data_53421 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53421 _Entry.Title ; Assignment of methyl group resonances of the Single chain Fragment variable (ScFv) from ipilimumab ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-11-06 _Entry.Accession_date 2025-11-06 _Entry.Last_release_date 2025-11-06 _Entry.Original_release_date 2025-11-06 _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 _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Faustine Henot . . . . 53421 2 Beatrice Vibert . . . . 53421 3 Jerome Boisbouvier . . . . 53421 4 Oriane Frances . . . . 53421 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 53421 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 504 53421 '15N chemical shifts' 136 53421 '1H chemical shifts' 460 53421 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 . . 2025-11-14 . original BMRB . 53421 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 53420 'Chemical Shift Assignment of ipilimumab variable light domain (VL)' 53421 BMRB 53422 'Assignment of methyl group resonances of Fab fragment from ipilimumab' 53421 BMRB 53423 'Assignment of methyl group resonances of anti-LAMP1 Fab' 53421 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53421 _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 ; A Fast and efficient strategy for the NMR assignment of Fab methyl groups ; _Citation.Status submitted _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _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 Faustine Henot . . . . 53421 1 2 Beatrice Vibert . . . . 53421 1 3 Arthur Giraud . . . . 53421 1 4 Sarra Dbira . . . . 53421 1 5 Lionel Imbert . . . . 53421 1 6 Adrien Favier . . . . 53421 1 7 Peter Guntert . . . . 53421 1 8 Severine Clavier . . . . 53421 1 9 Elodie Crublet . . . . 53421 1 10 Camille Doyen . . . . 53421 1 11 Jerome Boisbouvier . . . . 53421 1 12 Oriane Frances . . . . 53421 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Cell-free 53421 1 'IgG1 Fab' 53421 1 'Isotope labelling' 53421 1 'Methyl groups' 53421 1 'NMR assignment' 53421 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53421 _Assembly.ID 1 _Assembly.Name 'Single chain Fragment variable (ScFv) from ipilimumab' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _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 ScFv 1 $entity_1 . . yes native no no . . . 53421 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 48 48 SG . 1 . 1 CYS 122 122 SG . . . 22 CYS SG . . . 96 CYS SG 53421 1 2 disulfide single . 1 . 1 CYS 187 187 SG . 1 . 1 CYS 253 253 SG . . . 161 CYS SG . . . 227 CYS SG 53421 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53421 _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 ; MSGSHHHHHHSSGIEGRGRE NLYFQGQVQLVESGGGVVQP GRSLRLSCAASGFTFSSYTM HWVRQAPGKGLEWVTFISYD GNNKYYADSVKGRFTISRDN SKNTLYLQMNSLRAEDTAIY YCARTGWLGPFDYWGQGTLV TVSSGGGGSGGGGSGGGGSG GGGSEIVLTQSPGTLSLSPG ERATLSCRASQSVGSSYLAW YQQKPGQAPRLLIYGAFSRA TGIPDRFSGSGSGTDFTLTI SRLEPEDFAVYYCQQYGSSP WTFGQGTKVEIKRT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 274 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _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_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 -25 MET . 53421 1 2 -24 SER . 53421 1 3 -23 GLY . 53421 1 4 -22 SER . 53421 1 5 -21 HIS . 53421 1 6 -20 HIS . 53421 1 7 -19 HIS . 53421 1 8 -18 HIS . 53421 1 9 -17 HIS . 53421 1 10 -16 HIS . 53421 1 11 -15 SER . 53421 1 12 -14 SER . 53421 1 13 -13 GLY . 53421 1 14 -12 ILE . 53421 1 15 -11 GLU . 53421 1 16 -10 GLY . 53421 1 17 -9 ARG . 53421 1 18 -8 GLY . 53421 1 19 -7 ARG . 53421 1 20 -6 GLU . 53421 1 21 -5 ASN . 53421 1 22 -4 LEU . 53421 1 23 -3 TYR . 53421 1 24 -2 PHE . 53421 1 25 -1 GLN . 53421 1 26 0 GLY . 53421 1 27 1 GLN . 53421 1 28 2 VAL . 53421 1 29 3 GLN . 53421 1 30 4 LEU . 53421 1 31 5 VAL . 53421 1 32 6 GLU . 53421 1 33 7 SER . 53421 1 34 8 GLY . 53421 1 35 9 GLY . 53421 1 36 10 GLY . 53421 1 37 11 VAL . 53421 1 38 12 VAL . 53421 1 39 13 GLN . 53421 1 40 14 PRO . 53421 1 41 15 GLY . 53421 1 42 16 ARG . 53421 1 43 17 SER . 53421 1 44 18 LEU . 53421 1 45 19 ARG . 53421 1 46 20 LEU . 53421 1 47 21 SER . 53421 1 48 22 CYS . 53421 1 49 23 ALA . 53421 1 50 24 ALA . 53421 1 51 25 SER . 53421 1 52 26 GLY . 53421 1 53 27 PHE . 53421 1 54 28 THR . 53421 1 55 29 PHE . 53421 1 56 30 SER . 53421 1 57 31 SER . 53421 1 58 32 TYR . 53421 1 59 33 THR . 53421 1 60 34 MET . 53421 1 61 35 HIS . 53421 1 62 36 TRP . 53421 1 63 37 VAL . 53421 1 64 38 ARG . 53421 1 65 39 GLN . 53421 1 66 40 ALA . 53421 1 67 41 PRO . 53421 1 68 42 GLY . 53421 1 69 43 LYS . 53421 1 70 44 GLY . 53421 1 71 45 LEU . 53421 1 72 46 GLU . 53421 1 73 47 TRP . 53421 1 74 48 VAL . 53421 1 75 49 THR . 53421 1 76 50 PHE . 53421 1 77 51 ILE . 53421 1 78 52 SER . 53421 1 79 53 TYR . 53421 1 80 54 ASP . 53421 1 81 55 GLY . 53421 1 82 56 ASN . 53421 1 83 57 ASN . 53421 1 84 58 LYS . 53421 1 85 59 TYR . 53421 1 86 60 TYR . 53421 1 87 61 ALA . 53421 1 88 62 ASP . 53421 1 89 63 SER . 53421 1 90 64 VAL . 53421 1 91 65 LYS . 53421 1 92 66 GLY . 53421 1 93 67 ARG . 53421 1 94 68 PHE . 53421 1 95 69 THR . 53421 1 96 70 ILE . 53421 1 97 71 SER . 53421 1 98 72 ARG . 53421 1 99 73 ASP . 53421 1 100 74 ASN . 53421 1 101 75 SER . 53421 1 102 76 LYS . 53421 1 103 77 ASN . 53421 1 104 78 THR . 53421 1 105 79 LEU . 53421 1 106 80 TYR . 53421 1 107 81 LEU . 53421 1 108 82 GLN . 53421 1 109 83 MET . 53421 1 110 84 ASN . 53421 1 111 85 SER . 53421 1 112 86 LEU . 53421 1 113 87 ARG . 53421 1 114 88 ALA . 53421 1 115 89 GLU . 53421 1 116 90 ASP . 53421 1 117 91 THR . 53421 1 118 92 ALA . 53421 1 119 93 ILE . 53421 1 120 94 TYR . 53421 1 121 95 TYR . 53421 1 122 96 CYS . 53421 1 123 97 ALA . 53421 1 124 98 ARG . 53421 1 125 99 THR . 53421 1 126 100 GLY . 53421 1 127 101 TRP . 53421 1 128 102 LEU . 53421 1 129 103 GLY . 53421 1 130 104 PRO . 53421 1 131 105 PHE . 53421 1 132 106 ASP . 53421 1 133 107 TYR . 53421 1 134 108 TRP . 53421 1 135 109 GLY . 53421 1 136 110 GLN . 53421 1 137 111 GLY . 53421 1 138 112 THR . 53421 1 139 113 LEU . 53421 1 140 114 VAL . 53421 1 141 115 THR . 53421 1 142 116 VAL . 53421 1 143 117 SER . 53421 1 144 118 SER . 53421 1 145 119 GLY . 53421 1 146 120 GLY . 53421 1 147 121 GLY . 53421 1 148 122 GLY . 53421 1 149 123 SER . 53421 1 150 124 GLY . 53421 1 151 125 GLY . 53421 1 152 126 GLY . 53421 1 153 127 GLY . 53421 1 154 128 SER . 53421 1 155 129 GLY . 53421 1 156 130 GLY . 53421 1 157 131 GLY . 53421 1 158 132 GLY . 53421 1 159 133 SER . 53421 1 160 134 GLY . 53421 1 161 135 GLY . 53421 1 162 136 GLY . 53421 1 163 137 GLY . 53421 1 164 138 SER . 53421 1 165 139 GLU . 53421 1 166 140 ILE . 53421 1 167 141 VAL . 53421 1 168 142 LEU . 53421 1 169 143 THR . 53421 1 170 144 GLN . 53421 1 171 145 SER . 53421 1 172 146 PRO . 53421 1 173 147 GLY . 53421 1 174 148 THR . 53421 1 175 149 LEU . 53421 1 176 150 SER . 53421 1 177 151 LEU . 53421 1 178 152 SER . 53421 1 179 153 PRO . 53421 1 180 154 GLY . 53421 1 181 155 GLU . 53421 1 182 156 ARG . 53421 1 183 157 ALA . 53421 1 184 158 THR . 53421 1 185 159 LEU . 53421 1 186 160 SER . 53421 1 187 161 CYS . 53421 1 188 162 ARG . 53421 1 189 163 ALA . 53421 1 190 164 SER . 53421 1 191 165 GLN . 53421 1 192 166 SER . 53421 1 193 167 VAL . 53421 1 194 168 GLY . 53421 1 195 169 SER . 53421 1 196 170 SER . 53421 1 197 171 TYR . 53421 1 198 172 LEU . 53421 1 199 173 ALA . 53421 1 200 174 TRP . 53421 1 201 175 TYR . 53421 1 202 176 GLN . 53421 1 203 177 GLN . 53421 1 204 178 LYS . 53421 1 205 179 PRO . 53421 1 206 180 GLY . 53421 1 207 181 GLN . 53421 1 208 182 ALA . 53421 1 209 183 PRO . 53421 1 210 184 ARG . 53421 1 211 185 LEU . 53421 1 212 186 LEU . 53421 1 213 187 ILE . 53421 1 214 188 TYR . 53421 1 215 189 GLY . 53421 1 216 190 ALA . 53421 1 217 191 PHE . 53421 1 218 192 SER . 53421 1 219 193 ARG . 53421 1 220 194 ALA . 53421 1 221 195 THR . 53421 1 222 196 GLY . 53421 1 223 197 ILE . 53421 1 224 198 PRO . 53421 1 225 199 ASP . 53421 1 226 200 ARG . 53421 1 227 201 PHE . 53421 1 228 202 SER . 53421 1 229 203 GLY . 53421 1 230 204 SER . 53421 1 231 205 GLY . 53421 1 232 206 SER . 53421 1 233 207 GLY . 53421 1 234 208 THR . 53421 1 235 209 ASP . 53421 1 236 210 PHE . 53421 1 237 211 THR . 53421 1 238 212 LEU . 53421 1 239 213 THR . 53421 1 240 214 ILE . 53421 1 241 215 SER . 53421 1 242 216 ARG . 53421 1 243 217 LEU . 53421 1 244 218 GLU . 53421 1 245 219 PRO . 53421 1 246 220 GLU . 53421 1 247 221 ASP . 53421 1 248 222 PHE . 53421 1 249 223 ALA . 53421 1 250 224 VAL . 53421 1 251 225 TYR . 53421 1 252 226 TYR . 53421 1 253 227 CYS . 53421 1 254 228 GLN . 53421 1 255 229 GLN . 53421 1 256 230 TYR . 53421 1 257 231 GLY . 53421 1 258 232 SER . 53421 1 259 233 SER . 53421 1 260 234 PRO . 53421 1 261 235 TRP . 53421 1 262 236 THR . 53421 1 263 237 PHE . 53421 1 264 238 GLY . 53421 1 265 239 GLN . 53421 1 266 240 GLY . 53421 1 267 241 THR . 53421 1 268 242 LYS . 53421 1 269 243 VAL . 53421 1 270 244 GLU . 53421 1 271 245 ILE . 53421 1 272 246 LYS . 53421 1 273 247 ARG . 53421 1 274 248 THR . 53421 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 53421 1 . SER 2 2 53421 1 . GLY 3 3 53421 1 . SER 4 4 53421 1 . HIS 5 5 53421 1 . HIS 6 6 53421 1 . HIS 7 7 53421 1 . HIS 8 8 53421 1 . HIS 9 9 53421 1 . HIS 10 10 53421 1 . SER 11 11 53421 1 . SER 12 12 53421 1 . GLY 13 13 53421 1 . ILE 14 14 53421 1 . GLU 15 15 53421 1 . GLY 16 16 53421 1 . ARG 17 17 53421 1 . GLY 18 18 53421 1 . ARG 19 19 53421 1 . GLU 20 20 53421 1 . ASN 21 21 53421 1 . LEU 22 22 53421 1 . TYR 23 23 53421 1 . PHE 24 24 53421 1 . GLN 25 25 53421 1 . GLY 26 26 53421 1 . GLN 27 27 53421 1 . VAL 28 28 53421 1 . GLN 29 29 53421 1 . LEU 30 30 53421 1 . VAL 31 31 53421 1 . GLU 32 32 53421 1 . SER 33 33 53421 1 . GLY 34 34 53421 1 . GLY 35 35 53421 1 . GLY 36 36 53421 1 . VAL 37 37 53421 1 . VAL 38 38 53421 1 . GLN 39 39 53421 1 . PRO 40 40 53421 1 . GLY 41 41 53421 1 . ARG 42 42 53421 1 . SER 43 43 53421 1 . LEU 44 44 53421 1 . ARG 45 45 53421 1 . LEU 46 46 53421 1 . SER 47 47 53421 1 . CYS 48 48 53421 1 . ALA 49 49 53421 1 . ALA 50 50 53421 1 . SER 51 51 53421 1 . GLY 52 52 53421 1 . PHE 53 53 53421 1 . THR 54 54 53421 1 . PHE 55 55 53421 1 . SER 56 56 53421 1 . SER 57 57 53421 1 . TYR 58 58 53421 1 . THR 59 59 53421 1 . MET 60 60 53421 1 . HIS 61 61 53421 1 . TRP 62 62 53421 1 . VAL 63 63 53421 1 . ARG 64 64 53421 1 . GLN 65 65 53421 1 . ALA 66 66 53421 1 . PRO 67 67 53421 1 . GLY 68 68 53421 1 . LYS 69 69 53421 1 . GLY 70 70 53421 1 . LEU 71 71 53421 1 . GLU 72 72 53421 1 . TRP 73 73 53421 1 . VAL 74 74 53421 1 . THR 75 75 53421 1 . PHE 76 76 53421 1 . ILE 77 77 53421 1 . SER 78 78 53421 1 . TYR 79 79 53421 1 . ASP 80 80 53421 1 . GLY 81 81 53421 1 . ASN 82 82 53421 1 . ASN 83 83 53421 1 . LYS 84 84 53421 1 . TYR 85 85 53421 1 . TYR 86 86 53421 1 . ALA 87 87 53421 1 . ASP 88 88 53421 1 . SER 89 89 53421 1 . VAL 90 90 53421 1 . LYS 91 91 53421 1 . GLY 92 92 53421 1 . ARG 93 93 53421 1 . PHE 94 94 53421 1 . THR 95 95 53421 1 . ILE 96 96 53421 1 . SER 97 97 53421 1 . ARG 98 98 53421 1 . ASP 99 99 53421 1 . ASN 100 100 53421 1 . SER 101 101 53421 1 . LYS 102 102 53421 1 . ASN 103 103 53421 1 . THR 104 104 53421 1 . LEU 105 105 53421 1 . TYR 106 106 53421 1 . LEU 107 107 53421 1 . GLN 108 108 53421 1 . MET 109 109 53421 1 . ASN 110 110 53421 1 . SER 111 111 53421 1 . LEU 112 112 53421 1 . ARG 113 113 53421 1 . ALA 114 114 53421 1 . GLU 115 115 53421 1 . ASP 116 116 53421 1 . THR 117 117 53421 1 . ALA 118 118 53421 1 . ILE 119 119 53421 1 . TYR 120 120 53421 1 . TYR 121 121 53421 1 . CYS 122 122 53421 1 . ALA 123 123 53421 1 . ARG 124 124 53421 1 . THR 125 125 53421 1 . GLY 126 126 53421 1 . TRP 127 127 53421 1 . LEU 128 128 53421 1 . GLY 129 129 53421 1 . PRO 130 130 53421 1 . PHE 131 131 53421 1 . ASP 132 132 53421 1 . TYR 133 133 53421 1 . TRP 134 134 53421 1 . GLY 135 135 53421 1 . GLN 136 136 53421 1 . GLY 137 137 53421 1 . THR 138 138 53421 1 . LEU 139 139 53421 1 . VAL 140 140 53421 1 . THR 141 141 53421 1 . VAL 142 142 53421 1 . SER 143 143 53421 1 . SER 144 144 53421 1 . GLY 145 145 53421 1 . GLY 146 146 53421 1 . GLY 