data_53910 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53910 _Entry.Title ; Ignicoccus islandicus MDH assignment of backbone and sidechains through solution-state and MAS NMR ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2026-07-10 _Entry.Accession_date 2026-07-10 _Entry.Last_release_date 2026-07-10 _Entry.Original_release_date 2026-07-10 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'solution and solid state (MAS)' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details ; MAS NMR enabled backbone assignment through 1H- and 13C-detected experiments. This served as a starting point for the assignment of sidechains of methyl-harboring residues. ; _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Federico Napoli . . . 0000-0002-9043-136X 53910 2 Paul Schanda . . . 0000-0002-9350-7606 53910 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 53910 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 1137 53910 '15N chemical shifts' 278 53910 '1H chemical shifts' 732 53910 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 . . 2026-07-23 . original BMRB . 53910 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53910 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Ignicoccus islandicus MDH assignment of backbone and sidechains through solution-state and MAS NMR ; _Citation.Status 'in preparation' _Citation.Type 'BMRB only' _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Federico Napoli . . . . 53910 1 2 Paul Schanda . . . . 53910 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53910 _Assembly.ID 1 _Assembly.Name homotetramer _Assembly.BMRB_code . _Assembly.Number_of_components 4 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states yes _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 'Ignicoccus islandicus malate dehydrogenase, chain 1' 1 $entity_1 . . yes 'solution and sedimented' yes no . . . 53910 1 2 'Ignicoccus islandicus malate dehydrogenase, chain 2' 1 $entity_1 . . yes 'solution and sedimented' yes no . . . 53910 1 3 'Ignicoccus islandicus malate dehydrogenase, chain 3' 1 $entity_1 . . yes 'solution and sedimented' yes no . . . 53910 1 4 'Ignicoccus islandicus malate dehydrogenase, chain 4' 1 $entity_1 . . yes 'solution and sedimented' yes no . . . 53910 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 6QSS . . X-ray 1.89 . . 53910 1 yes UniprotKB A0A0U3FQH7 . . . . . . 53910 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'malate dehydrogenase (classification: OXIDOREDUCTASE)' 53910 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53910 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MARIPYKVAVIGTGRVGATF AYTMAVVPGIARMTLVDVVP GLAKGVMEDIKHAAAVFRRS ITVEAFEDVSKVENADAIVI TAGKPRKADMSRRDLANVNA QIIRDIGDKLRDRNPGALYV VVTNPVDVMTMVLDDVIGSK GTVIGTGTSLDTFRFRAAVS ELLNVPIVAVDGYVVGEHGE EAFVAWSTVTIKGIHIDQYI KERNINISREQIEKYVKDVA ASIIASQGATIWGPAATFQE IVVSHLANESKIIPISLPQN IEGVGRVAVSVPTIISGRLK PLVQLLNEEEQERLKRAAKA IRNVYESILT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _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 310 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 yes PDB 6QSS . 'Ignicoccus islandicus malate dehydrogenase (IiMDH)' . . . . . . . . . . . . . . 53910 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'malate dehydrogenase (Classification: OXIDOREDUCTASE)' 53910 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 . 53910 1 2 . ALA . 53910 1 3 . ARG . 53910 1 4 . ILE . 53910 1 5 . PRO . 53910 1 6 . TYR . 53910 1 7 . LYS . 53910 1 8 . VAL . 53910 1 9 . ALA . 53910 1 10 . VAL . 53910 1 11 . ILE . 53910 1 12 . GLY . 53910 1 13 . THR . 53910 1 14 . GLY . 53910 1 15 . ARG . 53910 1 16 . VAL . 53910 1 17 . GLY . 53910 1 18 . ALA . 53910 1 19 . THR . 53910 1 20 . PHE . 53910 1 21 . ALA . 53910 1 22 . TYR . 53910 1 23 . THR . 53910 1 24 . MET . 53910 1 25 . ALA . 53910 1 26 . VAL . 53910 1 27 . VAL . 53910 1 28 . PRO . 53910 1 29 . GLY . 53910 1 30 . ILE . 53910 1 31 . ALA . 53910 1 32 . ARG . 53910 1 33 . MET . 53910 1 34 . THR . 53910 1 35 . LEU . 53910 1 36 . VAL . 53910 1 37 . ASP . 53910 1 38 . VAL . 53910 1 39 . VAL . 53910 1 40 . PRO . 53910 1 41 . GLY . 53910 1 42 . LEU . 53910 1 43 . ALA . 53910 1 44 . LYS . 53910 1 45 . GLY . 53910 1 46 . VAL . 53910 1 47 . MET . 53910 1 48 . GLU . 53910 1 49 . ASP . 53910 1 50 . ILE . 53910 1 51 . LYS . 53910 1 52 . HIS . 53910 1 53 . ALA . 53910 1 54 . ALA . 53910 1 55 . ALA . 53910 1 56 . VAL . 53910 1 57 . PHE . 53910 1 58 . ARG . 53910 1 59 . ARG . 53910 1 60 . SER . 53910 1 61 . ILE . 53910 1 62 . THR . 53910 1 63 . VAL . 53910 1 64 . GLU . 53910 1 65 . ALA . 53910 1 66 . PHE . 53910 1 67 . GLU . 53910 1 68 . ASP . 53910 1 69 . VAL . 53910 1 70 . SER . 53910 1 71 . LYS . 53910 1 72 . VAL . 53910 1 73 . GLU . 53910 1 74 . ASN . 53910 1 75 . ALA . 53910 1 76 . ASP . 53910 1 77 . ALA . 53910 1 78 . ILE . 53910 1 79 . VAL . 53910 1 80 . ILE . 53910 1 81 . THR . 53910 1 82 . ALA . 53910 1 83 . GLY . 53910 1 84 . LYS . 53910 1 85 . PRO . 53910 1 86 . ARG . 53910 1 87 . LYS . 53910 1 88 . ALA . 53910 1 89 . ASP . 53910 1 90 . MET . 53910 1 91 . SER . 53910 1 92 . ARG . 53910 1 93 . ARG . 53910 1 94 . ASP . 53910 1 95 . LEU . 53910 1 96 . ALA . 53910 1 97 . ASN . 53910 1 98 . VAL . 53910 1 99 . ASN . 53910 1 100 . ALA . 53910 1 101 . GLN . 53910 1 102 . ILE . 53910 1 103 . ILE . 53910 1 104 . ARG . 53910 1 105 . ASP . 53910 1 106 . ILE . 53910 1 107 . GLY . 53910 1 108 . ASP . 53910 1 109 . LYS . 53910 1 110 . LEU . 53910 1 111 . ARG . 53910 1 112 . ASP . 53910 1 113 . ARG . 53910 1 114 . ASN . 53910 1 115 . PRO . 53910 1 116 . GLY . 53910 1 117 . ALA . 53910 1 118 . LEU . 53910 1 119 . TYR . 53910 1 120 . VAL . 53910 1 121 . VAL . 53910 1 122 . VAL . 53910 1 123 . THR . 53910 1 124 . ASN . 53910 1 125 . PRO . 53910 1 126 . VAL . 53910 1 127 . ASP . 53910 1 128 . VAL . 53910 1 129 . MET . 53910 1 130 . THR . 53910 1 131 . MET . 53910 1 132 . VAL . 53910 1 133 . LEU . 53910 1 134 . ASP . 53910 1 135 . ASP . 53910 1 136 . VAL . 53910 1 137 . ILE . 53910 1 138 . GLY . 53910 1 139 . SER . 53910 1 140 . LYS . 53910 1 141 . GLY . 53910 1 142 . THR . 53910 1 143 . VAL . 53910 1 144 . ILE . 53910 1 145 . GLY . 53910 1 146 . THR . 53910 1 147 . GLY . 53910 1 148 . THR . 53910 1 149 . SER . 53910 1 150 . LEU . 53910 1 151 . ASP . 53910 1 152 . THR . 53910 1 153 . PHE . 53910 1 154 . ARG . 53910 1 155 . PHE . 53910 1 156 . ARG . 53910 1 157 . ALA . 53910 1 158 . ALA . 53910 1 159 . VAL . 53910 1 160 . SER . 53910 1 161 . GLU . 53910 1 162 . LEU . 53910 1 163 . LEU . 53910 1 164 . ASN . 53910 1 165 . VAL . 53910 1 166 . PRO . 53910 1 167 . ILE . 53910 1 168 . VAL . 53910 1 169 . ALA . 53910 1 170 . VAL . 53910 1 171 . ASP . 53910 1 172 . GLY . 53910 1 173 . TYR . 53910 1 174 . VAL . 53910 1 175 . VAL . 53910 1 176 . GLY . 53910 1 177 . GLU . 53910 1 178 . HIS . 53910 1 179 . GLY . 53910 1 180 . GLU . 53910 1 181 . GLU . 53910 1 182 . ALA . 53910 1 183 . PHE . 53910 1 184 . VAL . 53910 1 185 . ALA . 53910 1 186 . TRP . 53910 1 187 . SER . 53910 1 188 . THR . 53910 1 189 . VAL . 53910 1 190 . THR . 53910 1 191 . ILE . 53910 1 192 . LYS . 53910 1 193 . GLY . 53910 1 194 . ILE . 53910 1 195 . HIS . 53910 1 196 . ILE . 53910 1 197 . ASP . 53910 1 198 . GLN . 53910 1 199 . TYR . 53910 1 200 . ILE . 53910 1 201 . LYS . 53910 1 202 . GLU . 53910 1 203 . ARG . 53910 1 204 . ASN . 53910 1 205 . ILE . 53910 1 206 . ASN . 53910 1 207 . ILE . 53910 1 208 . SER . 53910 1 209 . ARG . 53910 1 210 . GLU . 53910 1 211 . GLN . 53910 1 212 . ILE . 53910 1 213 . GLU . 53910 1 214 . LYS . 53910 1 215 . TYR . 53910 1 216 . VAL . 53910 1 217 . LYS . 53910 1 218 . ASP . 53910 1 219 . VAL . 53910 1 220 . ALA . 53910 1 221 . ALA . 53910 1 222 . SER . 53910 1 223 . ILE . 53910 1 224 . ILE . 53910 1 225 . ALA . 53910 1 226 . SER . 53910 1 227 . GLN . 53910 1 228 . GLY . 53910 1 229 . ALA . 53910 1 230 . THR . 53910 1 231 . ILE . 53910 1 232 . TRP . 53910 1 233 . GLY . 53910 1 234 . PRO . 53910 1 235 . ALA . 53910 1 236 . ALA . 53910 1 237 . THR . 53910 1 238 . PHE . 53910 1 239 . GLN . 53910 1 240 . GLU . 53910 1 241 . ILE . 53910 1 242 . VAL . 53910 1 243 . VAL . 53910 1 244 . SER . 53910 1 245 . HIS . 53910 1 246 . LEU . 53910 1 247 . ALA . 53910 1 248 . ASN . 53910 1 249 . GLU . 53910 1 250 . SER . 53910 1 251 . LYS . 53910 1 252 . ILE . 53910 1 253 . ILE . 53910 1 254 . PRO . 53910 1 255 . ILE . 53910 1 256 . SER . 53910 1 257 . LEU . 53910 1 258 . PRO . 53910 1 259 . GLN . 53910 1 260 . ASN . 53910 1 261 . ILE . 53910 1 262 . GLU . 53910 1 263 . GLY . 53910 1 264 . VAL . 53910 1 265 . GLY . 53910 1 266 . ARG . 53910 1 267 . VAL . 53910 1 268 . ALA . 53910 1 269 . VAL . 53910 1 270 . SER . 53910 1 271 . VAL . 53910 1 272 . PRO . 53910 1 273 . THR . 53910 1 274 . ILE . 53910 1 275 . ILE . 53910 1 276 . SER . 53910 1 277 . GLY . 53910 1 278 . ARG . 53910 1 279 . LEU . 53910 1 280 . LYS . 53910 1 281 . PRO . 53910 1 282 . LEU . 53910 1 283 . VAL . 53910 1 284 . GLN . 53910 1 285 . LEU . 53910 1 286 . LEU . 53910 1 287 . ASN . 53910 1 288 . GLU . 53910 1 289 . GLU . 53910 1 290 . GLU . 53910 1 291 . GLN . 53910 1 292 . GLU . 53910 1 293 . ARG . 53910 1 294 . LEU . 53910 1 295 . LYS . 53910 1 296 . ARG . 53910 1 297 . ALA . 53910 1 298 . ALA . 53910 1 299 . LYS . 53910 1 300 . ALA . 53910 1 301 . ILE . 53910 1 302 . ARG . 53910 1 303 . ASN . 53910 1 304 . VAL . 53910 1 305 . TYR . 53910 1 306 . GLU . 53910 1 307 . SER . 53910 1 308 . ILE . 53910 1 309 . LEU . 53910 1 310 . THR . 53910 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 53910 1 . ALA 2 2 53910 1 . ARG 3 3 53910 1 . ILE 4 4 53910 1 . PRO 5 5 53910 1 . TYR 6 6 53910 1 . LYS 7 7 53910 1 . VAL 8 8 53910 1 . ALA 9 9 53910 1 . VAL 10 10 53910 1 . ILE 11 11 53910 1 . GLY 12 12 53910 1 . THR 13 13 53910 1 . GLY 14 14 53910 1 . ARG 15 15 53910 1 . VAL 16 16 53910 1 . GLY 17 17 53910 1 . ALA 18 18 53910 1 . THR 19 19 53910 1 . PHE 20 20 53910 1 . ALA 21 21 53910 1 . TYR 22 22 53910 1 . THR 23 23 53910 1 . MET 24 24 53910 1 . ALA 25 25 53910 1 . VAL 26 26 53910 1 . VAL 27 27 53910 1 . PRO 28 28 53910 1 . GLY 29 29 53910 1 . ILE 30 30 53910 1 . ALA 31 31 53910 1 . ARG 32 32 53910 1 . MET 33 33 53910 1 . THR 34 34 53910 1 . LEU 35 35 53910 1 . VAL 36 36 53910 1 . ASP 37 37 53910 1 . VAL 38 38 53910 1 . VAL 39 39 53910 1 . PRO 40 40 53910 1 . GLY 41 41 53910 1 . LEU 42 42 53910 1 . ALA 43 43 53910 1 . LYS 44 44 53910 1 . GLY 45 45 53910 1 . VAL 46 46 53910 1 . MET 47 47 53910 1 . GLU 48 48 53910 1 . ASP 49 49 53910 1 . ILE 50 50 53910 1 . LYS 51 51 53910 1 . HIS 52 52 53910 1 . ALA 53 53 53910 1 . ALA 54 54 53910 1 . ALA 55 55 53910 1 . VAL 56 56 53910 1 . PHE 57 57 53910 1 . ARG 58 58 53910 1 . ARG 59 59 53910 1 . SER 60 60 53910 1 . ILE 61 61 53910 1 . THR 62 62 53910 1 . VAL 63 63 53910 1 . GLU 64 64 53910 1 . ALA 65 65 53910 1 . PHE 66 66 53910 1 . GLU 67 67 53910 1 . ASP 68 68 53910 1 . VAL 69 69 53910 1 . SER 70 70 53910 1 . LYS 71 71 53910 1 . VAL 72 72 53910 1 . GLU 73 73 53910 1 . ASN 74 74 53910 1 . ALA 75 75 53910 1 . ASP 76 76 53910 1 . ALA 77 77 53910 1 . ILE 78 78 53910 1 . VAL 79 79 53910 1 . ILE 80 80 53910 1 . THR 81 81 53910 1 . ALA 82 82 53910 1 . GLY 83 83 53910 1 . LYS 84 84 53910 1 . PRO 85 85 53910 1 . ARG 86 86 53910 1 . LYS 87 87 53910 1 . ALA 88 88 53910 1 . ASP 89 89 53910 1 . MET 90 90 53910 1 . SER 91 91 53910 1 . ARG 92 92 53910 1 . ARG 93 93 53910 1 . ASP 94 94 53910 1 . LEU 95 95 53910 1 . ALA 96 96 53910 1 . ASN 97 97 53910 1 . VAL 98 98 53910 1 . ASN 99 99 53910 1 . ALA 100 100 53910 1 . GLN 101 101 53910 1 . ILE 102 102 53910 1 . ILE 103 103 53910 1 . ARG 104 104 53910 1 . ASP 105 105 53910 1 . ILE 106 106 53910 1 . GLY 107 107 53910 1 . ASP 108 108 53910 1 . LYS 109 109 53910 1 . LEU 110 110 53910 1 . ARG 111 111 53910 1 . ASP 112 112 53910 1 . ARG 113 113 53910 1 . ASN 114 114 53910 1 . PRO 115 115 53910 1 . GLY 116 116 53910 1 . ALA 117 117 53910 1 . LEU 118 118 53910 1 . TYR 119 119 53910 1 . VAL 120 120 53910 1 . VAL 121 121 53910 1 . VAL 122 122 53910 1 . THR 123 123 53910 1 . ASN 124 124 53910 1 . PRO 125 125 53910 1 . VAL 126 126 53910 1 . ASP 127 127 53910 1 . VAL 128 128 53910 1 . MET 129 129 53910 1 . THR 130 130 53910 1 . MET 131 131 53910 1 . VAL 132 132 53910 1 . LEU 133 133 53910 1 . ASP 134 134 53910 1 . ASP 135 135 53910 1 . VAL 136 136 53910 1 . ILE 137 137 53910 1 . GLY 138 138 53910 1 . SER 139 139 53910 1 . LYS 140 140 53910 1 . GLY 141 141 53910 1 . THR 142 142 53910 1 . VAL 143 143 53910 1 . ILE 144 144 53910 1 . GLY 145 145 53910 1 . THR 146 146 53910 1 . GLY 147 147 53910 1 . THR 148 148 53910 1 . SER 149 149 53910 1 . LEU 150 150 53910 1 . ASP 151 151 53910 1 . THR 152 152 53910 1 . PHE 153 153 53910 1 . ARG 154 154 53910 1 . PHE 155 155 53910 1 . ARG 156 156 53910 1 . ALA 157 157 53910 1 . ALA 158 158 53910 1 . VAL 159 159 53910 1 . SER 160 160 53910 1 . GLU 161 161 53910 1 . LEU 162 162 53910 1 . LEU 163 163 53910 1 . ASN 164 164 53910 1 . VAL 165 165 53910 1 . PRO 166 166 53910 1 . ILE 167 167 53910 1 . VAL 168 168 53910 1 . ALA 169 169 53910 1 . VAL 170 170 53910 1 . ASP 171 171 53910 1 . GLY 172 172 53910 1 . TYR 173 173 53910 1 . VAL 174 174 53910 1 . VAL 175 175 53910 1 . GLY 176 176 53910 1 . GLU 177 177 53910 1 . HIS 178 178 53910 1 . GLY 179 179 53910 1 . GLU 180 180 53910 1 . GLU 181 181 53910 1 . ALA 182 182 53910 1 . PHE 183 183 53910 1 . VAL 184 184 53910 1 . ALA 185 185 53910 1 . TRP 186 186 53910 1 . SER 187 187 53910 1 . THR 188 188 53910 1 . VAL 189 189 53910 1 . THR 190 190 53910 1 . ILE 191 191 53910 1 . LYS 192 192 53910 1 . GLY 193 193 53910 1 . ILE 194 194 53910 1 . HIS 195 195 53910 1 . ILE 196 196 53910 1 . ASP 197 197 53910 1 . GLN 198 198 53910 1 . TYR 199 199 53910 1 . ILE 200 200 53910 1 . LYS 201 201 53910 1 . GLU 202 202 53910 1 . ARG 203 203 53910 1 . ASN 204 204 53910 1 . ILE 205 205 53910 1 . ASN 206 206 53910 1 . ILE 207 207 53910 1 . SER 208 208 53910 1 . ARG 209 209 53910 1 . GLU 210 210 53910 1 . GLN 211 211 53910 1 . ILE 212 212 53910 1 . GLU 213 213 53910 1 . LYS 214 214 53910 1 . TYR 215 215 53910 1 . VAL 216 216 53910 1 . LYS 217 217 53910 1 . ASP 218 218 53910 1 . VAL 219 219 53910 1 . ALA 220 220 53910 1 . ALA 221 221 53910 1 . SER 222 222 53910 1 . ILE 223 223 53910 1 . ILE 224 224 53910 1 . ALA 225 225 53910 1 . SER 226 226 53910 1 . GLN 227 227 53910 1 . GLY 228 228 53910 1 . ALA 229 229 53910 1 . THR 230 230 53910 1 . ILE 231 231 53910 1 . TRP 232 232 53910 1 . GLY 233 233 53910 1 . PRO 234 234 53910 1 . ALA 235 235 53910 1 . ALA 236 236 53910 1 . THR 237 237 53910 1 . PHE 238 238 53910 1 . GLN 239 239 53910 1 . GLU 240 240 53910 1 . ILE 241 241 53910 1 . VAL 242 242 53910 1 . VAL 243 243 53910 1 . SER 244 244 53910 1 . HIS 245 245 53910 1 . LEU 246 246 53910 1 . ALA 247 247 53910 1 . ASN 248 248 53910 1 . GLU 249 249 53910 1 . SER 250 250 53910 1 . LYS 251 251 53910 1 . ILE 252 252 53910 1 . ILE 253 253 53910 1 . PRO 254 254 53910 1 . ILE 255 255 53910 1 . SER 256 256 53910 1 . LEU 257 257 53910 1 . PRO 258 258 53910 1 . GLN 259 259 53910 1 . ASN 260 260 53910 1 . ILE 261 261 53910 1 . GLU 262 262 53910 1 . GLY 263 263 53910 1 . VAL 264 264 53910 1 . GLY 265 265 53910 1 . ARG 266 266 53910 1 . VAL 267 267 53910 1 . ALA 268 268 53910 1 . VAL 269 269 53910 1 . SER 270 270 53910 1 . VAL 271 271 53910 1 . PRO 272 272 53910 1 . THR 273 273 53910 1 . ILE 274 274 53910 1 . ILE 275 275 53910 1 . SER 276 276 53910 1 . GLY 277 277 53910 1 . ARG 278 278 53910 1 . LEU 279 279 53910 1 . LYS 280 280 53910 1 . PRO 281 281 53910 1 . LEU 282 282 53910 1 . VAL 283 283 53910 1 . GLN 284 284 53910 1 . LEU 285 285 53910 1 . LEU 286 286 53910 1 . ASN 287 287 53910 1 . GLU 288 288 53910 1 . GLU 289 289 53910 1 . GLU 290 290 53910 1 . GLN 291 291 53910 1 . GLU 292 292 53910 1 . ARG 293 293 53910 1 . LEU 294 294 53910 1 . LYS 295 295 53910 1 . ARG 296 296 53910 1 . ALA 297 297 53910 1 . ALA 298 298 53910 1 . LYS 299 299 53910 1 . ALA 300 300 53910 1 . ILE 301 301 53910 1 . ARG 302 302 53910 1 . ASN 303 303 53910 1 . VAL 304 304 53910 1 . TYR 305 305 53910 1 . GLU 306 306 53910 1 . SER 307 307 53910 1 . ILE 308 308 53910 1 . LEU 309 309 53910 1 . THR 310 310 53910 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 53910 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 54259 organism . 'Ignicoccus islandicus' 'Ignicoccus islandicus' . . . Thermoproteati Ignicoccus islandicus . . . . . . . . . . . . . 53910 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 53910 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 Star (DE3)' 'BL21 Star (DE3)' . plasmid . . pET-20b . . . 53910 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53910 _Sample.ID 1 _Sample.Name 'IiMDH 2H13C15N' _Sample.Type sediment _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% H2O' _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 TRIS 'natural abundance' . . . . . . 50 . . mM . . . . 53910 1 2 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 53910 1 3 entity_1 '[U-2H; U-13C; U-15N]' . . 1 $entity_1 . . . . . mM . . . . 53910 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 53910 _Sample.ID 2 _Sample.Name 'IiMDH 1H13C15N' _Sample.Type sediment _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% H2O' _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 TRIS 'natural abundance' . . . . . . 50 . . mM . . . . 53910 2 2 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 53910 2 3 entity_1 '[U-13C; U-15N]' . . 1 $entity_1 . . . . . mM . . . . 53910 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 53910 _Sample.ID 3 _Sample.Name 'IiMDH 2H13C15N refolded' _Sample.Type sediment _Sample.Sub_type . _Sample.Details 'The protein was unfolded and refolded to obtain full re-protonation of amide sites' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% H2O' _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 TRIS 'natural abundance' . . . . . . 50 . . mM . . . . 53910 3 2 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 53910 3 3 entity_1 '[U-2H; U-13C; U-15N]' . . 1 $entity_1 . . . . . mM . . . . 53910 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 53910 _Sample.ID 4 _Sample.Name 'IiMDH 2H13C15N alpha-ketoisovalarate' _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1H13C for Leu-d1/d2 and Val-g1/g2 12C for Leu-g and Val-b ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '96.25% H2O/3.75% 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 TRIS 'natural abundance' . . . . . . 50 . . mM . . . . 53910 4 2 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 53910 4 3 entity_1 '[U-2H; U-13C; U-15N]' . . 1 $entity_1 . . . . . mM . . . . 53910 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 53910 _Sample.ID 5 _Sample.Name 'IiMDH 2H12C15N linear spin systems' _Sample.Type solution _Sample.Sub_type . _Sample.Details ; Labelling pattern resulting in two kinds of molecules with linear spin systems from the methyl group to other carbons in the side chain, and deuteration everywhere except at a single methyl group. One type of pattern connects the methyl to the backbone (Val: g1 - b- a; Leu: d1 - g- b; Ile: d1 - g1 - b), while the other connects the two methyls (Val: g2 - b- g1; Leu d2- g- d1'). ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '96.25% H2O/3.75% 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 TRIS 'natural abundance' . . . . . . 50 . . mM . . . . 53910 5 2 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 53910 5 3 entity_1 '[U-2H; U-15N]' . . 1 $entity_1 . . . . . mM . . . . 53910 5 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 53910 _Sample.ID 6 _Sample.Name 'IiMDH 2H12C15N TLAM-Id1LV-proS' _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Ile: d1, Leu: d2, Val: g2' _Sample.Aggregate_sample_number . _Sample.Solvent_system '96.25% H2O/3.75% 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 TRIS 'natural abundance' . . . . . . 50 . . mM . . . . 53910 6 2 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 53910 6 3 entity_1 '[U-2H; U-15N]' . . 1 $entity_1 . . . . . mM . . . . 53910 6 stop_ save_ save_sample_7 _Sample.Sf_category sample _Sample.Sf_framecode sample_7 _Sample.Entry_ID 53910 _Sample.ID 7 _Sample.Name 'IiMDH 2H12C15N TLAM-Id1MeTg' _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Ile: d1, Met: e, Thr: g2' _Sample.Aggregate_sample_number . _Sample.Solvent_system '96.25% H2O/3.75% 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 TRIS 'natural abundance' . . . . . . 50 . . mM . . . . 53910 7 2 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 53910 7 3 entity_1 '[U-2H; U-15N]' . . 1 $entity_1 . . . . . mM . . . . 53910 7 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 53910 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Sample conditions' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7 . pH 53910 1 temperature 318.5 . K 53910 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53910 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 53910 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 53910 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '700 MHz' _NMR_spectrometer.Details 'equipped with a 1.9 mm HXY MAS probe tuned to 1H, 13C and 15N - MAS 1H detection' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model NEO _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 53910 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name '600 MHz' _NMR_spectrometer.Details 'equipped with a CPMAS CryoProbe - MAS 13C detection' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model NEO _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 53910 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name '800 MHz' _NMR_spectrometer.Details 'equipped with a TCI 1H/13C/15N 5 mm cryoprobe - solution NMR' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 53910 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '4D CANCOCX' no . . . . . . . . . . . . 7 $sample_7 anisotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 53910 1 2 '4D CONCACX' no . . . . . . . . . . . . 7 $sample_7 anisotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 53910 1 3 '3D hcaCBcaNH' no . . . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53910 1 4 '4D hcaCBcaCONH' no . . . . . . . . . . . . 2 $sample_2 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53910 1 5 '4D hcaCBCANH' no . . . . . . . . . . . . 2 $sample_2 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53910 1 6 '4D hCACONH' no . . . . . . . . . . . . 2 $sample_2 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53910 1 7 '3D hCANH' no . . . . . . . . . . . . 2 $sample_2 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53910 1 8 '4D hCOCANH' no . . . . . . . . . . . . 2 $sample_2 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53910 1 9 '3D hCONH' no . . . . . . . . . . . . 2 $sample_2 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53910 1 10 '4D hNCAcoNH' no . . . . . . . . . . . . 2 $sample_2 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53910 1 11 '3D hNcocaNH' no . . . . . . . . . . . . 2 $sample_2 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53910 1 12 '2D 1H-13C HMQC' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 53910 1 13 '2D 1H-13C HMQC' no . . . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 53910 1 14 '2D 1H-13C HMQC' no . . . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 53910 1 15 '3D HMCB-CC-HMQC' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 53910 1 16 '3D H-C-C TOCSY' no . . . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . '3 different mixing times (L2, L3, L4)' 53910 1 stop_ loop_ _Experiment_file.Experiment_ID _Experiment_file.Experiment_name _Experiment_file.Name _Experiment_file.Type _Experiment_file.Content _Experiment_file.Directory_path _Experiment_file.Details _Experiment_file.Entry_ID _Experiment_file.Experiment_list_ID 1 '4D CANCOCX' backbone_solids . 'Other kind of data' . . 53910 1 12 '2D 1H-13C HMQC' methyls_solution . 'Other kind of data' . . 53910 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 53910 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DSS _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 internal indirect . . . . . . 53910 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 53910 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect . . . . . . 53910 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 53910 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'IiMDH chemical shifts' _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '4D CANCOCX' . . . 53910 1 2 '4D CONCACX' . . . 53910 1 3 '3D hcaCBcaNH' . . . 53910 1 4 '4D hcaCBcaCONH' . . . 53910 1 5 '4D hcaCBCANH' . . . 53910 1 6 '4D hCACONH' . . . 53910 1 7 '3D hCANH' . . . 53910 1 8 '4D hCOCANH' . . . 53910 1 9 '3D hCONH' . . . 53910 1 10 '4D hNCAcoNH' . . . 53910 1 11 '3D hNcocaNH' . . . 53910 1 12 '2D 1H-13C HMQC' . . . 53910 1 13 '2D 1H-13C HMQC' . . . 53910 1 14 '2D 1H-13C HMQC' . . . 53910 1 15 '3D HMCB-CC-HMQC' . . . 