147 147 53421 1 . GLY 148 148 53421 1 . SER 149 149 53421 1 . GLY 150 150 53421 1 . GLY 151 151 53421 1 . GLY 152 152 53421 1 . GLY 153 153 53421 1 . SER 154 154 53421 1 . GLY 155 155 53421 1 . GLY 156 156 53421 1 . GLY 157 157 53421 1 . GLY 158 158 53421 1 . SER 159 159 53421 1 . GLY 160 160 53421 1 . GLY 161 161 53421 1 . GLY 162 162 53421 1 . GLY 163 163 53421 1 . SER 164 164 53421 1 . GLU 165 165 53421 1 . ILE 166 166 53421 1 . VAL 167 167 53421 1 . LEU 168 168 53421 1 . THR 169 169 53421 1 . GLN 170 170 53421 1 . SER 171 171 53421 1 . PRO 172 172 53421 1 . GLY 173 173 53421 1 . THR 174 174 53421 1 . LEU 175 175 53421 1 . SER 176 176 53421 1 . LEU 177 177 53421 1 . SER 178 178 53421 1 . PRO 179 179 53421 1 . GLY 180 180 53421 1 . GLU 181 181 53421 1 . ARG 182 182 53421 1 . ALA 183 183 53421 1 . THR 184 184 53421 1 . LEU 185 185 53421 1 . SER 186 186 53421 1 . CYS 187 187 53421 1 . ARG 188 188 53421 1 . ALA 189 189 53421 1 . SER 190 190 53421 1 . GLN 191 191 53421 1 . SER 192 192 53421 1 . VAL 193 193 53421 1 . GLY 194 194 53421 1 . SER 195 195 53421 1 . SER 196 196 53421 1 . TYR 197 197 53421 1 . LEU 198 198 53421 1 . ALA 199 199 53421 1 . TRP 200 200 53421 1 . TYR 201 201 53421 1 . GLN 202 202 53421 1 . GLN 203 203 53421 1 . LYS 204 204 53421 1 . PRO 205 205 53421 1 . GLY 206 206 53421 1 . GLN 207 207 53421 1 . ALA 208 208 53421 1 . PRO 209 209 53421 1 . ARG 210 210 53421 1 . LEU 211 211 53421 1 . LEU 212 212 53421 1 . ILE 213 213 53421 1 . TYR 214 214 53421 1 . GLY 215 215 53421 1 . ALA 216 216 53421 1 . PHE 217 217 53421 1 . SER 218 218 53421 1 . ARG 219 219 53421 1 . ALA 220 220 53421 1 . THR 221 221 53421 1 . GLY 222 222 53421 1 . ILE 223 223 53421 1 . PRO 224 224 53421 1 . ASP 225 225 53421 1 . ARG 226 226 53421 1 . PHE 227 227 53421 1 . SER 228 228 53421 1 . GLY 229 229 53421 1 . SER 230 230 53421 1 . GLY 231 231 53421 1 . SER 232 232 53421 1 . GLY 233 233 53421 1 . THR 234 234 53421 1 . ASP 235 235 53421 1 . PHE 236 236 53421 1 . THR 237 237 53421 1 . LEU 238 238 53421 1 . THR 239 239 53421 1 . ILE 240 240 53421 1 . SER 241 241 53421 1 . ARG 242 242 53421 1 . LEU 243 243 53421 1 . GLU 244 244 53421 1 . PRO 245 245 53421 1 . GLU 246 246 53421 1 . ASP 247 247 53421 1 . PHE 248 248 53421 1 . ALA 249 249 53421 1 . VAL 250 250 53421 1 . TYR 251 251 53421 1 . TYR 252 252 53421 1 . CYS 253 253 53421 1 . GLN 254 254 53421 1 . GLN 255 255 53421 1 . TYR 256 256 53421 1 . GLY 257 257 53421 1 . SER 258 258 53421 1 . SER 259 259 53421 1 . PRO 260 260 53421 1 . TRP 261 261 53421 1 . THR 262 262 53421 1 . PHE 263 263 53421 1 . GLY 264 264 53421 1 . GLN 265 265 53421 1 . GLY 266 266 53421 1 . THR 267 267 53421 1 . LYS 268 268 53421 1 . VAL 269 269 53421 1 . GLU 270 270 53421 1 . ILE 271 271 53421 1 . LYS 272 272 53421 1 . ARG 273 273 53421 1 . THR 274 274 53421 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 53421 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 53421 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 53421 _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 . 'cell free synthesis' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . 'pIVEX 2.4d' . . . 53421 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53421 _Sample.ID 1 _Sample.Name 'Ipilimumab ScFv Met/Ala' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '100% 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 'Single Chain Fragment Variable (ScFv) from ipilimumab' '[Met, Ala: 13CH3]' . . 1 $entity_1 . . 172 . . uM . . . . 53421 1 2 MES 'natural abundance' . . . . . . 50 . . mM . . . . 53421 1 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 53421 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 53421 _Sample.ID 2 _Sample.Name 'Ipilimumab ScFv Met/Ile-d1/Thr' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '100% 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 'Single Chain Fragment Variable (ScFv) from ipilimumab' '[Met, Ile-d1, Thr: 13CH3]' . . 1 $entity_1 . . 153 . . uM . . . . 53421 2 2 MES 'natural abundance' . . . . . . 50 . . mM . . . . 53421 2 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 53421 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 53421 _Sample.ID 3 _Sample.Name 'Ipilimumab ScFv Met/Val-pro-S/Val-pro-R' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '100% 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 'Single Chain Fragment Variable (ScFv) from ipilimumab' '[Met, Val-pro-S, Val-pro-R: 13CH3]' . . 1 $entity_1 . . 47 . . uM . . . . 53421 3 2 MES 'natural abundance' . . . . . . 50 . . mM . . . . 53421 3 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 53421 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 53421 _Sample.ID 4 _Sample.Name 'Ipilimumab ScFv Met/Ile-d1/Val-pro-S' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '100% 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 'Single Chain Fragment Variable (ScFv) from ipilimumab' '[Met, Ile-d1, Val-pro-S: 13CH3]' . . 1 $entity_1 . . 20 . . uM . . . . 53421 4 2 MES 'natural abundance' . . . . . . 50 . . mM . . . . 53421 4 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 53421 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 53421 _Sample.ID 5 _Sample.Name 'Ipilimumab ScFv Met/Leu-pro-R' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '100% 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 'Single Chain Fragment Variable (ScFv) from ipilimumab' '[Met, Leu-pro-R: 13CH3]' . . 1 $entity_1 . . 114 . . uM . . . . 53421 5 2 MES 'natural abundance' . . . . . . 50 . . mM . . . . 53421 5 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 53421 5 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 53421 _Sample.ID 6 _Sample.Name 'Ipilimumab ScFv U-[1H,15N,13C]' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Single Chain Fragment Variable (ScFv) from ipilimumab' '[U-13C; U-15N]' . . 1 $entity_1 . . 218 . . uM . . . . 53421 6 2 MES 'natural abundance' . . . . . . 50 . . mM . . . . 53421 6 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 53421 6 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 53421 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Samples in 10% D2O' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.125 . M 53421 1 pH 6.5 . pH 53421 1 pressure 1 . atm 53421 1 temperature 313 . K 53421 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 53421 _Sample_condition_list.ID 2 _Sample_condition_list.Name 'Samples in 100% D2O' _Sample_condition_list.Details 'For the Ipilimumab ScFv Met/Leu-pro-R sample the spectrum was recorded at 308K' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.125 . M 53421 2 pH 6.9 . pH 53421 2 pressure 1 . atm 53421 2 temperature 313 . K 53421 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53421 _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 'data analysis' . 53421 1 'peak picking' . 53421 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 53421 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 53421 2 processing . 53421 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 53421 _Software.ID 3 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 53421 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 53421 _Software.ID 4 _Software.Type . _Software.Name Chimera _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 53421 4 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 53421 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 600' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 53421 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 'Bruker 800' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 53421 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name 'Bruker 850' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 53421 _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 '2D 1H-13C HMQC' yes no . . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 53421 1 2 '2D 1H-13C HMQC' yes . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 53421 1 3 '2D 1H-13C HMQC' yes no . . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53421 1 4 '2D 1H-13C HMQC' yes no . . . . . . . . . . . 4 $sample_4 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53421 1 5 '2D 1H-13C HMQC' yes no . . . . . . . . . . . 5 $sample_5 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 53421 1 6 '2D 1H-13C HMQC' yes no . . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 53421 1 7 '2D 1H-15N TROSY' yes no . . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 53421 1 8 '3D HN(CO)CA' yes no . . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53421 1 9 '3D HCCH-TOCSY' yes no . . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53421 1 10 '3D HNCO' yes no . . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53421 1 11 '3D HNCACB' yes no . . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 53421 1 12 '3D HNCA' yes no . . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 53421 1 13 '3D HN(CA)CO' yes no . . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 53421 1 14 '3D HCH NOESY' yes no . . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 53421 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 '2D 1H-13C HMQC' HMQC-Met-Ala.zip . 'NMR experiment directory' . . 53421 1 2 '2D 1H-13C HMQC' HMQC-Met-Ile-d1-Thr.zip . 'NMR experiment directory' . . 53421 1 3 '2D 1H-13C HMQC' HMQC-Met-Val-proS-proR.zip . 'NMR experiment directory' . . 53421 1 4 '2D 1H-13C HMQC' HMQC-Met-Ile-d1_Val-proS.zip . 'NMR experiment directory' . . 53421 1 5 '2D 1H-13C HMQC' HMQC-Met-Leu-proR.zip . 'NMR experiment directory' . . 53421 1 6 '2D 1H-13C HMQC' HMQC_all_methyls.zip . 'NMR experiment directory' . . 53421 1 7 '2D 1H-15N TROSY' BTROSY.zip . 'NMR experiment directory' . . 53421 1 8 '3D HN(CO)CA' HNCOCA.zip . 'NMR experiment directory' . . 53421 1 9 '3D HCCH-TOCSY' hCCH.zip . 'NMR experiment directory' . . 53421 1 10 '3D HNCO' HNCO.zip . 'NMR experiment directory' . . 53421 1 11 '3D HNCACB' HNCACB.zip . 'NMR experiment directory' . . 53421 1 12 '3D HNCA' HNCA.zip . 'NMR experiment directory' . . 53421 1 13 '3D HN(CA)CO' HNCACO.zip . 'NMR experiment directory' . . 53421 1 14 '3D HCH NOESY' NOESY.zip . 'NMR experiment directory' . . 53421 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 53421 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'ScFv ipilimumab chemical shifts' _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 carbons' . . . . ppm 0 na direct 1 . . . . . 53421 1 H 1 DSS 'methyl protons' . . . . ppm 0 na direct 1 . . . . . 53421 1 N 15 DSS nitrogen . . . . ppm 0 na direct 1 . . . . . 53421 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 53421 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'ScFv ipilimumab 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 '2D 1H-13C HMQC' . . . 53421 1 2 '2D 1H-13C HMQC' . . . 53421 1 3 '2D 1H-13C HMQC' . . . 53421 1 4 '2D 1H-13C HMQC' . . . 53421 1 5 '2D 1H-13C HMQC' . . . 53421 1 6 '2D 1H-13C HMQC' . . . 53421 1 7 '2D 1H-15N TROSY' . . . 53421 1 8 '3D HN(CO)CA' . . . 53421 1 9 '3D HCCH-TOCSY' . . . 53421 1 10 '3D HNCO' . . . 53421 1 11 '3D HNCACB' . . . 53421 1 12 '3D HNCA' . . . 53421 1 13 '3D HN(CA)CO' . . . 53421 1 14 '3D HCH NOESY' . . . 53421 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 . . 53421 1 4 $software_4 . . 53421 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 13 13 GLY C C 13 174.08 0.08 . 1 . . . . . -13 GLY C . 53421 1 2 . 1 . 1 13 13 GLY CA C 13 45.34 0.08 . 1 . . . . . -13 GLY CA . 53421 1 3 . 1 . 1 14 14 ILE H H 1 8.28 0.08 . 1 . . . . . -12 ILE H . 53421 1 4 . 1 . 1 14 14 ILE HG21 H 1 0.87 0.08 . 1 . . . . . -12 ILE MG . 53421 1 5 . 1 . 1 14 14 ILE HG22 H 1 0.87 0.08 . 1 . . . . . -12 ILE MG . 53421 1 6 . 1 . 1 14 14 ILE HG23 H 1 0.87 0.08 . 1 . . . . . -12 ILE MG . 53421 1 7 . 1 . 1 14 14 ILE HD11 H 1 0.82 0.08 . 1 . . . . . -12 ILE MD . 53421 1 8 . 1 . 1 14 14 ILE HD12 H 1 0.82 0.08 . 1 . . . . . -12 ILE MD . 53421 1 9 . 1 . 1 14 14 ILE HD13 H 1 0.82 0.08 . 1 . . . . . -12 ILE MD . 53421 1 10 . 1 . 1 14 14 ILE C C 13 176.37 0.08 . 1 . . . . . -12 ILE C . 53421 1 11 . 1 . 