53910 1 16 '3D H-C-C TOCSY' . . . 53910 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 53910 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 MET HE1 H 1 2.0227 0.0000 . 1 . . . . . 1 MET HE . 53910 1 2 . 1 . 1 1 1 MET HE2 H 1 2.0227 0.0000 . 1 . . . . . 1 MET HE . 53910 1 3 . 1 . 1 1 1 MET HE3 H 1 2.0227 0.0000 . 1 . . . . . 1 MET HE . 53910 1 4 . 1 . 1 1 1 MET CE C 13 20.8084 0.0000 . 1 . . . . . 1 MET CE . 53910 1 5 . 1 . 1 3 3 ARG H H 1 8.3880 0.0057 . 1 . . . . . 3 ARG H . 53910 1 6 . 1 . 1 3 3 ARG C C 13 176.7014 0.0688 . 1 . . . . . 3 ARG C . 53910 1 7 . 1 . 1 3 3 ARG CA C 13 56.8613 0.1134 . 1 . . . . . 3 ARG CA . 53910 1 8 . 1 . 1 3 3 ARG CB C 13 30.1305 0.0106 . 1 . . . . . 3 ARG CB . 53910 1 9 . 1 . 1 3 3 ARG N N 15 119.8830 0.0925 . 1 . . . . . 3 ARG N . 53910 1 10 . 1 . 1 4 4 ILE H H 1 7.6567 0.0158 . 1 . . . . . 4 ILE H . 53910 1 11 . 1 . 1 4 4 ILE HD11 H 1 0.5779 0.0074 . 1 . . . . . 4 ILE HD1 . 53910 1 12 . 1 . 1 4 4 ILE HD12 H 1 0.5779 0.0074 . 1 . . . . . 4 ILE HD1 . 53910 1 13 . 1 . 1 4 4 ILE HD13 H 1 0.5779 0.0074 . 1 . . . . . 4 ILE HD1 . 53910 1 14 . 1 . 1 4 4 ILE C C 13 177.3390 0.2715 . 1 . . . . . 4 ILE C . 53910 1 15 . 1 . 1 4 4 ILE CA C 13 55.9254 1.4966 . 1 . . . . . 4 ILE CA . 53910 1 16 . 1 . 1 4 4 ILE CB C 13 34.4815 0.5989 . 1 . . . . . 4 ILE CB . 53910 1 17 . 1 . 1 4 4 ILE CG1 C 13 24.6532 0.0000 . 1 . . . . . 4 ILE CG1 . 53910 1 18 . 1 . 1 4 4 ILE CD1 C 13 15.0075 0.0340 . 1 . . . . . 4 ILE CD1 . 53910 1 19 . 1 . 1 4 4 ILE N N 15 127.7768 0.1129 . 1 . . . . . 4 ILE N . 53910 1 20 . 1 . 1 6 6 TYR H H 1 5.6720 0.0099 . 1 . . . . . 6 TYR H . 53910 1 21 . 1 . 1 6 6 TYR C C 13 172.9745 0.1268 . 1 . . . . . 6 TYR C . 53910 1 22 . 1 . 1 6 6 TYR CA C 13 57.8018 0.1123 . 1 . . . . . 6 TYR CA . 53910 1 23 . 1 . 1 6 6 TYR CB C 13 40.1220 0.0467 . 1 . . . . . 6 TYR CB . 53910 1 24 . 1 . 1 6 6 TYR N N 15 119.4730 0.1448 . 1 . . . . . 6 TYR N . 53910 1 25 . 1 . 1 7 7 LYS H H 1 9.8828 0.0117 . 1 . . . . . 7 LYS H . 53910 1 26 . 1 . 1 7 7 LYS C C 13 176.0608 0.1349 . 1 . . . . . 7 LYS C . 53910 1 27 . 1 . 1 7 7 LYS CA C 13 55.4282 0.1412 . 1 . . . . . 7 LYS CA . 53910 1 28 . 1 . 1 7 7 LYS CB C 13 35.5960 0.6857 . 1 . . . . . 7 LYS CB . 53910 1 29 . 1 . 1 7 7 LYS CG C 13 25.5375 0.2058 . 1 . . . . . 7 LYS CG . 53910 1 30 . 1 . 1 7 7 LYS N N 15 122.1143 0.4775 . 1 . . . . . 7 LYS N . 53910 1 31 . 1 . 1 8 8 VAL H H 1 8.0030 0.0035 . 1 . . . . . 8 VAL H . 53910 1 32 . 1 . 1 8 8 VAL HG21 H 1 0.9847 0.0000 . 1 . . . . . 8 VAL HG2 . 53910 1 33 . 1 . 1 8 8 VAL HG22 H 1 0.9847 0.0000 . 1 . . . . . 8 VAL HG2 . 53910 1 34 . 1 . 1 8 8 VAL HG23 H 1 0.9847 0.0000 . 1 . . . . . 8 VAL HG2 . 53910 1 35 . 1 . 1 8 8 VAL C C 13 174.6400 0.0745 . 1 . . . . . 8 VAL C . 53910 1 36 . 1 . 1 8 8 VAL CA C 13 60.3515 0.1211 . 1 . . . . . 8 VAL CA . 53910 1 37 . 1 . 1 8 8 VAL CB C 13 34.3780 0.5538 . 1 . . . . . 8 VAL CB . 53910 1 38 . 1 . 1 8 8 VAL CG1 C 13 21.0905 0.2708 . 1 . . . . . 8 VAL CG1 . 53910 1 39 . 1 . 1 8 8 VAL CG2 C 13 21.7077 0.0000 . 1 . . . . . 8 VAL CG2 . 53910 1 40 . 1 . 1 8 8 VAL N N 15 127.5925 0.1255 . 1 . . . . . 8 VAL N . 53910 1 41 . 1 . 1 9 9 ALA H H 1 9.3072 0.0085 . 1 . . . . . 9 ALA H . 53910 1 42 . 1 . 1 9 9 ALA C C 13 175.7267 0.0680 . 1 . . . . . 9 ALA C . 53910 1 43 . 1 . 1 9 9 ALA CA C 13 48.8256 0.1174 . 1 . . . . . 9 ALA CA . 53910 1 44 . 1 . 1 9 9 ALA CB C 13 22.8567 0.6320 . 1 . . . . . 9 ALA CB . 53910 1 45 . 1 . 1 9 9 ALA N N 15 128.3275 0.1135 . 1 . . . . . 9 ALA N . 53910 1 46 . 1 . 1 10 10 VAL H H 1 9.0358 0.0124 . 1 . . . . . 10 VAL H . 53910 1 47 . 1 . 1 10 10 VAL HG11 H 1 0.9599 0.0119 . 2 . . . . . 10 VAL HG1 . 53910 1 48 . 1 . 1 10 10 VAL HG12 H 1 0.9599 0.0119 . 2 . . . . . 10 VAL HG1 . 53910 1 49 . 1 . 1 10 10 VAL HG13 H 1 0.9599 0.0119 . 2 . . . . . 10 VAL HG1 . 53910 1 50 . 1 . 1 10 10 VAL HG21 H 1 0.9318 0.0006 . 2 . . . . . 10 VAL HG2 . 53910 1 51 . 1 . 1 10 10 VAL HG22 H 1 0.9318 0.0006 . 2 . . . . . 10 VAL HG2 . 53910 1 52 . 1 . 1 10 10 VAL HG23 H 1 0.9318 0.0006 . 2 . . . . . 10 VAL HG2 . 53910 1 53 . 1 . 1 10 10 VAL C C 13 174.0153 0.0707 . 1 . . . . . 10 VAL C . 53910 1 54 . 1 . 1 10 10 VAL CA C 13 60.9725 0.4744 . 1 . . . . . 10 VAL CA . 53910 1 55 . 1 . 1 10 10 VAL CB C 13 33.9935 0.6447 . 1 . . . . . 10 VAL CB . 53910 1 56 . 1 . 1 10 10 VAL CG1 C 13 21.1824 0.1244 . 2 . . . . . 10 VAL CG1 . 53910 1 57 . 1 . 1 10 10 VAL CG2 C 13 22.8948 0.1992 . 2 . . . . . 10 VAL CG2 . 53910 1 58 . 1 . 1 10 10 VAL N N 15 122.7855 0.1588 . 1 . . . . . 10 VAL N . 53910 1 59 . 1 . 1 11 11 ILE H H 1 9.2136 0.0132 . 1 . . . . . 11 ILE H . 53910 1 60 . 1 . 1 11 11 ILE HD11 H 1 0.6556 0.0035 . 1 . . . . . 11 ILE HD1 . 53910 1 61 . 1 . 1 11 11 ILE HD12 H 1 0.6556 0.0035 . 1 . . . . . 11 ILE HD1 . 53910 1 62 . 1 . 1 11 11 ILE HD13 H 1 0.6556 0.0035 . 1 . . . . . 11 ILE HD1 . 53910 1 63 . 1 . 1 11 11 ILE C C 13 175.6003 0.0900 . 1 . . . . . 11 ILE C . 53910 1 64 . 1 . 1 11 11 ILE CA C 13 59.2344 0.1532 . 1 . . . . . 11 ILE CA . 53910 1 65 . 1 . 1 11 11 ILE CB C 13 35.0293 0.6053 . 1 . . . . . 11 ILE CB . 53910 1 66 . 1 . 1 11 11 ILE CG1 C 13 27.2031 0.3229 . 1 . . . . . 11 ILE CG1 . 53910 1 67 . 1 . 1 11 11 ILE CG2 C 13 18.0075 0.2227 . 1 . . . . . 11 ILE CG2 . 53910 1 68 . 1 . 1 11 11 ILE CD1 C 13 11.2827 0.1060 . 1 . . . . . 11 ILE CD1 . 53910 1 69 . 1 . 1 11 11 ILE N N 15 126.1061 0.1394 . 1 . . . . . 11 ILE N . 53910 1 70 . 1 . 1 12 12 GLY H H 1 9.4140 0.0220 . 1 . . . . . 12 GLY H . 53910 1 71 . 1 . 1 12 12 GLY C C 13 174.0147 0.1564 . 1 . . . . . 12 GLY C . 53910 1 72 . 1 . 1 12 12 GLY CA C 13 45.1816 0.1040 . 1 . . . . . 12 GLY CA . 53910 1 73 . 1 . 1 12 12 GLY N N 15 122.3622 0.0847 . 1 . . . . . 12 GLY N . 53910 1 74 . 1 . 1 13 13 THR H H 1 10.6320 0.0275 . 1 . . . . . 13 THR H . 53910 1 75 . 1 . 1 13 13 THR HG21 H 1 1.0135 0.0000 . 1 . . . . . 13 THR HG2 . 53910 1 76 . 1 . 1 13 13 THR HG22 H 1 1.0135 0.0000 . 1 . . . . . 13 THR HG2 . 53910 1 77 . 1 . 1 13 13 THR HG23 H 1 1.0135 0.0000 . 1 . . . . . 13 THR HG2 . 53910 1 78 . 1 . 1 13 13 THR C C 13 177.3915 0.1129 . 1 . . . . . 13 THR C . 53910 1 79 . 1 . 1 13 13 THR CA C 13 59.3209 0.1250 . 1 . . . . . 13 THR CA . 53910 1 80 . 1 . 1 13 13 THR CB C 13 68.7970 0.1576 . 1 . . . . . 13 THR CB . 53910 1 81 . 1 . 1 13 13 THR CG2 C 13 21.2170 0.4561 . 1 . . . . . 13 THR CG2 . 53910 1 82 . 1 . 1 13 13 THR N N 15 121.2062 0.1902 . 1 . . . . . 13 THR N . 53910 1 83 . 1 . 1 14 14 GLY H H 1 7.5388 0.0069 . 1 . . . . . 14 GLY H . 53910 1 84 . 1 . 1 14 14 GLY C C 13 173.6458 0.1296 . 1 . . . . . 14 GLY C . 53910 1 85 . 1 . 1 14 14 GLY CA C 13 44.8759 0.1100 . 1 . . . . . 14 GLY CA . 53910 1 86 . 1 . 1 14 14 GLY N N 15 108.6472 0.1575 . 1 . . . . . 14 GLY N . 53910 1 87 . 1 . 1 15 15 ARG H H 1 8.4832 0.0188 . 1 . . . . . 15 ARG H . 53910 1 88 . 1 . 1 15 15 ARG C C 13 180.1504 0.1015 . 1 . . . . . 15 ARG C . 53910 1 89 . 1 . 1 15 15 ARG CA C 13 61.4917 0.2004 . 1 . . . . . 15 ARG CA . 53910 1 90 . 1 . 1 15 15 ARG CB C 13 29.6755 0.6281 . 1 . . . . . 15 ARG CB . 53910 1 91 . 1 . 1 15 15 ARG CG C 13 27.5660 0.0000 . 1 . . . . . 15 ARG CG . 53910 1 92 . 1 . 1 15 15 ARG N N 15 117.6857 0.2802 . 1 . . . . . 15 ARG N . 53910 1 93 . 1 . 1 16 16 VAL H H 1 8.6340 0.0264 . 1 . . . . . 16 VAL H . 53910 1 94 . 1 . 1 16 16 VAL HG11 H 1 0.9717 0.0007 . 2 . . . . . 16 VAL HG1 . 53910 1 95 . 1 . 1 16 16 VAL HG12 H 1 0.9717 0.0007 . 2 . . . . . 16 VAL HG1 . 53910 1 96 . 1 . 1 16 16 VAL HG13 H 1 0.9717 0.0007 . 2 . . . . . 16 VAL HG1 . 53910 1 97 . 1 . 1 16 16 VAL HG21 H 1 1.0832 0.0012 . 2 . . . . . 16 VAL HG2 . 53910 1 98 . 1 . 1 16 16 VAL HG22 H 1 1.0832 0.0012 . 2 . . . . . 16 VAL HG2 . 53910 1 99 . 1 . 1 16 16 VAL HG23 H 1 1.0832 0.0012 . 2 . . . . . 16 VAL HG2 . 53910 1 100 . 1 . 1 16 16 VAL C C 13 177.8317 0.1169 . 1 . . . . . 16 VAL C . 53910 1 101 . 1 . 1 16 16 VAL CA C 13 67.0743 0.1320 . 1 . . . . . 16 VAL CA . 53910 1 102 . 1 . 1 16 16 VAL CB C 13 31.4770 0.6424 . 1 . . . . . 16 VAL CB . 53910 1 103 . 1 . 1 16 16 VAL CG1 C 13 21.2743 0.3072 . 2 . . . . . 16 VAL CG1 . 53910 1 104 . 1 . 1 16 16 VAL CG2 C 13 23.7316 0.0854 . 2 . . . . . 16 VAL CG2 . 53910 1 105 . 1 . 1 16 16 VAL N N 15 119.2643 0.3947 . 1 . . . . . 16 VAL N . 53910 1 106 . 1 . 1 17 17 GLY H H 1 8.1982 0.0214 . 1 . . . . . 17 GLY H . 53910 1 107 . 1 . 1 17 17 GLY C C 13 176.2682 0.1053 . 1 . . . . . 17 GLY C . 53910 1 108 . 1 . 1 17 17 GLY CA C 13 47.6230 0.1728 . 1 . . . . . 17 GLY CA . 53910 1 109 . 1 . 1 17 17 GLY N N 15 110.2720 0.1523 . 1 . . . . . 17 GLY N . 53910 1 110 . 1 . 1 18 18 ALA H H 1 9.2698 0.0174 . 1 . . . . . 18 ALA H . 53910 1 111 . 1 . 1 18 18 ALA C C 13 178.1706 0.1191 . 1 . . . . . 18 ALA C . 53910 1 112 . 1 . 1 18 18 ALA CA C 13 55.2627 0.1405 . 1 . . . . . 18 ALA CA . 53910 1 113 . 1 . 1 18 18 ALA CB C 13 20.1360 0.5970 . 1 . . . . . 18 ALA CB . 53910 1 114 . 1 . 1 18 18 ALA N N 15 123.0925 0.1200 . 1 . . . . . 18 ALA N . 53910 1 115 . 1 . 1 19 19 THR H H 1 7.5030 0.0231 . 1 . . . . . 19 THR H . 53910 1 116 . 1 . 1 19 19 THR HG21 H 1 0.9140 0.0000 . 1 . . . . . 19 THR HG2 . 53910 1 117 . 1 . 1 19 19 THR HG22 H 1 0.9140 0.0000 . 1 . . . . . 19 THR HG2 . 53910 1 118 . 1 . 1 19 19 THR HG23 H 1 0.9140 0.0000 . 1 . . . . . 19 THR HG2 . 53910 1 119 . 1 . 1 19 19 THR C C 13 179.2790 0.0679 . 1 . . . . . 19 THR C . 53910 1 120 . 1 . 1 19 19 THR CA C 13 66.2228 0.0968 . 1 . . . . . 19 THR CA . 53910 1 121 . 1 . 1 19 19 THR CB C 13 67.1510 1.1681 . 1 . . . . . 19 THR CB . 53910 1 122 . 1 . 1 19 19 THR CG2 C 13 23.8913 0.0159 . 1 . . . . . 19 THR CG2 . 53910 1 123 . 1 . 1 19 19 THR N N 15 113.8887 0.1352 . 1 . . . . . 19 THR N . 53910 1 124 . 1 . 1 20 20 PHE H H 1 8.3648 0.0413 . 1 . . . . . 20 PHE H . 53910 1 125 . 1 . 1 20 20 PHE C C 13 175.7402 0.1969 . 1 . . . . . 20 PHE C . 53910 1 126 . 1 . 1 20 20 PHE CA C 13 59.4036 0.2212 . 1 . . . . . 20 PHE CA . 53910 1 127 . 1 . 1 20 20 PHE CB C 13 38.2560 0.0184 . 1 . . . . . 20 PHE CB . 53910 1 128 . 1 . 1 20 20 PHE N N 15 126.9402 0.0997 . 1 . . . . . 20 PHE N . 53910 1 129 . 1 . 1 21 21 ALA H H 1 8.0486 0.0401 . 1 . . . . . 21 ALA H . 53910 1 130 . 1 . 1 21 21 ALA C C 13 178.5840 0.6902 . 1 . . . . . 21 ALA C . 53910 1 131 . 1 . 1 21 21 ALA CA C 13 55.4050 0.0960 . 1 . . . . . 21 ALA CA . 53910 1 132 . 1 . 1 21 21 ALA CB C 13 17.7275 0.3500 . 1 . . . . . 21 ALA CB . 53910 1 133 . 1 . 1 21 21 ALA N N 15 123.6145 0.1647 . 1 . . . . . 21 ALA N . 53910 1 134 . 1 . 1 22 22 TYR H H 1 7.8665 0.0177 . 1 . . . . . 22 TYR H . 53910 1 135 . 1 . 1 22 22 TYR N N 15 117.2655 0.1322 . 1 . . . . . 22 TYR N . 53910 1 136 . 1 . 1 23 23 THR HG21 H 1 1.1916 0.0000 . 1 . . . . . 23 THR HG2 . 53910 1 137 . 1 . 1 23 23 THR HG22 H 1 1.1916 0.0000 . 1 . . . . . 23 THR HG2 . 53910 1 138 . 1 . 1 23 23 THR HG23 H 1 1.1916 0.0000 . 1 . . . . . 23 THR HG2 . 53910 1 139 . 1 . 1 23 23 THR CG2 C 13 21.7443 0.0000 . 1 . . . . . 23 THR CG2 . 53910 1 140 . 1 . 1 24 24 MET H H 1 7.8470 0.0000 . 1 . . . . . 24 MET H . 53910 1 141 . 1 . 1 24 24 MET HE1 H 1 1.7690 0.0000 . 1 . . . . . 24 MET HE . 53910 1 142 . 1 . 1 24 24 MET HE2 H 1 1.7690 0.0000 . 1 . . . . . 24 MET HE . 53910 1 143 . 1 . 1 24 24 MET HE3 H 1 1.7690 0.0000 . 1 . . . . . 24 MET HE . 53910 1 144 . 1 . 1 24 24 MET C C 13 177.6913 0.0544 . 1 . . . . . 24 MET C . 53910 1 145 . 1 . 1 24 24 MET CA C 13 57.5503 0.0735 . 1 . . . . . 24 MET CA . 53910 1 146 . 1 . 1 24 24 MET CB C 13 34.3870 0.0000 . 1 . . . . . 24 MET CB . 53910 1 147 . 1 . 1 24 24 MET CE C 13 16.6970 0.0000 . 1 . . . . . 24 MET CE . 53910 1 148 . 1 . 1 24 24 MET N N 15 120.7035 0.1761 . 1 . . . . . 24 MET N . 53910 1 149 . 1 . 1 25 25 ALA H H 1 7.0647 0.0234 . 1 . . . . . 25 ALA H . 53910 1 150 . 1 . 1 25 25 ALA N N 15 119.3817 0.0194 . 1 . . . . . 25 ALA N . 53910 1 151 . 1 . 1 26 26 VAL HG21 H 1 0.0757 0.0000 . 1 . . . . . 26 VAL HG2 . 53910 1 152 . 1 . 1 26 26 VAL HG22 H 1 0.0757 0.0000 . 1 . . . . . 26 VAL HG2 . 53910 1 153 . 1 . 1 26 26 VAL HG23 H 1 0.0757 0.0000 . 1 . . . . . 26 VAL HG2 . 53910 1 154 . 1 . 1 26 26 VAL C C 13 173.3150 0.0000 . 1 . . . . . 26 VAL C . 53910 1 155 . 1 . 1 26 26 VAL CB C 13 32.0460 0.0000 . 1 . . . . . 26 VAL CB . 53910 1 156 . 1 . 1 26 26 VAL CG2 C 13 17.5610 0.0000 . 1 . . . . . 26 VAL CG2 . 53910 1 157 . 1 . 1 27 27 VAL H H 1 8.3170 0.0000 . 1 . . . . . 27 VAL H . 53910 1 158 . 1 . 1 27 27 VAL HG21 H 1 0.4569 0.0000 . 1 . . . . . 27 VAL HG2 . 53910 1 159 . 1 . 1 27 27 VAL HG22 H 1 0.4569 0.0000 . 1 . . . . . 27 VAL HG2 . 53910 1 160 . 1 . 1 27 27 VAL HG23 H 1 0.4569 0.0000 . 1 . . . . . 27 VAL HG2 . 53910 1 161 . 1 . 1 27 27 VAL C C 13 173.3980 0.0000 . 1 . . . . . 27 VAL C . 53910 1 162 . 1 . 1 27 27 VAL CA C 13 62.4230 0.0000 . 1 . . . . . 27 VAL CA . 53910 1 163 . 1 . 1 27 27 VAL CG2 C 13 22.0007 0.0000 . 1 . . . . . 27 VAL CG2 . 53910 1 164 . 1 . 1 27 27 VAL N N 15 128.3795 0.0106 . 1 . . . . . 27 VAL N . 53910 1 165 . 1 . 1 30 30 ILE HD11 H 1 0.8246 0.0000 . 1 . . . . . 30 ILE HD1 . 53910 1 166 . 1 . 1 30 30 ILE HD12 H 1 0.8246 0.0000 . 1 . . . . . 30 ILE HD1 . 53910 1 167 . 1 . 1 30 30 ILE HD13 H 1 0.8246 0.0000 . 1 . . . . . 30 ILE HD1 . 53910 1 168 . 1 . 1 30 30 ILE C C 13 176.0140 0.0000 . 1 . . . . . 30 ILE C . 53910 1 169 . 1 . 1 30 30 ILE CD1 C 13 13.1208 0.0000 . 1 . . . . . 30 ILE CD1 . 53910 1 170 . 1 . 1 31 31 ALA C C 13 175.7751 0.0520 . 1 . . . . . 31 ALA C . 53910 1 171 . 1 . 1 31 31 ALA CA C 13 51.1887 0.0253 . 1 . . . . . 31 ALA CA . 53910 1 172 . 1 . 1 31 31 ALA CB C 13 22.1260 0.0000 . 1 . . . . . 31 ALA CB . 53910 1 173 . 1 . 1 31 31 ALA N N 15 118.0360 0.0000 . 1 . . . . . 31 ALA N . 53910 1 174 . 1 . 1 32 32 ARG C C 13 174.7024 0.0845 . 1 . . . . . 32 ARG C . 53910 1 175 . 1 . 1 32 32 ARG CA C 13 55.4151 0.1465 . 1 . . . . . 32 ARG CA . 53910 1 176 . 1 . 1 32 32 ARG CB C 13 32.7620 0.7051 . 1 . . . . . 32 ARG CB . 53910 1 177 . 1 . 1 32 32 ARG N N 15 120.7343 0.0878 . 1 . . . . . 32 ARG N . 53910 1 178 . 1 . 1 33 33 MET H H 1 8.5040 0.0065 . 1 . . . . . 33 MET H . 53910 1 179 . 1 . 1 33 33 MET HE1 H 1 2.0769 0.0000 . 1 . . . . . 33 MET HE . 53910 1 180 . 1 . 1 33 33 MET HE2 H 1 2.0769 0.0000 . 1 . . . . . 33 MET HE . 53910 1 181 . 1 . 1 33 33 MET HE3 H 1 2.0769 0.0000 . 1 . . . . . 33 MET HE . 53910 1 182 . 1 . 1 33 33 MET C C 13 175.5649 0.0799 . 1 . . . . . 33 MET C . 53910 1 183 . 1 . 1 33 33 MET CA C 13 54.0018 0.1290 . 1 . . . . . 33 MET CA . 53910 1 184 . 1 . 1 33 33 MET CB C 13 37.8850 0.5655 . 1 . . . . . 33 MET CB . 53910 1 185 . 1 . 1 33 33 MET CE C 13 18.4242 0.0000 . 1 . . . . . 33 MET CE . 53910 1 186 . 1 . 1 33 33 MET N N 15 120.1011 0.1589 . 1 . . . . . 33 MET N . 53910 1 187 . 1 . 1 34 34 THR H H 1 8.7035 0.0102 . 1 . . . . . 34 THR H . 53910 1 188 . 1 . 1 34 34 THR HG21 H 1 1.3052 0.0000 . 1 . . . . . 34 THR HG2 . 53910 1 189 . 1 . 1 34 34 THR HG22 H 1 1.3052 0.0000 . 1 . . . . . 34 THR HG2 . 53910 1 190 . 1 . 1 34 34 THR HG23 H 1 1.3052 0.0000 . 1 . . . . . 34 THR HG2 . 53910 1 191 . 1 . 1 34 34 THR C C 13 172.7896 0.0810 . 1 . . . . . 34 THR C . 53910 1 192 . 1 . 1 34 34 THR CA C 13 62.1071 0.1613 . 1 . . . . . 34 THR CA . 53910 1 193 . 1 . 1 34 34 THR CB C 13 71.5657 0.1020 . 1 . . . . . 34 THR CB . 53910 1 194 . 1 . 1 34 34 THR CG2 C 13 24.0743 0.1643 . 1 . . . . . 34 THR CG2 . 53910 1 195 . 1 . 1 34 34 THR N N 15 121.1502 0.1583 . 1 . . . . . 34 THR N . 53910 1 196 . 1 . 1 35 35 LEU H H 1 9.3505 0.0114 . 1 . . . . . 35 LEU H . 53910 1 197 . 1 . 1 35 35 LEU HD11 H 1 0.7440 0.0153 . 2 . . . . . 35 LEU HD1 . 53910 1 198 . 1 . 1 35 35 LEU HD12 H 1 0.7440 0.0153 . 2 . . . . . 35 LEU HD1 . 53910 1 199 . 1 . 1 35 35 LEU HD13 H 1 0.7440 0.0153 . 2 . . . . . 35 LEU HD1 . 53910 1 200 . 1 . 1 35 35 LEU HD21 H 1 0.7361 0.0015 . 2 . . . . . 35 LEU HD2 . 53910 1 201 . 1 . 1 35 35 LEU HD22 H 1 0.7361 0.0015 . 2 . . . . . 35 LEU HD2 . 53910 1 202 . 1 . 1 35 35 LEU HD23 H 1 0.7361 0.0015 . 2 . . . . . 35 LEU HD2 . 53910 1 203 . 1 . 1 35 35 LEU C C 13 175.2475 0.1159 . 1 . . . . . 35 LEU C . 53910 1 204 . 1 . 1 35 35 LEU CA C 13 53.7528 0.1336 . 1 . . . . . 35 LEU CA . 53910 1 205 . 1 . 1 35 35 LEU CB C 13 43.0570 0.5339 . 1 . . . . . 35 LEU CB . 53910 1 206 . 1 . 1 35 35 LEU CD1 C 13 26.7396 1.3385 . 2 . . . . . 35 LEU CD1 . 53910 1 207 . 1 . 1 35 35 LEU CD2 C 13 24.2006 0.0223 . 2 . . . . . 35 LEU CD2 . 53910 1 208 . 1 . 1 35 35 LEU N N 15 128.7914 0.1340 . 1 . . . . . 35 LEU N . 53910 1 209 . 1 . 1 36 36 VAL H H 1 8.4954 0.0045 . 1 . . . . . 36 VAL H . 53910 1 210 . 1 . 1 36 36 VAL HG11 H 1 0.6229 0.0082 . 2 . . . . . 36 VAL HG1 . 53910 1 211 . 1 . 1 36 36 VAL HG12 H 1 0.6229 0.0082 . 2 . . . . . 36 VAL HG1 . 53910 1 212 . 1 . 1 36 36 VAL HG13 H 1 0.6229 0.0082 . 2 . . . . . 36 VAL HG1 . 53910 1 213 . 1 . 1 36 36 VAL HG21 H 1 0.7952 0.0007 . 2 . . . . . 36 VAL HG2 . 53910 1 214 . 1 . 1 36 36 VAL HG22 H 1 0.7952 0.0007 . 2 . . . . . 36 VAL HG2 . 53910 1 215 . 1 . 1 36 36 VAL HG23 H 1 0.7952 0.0007 . 2 . . . . . 36 VAL HG2 . 53910 1 216 . 1 . 1 36 36 VAL C C 13 175.1685 0.1034 . 1 . . . . . 36 VAL C . 53910 1 217 . 1 . 1 36 36 VAL CA C 13 59.8964 0.1919 . 1 . . . . . 36 VAL CA . 53910 1 218 . 1 . 1 36 36 VAL CB C 13 35.1605 0.5948 . 1 . . . . . 36 VAL CB . 53910 1 219 . 1 . 1 36 36 VAL CG1 C 13 21.2190 0.0988 . 2 . . . . . 36 VAL CG1 . 53910 1 220 . 1 . 1 36 36 VAL CG2 C 13 22.7763 0.1572 . 2 . . . . . 36 VAL CG2 . 53910 1 221 . 1 . 1 36 36 VAL N N 15 120.9900 0.1255 . 1 . . . . . 36 VAL N . 53910 1 222 . 1 . 1 37 37 ASP H H 1 7.9632 0.0047 . 1 . . . . . 37 ASP H . 53910 1 223 . 1 . 1 37 37 ASP C C 13 176.3089 0.0369 . 1 . . . . . 37 ASP C . 53910 1 224 . 1 . 1 37 37 ASP CA C 13 54.8728 0.1204 . 1 . . . . . 37 ASP CA . 53910 1 225 . 1 . 1 37 37 ASP CB C 13 46.7255 0.2779 . 1 . . . . . 37 ASP CB . 53910 1 226 . 1 . 1 37 37 ASP CG C 13 179.9930 0.1923 . 1 . . . . . 37 ASP CG . 53910 1 227 . 1 . 1 37 37 ASP N N 15 126.4448 0.1468 . 1 . . . . . 37 ASP N . 53910 1 228 . 1 . 1 38 38 VAL H H 1 8.2588 0.0179 . 1 . . . . . 38 VAL H . 53910 1 229 . 1 . 1 38 38 VAL HG11 H 1 1.0378 0.0087 . 2 . . . . . 38 VAL HG1 . 53910 1 230 . 1 . 1 38 38 VAL HG12 H 1 1.0378 0.0087 . 2 . . . . . 38 VAL HG1 . 53910 1 231 . 1 . 1 38 38 VAL HG13 H 1 1.0378 0.0087 . 2 . . . . . 38 VAL HG1 . 53910 1 232 . 1 . 1 38 38 VAL HG21 H 1 1.0074 0.0081 . 2 . . . . . 38 VAL HG2 . 53910 1 233 . 1 . 1 38 38 VAL HG22 H 1 1.0074 0.0081 . 2 . . . . . 38 VAL HG2 . 53910 1 234 . 1 . 1 38 38 VAL HG23 H 1 1.0074 0.0081 . 2 . . . . . 38 VAL HG2 . 53910 1 235 . 1 . 1 38 38 VAL C C 13 177.9464 0.1144 . 1 . . . . . 38 VAL C . 53910 1 236 . 1 . 1 38 38 VAL CA C 13 62.9908 0.1662 . 1 . . . . . 38 VAL CA . 53910 1 237 . 1 . 1 38 38 VAL CB C 13 31.5401 0.4245 . 1 . . . . . 38 VAL CB . 53910 1 238 . 1 . 1 38 38 VAL CG1 C 13 20.8505 0.5475 . 2 . . . . . 38 VAL CG1 . 53910 1 239 . 1 . 1 38 38 VAL CG2 C 13 19.6415 0.6207 . 2 . . . . . 38 VAL CG2 . 53910 1 240 . 1 . 1 38 38 VAL N N 15 122.2919 0.1037 . 1 . . . . . 38 VAL N . 53910 1 241 . 1 . 1 39 39 VAL H H 1 9.3938 0.0208 . 1 . . . . . 39 VAL H . 53910 1 242 . 1 . 1 39 39 VAL HG11 H 1 0.9594 0.0070 . 2 . . . . . 39 VAL HG1 . 53910 1 243 . 1 . 1 39 39 VAL HG12 H 1 0.9594 0.0070 . 2 . . . . . 39 VAL HG1 . 53910 1 244 . 1 . 1 39 39 VAL HG13 H 1 0.9594 0.0070 . 2 . . . . . 39 VAL HG1 . 53910 1 245 . 1 . 1 39 39 VAL HG21 H 1 1.0819 0.0005 . 2 . . . . . 39 VAL HG2 . 53910 1 246 . 1 . 1 39 39 VAL HG22 H 1 1.0819 0.0005 . 2 . . . . . 39 VAL HG2 . 53910 1 247 . 1 . 1 39 39 VAL HG23 H 1 1.0819 0.0005 . 2 . . . . . 39 VAL HG2 . 53910 1 248 . 1 . 1 39 39 VAL C C 13 175.6515 0.0856 . 1 . . . . . 39 VAL C . 53910 1 249 . 1 . 1 39 39 VAL CA C 13 61.8642 0.1700 . 1 . . . . . 39 VAL CA . 53910 1 250 . 1 . 1 39 39 VAL CB C 13 31.0896 0.3228 . 1 . . . . . 39 VAL CB . 53910 1 251 . 1 . 1 39 39 VAL CG1 C 13 20.9478 0.0516 . 2 . . . . . 39 VAL CG1 . 53910 1 252 . 1 . 1 39 39 VAL CG2 C 13 22.5356 0.0258 . 2 . . . . . 39 VAL CG2 . 53910 1 253 . 1 . 1 39 39 VAL N N 15 128.1196 0.0942 . 1 . . . . . 39 VAL N . 53910 1 254 . 1 . 1 40 40 PRO C C 13 178.4903 0.0954 . 1 . . . . . 40 PRO C . 53910 1 255 . 1 . 1 40 40 PRO CA C 13 64.7000 0.0042 . 1 . . . . . 40 PRO CA . 53910 1 256 . 1 . 1 40 40 PRO CB C 13 31.5170 0.8019 . 1 . . . . . 40 PRO CB . 53910 1 257 . 1 . 1 41 41 GLY H H 1 8.6943 0.0139 . 1 . . . . . 41 GLY H . 53910 1 258 . 1 . 1 41 41 GLY C C 13 175.9068 0.0876 . 1 . . . . . 41 GLY C . 53910 1 259 . 1 . 1 41 41 GLY CA C 13 46.6307 0.1315 . 1 . . . . . 41 GLY CA . 53910 1 260 . 1 . 1 41 41 GLY N N 15 113.5768 0.1412 . 1 . . . . . 41 GLY N . 53910 1 261 . 1 . 1 42 42 LEU H H 1 7.5334 0.0068 . 1 . . . . . 42 LEU H . 53910 1 262 . 1 . 1 42 42 LEU HD11 H 1 0.9451 0.0065 . 2 . . . . . 42 LEU HD1 . 53910 1 263 . 1 . 1 42 42 LEU HD12 H 1 0.9451 0.0065 . 2 . . . . . 42 LEU HD1 . 53910 1 264 . 1 . 1 42 42 LEU HD13 H 1 0.9451 0.0065 . 2 . . . . . 42 LEU HD1 . 53910 1 265 . 1 . 1 42 42 LEU HD21 H 1 0.8163 0.0014 . 2 . . . . . 42 LEU HD2 . 53910 1 266 . 1 . 1 42 42 LEU HD22 H 1 0.8163 0.0014 . 2 . . . . . 42 LEU HD2 . 53910 1 267 . 1 . 1 42 42 LEU HD23 H 1 0.8163 0.0014 . 2 . . . . . 42 LEU HD2 . 53910 1 268 . 1 . 1 42 42 LEU C C 13 178.0104 0.0889 . 1 . . . . . 42 LEU C . 53910 1 269 . 1 . 1 42 42 LEU CA C 13 59.2447 0.1570 . 1 . . . . . 42 LEU CA . 53910 1 270 . 1 . 1 42 42 LEU CB C 13 42.2207 0.5168 . 1 . . . . . 42 LEU CB . 53910 1 271 . 1 . 1 42 42 LEU CG C 13 28.1280 0.0000 . 1 . . . . . 42 LEU CG . 53910 1 272 . 1 . 1 42 42 LEU CD1 C 13 23.1244 0.0716 . 2 . . . . . 42 LEU CD1 . 53910 1 273 . 1 . 1 42 42 LEU CD2 C 13 26.0650 0.8716 . 2 . . . . . 42 LEU CD2 . 53910 1 274 . 1 . 1 42 42 LEU N N 15 124.4958 0.2139 . 1 . . . . . 42 LEU N . 53910 1 275 . 1 . 1 43 43 ALA H H 1 9.0763 0.0412 . 1 . . . . . 43 ALA H . 53910 1 276 . 1 . 1 43 43 ALA C C 13 179.4901 0.0907 . 1 . . . . . 43 ALA C . 53910 1 277 . 1 . 1 43 43 ALA CA C 13 55.5424 0.1491 . 1 . . . . . 43 ALA CA . 53910 1 278 . 1 . 1 43 43 ALA CB C 13 17.2460 0.7676 . 1 . . . . . 43 ALA CB . 53910 1 279 . 1 . 1 43 43 ALA N N 15 121.9076 0.1129 . 1 . . . . . 43 ALA N . 53910 1 280 . 1 . 1 44 44 LYS H H 1 8.6406 0.0482 . 1 . . . . . 44 LYS H . 53910 1 281 . 1 . 1 44 44 LYS C C 13 178.2688 0.1733 . 1 . . . . . 44 LYS C . 53910 1 282 . 1 . 1 44 44 LYS CA C 13 59.4877 0.1829 . 1 . . . . . 44 LYS CA . 53910 1 283 . 1 . 1 44 44 LYS CB C 13 32.0495 0.5836 . 1 . . . . . 44 LYS CB . 53910 1 284 . 1 . 1 44 44 LYS CG C 13 25.8720 0.4073 . 1 . . . . . 44 LYS CG . 53910 1 285 . 1 . 1 44 44 LYS N N 15 118.7529 0.4553 . 1 . . . . . 44 LYS N . 53910 1 286 . 1 . 1 45 45 GLY H H 1 7.7500 0.0207 . 1 . . . . . 45 GLY H . 53910 1 287 . 1 . 1 45 45 GLY C C 13 175.6320 0.0969 . 1 . . . . . 45 GLY C . 53910 1 288 . 1 . 1 45 45 GLY CA C 13 47.3083 0.1423 . 1 . . . . . 45 GLY CA . 53910 1 289 . 1 . 1 45 45 GLY N N 15 107.0242 0.1714 . 1 . . . . . 45 GLY N . 53910 1 290 . 1 . 1 46 46 VAL H H 1 7.8880 0.0152 . 1 . . . . . 46 VAL H . 53910 1 291 . 1 . 1 46 46 VAL HG11 H 1 0.7933 0.0108 . 2 . . . . . 46 VAL HG1 . 53910 1 292 . 1 . 1 46 46 VAL HG12 H 1 0.7933 0.0108 . 2 . . . . . 46 VAL HG1 . 53910 1 293 . 1 . 1 46 46 VAL HG13 H 1 0.7933 0.0108 . 2 . . . . . 46 VAL HG1 . 53910 1 294 . 1 . 1 46 46 VAL HG21 H 1 1.2533 0.0022 . 2 . . . . . 46 VAL HG2 . 53910 1 295 . 1 . 1 46 46 VAL HG22 H 1 1.2533 0.0022 . 2 . . . . . 46 VAL HG2 . 53910 1 296 . 1 . 1 46 46 VAL HG23 H 1 1.2533 0.0022 . 2 . . . . . 46 VAL HG2 . 53910 1 297 . 1 . 1 46 46 VAL C C 13 178.4259 0.2695 . 1 . . . . . 46 VAL C . 53910 1 298 . 1 . 1 46 46 VAL CA C 13 66.9567 0.1148 . 1 . . . . . 46 VAL CA . 53910 1 299 . 1 . 1 46 46 VAL CB C 13 31.9637 0.7215 . 1 . . . . . 46 VAL CB . 53910 1 300 . 1 . 1 46 46 VAL CG1 C 13 22.6143 0.1237 . 2 . . . . . 46 VAL CG1 . 53910 1 301 . 1 . 1 46 46 VAL CG2 C 13 22.3995 0.0088 . 2 . . . . . 46 VAL CG2 . 53910 1 302 . 1 . 1 46 46 VAL N N 15 120.9995 0.2088 . 1 . . . . . 46 VAL N . 53910 1 303 . 1 . 1 47 47 MET H H 1 8.4278 0.0319 . 1 . . . . . 47 MET H . 53910 1 304 . 1 . 1 47 47 MET HE1 H 1 1.7566 0.0000 . 1 . . . . . 47 MET HE . 53910 1 305 . 1 . 1 47 47 MET HE2 H 1 1.7566 0.0000 . 1 . . . . . 47 MET HE . 53910 1 306 . 1 . 1 47 47 MET HE3 H 1 1.7566 0.0000 . 1 . . . . . 47 MET HE . 53910 1 307 . 1 . 1 47 47 MET C C 13 177.3060 0.1235 . 1 . . . . . 47 MET C . 53910 1 308 . 1 . 1 47 47 MET CA C 13 59.4188 0.1316 . 1 . . . . . 47 MET CA . 53910 1 309 . 1 . 1 47 47 MET CB C 13 32.3050 0.2872 . 1 . . . . . 47 MET CB . 53910 1 310 . 1 . 1 47 47 MET CE C 13 16.5372 0.0000 . 1 . . . . . 47 MET CE . 53910 1 311 . 1 . 1 47 47 MET N N 15 118.1331 0.3320 . 1 . . . . . 47 MET N . 53910 1 312 . 1 . 1 48 48 GLU H H 1 8.0996 0.0092 . 1 . . . . . 48 GLU H . 53910 1 313 . 1 . 1 48 48 GLU CA C 13 57.8957 0.0750 . 1 . . . . . 48 GLU CA . 53910 1 314 . 1 . 1 48 48 GLU CB C 13 27.9455 0.4844 . 1 . . . . . 48 GLU CB . 53910 1 315 . 1 . 1 48 48 GLU CG C 13 33.9780 0.0000 . 1 . . . . . 48 GLU CG . 53910 1 316 . 1 . 1 48 48 GLU N N 15 116.4467 0.2008 . 1 . . . . . 48 GLU N . 53910 1 317 . 1 . 1 50 50 ILE HD11 H 1 0.2898 0.0113 . 1 . . . . . 50 ILE HD1 . 53910 1 318 . 1 . 1 50 50 ILE HD12 H 1 0.2898 0.0113 . 1 . . . . . 50 ILE HD1 . 53910 1 319 . 1 . 1 50 50 ILE HD13 H 1 0.2898 0.0113 . 1 . . . . . 50 ILE HD1 . 53910 1 320 . 1 . 1 50 50 ILE C C 13 179.3050 0.0000 . 1 . . . . . 50 ILE C . 53910 1 321 . 1 . 1 50 50 ILE CA C 13 66.2771 0.0000 . 1 . . . . . 50 ILE CA . 53910 1 322 . 1 . 1 50 50 ILE CB C 13 36.5815 0.2695 . 1 . . . . . 50 ILE CB . 53910 1 323 . 1 . 1 50 50 ILE CG1 C 13 30.5561 0.0000 . 1 . . . . . 50 ILE CG1 . 53910 1 324 . 1 . 1 50 50 ILE CD1 C 13 14.4473 0.1008 . 1 . . . . . 50 ILE CD1 . 53910 1 325 . 1 . 1 51 51 LYS H H 1 8.2737 0.0058 . 1 . . . . . 51 LYS H . 53910 1 326 . 1 . 1 51 51 LYS C C 13 180.7491 0.1476 . 1 . . . . . 51 LYS C . 53910 1 327 . 1 . 1 51 51 LYS CA C 13 60.6622 0.0882 . 1 . . . . . 51 LYS CA . 53910 1 328 . 1 . 1 51 51 LYS CB C 13 30.9820 0.1598 . 1 . . . . . 51 LYS CB . 53910 1 329 . 1 . 1 51 51 LYS CD C 13 32.3590 0.0000 . 1 . . . . . 51 LYS CD . 53910 1 330 . 1 . 1 51 51 LYS N N 15 121.4420 0.0603 . 1 . . . . . 51 LYS N . 53910 1 331 . 1 . 1 52 52 HIS H H 1 7.5160 0.0167 . 1 . . . . . 52 HIS H . 53910 1 332 . 1 . 1 52 52 HIS C C 13 178.1119 0.1025 . 1 . . . . . 52 HIS C . 53910 1 333 . 1 . 1 52 52 HIS CA C 13 58.1485 0.3723 . 1 . . . . . 52 HIS CA . 53910 1 334 . 1 . 1 52 52 HIS CB C 13 30.6358 0.2198 . 1 . . . . . 52 HIS CB . 53910 1 335 . 1 . 1 52 52 HIS N N 15 121.6804 0.1021 . 1 . . . . . 52 HIS N . 53910 1 336 . 1 . 1 53 53 ALA H H 1 7.6308 0.0065 . 1 . . . . . 53 ALA H . 53910 1 337 . 1 . 1 53 53 ALA C C 13 179.8672 0.0832 . 1 . . . . . 53 ALA C . 53910 1 338 . 1 . 1 53 53 ALA CA C 13 55.4783 0.0193 . 1 . . . . . 53 ALA CA . 53910 1 339 . 1 . 1 53 53 ALA CB C 13 18.7150 0.2051 . 1 . . . . . 53 ALA CB . 53910 1 340 . 1 . 1 53 53 ALA N N 15 121.5661 0.2503 . 1 . . . . . 53 ALA N . 53910 1 341 . 1 . 1 54 54 ALA C C 13 179.7884 0.1239 . 1 . . . . . 54 ALA C . 53910 1 342 . 1 . 1 54 54 ALA CA C 13 55.7363 0.1308 . 1 . . . . . 54 ALA CA . 53910 1 343 . 1 . 1 54 54 ALA CB C 13 17.5670 0.1499 . 1 . . . . . 54 ALA CB . 53910 1 344 . 1 . 1 54 54 ALA N N 15 120.0520 0.2938 . 1 . . . . . 54 ALA N . 53910 1 345 . 1 . 1 55 55 ALA H H 1 7.7670 0.0000 . 1 . . . . . 55 ALA H . 53910 1 346 . 1 . 1 55 55 ALA C C 13 180.9790 0.0721 . 1 . . . . . 55 ALA C . 53910 1 347 . 1 . 1 55 55 ALA CA C 13 55.6123 0.0679 . 1 . . . . . 55 ALA CA . 53910 1 348 . 1 . 1 55 55 ALA CB C 13 18.3960 0.0000 . 1 . . . . . 55 ALA CB . 53910 1 349 . 1 . 1 55 55 ALA N N 15 119.7206 0.1450 . 1 . . . . . 55 ALA N . 53910 1 350 . 1 . 1 56 56 VAL H H 1 7.3187 0.0145 . 1 . . . . . 56 VAL H . 53910 1 351 . 1 . 1 56 56 VAL HG21 H 1 0.4675 0.0000 . 1 . . . . . 56 VAL HG2 . 53910 1 352 . 1 . 1 56 56 VAL HG22 H 1 0.4675 0.0000 . 1 . . . . . 56 VAL HG2 . 53910 1 353 . 1 . 1 56 56 VAL HG23 H 1 0.4675 0.0000 . 1 . . . . . 56 VAL HG2 . 53910 1 354 . 1 . 1 56 56 VAL C C 13 178.8970 0.4214 . 1 . . . . . 56 VAL C . 53910 1 355 . 1 . 1 56 56 VAL CA C 13 65.6760 0.1289 . 1 . . . . . 56 VAL CA . 53910 1 356 . 1 . 1 56 56 VAL CB C 13 29.8620 0.0000 . 1 . . . . . 56 VAL CB . 53910 1 357 . 1 . 1 56 56 VAL CG2 C 13 21.9609 0.0000 . 1 . . . . . 56 VAL CG2 . 53910 1 358 . 1 . 1 56 56 VAL N N 15 121.3578 0.1014 . 1 . . . . . 56 VAL N . 53910 1 359 . 1 . 1 57 57 PHE H H 1 7.1405 0.0177 . 1 . . . . . 57 PHE H . 53910 1 360 . 1 . 1 57 57 PHE C C 13 174.1494 0.1720 . 1 . . . . . 57 PHE C . 53910 1 361 . 1 . 1 57 57 PHE CA C 13 57.6780 0.3055 . 1 . . . . . 57 PHE CA . 53910 1 362 . 1 . 1 57 57 PHE CB C 13 41.9630 0.0000 . 1 . . . . . 57 PHE CB . 53910 1 363 . 1 . 1 57 57 PHE N N 15 115.6303 0.7953 . 1 . . . . . 57 PHE N . 53910 1 364 . 1 . 1 58 58 ARG H H 1 7.7075 0.0177 . 1 . . . . . 58 ARG H . 53910 1 365 . 1 . 1 58 58 ARG C C 13 174.6834 0.1863 . 1 . . . . . 58 ARG C . 53910 1 366 . 1 . 1 58 58 ARG CA C 13 54.7195 0.0899 . 1 . . . . . 58 ARG CA . 53910 1 367 . 1 . 1 58 58 ARG CB C 13 27.4710 0.5606 . 1 . . . . . 58 ARG CB . 53910 1 368 . 1 . 1 58 58 ARG CD C 13 42.4750 0.0000 . 1 . . . . . 58 ARG CD . 53910 1 369 . 1 . 1 58 58 ARG N N 15 113.7021 0.3554 . 1 . . . . . 58 ARG N . 53910 1 370 . 1 . 1 59 59 ARG H H 1 8.4078 0.0200 . 1 . . . . . 59 ARG H . 53910 1 371 . 1 . 1 59 59 ARG C C 13 174.3620 0.1087 . 1 . . . . . 59 ARG C . 53910 1 372 . 1 . 1 59 59 ARG CA C 13 56.3424 0.0909 . 1 . . . . . 59 ARG CA . 53910 1 373 . 1 . 1 59 59 ARG CB C 13 29.5575 0.2213 . 1 . . . . . 59 ARG CB . 53910 1 374 . 1 . 1 59 59 ARG N N 15 116.9856 0.1408 . 1 . . . . . 59 ARG N . 53910 1 375 . 1 . 1 60 60 SER H H 1 7.6050 0.0202 . 1 . . . . . 60 SER H . 53910 1 376 . 1 . 1 60 60 SER CA C 13 58.6190 0.0000 . 1 . . . . . 60 SER CA . 53910 1 377 . 1 . 1 60 60 SER CB C 13 62.7110 0.0000 . 1 . . . . . 60 SER CB . 53910 1 378 . 1 . 1 60 60 SER N N 15 118.6286 0.0620 . 1 . . . . . 60 SER N . 53910 1 379 . 1 . 1 61 61 ILE HD11 H 1 0.7802 0.0037 . 1 . . . . . 61 ILE HD1 . 53910 1 380 . 1 . 1 61 61 ILE HD12 H 1 0.7802 0.0037 . 1 . . . . . 61 ILE HD1 . 53910 1 381 . 1 . 1 61 61 ILE HD13 H 1 0.7802 0.0037 . 1 . . . . . 61 ILE HD1 . 53910 1 382 . 1 . 1 61 61 ILE C C 13 175.3564 0.0204 . 1 . . . . . 61 ILE C . 53910 1 383 . 1 . 1 61 61 ILE CA C 13 60.5456 1.2921 . 1 . . . . . 61 ILE CA . 53910 1 384 . 1 . 1 61 61 ILE CB C 13 40.1684 0.1140 . 1 . . . . . 61 ILE CB . 53910 1 385 . 1 . 1 61 61 ILE CG1 C 13 27.9539 0.0841 . 1 . . . . . 61 ILE CG1 . 53910 1 386 . 1 . 1 61 61 ILE CD1 C 13 14.1427 1.0223 . 1 . . . . . 61 ILE CD1 . 53910 1 387 . 1 . 1 62 62 THR HG21 H 1 1.2252 0.0000 . 1 . . . . . 62 THR HG2 . 53910 1 388 . 1 . 1 62 62 THR HG22 H 1 1.2252 0.0000 . 1 . . . . . 62 THR HG2 . 53910 1 389 . 1 . 1 62 62 THR HG23 H 1 1.2252 0.0000 . 1 . . . . . 62 THR HG2 . 53910 1 390 . 1 . 1 62 62 THR C C 13 173.5753 0.1810 . 1 . . . . . 62 THR C . 53910 1 391 . 1 . 1 62 62 THR CA C 13 61.6256 0.1100 . 1 . . . . . 62 THR CA . 53910 1 392 . 1 . 1 62 62 THR CB C 13 71.0113 0.2851 . 1 . . . . . 62 THR CB . 53910 1 393 . 1 . 1 62 62 THR CG2 C 13 21.3048 0.6892 . 1 . . . . . 62 THR CG2 . 53910 1 394 . 1 . 1 62 62 THR N N 15 118.7988 0.1777 . 1 . . . . . 62 THR N . 53910 1 395 . 1 . 1 63 63 VAL H H 1 8.8683 0.0168 . 1 . . . . . 63 VAL H . 53910 1 396 . 1 . 1 63 63 VAL HG21 H 1 0.4077 0.0000 . 1 . . . . . 63 VAL HG2 . 53910 1 397 . 1 . 1 63 63 VAL HG22 H 1 0.4077 0.0000 . 1 . . . . . 63 VAL HG2 . 53910 1 398 . 1 . 1 63 63 VAL HG23 H 1 0.4077 0.0000 . 1 . . . . . 63 VAL HG2 . 53910 1 399 . 1 . 1 63 63 VAL C C 13 174.0221 0.2023 . 1 . . . . . 63 VAL C . 53910 1 400 . 1 . 1 63 63 VAL CA C 13 59.4234 0.1209 . 1 . . . . . 63 VAL CA . 53910 1 401 . 1 . 1 63 63 VAL CB C 13 34.6105 0.7417 . 1 . . . . . 63 VAL CB . 53910 1 402 . 1 . 1 63 63 VAL CG1 C 13 21.6785 0.0502 . 1 . . . . . 63 VAL CG1 . 53910 1 403 . 1 . 1 63 63 VAL CG2 C 13 22.5910 0.4125 . 1 . . . . . 63 VAL CG2 . 53910 1 404 . 1 . 1 63 63 VAL N N 15 126.7853 0.2661 . 1 . . . . . 63 VAL N . 53910 1 405 . 1 . 1 64 64 GLU H H 1 7.9153 0.0038 . 1 . . . . . 64 GLU H . 53910 1 406 . 1 . 1 64 64 GLU C C 13 174.0203 0.0982 . 1 . . . . . 64 GLU C . 53910 1 407 . 1 . 1 64 64 GLU CA C 13 54.1279 0.1143 . 1 . . . . . 64 GLU CA . 53910 1 408 . 1 . 1 64 64 GLU CB C 13 33.2060 0.5794 . 1 . . . . . 64 GLU CB . 53910 1 409 . 1 . 1 64 64 GLU N N 15 124.3647 0.5242 . 1 . . . . . 64 GLU N . 53910 1 410 . 1 . 1 65 65 ALA H H 1 7.9727 0.0199 . 1 . . . . . 65 ALA H . 53910 1 411 . 1 . 1 65 65 ALA C C 13 176.0629 0.0841 . 1 . . . . . 65 ALA C . 53910 1 412 . 1 . 1 65 65 ALA CA C 13 50.2240 0.1143 . 1 . . . . . 65 ALA CA . 53910 1 413 . 1 . 1 65 65 ALA CB C 13 21.2040 0.5350 . 1 . . . . . 65 ALA CB . 53910 1 414 . 1 . 1 65 65 ALA N N 15 123.4981 0.1854 . 1 . . . . . 65 ALA N . 53910 1 415 . 1 . 1 66 66 PHE H H 1 8.7367 0.0184 . 1 . . . . . 66 PHE H . 53910 1 416 . 1 . 1 66 66 PHE C C 13 174.8010 0.0790 . 1 . . . . . 66 PHE C . 53910 1 417 . 1 . 1 66 66 PHE CA C 13 55.1733 0.1194 . 1 . . . . . 66 PHE CA . 53910 1 418 . 1 . 1 66 66 PHE CB C 13 45.0258 0.6929 . 1 . . . . . 66 PHE CB . 53910 1 419 . 1 . 1 66 66 PHE N N 15 117.6522 0.0774 . 1 . . . . . 66 PHE N . 53910 1 420 . 1 . 1 67 67 GLU H H 1 8.7117 0.0156 . 1 . . . . . 67 GLU H . 53910 1 421 . 1 . 1 67 67 GLU C C 13 175.7584 0.0554 . 1 . . . . . 67 GLU C . 53910 1 422 . 1 . 1 67 67 GLU CA C 13 54.7461 0.1161 . 1 . . . . . 67 GLU CA . 53910 1 423 . 1 . 1 67 67 GLU CB C 13 30.0783 0.5578 . 1 . . . . . 67 GLU CB . 53910 1 424 . 1 . 1 67 67 GLU CG C 13 37.1220 0.1980 . 1 . . . . . 67 GLU CG . 53910 1 425 . 1 . 1 67 67 GLU CD C 13 184.2830 0.2772 . 1 . . . . . 67 GLU CD . 53910 1 426 . 1 . 1 67 67 GLU N N 15 117.4387 0.1443 . 1 . . . . . 67 GLU N . 53910 1 427 . 1 . 1 68 68 ASP H H 1 6.7693 0.0101 . 1 . . . . . 68 ASP H . 53910 1 428 . 1 . 1 68 68 ASP C C 13 176.6766 0.0624 . 1 . . . . . 68 ASP C . 53910 1 429 . 1 . 1 68 68 ASP CA C 13 52.3878 0.1267 . 1 . . . . . 68 ASP CA . 53910 1 430 . 1 . 1 68 68 ASP CB C 13 44.0430 0.3303 . 1 . . . . . 68 ASP CB . 53910 1 431 . 1 . 1 68 68 ASP CG C 13 180.4310 0.2447 . 1 . . . . . 68 ASP CG . 53910 1 432 . 1 . 1 68 68 ASP N N 15 118.3111 0.1311 . 1 . . . . . 68 ASP N . 53910 1 433 . 1 . 1 69 69 VAL H H 1 8.6920 0.0217 . 1 . . . . . 69 VAL H . 53910 1 434 . 1 . 1 69 69 VAL HG11 H 1 0.9685 0.0068 . 2 . . . . . 69 VAL HG1 . 53910 1 435 . 1 . 1 69 69 VAL HG12 H 1 0.9685 0.0068 . 2 . . . . . 69 VAL HG1 . 53910 1 436 . 1 . 1 69 69 VAL HG13 H 1 0.9685 0.0068 . 2 . . . . . 69 VAL HG1 . 53910 1 437 . 1 . 1 69 69 VAL HG21 H 1 1.0168 0.0012 . 2 . . . . . 69 VAL HG2 . 53910 1 438 . 1 . 1 69 69 VAL HG22 H 1 1.0168 0.0012 . 2 . . . . . 69 VAL HG2 . 53910 1 439 . 1 . 1 69 69 VAL HG23 H 1 1.0168 0.0012 . 2 . . . . . 69 VAL HG2 . 53910 1 440 . 1 . 1 69 69 VAL C C 13 176.0712 0.1392 . 1 . . . . . 69 VAL C . 53910 1 441 . 1 . 1 69 69 VAL CA C 13 65.1359 0.1645 . 1 . . . . . 69 VAL CA . 53910 1 442 . 1 . 1 69 69 VAL CB C 13 32.0555 0.3743 . 1 . . . . . 69 VAL CB . 53910 1 443 . 1 . 1 69 69 VAL CG1 C 13 22.6998 0.0981 . 2 . . . . . 69 VAL CG1 . 53910 1 444 . 1 . 1 69 69 VAL CG2 C 13 22.8059 0.0077 . 2 . . . . . 69 VAL CG2 . 53910 1 445 . 1 . 1 69 69 VAL N N 15 125.3833 0.1056 . 1 . . . . . 69 VAL N . 53910 1 446 . 1 . 1 70 70 SER H H 1 8.4316 0.0122 . 1 . . . . . 70 SER H . 53910 1 447 . 1 . 1 70 70 SER C C 13 174.0622 0.1290 . 1 . . . . . 70 SER C . 53910 1 448 . 1 . 1 70 70 SER CA C 13 60.7617 0.0981 . 1 . . . . . 70 SER CA . 53910 1 449 . 1 . 1 70 70 SER CB C 13 63.1773 0.3172 . 1 . . . . . 70 SER CB . 53910 1 450 . 1 . 1 70 70 SER N N 15 113.8738 0.2054 . 1 . . . . . 70 SER N . 53910 1 451 . 1 . 1 71 71 LYS H H 1 6.9812 0.0251 . 1 . . . . . 71 LYS H . 53910 1 452 . 1 . 1 71 71 LYS C C 13 176.9985 0.0698 . 1 . . . . . 71 LYS C . 53910 1 453 . 1 . 1 71 71 LYS CA C 13 54.9641 0.0944 . 1 . . . . . 71 LYS CA . 53910 1 454 . 1 . 1 71 71 LYS CB C 13 30.5392 0.5387 . 1 . . . . . 71 LYS CB . 53910 1 455 . 1 . 1 71 71 LYS CG C 13 25.2345 0.1761 . 1 . . . . . 71 LYS CG . 53910 1 456 . 1 . 1 71 71 LYS N N 15 117.5827 0.1435 . 1 . . . . . 71 LYS N . 53910 1 457 . 1 . 1 72 72 VAL H H 1 7.2112 0.0059 . 1 . . . . . 72 VAL H . 53910 1 458 . 1 . 1 72 72 VAL HG11 H 1 0.6731 0.0048 . 1 . . . . . 72 VAL HG1 . 53910 1 459 . 1 . 1 72 72 VAL HG12 H 1 0.6731 0.0048 . 1 . . . . . 72 VAL HG1 . 53910 1 460 . 1 . 1 72 72 VAL HG13 H 1 0.6731 0.0048 . 1 . . . . . 72 VAL HG1 . 53910 1 461 . 1 . 1 72 72 VAL HG21 H 1 0.8244 0.0038 . 1 . . . . . 72 VAL HG2 . 53910 1 462 . 1 . 1 72 72 VAL HG22 H 1 0.8244 0.0038 . 1 . . . . . 72 VAL HG2 . 53910 1 463 . 1 . 1 72 72 VAL HG23 H 1 0.8244 0.0038 . 1 . . . . . 72 VAL HG2 . 53910 1 464 . 1 . 1 72 72 VAL C C 13 174.3221 0.0924 . 1 . . . . . 72 VAL C . 53910 1 465 . 1 . 1 72 72 VAL CA C 13 63.7266 0.1352 . 1 . . . . . 72 VAL CA . 53910 1 466 . 1 . 1 72 72 VAL CB C 13 30.3594 0.5022 . 1 . . . . . 72 VAL CB . 53910 1 467 . 1 . 1 72 72 VAL CG1 C 13 21.4950 0.1212 . 1 . . . . . 72 VAL CG1 . 53910 1 468 . 1 . 1 72 72 VAL CG2 C 13 23.7460 0.1421 . 1 . . . . . 72 VAL CG2 . 53910 1 469 . 1 . 1 72 72 VAL N N 15 121.0181 0.1615 . 1 . . . . . 72 VAL N . 53910 1 470 . 1 . 1 73 73 GLU H H 1 8.0980 0.0274 . 1 . . . . . 73 GLU H . 53910 1 471 . 1 . 1 73 73 GLU C C 13 175.7168 0.0681 . 1 . . . . . 73 GLU C . 53910 1 472 . 1 . 1 73 73 GLU CA C 13 54.4765 0.1115 . 1 . . . . . 73 GLU CA . 53910 1 473 . 1 . 1 73 73 GLU CB C 13 33.5168 0.5609 . 1 . . . . . 73 GLU CB . 53910 1 474 . 1 . 1 73 73 GLU N N 15 126.4541 0.1487 . 1 . . . . . 73 GLU N . 53910 1 475 . 1 . 1 74 74 ASN H H 1 8.6062 0.0093 . 1 . . . . . 74 ASN H . 53910 1 476 . 1 . 1 74 74 ASN C C 13 174.1604 0.0968 . 1 . . . . . 74 ASN C . 53910 1 477 . 1 . 1 74 74 ASN CA C 13 54.7581 0.1117 . 1 . . . . . 74 ASN CA . 53910 1 478 . 1 . 1 74 74 ASN CB C 13 37.3380 0.2841 . 1 . . . . . 74 ASN CB . 53910 1 479 . 1 . 1 74 74 ASN CG C 13 175.6700 0.1966 . 1 . . . . . 74 ASN CG . 53910 1 480 . 1 . 1 74 74 ASN N N 15 115.3534 0.1482 . 1 . . . . . 74 ASN N . 53910 1 481 . 1 . 1 75 75 ALA H H 1 9.5797 0.0088 . 1 . . . . . 75 ALA H . 53910 1 482 . 1 . 1 75 75 ALA C C 13 176.7312 0.0835 . 1 . . . . . 75 ALA C . 53910 1 483 . 1 . 1 75 75 ALA CA C 13 52.0535 0.1164 . 1 . . . . . 75 ALA CA . 53910 1 484 . 1 . 1 75 75 ALA CB C 13 18.5598 0.8047 . 1 . . . . . 75 ALA CB . 53910 1 485 . 1 . 1 75 75 ALA N N 15 120.7830 0.1462 . 1 . . . . . 75 ALA N . 53910 1 486 . 1 . 1 76 76 ASP H H 1 8.6742 0.0332 . 1 . . . . . 76 ASP H . 53910 1 487 . 1 . 1 76 76 ASP C C 13 177.1824 0.0535 . 1 . . . . . 76 ASP C . 53910 1 488 . 1 . 1 76 76 ASP CA C 13 55.9349 0.1225 . 1 . . . . . 76 ASP CA . 53910 1 489 . 1 . 1 76 76 ASP CB C 13 44.0515 0.3595 . 1 . . . . . 76 ASP CB . 53910 1 490 . 1 . 1 76 76 ASP CG C 13 178.8480 0.2164 . 1 . . . . . 76 ASP CG . 53910 1 491 . 1 . 1 76 76 ASP N N 15 119.8979 0.2580 . 1 . . . . . 76 ASP N . 53910 1 492 . 1 . 1 77 77 ALA H H 1 7.7632 0.0033 . 1 . . . . . 77 ALA H . 53910 1 493 . 1 . 1 77 77 ALA C C 13 175.2560 0.0658 . 1 . . . . . 77 ALA C . 53910 1 494 . 1 . 1 77 77 ALA CA C 13 50.9644 0.1169 . 1 . . . . . 77 ALA CA . 53910 1 495 . 1 . 1 77 77 ALA CB C 13 22.5500 0.6367 . 1 . . . . . 77 ALA CB . 53910 1 496 . 1 . 1 77 77 ALA N N 15 119.6430 0.1146 . 1 . . . . . 77 ALA N . 53910 1 497 . 1 . 1 78 78 ILE H H 1 9.4262 0.0226 . 1 . . . . . 78 ILE H . 53910 1 498 . 1 . 1 78 78 ILE HD11 H 1 0.2241 0.0043 . 1 . . . . . 78 ILE HD1 . 53910 1 499 . 1 . 1 78 78 ILE HD12 H 1 0.2241 0.0043 . 1 . . . . . 78 ILE HD1 . 53910 1 500 . 1 . 1 78 78 ILE HD13 H 1 0.2241 0.0043 . 1 . . . . . 78 ILE HD1 . 53910 1 501 . 1 . 1 78 78 ILE C C 13 174.1583 0.0737 . 1 . . . . . 78 ILE C . 53910 1 502 . 1 . 1 78 78 ILE CA C 13 60.7108 0.1558 . 1 . . . . . 78 ILE CA . 53910 1 503 . 1 . 1 78 78 ILE CB C 13 40.7846 0.4848 . 1 . . . . . 78 ILE CB . 53910 1 504 . 1 . 1 78 78 ILE CG1 C 13 28.3142 0.3668 . 1 . . . . . 78 ILE CG1 . 53910 1 505 . 1 . 1 78 78 ILE CG2 C 13 18.2905 0.2199 . 1 . . . . . 78 ILE CG2 . 53910 1 506 . 1 . 1 78 78 ILE CD1 C 13 14.1465 0.0869 . 1 . . . . . 78 ILE CD1 . 53910 1 507 . 1 . 1 78 78 ILE N N 15 124.2379 0.1326 . 1 . . . . . 78 ILE N . 53910 1 508 . 1 . 1 79 79 VAL H H 1 9.0964 0.0211 . 1 . . . . . 79 VAL H . 53910 1 509 . 1 . 1 79 79 VAL HG21 H 1 0.4391 0.0000 . 1 . . . . . 79 VAL HG2 . 53910 1 510 . 1 . 1 79 79 VAL HG22 H 1 0.4391 0.0000 . 1 . . . . . 79 VAL HG2 . 53910 1 511 . 1 . 1 79 79 VAL HG23 H 1 0.4391 0.0000 . 1 . . . . . 79 VAL HG2 . 53910 1 512 . 1 . 1 79 79 VAL C C 13 175.5183 0.0892 . 1 . . . . . 79 VAL C . 53910 1 513 . 1 . 1 79 79 VAL CA C 13 61.3083 0.0857 . 1 . . . . . 79 VAL CA . 53910 1 514 . 1 . 1 79 79 VAL CB C 13 32.5587 0.5824 . 1 . . . . . 79 VAL CB . 53910 1 515 . 1 . 1 79 79 VAL CG1 C 13 20.0260 0.2418 . 1 . . . . . 79 VAL CG1 . 53910 1 516 . 1 . 1 79 79 VAL CG2 C 13 21.0339 0.2082 . 1 . . . . . 79 VAL CG2 . 53910 1 517 . 1 . 1 79 79 VAL N N 15 128.8228 0.1120 . 1 . . . . . 79 VAL N . 53910 1 518 . 1 . 1 80 80 ILE H H 1 9.1648 0.0179 . 1 . . . . . 80 ILE H . 53910 1 519 . 1 . 1 80 80 ILE HD11 H 1 0.8734 0.0047 . 1 . . . . . 80 ILE HD1 . 53910 1 520 . 1 . 1 80 80 ILE HD12 H 1 0.8734 0.0047 . 1 . . . . . 80 ILE HD1 . 53910 1 521 . 1 . 1 80 80 ILE HD13 H 1 0.8734 0.0047 . 1 . . . . . 80 ILE HD1 . 53910 1 522 . 1 . 1 80 80 ILE C C 13 174.7083 0.0925 . 1 . . . . . 80 ILE C . 53910 1 523 . 1 . 1 80 80 ILE CA C 13 61.6436 0.1668 . 1 . . . . . 80 ILE CA . 53910 1 524 . 1 . 1 80 80 ILE CB C 13 39.9574 0.4542 . 1 . . . . . 80 ILE CB . 53910 1 525 . 1 . 1 80 80 ILE CG1 C 13 28.1297 0.3719 . 1 . . . . . 80 ILE CG1 . 53910 1 526 . 1 . 1 80 80 ILE CG2 C 13 18.7790 0.1768 . 1 . . . . . 80 ILE CG2 . 53910 1 527 . 1 . 1 80 80 ILE CD1 C 13 15.5051 0.0258 . 1 . . . . . 80 ILE CD1 . 53910 1 528 . 1 . 1 80 80 ILE N N 15 128.3711 0.1406 . 1 . . . . . 80 ILE N . 53910 1 529 . 1 . 1 81 81 THR H H 1 8.8985 0.0157 . 1 . . . . . 81 THR H . 53910 1 530 . 1 . 1 81 81 THR HG21 H 1 0.8576 0.0000 . 1 . . . . . 81 THR HG2 . 53910 1 531 . 1 . 1 81 81 THR HG22 H 1 0.8576 0.0000 . 1 . . . . . 81 THR HG2 . 53910 1 532 . 1 . 1 81 81 THR HG23 H 1 0.8576 0.0000 . 1 . . . . . 81 THR HG2 . 53910 1 533 . 1 . 1 81 81 THR C C 13 174.3525 0.0679 . 1 . . . . . 81 THR C . 53910 1 534 . 1 . 1 81 81 THR CA C 13 61.0039 0.1010 . 1 . . . . . 81 THR CA . 53910 1 535 . 1 . 1 81 81 THR CB C 13 69.3227 0.2149 . 1 . . . . . 81 THR CB . 53910 1 536 . 1 . 1 81 81 THR CG2 C 13 21.3230 0.1394 . 1 . . . . . 81 THR CG2 . 53910 1 537 . 1 . 1 81 81 THR N N 15 115.6987 0.1541 . 1 . . . . . 81 THR N . 53910 1 538 . 1 . 1 82 82 ALA H H 1 6.4302 0.0153 . 1 . . . . . 82 ALA H . 53910 1 539 . 1 . 1 82 82 ALA C C 13 175.2754 0.0889 . 1 . . . . . 82 ALA C . 53910 1 540 . 1 . 1 82 82 ALA CA C 13 51.9172 0.1037 . 1 . . . . . 82 ALA CA . 53910 1 541 . 1 . 1 82 82 ALA CB C 13 19.9083 0.7444 . 1 . . . . . 82 ALA CB . 53910 1 542 . 1 . 1 82 82 ALA N N 15 124.3143 0.1390 . 1 . . . . . 82 ALA N . 53910 1 543 . 1 . 1 83 83 GLY H H 1 8.2310 0.0184 . 1 . . . . . 83 GLY H . 53910 1 544 . 1 . 1 83 83 GLY C C 13 173.8121 0.0802 . 1 . . . . . 83 GLY C . 53910 1 545 . 1 . 1 83 83 GLY CA C 13 44.0810 0.1691 . 1 . . . . . 83 GLY CA . 53910 1 546 . 1 . 1 83 83 GLY N N 15 106.3973 0.1012 . 1 . . . . . 83 GLY N . 53910 1 547 . 1 . 1 84 84 LYS H H 1 9.8666 0.0171 . 1 . . . . . 84 LYS H . 53910 1 548 . 1 . 1 84 84 LYS C C 13 175.9850 0.1166 . 1 . . . . . 84 LYS C . 53910 1 549 . 1 . 1 84 84 LYS CA C 13 54.0263 0.0782 . 1 . . . . . 84 LYS CA . 53910 1 550 . 1 . 1 84 84 LYS CB C 13 31.3885 0.4264 . 1 . . . . . 84 LYS CB . 53910 1 551 . 1 . 1 84 84 LYS CG C 13 25.4740 0.0000 . 1 . . . . . 84 LYS CG . 53910 1 552 . 1 . 1 84 84 LYS N N 15 124.1364 0.1606 . 1 . . . . . 84 LYS N . 53910 1 553 . 1 . 1 85 85 PRO CA C 13 61.7242 0.0672 . 1 . . . . . 85 PRO CA . 53910 1 554 . 1 . 1 85 85 PRO CB C 13 32.6400 0.0000 . 1 . . . . . 85 PRO CB . 53910 1 555 . 1 . 1 85 85 PRO CG C 13 26.8540 0.0000 . 1 . . . . . 85 PRO CG . 53910 1 556 . 1 . 1 85 85 PRO CD C 13 50.6540 0.0000 . 1 . . . . . 85 PRO CD . 53910 1 557 . 1 . 1 85 85 PRO N N 15 134.7442 0.1482 . 1 . . . . . 85 PRO N . 53910 1 558 . 1 . 1 86 86 ARG H H 1 8.8560 0.0000 . 1 . . . . . 86 ARG H . 53910 1 559 . 1 . 1 86 86 ARG C C 13 173.8900 0.0920 . 1 . . . . . 86 ARG C . 53910 1 560 . 1 . 1 86 86 ARG CA C 13 59.5347 0.0101 . 1 . . . . . 86 ARG CA . 53910 1 561 . 1 . 1 86 86 ARG CB C 13 33.3470 0.0000 . 1 . . . . . 86 ARG CB . 53910 1 562 . 1 . 1 86 86 ARG N N 15 126.9945 0.1605 . 1 . . . . . 86 ARG N . 53910 1 563 . 1 . 1 87 87 LYS H H 1 8.2648 0.0123 . 1 . . . . . 87 LYS H . 53910 1 564 . 1 . 1 87 87 LYS C C 13 174.2123 0.1100 . 1 . . . . . 87 LYS C . 53910 1 565 . 1 . 1 87 87 LYS CA C 13 54.1600 0.2136 . 1 . . . . . 87 LYS CA . 53910 1 566 . 1 . 1 87 87 LYS CB C 13 33.0045 0.1138 . 1 . . . . . 87 LYS CB . 53910 1 567 . 1 . 1 87 87 LYS CG C 13 25.4770 0.0000 . 1 . . . . . 87 LYS CG . 53910 1 568 . 1 . 1 87 87 LYS N N 15 124.1037 0.0988 . 1 . . . . . 87 LYS N . 53910 1 569 . 1 . 1 88 88 ALA H H 1 8.1035 0.0346 . 1 . . . . . 88 ALA H . 53910 1 570 . 1 . 1 88 88 ALA N N 15 126.5860 0.1329 . 1 . . . . . 88 ALA N . 53910 1 571 . 1 . 1 89 89 ASP C C 13 176.0544 0.1296 . 1 . . . . . 89 ASP C . 53910 1 572 . 1 . 1 90 90 MET H H 1 7.6065 0.0021 . 1 . . . . . 90 MET H . 53910 1 573 . 1 . 1 90 90 MET HE1 H 1 2.0974 0.0000 . 1 . . . . . 90 MET HE . 53910 1 574 . 1 . 1 90 90 MET HE2 H 1 2.0974 0.0000 . 1 . . . . . 90 MET HE . 53910 1 575 . 1 . 1 90 90 MET HE3 H 1 2.0974 0.0000 . 1 . . . . . 90 MET HE . 53910 1 576 . 1 . 1 90 90 MET C C 13 176.4424 0.1594 . 1 . . . . . 90 MET C . 53910 1 577 . 1 . 1 90 90 MET CA C 13 55.4177 0.0859 . 1 . . . . . 90 MET CA . 53910 1 578 . 1 . 1 90 90 MET CB C 13 35.5590 0.4960 . 1 . . . . . 90 MET CB . 53910 1 579 . 1 . 1 90 90 MET CE C 13 17.4949 0.0000 . 1 . . . . . 90 MET CE . 53910 1 580 . 1 . 1 90 90 MET N N 15 119.9623 0.1541 . 1 . . . . . 90 MET N . 53910 1 581 . 1 . 1 91 91 SER H H 1 9.4458 0.0241 . 1 . . . . . 91 SER H . 53910 1 582 . 1 . 1 91 91 SER C C 13 175.6238 0.1114 . 1 . . . . . 91 SER C . 53910 1 583 . 1 . 1 91 91 SER CA C 13 57.2526 0.1432 . 1 . . . . . 91 SER CA . 53910 1 584 . 1 . 1 91 91 SER CB C 13 65.5738 0.2575 . 1 . . . . . 91 SER CB . 53910 1 585 . 1 . 1 91 91 SER N N 15 122.4164 0.2888 . 1 . . . . . 91 SER N . 53910 1 586 . 1 . 1 92 92 ARG H H 1 8.9388 0.0206 . 1 . . . . . 92 ARG H . 53910 1 587 . 1 . 1 92 92 ARG C C 13 178.9758 0.0926 . 1 . . . . . 92 ARG C . 53910 1 588 . 1 . 1 92 92 ARG CA C 13 60.1951 0.1039 . 1 . . . . . 92 ARG CA . 53910 1 589 . 1 . 1 92 92 ARG CB C 13 29.7613 0.5463 . 1 . . . . . 92 ARG CB . 53910 1 590 . 1 . 1 92 92 ARG N N 15 122.0608 0.2978 . 1 . . . . . 92 ARG N . 53910 1 591 . 1 . 1 93 93 ARG H H 1 8.2448 0.0079 . 1 . . . . . 93 ARG H . 53910 1 592 . 1 . 1 93 93 ARG C C 13 178.4407 0.1459 . 1 . . . . . 93 ARG C . 53910 1 593 . 1 . 1 93 93 ARG CA C 13 59.5848 0.4225 . 1 . . . . . 93 ARG CA . 53910 1 594 . 1 . 1 93 93 ARG CB C 13 29.5090 0.7547 . 1 . . . . . 93 ARG CB . 53910 1 595 . 1 . 1 93 93 ARG N N 15 119.5847 0.1338 . 1 . . . . . 93 ARG N . 53910 1 596 . 1 . 1 94 94 ASP H H 1 7.8464 0.0129 . 1 . . . . . 94 ASP H . 53910 1 597 . 1 . 1 94 94 ASP C C 13 179.2968 0.1158 . 1 . . . . . 94 ASP C . 53910 1 598 . 1 . 1 94 94 ASP CA C 13 57.5857 0.1213 . 1 . . . . . 94 ASP CA . 53910 1 599 . 1 . 1 94 94 ASP CB C 13 40.5373 0.1695 . 1 . . . . . 94 ASP CB . 53910 1 600 . 1 . 1 94 94 ASP CG C 13 179.2780 0.0000 . 1 . . . . . 94 ASP CG . 53910 1 601 . 1 . 1 94 94 ASP N N 15 120.9857 0.1527 . 1 . . . . . 94 ASP N . 53910 1 602 . 1 . 1 95 95 LEU H H 1 8.0622 0.0049 . 1 . . . . . 95 LEU H . 53910 1 603 . 1 . 1 95 95 LEU HD11 H 1 0.8099 0.0065 . 2 . . . . . 95 LEU HD1 . 53910 1 604 . 1 . 1 95 95 LEU HD12 H 1 0.8099 0.0065 . 2 . . . . . 95 LEU HD1 . 53910 1 605 . 1 . 1 95 95 LEU HD13 H 1 0.8099 0.0065 . 2 . . . . . 95 LEU HD1 . 53910 1 606 . 1 . 1 95 95 LEU HD21 H 1 0.7742 0.0007 . 2 . . . . . 95 LEU HD2 . 53910 1 607 . 1 . 1 95 95 LEU HD22 H 1 0.7742 0.0007 . 2 . . . . . 95 LEU HD2 . 53910 1 608 . 1 . 1 95 95 LEU HD23 H 1 0.7742 0.0007 . 2 . . . . . 95 LEU HD2 . 53910 1 609 . 1 . 1 95 95 LEU C C 13 178.7423 0.1095 . 1 . . . . . 95 LEU C . 53910 1 610 . 1 . 1 95 95 LEU CA C 13 57.5043 0.1530 . 1 . . . . . 95 LEU CA . 53910 1 611 . 1 . 1 95 95 LEU CB C 13 41.8364 0.4644 . 1 . . . . . 95 LEU CB . 53910 1 612 . 1 . 1 95 95 LEU CG C 13 26.6002 0.2008 . 1 . . . . . 95 LEU CG . 53910 1 613 . 1 . 1 95 95 LEU CD1 C 13 23.5565 0.0362 . 2 . . . . . 95 LEU CD1 . 53910 1 614 . 1 . 1 95 95 LEU CD2 C 13 26.5837 0.0276 . 2 . . . . . 95 LEU CD2 . 53910 1 615 . 1 . 1 95 95 LEU N N 15 120.9156 0.1384 . 1 . . . . . 95 LEU N . 53910 1 616 . 1 . 1 96 96 ALA H H 1 8.3685 0.0616 . 1 . . . . . 96 ALA H . 53910 1 617 . 1 . 1 96 96 ALA C C 13 178.8619 0.1006 . 1 . . . . . 96 ALA C . 53910 1 618 . 1 . 1 96 96 ALA CA C 13 54.9286 0.1322 . 1 . . . . . 96 ALA CA . 53910 1 619 . 1 . 1 96 96 ALA CB C 13 17.8057 0.4557 . 1 . . . . . 96 ALA CB . 53910 1 620 . 1 . 1 96 96 ALA N N 15 120.2220 0.1668 . 1 . . . . . 96 ALA N . 53910 1 621 . 1 . 1 97 97 ASN H H 1 8.2175 0.0176 . 1 . . . . . 97 ASN H . 53910 1 622 . 1 . 1 97 97 ASN C C 13 178.5462 0.0956 . 1 . . . . . 97 ASN C . 53910 1 623 . 1 . 1 97 97 ASN CA C 13 56.7772 0.1131 . 1 . . . . . 97 ASN CA . 53910 1 624 . 1 . 1 97 97 ASN CB C 13 39.2550 0.4335 . 1 . . . . . 97 ASN CB . 53910 1 625 . 1 . 1 97 97 ASN CG C 13 175.9285 0.2242 . 1 . . . . . 97 ASN CG . 53910 1 626 . 1 . 1 97 97 ASN N N 15 116.2253 0.1524 . 1 . . . . . 97 ASN N . 53910 1 627 . 1 . 1 98 98 VAL H H 1 7.8053 0.0415 . 1 . . . . . 98 VAL H . 53910 1 628 . 1 . 1 98 98 VAL HG11 H 1 1.0182 0.0063 . 2 . . . . . 98 VAL HG1 . 53910 1 629 . 1 . 1 98 98 VAL HG12 H 1 1.0182 0.0063 . 2 . . . . . 98 VAL HG1 . 53910 1 630 . 1 . 1 98 98 VAL HG13 H 1 1.0182 0.0063 . 2 . . . . . 98 VAL HG1 . 53910 1 631 . 1 . 1 98 98 VAL HG21 H 1 1.1085 0.0002 . 2 . . . . . 98 VAL HG2 . 53910 1 632 . 1 . 1 98 98 VAL HG22 H 1 1.1085 0.0002 . 2 . . . . . 98 VAL HG2 . 53910 1 633 . 1 . 1 98 98 VAL HG23 H 1 1.1085 0.0002 . 2 . . . . . 98 VAL HG2 . 53910 1 634 . 1 . 1 98 98 VAL C C 13 179.2366 0.1500 . 1 . . . . . 98 VAL C . 53910 1 635 . 1 . 1 98 98 VAL CA C 13 65.5859 0.1986 . 1 . . . . . 98 VAL CA . 53910 1 636 . 1 . 1 98 98 VAL CB C 13 32.1582 0.5336 . 