1 14 14 ILE CA C 13 61.47 0.08 . 1 . . . . . -12 ILE CA . 53421 1 12 . 1 . 1 14 14 ILE CB C 13 38.83 0.08 . 1 . . . . . -12 ILE CB . 53421 1 13 . 1 . 1 14 14 ILE CG2 C 13 17.62 0.08 . 1 . . . . . -12 ILE CG2 . 53421 1 14 . 1 . 1 14 14 ILE CD1 C 13 13.19 0.08 . 1 . . . . . -12 ILE CD1 . 53421 1 15 . 1 . 1 14 14 ILE N N 15 120.34 0.08 . 1 . . . . . -12 ILE N . 53421 1 16 . 1 . 1 15 15 GLU H H 1 8.63 0.08 . 1 . . . . . -11 GLU H . 53421 1 17 . 1 . 1 15 15 GLU C C 13 176.88 0.08 . 1 . . . . . -11 GLU C . 53421 1 18 . 1 . 1 15 15 GLU CA C 13 56.96 0.08 . 1 . . . . . -11 GLU CA . 53421 1 19 . 1 . 1 15 15 GLU CB C 13 30.12 0.08 . 1 . . . . . -11 GLU CB . 53421 1 20 . 1 . 1 15 15 GLU N N 15 124.56 0.08 . 1 . . . . . -11 GLU N . 53421 1 21 . 1 . 1 16 16 GLY H H 1 8.47 0.08 . 1 . . . . . -10 GLY H . 53421 1 22 . 1 . 1 16 16 GLY C C 13 173.29 0.08 . 1 . . . . . -10 GLY C . 53421 1 23 . 1 . 1 16 16 GLY CA C 13 45.63 0.08 . 1 . . . . . -10 GLY CA . 53421 1 24 . 1 . 1 16 16 GLY N N 15 110.35 0.08 . 1 . . . . . -10 GLY N . 53421 1 25 . 1 . 1 17 17 ARG H H 1 7.85 0.08 . 1 . . . . . -9 ARG H . 53421 1 26 . 1 . 1 17 17 ARG C C 13 180.94 0.08 . 1 . . . . . -9 ARG C . 53421 1 27 . 1 . 1 17 17 ARG CA C 13 57.28 0.08 . 1 . . . . . -9 ARG CA . 53421 1 28 . 1 . 1 17 17 ARG CB C 13 31.6 0.08 . 1 . . . . . -9 ARG CB . 53421 1 29 . 1 . 1 17 17 ARG N N 15 125.57 0.08 . 1 . . . . . -9 ARG N . 53421 1 30 . 1 . 1 22 22 LEU HD11 H 1 0.86 0.08 . 1 . . . . . -4 LEU MD1 . 53421 1 31 . 1 . 1 22 22 LEU HD12 H 1 0.86 0.08 . 1 . . . . . -4 LEU MD1 . 53421 1 32 . 1 . 1 22 22 LEU HD13 H 1 0.86 0.08 . 1 . . . . . -4 LEU MD1 . 53421 1 33 . 1 . 1 22 22 LEU HD21 H 1 0.79 0.08 . 1 . . . . . -4 LEU MD2 . 53421 1 34 . 1 . 1 22 22 LEU HD22 H 1 0.79 0.08 . 1 . . . . . -4 LEU MD2 . 53421 1 35 . 1 . 1 22 22 LEU HD23 H 1 0.79 0.08 . 1 . . . . . -4 LEU MD2 . 53421 1 36 . 1 . 1 22 22 LEU CD1 C 13 24.99 0.08 . 1 . . . . . -4 LEU CD1 . 53421 1 37 . 1 . 1 22 22 LEU CD2 C 13 23.48 0.08 . 1 . . . . . -4 LEU CD2 . 53421 1 38 . 1 . 1 26 26 GLY C C 13 173.48 0.08 . 1 . . . . . 0 GLY C . 53421 1 39 . 1 . 1 26 26 GLY CA C 13 45.23 0.08 . 1 . . . . . 0 GLY CA . 53421 1 40 . 1 . 1 27 27 GLN H H 1 8.26 0.08 . 1 . . . . . 1 GLN H . 53421 1 41 . 1 . 1 27 27 GLN C C 13 175.39 0.08 . 1 . . . . . 1 GLN C . 53421 1 42 . 1 . 1 27 27 GLN CA C 13 55.51 0.08 . 1 . . . . . 1 GLN CA . 53421 1 43 . 1 . 1 27 27 GLN CB C 13 29.82 0.08 . 1 . . . . . 1 GLN CB . 53421 1 44 . 1 . 1 27 27 GLN N N 15 120.08 0.08 . 1 . . . . . 1 GLN N . 53421 1 45 . 1 . 1 28 28 VAL H H 1 8.00 0.08 . 1 . . . . . 2 VAL H . 53421 1 46 . 1 . 1 28 28 VAL HG11 H 1 0.03 0.08 . 1 . . . . . 2 VAL MG1 . 53421 1 47 . 1 . 1 28 28 VAL HG12 H 1 0.03 0.08 . 1 . . . . . 2 VAL MG1 . 53421 1 48 . 1 . 1 28 28 VAL HG13 H 1 0.03 0.08 . 1 . . . . . 2 VAL MG1 . 53421 1 49 . 1 . 1 28 28 VAL HG21 H 1 0.4 0.08 . 1 . . . . . 2 VAL MG2 . 53421 1 50 . 1 . 1 28 28 VAL HG22 H 1 0.4 0.08 . 1 . . . . . 2 VAL MG2 . 53421 1 51 . 1 . 1 28 28 VAL HG23 H 1 0.4 0.08 . 1 . . . . . 2 VAL MG2 . 53421 1 52 . 1 . 1 28 28 VAL C C 13 175.73 0.08 . 1 . . . . . 2 VAL C . 53421 1 53 . 1 . 1 28 28 VAL CA C 13 63.4 0.08 . 1 . . . . . 2 VAL CA . 53421 1 54 . 1 . 1 28 28 VAL CB C 13 32.03 0.08 . 1 . . . . . 2 VAL CB . 53421 1 55 . 1 . 1 28 28 VAL CG1 C 13 20.9 0.08 . 1 . . . . . 2 VAL CG1 . 53421 1 56 . 1 . 1 28 28 VAL CG2 C 13 21.61 0.08 . 1 . . . . . 2 VAL CG2 . 53421 1 57 . 1 . 1 28 28 VAL N N 15 123.72 0.08 . 1 . . . . . 2 VAL N . 53421 1 58 . 1 . 1 29 29 GLN H H 1 8.53 0.08 . 1 . . . . . 3 GLN H . 53421 1 59 . 1 . 1 29 29 GLN C C 13 173.75 0.08 . 1 . . . . . 3 GLN C . 53421 1 60 . 1 . 1 29 29 GLN CA C 13 55.47 0.08 . 1 . . . . . 3 GLN CA . 53421 1 61 . 1 . 1 29 29 GLN CB C 13 32.9 0.08 . 1 . . . . . 3 GLN CB . 53421 1 62 . 1 . 1 29 29 GLN N N 15 125.59 0.08 . 1 . . . . . 3 GLN N . 53421 1 63 . 1 . 1 30 30 LEU H H 1 8.48 0.08 . 1 . . . . . 4 LEU H . 53421 1 64 . 1 . 1 30 30 LEU HD11 H 1 0.61 0.08 . 1 . . . . . 4 LEU MD1 . 53421 1 65 . 1 . 1 30 30 LEU HD12 H 1 0.61 0.08 . 1 . . . . . 4 LEU MD1 . 53421 1 66 . 1 . 1 30 30 LEU HD13 H 1 0.61 0.08 . 1 . . . . . 4 LEU MD1 . 53421 1 67 . 1 . 1 30 30 LEU HD21 H 1 0.95 0.08 . 1 . . . . . 4 LEU MD2 . 53421 1 68 . 1 . 1 30 30 LEU HD22 H 1 0.95 0.08 . 1 . . . . . 4 LEU MD2 . 53421 1 69 . 1 . 1 30 30 LEU HD23 H 1 0.95 0.08 . 1 . . . . . 4 LEU MD2 . 53421 1 70 . 1 . 1 30 30 LEU C C 13 175.58 0.08 . 1 . . . . . 4 LEU C . 53421 1 71 . 1 . 1 30 30 LEU CA C 13 54.08 0.08 . 1 . . . . . 4 LEU CA . 53421 1 72 . 1 . 1 30 30 LEU CB C 13 44.33 0.08 . 1 . . . . . 4 LEU CB . 53421 1 73 . 1 . 1 30 30 LEU CD1 C 13 26.08 0.08 . 1 . . . . . 4 LEU CD1 . 53421 1 74 . 1 . 1 30 30 LEU CD2 C 13 24.97 0.08 . 1 . . . . . 4 LEU CD2 . 53421 1 75 . 1 . 1 30 30 LEU N N 15 125.07 0.08 . 1 . . . . . 4 LEU N . 53421 1 76 . 1 . 1 34 34 GLY C C 13 174.28 0.08 . 1 . . . . . 8 GLY C . 53421 1 77 . 1 . 1 34 34 GLY CA C 13 44.97 0.08 . 1 . . . . . 8 GLY CA . 53421 1 78 . 1 . 1 35 35 GLY H H 1 7.69 0.08 . 1 . . . . . 9 GLY H . 53421 1 79 . 1 . 1 35 35 GLY C C 13 172.84 0.08 . 1 . . . . . 9 GLY C . 53421 1 80 . 1 . 1 35 35 GLY CA C 13 45.53 0.08 . 1 . . . . . 9 GLY CA . 53421 1 81 . 1 . 1 35 35 GLY N N 15 105.91 0.08 . 1 . . . . . 9 GLY N . 53421 1 82 . 1 . 1 36 36 GLY H H 1 7.56 0.08 . 1 . . . . . 10 GLY H . 53421 1 83 . 1 . 1 36 36 GLY C C 13 171.12 0.08 . 1 . . . . . 10 GLY C . 53421 1 84 . 1 . 1 36 36 GLY CA C 13 44.85 0.08 . 1 . . . . . 10 GLY CA . 53421 1 85 . 1 . 1 36 36 GLY N N 15 107.26 0.08 . 1 . . . . . 10 GLY N . 53421 1 86 . 1 . 1 37 37 VAL H H 1 8.28 0.08 . 1 . . . . . 11 VAL H . 53421 1 87 . 1 . 1 37 37 VAL HG11 H 1 0.85 0.08 . 1 . . . . . 11 VAL MG1 . 53421 1 88 . 1 . 1 37 37 VAL HG12 H 1 0.85 0.08 . 1 . . . . . 11 VAL MG1 . 53421 1 89 . 1 . 1 37 37 VAL HG13 H 1 0.85 0.08 . 1 . . . . . 11 VAL MG1 . 53421 1 90 . 1 . 1 37 37 VAL C C 13 176.46 0.08 . 1 . . . . . 11 VAL C . 53421 1 91 . 1 . 1 37 37 VAL CA C 13 61.23 0.08 . 1 . . . . . 11 VAL CA . 53421 1 92 . 1 . 1 37 37 VAL CB C 13 32.3 0.08 . 1 . . . . . 11 VAL CB . 53421 1 93 . 1 . 1 37 37 VAL CG1 C 13 20.99 0.08 . 1 . . . . . 11 VAL CG1 . 53421 1 94 . 1 . 1 37 37 VAL N N 15 121.05 0.08 . 1 . . . . . 11 VAL N . 53421 1 95 . 1 . 1 38 38 VAL H H 1 9.14 0.08 . 1 . . . . . 12 VAL H . 53421 1 96 . 1 . 1 38 38 VAL HG11 H 1 0.79 0.08 . 1 . . . . . 12 VAL MG1 . 53421 1 97 . 1 . 1 38 38 VAL HG12 H 1 0.79 0.08 . 1 . . . . . 12 VAL MG1 . 53421 1 98 . 1 . 1 38 38 VAL HG13 H 1 0.79 0.08 . 1 . . . . . 12 VAL MG1 . 53421 1 99 . 1 . 1 38 38 VAL HG21 H 1 0.74 0.08 . 1 . . . . . 12 VAL MG2 . 53421 1 100 . 1 . 1 38 38 VAL HG22 H 1 0.74 0.08 . 1 . . . . . 12 VAL MG2 . 53421 1 101 . 1 . 1 38 38 VAL HG23 H 1 0.74 0.08 . 1 . . . . . 12 VAL MG2 . 53421 1 102 . 1 . 1 38 38 VAL C C 13 173.59 0.08 . 1 . . . . . 12 VAL C . 53421 1 103 . 1 . 1 38 38 VAL CA C 13 59.19 0.08 . 1 . . . . . 12 VAL CA . 53421 1 104 . 1 . 1 38 38 VAL CB C 13 36.02 0.08 . 1 . . . . . 12 VAL CB . 53421 1 105 . 1 . 1 38 38 VAL CG1 C 13 22.00 0.08 . 1 . . . . . 12 VAL CG1 . 53421 1 106 . 1 . 1 38 38 VAL CG2 C 13 20.88 0.08 . 1 . . . . . 12 VAL CG2 . 53421 1 107 . 1 . 1 38 38 VAL N N 15 124.85 0.08 . 1 . . . . . 12 VAL N . 53421 1 108 . 1 . 1 39 39 GLN H H 1 7.98 0.08 . 1 . . . . . 13 GLN H . 53421 1 109 . 1 . 1 39 39 GLN C C 13 173.21 0.08 . 1 . . . . . 13 GLN C . 53421 1 110 . 1 . 1 39 39 GLN CA C 13 53.99 0.08 . 1 . . . . . 13 GLN CA . 53421 1 111 . 1 . 1 39 39 GLN CB C 13 28.6 0.08 . 1 . . . . . 13 GLN CB . 53421 1 112 . 1 . 1 39 39 GLN N N 15 122.1 0.08 . 1 . . . . . 13 GLN N . 53421 1 113 . 1 . 1 41 41 GLY C C 13 174.78 0.08 . 1 . . . . . 15 GLY C . 53421 1 114 . 1 . 1 41 41 GLY CA C 13 45.1 0.08 . 1 . . . . . 15 GLY CA . 53421 1 115 . 1 . 1 42 42 ARG H H 1 7.5 0.08 . 1 . . . . . 16 ARG H . 53421 1 116 . 1 . 1 42 42 ARG C C 13 173.09 0.08 . 1 . . . . . 16 ARG C . 53421 1 117 . 1 . 1 42 42 ARG CA C 13 54.91 0.08 . 1 . . . . . 16 ARG CA . 53421 1 118 . 1 . 1 42 42 ARG CB C 13 29.9 0.08 . 1 . . . . . 16 ARG CB . 53421 1 119 . 1 . 1 42 42 ARG N N 15 120.27 0.08 . 1 . . . . . 16 ARG N . 53421 1 120 . 1 . 1 43 43 SER H H 1 7.74 0.08 . 1 . . . . . 17 SER H . 53421 1 121 . 1 . 1 43 43 SER C C 13 173.2 0.08 . 1 . . . . . 17 SER C . 53421 1 122 . 1 . 1 43 43 SER CA C 13 56.79 0.08 . 1 . . . . . 17 SER CA . 53421 1 123 . 1 . 1 43 43 SER CB C 13 66.95 0.08 . 1 . . . . . 17 SER CB . 53421 1 124 . 1 . 1 43 43 SER N N 15 110.76 0.08 . 1 . . . . . 17 SER N . 53421 1 125 . 1 . 1 44 44 LEU H H 1 8.61 0.08 . 1 . . . . . 18 LEU H . 53421 1 126 . 1 . 1 44 44 LEU HD11 H 1 0.76 0.08 . 1 . . . . . 18 LEU MD1 . 53421 1 127 . 1 . 1 44 44 LEU HD12 H 1 0.76 0.08 . 1 . . . . . 18 LEU MD1 . 53421 1 128 . 1 . 1 44 44 LEU HD13 H 1 0.76 0.08 . 1 . . . . . 18 LEU MD1 . 53421 1 129 . 1 . 1 44 44 LEU HD21 H 1 0.7 0.08 . 1 . . . . . 18 LEU MD2 . 53421 1 130 . 1 . 1 44 44 LEU HD22 H 1 0.7 0.08 . 1 . . . . . 18 LEU MD2 . 53421 1 131 . 1 . 1 44 44 LEU HD23 H 1 0.7 0.08 . 1 . . . . . 18 LEU MD2 . 53421 1 132 . 1 . 1 44 44 LEU C C 13 173.43 0.08 . 1 . . . . . 18 LEU C . 53421 1 133 . 1 . 1 44 44 LEU CA C 13 54.74 0.08 . 1 . . . . . 18 LEU CA . 53421 1 134 . 1 . 1 44 44 LEU CB C 13 47.79 0.08 . 1 . . . . . 18 LEU CB . 53421 1 135 . 1 . 1 44 44 LEU CD1 C 13 24.93 0.08 . 1 . . . . . 18 LEU CD1 . 53421 1 136 . 1 . 1 44 44 LEU CD2 C 13 25.58 0.08 . 1 . . . . . 18 LEU CD2 . 53421 1 137 . 1 . 1 44 44 LEU N N 15 121.76 0.08 . 1 . . . . . 18 LEU N . 53421 1 138 . 1 . 1 45 45 ARG H H 1 8.15 0.08 . 1 . . . . . 19 ARG H . 53421 1 139 . 1 . 1 45 45 ARG C C 13 175.58 0.08 . 1 . . . . . 19 ARG C . 53421 1 140 . 1 . 1 45 45 ARG CA C 13 54.4 0.08 . 1 . . . . . 19 ARG CA . 53421 1 141 . 1 . 1 45 45 ARG CB C 13 32.73 0.08 . 1 . . . . . 19 ARG CB . 53421 1 142 . 1 . 1 45 45 ARG N N 15 123.46 0.08 . 1 . . . . . 19 ARG N . 53421 1 143 . 1 . 1 46 46 LEU H H 1 9.06 0.08 . 1 . . . . . 20 LEU H . 53421 1 144 . 1 . 1 46 46 LEU HD11 H 1 -0.14 0.08 . 1 . . . . . 20 LEU MD1 . 53421 1 145 . 1 . 1 46 46 LEU HD12 H 1 -0.14 0.08 . 1 . . . . . 20 LEU MD1 . 53421 1 146 . 1 . 1 46 46 LEU HD13 H 1 -0.14 0.08 . 1 . . . . . 20 LEU MD1 . 53421 1 147 . 1 . 1 46 46 LEU HD21 H 1 0.27 0.08 . 1 . . . . . 20 LEU MD2 . 53421 1 148 . 1 . 1 46 46 LEU HD22 H 1 0.27 0.08 . 1 . . . . . 20 LEU MD2 . 53421 1 149 . 1 . 1 46 46 LEU HD23 H 1 0.27 0.08 . 1 . . . . . 20 LEU MD2 . 53421 1 150 . 1 . 1 46 46 LEU C C 13 176.86 0.08 . 1 . . . . . 20 LEU C . 53421 1 151 . 1 . 1 46 46 LEU CA C 13 53.1 0.08 . 1 . . . . . 20 LEU CA . 53421 1 152 . 1 . 1 46 46 LEU CD1 C 13 25.75 0.08 . 1 . . . . . 20 LEU CD1 . 53421 1 153 . 1 . 1 46 46 LEU CD2 C 13 21.13 0.08 . 1 . . . . . 20 LEU CD2 . 53421 1 154 . 1 . 1 46 46 LEU N N 15 126.75 0.08 . 1 . . . . . 20 LEU N . 53421 1 155 . 1 . 1 47 47 SER H H 1 8.88 0.08 . 1 . . . . . 21 SER H . 53421 1 156 . 1 . 1 47 47 SER C C 13 173.35 0.08 . 1 . . . . . 21 SER C . 53421 1 157 . 1 . 1 47 47 SER CA C 13 56.91 0.08 . 1 . . . . . 21 SER CA . 53421 1 158 . 1 . 1 47 47 SER CB C 13 66.87 0.08 . 1 . . . . . 21 SER CB . 53421 1 159 . 1 . 1 47 47 SER N N 15 113.69 0.08 . 1 . . . . . 21 SER N . 53421 1 160 . 1 . 1 49 49 ALA HB1 H 1 1.34 0.08 . 1 . . . . . 23 ALA MB . 53421 1 161 . 1 . 1 49 49 ALA HB2 H 1 1.34 0.08 . 1 . . . . . 23 ALA MB . 53421 1 162 . 1 . 1 49 49 ALA HB3 H 1 1.34 0.08 . 1 . . . . . 23 ALA MB . 53421 1 163 . 1 . 1 49 49 ALA C C 13 176.3 0.08 . 1 . . . . . 23 ALA C . 53421 1 164 . 1 . 1 49 49 ALA CA C 13 51.23 0.08 . 1 . . . . . 23 ALA CA . 53421 1 165 . 1 . 1 49 49 ALA CB C 13 20.3 0.08 . 1 . . . . . 23 ALA CB . 53421 1 166 . 1 . 1 50 50 ALA H H 1 8.43 0.08 . 1 . . . . . 24 ALA H . 53421 1 167 . 1 . 1 50 50 ALA HB1 H 1 1.01 0.08 . 1 . . . . . 24 ALA MB . 53421 1 168 . 1 . 1 50 50 ALA HB2 H 1 1.01 0.08 . 1 . . . . . 24 ALA MB . 53421 1 169 . 1 . 1 50 50 ALA HB3 H 1 1.01 0.08 . 1 . . . . . 24 ALA MB . 53421 1 170 . 1 . 1 50 50 ALA C C 13 176.37 0.08 . 1 . . . . . 24 ALA C . 53421 1 171 . 1 . 1 50 50 ALA CA C 13 50.45 0.08 . 1 . . . . . 24 ALA CA . 53421 1 172 . 1 . 1 50 50 ALA CB C 13 24.21 0.08 . 1 . . . . . 24 ALA CB . 53421 1 173 . 1 . 1 50 50 ALA N N 15 127.01 0.08 . 1 . . . . . 24 ALA N . 53421 1 174 . 1 . 1 51 51 SER H H 1 8.98 0.08 . 