1 . . . . . 98 VAL CB . 53910 1 637 . 1 . 1 98 98 VAL CG1 C 13 21.2525 0.0363 . 2 . . . . . 98 VAL CG1 . 53910 1 638 . 1 . 1 98 98 VAL CG2 C 13 22.3399 0.0597 . 2 . . . . . 98 VAL CG2 . 53910 1 639 . 1 . 1 98 98 VAL N N 15 118.3958 0.2243 . 1 . . . . . 98 VAL N . 53910 1 640 . 1 . 1 99 99 ASN H H 1 8.5382 0.0062 . 1 . . . . . 99 ASN H . 53910 1 641 . 1 . 1 99 99 ASN C C 13 178.5406 0.1294 . 1 . . . . . 99 ASN C . 53910 1 642 . 1 . 1 99 99 ASN CA C 13 54.8427 0.1687 . 1 . . . . . 99 ASN CA . 53910 1 643 . 1 . 1 99 99 ASN CB C 13 38.1998 0.3516 . 1 . . . . . 99 ASN CB . 53910 1 644 . 1 . 1 99 99 ASN CG C 13 175.8060 0.2263 . 1 . . . . . 99 ASN CG . 53910 1 645 . 1 . 1 99 99 ASN N N 15 119.2905 0.1605 . 1 . . . . . 99 ASN N . 53910 1 646 . 1 . 1 100 100 ALA H H 1 8.7900 0.0144 . 1 . . . . . 100 ALA H . 53910 1 647 . 1 . 1 100 100 ALA C C 13 179.7794 0.1182 . 1 . . . . . 100 ALA C . 53910 1 648 . 1 . 1 100 100 ALA CA C 13 55.8544 0.1193 . 1 . . . . . 100 ALA CA . 53910 1 649 . 1 . 1 100 100 ALA CB C 13 18.3725 0.7950 . 1 . . . . . 100 ALA CB . 53910 1 650 . 1 . 1 100 100 ALA N N 15 124.5181 0.0643 . 1 . . . . . 100 ALA N . 53910 1 651 . 1 . 1 101 101 GLN H H 1 7.1778 0.0161 . 1 . . . . . 101 GLN H . 53910 1 652 . 1 . 1 101 101 GLN C C 13 178.8073 0.0696 . 1 . . . . . 101 GLN C . 53910 1 653 . 1 . 1 101 101 GLN CA C 13 58.6029 0.0854 . 1 . . . . . 101 GLN CA . 53910 1 654 . 1 . 1 101 101 GLN CB C 13 28.3110 0.5123 . 1 . . . . . 101 GLN CB . 53910 1 655 . 1 . 1 101 101 GLN CD C 13 178.6310 0.1188 . 1 . . . . . 101 GLN CD . 53910 1 656 . 1 . 1 101 101 GLN N N 15 114.5662 0.1210 . 1 . . . . . 101 GLN N . 53910 1 657 . 1 . 1 102 102 ILE H H 1 6.8013 0.0164 . 1 . . . . . 102 ILE H . 53910 1 658 . 1 . 1 102 102 ILE HD11 H 1 1.0096 0.0022 . 1 . . . . . 102 ILE HD1 . 53910 1 659 . 1 . 1 102 102 ILE HD12 H 1 1.0096 0.0022 . 1 . . . . . 102 ILE HD1 . 53910 1 660 . 1 . 1 102 102 ILE HD13 H 1 1.0096 0.0022 . 1 . . . . . 102 ILE HD1 . 53910 1 661 . 1 . 1 102 102 ILE C C 13 178.8454 0.0781 . 1 . . . . . 102 ILE C . 53910 1 662 . 1 . 1 102 102 ILE CA C 13 64.4706 0.1428 . 1 . . . . . 102 ILE CA . 53910 1 663 . 1 . 1 102 102 ILE CB C 13 38.7108 0.4814 . 1 . . . . . 102 ILE CB . 53910 1 664 . 1 . 1 102 102 ILE CG1 C 13 29.0665 0.3950 . 1 . . . . . 102 ILE CG1 . 53910 1 665 . 1 . 1 102 102 ILE CD1 C 13 13.7904 0.0248 . 1 . . . . . 102 ILE CD1 . 53910 1 666 . 1 . 1 102 102 ILE N N 15 120.1733 0.1456 . 1 . . . . . 102 ILE N . 53910 1 667 . 1 . 1 103 103 ILE H H 1 8.3258 0.0299 . 1 . . . . . 103 ILE H . 53910 1 668 . 1 . 1 103 103 ILE HD11 H 1 0.7657 0.0047 . 1 . . . . . 103 ILE HD1 . 53910 1 669 . 1 . 1 103 103 ILE HD12 H 1 0.7657 0.0047 . 1 . . . . . 103 ILE HD1 . 53910 1 670 . 1 . 1 103 103 ILE HD13 H 1 0.7657 0.0047 . 1 . . . . . 103 ILE HD1 . 53910 1 671 . 1 . 1 103 103 ILE C C 13 178.3605 0.1762 . 1 . . . . . 103 ILE C . 53910 1 672 . 1 . 1 103 103 ILE CA C 13 61.6570 0.1944 . 1 . . . . . 103 ILE CA . 53910 1 673 . 1 . 1 103 103 ILE CB C 13 35.6107 0.4149 . 1 . . . . . 103 ILE CB . 53910 1 674 . 1 . 1 103 103 ILE CG1 C 13 28.3680 0.3506 . 1 . . . . . 103 ILE CG1 . 53910 1 675 . 1 . 1 103 103 ILE CG2 C 13 19.2980 0.2164 . 1 . . . . . 103 ILE CG2 . 53910 1 676 . 1 . 1 103 103 ILE CD1 C 13 9.4596 0.0677 . 1 . . . . . 103 ILE CD1 . 53910 1 677 . 1 . 1 103 103 ILE N N 15 121.0727 0.1467 . 1 . . . . . 103 ILE N . 53910 1 678 . 1 . 1 104 104 ARG H H 1 8.5838 0.0226 . 1 . . . . . 104 ARG H . 53910 1 679 . 1 . 1 104 104 ARG C C 13 178.3557 0.1669 . 1 . . . . . 104 ARG C . 53910 1 680 . 1 . 1 104 104 ARG CA C 13 60.7119 0.1339 . 1 . . . . . 104 ARG CA . 53910 1 681 . 1 . 1 104 104 ARG CB C 13 29.2295 0.0332 . 1 . . . . . 104 ARG CB . 53910 1 682 . 1 . 1 104 104 ARG CD C 13 43.6890 0.0000 . 1 . . . . . 104 ARG CD . 53910 1 683 . 1 . 1 104 104 ARG N N 15 120.6905 0.1245 . 1 . . . . . 104 ARG N . 53910 1 684 . 1 . 1 105 105 ASP H H 1 7.3910 0.0116 . 1 . . . . . 105 ASP H . 53910 1 685 . 1 . 1 105 105 ASP C C 13 178.5383 0.1002 . 1 . . . . . 105 ASP C . 53910 1 686 . 1 . 1 105 105 ASP CA C 13 57.6918 0.1645 . 1 . . . . . 105 ASP CA . 53910 1 687 . 1 . 1 105 105 ASP CB C 13 41.7052 0.3593 . 1 . . . . . 105 ASP CB . 53910 1 688 . 1 . 1 105 105 ASP N N 15 118.8085 0.1574 . 1 . . . . . 105 ASP N . 53910 1 689 . 1 . 1 106 106 ILE H H 1 7.8710 0.0142 . 1 . . . . . 106 ILE H . 53910 1 690 . 1 . 1 106 106 ILE HD11 H 1 0.7256 0.0031 . 1 . . . . . 106 ILE HD1 . 53910 1 691 . 1 . 1 106 106 ILE HD12 H 1 0.7256 0.0031 . 1 . . . . . 106 ILE HD1 . 53910 1 692 . 1 . 1 106 106 ILE HD13 H 1 0.7256 0.0031 . 1 . . . . . 106 ILE HD1 . 53910 1 693 . 1 . 1 106 106 ILE C C 13 178.6157 0.0736 . 1 . . . . . 106 ILE C . 53910 1 694 . 1 . 1 106 106 ILE CA C 13 65.9255 0.1362 . 1 . . . . . 106 ILE CA . 53910 1 695 . 1 . 1 106 106 ILE CB C 13 38.6790 0.4981 . 1 . . . . . 106 ILE CB . 53910 1 696 . 1 . 1 106 106 ILE CG1 C 13 30.0129 0.3885 . 1 . . . . . 106 ILE CG1 . 53910 1 697 . 1 . 1 106 106 ILE CD1 C 13 14.7521 0.0212 . 1 . . . . . 106 ILE CD1 . 53910 1 698 . 1 . 1 106 106 ILE N N 15 118.5705 0.1161 . 1 . . . . . 106 ILE N . 53910 1 699 . 1 . 1 107 107 GLY H H 1 8.7800 0.0065 . 1 . . . . . 107 GLY H . 53910 1 700 . 1 . 1 107 107 GLY C C 13 174.8164 0.0920 . 1 . . . . . 107 GLY C . 53910 1 701 . 1 . 1 107 107 GLY CA C 13 48.6469 0.1641 . 1 . . . . . 107 GLY CA . 53910 1 702 . 1 . 1 107 107 GLY N N 15 106.2335 0.1500 . 1 . . . . . 107 GLY N . 53910 1 703 . 1 . 1 108 108 ASP H H 1 8.3876 0.0198 . 1 . . . . . 108 ASP H . 53910 1 704 . 1 . 1 108 108 ASP C C 13 179.0532 0.0777 . 1 . . . . . 108 ASP C . 53910 1 705 . 1 . 1 108 108 ASP CA C 13 57.4537 0.1298 . 1 . . . . . 108 ASP CA . 53910 1 706 . 1 . 1 108 108 ASP CB C 13 41.9325 0.2926 . 1 . . . . . 108 ASP CB . 53910 1 707 . 1 . 1 108 108 ASP N N 15 121.2680 0.1126 . 1 . . . . . 108 ASP N . 53910 1 708 . 1 . 1 109 109 LYS H H 1 7.4198 0.0242 . 1 . . . . . 109 LYS H . 53910 1 709 . 1 . 1 109 109 LYS C C 13 178.6025 0.1517 . 1 . . . . . 109 LYS C . 53910 1 710 . 1 . 1 109 109 LYS CA C 13 58.3575 0.0940 . 1 . . . . . 109 LYS CA . 53910 1 711 . 1 . 1 109 109 LYS CB C 13 33.8912 0.6518 . 1 . . . . . 109 LYS CB . 53910 1 712 . 1 . 1 109 109 LYS CG C 13 26.8710 0.2489 . 1 . . . . . 109 LYS CG . 53910 1 713 . 1 . 1 109 109 LYS CD C 13 29.5415 0.0021 . 1 . . . . . 109 LYS CD . 53910 1 714 . 1 . 1 109 109 LYS N N 15 116.9082 0.1255 . 1 . . . . . 109 LYS N . 53910 1 715 . 1 . 1 110 110 LEU H H 1 7.6218 0.0167 . 1 . . . . . 110 LEU H . 53910 1 716 . 1 . 1 110 110 LEU HD11 H 1 0.8510 0.0032 . 2 . . . . . 110 LEU HD1 . 53910 1 717 . 1 . 1 110 110 LEU HD12 H 1 0.8510 0.0032 . 2 . . . . . 110 LEU HD1 . 53910 1 718 . 1 . 1 110 110 LEU HD13 H 1 0.8510 0.0032 . 2 . . . . . 110 LEU HD1 . 53910 1 719 . 1 . 1 110 110 LEU HD21 H 1 0.8632 0.0027 . 2 . . . . . 110 LEU HD2 . 53910 1 720 . 1 . 1 110 110 LEU HD22 H 1 0.8632 0.0027 . 2 . . . . . 110 LEU HD2 . 53910 1 721 . 1 . 1 110 110 LEU HD23 H 1 0.8632 0.0027 . 2 . . . . . 110 LEU HD2 . 53910 1 722 . 1 . 1 110 110 LEU C C 13 180.6787 0.1291 . 1 . . . . . 110 LEU C . 53910 1 723 . 1 . 1 110 110 LEU CA C 13 56.2640 0.1341 . 1 . . . . . 110 LEU CA . 53910 1 724 . 1 . 1 110 110 LEU CB C 13 44.2094 0.4423 . 1 . . . . . 110 LEU CB . 53910 1 725 . 1 . 1 110 110 LEU CD1 C 13 27.3090 1.8440 . 2 . . . . . 110 LEU CD1 . 53910 1 726 . 1 . 1 110 110 LEU CD2 C 13 24.1487 0.0122 . 2 . . . . . 110 LEU CD2 . 53910 1 727 . 1 . 1 110 110 LEU N N 15 117.1803 0.1734 . 1 . . . . . 110 LEU N . 53910 1 728 . 1 . 1 111 111 ARG H H 1 7.9462 0.0219 . 1 . . . . . 111 ARG H . 53910 1 729 . 1 . 1 111 111 ARG C C 13 179.1376 0.1085 . 1 . . . . . 111 ARG C . 53910 1 730 . 1 . 1 111 111 ARG CA C 13 59.7776 0.1021 . 1 . . . . . 111 ARG CA . 53910 1 731 . 1 . 1 111 111 ARG CB C 13 30.4887 0.7871 . 1 . . . . . 111 ARG CB . 53910 1 732 . 1 . 1 111 111 ARG CG C 13 27.0385 0.2383 . 1 . . . . . 111 ARG CG . 53910 1 733 . 1 . 1 111 111 ARG CD C 13 44.1240 0.0000 . 1 . . . . . 111 ARG CD . 53910 1 734 . 1 . 1 111 111 ARG N N 15 118.2338 0.2080 . 1 . . . . . 111 ARG N . 53910 1 735 . 1 . 1 112 112 ASP H H 1 8.9282 0.0058 . 1 . . . . . 112 ASP H . 53910 1 736 . 1 . 1 112 112 ASP C C 13 177.7429 0.0887 . 1 . . . . . 112 ASP C . 53910 1 737 . 1 . 1 112 112 ASP CA C 13 56.5015 0.1021 . 1 . . . . . 112 ASP CA . 53910 1 738 . 1 . 1 112 112 ASP CB C 13 40.5055 0.3528 . 1 . . . . . 112 ASP CB . 53910 1 739 . 1 . 1 112 112 ASP CG C 13 180.5430 0.2079 . 1 . . . . . 112 ASP CG . 53910 1 740 . 1 . 1 112 112 ASP N N 15 115.9615 0.1425 . 1 . . . . . 112 ASP N . 53910 1 741 . 1 . 1 113 113 ARG H H 1 7.5798 0.0236 . 1 . . . . . 113 ARG H . 53910 1 742 . 1 . 1 113 113 ARG C C 13 176.3495 0.0898 . 1 . . . . . 113 ARG C . 53910 1 743 . 1 . 1 113 113 ARG CA C 13 56.1067 0.1212 . 1 . . . . . 113 ARG CA . 53910 1 744 . 1 . 1 113 113 ARG CB C 13 31.9513 0.6610 . 1 . . . . . 113 ARG CB . 53910 1 745 . 1 . 1 113 113 ARG CG C 13 29.1320 0.0000 . 1 . . . . . 113 ARG CG . 53910 1 746 . 1 . 1 113 113 ARG CD C 13 40.8110 0.0000 . 1 . . . . . 113 ARG CD . 53910 1 747 . 1 . 1 113 113 ARG N N 15 116.8034 0.0895 . 1 . . . . . 113 ARG N . 53910 1 748 . 1 . 1 114 114 ASN H H 1 6.9615 0.0077 . 1 . . . . . 114 ASN H . 53910 1 749 . 1 . 1 114 114 ASN C C 13 172.2199 0.0739 . 1 . . . . . 114 ASN C . 53910 1 750 . 1 . 1 114 114 ASN CA C 13 52.5604 0.1292 . 1 . . . . . 114 ASN CA . 53910 1 751 . 1 . 1 114 114 ASN CB C 13 41.0453 0.3146 . 1 . . . . . 114 ASN CB . 53910 1 752 . 1 . 1 114 114 ASN N N 15 119.1039 0.1710 . 1 . . . . . 114 ASN N . 53910 1 753 . 1 . 1 115 115 PRO C C 13 180.0545 0.1413 . 1 . . . . . 115 PRO C . 53910 1 754 . 1 . 1 115 115 PRO CA C 13 63.8708 0.1311 . 1 . . . . . 115 PRO CA . 53910 1 755 . 1 . 1 115 115 PRO CB C 13 31.4550 0.5868 . 1 . . . . . 115 PRO CB . 53910 1 756 . 1 . 1 115 115 PRO CG C 13 28.2220 0.1513 . 1 . . . . . 115 PRO CG . 53910 1 757 . 1 . 1 115 115 PRO CD C 13 50.9920 0.2277 . 1 . . . . . 115 PRO CD . 53910 1 758 . 1 . 1 115 115 PRO N N 15 137.8749 0.0807 . 1 . . . . . 115 PRO N . 53910 1 759 . 1 . 1 116 116 GLY H H 1 9.1427 0.0066 . 1 . . . . . 116 GLY H . 53910 1 760 . 1 . 1 116 116 GLY C C 13 174.3122 0.1000 . 1 . . . . . 116 GLY C . 53910 1 761 . 1 . 1 116 116 GLY CA C 13 45.4901 0.1219 . 1 . . . . . 116 GLY CA . 53910 1 762 . 1 . 1 116 116 GLY N N 15 112.9583 0.1456 . 1 . . . . . 116 GLY N . 53910 1 763 . 1 . 1 117 117 ALA H H 1 7.5086 0.0011 . 1 . . . . . 117 ALA H . 53910 1 764 . 1 . 1 117 117 ALA C C 13 176.3913 0.0871 . 1 . . . . . 117 ALA C . 53910 1 765 . 1 . 1 117 117 ALA CA C 13 52.9604 0.1054 . 1 . . . . . 117 ALA CA . 53910 1 766 . 1 . 1 117 117 ALA CB C 13 18.6122 0.8500 . 1 . . . . . 117 ALA CB . 53910 1 767 . 1 . 1 117 117 ALA N N 15 123.3077 0.1321 . 1 . . . . . 117 ALA N . 53910 1 768 . 1 . 1 118 118 LEU H H 1 7.3050 0.0123 . 1 . . . . . 118 LEU H . 53910 1 769 . 1 . 1 118 118 LEU HD11 H 1 0.3473 0.0054 . 2 . . . . . 118 LEU HD1 . 53910 1 770 . 1 . 1 118 118 LEU HD12 H 1 0.3473 0.0054 . 2 . . . . . 118 LEU HD1 . 53910 1 771 . 1 . 1 118 118 LEU HD13 H 1 0.3473 0.0054 . 2 . . . . . 118 LEU HD1 . 53910 1 772 . 1 . 1 118 118 LEU HD21 H 1 0.3591 0.0000 . 2 . . . . . 118 LEU HD2 . 53910 1 773 . 1 . 1 118 118 LEU HD22 H 1 0.3591 0.0000 . 2 . . . . . 118 LEU HD2 . 53910 1 774 . 1 . 1 118 118 LEU HD23 H 1 0.3591 0.0000 . 2 . . . . . 118 LEU HD2 . 53910 1 775 . 1 . 1 118 118 LEU C C 13 175.8756 0.0959 . 1 . . . . . 118 LEU C . 53910 1 776 . 1 . 1 118 118 LEU CA C 13 53.9112 0.1186 . 1 . . . . . 118 LEU CA . 53910 1 777 . 1 . 1 118 118 LEU CB C 13 42.5595 0.5881 . 1 . . . . . 118 LEU CB . 53910 1 778 . 1 . 1 118 118 LEU CG C 13 26.8530 0.2065 . 1 . . . . . 118 LEU CG . 53910 1 779 . 1 . 1 118 118 LEU CD1 C 13 23.1528 0.1770 . 2 . . . . . 118 LEU CD1 . 53910 1 780 . 1 . 1 118 118 LEU CD2 C 13 25.9700 0.1333 . 2 . . . . . 118 LEU CD2 . 53910 1 781 . 1 . 1 118 118 LEU N N 15 120.2145 0.1634 . 1 . . . . . 118 LEU N . 53910 1 782 . 1 . 1 119 119 TYR H H 1 9.6124 0.0030 . 1 . . . . . 119 TYR H . 53910 1 783 . 1 . 1 119 119 TYR C C 13 174.6387 0.1284 . 1 . . . . . 119 TYR C . 53910 1 784 . 1 . 1 119 119 TYR CA C 13 57.0573 0.0961 . 1 . . . . . 119 TYR CA . 53910 1 785 . 1 . 1 119 119 TYR CB C 13 40.9943 0.5635 . 1 . . . . . 119 TYR CB . 53910 1 786 . 1 . 1 119 119 TYR N N 15 129.7641 0.1439 . 1 . . . . . 119 TYR N . 53910 1 787 . 1 . 1 120 120 VAL H H 1 9.2026 0.0121 . 1 . . . . . 120 VAL H . 53910 1 788 . 1 . 1 120 120 VAL HG21 H 1 0.4979 0.0000 . 1 . . . . . 120 VAL HG2 . 53910 1 789 . 1 . 1 120 120 VAL HG22 H 1 0.4979 0.0000 . 1 . . . . . 120 VAL HG2 . 53910 1 790 . 1 . 1 120 120 VAL HG23 H 1 0.4979 0.0000 . 1 . . . . . 120 VAL HG2 . 53910 1 791 . 1 . 1 120 120 VAL C C 13 175.0877 0.0855 . 1 . . . . . 120 VAL C . 53910 1 792 . 1 . 1 120 120 VAL CA C 13 60.0921 0.1154 . 1 . . . . . 120 VAL CA . 53910 1 793 . 1 . 1 120 120 VAL CB C 13 32.4880 0.6494 . 1 . . . . . 120 VAL CB . 53910 1 794 . 1 . 1 120 120 VAL CG1 C 13 20.0140 0.2899 . 1 . . . . . 120 VAL CG1 . 53910 1 795 . 1 . 1 120 120 VAL CG2 C 13 20.6364 0.4996 . 1 . . . . . 120 VAL CG2 . 53910 1 796 . 1 . 1 120 120 VAL N N 15 121.4076 0.1324 . 1 . . . . . 120 VAL N . 53910 1 797 . 1 . 1 121 121 VAL H H 1 9.7420 0.0054 . 1 . . . . . 121 VAL H . 53910 1 798 . 1 . 1 121 121 VAL HG11 H 1 0.8668 0.0058 . 2 . . . . . 121 VAL HG1 . 53910 1 799 . 1 . 1 121 121 VAL HG12 H 1 0.8668 0.0058 . 2 . . . . . 121 VAL HG1 . 53910 1 800 . 1 . 1 121 121 VAL HG13 H 1 0.8668 0.0058 . 2 . . . . . 121 VAL HG1 . 53910 1 801 . 1 . 1 121 121 VAL HG21 H 1 0.8730 0.0026 . 2 . . . . . 121 VAL HG2 . 53910 1 802 . 1 . 1 121 121 VAL HG22 H 1 0.8730 0.0026 . 2 . . . . . 121 VAL HG2 . 53910 1 803 . 1 . 1 121 121 VAL HG23 H 1 0.8730 0.0026 . 2 . . . . . 121 VAL HG2 . 53910 1 804 . 1 . 1 121 121 VAL C C 13 174.8809 0.1177 . 1 . . . . . 121 VAL C . 53910 1 805 . 1 . 1 121 121 VAL CA C 13 63.7924 0.1350 . 1 . . . . . 121 VAL CA . 53910 1 806 . 1 . 1 121 121 VAL CB C 13 32.9248 0.4419 . 1 . . . . . 121 VAL CB . 53910 1 807 . 1 . 1 121 121 VAL CG1 C 13 23.0575 0.0443 . 2 . . . . . 121 VAL CG1 . 53910 1 808 . 1 . 1 121 121 VAL CG2 C 13 24.9534 0.1702 . 2 . . . . . 121 VAL CG2 . 53910 1 809 . 1 . 1 121 121 VAL N N 15 129.4136 0.1018 . 1 . . . . . 121 VAL N . 53910 1 810 . 1 . 1 122 122 VAL H H 1 7.8098 0.0248 . 1 . . . . . 122 VAL H . 53910 1 811 . 1 . 1 122 122 VAL HG21 H 1 0.1053 0.0000 . 1 . . . . . 122 VAL HG2 . 53910 1 812 . 1 . 1 122 122 VAL HG22 H 1 0.1053 0.0000 . 1 . . . . . 122 VAL HG2 . 53910 1 813 . 1 . 1 122 122 VAL HG23 H 1 0.1053 0.0000 . 1 . . . . . 122 VAL HG2 . 53910 1 814 . 1 . 1 122 122 VAL C C 13 175.9837 0.0890 . 1 . . . . . 122 VAL C . 53910 1 815 . 1 . 1 122 122 VAL CA C 13 60.9486 0.1027 . 1 . . . . . 122 VAL CA . 53910 1 816 . 1 . 1 122 122 VAL CB C 13 33.3180 0.6126 . 1 . . . . . 122 VAL CB . 53910 1 817 . 1 . 1 122 122 VAL CG2 C 13 21.7856 0.3563 . 1 . . . . . 122 VAL CG2 . 53910 1 818 . 1 . 1 122 122 VAL N N 15 124.6069 0.0962 . 1 . . . . . 122 VAL N . 53910 1 819 . 1 . 1 123 123 THR H H 1 7.0048 0.0077 . 1 . . . . . 123 THR H . 53910 1 820 . 1 . 1 123 123 THR HG21 H 1 1.2862 0.0000 . 1 . . . . . 123 THR HG2 . 53910 1 821 . 1 . 1 123 123 THR HG22 H 1 1.2862 0.0000 . 1 . . . . . 123 THR HG2 . 53910 1 822 . 1 . 1 123 123 THR HG23 H 1 1.2862 0.0000 . 1 . . . . . 123 THR HG2 . 53910 1 823 . 1 . 1 123 123 THR C C 13 174.3872 0.0560 . 1 . . . . . 123 THR C . 53910 1 824 . 1 . 1 123 123 THR CA C 13 64.1038 0.0951 . 1 . . . . . 123 THR CA . 53910 1 825 . 1 . 1 123 123 THR CB C 13 70.4080 0.0863 . 1 . . . . . 123 THR CB . 53910 1 826 . 1 . 1 123 123 THR CG2 C 13 22.0486 0.0829 . 1 . . . . . 123 THR CG2 . 53910 1 827 . 1 . 1 123 123 THR N N 15 117.3423 0.1149 . 1 . . . . . 123 THR N . 53910 1 828 . 1 . 1 124 124 ASN H H 1 7.2475 0.0205 . 1 . . . . . 124 ASN H . 53910 1 829 . 1 . 1 124 124 ASN C C 13 177.8250 0.0000 . 1 . . . . . 124 ASN C . 53910 1 830 . 1 . 1 124 124 ASN CA C 13 63.7217 0.0586 . 1 . . . . . 124 ASN CA . 53910 1 831 . 1 . 1 124 124 ASN CB C 13 38.3020 0.0000 . 1 . . . . . 124 ASN CB . 53910 1 832 . 1 . 1 124 124 ASN CG C 13 174.1830 0.0000 . 1 . . . . . 124 ASN CG . 53910 1 833 . 1 . 1 124 124 ASN N N 15 120.8298 0.3341 . 1 . . . . . 124 ASN N . 53910 1 834 . 1 . 1 125 125 PRO C C 13 179.0298 0.0856 . 1 . . . . . 125 PRO C . 53910 1 835 . 1 . 1 125 125 PRO CA C 13 61.3525 0.0092 . 1 . . . . . 125 PRO CA . 53910 1 836 . 1 . 1 125 125 PRO CB C 13 32.7665 0.8733 . 1 . . . . . 125 PRO CB . 53910 1 837 . 1 . 1 126 126 VAL H H 1 8.8580 0.0041 . 1 . . . . . 126 VAL H . 53910 1 838 . 1 . 1 126 126 VAL HG11 H 1 0.9385 0.0052 . 2 . . . . . 126 VAL HG1 . 53910 1 839 . 1 . 1 126 126 VAL HG12 H 1 0.9385 0.0052 . 2 . . . . . 126 VAL HG1 . 53910 1 840 . 1 . 1 126 126 VAL HG13 H 1 0.9385 0.0052 . 2 . . . . . 126 VAL HG1 . 53910 1 841 . 1 . 1 126 126 VAL HG21 H 1 0.8823 0.0031 . 2 . . . . . 126 VAL HG2 . 53910 1 842 . 1 . 1 126 126 VAL HG22 H 1 0.8823 0.0031 . 2 . . . . . 126 VAL HG2 . 53910 1 843 . 1 . 1 126 126 VAL HG23 H 1 0.8823 0.0031 . 2 . . . . . 126 VAL HG2 . 53910 1 844 . 1 . 1 126 126 VAL C C 13 177.6519 0.1389 . 1 . . . . . 126 VAL C . 53910 1 845 . 1 . 1 126 126 VAL CA C 13 65.4076 0.2390 . 1 . . . . . 126 VAL CA . 53910 1 846 . 1 . 1 126 126 VAL CB C 13 31.5050 0.5489 . 1 . . . . . 126 VAL CB . 53910 1 847 . 1 . 1 126 126 VAL CG1 C 13 20.7663 0.1421 . 2 . . . . . 126 VAL CG1 . 53910 1 848 . 1 . 1 126 126 VAL CG2 C 13 23.8325 0.0826 . 2 . . . . . 126 VAL CG2 . 53910 1 849 . 1 . 1 126 126 VAL N N 15 132.8864 0.0898 . 1 . . . . . 126 VAL N . 53910 1 850 . 1 . 1 127 127 ASP H H 1 8.6390 0.0165 . 1 . . . . . 127 ASP H . 53910 1 851 . 1 . 1 127 127 ASP C C 13 178.1529 0.0929 . 1 . . . . . 127 ASP C . 53910 1 852 . 1 . 1 127 127 ASP CA C 13 58.7111 0.1151 . 1 . . . . . 127 ASP CA . 53910 1 853 . 1 . 1 127 127 ASP CB C 13 41.8218 0.3485 . 1 . . . . . 127 ASP CB . 53910 1 854 . 1 . 1 127 127 ASP CG C 13 180.1550 0.2065 . 1 . . . . . 127 ASP CG . 53910 1 855 . 1 . 1 127 127 ASP N N 15 125.8588 0.1095 . 1 . . . . . 127 ASP N . 53910 1 856 . 1 . 1 128 128 VAL H H 1 7.0793 0.0346 . 1 . . . . . 128 VAL H . 53910 1 857 . 1 . 1 128 128 VAL HG11 H 1 1.0313 0.0078 . 2 . . . . . 128 VAL HG1 . 53910 1 858 . 1 . 1 128 128 VAL HG12 H 1 1.0313 0.0078 . 2 . . . . . 128 VAL HG1 . 53910 1 859 . 1 . 1 128 128 VAL HG13 H 1 1.0313 0.0078 . 2 . . . . . 128 VAL HG1 . 53910 1 860 . 1 . 1 128 128 VAL HG21 H 1 1.1934 0.0016 . 2 . . . . . 128 VAL HG2 . 53910 1 861 . 1 . 1 128 128 VAL HG22 H 1 1.1934 0.0016 . 2 . . . . . 128 VAL HG2 . 53910 1 862 . 1 . 1 128 128 VAL HG23 H 1 1.1934 0.0016 . 2 . . . . . 128 VAL HG2 . 53910 1 863 . 1 . 1 128 128 VAL C C 13 178.8010 0.1327 . 1 . . . . . 128 VAL C . 53910 1 864 . 1 . 1 128 128 VAL CA C 13 65.8941 0.1722 . 1 . . . . . 128 VAL CA . 53910 1 865 . 1 . 1 128 128 VAL CB C 13 31.9815 0.7182 . 1 . . . . . 128 VAL CB . 53910 1 866 . 1 . 1 128 128 VAL CG1 C 13 23.8494 2.9542 . 2 . . . . . 128 VAL CG1 . 53910 1 867 . 1 . 1 128 128 VAL CG2 C 13 23.2383 0.0062 . 2 . . . . . 128 VAL CG2 . 53910 1 868 . 1 . 1 128 128 VAL N N 15 116.4792 0.1147 . 1 . . . . . 128 VAL N . 53910 1 869 . 1 . 1 129 129 MET H H 1 8.6732 0.0205 . 1 . . . . . 129 MET H . 53910 1 870 . 1 . 1 129 129 MET HE1 H 1 2.1509 0.0000 . 1 . . . . . 129 MET HE . 53910 1 871 . 1 . 1 129 129 MET HE2 H 1 2.1509 0.0000 . 1 . . . . . 129 MET HE . 53910 1 872 . 1 . 1 129 129 MET HE3 H 1 2.1509 0.0000 . 1 . . . . . 129 MET HE . 53910 1 873 . 1 . 1 129 129 MET C C 13 178.6500 0.1054 . 1 . . . . . 129 MET C . 53910 1 874 . 1 . 1 129 129 MET CA C 13 57.3233 0.1004 . 1 . . . . . 129 MET CA . 53910 1 875 . 1 . 1 129 129 MET CB C 13 34.5505 0.3698 . 1 . . . . . 129 MET CB . 53910 1 876 . 1 . 1 129 129 MET CE C 13 22.5847 0.0000 . 1 . . . . . 129 MET CE . 53910 1 877 . 1 . 1 129 129 MET N N 15 118.6422 0.1098 . 1 . . . . . 129 MET N . 53910 1 878 . 1 . 1 130 130 THR H H 1 8.1268 0.0314 . 1 . . . . . 130 THR H . 53910 1 879 . 1 . 1 130 130 THR HG21 H 1 0.7958 0.0000 . 1 . . . . . 130 THR HG2 . 53910 1 880 . 1 . 1 130 130 THR HG22 H 1 0.7958 0.0000 . 1 . . . . . 130 THR HG2 . 53910 1 881 . 1 . 1 130 130 THR HG23 H 1 0.7958 0.0000 . 1 . . . . . 130 THR HG2 . 53910 1 882 . 1 . 1 130 130 THR C C 13 176.6290 0.2185 . 1 . . . . . 130 THR C . 53910 1 883 . 1 . 1 130 130 THR CA C 13 68.1830 0.1214 . 1 . . . . . 130 THR CA . 53910 1 884 . 1 . 1 130 130 THR CB C 13 67.7325 0.0106 . 1 . . . . . 130 THR CB . 53910 1 885 . 1 . 1 130 130 THR CG2 C 13 21.1835 0.0332 . 1 . . . . . 130 THR CG2 . 53910 1 886 . 1 . 1 130 130 THR N N 15 118.7605 0.1558 . 1 . . . . . 130 THR N . 53910 1 887 . 1 . 1 131 131 MET H H 1 7.0070 0.0056 . 1 . . . . . 131 MET H . 53910 1 888 . 1 . 1 131 131 MET HE1 H 1 1.1643 0.0000 . 1 . . . . . 131 MET HE . 53910 1 889 . 1 . 1 131 131 MET HE2 H 1 1.1643 0.0000 . 1 . . . . . 131 MET HE . 53910 1 890 . 1 . 1 131 131 MET HE3 H 1 1.1643 0.0000 . 1 . . . . . 131 MET HE . 53910 1 891 . 1 . 1 131 131 MET C C 13 177.8182 0.0577 . 1 . . . . . 131 MET C . 53910 1 892 . 1 . 1 131 131 MET CA C 13 60.4160 0.1509 . 1 . . . . . 131 MET CA . 53910 1 893 . 1 . 1 131 131 MET CB C 13 33.8390 0.6617 . 1 . . . . . 131 MET CB . 53910 1 894 . 1 . 1 131 131 MET CE C 13 17.3451 0.0000 . 1 . . . . . 131 MET CE . 53910 1 895 . 1 . 1 131 131 MET N N 15 119.9842 0.2563 . 1 . . . . . 131 MET N . 53910 1 896 . 1 . 1 132 132 VAL H H 1 8.1084 0.0325 . 1 . . . . . 132 VAL H . 53910 1 897 . 1 . 1 132 132 VAL HG11 H 1 0.9939 0.0079 . 2 . . . . . 132 VAL HG1 . 53910 1 898 . 1 . 1 132 132 VAL HG12 H 1 0.9939 0.0079 . 2 . . . . . 132 VAL HG1 . 53910 1 899 . 1 . 1 132 132 VAL HG13 H 1 0.9939 0.0079 . 2 . . . . . 132 VAL HG1 . 53910 1 900 . 1 . 1 132 132 VAL HG21 H 1 1.1948 0.0013 . 2 . . . . . 132 VAL HG2 . 53910 1 901 . 1 . 1 132 132 VAL HG22 H 1 1.1948 0.0013 . 2 . . . . . 132 VAL HG2 . 53910 1 902 . 1 . 1 132 132 VAL HG23 H 1 1.1948 0.0013 . 2 . . . . . 132 VAL HG2 . 53910 1 903 . 1 . 1 132 132 VAL C C 13 178.7646 0.0806 . 1 . . . . . 132 VAL C . 53910 1 904 . 1 . 1 132 132 VAL CA C 13 66.2411 0.1361 . 1 . . . . . 132 VAL CA . 53910 1 905 . 1 . 1 132 132 VAL CB C 13 31.7328 0.3282 . 1 . . . . . 132 VAL CB . 53910 1 906 . 1 . 1 132 132 VAL CG1 C 13 22.2417 0.1211 . 2 . . . . . 132 VAL CG1 . 53910 1 907 . 1 . 1 132 132 VAL CG2 C 13 23.5238 0.1194 . 2 . . . . . 132 VAL CG2 . 53910 1 908 . 1 . 1 132 132 VAL N N 15 118.5166 0.1681 . 1 . . . . . 132 VAL N . 53910 1 909 . 1 . 1 133 133 LEU H H 1 8.3190 0.0136 . 1 . . . . . 133 LEU H . 53910 1 910 . 1 . 1 133 133 LEU HD11 H 1 0.6874 0.0028 . 2 . . . . . 133 LEU HD1 . 53910 1 911 . 1 . 1 133 133 LEU HD12 H 1 0.6874 0.0028 . 2 . . . . . 133 LEU HD1 . 53910 1 912 . 1 . 1 133 133 LEU HD13 H 1 0.6874 0.0028 . 2 . . . . . 133 LEU HD1 . 53910 1 913 . 1 . 1 133 133 LEU HD21 H 1 0.6569 0.0000 . 2 . . . . . 133 LEU HD2 . 53910 1 914 . 1 . 1 133 133 LEU HD22 H 1 0.6569 0.0000 . 2 . . . . . 133 LEU HD2 . 53910 1 915 . 1 . 1 133 133 LEU HD23 H 1 0.6569 0.0000 . 2 . . . . . 133 LEU HD2 . 53910 1 916 . 1 . 1 133 133 LEU C C 13 178.9092 0.0493 . 1 . . . . . 133 LEU C . 53910 1 917 . 1 . 1 133 133 LEU CA C 13 57.2183 0.1118 . 1 . . . . . 133 LEU CA . 53910 1 918 . 1 . 1 133 133 LEU CB C 13 38.8325 0.5799 . 1 . . . . . 133 LEU CB . 53910 1 919 . 1 . 1 133 133 LEU CG C 13 26.3855 0.1195 . 1 . . . . . 133 LEU CG . 53910 1 920 . 1 . 1 133 133 LEU CD1 C 13 23.3825 0.1277 . 2 . . . . . 133 LEU CD1 . 53910 1 921 . 1 . 1 133 133 LEU CD2 C 13 27.6250 0.0256 . 2 . . . . . 133 LEU CD2 . 53910 1 922 . 1 . 1 133 133 LEU N N 15 119.0560 0.1762 . 1 . . . . . 133 LEU N . 53910 1 923 . 1 . 1 134 134 ASP H H 1 8.5124 0.0228 . 1 . . . . . 134 ASP H . 53910 1 924 . 1 . 1 134 134 ASP C C 13 178.5721 0.1145 . 1 . . . . . 134 ASP C . 53910 1 925 . 1 . 1 134 134 ASP CA C 13 58.3783 0.1783 . 1 . . . . . 134 ASP CA . 53910 1 926 . 1 . 1 134 134 ASP CB C 13 43.2125 0.3979 . 1 . . . . . 134 ASP CB . 53910 1 927 . 1 . 1 134 134 ASP N N 15 122.5871 0.1666 . 1 . . . . . 134 ASP N . 53910 1 928 . 1 . 1 135 135 ASP H H 1 8.0087 0.0469 . 1 . . . . . 135 ASP H . 53910 1 929 . 1 . 1 135 135 ASP C C 13 178.5878 0.0716 . 1 . . . . . 135 ASP C . 53910 1 930 . 1 . 1 135 135 ASP CA C 13 57.3118 0.1162 . 1 . . . . . 135 ASP CA . 53910 1 931 . 1 . 1 135 135 ASP CB C 13 40.1415 0.2680 . 1 . . . . . 135 ASP CB . 53910 1 932 . 1 . 1 135 135 ASP CG C 13 179.9700 0.2630 . 1 . . . . . 135 ASP CG . 53910 1 933 . 1 . 1 135 135 ASP N N 15 118.4538 0.1602 . 1 . . . . . 135 ASP N . 53910 1 934 . 1 . 1 136 136 VAL H H 1 7.2427 0.0159 . 1 . . . . . 136 VAL H . 53910 1 935 . 1 . 1 136 136 VAL HG11 H 1 0.8785 0.0076 . 2 . . . . . 136 VAL HG1 . 53910 1 936 . 1 . 1 136 136 VAL HG12 H 1 0.8785 0.0076 . 2 . . . . . 136 VAL HG1 . 53910 1 937 . 1 . 1 136 136 VAL HG13 H 1 0.8785 0.0076 . 2 . . . . . 136 VAL HG1 . 53910 1 938 . 1 . 1 136 136 VAL HG21 H 1 1.1443 0.0005 . 2 . . . . . 136 VAL HG2 . 53910 1 939 . 1 . 1 136 136 VAL HG22 H 1 1.1443 0.0005 . 2 . . . . . 136 VAL HG2 . 53910 1 940 . 1 . 1 136 136 VAL HG23 H 1 1.1443 0.0005 . 2 . . . . . 136 VAL HG2 . 53910 1 941 . 1 . 1 136 136 VAL C C 13 177.8806 0.1074 . 1 . . . . . 136 VAL C . 53910 1 942 . 1 . 1 136 136 VAL CA C 13 64.8521 0.1433 . 1 . . . . . 136 VAL CA . 53910 1 943 . 1 . 1 136 136 VAL CB C 13 32.9127 0.5597 . 1 . . . . . 136 VAL CB . 53910 1 944 . 1 . 1 136 136 VAL CG1 C 13 21.4138 0.0871 . 2 . . . . . 136 VAL CG1 . 53910 1 945 . 1 . 1 136 136 VAL CG2 C 13 22.8007 0.1786 . 2 . . . . . 136 VAL CG2 . 53910 1 946 . 1 . 1 136 136 VAL N N 15 118.9973 0.1310 . 1 . . . . . 136 VAL N . 53910 1 947 . 1 . 1 137 137 ILE H H 1 8.5374 0.0124 . 1 . . . . . 137 ILE H . 53910 1 948 . 1 . 1 137 137 ILE HD11 H 1 0.2007 0.0012 . 1 . . . . . 137 ILE HD1 . 53910 1 949 . 1 . 1 137 137 ILE HD12 H 1 0.2007 0.0012 . 1 . . . . . 137 ILE HD1 . 53910 1 950 . 1 . 1 137 137 ILE HD13 H 1 0.2007 0.0012 . 1 . . . . . 137 ILE HD1 . 53910 1 951 . 1 . 1 137 137 ILE C C 13 179.1413 0.1225 . 1 . . . . . 137 ILE C . 53910 1 952 . 1 . 1 137 137 ILE CA C 13 60.6802 0.1429 . 1 . . . . . 137 ILE CA . 53910 1 953 . 1 . 1 137 137 ILE CB C 13 36.0865 0.5747 . 1 . . . . . 137 ILE CB . 53910 1 954 . 1 . 1 137 137 ILE CG1 C 13 26.1701 0.0930 . 1 . . . . . 137 ILE CG1 . 53910 1 955 . 1 . 1 137 137 ILE CG2 C 13 17.5905 0.1945 . 1 . . . . . 137 ILE CG2 . 53910 1 956 . 1 . 1 137 137 ILE CD1 C 13 9.0631 0.0271 . 1 . . . . . 137 ILE CD1 . 53910 1 957 . 1 . 1 137 137 ILE N N 15 120.5543 0.2284 . 1 . . . . . 137 ILE N . 53910 1 958 . 1 . 1 138 138 GLY H H 1 8.3714 0.0061 . 1 . . . . . 138 GLY H . 53910 1 959 . 1 . 1 138 138 GLY C C 13 175.8745 0.1183 . 1 . . . . . 138 GLY C . 53910 1 960 . 1 . 1 138 138 GLY CA C 13 46.9921 0.1400 . 1 . . . . . 138 GLY CA . 53910 1 961 . 1 . 1 138 138 GLY N N 15 109.6838 0.0515 . 1 . . . . . 138 GLY N . 53910 1 962 . 1 . 1 139 139 SER H H 1 8.6742 0.0139 . 1 . . . . . 139 SER H . 53910 1 963 . 1 . 1 139 139 SER C C 13 176.4264 0.0748 . 1 . . . . . 139 SER C . 53910 1 964 . 1 . 1 139 139 SER CA C 13 59.2625 0.1299 . 1 . . . . . 139 SER CA . 53910 1 965 . 1 . 1 139 139 SER CB C 13 63.5478 0.2852 . 1 . . . . . 139 SER CB . 53910 1 966 . 1 . 1 139 139 SER N N 15 119.0925 0.2106 . 1 . . . . . 139 SER N . 53910 1 967 . 1 . 1 140 140 LYS H H 1 7.8128 0.0100 . 1 . . . . . 140 LYS H . 53910 1 968 . 1 . 1 140 140 LYS C C 13 175.5757 0.0709 . 1 . . . . . 140 LYS C . 53910 1 969 . 1 . 1 140 140 LYS CA C 13 57.2874 0.1203 . 1 . . . . . 140 LYS CA . 53910 1 970 . 1 . 1 140 140 LYS CB C 13 31.7372 0.5564 . 1 . . . . . 140 LYS CB . 53910 1 971 . 1 . 1 140 140 LYS CG C 13 26.5105 0.2963 . 1 . . . . . 140 LYS CG . 53910 1 972 . 1 . 1 140 140 LYS N N 15 121.4667 0.1297 . 1 . . . . . 140 LYS N . 53910 1 973 . 1 . 1 141 141 GLY H H 1 7.3808 0.0058 . 1 . . . . . 141 GLY H . 53910 1 974 . 1 . 1 141 141 GLY C C 13 170.9327 0.1246 . 1 . . . . . 141 GLY C . 53910 1 975 . 1 . 1 141 141 GLY CA C 13 45.2990 0.0709 . 1 . . . . . 141 GLY CA . 53910 1 976 . 1 . 1 141 141 GLY N N 15 109.1342 0.1158 . 1 . . . . . 141 GLY N . 53910 1 977 . 1 . 1 142 142 THR H H 1 8.8560 0.0069 . 1 . . . . . 142 THR H . 53910 1 978 . 1 . 1 142 142 THR HG21 H 1 1.1074 0.0000 . 1 . . . . . 142 THR HG2 . 53910 1 979 . 1 . 1 142 142 THR HG22 H 1 1.1074 0.0000 . 1 . . . . . 142 THR HG2 . 53910 1 980 . 1 . 1 142 142 THR HG23 H 1 1.1074 0.0000 . 1 . . . . . 142 THR HG2 . 53910 1 981 . 1 . 1 142 142 THR C C 13 173.4871 0.1380 . 1 . . . . . 142 THR C . 53910 1 982 . 1 . 1 142 142 THR CA C 13 62.4398 0.1315 . 1 . . . . . 142 THR CA . 53910 1 983 . 1 . 1 142 142 THR CB C 13 71.0733 0.2313 . 1 . . . . . 142 THR CB . 53910 1 984 . 1 . 1 142 142 THR CG2 C 13 22.0278 0.1629 . 1 . . . . . 142 THR CG2 . 53910 1 985 . 1 . 1 142 142 THR N N 15 118.0330 0.1170 . 1 . . . . . 142 THR N . 53910 1 986 . 1 . 1 143 143 VAL H H 1 8.3223 0.0125 . 1 . . . . . 143 VAL H . 53910 1 987 . 1 . 1 143 143 VAL HG11 H 1 0.9093 0.0030 . 2 . . . . . 143 VAL HG1 . 53910 1 988 . 1 . 1 143 143 VAL HG12 H 1 0.9093 0.0030 . 2 . . . . . 143 VAL HG1 . 53910 1 989 . 1 . 1 143 143 VAL HG13 H 1 0.9093 0.0030 . 2 . . . . . 143 VAL HG1 . 53910 1 990 . 1 . 1 143 143 VAL HG21 H 1 0.6710 0.0023 . 2 . . . . . 143 VAL HG2 . 53910 1 991 . 1 . 1 143 143 VAL HG22 H 1 0.6710 0.0023 . 2 . . . . . 143 VAL HG2 . 53910 1 992 . 1 . 1 143 143 VAL HG23 H 1 0.6710 0.0023 . 2 . . . . . 143 VAL HG2 . 53910 1 993 . 1 . 1 143 143 VAL C C 13 175.0246 0.1151 . 1 . . . . . 143 VAL C . 53910 1 994 . 1 . 1 143 143 VAL CA C 13 62.5193 0.1721 . 1 . . . . . 143 VAL CA . 53910 1 995 . 1 . 1 143 143 VAL CB C 13 32.8528 0.5603 . 1 . . . . . 143 VAL CB . 53910 1 996 . 1 . 1 143 143 VAL CG1 C 13 22.9125 0.2010 . 2 . . . . . 143 VAL CG1 . 53910 1 997 . 1 . 1 143 143 VAL CG2 C 13 22.5242 0.4401 . 2 . . . . . 143 VAL CG2 . 53910 1 998 . 1 . 1 143 143 VAL N N 15 128.3853 0.1415 . 1 . . . . . 143 VAL N . 53910 1 999 . 1 . 1 144 144 ILE H H 1 9.0026 0.0044 . 1 . . . . . 144 ILE H . 53910 1 1000 . 1 . 1 144 144 ILE HD11 H 1 0.5837 0.0144 . 1 . . . . . 144 ILE HD1 . 53910 1 1001 . 1 . 1 144 144 ILE HD12 H 1 0.5837 0.0144 . 1 . . . . . 144 ILE HD1 . 53910 1 1002 . 1 . 1 144 144 ILE HD13 H 1 0.5837 0.0144 . 1 . . . . . 144 ILE HD1 . 53910 1 1003 . 1 . 1 144 144 ILE C C 13 173.9067 0.0844 . 1 . . . . . 144 ILE C . 53910 1 1004 . 1 . 1 144 144 ILE CA C 13 59.0996 0.1799 . 1 . . . . . 144 ILE CA . 53910 1 1005 . 1 . 1 144 144 ILE CB C 13 42.7147 0.5275 . 1 . . . . . 144 ILE CB . 53910 1 1006 . 1 . 1 144 144 ILE CG1 C 13 26.4730 0.2164 . 1 . . . . . 144 ILE CG1 . 53910 1 1007 . 1 . 1 144 144 ILE CG2 C 13 19.6410 0.1810 . 1 . . . . . 144 ILE CG2 . 53910 1 1008 . 1 . 1 144 144 ILE CD1 C 13 14.8288 0.1380 . 1 . . . . . 144 ILE CD1 . 53910 1 1009 . 1 . 1 144 144 ILE N N 15 120.2082 0.1013 . 1 . . . . . 144 ILE N . 53910 1 1010 . 1 . 1 145 145 GLY H H 1 9.2948 0.0051 . 1 . . . . . 145 GLY H . 53910 1 1011 . 1 . 1 145 145 GLY C C 13 176.3599 0.0809 . 1 . . . . . 145 GLY C . 53910 1 1012 . 1 . 1 145 145 GLY CA C 13 44.2288 0.1452 . 1 . . . . . 145 GLY CA . 53910 1 1013 . 1 . 1 145 145 GLY N N 15 108.1326 0.0969 . 1 . . . . . 145 GLY N . 53910 1 1014 . 1 . 1 146 146 THR H H 1 8.3674 0.0111 . 1 . . . . . 146 THR H . 53910 1 1015 . 1 . 1 146 146 THR HG21 H 1 0.9528 0.0000 . 1 . . . . . 146 THR HG2 . 53910 1 1016 . 1 . 1 146 146 THR HG22 H 1 0.9528 0.0000 . 1 . . . . . 146 THR HG2 . 53910 1 1017 . 1 . 1 146 146 THR HG23 H 1 0.9528 0.0000 . 1 . . . . . 146 THR HG2 . 53910 1 1018 . 1 . 1 146 146 THR C C 13 178.7987 0.0867 . 1 . . . . . 146 THR C . 53910 1 1019 . 1 . 1 146 146 THR CA C 13 65.5895 0.1575 . 1 . . . . . 146 THR CA . 53910 1 1020 . 1 . 1 146 146 THR CB C 13 66.7743 0.1569 . 1 . . . . . 146 THR CB . 53910 1 1021 . 1 . 1 146 146 THR CG2 C 13 25.5816 0.1770 . 1 . . . . . 146 THR CG2 . 53910 1 1022 . 1 . 1 146 146 THR N N 15 112.2577 0.1970 . 1 . . . . . 146 THR N . 53910 1 1023 . 1 . 1 147 147 GLY H H 1 6.2743 0.0108 . 1 . . . . . 147 GLY H . 53910 1 1024 . 1 . 1 147 147 GLY C C 13 174.7782 0.0819 . 1 . . . . . 147 GLY C . 53910 1 1025 . 1 . 1 147 147 GLY CA C 13 48.0453 0.1532 . 1 . . . . . 147 GLY CA . 53910 1 1026 . 1 . 1 147 147 GLY N N 15 105.2160 0.1282 . 1 . . . . . 147 GLY N . 53910 1 1027 . 1 . 1 148 148 THR H H 1 8.6720 0.0080 . 1 . . . . . 148 THR H . 53910 1 1028 . 1 . 1 148 148 THR HG21 H 1 0.7233 0.0000 . 1 . . . . . 148 THR HG2 . 53910 1 1029 . 1 . 1 148 148 THR HG22 H 1 0.7233 0.0000 . 1 . . . . . 148 THR HG2 . 53910 1 1030 . 1 . 1 148 148 THR HG23 H 1 0.7233 0.0000 . 1 . . . . . 148 THR HG2 . 53910 1 1031 . 1 . 1 148 148 THR C C 13 177.7866 0.0868 . 1 . . . . . 148 THR C . 53910 1 1032 . 1 . 1 148 148 THR CA C 13 61.7760 0.1536 . 1 . . . . . 148 THR CA . 53910 1 1033 . 1 . 1 148 148 THR CB C 13 66.0138 0.3677 . 1 . . . . . 148 THR CB . 53910 1 1034 . 1 . 1 148 148 THR CG2 C 13 21.4952 0.1863 . 1 . . . . . 148 THR CG2 . 53910 1 1035 . 1 . 1 148 148 THR N N 15 115.7076 0.3105 . 1 . . . . . 148 THR N . 53910 1 1036 . 1 . 1 149 149 SER H H 1 8.1775 0.0552 . 1 . . . . . 149 SER H . 53910 1 1037 . 1 . 1 149 149 SER C C 13 176.7770 0.0000 . 1 . . . . . 149 SER C . 53910 1 1038 . 1 . 1 149 149 SER CA C 13 63.2387 0.1289 . 1 . . . . . 149 SER CA . 53910 1 1039 . 1 . 1 149 149 SER CB C 13 61.7215 0.0926 . 1 . . . . . 149 SER CB . 53910 1 1040 . 1 . 1 149 149 SER N N 15 123.8386 0.2184 . 1 . . . . . 149 SER N . 53910 1 1041 . 1 . 1 150 150 LEU HD11 H 1 0.8556 0.0047 . 2 . . . . . 150 LEU HD1 . 53910 1 1042 . 1 . 1 150 150 LEU HD12 H 1 0.8556 0.0047 . 2 . . . . . 150 LEU HD1 . 53910 1 1043 . 1 . 1 150 150 LEU HD13 H 1 0.8556 0.0047 . 2 . . . . . 150 LEU HD1 . 53910 1 1044 . 1 . 1 150 150 LEU HD21 H 1 0.9112 0.0015 . 2 . . . . . 150 LEU HD2 . 53910 1 1045 . 1 . 1 150 150 LEU HD22 H 1 0.9112 0.0015 . 2 . . . . . 150 LEU HD2 . 53910 1 1046 . 1 . 1 150 150 LEU HD23 H 1 0.9112 0.0015 . 2 . . . . . 150 LEU HD2 . 53910 1 1047 . 1 . 1 150 150 LEU C C 13 180.3533 0.0283 . 1 . . . . . 150 LEU C . 53910 1 1048 . 1 . 1 150 150 LEU CA C 13 57.5857 0.0410 . 1 . . . . . 150 LEU CA . 53910 1 1049 . 1 . 1 150 150 LEU CB C 13 41.1130 1.3194 . 1 . . . . . 150 LEU CB . 53910 1 1050 . 1 . 1 150 150 LEU CD1 C 13 23.7162 0.0856 . 2 . . . . . 150 LEU CD1 . 53910 1 1051 . 1 . 1 150 150 LEU CD2 C 13 25.2579 0.2155 . 2 . . . . . 150 LEU CD2 . 53910 1 1052 . 1 . 1 150 150 LEU N N 15 123.7770 0.0000 . 1 . . . . . 150 LEU N . 53910 1 1053 . 1 . 1 151 151 ASP H H 1 8.6338 0.0142 . 1 . . . . . 151 ASP H . 53910 1 1054 . 1 . 1 151 151 ASP C C 13 179.1670 0.0000 . 1 . . . . . 151 ASP C . 53910 1 1055 . 1 . 1 151 151 ASP CA C 13 57.5540 0.0000 . 1 . . . . . 151 ASP CA . 53910 1 1056 . 1 . 1 151 151 ASP N N 15 123.7916 0.0823 . 1 . . . . . 151 ASP N . 53910 1 1057 . 1 . 1 152 152 THR HG21 H 1 0.8754 0.0000 . 1 . . . . . 152 THR HG2 . 53910 1 1058 . 1 . 1 152 152 THR HG22 H 1 0.8754 0.0000 . 1 . . . . . 152 THR HG2 . 53910 1 1059 . 1 . 1 152 152 THR HG23 H 1 0.8754 0.0000 . 1 . . . . . 152 THR HG2 . 53910 1 1060 . 1 . 1 152 152 THR CG2 C 13 21.0988 0.0000 . 1 . . . . . 152 THR CG2 . 53910 1 1061 . 1 . 1 156 156 ARG C C 13 178.2251 0.0774 . 1 . . . . . 156 ARG C . 53910 1 1062 . 1 . 1 156 156 ARG CA C 13 60.4960 0.0000 . 1 . . . . . 156 ARG CA . 53910 1 1063 . 1 . 1 156 156 ARG CB C 13 30.6530 0.0000 . 1 . . . . . 156 ARG CB . 53910 1 1064 . 1 . 1 157 157 ALA H H 1 7.9220 0.0000 . 1 . . . . . 157 ALA H . 53910 1 1065 . 1 . 1 157 157 ALA C C 13 179.8184 0.1209 . 1 . . . . . 157 ALA C . 53910 1 1066 . 1 . 1 157 157 ALA CA C 13 55.1560 0.0995 . 1 . . . . . 157 ALA CA . 53910 1 1067 . 1 . 1 157 157 ALA CB C 13 18.4715 0.2638 . 1 . . . . . 157 ALA CB . 53910 1 1068 . 1 . 1 157 157 ALA N N 15 119.7797 0.1335 . 1 . . . . . 157 ALA N . 53910 1 1069 . 1 . 1 158 158 ALA C C 13 179.3140 0.1340 . 1 . . . . . 158 ALA C . 53910 1 1070 . 1 . 1 158 158 ALA CA C 13 55.4038 0.1444 . 1 . . . . . 158 ALA CA . 53910 1 1071 . 1 . 1 158 158 ALA CB C 13 20.7355 0.1959 . 1 . . . . . 158 ALA CB . 53910 1 1072 . 1 . 1 158 158 ALA N N 15 123.0540 0.1052 . 1 . . . . . 158 ALA N . 53910 1 1073 . 1 . 1 159 159 VAL H H 1 7.8318 0.0989 . 1 . . . . . 159 VAL H . 53910 1 1074 . 1 . 1 159 159 VAL HG21 H 1 0.2460 0.0000 . 1 . . . . . 159 VAL HG2 . 53910 1 1075 . 1 . 1 159 159 VAL HG22 H 1 0.2460 0.0000 . 1 . . . . . 159 VAL HG2 . 53910 1 1076 . 1 . 1 159 159 VAL HG23 H 1 0.2460 0.0000 . 1 . . . . . 159 VAL HG2 . 53910 1 1077 . 1 . 1 159 159 VAL C C 13 177.6500 0.0946 . 1 . . . . . 159 VAL C . 53910 1 1078 . 1 . 1 159 159 VAL CA C 13 67.1655 0.1370 . 1 . . . . . 159 VAL CA . 53910 1 1079 . 1 . 1 159 159 VAL CB C 13 31.2790 0.5861 . 1 . . . . . 159 VAL CB . 53910 1 1080 . 1 . 1 159 159 VAL CG1 C 13 23.5545 0.1648 . 1 . . . . . 159 VAL CG1 . 53910 1 1081 . 1 . 1 159 159 VAL CG2 C 13 24.3502 0.2573 . 1 . . . . . 159 VAL CG2 . 53910 1 1082 . 1 . 1 159 159 VAL N N 15 118.0899 0.1724 . 1 . . . . . 159 VAL N . 53910 1 1083 . 1 . 1 160 160 SER H H 1 7.8770 0.1004 . 1 . . . . . 160 SER H . 53910 1 1084 . 1 . 1 160 160 SER C C 13 177.1422 0.0709 . 1 . . . . . 160 SER C . 53910 1 1085 . 1 . 1 160 160 SER CA C 13 60.5070 0.1405 . 1 . . . . . 160 SER CA . 53910 1 1086 . 1 . 1 160 160 SER CB C 13 64.0107 0.2601 . 1 . . . . . 160 SER CB . 53910 1 1087 . 1 . 1 160 160 SER N N 15 112.3221 0.2262 . 1 . . . . . 160 SER N . 53910 1 1088 . 1 . 1 161 161 GLU H H 1 7.8030 0.0104 . 1 . . . . . 161 GLU H . 53910 1 1089 . 1 . 1 161 161 GLU C C 13 180.0336 0.1244 . 1 . . . . . 161 GLU C . 53910 1 1090 . 1 . 1 161 161 GLU CA C 13 59.0012 0.0976 . 1 . . . . . 161 GLU CA . 53910 1 1091 . 1 . 1 161 161 GLU CB C 13 30.0000 0.6293 . 1 . . . . . 161 GLU CB . 53910 1 1092 . 1 . 1 161 161 GLU N N 15 119.5381 0.1710 . 1 . . . . . 161 GLU N . 53910 1 1093 . 1 . 1 162 162 LEU H H 1 8.3046 0.0286 . 1 . . . . . 162 LEU H . 53910 1 1094 . 1 . 1 162 162 LEU HD11 H 1 0.4755 0.0007 . 2 . . . . . 162 LEU HD1 . 53910 1 1095 . 1 . 1 162 162 LEU HD12 H 1 0.4755 0.0007 . 2 . . . . . 162 LEU HD1 . 53910 1 1096 . 1 . 1 162 162 LEU HD13 H 1 0.4755 0.0007 . 2 . . . . . 162 LEU HD1 . 53910 1 1097 . 1 . 1 162 162 LEU HD21 H 1 0.3549 0.0017 . 2 . . . . . 162 LEU HD2 . 53910 1 1098 . 1 . 1 162 162 LEU HD22 H 1 0.3549 0.0017 . 2 . . . . . 162 LEU HD2 . 53910 1 1099 . 1 . 1 162 162 LEU HD23 H 1 0.3549 0.0017 . 2 . . . . . 162 LEU HD2 . 53910 1 1100 . 1 . 1 162 162 LEU C C 13 178.9477 0.1290 . 1 . . . . . 162 LEU C . 53910 1 1101 . 1 . 1 162 162 LEU CA C 13 57.2724 0.4226 . 1 . . . . . 162 LEU CA . 53910 1 1102 . 1 . 1 162 162 LEU CB C 13 41.4040 0.5142 . 1 . . . . . 162 LEU CB . 53910 1 1103 . 1 . 1 162 162 LEU CG C 13 27.2040 0.3564 . 1 . . . . . 162 LEU CG . 53910 1 1104 . 1 . 1 162 162 LEU CD1 C 13 26.3214 0.0614 . 2 . . . . . 162 LEU CD1 . 53910 1 1105 . 1 . 1 162 162 LEU CD2 C 13 21.7739 0.0057 . 2 . . . . . 162 LEU CD2 . 53910 1 1106 . 1 . 1 162 162 LEU N N 15 118.2788 0.4679 . 1 . . . . . 162 LEU N . 53910 1 1107 . 1 . 1 163 163 LEU H H 1 8.1352 0.0256 . 1 . . . . . 163 LEU H . 53910 1 1108 . 1 . 1 163 163 LEU HD11 H 1 0.7705 0.0051 . 2 . . . . . 163 LEU HD1 . 53910 1 1109 . 1 . 1 163 163 LEU HD12 H 1 0.7705 0.0051 . 2 . . . . . 163 LEU HD1 . 53910 1 1110 . 1 . 1 163 163 LEU HD13 H 1 0.7705 0.0051 . 2 . . . . . 163 LEU HD1 . 53910 1 1111 . 1 . 1 163 163 LEU HD21 H 1 0.8091 0.0010 . 2 . . . . . 163 LEU HD2 . 53910 1 1112 . 1 . 1 163 163 LEU HD22 H 1 0.8091 0.0010 . 2 . . . . . 163 LEU HD2 . 53910 1 1113 . 1 . 1 163 163 LEU HD23 H 1 0.8091 0.0010 . 2 . . . . . 163 LEU HD2 . 53910 1 1114 . 1 . 1 163 163 LEU C C 13 176.0986 0.3967 . 1 . . . . . 163 LEU C . 53910 1 1115 . 1 . 1 163 163 LEU CA C 13 55.2169 0.1725 . 1 . . . . . 163 LEU CA . 53910 1 1116 . 1 . 1 163 163 LEU CB C 13 40.8317 0.3494 . 1 . . . . . 163 LEU CB . 53910 1 1117 . 1 . 1 163 163 LEU CG C 13 27.6751 0.0000 . 1 . . . . . 163 LEU CG . 53910 1 1118 . 1 . 1 163 163 LEU CD1 C 13 25.7872 1.4270 . 2 . . . . . 163 LEU CD1 . 53910 1 1119 . 1 . 1 163 163 LEU CD2 C 13 24.9696 0.0230 . 2 . . . . . 163 LEU CD2 . 53910 1 1120 . 1 . 1 163 163 LEU N N 15 115.9380 0.4537 . 1 . . . . . 163 LEU N . 53910 1 1121 . 1 . 1 164 164 ASN H H 1 7.5788 0.0366 . 1 . . . . . 164 ASN H . 53910 1 1122 . 1 . 1 164 164 ASN C C 13 174.7195 0.0741 . 1 . . . . . 164 ASN C . 53910 1 1123 . 1 . 1 164 164 ASN CA C 13 54.3245 0.1157 . 1 . . . . . 164 ASN CA . 53910 1 1124 . 1 . 1 164 164 ASN CB C 13 37.1135 0.3420 . 1 . . . . . 164 ASN CB . 53910 1 1125 . 1 . 1 164 164 ASN CG C 13 178.8420 0.2843 . 1 . . . . . 164 ASN CG . 53910 1 1126 . 1 . 1 164 164 ASN N N 15 118.5311 0.2003 . 1 . . . . . 164 ASN N . 53910 1 1127 . 1 . 1 165 165 VAL H H 1 8.0968 0.0122 . 1 . . . . . 165 VAL H . 53910 1 1128 . 1 . 1 165 165 VAL HG11 H 1 0.7749 0.0030 . 2 . . . . . 165 VAL HG1 . 53910 1 1129 . 1 . 1 165 165 VAL HG12 H 1 0.7749 0.0030 . 2 . . . . . 165 VAL HG1 . 53910 1 1130 . 1 . 1 165 165 VAL HG13 H 1 0.7749 0.0030 . 2 . . . . . 165 VAL HG1 . 53910 1 1131 . 1 . 1 165 165 VAL HG21 H 1 0.5507 0.0043 . 2 . . . . . 165 VAL HG2 . 53910 1 1132 . 1 . 1 165 165 VAL HG22 H 1 0.5507 0.0043 . 2 . . . . . 165 VAL HG2 . 53910 1 1133 . 1 . 1 165 165 VAL HG23 H 1 0.5507 0.0043 . 2 . . . . . 165 VAL HG2 . 53910 1 1134 . 1 . 1 165 165 VAL C C 13 173.0325 0.2072 . 1 . . . . . 165 VAL C . 53910 1 1135 . 1 . 1 165 165 VAL CA C 13 57.2219 0.1833 . 1 . . . . . 165 VAL CA . 53910 1 1136 . 1 . 1 165 165 VAL CB C 13 32.6054 0.2817 . 1 . . . . . 165 VAL CB . 53910 1 1137 . 1 . 1 165 165 VAL CG1 C 13 21.5963 0.8825 . 2 . . . . . 165 VAL CG1 . 53910 1 1138 . 1 . 1 165 165 VAL CG2 C 13 19.5119 0.9507 . 2 . . . . . 165 VAL CG2 . 53910 1 1139 . 1 . 1 165 165 VAL N N 15 111.2763 0.2656 . 1 . . . . . 165 VAL N . 53910 1 1140 . 1 . 1 166 166 PRO C C 13 179.7148 0.1908 . 1 . . . . . 166 PRO C . 53910 1 1141 . 1 . 1 166 166 PRO CA C 13 59.7277 0.1781 . 1 . . . . . 166 PRO CA . 53910 1 1142 . 1 . 1 166 166 PRO CB C 13 32.1170 1.0904 . 1 . . . . . 166 PRO CB . 53910 1 1143 . 1 . 1 166 166 PRO CD C 13 51.0400 0.0000 . 1 . . . . . 166 PRO CD . 53910 1 1144 . 1 . 1 166 166 PRO N N 15 120.2790 0.0000 . 1 . . . . . 166 PRO N . 53910 1 1145 . 1 . 1 167 167 ILE H H 1 8.5992 0.0209 . 1 . . . . . 167 ILE H . 53910 1 1146 . 1 . 1 167 167 ILE HD11 H 1 1.0276 0.0116 . 1 . . . . . 167 ILE HD1 . 53910 1 1147 . 1 . 1 167 167 ILE HD12 H 1 1.0276 0.0116 . 1 . . . . . 167 ILE HD1 . 53910 1 1148 . 1 . 1 167 167 ILE HD13 H 1 1.0276 0.0116 . 1 . . . . . 167 ILE HD1 . 53910 1 1149 . 1 . 1 167 167 ILE C C 13 176.8712 0.1655 . 1 . . . . . 167 ILE C . 53910 1 1150 . 1 . 1 167 167 ILE CA C 13 61.1783 0.2371 . 1 . . . . . 167 ILE CA . 53910 1 1151 . 1 . 1 167 167 ILE CB C 13 37.6110 0.1983 . 1 . . . . . 167 ILE CB . 53910 1 1152 . 1 . 1 167 167 ILE CG1 C 13 30.1653 0.0316 . 1 . . . . . 167 ILE CG1 . 53910 1 1153 . 1 . 1 167 167 ILE CD1 C 13 14.7418 0.0189 . 1 . . . . . 167 ILE CD1 . 53910 1 1154 . 1 . 1 167 167 ILE N N 15 123.4003 0.3270 . 1 . . . . . 167 ILE N . 53910 1 1155 . 1 . 1 168 168 VAL C C 13 173.1542 0.1210 . 1 . . . . . 168 VAL C . 53910 1 1156 . 1 . 1 168 168 VAL CA C 13 62.0578 0.1521 . 1 . . . . . 168 VAL CA . 53910 1 1157 . 1 . 1 168 168 VAL CB C 13 30.5355 0.3599 . 1 . . . . . 168 VAL CB . 53910 1 1158 . 1 . 1 168 168 VAL CG1 C 13 18.7880 0.1824 . 1 . . . . . 168 VAL CG1 . 53910 1 1159 . 1 . 1 168 168 VAL N N 15 108.8919 0.2162 . 1 . . . . . 168 VAL N . 53910 1 1160 . 1 . 1 169 169 ALA C C 13 178.9027 0.1015 . 1 . . . . . 169 ALA C . 53910 1 1161 . 1 . 1 169 169 ALA CA C 13 52.4872 0.1444 . 1 . . . . . 169 ALA CA . 53910 1 1162 . 1 . 1 169 169 ALA CB C 13 19.8650 0.6924 . 1 . . . . . 169 ALA CB . 53910 1 1163 . 1 . 1 169 169 ALA N N 15 118.3196 0.0632 . 1 . . . . . 169 ALA N . 53910 1 1164 . 1 . 1 170 170 VAL H H 1 7.2542 0.0283 . 1 . . . . . 170 VAL H . 53910 1 1165 . 1 . 1 170 170 VAL HG21 H 1 0.7478 0.0066 . 1 . . . . . 170 VAL HG2 . 53910 1 1166 . 1 . 1 170 170 VAL HG22 H 1 0.7478 0.0066 . 1 . . . . . 170 VAL HG2 . 53910 1 1167 . 1 . 1 170 170 VAL HG23 H 1 0.7478 0.0066 . 1 . . . . . 170 VAL HG2 . 53910 1 1168 . 1 . 1 170 170 VAL C C 13 173.4018 0.0697 . 1 . . . . . 170 VAL C . 53910 1 1169 . 1 . 1 170 170 VAL CA C 13 63.0301 0.1854 . 1 . . . . . 170 VAL CA . 53910 1 1170 . 1 . 1 170 170 VAL CB C 13 33.2244 0.5410 . 1 . . . . . 170 VAL CB . 53910 1 1171 . 1 . 1 170 170 VAL CG1 C 13 21.8810 0.2531 . 2 . . . . . 170 VAL CG1 . 53910 1 1172 . 1 . 1 170 170 VAL CG2 C 13 21.7041 0.1677 . 2 . . . . . 170 VAL CG2 . 53910 1 1173 . 1 . 1 170 170 VAL N N 15 121.6212 0.1657 . 1 . . . . . 170 VAL N . 53910 1 1174 . 1 . 1 171 171 ASP H H 1 8.8240 0.0109 . 1 . . . . . 171 ASP H . 53910 1 1175 . 1 . 1 171 171 ASP C C 13 176.3553 0.0841 . 1 . . . . . 171 ASP C . 53910 1 1176 . 1 . 1 171 171 ASP CA C 13 50.2281 0.1221 . 1 . . . . . 171 ASP CA . 53910 1 1177 . 1 . 1 171 171 ASP CB C 13 44.3832 0.2226 . 1 . . . . . 171 ASP CB . 53910 1 1178 . 1 . 1 171 171 ASP CG C 13 183.1890 0.1541 . 1 . . . . . 171 ASP CG . 53910 1 1179 . 1 . 1 171 171 ASP N N 15 125.6431 0.1283 . 1 . . . . . 171 ASP N . 53910 1 1180 . 1 . 1 172 172 GLY H H 1 7.9590 0.0194 . 1 . . . . . 172 GLY H . 53910 1 1181 . 1 . 1 172 172 GLY C C 13 175.0350 0.0927 . 1 . . . . . 172 GLY C . 53910 1 1182 . 1 . 1 172 172 GLY CA C 13 43.9716 0.1463 . 1 . . . . . 172 GLY CA . 53910 1 1183 . 1 . 1 172 172 GLY N N 15 105.4765 0.1011 . 1 . . . . . 172 GLY N . 53910 1 1184 . 1 . 1 173 173 TYR H H 1 7.3125 0.0203 . 1 . . . . . 173 TYR H . 53910 1 1185 . 1 . 1 173 173 TYR C C 13 172.9203 0.0825 . 1 . . . . . 173 TYR C . 53910 1 1186 . 1 . 1 173 173 TYR CA C 13 58.1305 0.1285 . 1 . . . . . 173 TYR CA . 53910 1 1187 . 1 . 1 173 173 TYR CB C 13 41.5250 0.6130 . 1 . . . . . 173 TYR CB . 53910 1 1188 . 1 . 1 173 173 TYR N N 15 117.8298 0.2353 . 1 . . . . . 173 TYR N . 53910 1 1189 . 1 . 1 174 174 VAL H H 1 7.7506 0.0055 . 1 . . . . . 174 VAL H . 53910 1 1190 . 1 . 1 174 174 VAL HG21 H 1 0.0926 0.0000 . 1 . . . . . 174 VAL HG2 . 53910 1 1191 . 1 . 1 174 174 VAL HG22 H 1 0.0926 0.0000 . 1 . . . . . 174 VAL HG2 . 53910 1 1192 . 1 . 1 174 174 VAL HG23 H 1 0.0926 0.0000 . 1 . . . . . 174 VAL HG2 . 53910 1 1193 . 1 . 1 174 174 VAL C C 13 176.3927 0.1157 . 1 . . . . . 174 VAL C . 53910 1 1194 . 1 . 1 174 174 VAL CA C 13 61.4629 0.1416 . 1 . . . . . 174 VAL CA . 53910 1 1195 . 1 . 1 174 174 VAL CB C 13 32.2425 0.6906 . 1 . . . . . 174 VAL CB . 53910 1 1196 . 1 . 1 174 174 VAL CG1 C 13 21.9025 0.2411 . 2 . . . . . 174 VAL CG1 . 53910 1 1197 . 1 . 1 174 174 VAL CG2 C 13 21.0499 0.0000 . 2 . . . . . 174 VAL CG2 . 53910 1 1198 . 1 . 1 174 174 VAL N N 15 123.5149 0.2143 . 1 . . . . . 174 VAL N . 53910 1 1199 . 1 . 1 175 175 VAL H H 1 8.4610 0.0163 . 1 . . . . . 175 VAL H . 53910 1 1200 . 1 . 1 175 175 VAL HG21 H 1 -0.2016 0.0051 . 1 . . . . . 175 VAL HG2 . 53910 1 1201 . 1 . 1 175 175 VAL HG22 H 1 -0.2016 0.0051 . 1 . . . . . 175 VAL HG2 . 53910 1 1202 . 1 . 1 175 175 VAL HG23 H 1 -0.2016 0.0051 . 1 . . . . . 175 VAL HG2 . 53910 1 1203 . 1 . 1 175 175 VAL C C 13 173.0843 0.0771 . 1 . . . . . 175 VAL C . 53910 1 1204 . 1 . 1 175 175 VAL CA C 13 59.6091 0.1585 . 1 . . . . . 175 VAL CA . 53910 1 1205 . 1 . 1 175 175 VAL CB C 13 34.3960 0.6446 . 1 . . . . . 175 VAL CB . 53910 1 1206 . 1 . 1 175 175 VAL CG1 C 13 20.5054 2.2716 . 1 . . . . . 175 VAL CG1 . 53910 1 1207 . 1 . 1 175 175 VAL CG2 C 13 20.4426 2.5856 . 1 . . . . . 175 VAL CG2 . 53910 1 1208 . 1 . 1 175 175 VAL N N 15 119.9139 0.1762 . 1 . . . . . 175 VAL N . 53910 1 1209 . 1 . 1 176 176 GLY H H 1 8.3272 0.0095 . 1 . . . . . 176 GLY H . 53910 1 1210 . 1 . 1 176 176 GLY C C 13 173.1345 0.1383 . 1 . . . . . 176 GLY C . 53910 1 1211 . 1 . 1 176 176 GLY CA C 13 44.3792 0.1588 . 1 . . . . . 176 GLY CA . 53910 1 1212 . 1 . 1 176 176 GLY N N 15 103.7562 0.1299 . 1 . . . . . 176 GLY N . 53910 1 1213 . 1 . 1 177 177 GLU H H 1 8.7266 0.0234 . 1 . . . . . 177 GLU H . 53910 1 1214 . 1 . 1 177 177 GLU C C 13 175.1000 0.0495 . 1 . . . . . 177 GLU C . 53910 1 1215 . 1 . 1 177 177 GLU CA C 13 54.2060 0.0885 . 1 . . . . . 177 GLU CA . 53910 1 1216 . 1 . 1 177 177 GLU CB C 13 31.6605 0.4815 . 1 . . . . . 177 GLU CB . 53910 1 1217 . 1 . 1 177 177 GLU CG C 13 35.8540 0.0000 . 1 . . . . . 177 GLU CG . 53910 1 1218 . 1 . 1 177 177 GLU CD C 13 182.3760 0.0000 . 1 . . . . . 177 GLU CD . 53910 1 1219 . 1 . 1 177 177 GLU N N 15 129.7593 0.3231 . 1 . . . . . 177 GLU N . 53910 1 1220 . 1 . 1 178 178 HIS C C 13 175.6653 0.0390 . 1 . . . . . 178 HIS C . 53910 1 1221 . 1 . 1 178 178 HIS CA C 13 59.5850 0.0000 . 1 . . . . . 178 HIS CA . 53910 1 1222 . 1 . 1 179 179 GLY H H 1 8.0175 0.0233 . 1 . . . . . 179 GLY H . 53910 1 1223 . 1 . 1 179 179 GLY C C 13 174.9210 0.0000 . 1 . . . . . 179 GLY C . 53910 1 1224 . 1 . 1 179 179 GLY CA C 13 44.2625 0.2025 . 1 . . . . . 179 GLY CA . 53910 1 1225 . 1 . 1 179 179 GLY N N 15 117.4950 0.6794 . 1 . . . . . 179 GLY N . 53910 1 1226 . 1 . 1 180 180 GLU H H 1 8.7190 0.0000 . 1 . . . . . 180 GLU H . 53910 1 1227 . 1 . 1 180 180 GLU C C 13 176.9777 0.1707 . 1 . . . . . 180 GLU C . 53910 1 1228 . 1 . 1 180 180 GLU CA C 13 56.8420 2.8115 . 1 . . . . . 180 GLU CA . 53910 1 1229 . 1 . 1 180 180 GLU CB C 13 29.2730 0.0000 . 1 . . . . . 180 GLU CB . 53910 1 1230 . 1 . 1 180 180 GLU N N 15 118.1200 0.0000 . 1 . . . . . 180 GLU N . 53910 1 1231 . 1 . 1 181 181 GLU H H 1 8.8172 0.0030 . 1 . . . . . 181 GLU H . 53910 1 1232 . 1 . 1 181 181 GLU C C 13 176.2232 0.0421 . 1 . . . . . 181 GLU C . 53910 1 1233 . 1 . 1 181 181 GLU CA C 13 55.8540 0.1605 . 1 . . . . . 181 GLU CA . 53910 1 1234 . 1 . 1 181 181 GLU CB C 13 28.1590 0.0467 . 1 . . . . . 181 GLU CB . 53910 1 1235 . 1 . 1 181 181 GLU N N 15 121.8612 0.1476 . 1 . . . . . 181 GLU N . 53910 1 1236 . 1 . 1 182 182 ALA H H 1 7.6208 0.0089 . 1 . . . . . 182 ALA H . 53910 1 1237 . 1 . 1 182 182 ALA C C 13 177.9937 0.0963 . 1 . . . . . 182 ALA C . 53910 1 1238 . 1 . 1 182 182 ALA CA C 13 52.6367 0.1355 . 1 . . . . . 182 ALA CA . 53910 1 1239 . 1 . 1 182 182 ALA CB C 13 19.5400 0.2418 . 1 . . . . . 182 ALA CB . 53910 1 1240 . 1 . 1 182 182 ALA N N 15 130.3839 0.1285 . 1 . . . . . 182 ALA N . 53910 1 1241 . 1 . 1 183 183 PHE H H 1 8.5484 0.0099 . 1 . . . . . 183 PHE H . 53910 1 1242 . 1 . 1 183 183 PHE C C 13 173.2722 0.1019 . 1 . . . . . 183 PHE C . 53910 1 1243 . 1 . 1 183 183 PHE CA C 13 54.4721 0.1169 . 1 . . . . . 183 PHE CA . 53910 1 1244 . 