1 . . . . . 25 SER H . 53421 1 175 . 1 . 1 51 51 SER C C 13 174.29 0.08 . 1 . . . . . 25 SER C . 53421 1 176 . 1 . 1 51 51 SER CA C 13 57.77 0.08 . 1 . . . . . 25 SER CA . 53421 1 177 . 1 . 1 51 51 SER CB C 13 65.7 0.08 . 1 . . . . . 25 SER CB . 53421 1 178 . 1 . 1 51 51 SER N N 15 114.44 0.08 . 1 . . . . . 25 SER N . 53421 1 179 . 1 . 1 52 52 GLY H H 1 8.76 0.08 . 1 . . . . . 26 GLY H . 53421 1 180 . 1 . 1 52 52 GLY CA C 13 45.9 0.08 . 1 . . . . . 26 GLY CA . 53421 1 181 . 1 . 1 52 52 GLY N N 15 108.27 0.08 . 1 . . . . . 26 GLY N . 53421 1 182 . 1 . 1 56 56 SER C C 13 173.33 0.08 . 1 . . . . . 30 SER C . 53421 1 183 . 1 . 1 56 56 SER CA C 13 60.01 0.08 . 1 . . . . . 30 SER CA . 53421 1 184 . 1 . 1 57 57 SER H H 1 7.93 0.08 . 1 . . . . . 31 SER H . 53421 1 185 . 1 . 1 57 57 SER C C 13 173.72 0.08 . 1 . . . . . 31 SER C . 53421 1 186 . 1 . 1 57 57 SER CA C 13 58.66 0.08 . 1 . . . . . 31 SER CA . 53421 1 187 . 1 . 1 57 57 SER CB C 13 64.54 0.08 . 1 . . . . . 31 SER CB . 53421 1 188 . 1 . 1 57 57 SER N N 15 114.00 0.08 . 1 . . . . . 31 SER N . 53421 1 189 . 1 . 1 58 58 TYR H H 1 7.83 0.08 . 1 . . . . . 32 TYR H . 53421 1 190 . 1 . 1 58 58 TYR C C 13 176.3 0.08 . 1 . . . . . 32 TYR C . 53421 1 191 . 1 . 1 58 58 TYR CA C 13 58.64 0.08 . 1 . . . . . 32 TYR CA . 53421 1 192 . 1 . 1 58 58 TYR CB C 13 41.68 0.08 . 1 . . . . . 32 TYR CB . 53421 1 193 . 1 . 1 58 58 TYR N N 15 117.32 0.08 . 1 . . . . . 32 TYR N . 53421 1 194 . 1 . 1 59 59 THR H H 1 9.24 0.08 . 1 . . . . . 33 THR H . 53421 1 195 . 1 . 1 59 59 THR HG21 H 1 0.73 0.08 . 1 . . . . . 33 THR MG . 53421 1 196 . 1 . 1 59 59 THR HG22 H 1 0.73 0.08 . 1 . . . . . 33 THR MG . 53421 1 197 . 1 . 1 59 59 THR HG23 H 1 0.73 0.08 . 1 . . . . . 33 THR MG . 53421 1 198 . 1 . 1 59 59 THR C C 13 172.23 0.08 . 1 . . . . . 33 THR C . 53421 1 199 . 1 . 1 59 59 THR CA C 13 63.66 0.08 . 1 . . . . . 33 THR CA . 53421 1 200 . 1 . 1 59 59 THR CG2 C 13 22.97 0.08 . 1 . . . . . 33 THR CG2 . 53421 1 201 . 1 . 1 59 59 THR N N 15 123.73 0.08 . 1 . . . . . 33 THR N . 53421 1 202 . 1 . 1 60 60 MET H H 1 7.78 0.08 . 1 . . . . . 34 MET H . 53421 1 203 . 1 . 1 60 60 MET HE1 H 1 1.89 0.08 . 1 . . . . . 34 MET ME . 53421 1 204 . 1 . 1 60 60 MET HE2 H 1 1.89 0.08 . 1 . . . . . 34 MET ME . 53421 1 205 . 1 . 1 60 60 MET HE3 H 1 1.89 0.08 . 1 . . . . . 34 MET ME . 53421 1 206 . 1 . 1 60 60 MET CA C 13 51.89 0.08 . 1 . . . . . 34 MET CA . 53421 1 207 . 1 . 1 60 60 MET CE C 13 15.91 0.08 . 1 . . . . . 34 MET CE . 53421 1 208 . 1 . 1 60 60 MET N N 15 122.05 0.08 . 1 . . . . . 34 MET N . 53421 1 209 . 1 . 1 63 63 VAL HG11 H 1 0.81 0.08 . 1 . . . . . 37 VAL MG1 . 53421 1 210 . 1 . 1 63 63 VAL HG12 H 1 0.81 0.08 . 1 . . . . . 37 VAL MG1 . 53421 1 211 . 1 . 1 63 63 VAL HG13 H 1 0.81 0.08 . 1 . . . . . 37 VAL MG1 . 53421 1 212 . 1 . 1 63 63 VAL HG21 H 1 0.48 0.08 . 1 . . . . . 37 VAL MG2 . 53421 1 213 . 1 . 1 63 63 VAL HG22 H 1 0.48 0.08 . 1 . . . . . 37 VAL MG2 . 53421 1 214 . 1 . 1 63 63 VAL HG23 H 1 0.48 0.08 . 1 . . . . . 37 VAL MG2 . 53421 1 215 . 1 . 1 63 63 VAL CG1 C 13 22.17 0.08 . 1 . . . . . 37 VAL CG1 . 53421 1 216 . 1 . 1 63 63 VAL CG2 C 13 21.63 0.08 . 1 . . . . . 37 VAL CG2 . 53421 1 217 . 1 . 1 66 66 ALA HB1 H 1 1.46 0.08 . 1 . . . . . 40 ALA MB . 53421 1 218 . 1 . 1 66 66 ALA HB2 H 1 1.46 0.08 . 1 . . . . . 40 ALA MB . 53421 1 219 . 1 . 1 66 66 ALA HB3 H 1 1.46 0.08 . 1 . . . . . 40 ALA MB . 53421 1 220 . 1 . 1 66 66 ALA CB C 13 18.13 0.08 . 1 . . . . . 40 ALA CB . 53421 1 221 . 1 . 1 68 68 GLY C C 13 174.42 0.08 . 1 . . . . . 42 GLY C . 53421 1 222 . 1 . 1 68 68 GLY CA C 13 45.95 0.08 . 1 . . . . . 42 GLY CA . 53421 1 223 . 1 . 1 69 69 LYS H H 1 8.31 0.08 . 1 . . . . . 43 LYS H . 53421 1 224 . 1 . 1 69 69 LYS C C 13 176.33 0.08 . 1 . . . . . 43 LYS C . 53421 1 225 . 1 . 1 69 69 LYS CA C 13 54.82 0.08 . 1 . . . . . 43 LYS CA . 53421 1 226 . 1 . 1 69 69 LYS CB C 13 34.44 0.08 . 1 . . . . . 43 LYS CB . 53421 1 227 . 1 . 1 69 69 LYS N N 15 120.81 0.08 . 1 . . . . . 43 LYS N . 53421 1 228 . 1 . 1 70 70 GLY H H 1 8.3 0.08 . 1 . . . . . 44 GLY H . 53421 1 229 . 1 . 1 70 70 GLY C C 13 173.18 0.08 . 1 . . . . . 44 GLY C . 53421 1 230 . 1 . 1 70 70 GLY CA C 13 44.88 0.08 . 1 . . . . . 44 GLY CA . 53421 1 231 . 1 . 1 70 70 GLY N N 15 106.61 0.08 . 1 . . . . . 44 GLY N . 53421 1 232 . 1 . 1 71 71 LEU H H 1 6.73 0.08 . 1 . . . . . 45 LEU H . 53421 1 233 . 1 . 1 71 71 LEU HD11 H 1 -0.61 0.08 . 1 . . . . . 45 LEU MD1 . 53421 1 234 . 1 . 1 71 71 LEU HD12 H 1 -0.61 0.08 . 1 . . . . . 45 LEU MD1 . 53421 1 235 . 1 . 1 71 71 LEU HD13 H 1 -0.61 0.08 . 1 . . . . . 45 LEU MD1 . 53421 1 236 . 1 . 1 71 71 LEU HD21 H 1 0.06 0.08 . 1 . . . . . 45 LEU MD2 . 53421 1 237 . 1 . 1 71 71 LEU HD22 H 1 0.06 0.08 . 1 . . . . . 45 LEU MD2 . 53421 1 238 . 1 . 1 71 71 LEU HD23 H 1 0.06 0.08 . 1 . . . . . 45 LEU MD2 . 53421 1 239 . 1 . 1 71 71 LEU C C 13 176.11 0.08 . 1 . . . . . 45 LEU C . 53421 1 240 . 1 . 1 71 71 LEU CA C 13 54.61 0.08 . 1 . . . . . 45 LEU CA . 53421 1 241 . 1 . 1 71 71 LEU CD1 C 13 25.18 0.08 . 1 . . . . . 45 LEU CD1 . 53421 1 242 . 1 . 1 71 71 LEU CD2 C 13 23.48 0.08 . 1 . . . . . 45 LEU CD2 . 53421 1 243 . 1 . 1 71 71 LEU N N 15 119.04 0.08 . 1 . . . . . 45 LEU N . 53421 1 244 . 1 . 1 72 72 GLU H H 1 9.18 0.08 . 1 . . . . . 46 GLU H . 53421 1 245 . 1 . 1 72 72 GLU C C 13 175.29 0.08 . 1 . . . . . 46 GLU C . 53421 1 246 . 1 . 1 72 72 GLU CA C 13 54.92 0.08 . 1 . . . . . 46 GLU CA . 53421 1 247 . 1 . 1 72 72 GLU N N 15 120.81 0.08 . 1 . . . . . 46 GLU N . 53421 1 248 . 1 . 1 74 74 VAL HG11 H 1 0.99 0.08 . 1 . . . . . 48 VAL MG1 . 53421 1 249 . 1 . 1 74 74 VAL HG12 H 1 0.99 0.08 . 1 . . . . . 48 VAL MG1 . 53421 1 250 . 1 . 1 74 74 VAL HG13 H 1 0.99 0.08 . 1 . . . . . 48 VAL MG1 . 53421 1 251 . 1 . 1 74 74 VAL HG21 H 1 0.94 0.08 . 1 . . . . . 48 VAL MG2 . 53421 1 252 . 1 . 1 74 74 VAL HG22 H 1 0.94 0.08 . 1 . . . . . 48 VAL MG2 . 53421 1 253 . 1 . 1 74 74 VAL HG23 H 1 0.94 0.08 . 1 . . . . . 48 VAL MG2 . 53421 1 254 . 1 . 1 74 74 VAL CG1 C 13 23.53 0.08 . 1 . . . . . 48 VAL CG1 . 53421 1 255 . 1 . 1 74 74 VAL CG2 C 13 21.44 0.08 . 1 . . . . . 48 VAL CG2 . 53421 1 256 . 1 . 1 77 77 ILE HG21 H 1 0.94 0.08 . 1 . . . . . 51 ILE MG . 53421 1 257 . 1 . 1 77 77 ILE HG22 H 1 0.94 0.08 . 1 . . . . . 51 ILE MG . 53421 1 258 . 1 . 1 77 77 ILE HG23 H 1 0.94 0.08 . 1 . . . . . 51 ILE MG . 53421 1 259 . 1 . 1 77 77 ILE HD11 H 1 0.94 0.08 . 1 . . . . . 51 ILE MD . 53421 1 260 . 1 . 1 77 77 ILE HD12 H 1 0.94 0.08 . 1 . . . . . 51 ILE MD . 53421 1 261 . 1 . 1 77 77 ILE HD13 H 1 0.94 0.08 . 1 . . . . . 51 ILE MD . 53421 1 262 . 1 . 1 77 77 ILE CG2 C 13 15.94 0.08 . 1 . . . . . 51 ILE CG2 . 53421 1 263 . 1 . 1 77 77 ILE CD1 C 13 15.27 0.08 . 1 . . . . . 51 ILE CD1 . 53421 1 264 . 1 . 1 86 86 TYR C C 13 174.21 0.08 . 1 . . . . . 60 TYR C . 53421 1 265 . 1 . 1 86 86 TYR CA C 13 57.09 0.08 . 1 . . . . . 60 TYR CA . 53421 1 266 . 1 . 1 87 87 ALA H H 1 8.4 0.08 . 1 . . . . . 61 ALA H . 53421 1 267 . 1 . 1 87 87 ALA HB1 H 1 1.67 0.08 . 1 . . . . . 61 ALA MB . 53421 1 268 . 1 . 1 87 87 ALA HB2 H 1 1.67 0.08 . 1 . . . . . 61 ALA MB . 53421 1 269 . 1 . 1 87 87 ALA HB3 H 1 1.67 0.08 . 1 . . . . . 61 ALA MB . 53421 1 270 . 1 . 1 87 87 ALA C C 13 178.85 0.08 . 1 . . . . . 61 ALA C . 53421 1 271 . 1 . 1 87 87 ALA CA C 13 52.3 0.08 . 1 . . . . . 61 ALA CA . 53421 1 272 . 1 . 1 87 87 ALA CB C 13 19.19 0.08 . 1 . . . . . 61 ALA CB . 53421 1 273 . 1 . 1 87 87 ALA N N 15 125.51 0.08 . 1 . . . . . 61 ALA N . 53421 1 274 . 1 . 1 88 88 ASP H H 1 9.25 0.08 . 1 . . . . . 62 ASP H . 53421 1 275 . 1 . 1 88 88 ASP C C 13 177.99 0.08 . 1 . . . . . 62 ASP C . 53421 1 276 . 1 . 1 88 88 ASP CA C 13 58.18 0.08 . 1 . . . . . 62 ASP CA . 53421 1 277 . 1 . 1 88 88 ASP N N 15 123.11 0.08 . 1 . . . . . 62 ASP N . 53421 1 278 . 1 . 1 89 89 SER H H 1 8.32 0.08 . 1 . . . . . 63 SER H . 53421 1 279 . 1 . 1 89 89 SER C C 13 175.82 0.08 . 1 . . . . . 63 SER C . 53421 1 280 . 1 . 1 89 89 SER CA C 13 60.00 0.08 . 1 . . . . . 63 SER CA . 53421 1 281 . 1 . 1 89 89 SER CB C 13 62.8 0.08 . 1 . . . . . 63 SER CB . 53421 1 282 . 1 . 1 89 89 SER N N 15 110.82 0.08 . 1 . . . . . 63 SER N . 53421 1 283 . 1 . 1 90 90 VAL H H 1 7.39 0.08 . 1 . . . . . 64 VAL H . 53421 1 284 . 1 . 1 90 90 VAL HG11 H 1 0.21 0.08 . 1 . . . . . 64 VAL MG1 . 53421 1 285 . 1 . 1 90 90 VAL HG12 H 1 0.21 0.08 . 1 . . . . . 64 VAL MG1 . 53421 1 286 . 1 . 1 90 90 VAL HG13 H 1 0.21 0.08 . 1 . . . . . 64 VAL MG1 . 53421 1 287 . 1 . 1 90 90 VAL HG21 H 1 0.79 0.08 . 1 . . . . . 64 VAL MG2 . 53421 1 288 . 1 . 1 90 90 VAL HG22 H 1 0.79 0.08 . 1 . . . . . 64 VAL MG2 . 53421 1 289 . 1 . 1 90 90 VAL HG23 H 1 0.79 0.08 . 1 . . . . . 64 VAL MG2 . 53421 1 290 . 1 . 1 90 90 VAL C C 13 175.22 0.08 . 1 . . . . . 64 VAL C . 53421 1 291 . 1 . 1 90 90 VAL CA C 13 60.26 0.08 . 1 . . . . . 64 VAL CA . 53421 1 292 . 1 . 1 90 90 VAL CB C 13 31.72 0.08 . 1 . . . . . 64 VAL CB . 53421 1 293 . 1 . 1 90 90 VAL CG1 C 13 20.54 0.08 . 1 . . . . . 64 VAL CG1 . 53421 1 294 . 1 . 1 90 90 VAL CG2 C 13 18.94 0.08 . 1 . . . . . 64 VAL CG2 . 53421 1 295 . 1 . 1 90 90 VAL N N 15 111.39 0.08 . 1 . . . . . 64 VAL N . 53421 1 296 . 1 . 1 91 91 LYS H H 1 7.49 0.08 . 1 . . . . . 65 LYS H . 53421 1 297 . 1 . 1 91 91 LYS C C 13 177.17 0.08 . 1 . . . . . 65 LYS C . 53421 1 298 . 1 . 1 91 91 LYS CA C 13 58.48 0.08 . 1 . . . . . 65 LYS CA . 53421 1 299 . 1 . 1 91 91 LYS CB C 13 32.51 0.08 . 1 . . . . . 65 LYS CB . 53421 1 300 . 1 . 1 91 91 LYS N N 15 125.81 0.08 . 1 . . . . . 65 LYS N . 53421 1 301 . 1 . 1 92 92 GLY H H 1 9.16 0.08 . 1 . . . . . 66 GLY H . 53421 1 302 . 1 . 1 92 92 GLY C C 13 173.94 0.08 . 1 . . . . . 66 GLY C . 53421 1 303 . 1 . 1 92 92 GLY CA C 13 45.37 0.08 . 1 . . . . . 66 GLY CA . 53421 1 304 . 1 . 1 92 92 GLY N N 15 116.06 0.08 . 1 . . . . . 66 GLY N . 53421 1 305 . 1 . 1 93 93 ARG H H 1 7.8 0.08 . 1 . . . . . 67 ARG H . 53421 1 306 . 1 . 1 93 93 ARG C C 13 175.49 0.08 . 1 . . . . . 67 ARG C . 53421 1 307 . 1 . 1 93 93 ARG CA C 13 57.22 0.08 . 1 . . . . . 67 ARG CA . 53421 1 308 . 1 . 1 93 93 ARG CB C 13 30.97 0.08 . 1 . . . . . 67 ARG CB . 53421 1 309 . 1 . 1 93 93 ARG N N 15 117.26 0.08 . 1 . . . . . 67 ARG N . 53421 1 310 . 1 . 1 94 94 PHE H H 1 7.57 0.08 . 1 . . . . . 68 PHE H . 53421 1 311 . 1 . 1 94 94 PHE C C 13 174.82 0.08 . 1 . . . . . 68 PHE C . 53421 1 312 . 1 . 1 94 94 PHE CA C 13 52.69 0.08 . 1 . . . . . 68 PHE CA . 53421 1 313 . 1 . 1 94 94 PHE CB C 13 39.42 0.08 . 1 . . . . . 68 PHE CB . 53421 1 314 . 1 . 1 94 94 PHE N N 15 119.69 0.08 . 1 . . . . . 68 PHE N . 53421 1 315 . 1 . 1 95 95 THR H H 1 9.1 0.08 . 1 . . . . . 69 THR H . 53421 1 316 . 1 . 1 95 95 THR C C 13 173.93 0.08 . 1 . . . . . 69 THR C . 53421 1 317 . 1 . 1 95 95 THR CA C 13 61.23 0.08 . 1 . . . . . 69 THR CA . 53421 1 318 . 1 . 1 95 95 THR CB C 13 71.99 0.08 . 1 . . . . . 69 THR CB . 53421 1 319 . 1 . 1 95 95 THR N N 15 112.63 0.08 . 1 . . . . . 69 THR N . 53421 1 320 . 1 . 1 96 96 ILE H H 1 9.17 0.08 . 1 . . . . . 70 ILE H . 53421 1 321 . 1 . 1 96 96 ILE HG21 H 1 0.91 0.08 . 1 . . . . . 70 ILE MG . 53421 1 322 . 1 . 1 96 96 ILE HG22 H 1 0.91 0.08 . 1 . . . . . 70 ILE MG . 53421 1 323 . 1 . 1 96 96 ILE HG23 H 1 0.91 0.08 . 1 . . . . . 70 ILE MG . 53421 1 324 . 1 . 1 96 96 ILE HD11 H 1 1.07 0.08 . 1 . . . . . 70 ILE MD . 53421 1 325 . 1 . 1 96 96 ILE HD12 H 1 1.07 0.08 . 1 . . . . . 70 ILE MD . 53421 1 326 . 1 . 1 96 96 ILE HD13 H 1 1.07 0.08 . 1 . . . . . 70 ILE MD . 53421 1 327 . 1 . 1 96 96 ILE C C 13 172.12 0.08 . 1 . . . . . 70 ILE C . 53421 1 328 . 1 . 1 96 96 ILE CA C 13 59.23 0.08 . 1 . . . . . 70 ILE CA . 53421 1 329 . 1 . 1 96 96 ILE CB C 13 41.52 0.08 . 1 . . . . . 70 ILE CB . 53421 1 330 . 1 . 1 96 96 ILE CG2 C 13 15.13 0.08 . 1 . . . . . 70 ILE CG2 . 53421 1 331 . 1 . 1 96 96 ILE CD1 C 13 15.08 0.08 . 1 . . . . . 70 ILE CD1 . 53421 1 332 . 1 . 1 96 96 ILE N N 15 131.68 0.08 . 1 . . . . . 70 ILE N . 53421 1 333 . 1 . 1 97 97 SER H H 1 8.4 0.08 . 1 . . . . . 71 SER H . 53421 1 334 . 1 . 1 97 97 SER C C 13 172.04 0.08 . 1 . . . . . 71 SER C . 53421 1 335 . 1 . 1 97 97 SER CA C 13 58.12 0.08 . 1 . . . . . 71 SER CA . 53421 1 336 . 1 . 1 97 97 SER CB C 13 65.51 0.08 . 