1 . 1 183 183 PHE CB C 13 41.4035 0.2227 . 1 . . . . . 183 PHE CB . 53910 1 1245 . 1 . 1 183 183 PHE N N 15 118.8232 0.0959 . 1 . . . . . 183 PHE N . 53910 1 1246 . 1 . 1 184 184 VAL H H 1 8.7167 0.0036 . 1 . . . . . 184 VAL H . 53910 1 1247 . 1 . 1 184 184 VAL HG21 H 1 0.8410 0.0000 . 1 . . . . . 184 VAL HG2 . 53910 1 1248 . 1 . 1 184 184 VAL HG22 H 1 0.8410 0.0000 . 1 . . . . . 184 VAL HG2 . 53910 1 1249 . 1 . 1 184 184 VAL HG23 H 1 0.8410 0.0000 . 1 . . . . . 184 VAL HG2 . 53910 1 1250 . 1 . 1 184 184 VAL C C 13 176.3926 0.0743 . 1 . . . . . 184 VAL C . 53910 1 1251 . 1 . 1 184 184 VAL CA C 13 62.2798 0.1681 . 1 . . . . . 184 VAL CA . 53910 1 1252 . 1 . 1 184 184 VAL CB C 13 31.8223 0.5829 . 1 . . . . . 184 VAL CB . 53910 1 1253 . 1 . 1 184 184 VAL CG1 C 13 19.6135 0.3048 . 2 . . . . . 184 VAL CG1 . 53910 1 1254 . 1 . 1 184 184 VAL CG2 C 13 21.8800 0.4674 . 2 . . . . . 184 VAL CG2 . 53910 1 1255 . 1 . 1 184 184 VAL N N 15 122.6571 0.0885 . 1 . . . . . 184 VAL N . 53910 1 1256 . 1 . 1 185 185 ALA H H 1 8.1630 0.0049 . 1 . . . . . 185 ALA H . 53910 1 1257 . 1 . 1 185 185 ALA C C 13 177.5238 0.1200 . 1 . . . . . 185 ALA C . 53910 1 1258 . 1 . 1 185 185 ALA CA C 13 49.5613 0.1144 . 1 . . . . . 185 ALA CA . 53910 1 1259 . 1 . 1 185 185 ALA CB C 13 16.3320 0.6195 . 1 . . . . . 185 ALA CB . 53910 1 1260 . 1 . 1 185 185 ALA N N 15 130.3149 0.0881 . 1 . . . . . 185 ALA N . 53910 1 1261 . 1 . 1 186 186 TRP H H 1 7.8842 0.0101 . 1 . . . . . 186 TRP H . 53910 1 1262 . 1 . 1 186 186 TRP C C 13 179.3328 0.1378 . 1 . . . . . 186 TRP C . 53910 1 1263 . 1 . 1 186 186 TRP CA C 13 61.4878 0.1258 . 1 . . . . . 186 TRP CA . 53910 1 1264 . 1 . 1 186 186 TRP CB C 13 29.2420 0.5075 . 1 . . . . . 186 TRP CB . 53910 1 1265 . 1 . 1 186 186 TRP N N 15 127.8718 0.1560 . 1 . . . . . 186 TRP N . 53910 1 1266 . 1 . 1 187 187 SER H H 1 10.6052 0.0159 . 1 . . . . . 187 SER H . 53910 1 1267 . 1 . 1 187 187 SER C C 13 176.8119 0.0987 . 1 . . . . . 187 SER C . 53910 1 1268 . 1 . 1 187 187 SER CA C 13 62.4508 0.1471 . 1 . . . . . 187 SER CA . 53910 1 1269 . 1 . 1 187 187 SER CB C 13 61.5282 0.3332 . 1 . . . . . 187 SER CB . 53910 1 1270 . 1 . 1 187 187 SER N N 15 120.6527 0.1048 . 1 . . . . . 187 SER N . 53910 1 1271 . 1 . 1 188 188 THR H H 1 8.3047 0.0122 . 1 . . . . . 188 THR H . 53910 1 1272 . 1 . 1 188 188 THR HG21 H 1 1.3470 0.0000 . 1 . . . . . 188 THR HG2 . 53910 1 1273 . 1 . 1 188 188 THR HG22 H 1 1.3470 0.0000 . 1 . . . . . 188 THR HG2 . 53910 1 1274 . 1 . 1 188 188 THR HG23 H 1 1.3470 0.0000 . 1 . . . . . 188 THR HG2 . 53910 1 1275 . 1 . 1 188 188 THR C C 13 174.9124 0.1035 . 1 . . . . . 188 THR C . 53910 1 1276 . 1 . 1 188 188 THR CA C 13 62.1639 0.1426 . 1 . . . . . 188 THR CA . 53910 1 1277 . 1 . 1 188 188 THR CB C 13 71.8238 0.1458 . 1 . . . . . 188 THR CB . 53910 1 1278 . 1 . 1 188 188 THR CG2 C 13 22.6943 0.1510 . 1 . . . . . 188 THR CG2 . 53910 1 1279 . 1 . 1 188 188 THR N N 15 112.0265 0.1609 . 1 . . . . . 188 THR N . 53910 1 1280 . 1 . 1 189 189 VAL H H 1 7.3543 0.0146 . 1 . . . . . 189 VAL H . 53910 1 1281 . 1 . 1 189 189 VAL HG11 H 1 0.8896 0.0035 . 2 . . . . . 189 VAL HG1 . 53910 1 1282 . 1 . 1 189 189 VAL HG12 H 1 0.8896 0.0035 . 2 . . . . . 189 VAL HG1 . 53910 1 1283 . 1 . 1 189 189 VAL HG13 H 1 0.8896 0.0035 . 2 . . . . . 189 VAL HG1 . 53910 1 1284 . 1 . 1 189 189 VAL HG21 H 1 0.5965 0.0023 . 2 . . . . . 189 VAL HG2 . 53910 1 1285 . 1 . 1 189 189 VAL HG22 H 1 0.5965 0.0023 . 2 . . . . . 189 VAL HG2 . 53910 1 1286 . 1 . 1 189 189 VAL HG23 H 1 0.5965 0.0023 . 2 . . . . . 189 VAL HG2 . 53910 1 1287 . 1 . 1 189 189 VAL C C 13 175.7487 0.0751 . 1 . . . . . 189 VAL C . 53910 1 1288 . 1 . 1 189 189 VAL CA C 13 63.2011 1.6055 . 1 . . . . . 189 VAL CA . 53910 1 1289 . 1 . 1 189 189 VAL CB C 13 31.2076 0.5187 . 1 . . . . . 189 VAL CB . 53910 1 1290 . 1 . 1 189 189 VAL CG1 C 13 21.8637 0.5165 . 2 . . . . . 189 VAL CG1 . 53910 1 1291 . 1 . 1 189 189 VAL CG2 C 13 22.5618 0.1643 . 2 . . . . . 189 VAL CG2 . 53910 1 1292 . 1 . 1 189 189 VAL N N 15 123.9986 0.1488 . 1 . . . . . 189 VAL N . 53910 1 1293 . 1 . 1 190 190 THR H H 1 7.5756 0.0053 . 1 . . . . . 190 THR H . 53910 1 1294 . 1 . 1 190 190 THR HG21 H 1 0.8388 0.0000 . 1 . . . . . 190 THR HG2 . 53910 1 1295 . 1 . 1 190 190 THR HG22 H 1 0.8388 0.0000 . 1 . . . . . 190 THR HG2 . 53910 1 1296 . 1 . 1 190 190 THR HG23 H 1 0.8388 0.0000 . 1 . . . . . 190 THR HG2 . 53910 1 1297 . 1 . 1 190 190 THR C C 13 173.2660 0.0579 . 1 . . . . . 190 THR C . 53910 1 1298 . 1 . 1 190 190 THR CA C 13 58.6182 0.1274 . 1 . . . . . 190 THR CA . 53910 1 1299 . 1 . 1 190 190 THR CB C 13 73.3160 0.1306 . 1 . . . . . 190 THR CB . 53910 1 1300 . 1 . 1 190 190 THR CG2 C 13 20.1362 0.1968 . 1 . . . . . 190 THR CG2 . 53910 1 1301 . 1 . 1 190 190 THR N N 15 116.9999 0.1594 . 1 . . . . . 190 THR N . 53910 1 1302 . 1 . 1 191 191 ILE H H 1 9.1680 0.0123 . 1 . . . . . 191 ILE H . 53910 1 1303 . 1 . 1 191 191 ILE HD11 H 1 0.3456 0.0033 . 1 . . . . . 191 ILE HD1 . 53910 1 1304 . 1 . 1 191 191 ILE HD12 H 1 0.3456 0.0033 . 1 . . . . . 191 ILE HD1 . 53910 1 1305 . 1 . 1 191 191 ILE HD13 H 1 0.3456 0.0033 . 1 . . . . . 191 ILE HD1 . 53910 1 1306 . 1 . 1 191 191 ILE CA C 13 59.5745 0.0258 . 1 . . . . . 191 ILE CA . 53910 1 1307 . 1 . 1 191 191 ILE CG1 C 13 26.9215 0.0595 . 1 . . . . . 191 ILE CG1 . 53910 1 1308 . 1 . 1 191 191 ILE CD1 C 13 12.8578 0.0106 . 1 . . . . . 191 ILE CD1 . 53910 1 1309 . 1 . 1 191 191 ILE N N 15 121.0373 0.0443 . 1 . . . . . 191 ILE N . 53910 1 1310 . 1 . 1 193 193 GLY C C 13 172.6634 0.0606 . 1 . . . . . 193 GLY C . 53910 1 1311 . 1 . 1 193 193 GLY CA C 13 45.2247 0.2708 . 1 . . . . . 193 GLY CA . 53910 1 1312 . 1 . 1 194 194 ILE H H 1 7.9425 0.0042 . 1 . . . . . 194 ILE H . 53910 1 1313 . 1 . 1 194 194 ILE HD11 H 1 0.9732 0.0033 . 1 . . . . . 194 ILE HD1 . 53910 1 1314 . 1 . 1 194 194 ILE HD12 H 1 0.9732 0.0033 . 1 . . . . . 194 ILE HD1 . 53910 1 1315 . 1 . 1 194 194 ILE HD13 H 1 0.9732 0.0033 . 1 . . . . . 194 ILE HD1 . 53910 1 1316 . 1 . 1 194 194 ILE C C 13 176.8619 0.1199 . 1 . . . . . 194 ILE C . 53910 1 1317 . 1 . 1 194 194 ILE CA C 13 59.2430 0.1669 . 1 . . . . . 194 ILE CA . 53910 1 1318 . 1 . 1 194 194 ILE CB C 13 38.1543 0.4642 . 1 . . . . . 194 ILE CB . 53910 1 1319 . 1 . 1 194 194 ILE CG1 C 13 27.0328 0.2780 . 1 . . . . . 194 ILE CG1 . 53910 1 1320 . 1 . 1 194 194 ILE CG2 C 13 17.3240 0.0000 . 1 . . . . . 194 ILE CG2 . 53910 1 1321 . 1 . 1 194 194 ILE CD1 C 13 12.7720 1.7161 . 1 . . . . . 194 ILE CD1 . 53910 1 1322 . 1 . 1 194 194 ILE N N 15 123.5948 0.1634 . 1 . . . . . 194 ILE N . 53910 1 1323 . 1 . 1 195 195 HIS H H 1 9.3620 0.0064 . 1 . . . . . 195 HIS H . 53910 1 1324 . 1 . 1 195 195 HIS C C 13 178.5038 0.0973 . 1 . . . . . 195 HIS C . 53910 1 1325 . 1 . 1 195 195 HIS CA C 13 60.4189 0.1100 . 1 . . . . . 195 HIS CA . 53910 1 1326 . 1 . 1 195 195 HIS CB C 13 31.1457 0.2046 . 1 . . . . . 195 HIS CB . 53910 1 1327 . 1 . 1 195 195 HIS N N 15 129.0389 0.1244 . 1 . . . . . 195 HIS N . 53910 1 1328 . 1 . 1 196 196 ILE H H 1 7.8023 0.0063 . 1 . . . . . 196 ILE H . 53910 1 1329 . 1 . 1 196 196 ILE HD11 H 1 0.9364 0.0043 . 1 . . . . . 196 ILE HD1 . 53910 1 1330 . 1 . 1 196 196 ILE HD12 H 1 0.9364 0.0043 . 1 . . . . . 196 ILE HD1 . 53910 1 1331 . 1 . 1 196 196 ILE HD13 H 1 0.9364 0.0043 . 1 . . . . . 196 ILE HD1 . 53910 1 1332 . 1 . 1 196 196 ILE C C 13 174.8278 0.0929 . 1 . . . . . 196 ILE C . 53910 1 1333 . 1 . 1 196 196 ILE CA C 13 64.8317 0.1873 . 1 . . . . . 196 ILE CA . 53910 1 1334 . 1 . 1 196 196 ILE CB C 13 38.6674 0.3842 . 1 . . . . . 196 ILE CB . 53910 1 1335 . 1 . 1 196 196 ILE CG1 C 13 29.2782 0.2725 . 1 . . . . . 196 ILE CG1 . 53910 1 1336 . 1 . 1 196 196 ILE CG2 C 13 15.3680 0.0000 . 1 . . . . . 196 ILE CG2 . 53910 1 1337 . 1 . 1 196 196 ILE CD1 C 13 14.8848 0.1197 . 1 . . . . . 196 ILE CD1 . 53910 1 1338 . 1 . 1 196 196 ILE N N 15 126.6715 0.1437 . 1 . . . . . 196 ILE N . 53910 1 1339 . 1 . 1 197 197 ASP H H 1 8.0266 0.0173 . 1 . . . . . 197 ASP H . 53910 1 1340 . 1 . 1 197 197 ASP C C 13 179.5745 0.1067 . 1 . . . . . 197 ASP C . 53910 1 1341 . 1 . 1 197 197 ASP CA C 13 58.2594 0.0928 . 1 . . . . . 197 ASP CA . 53910 1 1342 . 1 . 1 197 197 ASP CB C 13 40.1112 0.3361 . 1 . . . . . 197 ASP CB . 53910 1 1343 . 1 . 1 197 197 ASP CG C 13 179.6350 0.0000 . 1 . . . . . 197 ASP CG . 53910 1 1344 . 1 . 1 197 197 ASP N N 15 123.0648 0.1408 . 1 . . . . . 197 ASP N . 53910 1 1345 . 1 . 1 198 198 GLN H H 1 7.2987 0.0180 . 1 . . . . . 198 GLN H . 53910 1 1346 . 1 . 1 198 198 GLN C C 13 177.6042 0.2210 . 1 . . . . . 198 GLN C . 53910 1 1347 . 1 . 1 198 198 GLN CA C 13 58.2636 0.1202 . 1 . . . . . 198 GLN CA . 53910 1 1348 . 1 . 1 198 198 GLN CB C 13 27.8618 0.6087 . 1 . . . . . 198 GLN CB . 53910 1 1349 . 1 . 1 198 198 GLN CG C 13 33.1645 0.1732 . 1 . . . . . 198 GLN CG . 53910 1 1350 . 1 . 1 198 198 GLN N N 15 120.7408 0.1043 . 1 . . . . . 198 GLN N . 53910 1 1351 . 1 . 1 199 199 TYR H H 1 8.4432 0.0118 . 1 . . . . . 199 TYR H . 53910 1 1352 . 1 . 1 199 199 TYR C C 13 178.0068 0.0921 . 1 . . . . . 199 TYR C . 53910 1 1353 . 1 . 1 199 199 TYR CA C 13 62.2649 0.1359 . 1 . . . . . 199 TYR CA . 53910 1 1354 . 1 . 1 199 199 TYR CB C 13 38.8550 0.1471 . 1 . . . . . 199 TYR CB . 53910 1 1355 . 1 . 1 199 199 TYR N N 15 121.8970 0.1106 . 1 . . . . . 199 TYR N . 53910 1 1356 . 1 . 1 200 200 ILE H H 1 8.5496 0.0260 . 1 . . . . . 200 ILE H . 53910 1 1357 . 1 . 1 200 200 ILE HD11 H 1 0.8801 0.0025 . 1 . . . . . 200 ILE HD1 . 53910 1 1358 . 1 . 1 200 200 ILE HD12 H 1 0.8801 0.0025 . 1 . . . . . 200 ILE HD1 . 53910 1 1359 . 1 . 1 200 200 ILE HD13 H 1 0.8801 0.0025 . 1 . . . . . 200 ILE HD1 . 53910 1 1360 . 1 . 1 200 200 ILE C C 13 178.6670 0.1499 . 1 . . . . . 200 ILE C . 53910 1 1361 . 1 . 1 200 200 ILE CA C 13 65.8578 0.2080 . 1 . . . . . 200 ILE CA . 53910 1 1362 . 1 . 1 200 200 ILE CB C 13 37.9399 0.0328 . 1 . . . . . 200 ILE CB . 53910 1 1363 . 1 . 1 200 200 ILE CG1 C 13 28.4636 0.1458 . 1 . . . . . 200 ILE CG1 . 53910 1 1364 . 1 . 1 200 200 ILE CD1 C 13 14.0551 0.0328 . 1 . . . . . 200 ILE CD1 . 53910 1 1365 . 1 . 1 200 200 ILE N N 15 115.2198 0.1196 . 1 . . . . . 200 ILE N . 53910 1 1366 . 1 . 1 201 201 LYS H H 1 7.3985 0.0270 . 1 . . . . . 201 LYS H . 53910 1 1367 . 1 . 1 201 201 LYS C C 13 180.8624 0.1245 . 1 . . . . . 201 LYS C . 53910 1 1368 . 1 . 1 201 201 LYS CA C 13 59.2112 0.1631 . 1 . . . . . 201 LYS CA . 53910 1 1369 . 1 . 1 201 201 LYS CB C 13 31.9215 0.1209 . 1 . . . . . 201 LYS CB . 53910 1 1370 . 1 . 1 201 201 LYS N N 15 120.8910 0.0981 . 1 . . . . . 201 LYS N . 53910 1 1371 . 1 . 1 202 202 GLU H H 1 8.4487 0.0127 . 1 . . . . . 202 GLU H . 53910 1 1372 . 1 . 1 202 202 GLU C C 13 178.7538 0.1687 . 1 . . . . . 202 GLU C . 53910 1 1373 . 1 . 1 202 202 GLU CA C 13 58.9514 0.0976 . 1 . . . . . 202 GLU CA . 53910 1 1374 . 1 . 1 202 202 GLU CB C 13 29.5655 0.5831 . 1 . . . . . 202 GLU CB . 53910 1 1375 . 1 . 1 202 202 GLU CG C 13 36.9310 0.0000 . 1 . . . . . 202 GLU CG . 53910 1 1376 . 1 . 1 202 202 GLU N N 15 118.9398 0.1085 . 1 . . . . . 202 GLU N . 53910 1 1377 . 1 . 1 203 203 ARG H H 1 7.1387 0.0192 . 1 . . . . . 203 ARG H . 53910 1 1378 . 1 . 1 203 203 ARG C C 13 175.7405 0.3500 . 1 . . . . . 203 ARG C . 53910 1 1379 . 1 . 1 203 203 ARG CA C 13 55.2157 0.0624 . 1 . . . . . 203 ARG CA . 53910 1 1380 . 1 . 1 203 203 ARG CB C 13 30.2125 0.5445 . 1 . . . . . 203 ARG CB . 53910 1 1381 . 1 . 1 203 203 ARG CG C 13 27.2690 0.0000 . 1 . . . . . 203 ARG CG . 53910 1 1382 . 1 . 1 203 203 ARG CD C 13 41.2315 0.0728 . 1 . . . . . 203 ARG CD . 53910 1 1383 . 1 . 1 203 203 ARG N N 15 115.4374 0.1988 . 1 . . . . . 203 ARG N . 53910 1 1384 . 1 . 1 204 204 ASN H H 1 7.7777 0.0188 . 1 . . . . . 204 ASN H . 53910 1 1385 . 1 . 1 204 204 ASN C C 13 174.5798 0.0698 . 1 . . . . . 204 ASN C . 53910 1 1386 . 1 . 1 204 204 ASN CA C 13 54.3057 0.1035 . 1 . . . . . 204 ASN CA . 53910 1 1387 . 1 . 1 204 204 ASN CB C 13 37.2273 0.3717 . 1 . . . . . 204 ASN CB . 53910 1 1388 . 1 . 1 204 204 ASN N N 15 118.5865 0.2121 . 1 . . . . . 204 ASN N . 53910 1 1389 . 1 . 1 205 205 ILE H H 1 7.9210 0.0122 . 1 . . . . . 205 ILE H . 53910 1 1390 . 1 . 1 205 205 ILE HD11 H 1 0.9214 0.0048 . 1 . . . . . 205 ILE HD1 . 53910 1 1391 . 1 . 1 205 205 ILE HD12 H 1 0.9214 0.0048 . 1 . . . . . 205 ILE HD1 . 53910 1 1392 . 1 . 1 205 205 ILE HD13 H 1 0.9214 0.0048 . 1 . . . . . 205 ILE HD1 . 53910 1 1393 . 1 . 1 205 205 ILE C C 13 176.3625 0.0973 . 1 . . . . . 205 ILE C . 53910 1 1394 . 1 . 1 205 205 ILE CA C 13 61.5349 0.1372 . 1 . . . . . 205 ILE CA . 53910 1 1395 . 1 . 1 205 205 ILE CB C 13 39.0982 0.3357 . 1 . . . . . 205 ILE CB . 53910 1 1396 . 1 . 1 205 205 ILE CG1 C 13 27.6435 0.0660 . 1 . . . . . 205 ILE CG1 . 53910 1 1397 . 1 . 1 205 205 ILE CG2 C 13 17.8060 0.0000 . 1 . . . . . 205 ILE CG2 . 53910 1 1398 . 1 . 1 205 205 ILE CD1 C 13 14.5111 0.0275 . 1 . . . . . 205 ILE CD1 . 53910 1 1399 . 1 . 1 205 205 ILE N N 15 118.6851 0.1602 . 1 . . . . . 205 ILE N . 53910 1 1400 . 1 . 1 206 206 ASN H H 1 8.7894 0.0178 . 1 . . . . . 206 ASN H . 53910 1 1401 . 1 . 1 206 206 ASN C C 13 174.0735 0.0988 . 1 . . . . . 206 ASN C . 53910 1 1402 . 1 . 1 206 206 ASN CA C 13 52.4312 0.1009 . 1 . . . . . 206 ASN CA . 53910 1 1403 . 1 . 1 206 206 ASN CB C 13 37.4903 0.3652 . 1 . . . . . 206 ASN CB . 53910 1 1404 . 1 . 1 206 206 ASN CG C 13 174.2230 0.0000 . 1 . . . . . 206 ASN CG . 53910 1 1405 . 1 . 1 206 206 ASN N N 15 127.2262 0.2581 . 1 . . . . . 206 ASN N . 53910 1 1406 . 1 . 1 207 207 ILE H H 1 7.2500 0.0080 . 1 . . . . . 207 ILE H . 53910 1 1407 . 1 . 1 207 207 ILE HD11 H 1 0.7688 0.0048 . 1 . . . . . 207 ILE HD1 . 53910 1 1408 . 1 . 1 207 207 ILE HD12 H 1 0.7688 0.0048 . 1 . . . . . 207 ILE HD1 . 53910 1 1409 . 1 . 1 207 207 ILE HD13 H 1 0.7688 0.0048 . 1 . . . . . 207 ILE HD1 . 53910 1 1410 . 1 . 1 207 207 ILE C C 13 173.5962 0.0705 . 1 . . . . . 207 ILE C . 53910 1 1411 . 1 . 1 207 207 ILE CA C 13 59.4042 0.2810 . 1 . . . . . 207 ILE CA . 53910 1 1412 . 1 . 1 207 207 ILE CB C 13 40.6751 0.3804 . 1 . . . . . 207 ILE CB . 53910 1 1413 . 1 . 1 207 207 ILE CG1 C 13 28.0308 0.0834 . 1 . . . . . 207 ILE CG1 . 53910 1 1414 . 1 . 1 207 207 ILE CD1 C 13 14.0623 0.0357 . 1 . . . . . 207 ILE CD1 . 53910 1 1415 . 1 . 1 207 207 ILE N N 15 122.6192 0.2215 . 1 . . . . . 207 ILE N . 53910 1 1416 . 1 . 1 208 208 SER H H 1 8.0437 0.0284 . 1 . . . . . 208 SER H . 53910 1 1417 . 1 . 1 208 208 SER C C 13 175.5418 0.0960 . 1 . . . . . 208 SER C . 53910 1 1418 . 1 . 1 208 208 SER CA C 13 55.5047 0.1094 . 1 . . . . . 208 SER CA . 53910 1 1419 . 1 . 1 208 208 SER CB C 13 67.4025 0.2574 . 1 . . . . . 208 SER CB . 53910 1 1420 . 1 . 1 208 208 SER N N 15 120.7144 0.1056 . 1 . . . . . 208 SER N . 53910 1 1421 . 1 . 1 209 209 ARG H H 1 8.6376 0.0142 . 1 . . . . . 209 ARG H . 53910 1 1422 . 1 . 1 209 209 ARG C C 13 179.1217 0.0896 . 1 . . . . . 209 ARG C . 53910 1 1423 . 1 . 1 209 209 ARG CA C 13 60.3526 0.1661 . 1 . . . . . 209 ARG CA . 53910 1 1424 . 1 . 1 209 209 ARG CB C 13 30.5110 0.7009 . 1 . . . . . 209 ARG CB . 53910 1 1425 . 1 . 1 209 209 ARG CG C 13 26.3055 0.2468 . 1 . . . . . 209 ARG CG . 53910 1 1426 . 1 . 1 209 209 ARG CD C 13 43.7915 0.1450 . 1 . . . . . 209 ARG CD . 53910 1 1427 . 1 . 1 209 209 ARG N N 15 121.2029 0.1106 . 1 . . . . . 209 ARG N . 53910 1 1428 . 1 . 1 210 210 GLU H H 1 8.6992 0.0511 . 1 . . . . . 210 GLU H . 53910 1 1429 . 1 . 1 210 210 GLU C C 13 179.2640 0.0137 . 1 . . . . . 210 GLU C . 53910 1 1430 . 1 . 1 210 210 GLU CA C 13 60.1176 0.1064 . 1 . . . . . 210 GLU CA . 53910 1 1431 . 1 . 1 210 210 GLU CB C 13 28.5830 0.5047 . 1 . . . . . 210 GLU CB . 53910 1 1432 . 1 . 1 210 210 GLU CG C 13 37.0350 0.0000 . 1 . . . . . 210 GLU CG . 53910 1 1433 . 1 . 1 210 210 GLU CD C 13 179.6350 0.0000 . 1 . . . . . 210 GLU CD . 53910 1 1434 . 1 . 1 210 210 GLU N N 15 117.9228 0.2207 . 1 . . . . . 210 GLU N . 53910 1 1435 . 1 . 1 211 211 GLN H H 1 7.9972 0.0268 . 1 . . . . . 211 GLN H . 53910 1 1436 . 1 . 1 211 211 GLN C C 13 180.2416 0.1509 . 1 . . . . . 211 GLN C . 53910 1 1437 . 1 . 1 211 211 GLN CA C 13 59.3812 0.0648 . 1 . . . . . 211 GLN CA . 53910 1 1438 . 1 . 1 211 211 GLN CB C 13 28.8357 0.5928 . 1 . . . . . 211 GLN CB . 53910 1 1439 . 1 . 1 211 211 GLN CD C 13 180.2080 0.0000 . 1 . . . . . 211 GLN CD . 53910 1 1440 . 1 . 1 211 211 GLN N N 15 121.0747 0.2368 . 1 . . . . . 211 GLN N . 53910 1 1441 . 1 . 1 212 212 ILE H H 1 7.7763 0.0272 . 1 . . . . . 212 ILE H . 53910 1 1442 . 1 . 1 212 212 ILE HD11 H 1 0.9301 0.0039 . 1 . . . . . 212 ILE HD1 . 53910 1 1443 . 1 . 1 212 212 ILE HD12 H 1 0.9301 0.0039 . 1 . . . . . 212 ILE HD1 . 53910 1 1444 . 1 . 1 212 212 ILE HD13 H 1 0.9301 0.0039 . 1 . . . . . 212 ILE HD1 . 53910 1 1445 . 1 . 1 212 212 ILE C C 13 177.9251 0.0906 . 1 . . . . . 212 ILE C . 53910 1 1446 . 1 . 1 212 212 ILE CA C 13 66.1718 0.1547 . 1 . . . . . 212 ILE CA . 53910 1 1447 . 1 . 1 212 212 ILE CB C 13 38.0498 0.3459 . 1 . . . . . 212 ILE CB . 53910 1 1448 . 1 . 1 212 212 ILE CG1 C 13 29.1361 0.3716 . 1 . . . . . 212 ILE CG1 . 53910 1 1449 . 1 . 1 212 212 ILE CG2 C 13 18.7595 0.2440 . 1 . . . . . 212 ILE CG2 . 53910 1 1450 . 1 . 1 212 212 ILE CD1 C 13 13.5961 0.0250 . 1 . . . . . 212 ILE CD1 . 53910 1 1451 . 1 . 1 212 212 ILE N N 15 121.4858 0.1324 . 1 . . . . . 212 ILE N . 53910 1 1452 . 1 . 1 213 213 GLU C C 13 180.2920 0.1709 . 1 . . . . . 213 GLU C . 53910 1 1453 . 1 . 1 213 213 GLU CA C 13 60.7871 0.1067 . 1 . . . . . 213 GLU CA . 53910 1 1454 . 1 . 1 213 213 GLU CB C 13 29.9507 0.6648 . 1 . . . . . 213 GLU CB . 53910 1 1455 . 1 . 1 213 213 GLU CG C 13 38.8440 0.3578 . 1 . . . . . 213 GLU CG . 53910 1 1456 . 1 . 1 213 213 GLU CD C 13 183.1150 0.2447 . 1 . . . . . 213 GLU CD . 53910 1 1457 . 1 . 1 213 213 GLU N N 15 118.1990 0.1564 . 1 . . . . . 213 GLU N . 53910 1 1458 . 1 . 1 214 214 LYS H H 1 8.3372 0.0185 . 1 . . . . . 214 LYS H . 53910 1 1459 . 1 . 1 214 214 LYS C C 13 178.0273 0.1367 . 1 . . . . . 214 LYS C . 53910 1 1460 . 1 . 1 214 214 LYS CA C 13 59.4185 0.1184 . 1 . . . . . 214 LYS CA . 53910 1 1461 . 1 . 1 214 214 LYS CB C 13 32.4682 0.6678 . 1 . . . . . 214 LYS CB . 53910 1 1462 . 1 . 1 214 214 LYS CG C 13 25.4070 0.0000 . 1 . . . . . 214 LYS CG . 53910 1 1463 . 1 . 1 214 214 LYS N N 15 120.4915 0.2375 . 1 . . . . . 214 LYS N . 53910 1 1464 . 1 . 1 215 215 TYR H H 1 7.9437 0.0308 . 1 . . . . . 215 TYR H . 53910 1 1465 . 1 . 1 215 215 TYR C C 13 178.0226 0.1237 . 1 . . . . . 215 TYR C . 53910 1 1466 . 1 . 1 215 215 TYR CA C 13 62.0545 0.1176 . 1 . . . . . 215 TYR CA . 53910 1 1467 . 1 . 1 215 215 TYR CB C 13 39.1610 0.7429 . 1 . . . . . 215 TYR CB . 53910 1 1468 . 1 . 1 215 215 TYR N N 15 121.8825 0.1603 . 1 . . . . . 215 TYR N . 53910 1 1469 . 1 . 1 216 216 VAL H H 1 8.1155 0.0403 . 1 . . . . . 216 VAL H . 53910 1 1470 . 1 . 1 216 216 VAL HG11 H 1 1.0018 0.0082 . 2 . . . . . 216 VAL HG1 . 53910 1 1471 . 1 . 1 216 216 VAL HG12 H 1 1.0018 0.0082 . 2 . . . . . 216 VAL HG1 . 53910 1 1472 . 1 . 1 216 216 VAL HG13 H 1 1.0018 0.0082 . 2 . . . . . 216 VAL HG1 . 53910 1 1473 . 1 . 1 216 216 VAL HG21 H 1 1.2304 0.0010 . 2 . . . . . 216 VAL HG2 . 53910 1 1474 . 1 . 1 216 216 VAL HG22 H 1 1.2304 0.0010 . 2 . . . . . 216 VAL HG2 . 53910 1 1475 . 1 . 1 216 216 VAL HG23 H 1 1.2304 0.0010 . 2 . . . . . 216 VAL HG2 . 53910 1 1476 . 1 . 1 216 216 VAL C C 13 179.3290 0.0413 . 1 . . . . . 216 VAL C . 53910 1 1477 . 1 . 1 216 216 VAL CA C 13 66.6421 0.1561 . 1 . . . . . 216 VAL CA . 53910 1 1478 . 1 . 1 216 216 VAL CB C 13 31.8140 0.4346 . 1 . . . . . 216 VAL CB . 53910 1 1479 . 1 . 1 216 216 VAL CG1 C 13 22.1062 0.0497 . 2 . . . . . 216 VAL CG1 . 53910 1 1480 . 1 . 1 216 216 VAL CG2 C 13 24.4147 0.0181 . 2 . . . . . 216 VAL CG2 . 53910 1 1481 . 1 . 1 216 216 VAL N N 15 116.9322 0.1535 . 1 . . . . . 216 VAL N . 53910 1 1482 . 1 . 1 217 217 LYS H H 1 7.2844 0.0150 . 1 . . . . . 217 LYS H . 53910 1 1483 . 1 . 1 217 217 LYS C C 13 180.0987 0.1316 . 1 . . . . . 217 LYS C . 53910 1 1484 . 1 . 1 217 217 LYS CA C 13 59.8675 0.1747 . 1 . . . . . 217 LYS CA . 53910 1 1485 . 1 . 1 217 217 LYS CB C 13 31.7050 0.0000 . 1 . . . . . 217 LYS CB . 53910 1 1486 . 1 . 1 217 217 LYS N N 15 120.1848 0.0490 . 1 . . . . . 217 LYS N . 53910 1 1487 . 1 . 1 218 218 ASP C C 13 180.3560 0.1757 . 1 . . . . . 218 ASP C . 53910 1 1488 . 1 . 1 218 218 ASP CA C 13 57.5373 0.1042 . 1 . . . . . 218 ASP CA . 53910 1 1489 . 1 . 1 218 218 ASP CB C 13 40.2090 0.2192 . 1 . . . . . 218 ASP CB . 53910 1 1490 . 1 . 1 218 218 ASP CG C 13 179.1295 0.2850 . 1 . . . . . 218 ASP CG . 53910 1 1491 . 1 . 1 218 218 ASP N N 15 123.6228 0.0558 . 1 . . . . . 218 ASP N . 53910 1 1492 . 1 . 1 219 219 VAL H H 1 8.6420 0.0141 . 1 . . . . . 219 VAL H . 53910 1 1493 . 1 . 1 219 219 VAL HG21 H 1 0.1378 0.0108 . 1 . . . . . 219 VAL HG2 . 53910 1 1494 . 1 . 1 219 219 VAL HG22 H 1 0.1378 0.0108 . 1 . . . . . 219 VAL HG2 . 53910 1 1495 . 1 . 1 219 219 VAL HG23 H 1 0.1378 0.0108 . 1 . . . . . 219 VAL HG2 . 53910 1 1496 . 1 . 1 219 219 VAL C C 13 179.6601 0.1901 . 1 . . . . . 219 VAL C . 53910 1 1497 . 1 . 1 219 219 VAL CA C 13 66.7121 0.1126 . 1 . . . . . 219 VAL CA . 53910 1 1498 . 1 . 1 219 219 VAL CB C 13 31.5595 0.5587 . 1 . . . . . 219 VAL CB . 53910 1 1499 . 1 . 1 219 219 VAL CG1 C 13 22.2510 0.2447 . 1 . . . . . 219 VAL CG1 . 53910 1 1500 . 1 . 1 219 219 VAL CG2 C 13 22.3552 1.0203 . 1 . . . . . 219 VAL CG2 . 53910 1 1501 . 1 . 1 219 219 VAL N N 15 123.4829 0.1527 . 1 . . . . . 219 VAL N . 53910 1 1502 . 1 . 1 220 220 ALA H H 1 7.8612 0.0127 . 1 . . . . . 220 ALA H . 53910 1 1503 . 1 . 1 220 220 ALA C C 13 180.3382 0.1310 . 1 . . . . . 220 ALA C . 53910 1 1504 . 1 . 1 220 220 ALA CA C 13 55.8746 0.1065 . 1 . . . . . 220 ALA CA . 53910 1 1505 . 1 . 1 220 220 ALA CB C 13 17.7220 0.4157 . 1 . . . . . 220 ALA CB . 53910 1 1506 . 1 . 1 220 220 ALA N N 15 123.3321 0.0722 . 1 . . . . . 220 ALA N . 53910 1 1507 . 1 . 1 221 221 ALA H H 1 7.9198 0.0237 . 1 . . . . . 221 ALA H . 53910 1 1508 . 1 . 1 221 221 ALA C C 13 181.2455 0.1566 . 1 . . . . . 221 ALA C . 53910 1 1509 . 1 . 1 221 221 ALA CA C 13 55.0890 0.0766 . 1 . . . . . 221 ALA CA . 53910 1 1510 . 1 . 1 221 221 ALA CB C 13 17.7485 0.4405 . 1 . . . . . 221 ALA CB . 53910 1 1511 . 1 . 1 221 221 ALA N N 15 119.2960 0.1044 . 1 . . . . . 221 ALA N . 53910 1 1512 . 1 . 1 222 222 SER H H 1 8.0972 0.0476 . 1 . . . . . 222 SER H . 53910 1 1513 . 1 . 1 222 222 SER C C 13 177.8064 0.0855 . 1 . . . . . 222 SER C . 53910 1 1514 . 1 . 1 222 222 SER CA C 13 61.4734 0.2568 . 1 . . . . . 222 SER CA . 53910 1 1515 . 1 . 1 222 222 SER CB C 13 62.7303 0.3866 . 1 . . . . . 222 SER CB . 53910 1 1516 . 1 . 1 222 222 SER N N 15 117.1748 0.0516 . 1 . . . . . 222 SER N . 53910 1 1517 . 1 . 1 223 223 ILE H H 1 7.8962 0.0286 . 1 . . . . . 223 ILE H . 53910 1 1518 . 1 . 1 223 223 ILE HD11 H 1 0.8353 0.0043 . 1 . . . . . 223 ILE HD1 . 53910 1 1519 . 1 . 1 223 223 ILE HD12 H 1 0.8353 0.0043 . 1 . . . . . 223 ILE HD1 . 53910 1 1520 . 1 . 1 223 223 ILE HD13 H 1 0.8353 0.0043 . 1 . . . . . 223 ILE HD1 . 53910 1 1521 . 1 . 1 223 223 ILE C C 13 178.5266 0.1198 . 1 . . . . . 223 ILE C . 53910 1 1522 . 1 . 1 223 223 ILE CA C 13 66.1143 0.1671 . 1 . . . . . 223 ILE CA . 53910 1 1523 . 1 . 1 223 223 ILE CB C 13 38.7210 0.5301 . 1 . . . . . 223 ILE CB . 53910 1 1524 . 1 . 1 223 223 ILE CG1 C 13 27.9401 0.2360 . 1 . . . . . 223 ILE CG1 . 53910 1 1525 . 1 . 1 223 223 ILE CG2 C 13 18.8830 0.2192 . 1 . . . . . 223 ILE CG2 . 53910 1 1526 . 1 . 1 223 223 ILE CD1 C 13 15.5071 0.0982 . 1 . . . . . 223 ILE CD1 . 53910 1 1527 . 1 . 1 223 223 ILE N N 15 125.8413 0.1831 . 1 . . . . . 223 ILE N . 53910 1 1528 . 1 . 1 224 224 ILE H H 1 7.5560 0.0179 . 1 . . . . . 224 ILE H . 53910 1 1529 . 1 . 1 224 224 ILE HD11 H 1 0.7882 0.0072 . 1 . . . . . 224 ILE HD1 . 53910 1 1530 . 1 . 1 224 224 ILE HD12 H 1 0.7882 0.0072 . 1 . . . . . 224 ILE HD1 . 53910 1 1531 . 1 . 1 224 224 ILE HD13 H 1 0.7882 0.0072 . 1 . . . . . 224 ILE HD1 . 53910 1 1532 . 1 . 1 224 224 ILE C C 13 179.4326 0.0886 . 1 . . . . . 224 ILE C . 53910 1 1533 . 1 . 1 224 224 ILE CA C 13 64.5291 0.1970 . 1 . . . . . 224 ILE CA . 53910 1 1534 . 1 . 1 224 224 ILE CB C 13 37.0689 0.5929 . 1 . . . . . 224 ILE CB . 53910 1 1535 . 1 . 1 224 224 ILE CG1 C 13 29.1360 0.1439 . 1 . . . . . 224 ILE CG1 . 53910 1 1536 . 1 . 1 224 224 ILE CG2 C 13 17.8570 0.0000 . 1 . . . . . 224 ILE CG2 . 53910 1 1537 . 1 . 1 224 224 ILE CD1 C 13 12.9890 2.0144 . 1 . . . . . 224 ILE CD1 . 53910 1 1538 . 1 . 1 224 224 ILE N N 15 120.0806 0.0755 . 1 . . . . . 224 ILE N . 53910 1 1539 . 1 . 1 225 225 ALA H H 1 8.3038 0.0081 . 1 . . . . . 225 ALA H . 53910 1 1540 . 1 . 1 225 225 ALA C C 13 178.8329 0.1083 . 1 . . . . . 225 ALA C . 53910 1 1541 . 1 . 1 225 225 ALA CA C 13 54.9106 0.1215 . 1 . . . . . 225 ALA CA . 53910 1 1542 . 1 . 1 225 225 ALA CB C 13 18.3412 0.7411 . 1 . . . . . 225 ALA CB . 53910 1 1543 . 1 . 1 225 225 ALA N N 15 121.5858 0.1126 . 1 . . . . . 225 ALA N . 53910 1 1544 . 1 . 1 226 226 SER H H 1 7.3472 0.0234 . 1 . . . . . 226 SER H . 53910 1 1545 . 1 . 1 226 226 SER C C 13 175.7657 0.1084 . 1 . . . . . 226 SER C . 53910 1 1546 . 1 . 1 226 226 SER CA C 13 59.0436 0.1597 . 1 . . . . . 226 SER CA . 53910 1 1547 . 1 . 1 226 226 SER CB C 13 64.6453 0.3468 . 1 . . . . . 226 SER CB . 53910 1 1548 . 1 . 1 226 226 SER N N 15 109.7555 0.1667 . 1 . . . . . 226 SER N . 53910 1 1549 . 1 . 1 227 227 GLN H H 1 8.5275 0.0159 . 1 . . . . . 227 GLN H . 53910 1 1550 . 1 . 1 227 227 GLN C C 13 177.2692 0.0918 . 1 . . . . . 227 GLN C . 53910 1 1551 . 1 . 1 227 227 GLN CA C 13 56.5364 0.1715 . 1 . . . . . 227 GLN CA . 53910 1 1552 . 1 . 1 227 227 GLN CB C 13 32.8275 0.5413 . 1 . . . . . 227 GLN CB . 53910 1 1553 . 1 . 1 227 227 GLN CD C 13 177.2940 0.0000 . 1 . . . . . 227 GLN CD . 53910 1 1554 . 1 . 1 227 227 GLN N N 15 120.0951 0.2418 . 1 . . . . . 227 GLN N . 53910 1 1555 . 1 . 1 228 228 GLY H H 1 8.0518 0.0418 . 1 . . . . . 228 GLY H . 53910 1 1556 . 1 . 1 228 228 GLY C C 13 173.2703 0.1033 . 1 . . . . . 228 GLY C . 53910 1 1557 . 1 . 1 228 228 GLY CA C 13 45.8912 0.1336 . 1 . . . . . 228 GLY CA . 53910 1 1558 . 1 . 1 228 228 GLY N N 15 109.7485 0.1811 . 1 . . . . . 228 GLY N . 53910 1 1559 . 1 . 1 229 229 ALA H H 1 7.2158 0.0095 . 1 . . . . . 229 ALA H . 53910 1 1560 . 1 . 1 229 229 ALA C C 13 175.5662 0.0583 . 1 . . . . . 229 ALA C . 53910 1 1561 . 1 . 1 229 229 ALA CA C 13 51.2679 0.1097 . 1 . . . . . 229 ALA CA . 53910 1 1562 . 1 . 1 229 229 ALA CB C 13 21.1872 0.4946 . 1 . . . . . 229 ALA CB . 53910 1 1563 . 1 . 1 229 229 ALA N N 15 118.6241 0.1141 . 1 . . . . . 229 ALA N . 53910 1 1564 . 1 . 1 230 230 THR H H 1 7.9777 0.0052 . 1 . . . . . 230 THR H . 53910 1 1565 . 1 . 1 230 230 THR HG21 H 1 1.1888 0.0000 . 1 . . . . . 230 THR HG2 . 53910 1 1566 . 1 . 1 230 230 THR HG22 H 1 1.1888 0.0000 . 1 . . . . . 230 THR HG2 . 53910 1 1567 . 1 . 1 230 230 THR HG23 H 1 1.1888 0.0000 . 1 . . . . . 230 THR HG2 . 53910 1 1568 . 1 . 1 230 230 THR C C 13 174.0249 0.1043 . 1 . . . . . 230 THR C . 53910 1 1569 . 1 . 1 230 230 THR CA C 13 60.8508 0.1068 . 1 . . . . . 230 THR CA . 53910 1 1570 . 1 . 1 230 230 THR CB C 13 69.0390 0.1730 . 1 . . . . . 230 THR CB . 53910 1 1571 . 1 . 1 230 230 THR CG2 C 13 22.5807 0.0000 . 1 . . . . . 230 THR CG2 . 53910 1 1572 . 1 . 1 230 230 THR N N 15 112.8623 0.1484 . 1 . . . . . 230 THR N . 53910 1 1573 . 1 . 1 231 231 ILE H H 1 10.2092 0.0181 . 1 . . . . . 231 ILE H . 53910 1 1574 . 1 . 1 231 231 ILE HD11 H 1 0.2897 0.0089 . 1 . . . . . 231 ILE HD1 . 53910 1 1575 . 1 . 1 231 231 ILE HD12 H 1 0.2897 0.0089 . 1 . . . . . 231 ILE HD1 . 53910 1 1576 . 1 . 1 231 231 ILE HD13 H 1 0.2897 0.0089 . 1 . . . . . 231 ILE HD1 . 53910 1 1577 . 1 . 1 231 231 ILE C C 13 174.5256 0.1096 . 1 . . . . . 231 ILE C . 53910 1 1578 . 1 . 1 231 231 ILE CA C 13 62.9396 0.1661 . 1 . . . . . 231 ILE CA . 53910 1 1579 . 1 . 1 231 231 ILE CB C 13 42.0200 0.0000 . 1 . . . . . 231 ILE CB . 53910 1 1580 . 1 . 1 231 231 ILE CG1 C 13 26.3133 0.0771 . 1 . . . . . 231 ILE CG1 . 53910 1 1581 . 1 . 1 231 231 ILE CD1 C 13 13.0781 0.1333 . 1 . . . . . 231 ILE CD1 . 53910 1 1582 . 1 . 1 231 231 ILE N N 15 127.5379 0.1331 . 1 . . . . . 231 ILE N . 53910 1 1583 . 1 . 1 232 232 TRP H H 1 7.6050 0.0463 . 1 . . . . . 232 TRP H . 53910 1 1584 . 1 . 1 232 232 TRP C C 13 177.9087 0.1241 . 1 . . . . . 232 TRP C . 53910 1 1585 . 1 . 1 232 232 TRP CA C 13 58.4707 0.1777 . 1 . . . . . 232 TRP CA . 53910 1 1586 . 1 . 1 232 232 TRP CB C 13 29.1945 0.3429 . 1 . . . . . 232 TRP CB . 53910 1 1587 . 1 . 1 232 232 TRP N N 15 124.3402 0.1787 . 1 . . . . . 232 TRP N . 53910 1 1588 . 1 . 1 233 233 GLY H H 1 9.0240 0.0066 . 1 . . . . . 233 GLY H . 53910 1 1589 . 1 . 1 233 233 GLY N N 15 105.7213 0.1217 . 1 . . . . . 233 GLY N . 53910 1 1590 . 1 . 1 235 235 ALA H H 1 6.9820 0.0000 . 1 . . . . . 235 ALA H . 53910 1 1591 . 1 . 1 235 235 ALA C C 13 178.8462 0.0406 . 1 . . . . . 235 ALA C . 53910 1 1592 . 1 . 1 235 235 ALA CA C 13 56.0410 0.3069 . 1 . . . . . 235 ALA CA . 53910 1 1593 . 1 . 1 235 235 ALA CB C 13 18.7215 0.6781 . 1 . . . . . 235 ALA CB . 53910 1 1594 . 1 . 1 235 235 ALA N N 15 118.2690 0.0000 . 1 . . . . . 235 ALA N . 53910 1 1595 . 1 . 1 236 236 ALA CA C 13 55.2772 0.0631 . 1 . . . . . 236 ALA CA . 53910 1 1596 . 1 . 1 236 236 ALA CB C 13 18.8330 0.0000 . 1 . . . . . 236 ALA CB . 53910 1 1597 . 1 . 1 236 236 ALA N N 15 116.9768 0.0456 . 1 . . . . . 236 ALA N . 53910 1 1598 . 1 . 1 237 237 THR HG21 H 1 1.2763 0.0000 . 1 . . . . . 237 THR HG2 . 53910 1 1599 . 1 . 1 237 237 THR HG22 H 1 1.2763 0.0000 . 1 . . . . . 237 THR HG2 . 53910 1 1600 . 1 . 1 237 237 THR HG23 H 1 1.2763 0.0000 . 1 . . . . . 237 THR HG2 . 53910 1 1601 . 1 . 1 237 237 THR CG2 C 13 22.0408 0.0000 . 1 . . . . . 237 THR CG2 . 53910 1 1602 . 1 . 1 240 240 GLU C C 13 180.8203 0.1256 . 1 . . . . . 240 GLU C . 53910 1 1603 . 1 . 1 240 240 GLU CA C 13 58.8450 0.0000 . 1 . . . . . 240 GLU CA . 53910 1 1604 . 1 . 1 241 241 ILE H H 1 7.8490 0.0000 . 1 . . . . . 241 ILE H . 53910 1 1605 . 1 . 1 241 241 ILE HD11 H 1 0.8974 0.0000 . 1 . . . . . 241 ILE HD1 . 53910 1 1606 . 1 . 1 241 241 ILE HD12 H 1 0.8974 0.0000 . 1 . . . . . 241 ILE HD1 . 53910 1 1607 . 1 . 1 241 241 ILE HD13 H 1 0.8974 0.0000 . 1 . . . . . 241 ILE HD1 . 53910 1 1608 . 1 . 1 241 241 ILE C C 13 178.0035 1.1547 . 1 . . . . . 241 ILE C . 53910 1 1609 . 1 . 1 241 241 ILE CA C 13 65.7987 0.0887 . 1 . . . . . 241 ILE CA . 53910 1 1610 . 1 . 1 241 241 ILE CB C 13 39.8750 0.0000 . 1 . . . . . 241 ILE CB . 53910 1 1611 . 1 . 1 241 241 ILE CD1 C 13 15.1790 0.0000 . 1 . . . . . 241 ILE CD1 . 53910 1 1612 . 1 . 1 241 241 ILE N N 15 117.9861 0.2902 . 1 . . . . . 241 ILE N . 53910 1 1613 . 1 . 1 242 242 VAL H H 1 8.2247 0.0046 . 1 . . . . . 242 VAL H . 53910 1 1614 . 1 . 1 242 242 VAL HG11 H 1 0.8481 0.0089 . 2 . . . . . 242 VAL HG1 . 53910 1 1615 . 1 . 1 242 242 VAL HG12 H 1 0.8481 0.0089 . 2 . . . . . 242 VAL HG1 . 53910 1 1616 . 1 . 1 242 242 VAL HG13 H 1 0.8481 0.0089 . 2 . . . . . 242 VAL HG1 . 53910 1 1617 . 1 . 1 242 242 VAL HG21 H 1 0.9667 0.0017 . 2 . . . . . 242 VAL HG2 . 53910 1 1618 . 1 . 1 242 242 VAL HG22 H 1 0.9667 0.0017 . 2 . . . . . 242 VAL HG2 . 53910 1 1619 . 1 . 1 242 242 VAL HG23 H 1 0.9667 0.0017 . 2 . . . . . 242 VAL HG2 . 53910 1 1620 . 1 . 1 242 242 VAL C C 13 177.8000 0.6442 . 1 . . . . . 242 VAL C . 53910 1 1621 . 1 . 1 242 242 VAL CA C 13 67.5322 0.2575 . 1 . . . . . 242 VAL CA . 53910 1 1622 . 1 . 1 242 242 VAL CB C 13 31.4433 0.8066 . 1 . . . . . 242 VAL CB . 53910 1 1623 . 1 . 1 242 242 VAL CG1 C 13 22.8644 0.0502 . 2 . . . . . 242 VAL CG1 . 53910 1 1624 . 1 . 1 242 242 VAL CG2 C 13 23.7295 0.0018 . 2 . . . . . 242 VAL CG2 . 53910 1 1625 . 1 . 1 242 242 VAL N N 15 116.4460 0.0367 . 1 . . . . . 242 VAL N . 53910 1 1626 . 1 . 1 243 243 VAL H H 1 8.7010 0.0075 . 1 . . . . . 243 VAL H . 53910 1 1627 . 1 . 1 243 243 VAL HG11 H 1 0.8383 0.0099 . 2 . . . . . 243 VAL HG1 . 53910 1 1628 . 1 . 1 243 243 VAL HG12 H 1 0.8383 0.0099 . 2 . . . . . 243 VAL HG1 . 53910 1 1629 . 1 . 1 243 243 VAL HG13 H 1 0.8383 0.0099 . 2 . . . . . 243 VAL HG1 . 53910 1 1630 . 1 . 1 243 243 VAL HG21 H 1 0.7377 0.0016 . 2 . . . . . 243 VAL HG2 . 53910 1 1631 . 1 . 1 243 243 VAL HG22 H 1 0.7377 0.0016 . 2 . . . . . 243 VAL HG2 . 53910 1 1632 . 1 . 1 243 243 VAL HG23 H 1 0.7377 0.0016 . 2 . . . . . 243 VAL HG2 . 53910 1 1633 . 1 . 1 243 243 VAL C C 13 177.3891 0.1552 . 1 . . . . . 243 VAL C . 53910 1 1634 . 1 . 1 243 243 VAL CA C 13 65.8920 3.7243 . 1 . . . . . 243 VAL CA . 53910 1 1635 . 1 . 1 243 243 VAL CB C 13 30.7986 0.8326 . 1 . . . . . 243 VAL CB . 53910 1 1636 . 1 . 1 243 243 VAL CG1 C 13 22.8804 0.5613 . 2 . . . . . 243 VAL CG1 . 53910 1 1637 . 1 . 1 243 243 VAL CG2 C 13 22.7247 1.1009 . 2 . . . . . 243 VAL CG2 . 53910 1 1638 . 1 . 1 243 243 VAL N N 15 119.8606 0.0752 . 1 . . . . . 243 VAL N . 53910 1 1639 . 1 . 1 244 244 SER H H 1 7.3653 0.0122 . 1 . . . . . 244 SER H . 53910 1 1640 . 1 . 1 244 244 SER C C 13 178.7307 0.1500 . 1 . . . . . 244 SER C . 53910 1 1641 . 1 . 1 244 244 SER CA C 13 61.6517 0.0993 . 1 . . . . . 244 SER CA . 53910 1 1642 . 1 . 1 244 244 SER CB C 13 63.4933 0.2733 . 1 . . . . . 244 SER CB . 53910 1 1643 . 1 . 1 244 244 SER N N 15 113.5788 0.1375 . 1 . . . . . 244 SER N . 53910 1 1644 . 1 . 1 245 245 HIS H H 1 7.5584 0.0292 . 1 . . . . . 245 HIS H . 53910 1 1645 . 1 . 1 245 245 HIS C C 13 177.4657 0.1038 . 1 . . . . . 245 HIS C . 53910 1 1646 . 1 . 1 245 245 HIS CA C 13 58.9179 0.1386 . 1 . . . . . 245 HIS CA . 53910 1 1647 . 1 . 1 245 245 HIS CB C 13 29.1253 0.6464 . 1 . . . . . 245 HIS CB . 53910 1 1648 . 1 . 1 245 245 HIS N N 15 115.5161 0.2328 . 1 . . . . . 245 HIS N . 53910 1 1649 . 1 . 1 246 246 LEU H H 1 8.4268 0.0224 . 1 . . . . . 246 LEU H . 53910 1 1650 . 1 . 1 246 246 LEU HD11 H 1 0.6844 0.1010 . 2 . . . . . 246 LEU HD1 . 53910 1 1651 . 1 . 1 246 246 LEU HD12 H 1 0.6844 0.1010 . 2 . . . . . 246 LEU HD1 . 53910 1 1652 . 1 . 1 246 246 LEU HD13 H 1 0.6844 0.1010 . 2 . . . . . 246 LEU HD1 . 53910 1 1653 . 1 . 1 246 246 LEU HD21 H 1 1.0332 0.0000 . 2 . . . . . 246 LEU HD2 . 53910 1 1654 . 1 . 1 246 246 LEU HD22 H 1 1.0332 0.0000 . 2 . . . . . 246 LEU HD2 . 53910 1 1655 . 1 . 1 246 246 LEU HD23 H 1 1.0332 0.0000 . 2 . . . . . 246 LEU HD2 . 53910 1 1656 . 1 . 1 246 246 LEU C C 13 177.2473 0.0834 . 1 . . . . . 246 LEU C . 53910 1 1657 . 1 . 1 246 246 LEU CA C 13 56.5218 0.1287 . 1 . . . . . 246 LEU CA . 53910 1 1658 . 1 . 1 246 246 LEU CB C 13 42.6998 0.7709 . 1 . . . . . 246 LEU CB . 53910 1 1659 . 1 . 1 246 246 LEU CG C 13 27.0870 0.0000 . 1 . . . . . 246 LEU CG . 53910 1 1660 . 1 . 1 246 246 LEU CD1 C 13 26.5248 0.6194 . 2 . . . . . 246 LEU CD1 . 53910 1 1661 . 1 . 1 246 246 LEU CD2 C 13 24.4994 0.3230 . 2 . . . . . 246 LEU CD2 . 53910 1 1662 . 1 . 1 246 246 LEU N N 15 117.4427 0.1928 . 1 . . . . . 246 LEU N . 53910 1 1663 . 1 . 1 247 247 ALA H H 1 8.7327 0.0303 . 1 . . . . . 247 ALA H . 53910 1 1664 . 1 . 1 247 247 ALA C C 13 174.9682 0.1227 . 1 . . . . . 247 ALA C . 53910 1 1665 . 1 . 1 247 247 ALA CA C 13 50.3385 0.1385 . 1 . . . . . 247 ALA CA . 53910 1 1666 . 1 . 1 247 247 ALA CB C 13 17.6925 0.2326 . 1 . . . . . 247 ALA CB . 53910 1 1667 . 1 . 1 247 247 ALA N N 15 117.2555 0.1912 . 1 . . . . . 247 ALA N . 53910 1 1668 . 1 . 1 248 248 ASN H H 1 7.3887 0.0068 . 1 . . . . . 248 ASN H . 53910 1 1669 . 1 . 1 248 248 ASN C C 13 178.5965 0.1281 . 1 . . . . . 248 ASN C . 53910 1 1670 . 1 . 1 248 248 ASN CA C 13 55.4480 0.1507 . 1 . . . . . 248 ASN CA . 53910 1 1671 . 1 . 1 248 248 ASN CB C 13 37.7580 0.2412 . 1 . . . . . 248 ASN CB . 53910 1 1672 . 1 . 1 248 248 ASN N N 15 115.4541 0.1330 . 1 . . . . . 248 ASN N . 53910 1 1673 . 1 . 1 249 249 GLU H H 1 9.7794 0.0199 . 1 . . . . . 249 GLU H . 53910 1 1674 . 1 . 1 249 249 GLU C C 13 177.0606 0.0644 . 1 . . . . . 249 GLU C . 53910 1 1675 . 1 . 1 249 249 GLU CA C 13 59.9669 0.0952 . 1 . . . . . 249 GLU CA . 53910 1 1676 . 1 . 1 249 249 GLU CB C 13 31.0448 0.6054 . 1 . . . . . 249 GLU CB . 53910 1 1677 . 1 . 1 249 249 GLU CD C 13 177.0780 0.0000 . 1 . . . . . 249 GLU CD . 53910 1 1678 . 1 . 1 249 249 GLU N N 15 119.5965 0.1310 . 1 . . . . . 249 GLU N . 53910 1 1679 . 1 . 1 250 250 SER H H 1 7.5263 0.0168 . 1 . . . . . 250 SER H . 53910 1 1680 . 1 . 1 250 250 SER C C 13 173.3974 0.1053 . 1 . . . . . 250 SER C . 53910 1 1681 . 1 . 1 250 250 SER CA C 13 59.8406 0.1739 . 1 . . . . . 250 SER CA . 53910 1 1682 . 1 . 1 250 250 SER CB C 13 61.1977 0.2930 . 1 . . . . . 250 SER CB . 53910 1 1683 . 1 . 1 250 250 SER N N 15 108.3620 0.2478 . 1 . . . . . 250 SER N . 53910 1 1684 . 1 . 1 251 251 LYS H H 1 6.4548 0.0246 . 1 . . . . . 251 LYS H . 53910 1 1685 . 1 . 1 251 251 LYS C C 13 177.9859 0.1311 . 1 . . . . . 251 LYS C . 53910 1 1686 . 1 . 1 251 251 LYS CA C 13 56.2079 0.1082 . 1 . . . . . 251 LYS CA . 53910 1 1687 . 1 . 1 251 251 LYS CB C 13 34.2750 0.5531 . 1 . . . . . 251 LYS CB . 53910 1 1688 . 1 . 1 251 251 LYS CG C 13 27.9280 0.1683 . 1 . . . . . 251 LYS CG . 53910 1 1689 . 1 . 1 251 251 LYS CE C 13 43.1260 0.0000 . 1 . . . . . 251 LYS CE . 53910 1 1690 . 1 . 1 251 251 LYS N N 15 115.5592 0.2174 . 1 . . . . . 251 LYS N . 53910 1 1691 . 1 . 1 252 252 ILE H H 1 7.3346 0.0118 . 1 . . . . . 252 ILE H . 53910 1 1692 . 1 . 1 252 252 ILE HD11 H 1 0.6243 0.0027 . 1 . . . . . 252 ILE HD1 . 53910 1 1693 . 1 . 1 252 252 ILE HD12 H 1 0.6243 0.0027 . 1 . . . . . 252 ILE HD1 . 53910 1 1694 . 1 . 1 252 252 ILE HD13 H 1 0.6243 0.0027 . 1 . . . . . 252 ILE HD1 . 53910 1 1695 . 1 . 1 252 252 ILE C C 13 176.6428 0.0646 . 1 . . . . . 252 ILE C . 53910 1 1696 . 1 . 1 252 252 ILE CA C 13 59.7180 0.1522 . 1 . . . . . 252 ILE CA . 53910 1 1697 . 1 . 1 252 252 ILE CB C 13 35.8730 0.5555 . 1 . . . . . 252 ILE CB . 53910 1 1698 . 1 . 1 252 252 ILE CG1 C 13 27.3177 0.2611 . 1 . . . . . 252 ILE CG1 . 53910 1 1699 . 1 . 1 252 252 ILE CG2 C 13 19.5855 0.2199 . 1 . . . . . 252 ILE CG2 . 53910 1 1700 . 1 . 1 252 252 ILE CD1 C 13 13.8956 0.0644 . 1 . . . . . 252 ILE CD1 . 53910 1 1701 . 1 . 1 252 252 ILE N N 15 119.6608 0.2487 . 1 . . . . . 252 ILE N . 53910 1 1702 . 1 . 1 253 253 ILE H H 1 8.7576 0.0057 . 1 . . . . . 253 ILE H . 53910 1 1703 . 1 . 1 253 253 ILE HD11 H 1 0.9226 0.0051 . 1 . . . . . 253 ILE HD1 . 53910 1 1704 . 1 . 1 253 253 ILE HD12 H 1 0.9226 0.0051 . 1 . . . . . 253 ILE HD1 . 53910 1 1705 . 1 . 1 253 253 ILE HD13 H 1 0.9226 0.0051 . 1 . . . . . 253 ILE HD1 . 53910 1 1706 . 1 . 1 253 253 ILE C C 13 174.5705 0.1718 . 1 . . . . . 253 ILE C . 53910 1 1707 . 1 . 1 253 253 ILE CA C 13 58.7362 0.1467 . 1 . . . . . 253 ILE CA . 53910 1 1708 . 1 . 1 253 253 ILE CB C 13 44.1132 0.3239 . 1 . . . . . 253 ILE CB . 53910 1 1709 . 1 . 1 253 253 ILE CG2 C 13 16.5480 0.0000 . 1 . . . . . 253 ILE CG2 . 53910 1 1710 . 1 . 1 253 253 ILE CD1 C 13 14.3508 0.0585 . 1 . . . . . 253 ILE CD1 . 53910 1 1711 . 1 . 1 253 253 ILE N N 15 128.5979 0.2533 . 1 . . . . . 253 ILE N . 53910 1 1712 . 1 . 1 254 254 PRO C C 13 173.4971 0.0965 . 1 . . . . . 254 PRO C . 53910 1 1713 . 1 . 1 254 254 PRO CA C 13 62.6200 0.0000 . 1 . . . . . 254 PRO CA . 53910 1 1714 . 1 . 1 254 254 PRO CB C 13 30.1830 0.0000 . 1 . . . . . 254 PRO CB . 53910 1 1715 . 1 . 1 254 254 PRO CD C 13 51.0250 0.0000 . 1 . . . . . 254 PRO CD . 53910 1 1716 . 1 . 1 255 255 ILE H H 1 6.7110 0.0119 . 1 . . . . . 255 ILE H . 53910 1 1717 . 1 . 1 255 255 ILE HD11 H 1 0.8318 0.0055 . 1 . . . . . 255 ILE HD1 . 53910 1 1718 . 1 . 1 255 255 ILE HD12 H 1 0.8318 0.0055 . 1 . . . . . 255 ILE HD1 . 53910 1 1719 . 1 . 1 255 255 ILE HD13 H 1 0.8318 0.0055 . 1 . . . . . 255 ILE HD1 . 53910 1 1720 . 1 . 1 255 255 ILE C C 13 175.2330 0.1061 . 1 . . . . . 255 ILE C . 53910 1 1721 . 1 . 1 255 255 ILE CA C 13 58.1706 0.2147 . 1 . . . . . 255 ILE CA . 53910 1 1722 . 1 . 1 255 255 ILE CB C 13 42.4889 0.4214 . 1 . . . . . 255 ILE CB . 53910 1 1723 . 1 . 1 255 255 ILE CG1 C 13 25.6082 0.5547 . 1 . . . . . 255 ILE CG1 . 53910 1 1724 . 1 . 1 255 255 ILE CD1 C 13 16.9336 0.0128 . 1 . . . . . 255 ILE CD1 . 53910 1 1725 . 1 . 1 255 255 ILE N N 15 114.3352 0.2421 . 1 . . . . . 255 ILE N . 53910 1 1726 . 1 . 1 256 256 SER H H 1 7.8786 0.0196 . 1 . . . . . 256 SER H . 53910 1 1727 . 1 . 1 256 256 SER C C 13 174.1560 0.0812 . 1 . . . . . 256 SER C . 53910 1 1728 . 1 . 1 256 256 SER CA C 13 58.5691 0.1201 . 1 . . . . . 256 SER CA . 53910 1 1729 . 1 . 1 256 256 SER CB C 13 62.5955 0.3254 . 1 . . . . . 256 SER CB . 53910 1 1730 . 1 . 1 256 256 SER N N 15 115.8859 0.1736 . 1 . . . . . 256 SER N . 53910 1 1731 . 1 . 1 257 257 LEU H H 1 7.3064 0.0183 . 1 . . . . . 257 LEU H . 53910 1 1732 . 1 . 1 257 257 LEU HD11 H 1 0.9489 0.0010 . 2 . . . . . 257 LEU HD1 . 53910 1 1733 . 1 . 1 257 257 LEU HD12 H 1 0.9489 0.0010 . 2 . . . . . 257 LEU HD1 . 53910 1 1734 . 1 . 1 257 257 LEU HD13 H 1 0.9489 0.0010 . 2 . . . . . 257 LEU HD1 . 53910 1 1735 . 1 . 1 257 257 LEU HD21 H 1 0.7621 0.0007 . 2 . . . . . 257 LEU HD2 . 53910 1 1736 . 1 . 1 257 257 LEU HD22 H 1 0.7621 0.0007 . 2 . . . . . 257 LEU HD2 . 53910 1 1737 . 1 . 1 257 257 LEU HD23 H 1 0.7621 0.0007 . 2 . . . . . 257 LEU HD2 . 53910 1 1738 . 1 . 1 257 257 LEU C C 13 175.4357 0.1181 . 1 . . . . . 257 LEU C . 53910 1 1739 . 1 . 1 257 257 LEU CA C 13 51.1840 0.1141 . 1 . . . . . 257 LEU CA . 53910 1 1740 . 1 . 1 257 257 LEU CB C 13 46.4432 0.3291 . 1 . . . . . 257 LEU CB . 53910 1 1741 . 1 . 1 257 257 LEU CG C 13 26.4637 0.1246 . 1 . . . . . 257 LEU CG . 53910 1 1742 . 1 . 1 257 257 LEU CD1 C 13 25.8795 0.0512 . 2 . . . . . 257 LEU CD1 . 53910 1 1743 . 1 . 1 257 257 LEU CD2 C 13 27.0865 0.0110 . 2 . . . . . 257 LEU CD2 . 53910 1 1744 . 1 . 1 257 257 LEU N N 15 129.2329 0.1310 . 1 . . . . . 257 LEU N . 53910 1 1745 . 1 . 1 258 258 PRO C C 13 175.7813 0.1198 . 1 . . . . . 258 PRO C . 53910 1 1746 . 1 . 1 258 258 PRO CA C 13 62.9507 0.1034 . 1 . . . . . 258 PRO CA . 53910 1 1747 . 1 . 1 258 258 PRO CB C 13 30.9287 0.7346 . 1 . . . . . 258 PRO CB . 53910 1 1748 . 1 . 1 258 258 PRO CG C 13 28.4875 0.2581 . 1 . . . . . 258 PRO CG . 53910 1 1749 . 1 . 1 258 258 PRO CD C 13 52.1980 0.2404 . 1 . . . . . 258 PRO CD . 53910 1 1750 . 1 . 1 258 258 PRO N N 15 140.4776 0.0651 . 1 . . . . . 258 PRO N . 53910 1 1751 . 1 . 1 259 259 GLN H H 1 9.0068 0.0089 . 1 . . . . . 259 GLN H . 53910 1 1752 . 1 . 1 259 259 GLN C C 13 172.5639 0.1189 . 1 . . . . . 259 GLN C . 53910 1 1753 . 1 . 1 259 259 GLN CA C 13 54.5076 0.1267 . 1 . . . . . 259 GLN CA . 53910 1 1754 . 1 . 1 259 259 GLN CB C 13 32.9483 0.3952 . 1 . . . . . 259 GLN CB . 53910 1 1755 . 1 . 1 259 259 GLN CD C 13 179.0510 0.0000 . 1 . . . . . 259 GLN CD . 53910 1 1756 . 1 . 1 259 259 GLN N N 15 124.8342 0.1404 . 1 . . . . . 259 GLN N . 53910 1 1757 . 1 . 1 260 260 ASN H H 1 8.5652 0.0069 . 1 . . . . . 260 ASN H . 53910 1 1758 . 1 . 1 260 260 ASN C C 13 175.5610 0.0830 . 1 . . . . . 260 ASN C . 53910 1 1759 . 1 . 1 260 260 ASN CA C 13 53.3179 0.1149 . 1 . . . . . 260 ASN CA . 53910 1 1760 . 1 . 1 260 260 ASN CB C 13 39.3930 0.4072 . 1 . . . . . 260 ASN CB . 53910 1 1761 . 1 . 1 260 260 ASN CG C 13 177.2120 0.2376 . 1 . . . . . 260 ASN CG . 53910 1 1762 . 1 . 1 260 260 ASN N N 15 118.9603 0.2340 . 1 . . . . . 260 ASN N . 53910 1 1763 . 1 . 1 261 261 ILE H H 1 8.3692 0.0044 . 1 . . . . . 261 ILE H . 53910 1 1764 . 1 . 1 261 261 ILE HD11 H 1 0.5638 0.0025 . 1 . . . . . 261 ILE HD1 . 53910 1 1765 . 1 . 1 261 261 ILE HD12 H 1 0.5638 0.0025 . 1 . . . . . 261 ILE HD1 . 53910 1 1766 . 1 . 1 261 261 ILE HD13 H 1 0.5638 0.0025 . 1 . . . . . 261 ILE HD1 . 53910 1 1767 . 1 . 1 261 261 ILE C C 13 176.5499 0.0785 . 1 . . . . . 261 ILE C . 53910 1 1768 . 1 . 1 261 261 ILE CA C 13 57.3904 0.2631 . 1 . . . . . 261 ILE CA . 53910 1 1769 . 1 . 1 261 261 ILE CB C 13 37.5138 0.4530 . 1 . . . . . 261 ILE CB . 53910 1 1770 . 1 . 1 261 261 ILE CG1 C 13 26.7970 0.2839 . 1 . . . . . 261 ILE CG1 . 53910 1 1771 . 1 . 1 261 261 ILE CG2 C 13 17.0690 0.2942 . 1 . . . . . 261 ILE CG2 . 53910 1 1772 . 1 . 1 261 261 ILE CD1 C 13 9.5304 0.0309 . 1 . . . . . 261 ILE CD1 . 53910 1 1773 . 1 . 1 261 261 ILE N N 15 127.8888 0.1520 . 1 . . . . . 261 ILE N . 53910 1 1774 . 1 . 1 262 262 GLU H H 1 9.0743 0.0086 . 1 . . . . . 262 GLU H . 53910 1 1775 . 1 . 1 262 262 GLU C C 13 176.9257 0.0853 . 1 . . . . . 262 GLU C . 53910 1 1776 . 1 . 1 262 262 GLU CA C 13 58.7409 0.0951 . 1 . . . . . 262 GLU CA . 53910 1 1777 . 1 . 1 262 262 GLU CB C 13 29.2410 0.5854 . 1 . . . . . 262 GLU CB . 53910 1 1778 . 1 . 1 262 262 GLU CG C 13 35.9390 0.0000 . 1 . . . . . 262 GLU CG . 53910 1 1779 . 1 . 1 262 262 GLU N N 15 133.0905 0.0879 . 1 . . . . . 262 GLU N . 53910 1 1780 . 1 . 1 263 263 GLY H H 1 8.7264 0.0220 . 1 . . . . . 263 GLY H . 53910 1 1781 . 1 . 1 263 263 GLY C C 13 174.3184 0.0928 . 1 . . . . . 263 GLY C . 53910 1 1782 . 1 . 1 263 263 GLY CA C 13 45.2991 0.1142 . 1 . . . . . 263 GLY CA . 53910 1 1783 . 1 . 1 263 263 GLY N N 15 113.8135 0.1491 . 1 . . . . . 263 GLY N . 53910 1 1784 . 1 . 1 264 264 VAL H H 1 8.0830 0.0292 . 1 . . . . . 264 VAL H . 53910 1 1785 . 1 . 1 264 264 VAL HG11 H 1 0.6729 0.0075 . 2 . . . . . 264 VAL HG1 . 53910 1 1786 . 1 . 1 264 264 VAL HG12 H 1 0.6729 0.0075 . 2 . . . . . 264 VAL HG1 . 53910 1 1787 . 1 . 1 264 264 VAL HG13 H 1 0.6729 0.0075 . 2 . . . . . 264 VAL HG1 . 53910 1 1788 . 1 . 1 264 264 VAL HG21 H 1 0.8315 0.0008 . 2 . . . . . 264 VAL HG2 . 53910 1 1789 . 1 . 1 264 264 VAL HG22 H 1 0.8315 0.0008 . 2 . . . . . 264 VAL HG2 . 53910 1 1790 . 1 . 1 264 264 VAL HG23 H 1 0.8315 0.0008 . 2 . . . . . 264 VAL HG2 . 53910 1 1791 . 1 . 1 264 264 VAL C C 13 175.5065 0.0738 . 1 . . . . . 264 VAL C . 53910 1 1792 . 1 . 1 264 264 VAL CA C 13 63.8316 0.1877 . 1 . . . . . 264 VAL CA . 53910 1 1793 . 1 . 1 264 264 VAL CB C 13 34.4350 0.5307 . 1 . . . . . 264 VAL CB . 53910 1 1794 . 1 . 1 264 264 VAL CG1 C 13 21.5377 0.0885 . 2 . . . . . 264 VAL CG1 . 53910 1 1795 . 1 . 1 264 264 VAL CG2 C 13 22.1101 0.1297 . 2 . . . . . 264 VAL CG2 . 53910 1 1796 . 1 . 1 264 264 VAL N N 15 120.6852 0.2309 . 1 . . . . . 264 VAL N . 53910 1 1797 . 1 . 1 265 265 GLY H H 1 8.5306 0.0077 . 1 . . . . . 265 GLY H . 53910 1 1798 . 1 . 1 265 265 GLY C C 13 172.7849 0.1107 . 1 . . . . . 265 GLY C . 53910 1 1799 . 1 . 1 265 265 GLY CA C 13 43.4093 0.1198 . 1 . . . . . 265 GLY CA . 53910 1 1800 . 1 . 1 265 265 GLY N N 15 108.2807 0.1343 . 1 . . . . . 265 GLY N . 53910 1 1801 . 1 . 1 266 266 ARG H H 1 8.2776 0.0130 . 1 . . . . . 266 ARG H . 53910 1 1802 . 1 . 1 266 266 ARG C C 13 176.2107 0.0670 . 1 . . . . . 266 ARG C . 53910 1 1803 . 1 . 1 266 266 ARG CA C 13 56.1926 0.0887 . 1 . . . . . 266 ARG CA . 53910 1 1804 . 1 . 1 266 266 ARG CB C 13 29.3783 0.6116 . 1 . . . . . 266 ARG CB . 53910 1 1805 . 1 . 1 266 266 ARG CG C 13 28.4060 0.2418 . 1 . . . . . 266 ARG CG . 53910 1 1806 . 1 . 1 266 266 ARG CD C 13 43.6100 0.2305 . 1 . . . . . 266 ARG CD . 53910 1 1807 . 1 . 1 266 266 ARG N N 15 123.9602 0.1434 . 1 . . . . . 266 ARG N . 53910 1 1808 . 1 . 1 267 267 VAL H H 1 9.1520 0.0143 . 1 . . . . . 267 VAL H . 53910 1 1809 . 1 . 1 267 267 VAL HG11 H 1 0.8428 0.0052 . 2 . . . . . 267 VAL HG1 . 53910 1 1810 . 1 . 1 267 267 VAL HG12 H 1 0.8428 0.0052 . 2 . . . . . 267 VAL HG1 . 53910 1 1811 . 1 . 1 267 267 VAL HG13 H 1 0.8428 0.0052 . 2 . . . . . 267 VAL HG1 . 53910 1 1812 . 1 . 1 267 267 VAL HG21 H 1 0.9466 0.0001 . 2 . . . . . 267 VAL HG2 . 53910 1 1813 . 1 . 1 267 267 VAL HG22 H 1 0.9466 0.0001 . 2 . . . . . 267 VAL HG2 . 53910 1 1814 . 1 . 1 267 267 VAL HG23 H 1 0.9466 0.0001 . 2 . . . . . 267 VAL HG2 . 53910 1 1815 . 1 . 1 267 267 VAL C C 13 173.5654 0.1241 . 1 . . . . . 267 VAL C . 53910 1 1816 . 1 . 1 267 267 VAL CA C 13 60.2714 0.1800 . 1 . . . . . 267 VAL CA . 53910 1 1817 . 1 . 1 267 267 VAL CB C 13 34.6778 0.4858 . 1 . . . . . 267 VAL CB . 53910 1 1818 . 1 . 1 267 267 VAL CG1 C 13 21.0120 0.0635 . 2 . . . . . 267 VAL CG1 . 53910 1 1819 . 1 . 1 267 267 VAL CG2 C 13 21.8351 0.0728 . 2 . . . . . 267 VAL CG2 . 53910 1 1820 . 1 . 1 267 267 VAL N N 15 125.7601 0.1580 . 1 . . . . . 267 VAL N . 53910 1 1821 . 1 . 1 268 268 ALA H H 1 6.9904 0.0067 . 1 . . . . . 268 ALA H . 53910 1 1822 . 1 . 1 268 268 ALA C C 13 172.8455 0.0874 . 1 . . . . . 268 ALA C . 53910 1 1823 . 1 . 1 268 268 ALA CA C 13 50.8763 0.1080 . 1 . . . . . 268 ALA CA . 53910 1 1824 . 1 . 1 268 268 ALA CB C 13 19.5207 0.5533 . 1 . . . . . 268 ALA CB . 53910 1 1825 . 1 . 1 268 268 ALA N N 15 128.8222 0.1233 . 1 . . . . . 268 ALA N . 53910 1 1826 . 1 . 1 269 269 VAL H H 1 6.8918 0.0328 . 1 . . . . . 269 VAL H . 53910 1 1827 . 1 . 1 269 269 VAL HG11 H 1 0.6398 0.0007 . 2 . . . . . 269 VAL HG1 . 53910 1 1828 . 1 . 1 269 269 VAL HG12 H 1 0.6398 0.0007 . 2 . . . . . 269 VAL HG1 . 53910 1 1829 . 1 . 1 269 269 VAL HG13 H 1 0.6398 0.0007 . 2 . . . . . 269 VAL HG1 . 53910 1 1830 . 1 . 1 269 269 VAL HG21 H 1 0.7796 0.0020 . 2 . . . . . 269 VAL HG2 . 53910 1 1831 . 1 . 1 269 269 VAL HG22 H 1 0.7796 0.0020 . 2 . . . . . 269 VAL HG2 . 53910 1 1832 . 1 . 1 269 269 VAL HG23 H 1 0.7796 0.0020 . 2 . . . . . 269 VAL HG2 . 53910 1 1833 . 1 . 1 269 269 VAL C C 13 173.7020 0.0951 . 1 . . . . . 269 VAL C . 53910 1 1834 . 1 . 1 269 269 VAL CA C 13 59.3498 0.1240 . 1 . . . . . 269 VAL CA . 53910 1 1835 . 1 . 1 269 269 VAL CB C 13 33.8212 0.5925 . 1 . . . . . 269 VAL CB . 53910 1 1836 . 1 . 1 269 269 VAL CG1 C 13 18.9995 0.1085 . 2 . . . . . 269 VAL CG1 . 53910 1 1837 . 1 . 1 269 269 VAL CG2 C 13 22.0201 0.1806 . 2 . . . . . 269 VAL CG2 . 53910 1 1838 . 1 . 1 269 269 VAL N N 15 116.6891 0.1164 . 1 . . . . . 269 VAL N . 53910 1 1839 . 1 . 1 270 270 SER H H 1 7.0878 0.0281 . 1 . . . . . 270 SER H . 53910 1 1840 . 1 . 1 270 270 SER C C 13 174.9228 0.1057 . 1 . . . . . 270 SER C . 53910 1 1841 . 1 . 1 270 270 SER CA C 13 59.7295 0.1150 . 1 . . . . . 270 SER CA . 53910 1 1842 . 1 . 1 270 270 SER CB C 13 65.6717 0.3141 . 1 . . . . . 270 SER CB . 53910 1 1843 . 1 . 1 270 270 SER N N 15 119.9778 0.1162 . 1 . . . . . 270 SER N . 53910 1 1844 . 1 . 1 271 271 VAL HG11 H 1 0.8877 0.0054 . 2 . . . . . 271 VAL HG1 . 53910 1 1845 . 1 . 1 271 271 VAL HG12 H 1 0.8877 0.0054 . 2 . . . . . 271 VAL HG1 . 53910 1 1846 . 1 . 1 271 271 VAL HG13 H 1 0.8877 0.0054 . 2 . . . . . 271 VAL HG1 . 