1 . . . . . 71 SER CB . 53421 1 337 . 1 . 1 97 97 SER N N 15 117.69 0.08 . 1 . . . . . 71 SER N . 53421 1 338 . 1 . 1 98 98 ARG H H 1 9.37 0.08 . 1 . . . . . 72 ARG H . 53421 1 339 . 1 . 1 98 98 ARG C C 13 172.56 0.08 . 1 . . . . . 72 ARG C . 53421 1 340 . 1 . 1 98 98 ARG CA C 13 54.51 0.08 . 1 . . . . . 72 ARG CA . 53421 1 341 . 1 . 1 98 98 ARG CB C 13 35.45 0.08 . 1 . . . . . 72 ARG CB . 53421 1 342 . 1 . 1 98 98 ARG N N 15 116.38 0.08 . 1 . . . . . 72 ARG N . 53421 1 343 . 1 . 1 99 99 ASP H H 1 9.33 0.08 . 1 . . . . . 73 ASP H . 53421 1 344 . 1 . 1 99 99 ASP CA C 13 52.17 0.08 . 1 . . . . . 73 ASP CA . 53421 1 345 . 1 . 1 99 99 ASP N N 15 120.67 0.08 . 1 . . . . . 73 ASP N . 53421 1 346 . 1 . 1 105 105 LEU HD11 H 1 1.12 0.08 . 1 . . . . . 79 LEU MD1 . 53421 1 347 . 1 . 1 105 105 LEU HD12 H 1 1.12 0.08 . 1 . . . . . 79 LEU MD1 . 53421 1 348 . 1 . 1 105 105 LEU HD13 H 1 1.12 0.08 . 1 . . . . . 79 LEU MD1 . 53421 1 349 . 1 . 1 105 105 LEU HD21 H 1 0.38 0.08 . 1 . . . . . 79 LEU MD2 . 53421 1 350 . 1 . 1 105 105 LEU HD22 H 1 0.38 0.08 . 1 . . . . . 79 LEU MD2 . 53421 1 351 . 1 . 1 105 105 LEU HD23 H 1 0.38 0.08 . 1 . . . . . 79 LEU MD2 . 53421 1 352 . 1 . 1 105 105 LEU CD1 C 13 25.44 0.08 . 1 . . . . . 79 LEU CD1 . 53421 1 353 . 1 . 1 105 105 LEU CD2 C 13 26.84 0.08 . 1 . . . . . 79 LEU CD2 . 53421 1 354 . 1 . 1 107 107 LEU HD11 H 1 0.66 0.08 . 1 . . . . . 81 LEU MD1 . 53421 1 355 . 1 . 1 107 107 LEU HD12 H 1 0.66 0.08 . 1 . . . . . 81 LEU MD1 . 53421 1 356 . 1 . 1 107 107 LEU HD13 H 1 0.66 0.08 . 1 . . . . . 81 LEU MD1 . 53421 1 357 . 1 . 1 107 107 LEU HD21 H 1 -0.07 0.08 . 1 . . . . . 81 LEU MD2 . 53421 1 358 . 1 . 1 107 107 LEU HD22 H 1 -0.07 0.08 . 1 . . . . . 81 LEU MD2 . 53421 1 359 . 1 . 1 107 107 LEU HD23 H 1 -0.07 0.08 . 1 . . . . . 81 LEU MD2 . 53421 1 360 . 1 . 1 107 107 LEU CD1 C 13 23.27 0.08 . 1 . . . . . 81 LEU CD1 . 53421 1 361 . 1 . 1 107 107 LEU CD2 C 13 24.83 0.08 . 1 . . . . . 81 LEU CD2 . 53421 1 362 . 1 . 1 109 109 MET HE1 H 1 1.05 0.08 . 1 . . . . . 83 MET ME . 53421 1 363 . 1 . 1 109 109 MET HE2 H 1 1.05 0.08 . 1 . . . . . 83 MET ME . 53421 1 364 . 1 . 1 109 109 MET HE3 H 1 1.05 0.08 . 1 . . . . . 83 MET ME . 53421 1 365 . 1 . 1 109 109 MET CE C 13 17.89 0.08 . 1 . . . . . 83 MET CE . 53421 1 366 . 1 . 1 111 111 SER C C 13 175.64 0.08 . 1 . . . . . 85 SER C . 53421 1 367 . 1 . 1 111 111 SER CA C 13 57.54 0.08 . 1 . . . . . 85 SER CA . 53421 1 368 . 1 . 1 112 112 LEU H H 1 8.01 0.08 . 1 . . . . . 86 LEU H . 53421 1 369 . 1 . 1 112 112 LEU HD11 H 1 0.58 0.08 . 1 . . . . . 86 LEU MD1 . 53421 1 370 . 1 . 1 112 112 LEU HD12 H 1 0.58 0.08 . 1 . . . . . 86 LEU MD1 . 53421 1 371 . 1 . 1 112 112 LEU HD13 H 1 0.58 0.08 . 1 . . . . . 86 LEU MD1 . 53421 1 372 . 1 . 1 112 112 LEU HD21 H 1 0.89 0.08 . 1 . . . . . 86 LEU MD2 . 53421 1 373 . 1 . 1 112 112 LEU HD22 H 1 0.89 0.08 . 1 . . . . . 86 LEU MD2 . 53421 1 374 . 1 . 1 112 112 LEU HD23 H 1 0.89 0.08 . 1 . . . . . 86 LEU MD2 . 53421 1 375 . 1 . 1 112 112 LEU C C 13 177.16 0.08 . 1 . . . . . 86 LEU C . 53421 1 376 . 1 . 1 112 112 LEU CA C 13 56.73 0.08 . 1 . . . . . 86 LEU CA . 53421 1 377 . 1 . 1 112 112 LEU CB C 13 43.16 0.08 . 1 . . . . . 86 LEU CB . 53421 1 378 . 1 . 1 112 112 LEU CD1 C 13 26.89 0.08 . 1 . . . . . 86 LEU CD1 . 53421 1 379 . 1 . 1 112 112 LEU CD2 C 13 24.51 0.08 . 1 . . . . . 86 LEU CD2 . 53421 1 380 . 1 . 1 112 112 LEU N N 15 119.06 0.08 . 1 . . . . . 86 LEU N . 53421 1 381 . 1 . 1 113 113 ARG H H 1 9.62 0.08 . 1 . . . . . 87 ARG H . 53421 1 382 . 1 . 1 113 113 ARG C C 13 176.69 0.08 . 1 . . . . . 87 ARG C . 53421 1 383 . 1 . 1 113 113 ARG CA C 13 53.82 0.08 . 1 . . . . . 87 ARG CA . 53421 1 384 . 1 . 1 113 113 ARG CB C 13 34.31 0.08 . 1 . . . . . 87 ARG CB . 53421 1 385 . 1 . 1 113 113 ARG N N 15 120.88 0.08 . 1 . . . . . 87 ARG N . 53421 1 386 . 1 . 1 114 114 ALA H H 1 9.18 0.08 . 1 . . . . . 88 ALA H . 53421 1 387 . 1 . 1 114 114 ALA HB1 H 1 1.47 0.08 . 1 . . . . . 88 ALA MB . 53421 1 388 . 1 . 1 114 114 ALA HB2 H 1 1.47 0.08 . 1 . . . . . 88 ALA MB . 53421 1 389 . 1 . 1 114 114 ALA HB3 H 1 1.47 0.08 . 1 . . . . . 88 ALA MB . 53421 1 390 . 1 . 1 114 114 ALA C C 13 180.38 0.08 . 1 . . . . . 88 ALA C . 53421 1 391 . 1 . 1 114 114 ALA CA C 13 56.12 0.08 . 1 . . . . . 88 ALA CA . 53421 1 392 . 1 . 1 114 114 ALA CB C 13 18.27 0.08 . 1 . . . . . 88 ALA CB . 53421 1 393 . 1 . 1 114 114 ALA N N 15 125.52 0.08 . 1 . . . . . 88 ALA N . 53421 1 394 . 1 . 1 115 115 GLU H H 1 9.51 0.08 . 1 . . . . . 89 GLU H . 53421 1 395 . 1 . 1 115 115 GLU C C 13 176.01 0.08 . 1 . . . . . 89 GLU C . 53421 1 396 . 1 . 1 115 115 GLU CA C 13 58.71 0.08 . 1 . . . . . 89 GLU CA . 53421 1 397 . 1 . 1 115 115 GLU CB C 13 28.42 0.08 . 1 . . . . . 89 GLU CB . 53421 1 398 . 1 . 1 115 115 GLU N N 15 115.06 0.08 . 1 . . . . . 89 GLU N . 53421 1 399 . 1 . 1 116 116 ASP H H 1 8.6 0.08 . 1 . . . . . 90 ASP H . 53421 1 400 . 1 . 1 116 116 ASP C C 13 176.84 0.08 . 1 . . . . . 90 ASP C . 53421 1 401 . 1 . 1 116 116 ASP CA C 13 55.07 0.08 . 1 . . . . . 90 ASP CA . 53421 1 402 . 1 . 1 116 116 ASP N N 15 118.21 0.08 . 1 . . . . . 90 ASP N . 53421 1 403 . 1 . 1 117 117 THR H H 1 7.95 0.08 . 1 . . . . . 91 THR H . 53421 1 404 . 1 . 1 117 117 THR HG21 H 1 1.5 0.08 . 1 . . . . . 91 THR MG . 53421 1 405 . 1 . 1 117 117 THR HG22 H 1 1.5 0.08 . 1 . . . . . 91 THR MG . 53421 1 406 . 1 . 1 117 117 THR HG23 H 1 1.5 0.08 . 1 . . . . . 91 THR MG . 53421 1 407 . 1 . 1 117 117 THR C C 13 174.47 0.08 . 1 . . . . . 91 THR C . 53421 1 408 . 1 . 1 117 117 THR CA C 13 64.58 0.08 . 1 . . . . . 91 THR CA . 53421 1 409 . 1 . 1 117 117 THR CB C 13 69.84 0.08 . 1 . . . . . 91 THR CB . 53421 1 410 . 1 . 1 117 117 THR CG2 C 13 21.43 0.08 . 1 . . . . . 91 THR CG2 . 53421 1 411 . 1 . 1 117 117 THR N N 15 120.51 0.08 . 1 . . . . . 91 THR N . 53421 1 412 . 1 . 1 118 118 ALA H H 1 9.36 0.08 . 1 . . . . . 92 ALA H . 53421 1 413 . 1 . 1 118 118 ALA HB1 H 1 1.05 0.08 . 1 . . . . . 92 ALA MB . 53421 1 414 . 1 . 1 118 118 ALA HB2 H 1 1.05 0.08 . 1 . . . . . 92 ALA MB . 53421 1 415 . 1 . 1 118 118 ALA HB3 H 1 1.05 0.08 . 1 . . . . . 92 ALA MB . 53421 1 416 . 1 . 1 118 118 ALA C C 13 175.65 0.08 . 1 . . . . . 92 ALA C . 53421 1 417 . 1 . 1 118 118 ALA CA C 13 52.7 0.08 . 1 . . . . . 92 ALA CA . 53421 1 418 . 1 . 1 118 118 ALA CB C 13 21.32 0.08 . 1 . . . . . 92 ALA CB . 53421 1 419 . 1 . 1 118 118 ALA N N 15 128.05 0.08 . 1 . . . . . 92 ALA N . 53421 1 420 . 1 . 1 119 119 ILE H H 1 8.17 0.08 . 1 . . . . . 93 ILE H . 53421 1 421 . 1 . 1 119 119 ILE HG21 H 1 0.19 0.08 . 1 . . . . . 93 ILE MG . 53421 1 422 . 1 . 1 119 119 ILE HG22 H 1 0.19 0.08 . 1 . . . . . 93 ILE MG . 53421 1 423 . 1 . 1 119 119 ILE HG23 H 1 0.19 0.08 . 1 . . . . . 93 ILE MG . 53421 1 424 . 1 . 1 119 119 ILE HD11 H 1 0.83 0.08 . 1 . . . . . 93 ILE MD . 53421 1 425 . 1 . 1 119 119 ILE HD12 H 1 0.83 0.08 . 1 . . . . . 93 ILE MD . 53421 1 426 . 1 . 1 119 119 ILE HD13 H 1 0.83 0.08 . 1 . . . . . 93 ILE MD . 53421 1 427 . 1 . 1 119 119 ILE C C 13 175.26 0.08 . 1 . . . . . 93 ILE C . 53421 1 428 . 1 . 1 119 119 ILE CA C 13 61.68 0.08 . 1 . . . . . 93 ILE CA . 53421 1 429 . 1 . 1 119 119 ILE CB C 13 38.99 0.08 . 1 . . . . . 93 ILE CB . 53421 1 430 . 1 . 1 119 119 ILE CG2 C 13 17.62 0.08 . 1 . . . . . 93 ILE CG2 . 53421 1 431 . 1 . 1 119 119 ILE CD1 C 13 13.68 0.08 . 1 . . . . . 93 ILE CD1 . 53421 1 432 . 1 . 1 119 119 ILE N N 15 119.11 0.08 . 1 . . . . . 93 ILE N . 53421 1 433 . 1 . 1 123 123 ALA H H 1 8.33 0.08 . 1 . . . . . 97 ALA H . 53421 1 434 . 1 . 1 123 123 ALA HB1 H 1 -0.03 0.08 . 1 . . . . . 97 ALA MB . 53421 1 435 . 1 . 1 123 123 ALA HB2 H 1 -0.03 0.08 . 1 . . . . . 97 ALA MB . 53421 1 436 . 1 . 1 123 123 ALA HB3 H 1 -0.03 0.08 . 1 . . . . . 97 ALA MB . 53421 1 437 . 1 . 1 123 123 ALA C C 13 174.09 0.08 . 1 . . . . . 97 ALA C . 53421 1 438 . 1 . 1 123 123 ALA CA C 13 51.2 0.08 . 1 . . . . . 97 ALA CA . 53421 1 439 . 1 . 1 123 123 ALA CB C 13 21.37 0.08 . 1 . . . . . 97 ALA CB . 53421 1 440 . 1 . 1 123 123 ALA N N 15 122.36 0.08 . 1 . . . . . 97 ALA N . 53421 1 441 . 1 . 1 124 124 ARG H H 1 8.1 0.08 . 1 . . . . . 98 ARG H . 53421 1 442 . 1 . 1 124 124 ARG C C 13 174.6 0.08 . 1 . . . . . 98 ARG C . 53421 1 443 . 1 . 1 124 124 ARG CA C 13 54.08 0.08 . 1 . . . . . 98 ARG CA . 53421 1 444 . 1 . 1 124 124 ARG N N 15 121.05 0.08 . 1 . . . . . 98 ARG N . 53421 1 445 . 1 . 1 125 125 THR H H 1 8.1 0.08 . 1 . . . . . 99 THR H . 53421 1 446 . 1 . 1 125 125 THR C C 13 174.96 0.08 . 1 . . . . . 99 THR C . 53421 1 447 . 1 . 1 125 125 THR CA C 13 61.05 0.08 . 1 . . . . . 99 THR CA . 53421 1 448 . 1 . 1 125 125 THR N N 15 111.51 0.08 . 1 . . . . . 99 THR N . 53421 1 449 . 1 . 1 126 126 GLY H H 1 8.74 0.08 . 1 . . . . . 100 GLY H . 53421 1 450 . 1 . 1 126 126 GLY CA C 13 44.66 0.08 . 1 . . . . . 100 GLY CA . 53421 1 451 . 1 . 1 126 126 GLY N N 15 111.07 0.08 . 1 . . . . . 100 GLY N . 53421 1 452 . 1 . 1 128 128 LEU HD11 H 1 0.49 0.08 . 1 . . . . . 102 LEU MD1 . 53421 1 453 . 1 . 1 128 128 LEU HD12 H 1 0.49 0.08 . 1 . . . . . 102 LEU MD1 . 53421 1 454 . 1 . 1 128 128 LEU HD13 H 1 0.49 0.08 . 1 . . . . . 102 LEU MD1 . 53421 1 455 . 1 . 1 128 128 LEU HD21 H 1 0.43 0.08 . 1 . . . . . 102 LEU MD2 . 53421 1 456 . 1 . 1 128 128 LEU HD22 H 1 0.43 0.08 . 1 . . . . . 102 LEU MD2 . 53421 1 457 . 1 . 1 128 128 LEU HD23 H 1 0.43 0.08 . 1 . . . . . 102 LEU MD2 . 53421 1 458 . 1 . 1 128 128 LEU CD1 C 13 24.6 0.08 . 1 . . . . . 102 LEU CD1 . 53421 1 459 . 1 . 1 128 128 LEU CD2 C 13 22.97 0.08 . 1 . . . . . 102 LEU CD2 . 53421 1 460 . 1 . 1 138 138 THR HG21 H 1 1.19 0.08 . 1 . . . . . 112 THR MG . 53421 1 461 . 1 . 1 138 138 THR HG22 H 1 1.19 0.08 . 1 . . . . . 112 THR MG . 53421 1 462 . 1 . 1 138 138 THR HG23 H 1 1.19 0.08 . 1 . . . . . 112 THR MG . 53421 1 463 . 1 . 1 138 138 THR C C 13 171.85 0.08 . 1 . . . . . 112 THR C . 53421 1 464 . 1 . 1 138 138 THR CA C 13 60.07 0.08 . 1 . . . . . 112 THR CA . 53421 1 465 . 1 . 1 138 138 THR CG2 C 13 20.3 0.08 . 1 . . . . . 112 THR CG2 . 53421 1 466 . 1 . 1 139 139 LEU H H 1 8.47 0.08 . 1 . . . . . 113 LEU H . 53421 1 467 . 1 . 1 139 139 LEU HD11 H 1 0.71 0.08 . 1 . . . . . 113 LEU MD1 . 53421 1 468 . 1 . 1 139 139 LEU HD12 H 1 0.71 0.08 . 1 . . . . . 113 LEU MD1 . 53421 1 469 . 1 . 1 139 139 LEU HD13 H 1 0.71 0.08 . 1 . . . . . 113 LEU MD1 . 53421 1 470 . 1 . 1 139 139 LEU HD21 H 1 0.79 0.08 . 1 . . . . . 113 LEU MD2 . 53421 1 471 . 1 . 1 139 139 LEU HD22 H 1 0.79 0.08 . 1 . . . . . 113 LEU MD2 . 53421 1 472 . 1 . 1 139 139 LEU HD23 H 1 0.79 0.08 . 1 . . . . . 113 LEU MD2 . 53421 1 473 . 1 . 1 139 139 LEU C C 13 175.86 0.08 . 1 . . . . . 113 LEU C . 53421 1 474 . 1 . 1 139 139 LEU CA C 13 55.97 0.08 . 1 . . . . . 113 LEU CA . 53421 1 475 . 1 . 1 139 139 LEU CB C 13 42.83 0.08 . 1 . . . . . 113 LEU CB . 53421 1 476 . 1 . 1 139 139 LEU CD1 C 13 22.2 0.08 . 1 . . . . . 113 LEU CD1 . 53421 1 477 . 1 . 1 139 139 LEU CD2 C 13 26.04 0.08 . 1 . . . . . 113 LEU CD2 . 53421 1 478 . 1 . 1 139 139 LEU N N 15 132.09 0.08 . 1 . . . . . 113 LEU N . 53421 1 479 . 1 . 1 140 140 VAL H H 1 9.04 0.08 . 1 . . . . . 114 VAL H . 53421 1 480 . 1 . 1 140 140 VAL HG11 H 1 0.63 0.08 . 1 . . . . . 114 VAL MG1 . 53421 1 481 . 1 . 1 140 140 VAL HG12 H 1 0.63 0.08 . 1 . . . . . 114 VAL MG1 . 53421 1 482 . 1 . 1 140 140 VAL HG13 H 1 0.63 0.08 . 1 . . . . . 114 VAL MG1 . 53421 1 483 . 1 . 1 140 140 VAL HG21 H 1 0.66 0.08 . 1 . . . . . 114 VAL MG2 . 53421 1 484 . 1 . 1 140 140 VAL HG22 H 1 0.66 0.08 . 1 . . . . . 114 VAL MG2 . 53421 1 485 . 1 . 1 140 140 VAL HG23 H 1 0.66 0.08 . 1 . . . . . 114 VAL MG2 . 53421 1 486 . 1 . 1 140 140 VAL C C 13 173.89 0.08 . 1 . . . . . 114 VAL C . 53421 1 487 . 1 . 1 140 140 VAL CA C 13 62.06 0.08 . 1 . . . . . 114 VAL CA . 53421 1 488 . 1 . 1 140 140 VAL CB C 13 33.75 0.08 . 1 . . . . . 114 VAL CB . 53421 1 489 . 1 . 1 140 140 VAL CG1 C 13 20.06 0.08 . 1 . . . . . 114 VAL CG1 . 53421 1 490 . 1 . 1 140 140 VAL CG2 C 13 22.98 0.08 . 1 . . . . . 114 VAL CG2 . 53421 1 491 . 1 . 1 140 140 VAL N N 15 129.48 0.08 . 1 . . . . . 114 VAL N . 53421 1 492 . 1 . 1 141 141 THR H H 1 8.5 0.08 . 1 . . . . . 115 THR H . 53421 1 493 . 1 . 1 141 141 THR HG21 H 1 1.14 0.08 . 