53910 1 1847 . 1 . 1 271 271 VAL HG21 H 1 0.8253 0.0035 . 2 . . . . . 271 VAL HG2 . 53910 1 1848 . 1 . 1 271 271 VAL HG22 H 1 0.8253 0.0035 . 2 . . . . . 271 VAL HG2 . 53910 1 1849 . 1 . 1 271 271 VAL HG23 H 1 0.8253 0.0035 . 2 . . . . . 271 VAL HG2 . 53910 1 1850 . 1 . 1 271 271 VAL C C 13 173.7960 0.0000 . 1 . . . . . 271 VAL C . 53910 1 1851 . 1 . 1 271 271 VAL CA C 13 58.0679 0.1336 . 1 . . . . . 271 VAL CA . 53910 1 1852 . 1 . 1 271 271 VAL CB C 13 34.0075 0.0474 . 1 . . . . . 271 VAL CB . 53910 1 1853 . 1 . 1 271 271 VAL CG1 C 13 23.0691 0.2696 . 2 . . . . . 271 VAL CG1 . 53910 1 1854 . 1 . 1 271 271 VAL CG2 C 13 20.1506 0.0633 . 2 . . . . . 271 VAL CG2 . 53910 1 1855 . 1 . 1 271 271 VAL N N 15 118.9314 0.4450 . 1 . . . . . 271 VAL N . 53910 1 1856 . 1 . 1 272 272 PRO C C 13 174.2176 0.1351 . 1 . . . . . 272 PRO C . 53910 1 1857 . 1 . 1 272 272 PRO CA C 13 64.5345 0.2114 . 1 . . . . . 272 PRO CA . 53910 1 1858 . 1 . 1 272 272 PRO CB C 13 30.3140 0.7212 . 1 . . . . . 272 PRO CB . 53910 1 1859 . 1 . 1 272 272 PRO CD C 13 50.5580 0.0000 . 1 . . . . . 272 PRO CD . 53910 1 1860 . 1 . 1 273 273 THR H H 1 6.9627 0.0182 . 1 . . . . . 273 THR H . 53910 1 1861 . 1 . 1 273 273 THR HG21 H 1 0.8469 0.0000 . 1 . . . . . 273 THR HG2 . 53910 1 1862 . 1 . 1 273 273 THR HG22 H 1 0.8469 0.0000 . 1 . . . . . 273 THR HG2 . 53910 1 1863 . 1 . 1 273 273 THR HG23 H 1 0.8469 0.0000 . 1 . . . . . 273 THR HG2 . 53910 1 1864 . 1 . 1 273 273 THR C C 13 172.0927 0.0523 . 1 . . . . . 273 THR C . 53910 1 1865 . 1 . 1 273 273 THR CA C 13 62.0601 0.1843 . 1 . . . . . 273 THR CA . 53910 1 1866 . 1 . 1 273 273 THR CB C 13 72.4210 0.2065 . 1 . . . . . 273 THR CB . 53910 1 1867 . 1 . 1 273 273 THR CG2 C 13 21.0673 0.0000 . 1 . . . . . 273 THR CG2 . 53910 1 1868 . 1 . 1 273 273 THR N N 15 124.8021 0.2298 . 1 . . . . . 273 THR N . 53910 1 1869 . 1 . 1 274 274 ILE H H 1 8.9268 0.0031 . 1 . . . . . 274 ILE H . 53910 1 1870 . 1 . 1 274 274 ILE HD11 H 1 0.8180 0.0031 . 1 . . . . . 274 ILE HD1 . 53910 1 1871 . 1 . 1 274 274 ILE HD12 H 1 0.8180 0.0031 . 1 . . . . . 274 ILE HD1 . 53910 1 1872 . 1 . 1 274 274 ILE HD13 H 1 0.8180 0.0031 . 1 . . . . . 274 ILE HD1 . 53910 1 1873 . 1 . 1 274 274 ILE C C 13 175.6963 0.0982 . 1 . . . . . 274 ILE C . 53910 1 1874 . 1 . 1 274 274 ILE CA C 13 63.1310 0.1791 . 1 . . . . . 274 ILE CA . 53910 1 1875 . 1 . 1 274 274 ILE CB C 13 38.0716 0.5409 . 1 . . . . . 274 ILE CB . 53910 1 1876 . 1 . 1 274 274 ILE CG1 C 13 26.9098 0.1493 . 1 . . . . . 274 ILE CG1 . 53910 1 1877 . 1 . 1 274 274 ILE CD1 C 13 15.3013 1.4622 . 1 . . . . . 274 ILE CD1 . 53910 1 1878 . 1 . 1 274 274 ILE N N 15 125.2177 0.0823 . 1 . . . . . 274 ILE N . 53910 1 1879 . 1 . 1 275 275 ILE H H 1 9.1652 0.0070 . 1 . . . . . 275 ILE H . 53910 1 1880 . 1 . 1 275 275 ILE HD11 H 1 0.7881 0.0037 . 1 . . . . . 275 ILE HD1 . 53910 1 1881 . 1 . 1 275 275 ILE HD12 H 1 0.7881 0.0037 . 1 . . . . . 275 ILE HD1 . 53910 1 1882 . 1 . 1 275 275 ILE HD13 H 1 0.7881 0.0037 . 1 . . . . . 275 ILE HD1 . 53910 1 1883 . 1 . 1 275 275 ILE C C 13 175.7434 0.0752 . 1 . . . . . 275 ILE C . 53910 1 1884 . 1 . 1 275 275 ILE CA C 13 60.0063 0.1438 . 1 . . . . . 275 ILE CA . 53910 1 1885 . 1 . 1 275 275 ILE CB C 13 33.7346 0.4845 . 1 . . . . . 275 ILE CB . 53910 1 1886 . 1 . 1 275 275 ILE CG1 C 13 26.7216 0.3452 . 1 . . . . . 275 ILE CG1 . 53910 1 1887 . 1 . 1 275 275 ILE CG2 C 13 19.1700 0.0000 . 1 . . . . . 275 ILE CG2 . 53910 1 1888 . 1 . 1 275 275 ILE CD1 C 13 13.7066 1.8902 . 1 . . . . . 275 ILE CD1 . 53910 1 1889 . 1 . 1 275 275 ILE N N 15 129.1116 0.1525 . 1 . . . . . 275 ILE N . 53910 1 1890 . 1 . 1 276 276 SER H H 1 6.9247 0.0131 . 1 . . . . . 276 SER H . 53910 1 1891 . 1 . 1 276 276 SER C C 13 176.2355 0.1128 . 1 . . . . . 276 SER C . 53910 1 1892 . 1 . 1 276 276 SER CA C 13 54.8407 0.1486 . 1 . . . . . 276 SER CA . 53910 1 1893 . 1 . 1 276 276 SER CB C 13 64.5390 0.2833 . 1 . . . . . 276 SER CB . 53910 1 1894 . 1 . 1 276 276 SER N N 15 125.5212 0.1237 . 1 . . . . . 276 SER N . 53910 1 1895 . 1 . 1 277 277 GLY H H 1 9.0208 0.0084 . 1 . . . . . 277 GLY H . 53910 1 1896 . 1 . 1 277 277 GLY C C 13 175.0476 0.0744 . 1 . . . . . 277 GLY C . 53910 1 1897 . 1 . 1 277 277 GLY CA C 13 48.4338 0.1338 . 1 . . . . . 277 GLY CA . 53910 1 1898 . 1 . 1 277 277 GLY N N 15 114.6323 0.2113 . 1 . . . . . 277 GLY N . 53910 1 1899 . 1 . 1 278 278 ARG H H 1 8.0804 0.0120 . 1 . . . . . 278 ARG H . 53910 1 1900 . 1 . 1 278 278 ARG C C 13 176.0024 0.0666 . 1 . . . . . 278 ARG C . 53910 1 1901 . 1 . 1 278 278 ARG CA C 13 54.7585 0.0878 . 1 . . . . . 278 ARG CA . 53910 1 1902 . 1 . 1 278 278 ARG CB C 13 31.8005 0.6583 . 1 . . . . . 278 ARG CB . 53910 1 1903 . 1 . 1 278 278 ARG CG C 13 27.4340 0.0283 . 1 . . . . . 278 ARG CG . 53910 1 1904 . 1 . 1 278 278 ARG N N 15 117.4888 0.2384 . 1 . . . . . 278 ARG N . 53910 1 1905 . 1 . 1 279 279 LEU H H 1 8.6642 0.0142 . 1 . . . . . 279 LEU H . 53910 1 1906 . 1 . 1 279 279 LEU HD11 H 1 0.8701 0.0045 . 2 . . . . . 279 LEU HD1 . 53910 1 1907 . 1 . 1 279 279 LEU HD12 H 1 0.8701 0.0045 . 2 . . . . . 279 LEU HD1 . 53910 1 1908 . 1 . 1 279 279 LEU HD13 H 1 0.8701 0.0045 . 2 . . . . . 279 LEU HD1 . 53910 1 1909 . 1 . 1 279 279 LEU HD21 H 1 0.9566 0.0014 . 2 . . . . . 279 LEU HD2 . 53910 1 1910 . 1 . 1 279 279 LEU HD22 H 1 0.9566 0.0014 . 2 . . . . . 279 LEU HD2 . 53910 1 1911 . 1 . 1 279 279 LEU HD23 H 1 0.9566 0.0014 . 2 . . . . . 279 LEU HD2 . 53910 1 1912 . 1 . 1 279 279 LEU C C 13 177.5769 0.0904 . 1 . . . . . 279 LEU C . 53910 1 1913 . 1 . 1 279 279 LEU CA C 13 54.1388 0.1355 . 1 . . . . . 279 LEU CA . 53910 1 1914 . 1 . 1 279 279 LEU CB C 13 42.4314 0.3676 . 1 . . . . . 279 LEU CB . 53910 1 1915 . 1 . 1 279 279 LEU CG C 13 28.5149 0.1340 . 1 . . . . . 279 LEU CG . 53910 1 1916 . 1 . 1 279 279 LEU CD1 C 13 27.3683 0.0747 . 2 . . . . . 279 LEU CD1 . 53910 1 1917 . 1 . 1 279 279 LEU CD2 C 13 27.9713 0.9503 . 2 . . . . . 279 LEU CD2 . 53910 1 1918 . 1 . 1 279 279 LEU N N 15 124.7126 0.1475 . 1 . . . . . 279 LEU N . 53910 1 1919 . 1 . 1 280 280 LYS H H 1 7.6426 0.0214 . 1 . . . . . 280 LYS H . 53910 1 1920 . 1 . 1 280 280 LYS C C 13 173.3770 0.0000 . 1 . . . . . 280 LYS C . 53910 1 1921 . 1 . 1 280 280 LYS CA C 13 52.4502 0.0454 . 1 . . . . . 280 LYS CA . 53910 1 1922 . 1 . 1 280 280 LYS CB C 13 35.4580 0.5346 . 1 . . . . . 280 LYS CB . 53910 1 1923 . 1 . 1 280 280 LYS CG C 13 24.6080 0.0000 . 1 . . . . . 280 LYS CG . 53910 1 1924 . 1 . 1 280 280 LYS N N 15 121.5765 0.1306 . 1 . . . . . 280 LYS N . 53910 1 1925 . 1 . 1 281 281 PRO C C 13 176.9638 0.0859 . 1 . . . . . 281 PRO C . 53910 1 1926 . 1 . 1 281 281 PRO CA C 13 63.1017 0.1479 . 1 . . . . . 281 PRO CA . 53910 1 1927 . 1 . 1 281 281 PRO CB C 13 32.3585 0.8026 . 1 . . . . . 281 PRO CB . 53910 1 1928 . 1 . 1 281 281 PRO CG C 13 27.4530 0.0000 . 1 . . . . . 281 PRO CG . 53910 1 1929 . 1 . 1 281 281 PRO CD C 13 51.4010 0.0000 . 1 . . . . . 281 PRO CD . 53910 1 1930 . 1 . 1 282 282 LEU H H 1 8.5298 0.0178 . 1 . . . . . 282 LEU H . 53910 1 1931 . 1 . 1 282 282 LEU HD11 H 1 0.7067 0.0081 . 2 . . . . . 282 LEU HD1 . 53910 1 1932 . 1 . 1 282 282 LEU HD12 H 1 0.7067 0.0081 . 2 . . . . . 282 LEU HD1 . 53910 1 1933 . 1 . 1 282 282 LEU HD13 H 1 0.7067 0.0081 . 2 . . . . . 282 LEU HD1 . 53910 1 1934 . 1 . 1 282 282 LEU HD21 H 1 0.6765 0.0010 . 2 . . . . . 282 LEU HD2 . 53910 1 1935 . 1 . 1 282 282 LEU HD22 H 1 0.6765 0.0010 . 2 . . . . . 282 LEU HD2 . 53910 1 1936 . 1 . 1 282 282 LEU HD23 H 1 0.6765 0.0010 . 2 . . . . . 282 LEU HD2 . 53910 1 1937 . 1 . 1 282 282 LEU C C 13 176.6582 0.0757 . 1 . . . . . 282 LEU C . 53910 1 1938 . 1 . 1 282 282 LEU CA C 13 52.0492 0.1039 . 1 . . . . . 282 LEU CA . 53910 1 1939 . 1 . 1 282 282 LEU CB C 13 41.9690 0.4092 . 1 . . . . . 282 LEU CB . 53910 1 1940 . 1 . 1 282 282 LEU CG C 13 27.9610 0.1117 . 1 . . . . . 282 LEU CG . 53910 1 1941 . 1 . 1 282 282 LEU CD1 C 13 26.8039 1.8468 . 2 . . . . . 282 LEU CD1 . 53910 1 1942 . 1 . 1 282 282 LEU CD2 C 13 24.2205 1.1681 . 2 . . . . . 282 LEU CD2 . 53910 1 1943 . 1 . 1 282 282 LEU N N 15 125.5416 0.2169 . 1 . . . . . 282 LEU N . 53910 1 1944 . 1 . 1 283 283 VAL H H 1 8.1493 0.0083 . 1 . . . . . 283 VAL H . 53910 1 1945 . 1 . 1 283 283 VAL HG11 H 1 0.8790 0.0042 . 2 . . . . . 283 VAL HG1 . 53910 1 1946 . 1 . 1 283 283 VAL HG12 H 1 0.8790 0.0042 . 2 . . . . . 283 VAL HG1 . 53910 1 1947 . 1 . 1 283 283 VAL HG13 H 1 0.8790 0.0042 . 2 . . . . . 283 VAL HG1 . 53910 1 1948 . 1 . 1 283 283 VAL HG21 H 1 0.9983 0.0004 . 2 . . . . . 283 VAL HG2 . 53910 1 1949 . 1 . 1 283 283 VAL HG22 H 1 0.9983 0.0004 . 2 . . . . . 283 VAL HG2 . 53910 1 1950 . 1 . 1 283 283 VAL HG23 H 1 0.9983 0.0004 . 2 . . . . . 283 VAL HG2 . 53910 1 1951 . 1 . 1 283 283 VAL C C 13 177.3137 0.0886 . 1 . . . . . 283 VAL C . 53910 1 1952 . 1 . 1 283 283 VAL CA C 13 66.2252 0.1456 . 1 . . . . . 283 VAL CA . 53910 1 1953 . 1 . 1 283 283 VAL CB C 13 31.6196 0.4499 . 1 . . . . . 283 VAL CB . 53910 1 1954 . 1 . 1 283 283 VAL CG1 C 13 21.1980 0.0290 . 2 . . . . . 283 VAL CG1 . 53910 1 1955 . 1 . 1 283 283 VAL CG2 C 13 23.4064 0.1297 . 2 . . . . . 283 VAL CG2 . 53910 1 1956 . 1 . 1 283 283 VAL N N 15 123.8557 0.1068 . 1 . . . . . 283 VAL N . 53910 1 1957 . 1 . 1 284 284 GLN H H 1 8.5717 0.0236 . 1 . . . . . 284 GLN H . 53910 1 1958 . 1 . 1 284 284 GLN C C 13 176.8257 0.0664 . 1 . . . . . 284 GLN C . 53910 1 1959 . 1 . 1 284 284 GLN CA C 13 57.3677 0.1078 . 1 . . . . . 284 GLN CA . 53910 1 1960 . 1 . 1 284 284 GLN CB C 13 27.4265 0.5579 . 1 . . . . . 284 GLN CB . 53910 1 1961 . 1 . 1 284 284 GLN N N 15 113.6546 0.1255 . 1 . . . . . 284 GLN N . 53910 1 1962 . 1 . 1 285 285 LEU H H 1 7.1213 0.0251 . 1 . . . . . 285 LEU H . 53910 1 1963 . 1 . 1 285 285 LEU HD11 H 1 0.7047 0.0075 . 2 . . . . . 285 LEU HD1 . 53910 1 1964 . 1 . 1 285 285 LEU HD12 H 1 0.7047 0.0075 . 2 . . . . . 285 LEU HD1 . 53910 1 1965 . 1 . 1 285 285 LEU HD13 H 1 0.7047 0.0075 . 2 . . . . . 285 LEU HD1 . 53910 1 1966 . 1 . 1 285 285 LEU HD21 H 1 0.6963 0.0009 . 2 . . . . . 285 LEU HD2 . 53910 1 1967 . 1 . 1 285 285 LEU HD22 H 1 0.6963 0.0009 . 2 . . . . . 285 LEU HD2 . 53910 1 1968 . 1 . 1 285 285 LEU HD23 H 1 0.6963 0.0009 . 2 . . . . . 285 LEU HD2 . 53910 1 1969 . 1 . 1 285 285 LEU C C 13 176.6709 0.0710 . 1 . . . . . 285 LEU C . 53910 1 1970 . 1 . 1 285 285 LEU CA C 13 56.1912 0.1707 . 1 . . . . . 285 LEU CA . 53910 1 1971 . 1 . 1 285 285 LEU CB C 13 41.7453 0.3715 . 1 . . . . . 285 LEU CB . 53910 1 1972 . 1 . 1 285 285 LEU CG C 13 26.1208 0.0786 . 1 . . . . . 285 LEU CG . 53910 1 1973 . 1 . 1 285 285 LEU CD1 C 13 25.2374 0.0409 . 2 . . . . . 285 LEU CD1 . 53910 1 1974 . 1 . 1 285 285 LEU CD2 C 13 24.2251 2.5318 . 2 . . . . . 285 LEU CD2 . 53910 1 1975 . 1 . 1 285 285 LEU N N 15 119.6501 0.1188 . 1 . . . . . 285 LEU N . 53910 1 1976 . 1 . 1 286 286 LEU H H 1 7.7978 0.0204 . 1 . . . . . 286 LEU H . 53910 1 1977 . 1 . 1 286 286 LEU HD11 H 1 0.8136 0.0048 . 2 . . . . . 286 LEU HD1 . 53910 1 1978 . 1 . 1 286 286 LEU HD12 H 1 0.8136 0.0048 . 2 . . . . . 286 LEU HD1 . 53910 1 1979 . 1 . 1 286 286 LEU HD13 H 1 0.8136 0.0048 . 2 . . . . . 286 LEU HD1 . 53910 1 1980 . 1 . 1 286 286 LEU HD21 H 1 0.6883 0.0019 . 2 . . . . . 286 LEU HD2 . 53910 1 1981 . 1 . 1 286 286 LEU HD22 H 1 0.6883 0.0019 . 2 . . . . . 286 LEU HD2 . 53910 1 1982 . 1 . 1 286 286 LEU HD23 H 1 0.6883 0.0019 . 2 . . . . . 286 LEU HD2 . 53910 1 1983 . 1 . 1 286 286 LEU C C 13 177.4128 0.0939 . 1 . . . . . 286 LEU C . 53910 1 1984 . 1 . 1 286 286 LEU CA C 13 53.3921 0.1149 . 1 . . . . . 286 LEU CA . 53910 1 1985 . 1 . 1 286 286 LEU CB C 13 41.5556 0.3990 . 1 . . . . . 286 LEU CB . 53910 1 1986 . 1 . 1 286 286 LEU CG C 13 27.6747 0.1296 . 1 . . . . . 286 LEU CG . 53910 1 1987 . 1 . 1 286 286 LEU CD1 C 13 25.4186 0.6689 . 2 . . . . . 286 LEU CD1 . 53910 1 1988 . 1 . 1 286 286 LEU CD2 C 13 23.8730 0.0198 . 2 . . . . . 286 LEU CD2 . 53910 1 1989 . 1 . 1 286 286 LEU N N 15 118.7475 0.1453 . 1 . . . . . 286 LEU N . 53910 1 1990 . 1 . 1 287 287 ASN H H 1 9.1343 0.0169 . 1 . . . . . 287 ASN H . 53910 1 1991 . 1 . 1 287 287 ASN C C 13 176.1075 0.0840 . 1 . . . . . 287 ASN C . 53910 1 1992 . 1 . 1 287 287 ASN CA C 13 51.2982 0.1159 . 1 . . . . . 287 ASN CA . 53910 1 1993 . 1 . 1 287 287 ASN CB C 13 37.7145 0.3184 . 1 . . . . . 287 ASN CB . 53910 1 1994 . 1 . 1 287 287 ASN N N 15 121.6651 0.0749 . 1 . . . . . 287 ASN N . 53910 1 1995 . 1 . 1 288 288 GLU H H 1 8.5375 0.0242 . 1 . . . . . 288 GLU H . 53910 1 1996 . 1 . 1 288 288 GLU C C 13 179.3562 0.1050 . 1 . . . . . 288 GLU C . 53910 1 1997 . 1 . 1 288 288 GLU CA C 13 61.2819 0.1109 . 1 . . . . . 288 GLU CA . 53910 1 1998 . 1 . 1 288 288 GLU CB C 13 28.7997 0.6230 . 1 . . . . . 288 GLU CB . 53910 1 1999 . 1 . 1 288 288 GLU CG C 13 37.0330 0.0000 . 1 . . . . . 288 GLU CG . 53910 1 2000 . 1 . 1 288 288 GLU N N 15 118.0133 0.1536 . 1 . . . . . 288 GLU N . 53910 1 2001 . 1 . 1 289 289 GLU H H 1 8.1273 0.0159 . 1 . . . . . 289 GLU H . 53910 1 2002 . 1 . 1 289 289 GLU C C 13 180.1147 0.3459 . 1 . . . . . 289 GLU C . 53910 1 2003 . 1 . 1 289 289 GLU CA C 13 59.5720 0.0482 . 1 . . . . . 289 GLU CA . 53910 1 2004 . 1 . 1 289 289 GLU CB C 13 28.9020 0.5304 . 1 . . . . . 289 GLU CB . 53910 1 2005 . 1 . 1 289 289 GLU CG C 13 36.6520 0.0000 . 1 . . . . . 289 GLU CG . 53910 1 2006 . 1 . 1 289 289 GLU N N 15 121.7489 0.2138 . 1 . . . . . 289 GLU N . 53910 1 2007 . 1 . 1 290 290 GLU H H 1 8.8517 0.0280 . 1 . . . . . 290 GLU H . 53910 1 2008 . 1 . 1 290 290 GLU C C 13 179.7124 0.1690 . 1 . . . . . 290 GLU C . 53910 1 2009 . 1 . 1 290 290 GLU CA C 13 59.3966 0.2141 . 1 . . . . . 290 GLU CA . 53910 1 2010 . 1 . 1 290 290 GLU CB C 13 29.3475 0.1252 . 1 . . . . . 290 GLU CB . 53910 1 2011 . 1 . 1 290 290 GLU N N 15 121.7941 0.5831 . 1 . . . . . 290 GLU N . 53910 1 2012 . 1 . 1 291 291 GLN H H 1 9.0270 0.0377 . 1 . . . . . 291 GLN H . 53910 1 2013 . 1 . 1 291 291 GLN C C 13 179.3222 0.1090 . 1 . . . . . 291 GLN C . 53910 1 2014 . 1 . 1 291 291 GLN CA C 13 60.4644 0.1380 . 1 . . . . . 291 GLN CA . 53910 1 2015 . 1 . 1 291 291 GLN CB C 13 28.2817 0.3171 . 1 . . . . . 291 GLN CB . 53910 1 2016 . 1 . 1 291 291 GLN CG C 13 36.3500 0.0000 . 1 . . . . . 291 GLN CG . 53910 1 2017 . 1 . 1 291 291 GLN N N 15 119.7981 0.1227 . 1 . . . . . 291 GLN N . 53910 1 2018 . 1 . 1 292 292 GLU H H 1 7.9902 0.0155 . 1 . . . . . 292 GLU H . 53910 1 2019 . 1 . 1 292 292 GLU C C 13 180.0160 0.2325 . 1 . . . . . 292 GLU C . 53910 1 2020 . 1 . 1 292 292 GLU CA C 13 59.3890 0.0000 . 1 . . . . . 292 GLU CA . 53910 1 2021 . 1 . 1 292 292 GLU CB C 13 28.4960 0.0000 . 1 . . . . . 292 GLU CB . 53910 1 2022 . 1 . 1 292 292 GLU N N 15 121.1900 0.0768 . 1 . . . . . 292 GLU N . 53910 1 2023 . 1 . 1 293 293 ARG C C 13 179.8423 0.0967 . 1 . . . . . 293 ARG C . 53910 1 2024 . 1 . 1 293 293 ARG CA C 13 59.6223 0.0613 . 1 . . . . . 293 ARG CA . 53910 1 2025 . 1 . 1 293 293 ARG CB C 13 28.6360 0.0000 . 1 . . . . . 293 ARG CB . 53910 1 2026 . 1 . 1 293 293 ARG N N 15 121.5455 0.3709 . 1 . . . . . 293 ARG N . 53910 1 2027 . 1 . 1 294 294 LEU H H 1 8.6220 0.0075 . 1 . . . . . 294 LEU H . 53910 1 2028 . 1 . 1 294 294 LEU HD11 H 1 0.8498 0.0045 . 2 . . . . . 294 LEU HD1 . 53910 1 2029 . 1 . 1 294 294 LEU HD12 H 1 0.8498 0.0045 . 2 . . . . . 294 LEU HD1 . 53910 1 2030 . 1 . 1 294 294 LEU HD13 H 1 0.8498 0.0045 . 2 . . . . . 294 LEU HD1 . 53910 1 2031 . 1 . 1 294 294 LEU HD21 H 1 0.8693 0.0037 . 2 . . . . . 294 LEU HD2 . 53910 1 2032 . 1 . 1 294 294 LEU HD22 H 1 0.8693 0.0037 . 2 . . . . . 294 LEU HD2 . 53910 1 2033 . 1 . 1 294 294 LEU HD23 H 1 0.8693 0.0037 . 2 . . . . . 294 LEU HD2 . 53910 1 2034 . 1 . 1 294 294 LEU C C 13 179.1512 0.1234 . 1 . . . . . 294 LEU C . 53910 1 2035 . 1 . 1 294 294 LEU CA C 13 57.5871 0.1293 . 1 . . . . . 294 LEU CA . 53910 1 2036 . 1 . 1 294 294 LEU CB C 13 42.0578 0.4216 . 1 . . . . . 294 LEU CB . 53910 1 2037 . 1 . 1 294 294 LEU CG C 13 26.9529 0.1465 . 1 . . . . . 294 LEU CG . 53910 1 2038 . 1 . 1 294 294 LEU CD1 C 13 25.0056 0.8093 . 2 . . . . . 294 LEU CD1 . 53910 1 2039 . 1 . 1 294 294 LEU CD2 C 13 25.8172 0.0416 . 2 . . . . . 294 LEU CD2 . 53910 1 2040 . 1 . 1 294 294 LEU N N 15 123.7159 0.0843 . 1 . . . . . 294 LEU N . 53910 1 2041 . 1 . 1 295 295 LYS H H 1 7.9837 0.0156 . 1 . . . . . 295 LYS H . 53910 1 2042 . 1 . 1 295 295 LYS C C 13 179.2233 0.0182 . 1 . . . . . 295 LYS C . 53910 1 2043 . 1 . 1 295 295 LYS CA C 13 60.6339 0.0703 . 1 . . . . . 295 LYS CA . 53910 1 2044 . 1 . 1 295 295 LYS CB C 13 31.7660 0.4818 . 1 . . . . . 295 LYS CB . 53910 1 2045 . 1 . 1 295 295 LYS CG C 13 26.0000 0.0000 . 1 . . . . . 295 LYS CG . 53910 1 2046 . 1 . 1 295 295 LYS CE C 13 42.4090 0.0000 . 1 . . . . . 295 LYS CE . 53910 1 2047 . 1 . 1 295 295 LYS N N 15 119.9464 0.1350 . 1 . . . . . 295 LYS N . 53910 1 2048 . 1 . 1 296 296 ARG H H 1 7.3713 0.0181 . 1 . . . . . 296 ARG H . 53910 1 2049 . 1 . 1 296 296 ARG C C 13 179.9995 0.0837 . 1 . . . . . 296 ARG C . 53910 1 2050 . 1 . 1 296 296 ARG CA C 13 60.0072 0.2558 . 1 . . . . . 296 ARG CA . 53910 1 2051 . 1 . 1 296 296 ARG CB C 13 29.6117 0.7524 . 1 . . . . . 296 ARG CB . 53910 1 2052 . 1 . 1 296 296 ARG N N 15 119.3701 0.4068 . 1 . . . . . 296 ARG N . 53910 1 2053 . 1 . 1 297 297 ALA H H 1 7.9153 0.0112 . 1 . . . . . 297 ALA H . 53910 1 2054 . 1 . 1 297 297 ALA C C 13 179.4096 0.1239 . 1 . . . . . 297 ALA C . 53910 1 2055 . 1 . 1 297 297 ALA CA C 13 54.7989 0.1133 . 1 . . . . . 297 ALA CA . 53910 1 2056 . 1 . 1 297 297 ALA CB C 13 18.4063 0.4759 . 1 . . . . . 297 ALA CB . 53910 1 2057 . 1 . 1 297 297 ALA N N 15 124.4870 0.1119 . 1 . . . . . 297 ALA N . 53910 1 2058 . 1 . 1 298 298 ALA H H 1 8.6354 0.0480 . 1 . . . . . 298 ALA H . 53910 1 2059 . 1 . 1 298 298 ALA C C 13 179.1382 0.1833 . 1 . . . . . 298 ALA C . 53910 1 2060 . 1 . 1 298 298 ALA CA C 13 54.7698 0.7273 . 1 . . . . . 298 ALA CA . 53910 1 2061 . 1 . 1 298 298 ALA CB C 13 18.5397 0.9878 . 1 . . . . . 298 ALA CB . 53910 1 2062 . 1 . 1 298 298 ALA N N 15 118.9855 0.1709 . 1 . . . . . 298 ALA N . 53910 1 2063 . 1 . 1 299 299 LYS H H 1 8.1398 0.0368 . 1 . . . . . 299 LYS H . 53910 1 2064 . 1 . 1 299 299 LYS C C 13 178.4695 0.1454 . 1 . . . . . 299 LYS C . 53910 1 2065 . 1 . 1 299 299 LYS CA C 13 59.5175 0.1197 . 1 . . . . . 299 LYS CA . 53910 1 2066 . 1 . 1 299 299 LYS CB C 13 32.2170 0.5782 . 1 . . . . . 299 LYS CB . 53910 1 2067 . 1 . 1 299 299 LYS N N 15 118.9702 0.1790 . 1 . . . . . 299 LYS N . 53910 1 2068 . 1 . 1 300 300 ALA H H 1 7.3950 0.0058 . 1 . . . . . 300 ALA H . 53910 1 2069 . 1 . 1 300 300 ALA C C 13 181.6221 0.1312 . 1 . . . . . 300 ALA C . 53910 1 2070 . 1 . 1 300 300 ALA CA C 13 55.4458 0.1408 . 1 . . . . . 300 ALA CA . 53910 1 2071 . 1 . 1 300 300 ALA CB C 13 17.9255 0.6128 . 1 . . . . . 300 ALA CB . 53910 1 2072 . 1 . 1 300 300 ALA N N 15 122.5855 0.1997 . 1 . . . . . 300 ALA N . 53910 1 2073 . 1 . 1 301 301 ILE H H 1 7.8705 0.0294 . 1 . . . . . 301 ILE H . 53910 1 2074 . 1 . 1 301 301 ILE HD11 H 1 0.9553 0.0061 . 1 . . . . . 301 ILE HD1 . 53910 1 2075 . 1 . 1 301 301 ILE HD12 H 1 0.9553 0.0061 . 1 . . . . . 301 ILE HD1 . 53910 1 2076 . 1 . 1 301 301 ILE HD13 H 1 0.9553 0.0061 . 1 . . . . . 301 ILE HD1 . 53910 1 2077 . 1 . 1 301 301 ILE C C 13 178.8258 0.1240 . 1 . . . . . 301 ILE C . 53910 1 2078 . 1 . 1 301 301 ILE CA C 13 65.5230 0.1110 . 1 . . . . . 301 ILE CA . 53910 1 2079 . 1 . 1 301 301 ILE CB C 13 39.3467 0.3360 . 1 . . . . . 301 ILE CB . 53910 1 2080 . 1 . 1 301 301 ILE CG1 C 13 29.5541 0.3763 . 1 . . . . . 301 ILE CG1 . 53910 1 2081 . 1 . 1 301 301 ILE CG2 C 13 18.8210 0.0000 . 1 . . . . . 301 ILE CG2 . 53910 1 2082 . 1 . 1 301 301 ILE CD1 C 13 14.6083 0.0528 . 1 . . . . . 301 ILE CD1 . 53910 1 2083 . 1 . 1 301 301 ILE N N 15 121.3805 0.1362 . 1 . . . . . 301 ILE N . 53910 1 2084 . 1 . 1 302 302 ARG H H 1 8.4130 0.0000 . 1 . . . . . 302 ARG H . 53910 1 2085 . 1 . 1 302 302 ARG C C 13 178.4191 0.0626 . 1 . . . . . 302 ARG C . 53910 1 2086 . 1 . 1 302 302 ARG CA C 13 59.0110 0.1510 . 1 . . . . . 302 ARG CA . 53910 1 2087 . 1 . 1 302 302 ARG CB C 13 28.3315 0.4335 . 1 . . . . . 302 ARG CB . 53910 1 2088 . 1 . 1 302 302 ARG N N 15 119.6462 0.1010 . 1 . . . . . 302 ARG N . 53910 1 2089 . 1 . 1 303 303 ASN H H 1 8.2035 0.0090 . 1 . . . . . 303 ASN H . 53910 1 2090 . 1 . 1 303 303 ASN C C 13 178.9359 0.0896 . 1 . . . . . 303 ASN C . 53910 1 2091 . 1 . 1 303 303 ASN CA C 13 56.5539 0.1841 . 1 . . . . . 303 ASN CA . 53910 1 2092 . 1 . 1 303 303 ASN CB C 13 38.4327 0.3448 . 1 . . . . . 303 ASN CB . 53910 1 2093 . 1 . 1 303 303 ASN CG C 13 178.7840 0.0000 . 1 . . . . . 303 ASN CG . 53910 1 2094 . 1 . 1 303 303 ASN N N 15 117.0558 0.1029 . 1 . . . . . 303 ASN N . 53910 1 2095 . 1 . 1 304 304 VAL H H 1 7.6232 0.0159 . 1 . . . . . 304 VAL H . 53910 1 2096 . 1 . 1 304 304 VAL HG11 H 1 0.8608 0.0042 . 2 . . . . . 304 VAL HG1 . 53910 1 2097 . 1 . 1 304 304 VAL HG12 H 1 0.8608 0.0042 . 2 . . . . . 304 VAL HG1 . 53910 1 2098 . 1 . 1 304 304 VAL HG13 H 1 0.8608 0.0042 . 2 . . . . . 304 VAL HG1 . 53910 1 2099 . 1 . 1 304 304 VAL HG21 H 1 1.1223 0.0012 . 2 . . . . . 304 VAL HG2 . 53910 1 2100 . 1 . 1 304 304 VAL HG22 H 1 1.1223 0.0012 . 2 . . . . . 304 VAL HG2 . 53910 1 2101 . 1 . 1 304 304 VAL HG23 H 1 1.1223 0.0012 . 2 . . . . . 304 VAL HG2 . 53910 1 2102 . 1 . 1 304 304 VAL C C 13 179.6022 0.2075 . 1 . . . . . 304 VAL C . 53910 1 2103 . 1 . 1 304 304 VAL CA C 13 66.6927 0.1661 . 1 . . . . . 304 VAL CA . 53910 1 2104 . 1 . 1 304 304 VAL CB C 13 30.7695 0.4476 . 1 . . . . . 304 VAL CB . 53910 1 2105 . 1 . 1 304 304 VAL CG1 C 13 22.6322 0.0562 . 2 . . . . . 304 VAL CG1 . 53910 1 2106 . 1 . 1 304 304 VAL CG2 C 13 23.1109 0.1738 . 2 . . . . . 304 VAL CG2 . 53910 1 2107 . 1 . 1 304 304 VAL N N 15 121.2146 0.1399 . 1 . . . . . 304 VAL N . 53910 1 2108 . 1 . 1 305 305 TYR H H 1 8.4942 0.0315 . 1 . . . . . 305 TYR H . 53910 1 2109 . 1 . 1 305 305 TYR C C 13 176.9283 0.1396 . 1 . . . . . 305 TYR C . 53910 1 2110 . 1 . 1 305 305 TYR CA C 13 61.8093 0.1788 . 1 . . . . . 305 TYR CA . 53910 1 2111 . 1 . 1 305 305 TYR CB C 13 38.7017 0.7576 . 1 . . . . . 305 TYR CB . 53910 1 2112 . 1 . 1 305 305 TYR N N 15 122.3878 0.1645 . 1 . . . . . 305 TYR N . 53910 1 2113 . 1 . 1 306 306 GLU H H 1 8.7368 0.0099 . 1 . . . . . 306 GLU H . 53910 1 2114 . 1 . 1 306 306 GLU C C 13 179.0746 0.1029 . 1 . . . . . 306 GLU C . 53910 1 2115 . 1 . 1 306 306 GLU CA C 13 59.1526 0.0947 . 1 . . . . . 306 GLU CA . 53910 1 2116 . 1 . 1 306 306 GLU CB C 13 29.2000 0.4814 . 1 . . . . . 306 GLU CB . 53910 1 2117 . 1 . 1 306 306 GLU CG C 13 38.0045 0.1987 . 1 . . . . . 306 GLU CG . 53910 1 2118 . 1 . 1 306 306 GLU CD C 13 183.6380 0.2517 . 1 . . . . . 306 GLU CD . 53910 1 2119 . 1 . 1 306 306 GLU N N 15 116.0869 0.1881 . 1 . . . . . 306 GLU N . 53910 1 2120 . 1 . 1 307 307 SER H H 1 7.7205 0.0157 . 1 . . . . . 307 SER H . 53910 1 2121 . 1 . 1 307 307 SER C C 13 175.7372 0.1130 . 1 . . . . . 307 SER C . 53910 1 2122 . 1 . 1 307 307 SER CA C 13 60.2259 0.0651 . 1 . . . . . 307 SER CA . 53910 1 2123 . 1 . 1 307 307 SER CB C 13 63.9745 0.3105 . 1 . . . . . 307 SER CB . 53910 1 2124 . 1 . 1 307 307 SER N N 15 114.2917 0.2153 . 1 . . . . . 307 SER N . 53910 1 2125 . 1 . 1 308 308 ILE H H 1 7.2045 0.0133 . 1 . . . . . 308 ILE H . 53910 1 2126 . 1 . 1 308 308 ILE HD11 H 1 0.5896 0.0022 . 1 . . . . . 308 ILE HD1 . 53910 1 2127 . 1 . 1 308 308 ILE HD12 H 1 0.5896 0.0022 . 1 . . . . . 308 ILE HD1 . 53910 1 2128 . 1 . 1 308 308 ILE HD13 H 1 0.5896 0.0022 . 1 . . . . . 308 ILE HD1 . 53910 1 2129 . 1 . 1 308 308 ILE CA C 13 61.5901 0.2229 . 1 . . . . . 308 ILE CA . 53910 1 2130 . 1 . 1 308 308 ILE CB C 13 37.9325 0.2892 . 1 . . . . . 308 ILE CB . 53910 1 2131 . 1 . 1 308 308 ILE CG1 C 13 26.3959 0.0857 . 1 . . . . . 308 ILE CG1 . 53910 1 2132 . 1 . 1 308 308 ILE CD1 C 13 14.9009 0.0195 . 1 . . . . . 308 ILE CD1 . 53910 1 2133 . 1 . 1 308 308 ILE N N 15 117.4872 0.5010 . 1 . . . . . 308 ILE N . 53910 1 2134 . 1 . 1 309 309 LEU HD11 H 1 0.7058 0.0007 . 2 . . . . . 309 LEU HD1 . 53910 1 2135 . 1 . 1 309 309 LEU HD12 H 1 0.7058 0.0007 . 2 . . . . . 309 LEU HD1 . 53910 1 2136 . 1 . 1 309 309 LEU HD13 H 1 0.7058 0.0007 . 2 . . . . . 309 LEU HD1 . 53910 1 2137 . 1 . 1 309 309 LEU HD21 H 1 0.6109 0.0014 . 2 . . . . . 309 LEU HD2 . 53910 1 2138 . 1 . 1 309 309 LEU HD22 H 1 0.6109 0.0014 . 2 . . . . . 309 LEU HD2 . 53910 1 2139 . 1 . 1 309 309 LEU HD23 H 1 0.6109 0.0014 . 2 . . . . . 309 LEU HD2 . 53910 1 2140 . 1 . 1 309 309 LEU CA C 13 55.3134 0.0052 . 1 . . . . . 309 LEU CA . 53910 1 2141 . 1 . 1 309 309 LEU CB C 13 41.5310 0.0009 . 1 . . . . . 309 LEU CB . 53910 1 2142 . 1 . 1 309 309 LEU CD1 C 13 25.1135 0.0045 . 2 . . . . . 309 LEU CD1 . 53910 1 2143 . 1 . 1 309 309 LEU CD2 C 13 22.7919 0.0068 . 2 . . . . . 309 LEU CD2 . 53910 1 2144 . 1 . 1 310 310 THR HG21 H 1 1.1050 0.0000 . 1 . . . . . 310 THR HG2 . 53910 1 2145 . 1 . 1 310 310 THR HG22 H 1 1.1050 0.0000 . 1 . . . . . 310 THR HG2 . 53910 1 2146 . 1 . 1 310 310 THR HG23 H 1 1.1050 0.0000 . 1 . . . . . 310 THR HG2 . 53910 1 2147 . 1 . 1 310 310 THR CG2 C 13 22.2051 0.0000 . 1 . . . . . 310 THR CG2 . 53910 1 stop_ save_