1 . . . . . 115 THR MG . 53421 1 494 . 1 . 1 141 141 THR HG22 H 1 1.14 0.08 . 1 . . . . . 115 THR MG . 53421 1 495 . 1 . 1 141 141 THR HG23 H 1 1.14 0.08 . 1 . . . . . 115 THR MG . 53421 1 496 . 1 . 1 141 141 THR C C 13 172.29 0.08 . 1 . . . . . 115 THR C . 53421 1 497 . 1 . 1 141 141 THR CA C 13 61.82 0.08 . 1 . . . . . 115 THR CA . 53421 1 498 . 1 . 1 141 141 THR CB C 13 70.48 0.08 . 1 . . . . . 115 THR CB . 53421 1 499 . 1 . 1 141 141 THR CG2 C 13 21.29 0.08 . 1 . . . . . 115 THR CG2 . 53421 1 500 . 1 . 1 141 141 THR N N 15 123.42 0.08 . 1 . . . . . 115 THR N . 53421 1 501 . 1 . 1 142 142 VAL H H 1 8.64 0.08 . 1 . . . . . 116 VAL H . 53421 1 502 . 1 . 1 142 142 VAL HG11 H 1 0.47 0.08 . 1 . . . . . 116 VAL MG1 . 53421 1 503 . 1 . 1 142 142 VAL HG12 H 1 0.47 0.08 . 1 . . . . . 116 VAL MG1 . 53421 1 504 . 1 . 1 142 142 VAL HG13 H 1 0.47 0.08 . 1 . . . . . 116 VAL MG1 . 53421 1 505 . 1 . 1 142 142 VAL HG21 H 1 0.67 0.08 . 1 . . . . . 116 VAL MG2 . 53421 1 506 . 1 . 1 142 142 VAL HG22 H 1 0.67 0.08 . 1 . . . . . 116 VAL MG2 . 53421 1 507 . 1 . 1 142 142 VAL HG23 H 1 0.67 0.08 . 1 . . . . . 116 VAL MG2 . 53421 1 508 . 1 . 1 142 142 VAL C C 13 176.12 0.08 . 1 . . . . . 116 VAL C . 53421 1 509 . 1 . 1 142 142 VAL CA C 13 60.25 0.08 . 1 . . . . . 116 VAL CA . 53421 1 510 . 1 . 1 142 142 VAL CB C 13 31.44 0.08 . 1 . . . . . 116 VAL CB . 53421 1 511 . 1 . 1 142 142 VAL CG1 C 13 20.41 0.08 . 1 . . . . . 116 VAL CG1 . 53421 1 512 . 1 . 1 142 142 VAL CG2 C 13 20.84 0.08 . 1 . . . . . 116 VAL CG2 . 53421 1 513 . 1 . 1 142 142 VAL N N 15 128.53 0.08 . 1 . . . . . 116 VAL N . 53421 1 514 . 1 . 1 143 143 SER H H 1 8.61 0.08 . 1 . . . . . 117 SER H . 53421 1 515 . 1 . 1 143 143 SER C C 13 173.78 0.08 . 1 . . . . . 117 SER C . 53421 1 516 . 1 . 1 143 143 SER CA C 13 58.00 0.08 . 1 . . . . . 117 SER CA . 53421 1 517 . 1 . 1 143 143 SER CB C 13 64.37 0.08 . 1 . . . . . 117 SER CB . 53421 1 518 . 1 . 1 143 143 SER N N 15 121.54 0.08 . 1 . . . . . 117 SER N . 53421 1 519 . 1 . 1 144 144 SER H H 1 8.54 0.08 . 1 . . . . . 118 SER H . 53421 1 520 . 1 . 1 144 144 SER C C 13 175.11 0.08 . 1 . . . . . 118 SER C . 53421 1 521 . 1 . 1 144 144 SER CA C 13 58.4 0.08 . 1 . . . . . 118 SER CA . 53421 1 522 . 1 . 1 144 144 SER CB C 13 64.32 0.08 . 1 . . . . . 118 SER CB . 53421 1 523 . 1 . 1 144 144 SER N N 15 117.75 0.08 . 1 . . . . . 118 SER N . 53421 1 524 . 1 . 1 162 162 GLY C C 13 174.93 0.08 . 1 . . . . . 136 GLY C . 53421 1 525 . 1 . 1 162 162 GLY CA C 13 45.52 0.08 . 1 . . . . . 136 GLY CA . 53421 1 526 . 1 . 1 163 163 GLY H H 1 8.62 0.08 . 1 . . . . . 137 GLY H . 53421 1 527 . 1 . 1 163 163 GLY C C 13 174.56 0.08 . 1 . . . . . 137 GLY C . 53421 1 528 . 1 . 1 163 163 GLY CA C 13 45.54 0.08 . 1 . . . . . 137 GLY CA . 53421 1 529 . 1 . 1 163 163 GLY N N 15 109.49 0.08 . 1 . . . . . 137 GLY N . 53421 1 530 . 1 . 1 164 164 SER H H 1 8.47 0.08 . 1 . . . . . 138 SER H . 53421 1 531 . 1 . 1 164 164 SER C C 13 174.11 0.08 . 1 . . . . . 138 SER C . 53421 1 532 . 1 . 1 164 164 SER CA C 13 58.33 0.08 . 1 . . . . . 138 SER CA . 53421 1 533 . 1 . 1 164 164 SER CB C 13 63.89 0.08 . 1 . . . . . 138 SER CB . 53421 1 534 . 1 . 1 164 164 SER N N 15 115.86 0.08 . 1 . . . . . 138 SER N . 53421 1 535 . 1 . 1 165 165 GLU H H 1 8.54 0.08 . 1 . . . . . 139 GLU H . 53421 1 536 . 1 . 1 165 165 GLU C C 13 175.75 0.08 . 1 . . . . . 139 GLU C . 53421 1 537 . 1 . 1 165 165 GLU CA C 13 55.92 0.08 . 1 . . . . . 139 GLU CA . 53421 1 538 . 1 . 1 165 165 GLU CB C 13 30.73 0.08 . 1 . . . . . 139 GLU CB . 53421 1 539 . 1 . 1 165 165 GLU N N 15 122.61 0.08 . 1 . . . . . 139 GLU N . 53421 1 540 . 1 . 1 166 166 ILE H H 1 8.98 0.08 . 1 . . . . . 140 ILE H . 53421 1 541 . 1 . 1 166 166 ILE HG21 H 1 0.74 0.08 . 1 . . . . . 140 ILE MG . 53421 1 542 . 1 . 1 166 166 ILE HG22 H 1 0.74 0.08 . 1 . . . . . 140 ILE MG . 53421 1 543 . 1 . 1 166 166 ILE HG23 H 1 0.74 0.08 . 1 . . . . . 140 ILE MG . 53421 1 544 . 1 . 1 166 166 ILE HD11 H 1 0.63 0.08 . 1 . . . . . 140 ILE MD . 53421 1 545 . 1 . 1 166 166 ILE HD12 H 1 0.63 0.08 . 1 . . . . . 140 ILE MD . 53421 1 546 . 1 . 1 166 166 ILE HD13 H 1 0.63 0.08 . 1 . . . . . 140 ILE MD . 53421 1 547 . 1 . 1 166 166 ILE C C 13 175.00 0.08 . 1 . . . . . 140 ILE C . 53421 1 548 . 1 . 1 166 166 ILE CA C 13 62.43 0.08 . 1 . . . . . 140 ILE CA . 53421 1 549 . 1 . 1 166 166 ILE CB C 13 37.27 0.08 . 1 . . . . . 140 ILE CB . 53421 1 550 . 1 . 1 166 166 ILE CG2 C 13 17.78 0.08 . 1 . . . . . 140 ILE CG2 . 53421 1 551 . 1 . 1 166 166 ILE CD1 C 13 13.1 0.08 . 1 . . . . . 140 ILE CD1 . 53421 1 552 . 1 . 1 166 166 ILE N N 15 122.9 0.08 . 1 . . . . . 140 ILE N . 53421 1 553 . 1 . 1 167 167 VAL H H 1 8.64 0.08 . 1 . . . . . 141 VAL H . 53421 1 554 . 1 . 1 167 167 VAL HG21 H 1 1.05 0.08 . 1 . . . . . 141 VAL MG2 . 53421 1 555 . 1 . 1 167 167 VAL HG22 H 1 1.05 0.08 . 1 . . . . . 141 VAL MG2 . 53421 1 556 . 1 . 1 167 167 VAL HG23 H 1 1.05 0.08 . 1 . . . . . 141 VAL MG2 . 53421 1 557 . 1 . 1 167 167 VAL C C 13 176.33 0.08 . 1 . . . . . 141 VAL C . 53421 1 558 . 1 . 1 167 167 VAL CA C 13 62.25 0.08 . 1 . . . . . 141 VAL CA . 53421 1 559 . 1 . 1 167 167 VAL CB C 13 33.61 0.08 . 1 . . . . . 141 VAL CB . 53421 1 560 . 1 . 1 167 167 VAL CG2 C 13 21.56 0.08 . 1 . . . . . 141 VAL CG2 . 53421 1 561 . 1 . 1 167 167 VAL N N 15 130.78 0.08 . 1 . . . . . 141 VAL N . 53421 1 562 . 1 . 1 168 168 LEU H H 1 9.23 0.08 . 1 . . . . . 142 LEU H . 53421 1 563 . 1 . 1 168 168 LEU HD11 H 1 0.67 0.08 . 1 . . . . . 142 LEU MD1 . 53421 1 564 . 1 . 1 168 168 LEU HD12 H 1 0.67 0.08 . 1 . . . . . 142 LEU MD1 . 53421 1 565 . 1 . 1 168 168 LEU HD13 H 1 0.67 0.08 . 1 . . . . . 142 LEU MD1 . 53421 1 566 . 1 . 1 168 168 LEU HD21 H 1 0.59 0.08 . 1 . . . . . 142 LEU MD2 . 53421 1 567 . 1 . 1 168 168 LEU HD22 H 1 0.59 0.08 . 1 . . . . . 142 LEU MD2 . 53421 1 568 . 1 . 1 168 168 LEU HD23 H 1 0.59 0.08 . 1 . . . . . 142 LEU MD2 . 53421 1 569 . 1 . 1 168 168 LEU C C 13 175.99 0.08 . 1 . . . . . 142 LEU C . 53421 1 570 . 1 . 1 168 168 LEU CA C 13 53.12 0.08 . 1 . . . . . 142 LEU CA . 53421 1 571 . 1 . 1 168 168 LEU CB C 13 42.59 0.08 . 1 . . . . . 142 LEU CB . 53421 1 572 . 1 . 1 168 168 LEU CD1 C 13 26.65 0.08 . 1 . . . . . 142 LEU CD1 . 53421 1 573 . 1 . 1 168 168 LEU CD2 C 13 24.02 0.08 . 1 . . . . . 142 LEU CD2 . 53421 1 574 . 1 . 1 168 168 LEU N N 15 130.68 0.08 . 1 . . . . . 142 LEU N . 53421 1 575 . 1 . 1 169 169 THR H H 1 9.7 0.08 . 1 . . . . . 143 THR H . 53421 1 576 . 1 . 1 169 169 THR HG21 H 1 1.24 0.08 . 1 . . . . . 143 THR MG . 53421 1 577 . 1 . 1 169 169 THR HG22 H 1 1.24 0.08 . 1 . . . . . 143 THR MG . 53421 1 578 . 1 . 1 169 169 THR HG23 H 1 1.24 0.08 . 1 . . . . . 143 THR MG . 53421 1 579 . 1 . 1 169 169 THR C C 13 175.36 0.08 . 1 . . . . . 143 THR C . 53421 1 580 . 1 . 1 169 169 THR CA C 13 61.91 0.08 . 1 . . . . . 143 THR CA . 53421 1 581 . 1 . 1 169 169 THR CB C 13 70.24 0.08 . 1 . . . . . 143 THR CB . 53421 1 582 . 1 . 1 169 169 THR CG2 C 13 21.5 0.08 . 1 . . . . . 143 THR CG2 . 53421 1 583 . 1 . 1 169 169 THR N N 15 119.62 0.08 . 1 . . . . . 143 THR N . 53421 1 584 . 1 . 1 170 170 GLN H H 1 10.01 0.08 . 1 . . . . . 144 GLN H . 53421 1 585 . 1 . 1 170 170 GLN C C 13 175.14 0.08 . 1 . . . . . 144 GLN C . 53421 1 586 . 1 . 1 170 170 GLN CA C 13 55.83 0.08 . 1 . . . . . 144 GLN CA . 53421 1 587 . 1 . 1 170 170 GLN N N 15 130.14 0.08 . 1 . . . . . 144 GLN N . 53421 1 588 . 1 . 1 171 171 SER H H 1 8.48 0.08 . 1 . . . . . 145 SER H . 53421 1 589 . 1 . 1 171 171 SER C C 13 171.91 0.08 . 1 . . . . . 145 SER C . 53421 1 590 . 1 . 1 171 171 SER CA C 13 55.87 0.08 . 1 . . . . . 145 SER CA . 53421 1 591 . 1 . 1 171 171 SER CB C 13 65.24 0.08 . 1 . . . . . 145 SER CB . 53421 1 592 . 1 . 1 171 171 SER N N 15 116.32 0.08 . 1 . . . . . 145 SER N . 53421 1 593 . 1 . 1 173 173 GLY C C 13 175.13 0.08 . 1 . . . . . 147 GLY C . 53421 1 594 . 1 . 1 173 173 GLY CA C 13 47.65 0.08 . 1 . . . . . 147 GLY CA . 53421 1 595 . 1 . 1 174 174 THR H H 1 7.93 0.08 . 1 . . . . . 148 THR H . 53421 1 596 . 1 . 1 174 174 THR HG21 H 1 1.14 0.08 . 1 . . . . . 148 THR MG . 53421 1 597 . 1 . 1 174 174 THR HG22 H 1 1.14 0.08 . 1 . . . . . 148 THR MG . 53421 1 598 . 1 . 1 174 174 THR HG23 H 1 1.14 0.08 . 1 . . . . . 148 THR MG . 53421 1 599 . 1 . 1 174 174 THR C C 13 172.49 0.08 . 1 . . . . . 148 THR C . 53421 1 600 . 1 . 1 174 174 THR CA C 13 61.28 0.08 . 1 . . . . . 148 THR CA . 53421 1 601 . 1 . 1 174 174 THR CB C 13 72.07 0.08 . 1 . . . . . 148 THR CB . 53421 1 602 . 1 . 1 174 174 THR CG2 C 13 21.69 0.08 . 1 . . . . . 148 THR CG2 . 53421 1 603 . 1 . 1 174 174 THR N N 15 115.5 0.08 . 1 . . . . . 148 THR N . 53421 1 604 . 1 . 1 175 175 LEU H H 1 9.31 0.08 . 1 . . . . . 149 LEU H . 53421 1 605 . 1 . 1 175 175 LEU HD11 H 1 0.95 0.08 . 1 . . . . . 149 LEU MD1 . 53421 1 606 . 1 . 1 175 175 LEU HD12 H 1 0.95 0.08 . 1 . . . . . 149 LEU MD1 . 53421 1 607 . 1 . 1 175 175 LEU HD13 H 1 0.95 0.08 . 1 . . . . . 149 LEU MD1 . 53421 1 608 . 1 . 1 175 175 LEU HD21 H 1 1.02 0.08 . 1 . . . . . 149 LEU MD2 . 53421 1 609 . 1 . 1 175 175 LEU HD22 H 1 1.02 0.08 . 1 . . . . . 149 LEU MD2 . 53421 1 610 . 1 . 1 175 175 LEU HD23 H 1 1.02 0.08 . 1 . . . . . 149 LEU MD2 . 53421 1 611 . 1 . 1 175 175 LEU C C 13 174.06 0.08 . 1 . . . . . 149 LEU C . 53421 1 612 . 1 . 1 175 175 LEU CA C 13 53.86 0.08 . 1 . . . . . 149 LEU CA . 53421 1 613 . 1 . 1 175 175 LEU CB C 13 46.24 0.08 . 1 . . . . . 149 LEU CB . 53421 1 614 . 1 . 1 175 175 LEU CD1 C 13 24.97 0.08 . 1 . . . . . 149 LEU CD1 . 53421 1 615 . 1 . 1 175 175 LEU CD2 C 13 25.66 0.08 . 1 . . . . . 149 LEU CD2 . 53421 1 616 . 1 . 1 175 175 LEU N N 15 127.88 0.08 . 1 . . . . . 149 LEU N . 53421 1 617 . 1 . 1 176 176 SER H H 1 8.7 0.08 . 1 . . . . . 150 SER H . 53421 1 618 . 1 . 1 176 176 SER C C 13 174.00 0.08 . 1 . . . . . 150 SER C . 53421 1 619 . 1 . 1 176 176 SER CA C 13 56.42 0.08 . 1 . . . . . 150 SER CA . 53421 1 620 . 1 . 1 176 176 SER CB C 13 62.97 0.08 . 1 . . . . . 150 SER CB . 53421 1 621 . 1 . 1 176 176 SER N N 15 121.15 0.08 . 1 . . . . . 150 SER N . 53421 1 622 . 1 . 1 177 177 LEU H H 1 8.74 0.08 . 1 . . . . . 151 LEU H . 53421 1 623 . 1 . 1 177 177 LEU HD11 H 1 0.83 0.08 . 1 . . . . . 151 LEU MD1 . 53421 1 624 . 1 . 1 177 177 LEU HD12 H 1 0.83 0.08 . 1 . . . . . 151 LEU MD1 . 53421 1 625 . 1 . 1 177 177 LEU HD13 H 1 0.83 0.08 . 1 . . . . . 151 LEU MD1 . 53421 1 626 . 1 . 1 177 177 LEU HD21 H 1 1.03 0.08 . 1 . . . . . 151 LEU MD2 . 53421 1 627 . 1 . 1 177 177 LEU HD22 H 1 1.03 0.08 . 1 . . . . . 151 LEU MD2 . 53421 1 628 . 1 . 1 177 177 LEU HD23 H 1 1.03 0.08 . 1 . . . . . 151 LEU MD2 . 53421 1 629 . 1 . 1 177 177 LEU C C 13 175.52 0.08 . 1 . . . . . 151 LEU C . 53421 1 630 . 1 . 1 177 177 LEU CA C 13 53.31 0.08 . 1 . . . . . 151 LEU CA . 53421 1 631 . 1 . 1 177 177 LEU CB C 13 48.29 0.08 . 1 . . . . . 151 LEU CB . 53421 1 632 . 1 . 1 177 177 LEU CD1 C 13 28.04 0.08 . 1 . . . . . 151 LEU CD1 . 53421 1 633 . 1 . 1 177 177 LEU CD2 C 13 23.54 0.08 . 1 . . . . . 151 LEU CD2 . 53421 1 634 . 1 . 1 177 177 LEU N N 15 126.11 0.08 . 1 . . . . . 151 LEU N . 53421 1 635 . 1 . 1 178 178 SER H H 1 9.19 0.08 . 1 . . . . . 152 SER H . 53421 1 636 . 1 . 1 178 178 SER C C 13 171.81 0.08 . 1 . . . . . 152 SER C . 53421 1 637 . 1 . 1 178 178 SER CA C 13 56.99 0.08 . 1 . . . . . 152 SER CA . 53421 1 638 . 1 . 1 178 178 SER CB C 13 63.18 0.08 . 1 . . . . . 152 SER CB . 53421 1 639 . 1 . 1 178 178 SER N N 15 117.85 0.08 . 1 . . . . . 152 SER N . 53421 1 640 . 1 . 1 181 181 GLU C C 13 173.8 0.08 . 1 . . . . . 155 GLU C . 53421 1 641 . 1 . 1 181 181 GLU CA C 13 57.02 0.08 . 1 . . . . . 155 GLU CA . 53421 1 642 . 1 . 1 182 182 ARG H H 1 8.17 0.08 . 1 . . . . . 156 ARG H . 53421 1 643 . 1 . 1 182 182 ARG C C 13 175.26 0.08 . 1 . . . . . 156 ARG C . 53421 1 644 . 1 . 1 182 182 ARG CA C 13 54.85 0.08 . 1 . . . . . 156 ARG CA . 53421 1 645 . 1 . 1 182 182 ARG CB C 13 32.31 0.08 . 1 . . . . . 156 ARG CB . 53421 1 646 . 1 . 1 182 182 ARG N N 15 120.41 0.08 . 1 . . . . . 156 ARG N . 53421 1 647 . 1 . 1 183 183 ALA H H 1 8.65 0.08 . 1 . . . . . 157 ALA H . 53421 1 648 . 1 . 1 183 183 ALA HB1 H 1 0.97 0.08 . 1 . . . . . 157 ALA MB . 53421 1 649 . 1 . 1 183 183 ALA HB2 H 1 0.97 0.08 . 1 . . . . . 157 ALA MB . 53421 1 650 . 1 . 1 183 183 ALA HB3 H 1 0.97 0.08 . 1 . . . . . 157 ALA MB . 53421 1 651 . 1 . 1 183 183 ALA C C 13 175.41 0.08 . 1 . . . . . 157 ALA C . 53421 1 652 . 1 . 1 183 183 ALA CA C 13 50.31 0.08 . 1 . . . . . 157 ALA CA . 53421 1 653 . 1 . 1 183 183 ALA CB C 13 22.49 0.08 . 1 . . . . . 157 ALA CB . 53421 1 654 . 1 . 1 183 183 ALA N N 15 126.92 0.08 . 1 . . . . . 157 ALA N . 53421 1 655 . 1 . 1 184 184 THR H H 1 8.15 0.08 . 1 . . . . . 158 THR H . 53421 1 656 . 1 . 1 184 184 THR HG21 H 1 1.01 0.08 . 1 . . . . . 158 THR MG . 53421 1 657 . 1 . 1 184 184 THR HG22 H 1 1.01 0.08 . 1 . . . . . 158 THR MG . 53421 1 658 . 1 . 1 184 184 THR HG23 H 1 1.01 0.08 . 1 . . . . . 158 THR MG . 53421 1 659 . 1 . 1 184 184 THR C C 13 172.48 0.08 . 1 . . . . . 158 THR C . 53421 1 660 . 1 . 1 184 184 THR CA C 13 62.21 0.08 . 1 . . . . . 158 THR CA . 53421 1 661 . 1 . 1 184 184 THR CB C 13 70.29 0.08 . 1 . . . . . 158 THR CB . 53421 1 662 . 1 . 1 184 184 THR CG2 C 13 21.58 0.08 . 1 . . . . . 158 THR CG2 . 53421 1 663 . 1 . 1 184 184 THR N N 15 116.91 0.08 . 1 . . . . . 158 THR N . 53421 1 664 . 1 . 1 185 185 LEU H H 1 9.42 0.08 . 1 . . . . . 159 LEU H . 53421 1 665 . 1 . 1 185 185 LEU HD11 H 1 0.39 0.08 . 1 . . . . . 159 LEU MD1 . 53421 1 666 . 1 . 1 185 185 LEU HD12 H 1 0.39 0.08 . 1 . . . . . 159 LEU MD1 . 53421 1 667 . 1 . 1 185 185 LEU HD13 H 1 0.39 0.08 . 1 . . . . . 159 LEU MD1 . 53421 1 668 . 1 . 1 185 185 LEU HD21 H 1 0.62 0.08 . 1 . . . . . 159 LEU MD2 . 53421 1 669 . 1 . 1 185 185 LEU HD22 H 1 0.62 0.08 . 1 . . . . . 159 LEU MD2 . 53421 1 670 . 1 . 1 185 185 LEU HD23 H 1 0.62 0.08 . 1 . . . . . 159 LEU MD2 . 53421 1 671 . 1 . 1 185 185 LEU C C 13 175.5 0.08 . 1 . . . . . 159 LEU C . 53421 1 672 . 1 . 1 185 185 LEU CA C 13 55.55 0.08 . 1 . . . . . 159 LEU CA . 53421 1 673 . 1 . 1 185 185 LEU CB C 13 42.58 0.08 . 1 . . . . . 159 LEU CB . 53421 1 674 . 1 . 1 185 185 LEU CD1 C 13 24.8 0.08 . 1 . . . . . 159 LEU CD1 . 53421 1 675 . 1 . 1 185 185 LEU CD2 C 13 27.42 0.08 . 1 . . . . . 159 LEU CD2 . 53421 1 676 . 1 . 1 185 185 LEU N N 15 129.86 0.08 . 1 . . . . . 159 LEU N . 53421 1 677 . 1 . 1 186 186 SER H H 1 8.72 0.08 . 1 . . . . . 160 SER H . 53421 1 678 . 1 . 1 186 186 SER C C 13 174.93 0.08 . 1 . . . . . 160 SER C . 53421 1 679 . 1 . 1 186 186 SER CA C 13 58.21 0.08 . 1 . . . . . 160 SER CA . 53421 1 680 . 1 . 1 186 186 SER CB C 13 65.3 0.08 . 1 . . . . . 160 SER CB . 53421 1 681 . 1 . 1 186 186 SER N N 15 114.54 0.08 . 1 . . . . . 160 SER N . 53421 1 682 . 1 . 1 188 188 ARG H H 1 9.02 0.08 . 1 . . . . . 162 ARG H . 53421 1 683 . 1 . 1 188 188 ARG C C 13 175.06 0.08 . 1 . . . . . 162 ARG C . 53421 1 684 . 1 . 1 188 188 ARG CA C 13 54.26 0.08 . 1 . . . . . 162 ARG CA . 53421 1 685 . 1 . 1 188 188 ARG CB C 13 32.71 0.08 . 1 . . . . . 162 ARG CB . 53421 1 686 . 1 . 1 188 188 ARG N N 15 128.47 0.08 . 1 . . . . . 162 ARG N . 53421 1 687 . 1 . 1 189 189 ALA H H 1 9.52 0.08 . 1 . . . . . 163 ALA H . 53421 1 688 . 1 . 1 189 189 ALA HB1 H 1 1.45 0.08 . 1 . . . . . 163 ALA MB . 53421 1 689 . 1 . 1 189 189 ALA HB2 H 1 1.45 0.08 . 1 . . . . . 163 ALA MB . 53421 1 690 . 1 . 1 189 189 ALA HB3 H 1 1.45 0.08 . 1 . . . . . 163 ALA MB . 53421 1 691 . 1 . 1 189 189 ALA C C 13 178.22 0.08 . 1 . . . . . 163 ALA C . 53421 1 692 . 1 . 1 189 189 ALA CA C 13 50.27 0.08 . 1 . . . . . 163 ALA CA . 53421 1 693 . 1 . 1 189 189 ALA CB C 13 23.34 0.08 . 1 . . . . . 163 ALA CB . 53421 1 694 . 1 . 1 189 189 ALA N N 15 128.84 0.08 . 1 . . . . . 163 ALA N . 53421 1 695 . 1 . 1 190 190 SER H H 1 8.74 0.08 . 1 . . . . . 164 SER H . 53421 1 696 . 1 . 1 190 190 SER C C 13 173.85 0.08 . 1 . . . . . 164 SER C . 53421 1 697 . 1 . 1 190 190 SER CA C 13 60.49 0.08 . 1 . . . . . 164 SER CA . 53421 1 698 . 1 . 1 190 190 SER CB C 13 62.99 0.08 . 1 . . . . . 164 SER CB . 53421 1 699 . 1 . 1 190 190 SER N N 15 114.99 0.08 . 1 . . . . . 164 SER N . 53421 1 700 . 1 . 1 191 191 GLN H H 1 7.53 0.08 . 1 . . . . . 165 GLN H . 53421 1 701 . 1 . 1 191 191 GLN C C 13 173.14 0.08 . 1 . . . . . 165 GLN C . 53421 1 702 . 1 . 1 191 191 GLN CA C 13 53.8 0.08 . 1 . . . . . 165 GLN CA . 53421 1 703 . 1 . 1 191 191 GLN CB C 13 32.75 0.08 . 1 . . . . . 165 GLN CB . 53421 1 704 . 1 . 1 191 191 GLN N N 15 117.66 0.08 . 1 . . . . . 165 GLN N . 53421 1 705 . 1 . 1 192 192 SER H H 1 8.3 0.08 . 1 . . . . . 166 SER H . 53421 1 706 . 1 . 1 192 192 SER C C 13 174.25 0.08 . 1 . . . . . 166 SER C . 53421 1 707 . 1 . 1 192 192 SER CA C 13 59.75 0.08 . 1 . . . . . 166 SER CA . 53421 1 708 . 1 . 1 192 192 SER CB C 13 63.26 0.08 . 1 . . . . . 166 SER CB . 53421 1 709 . 1 . 1 192 192 SER N N 15 112.76 0.08 . 1 . . . . . 166 SER N . 53421 1 710 . 1 . 1 193 193 VAL H H 1 8.51 0.08 . 1 . . . . . 167 VAL H . 53421 1 711 . 1 . 1 193 193 VAL HG11 H 1 0.72 0.08 . 1 . . . . . 167 VAL MG1 . 53421 1 712 . 1 . 1 193 193 VAL HG12 H 1 0.72 0.08 . 1 . . . . . 167 VAL MG1 . 53421 1 713 . 1 . 1 193 193 VAL HG13 H 1 0.72 0.08 . 1 . . . . . 167 VAL MG1 . 53421 1 714 . 1 . 1 193 193 VAL HG21 H 1 0.81 0.08 . 1 . . . . . 167 VAL MG2 . 53421 1 715 . 1 . 1 193 193 VAL HG22 H 1 0.81 0.08 . 1 . . . . . 167 VAL MG2 . 53421 1 716 . 1 . 1 193 193 VAL HG23 H 1 0.81 0.08 . 1 . . . . . 167 VAL MG2 . 53421 1 717 . 1 . 1 193 193 VAL C C 13 176.15 0.08 . 1 . . . . . 167 VAL C . 53421 1 718 . 1 . 1 193 193 VAL CA C 13 61.32 0.08 . 1 . . . . . 167 VAL CA . 53421 1 719 . 1 . 1 193 193 VAL CB C 13 33.93 0.08 . 1 . . . . . 167 VAL CB . 53421 1 720 . 1 . 1 193 193 VAL CG1 C 13 21.56 0.08 . 1 . . . . . 167 VAL CG1 . 53421 1 721 . 1 . 1 193 193 VAL CG2 C 13 21.39 0.08 . 1 . . . . . 167 VAL CG2 . 53421 1 722 . 1 . 1 193 193 VAL N N 15 125.65 0.08 . 1 . . . . . 167 VAL N . 53421 1 723 . 1 . 1 194 194 GLY H H 1 8.77 0.08 . 1 . . . . . 168 GLY H . 53421 1 724 . 1 . 1 194 194 GLY C C 13 174.31 0.08 . 1 . . . . . 168 GLY C . 53421 1 725 . 1 . 1 194 194 GLY CA C 13 46.33 0.08 . 1 . . . . . 168 GLY CA . 53421 1 726 . 1 . 1 194 194 GLY N N 15 114.18 0.08 . 1 . . . . . 168 GLY N . 53421 1 727 . 1 . 1 195 195 SER H H 1 8.65 0.08 . 1 . . . . . 169 SER H . 53421 1 728 . 1 . 1 195 195 SER C C 13 173.36 0.08 . 1 . . . . . 169 SER C . 53421 1 729 . 1 . 1 195 195 SER CA C 13 60.69 0.08 . 1 . . . . . 169 SER CA . 53421 1 730 . 1 . 1 195 195 SER N N 15 117.87 0.08 . 1 . . . . . 169 SER N . 53421 1 731 . 1 . 1 196 196 SER H H 1 7.76 0.08 . 1 . . . . . 170 SER H . 53421 1 732 . 1 . 1 196 196 SER C C 13 173.58 0.08 . 1 . . . . . 170 SER C . 53421 1 733 . 1 . 1 196 196 SER CA C 13 59.83 0.08 . 1 . . . . . 170 SER CA . 53421 1 734 . 1 . 1 196 196 SER CB C 13 62.51 0.08 . 1 . . . . . 170 SER CB . 53421 1 735 . 1 . 1 196 196 SER N N 15 109.76 0.08 . 1 . . . . . 170 SER N . 53421 1 736 . 1 . 1 197 197 TYR H H 1 7.27 0.08 . 1 . . . . . 171 TYR H . 53421 1 737 . 1 . 1 197 197 TYR C C 13 171.99 0.08 . 1 . . . . . 171 TYR C . 53421 1 738 . 1 . 1 197 197 TYR CA C 13 54.49 0.08 . 1 . . . . . 171 TYR CA . 53421 1 739 . 1 . 1 197 197 TYR N N 15 117.91 0.08 . 1 . . . . . 171 TYR N . 53421 1 740 . 1 . 1 198 198 LEU H H 1 6.82 0.08 . 1 . . . . . 172 LEU H . 53421 1 741 . 1 . 1 198 198 LEU HD11 H 1 0.04 0.08 . 1 . . . . . 172 LEU MD1 . 53421 1 742 . 1 . 1 198 198 LEU HD12 H 1 0.04 0.08 . 1 . . . . . 172 LEU MD1 . 53421 1 743 . 1 . 1 198 198 LEU HD13 H 1 0.04 0.08 . 1 . . . . . 172 LEU MD1 . 53421 1 744 . 1 . 1 198 198 LEU HD21 H 1 0.11 0.08 . 1 . . . . . 172 LEU MD2 . 53421 1 745 . 1 . 1 198 198 LEU HD22 H 1 0.11 0.08 . 1 . . . . . 172 LEU MD2 . 53421 1 746 . 1 . 1 198 198 LEU HD23 H 1 0.11 0.08 . 1 . . . . . 172 LEU MD2 . 53421 1 747 . 1 . 1 198 198 LEU C C 13 175.65 0.08 . 1 . . . . . 172 LEU C . 53421 1 748 . 1 . 1 198 198 LEU CA C 13 51.63 0.08 . 1 . . . . . 172 LEU CA . 53421 1 749 . 1 . 1 198 198 LEU CD1 C 13 22.96 0.08 . 1 . . . . . 172 LEU CD1 . 53421 1 750 . 1 . 1 198 198 LEU CD2 C 13 22.51 0.08 . 1 . . . . . 172 LEU CD2 . 53421 1 751 . 1 . 1 198 198 LEU N N 15 123.95 0.08 . 1 . . . . . 172 LEU N . 53421 1 752 . 1 . 1 199 199 ALA H H 1 9.33 0.08 . 1 . . . . . 173 ALA H . 53421 1 753 . 1 . 1 199 199 ALA HB1 H 1 1.28 0.08 . 1 . . . . . 173 ALA MB . 53421 1 754 . 1 . 1 199 199 ALA HB2 H 1 1.28 0.08 . 1 . . . . . 173 ALA MB . 53421 1 755 . 1 . 1 199 199 ALA HB3 H 1 1.28 0.08 . 1 . . . . . 173 ALA MB . 53421 1 756 . 1 . 1 199 199 ALA C C 13 175.41 0.08 . 1 . . . . . 173 ALA C . 53421 1 757 . 1 . 1 199 199 ALA CA C 13 49.52 0.08 . 1 . . . . . 173 ALA CA . 53421 1 758 . 1 . 1 199 199 ALA CB C 13 23.88 0.08 . 1 . . . . . 173 ALA CB . 53421 1 759 . 1 . 1 199 199 ALA N N 15 127.39 0.08 . 1 . . . . . 173 ALA N . 53421 1 760 . 1 . 1 206 206 GLY C C 13 173.86 0.08 . 1 . . . . . 180 GLY C . 53421 1 761 . 1 . 1 206 206 GLY CA C 13 45.81 0.08 . 1 . . . . . 180 GLY CA . 53421 1 762 . 1 . 1 207 207 GLN H H 1 8.09 0.08 . 1 . . . . . 181 GLN H . 53421 1 763 . 1 . 1 207 207 GLN C C 13 174.94 0.08 . 1 . . . . . 181 GLN C . 53421 1 764 . 1 . 1 207 207 GLN CA C 13 53.89 0.08 . 1 . . . . . 181 GLN CA . 53421 1 765 . 1 . 1 207 207 GLN CB C 13 32.18 0.08 . 1 . . . . . 181 GLN CB . 53421 1 766 . 1 . 1 207 207 GLN N N 15 118.46 0.08 . 1 . . . . . 181 GLN N . 53421 1 767 . 1 . 1 208 208 ALA H H 1 8.46 0.08 . 1 . . . . . 182 ALA H . 53421 1 768 . 1 . 1 208 208 ALA HB1 H 1 1.26 0.08 . 1 . . . . . 182 ALA MB . 53421 1 769 . 1 . 1 208 208 ALA HB2 H 1 1.26 0.08 . 1 . . . . . 182 ALA MB . 53421 1 770 . 1 . 1 208 208 ALA HB3 H 1 1.26 0.08 . 1 . . . . . 182 ALA MB . 53421 1 771 . 1 . 1 208 208 ALA C C 13 175.3 0.08 . 1 . . . . . 182 ALA C . 53421 1 772 . 1 . 1 208 208 ALA CA C 13 50.56 0.08 . 1 . . . . . 182 ALA CA . 53421 1 773 . 1 . 1 208 208 ALA CB C 13 18.5 0.08 . 1 . . . . . 182 ALA CB . 53421 1 774 . 1 . 1 208 208 ALA N N 15 122.74 0.08 . 1 . . . . . 182 ALA N . 53421 1 775 . 1 . 1 209 209 PRO C C 13 173.06 0.08 . 1 . . . . . 183 PRO C . 53421 1 776 . 1 . 1 209 209 PRO CA C 13 62.12 0.08 . 1 . . . . . 183 PRO CA . 53421 1 777 . 1 . 1 210 210 ARG H H 1 8.66 0.08 . 1 . . . . . 184 ARG H . 53421 1 778 . 1 . 1 210 210 ARG C C 13 175.71 0.08 . 1 . . . . . 184 ARG C . 53421 1 779 . 1 . 1 210 210 ARG CA C 13 53.87 0.08 . 1 . . . . . 184 ARG CA . 53421 1 780 . 1 . 1 210 210 ARG CB C 13 31.07 0.08 . 1 . . . . . 184 ARG CB . 53421 1 781 . 1 . 1 210 210 ARG N N 15 117.19 0.08 . 1 . . . . . 184 ARG N . 53421 1 782 . 1 . 1 211 211 LEU H H 1 9.02 0.08 . 1 . . . . . 185 LEU H . 53421 1 783 . 1 . 1 211 211 LEU HD11 H 1 0.55 0.08 . 1 . . . . . 185 LEU MD1 . 53421 1 784 . 1 . 1 211 211 LEU HD12 H 1 0.55 0.08 . 1 . . . . . 185 LEU MD1 . 53421 1 785 . 1 . 1 211 211 LEU HD13 H 1 0.55 0.08 . 1 . . . . . 185 LEU MD1 . 53421 1 786 . 1 . 1 211 211 LEU HD21 H 1 0.64 0.08 . 1 . . . . . 185 LEU MD2 . 53421 1 787 . 1 . 1 211 211 LEU HD22 H 1 0.64 0.08 . 1 . . . . . 185 LEU MD2 . 53421 1 788 . 1 . 1 211 211 LEU HD23 H 1 0.64 0.08 . 1 . . . . . 185 LEU MD2 . 53421 1 789 . 1 . 1 211 211 LEU C C 13 174.62 0.08 . 1 . . . . . 185 LEU C . 53421 1 790 . 1 . 1 211 211 LEU CA C 13 56.61 0.08 . 1 . . . . . 185 LEU CA . 53421 1 791 . 1 . 1 211 211 LEU CB C 13 41.67 0.08 . 1 . . . . . 185 LEU CB . 53421 1 792 . 1 . 1 211 211 LEU CD1 C 13 23.47 0.08 . 1 . . . . . 185 LEU CD1 . 53421 1 793 . 1 . 1 211 211 LEU CD2 C 13 26.61 0.08 . 1 . . . . . 185 LEU CD2 . 53421 1 794 . 1 . 1 211 211 LEU N N 15 127.86 0.08 . 1 . . . . . 185 LEU N . 53421 1 795 . 1 . 1 212 212 LEU H H 1 8.93 0.08 . 1 . . . . . 186 LEU H . 53421 1 796 . 1 . 1 212 212 LEU HD11 H 1 0.56 0.08 . 1 . . . . . 186 LEU MD1 . 53421 1 797 . 1 . 1 212 212 LEU HD12 H 1 0.56 0.08 . 1 . . . . . 186 LEU MD1 . 53421 1 798 . 1 . 1 212 212 LEU HD13 H 1 0.56 0.08 . 1 . . . . . 186 LEU MD1 . 53421 1 799 . 1 . 1 212 212 LEU HD21 H 1 0.33 0.08 . 1 . . . . . 186 LEU MD2 . 53421 1 800 . 1 . 1 212 212 LEU HD22 H 1 0.33 0.08 . 1 . . . . . 186 LEU MD2 . 53421 1 801 . 1 . 1 212 212 LEU HD23 H 1 0.33 0.08 . 1 . . . . . 186 LEU MD2 . 53421 1 802 . 1 . 1 212 212 LEU C C 13 175.74 0.08 . 1 . . . . . 186 LEU C . 53421 1 803 . 1 . 1 212 212 LEU CA C 13 55.11 0.08 . 1 . . . . . 186 LEU CA . 53421 1 804 . 1 . 1 212 212 LEU CD1 C 13 26.52 0.08 . 1 . . . . . 186 LEU CD1 . 53421 1 805 . 1 . 1 212 212 LEU CD2 C 13 23.36 0.08 . 1 . . . . . 186 LEU CD2 . 53421 1 806 . 1 . 1 212 212 LEU N N 15 124.84 0.08 . 1 . . . . . 186 LEU N . 53421 1 807 . 1 . 1 213 213 ILE H H 1 7.31 0.08 . 1 . . . . . 187 ILE H . 53421 1 808 . 1 . 1 213 213 ILE HG21 H 1 0.65 0.08 . 1 . . . . . 187 ILE MG . 53421 1 809 . 1 . 1 213 213 ILE HG22 H 1 0.65 0.08 . 1 . . . . . 187 ILE MG . 53421 1 810 . 1 . 1 213 213 ILE HG23 H 1 0.65 0.08 . 1 . . . . . 187 ILE MG . 53421 1 811 . 1 . 1 213 213 ILE HD11 H 1 0.47 0.08 . 1 . . . . . 187 ILE MD . 53421 1 812 . 1 . 1 213 213 ILE HD12 H 1 0.47 0.08 . 1 . . . . . 187 ILE MD . 53421 1 813 . 1 . 1 213 213 ILE HD13 H 1 0.47 0.08 . 1 . . . . . 187 ILE MD . 53421 1 814 . 1 . 1 213 213 ILE C C 13 174.09 0.08 . 1 . . . . . 187 ILE C . 53421 1 815 . 1 . 1 213 213 ILE CA C 13 56.64 0.08 . 1 . . . . . 187 ILE CA . 53421 1 816 . 1 . 1 213 213 ILE CB C 13 43.03 0.08 . 1 . . . . . 187 ILE CB . 53421 1 817 . 1 . 1 213 213 ILE CG2 C 13 17.65 0.08 . 1 . . . . . 187 ILE CG2 . 53421 1 818 . 1 . 1 213 213 ILE CD1 C 13 11.31 0.08 . 1 . . . . . 187 ILE CD1 . 53421 1 819 . 1 . 1 213 213 ILE N N 15 117.48 0.08 . 1 . . . . . 187 ILE N . 53421 1 820 . 1 . 1 214 214 TYR H H 1 9.36 0.08 . 1 . . . . . 188 TYR H . 53421 1 821 . 1 . 1 214 214 TYR C C 13 172.91 0.08 . 1 . . . . . 188 TYR C . 53421 1 822 . 1 . 1 214 214 TYR CA C 13 55.14 0.08 . 1 . . . . . 188 TYR CA . 53421 1 823 . 1 . 1 214 214 TYR CB C 13 41.94 0.08 . 1 . . . . . 188 TYR CB . 53421 1 824 . 1 . 1 214 214 TYR N N 15 121.79 0.08 . 1 . . . . . 188 TYR N . 53421 1 825 . 1 . 1 215 215 GLY H H 1 8.05 0.08 . 1 . . . . . 189 GLY H . 53421 1 826 . 1 . 1 215 215 GLY C C 13 177.87 0.08 . 1 . . . . . 189 GLY C . 53421 1 827 . 1 . 1 215 215 GLY CA C 13 48.47 0.08 . 1 . . . . . 189 GLY CA . 53421 1 828 . 1 . 1 215 215 GLY N N 15 110.53 0.08 . 1 . . . . . 189 GLY N . 53421 1 829 . 1 . 1 216 216 ALA H H 1 9.1 0.08 . 1 . . . . . 190 ALA H . 53421 1 830 . 1 . 1 216 216 ALA HB1 H 1 1.4 0.08 . 1 . . . . . 190 ALA MB . 53421 1 831 . 1 . 1 216 216 ALA HB2 H 1 1.4 0.08 . 1 . . . . . 190 ALA MB . 53421 1 832 . 1 . 1 216 216 ALA HB3 H 1 1.4 0.08 . 1 . . . . . 190 ALA MB . 53421 1 833 . 1 . 1 216 216 ALA C C 13 178.69 0.08 . 1 . . . . . 190 ALA C . 53421 1 834 . 1 . 1 216 216 ALA CA C 13 57.7 0.08 . 1 . . . . . 190 ALA CA . 53421 1 835 . 1 . 1 216 216 ALA CB C 13 19.31 0.08 . 1 . . . . . 190 ALA CB . 53421 1 836 . 1 . 1 216 216 ALA N N 15 116.19 0.08 . 1 . . . . . 190 ALA N . 53421 1 837 . 1 . 1 217 217 PHE H H 1 8.34 0.08 . 1 . . . . . 191 PHE H . 53421 1 838 . 1 . 1 217 217 PHE C C 13 177.35 0.08 . 1 . . . . . 191 PHE C . 53421 1 839 . 1 . 1 217 217 PHE CA C 13 56.2 0.08 . 1 . . . . . 191 PHE CA . 53421 1 840 . 1 . 1 217 217 PHE CB C 13 42.39 0.08 . 1 . . . . . 191 PHE CB . 53421 1 841 . 1 . 1 217 217 PHE N N 15 114.79 0.08 . 1 . . . . . 191 PHE N . 53421 1 842 . 1 . 1 218 218 SER H H 1 8.37 0.08 . 1 . . . . . 192 SER H . 53421 1 843 . 1 . 1 218 218 SER C C 13 172.21 0.08 . 1 . . . . . 192 SER C . 53421 1 844 . 1 . 1 218 218 SER CA C 13 59.28 0.08 . 1 . . . . . 192 SER CA . 53421 1 845 . 1 . 1 218 218 SER CB C 13 62.7 0.08 . 1 . . . . . 192 SER CB . 53421 1 846 . 1 . 1 218 218 SER N N 15 119.24 0.08 . 1 . . . . . 192 SER N . 53421 1 847 . 1 . 1 219 219 ARG H H 1 8.79 0.08 . 1 . . . . . 193 ARG H . 53421 1 848 . 1 . 1 219 219 ARG C C 13 177.13 0.08 . 1 . . . . . 193 ARG C . 53421 1 849 . 1 . 1 219 219 ARG CA C 13 56.61 0.08 . 1 . . . . . 193 ARG CA . 53421 1 850 . 1 . 1 219 219 ARG CB C 13 31.93 0.08 . 1 . . . . . 193 ARG CB . 53421 1 851 . 1 . 1 219 219 ARG N N 15 124.38 0.08 . 1 . . . . . 193 ARG N . 53421 1 852 . 1 . 1 220 220 ALA H H 1 8.04 0.08 . 1 . . . . . 194 ALA H . 53421 1 853 . 1 . 1 220 220 ALA HB1 H 1 1.29 0.08 . 1 . . . . . 194 ALA MB . 53421 1 854 . 1 . 1 220 220 ALA HB2 H 1 1.29 0.08 . 1 . . . . . 194 ALA MB . 53421 1 855 . 1 . 1 220 220 ALA HB3 H 1 1.29 0.08 . 1 . . . . . 194 ALA MB . 53421 1 856 . 1 . 1 220 220 ALA C C 13 176.6 0.08 . 1 . . . . . 194 ALA C . 53421 1 857 . 1 . 1 220 220 ALA CA C 13 51.73 0.08 . 1 . . . . . 194 ALA CA . 53421 1 858 . 1 . 1 220 220 ALA CB C 13 18.77 0.08 . 1 . . . . . 194 ALA CB . 53421 1 859 . 1 . 1 220 220 ALA N N 15 125.4 0.08 . 1 . . . . . 194 ALA N . 53421 1 860 . 1 . 1 221 221 THR H H 1 8.43 0.08 . 1 . . . . . 195 THR H . 53421 1 861 . 1 . 1 221 221 THR HG21 H 1 1.28 0.08 . 1 . . . . . 195 THR MG . 53421 1 862 . 1 . 1 221 221 THR HG22 H 1 1.28 0.08 . 1 . . . . . 195 THR MG . 53421 1 863 . 1 . 1 221 221 THR HG23 H 1 1.28 0.08 . 1 . . . . . 195 THR MG . 53421 1 864 . 1 . 1 221 221 THR C C 13 175.86 0.08 . 1 . . . . . 195 THR C . 53421 1 865 . 1 . 1 221 221 THR CA C 13 64.86 0.08 . 1 . . . . . 195 THR CA . 53421 1 866 . 1 . 1 221 221 THR CB C 13 69.13 0.08 . 1 . . . . . 195 THR CB . 53421 1 867 . 1 . 1 221 221 THR CG2 C 13 21.77 0.08 . 1 . . . . . 195 THR CG2 . 53421 1 868 . 1 . 1 221 221 THR N N 15 116.95 0.08 . 1 . . . . . 195 THR N . 53421 1 869 . 1 . 1 223 223 ILE HG21 H 1 0.97 0.08 . 1 . . . . . 197 ILE MG . 53421 1 870 . 1 . 1 223 223 ILE HG22 H 1 0.97 0.08 . 1 . . . . . 197 ILE MG . 53421 1 871 . 1 . 1 223 223 ILE HG23 H 1 0.97 0.08 . 1 . . . . . 197 ILE MG . 53421 1 872 . 1 . 1 223 223 ILE HD11 H 1 0.65 0.08 . 1 . . . . . 197 ILE MD . 53421 1 873 . 1 . 1 223 223 ILE HD12 H 1 0.65 0.08 . 1 . . . . . 197 ILE MD . 53421 1 874 . 1 . 1 223 223 ILE HD13 H 1 0.65 0.08 . 1 . . . . . 197 ILE MD . 53421 1 875 . 1 . 1 223 223 ILE CG2 C 13 16.23 0.08 . 1 . . . . . 197 ILE CG2 . 53421 1 876 . 1 . 1 223 223 ILE CD1 C 13 8.39 0.08 . 1 . . . . . 197 ILE CD1 . 53421 1 877 . 1 . 1 227 227 PHE C C 13 174.58 0.08 . 1 . . . . . 201 PHE C . 53421 1 878 . 1 . 1 227 227 PHE CA C 13 57.99 0.08 . 1 . . . . . 201 PHE CA . 53421 1 879 . 1 . 1 227 227 PHE CB C 13 40.36 0.08 . 1 . . . . . 201 PHE CB . 53421 1 880 . 1 . 1 228 228 SER H H 1 8.98 0.08 . 1 . . . . . 202 SER H . 53421 1 881 . 1 . 1 228 228 SER C C 13 172.79 0.08 . 1 . . . . . 202 SER C . 53421 1 882 . 1 . 1 228 228 SER CA C 13 57.24 0.08 . 1 . . . . . 202 SER CA . 53421 1 883 . 1 . 1 228 228 SER CB C 13 65.65 0.08 . 1 . . . . . 202 SER CB . 53421 1 884 . 1 . 1 228 228 SER N N 15 115.47 0.08 . 1 . . . . . 202 SER N . 53421 1 885 . 1 . 1 229 229 GLY H H 1 9.19 0.08 . 1 . . . . . 203 GLY H . 53421 1 886 . 1 . 1 229 229 GLY C C 13 172.6 0.08 . 1 . . . . . 203 GLY C . 53421 1 887 . 1 . 1 229 229 GLY CA C 13 44.05 0.08 . 1 . . . . . 203 GLY CA . 53421 1 888 . 1 . 1 229 229 GLY N N 15 112.57 0.08 . 1 . . . . . 203 GLY N . 53421 1 889 . 1 . 1 230 230 SER H H 1 9.04 0.08 . 1 . . . . . 204 SER H . 53421 1 890 . 1 . 1 230 230 SER C C 13 173.87 0.08 . 1 . . . . . 204 SER C . 53421 1 891 . 1 . 1 230 230 SER CA C 13 57.5 0.08 . 1 . . . . . 204 SER CA . 53421 1 892 . 1 . 1 230 230 SER CB C 13 65.83 0.08 . 1 . . . . . 204 SER CB . 53421 1 893 . 1 . 1 230 230 SER N N 15 113.89 0.08 . 1 . . . . . 204 SER N . 53421 1 894 . 1 . 1 231 231 GLY H H 1 8.39 0.08 . 1 . . . . . 205 GLY H . 53421 1 895 . 1 . 1 231 231 GLY C C 13 171.97 0.08 . 1 . . . . . 205 GLY C . 53421 1 896 . 1 . 1 231 231 GLY CA C 13 45.72 0.08 . 1 . . . . . 205 GLY CA . 53421 1 897 . 1 . 1 231 231 GLY N N 15 109.97 0.08 . 1 . . . . . 205 GLY N . 53421 1 898 . 1 . 1 232 232 SER H H 1 7.35 0.08 . 1 . . . . . 206 SER H . 53421 1 899 . 1 . 1 232 232 SER C C 13 174.19 0.08 . 1 . . . . . 206 SER C . 53421 1 900 . 1 . 1 232 232 SER CA C 13 58.28 0.08 . 1 . . . . . 206 SER CA . 53421 1 901 . 1 . 1 232 232 SER CB C 13 64.59 0.08 . 1 . . . . . 206 SER CB . 53421 1 902 . 1 . 1 232 232 SER N N 15 109.07 0.08 . 1 . . . . . 206 SER N . 53421 1 903 . 1 . 1 233 233 GLY H H 1 8.96 0.08 . 1 . . . . . 207 GLY H . 53421 1 904 . 1 . 1 233 233 GLY C C 13 172.81 0.08 . 1 . . . . . 207 GLY C . 53421 1 905 . 1 . 1 233 233 GLY CA C 13 47.97 0.08 . 1 . . . . . 207 GLY CA . 53421 1 906 . 1 . 1 233 233 GLY N N 15 111.69 0.08 . 1 . . . . . 207 GLY N . 53421 1 907 . 1 . 1 234 234 THR H H 1 8.39 0.08 . 1 . . . . . 208 THR H . 53421 1 908 . 1 . 1 234 234 THR HG21 H 1 0.92 0.08 . 1 . . . . . 208 THR MG . 53421 1 909 . 1 . 1 234 234 THR HG22 H 1 0.92 0.08 . 1 . . . . . 208 THR MG . 53421 1 910 . 1 . 1 234 234 THR HG23 H 1 0.92 0.08 . 1 . . . . . 208 THR MG . 53421 1 911 . 1 . 1 234 234 THR C C 13 173.92 0.08 . 1 . . . . . 208 THR C . 53421 1 912 . 1 . 1 234 234 THR CA C 13 61.21 0.08 . 1 . . . . . 208 THR CA . 53421 1 913 . 1 . 1 234 234 THR CB C 13 70.52 0.08 . 1 . . . . . 208 THR CB . 53421 1 914 . 1 . 1 234 234 THR CG2 C 13 20.95 0.08 . 1 . . . . . 208 THR CG2 . 53421 1 915 . 1 . 1 234 234 THR N N 15 115.25 0.08 . 1 . . . . . 208 THR N . 53421 1 916 . 1 . 1 236 236 PHE C C 13 175.72 0.08 . 1 . . . . . 210 PHE C . 53421 1 917 . 1 . 1 236 236 PHE CA C 13 57.27 0.08 . 1 . . . . . 210 PHE CA . 53421 1 918 . 1 . 1 237 237 THR H H 1 9.16 0.08 . 1 . . . . . 211 THR H . 53421 1 919 . 1 . 1 237 237 THR HG21 H 1 1.04 0.08 . 1 . . . . . 211 THR MG . 53421 1 920 . 1 . 1 237 237 THR HG22 H 1 1.04 0.08 . 1 . . . . . 211 THR MG . 53421 1 921 . 1 . 1 237 237 THR HG23 H 1 1.04 0.08 . 1 . . . . . 211 THR MG . 53421 1 922 . 1 . 1 237 237 THR C C 13 172.5 0.08 . 1 . . . . . 211 THR C . 53421 1 923 . 1 . 1 237 237 THR CA C 13 60.99 0.08 . 1 . . . . . 211 THR CA . 53421 1 924 . 1 . 1 237 237 THR CB C 13 73.04 0.08 . 1 . . . . . 211 THR CB . 53421 1 925 . 1 . 1 237 237 THR CG2 C 13 22.03 0.08 . 1 . . . . . 211 THR CG2 . 53421 1 926 . 1 . 1 237 237 THR N N 15 116.68 0.08 . 1 . . . . . 211 THR N . 53421 1 927 . 1 . 1 238 238 LEU H H 1 8.65 0.08 . 1 . . . . . 212 LEU H . 53421 1 928 . 1 . 1 238 238 LEU HD11 H 1 0.26 0.08 . 1 . . . . . 212 LEU MD1 . 53421 1 929 . 1 . 1 238 238 LEU HD12 H 1 0.26 0.08 . 1 . . . . . 212 LEU MD1 . 53421 1 930 . 1 . 1 238 238 LEU HD13 H 1 0.26 0.08 . 1 . . . . . 212 LEU MD1 . 53421 1 931 . 1 . 1 238 238 LEU HD21 H 1 0.15 0.08 . 1 . . . . . 212 LEU MD2 . 53421 1 932 . 1 . 1 238 238 LEU HD22 H 1 0.15 0.08 . 1 . . . . . 212 LEU MD2 . 53421 1 933 . 1 . 1 238 238 LEU HD23 H 1 0.15 0.08 . 1 . . . . . 212 LEU MD2 . 53421 1 934 . 1 . 1 238 238 LEU C C 13 174.36 0.08 . 1 . . . . . 212 LEU C . 53421 1 935 . 1 . 1 238 238 LEU CA C 13 53.23 0.08 . 1 . . . . . 212 LEU CA . 53421 1 936 . 1 . 1 238 238 LEU CD1 C 13 23.87 0.08 . 1 . . . . . 212 LEU CD1 . 53421 1 937 . 1 . 1 238 238 LEU CD2 C 13 26.62 0.08 . 1 . . . . . 212 LEU CD2 . 53421 1 938 . 1 . 1 238 238 LEU N N 15 127.94 0.08 . 1 . . . . . 212 LEU N . 53421 1 939 . 1 . 1 239 239 THR H H 1 9.14 0.08 . 1 . . . . . 213 THR H . 53421 1 940 . 1 . 1 239 239 THR HG21 H 1 0.9 0.08 . 1 . . . . . 213 THR MG . 53421 1 941 . 1 . 1 239 239 THR HG22 H 1 0.9 0.08 . 1 . . . . . 213 THR MG . 53421 1 942 . 1 . 1 239 239 THR HG23 H 1 0.9 0.08 . 1 . . . . . 213 THR MG . 53421 1 943 . 1 . 1 239 239 THR C C 13 173.4 0.08 . 1 . . . . . 213 THR C . 53421 1 944 . 1 . 1 239 239 THR CA C 13 60.93 0.08 . 1 . . . . . 213 THR CA . 53421 1 945 . 1 . 1 239 239 THR CB C 13 70.59 0.08 . 1 . . . . . 213 THR CB . 53421 1 946 . 1 . 1 239 239 THR CG2 C 13 20.71 0.08 . 1 . . . . . 213 THR CG2 . 53421 1 947 . 1 . 1 239 239 THR N N 15 123.06 0.08 . 1 . . . . . 213 THR N . 53421 1 948 . 1 . 1 240 240 ILE H H 1 8.93 0.08 . 1 . . . . . 214 ILE H . 53421 1 949 . 1 . 1 240 240 ILE HG21 H 1 0.03 0.08 . 1 . . . . . 214 ILE MG . 53421 1 950 . 1 . 1 240 240 ILE HG22 H 1 0.03 0.08 . 1 . . . . . 214 ILE MG . 53421 1 951 . 1 . 1 240 240 ILE HG23 H 1 0.03 0.08 . 1 . . . . . 214 ILE MG . 53421 1 952 . 1 . 1 240 240 ILE HD11 H 1 0.24 0.08 . 1 . . . . . 214 ILE MD . 53421 1 953 . 1 . 1 240 240 ILE HD12 H 1 0.24 0.08 . 1 . . . . . 214 ILE MD . 53421 1 954 . 1 . 1 240 240 ILE HD13 H 1 0.24 0.08 . 1 . . . . . 214 ILE MD . 53421 1 955 . 1 . 1 240 240 ILE C C 13 176.6 0.08 . 1 . . . . . 214 ILE C . 53421 1 956 . 1 . 1 240 240 ILE CA C 13 59.97 0.08 . 1 . . . . . 214 ILE CA . 53421 1 957 . 1 . 1 240 240 ILE CB C 13 38.1 0.08 . 1 . . . . . 214 ILE CB . 53421 1 958 . 1 . 1 240 240 ILE CG2 C 13 17.31 0.08 . 1 . . . . . 214 ILE CG2 . 53421 1 959 . 1 . 1 240 240 ILE CD1 C 13 13.05 0.08 . 1 . . . . . 214 ILE CD1 . 53421 1 960 . 1 . 1 240 240 ILE N N 15 126.74 0.08 . 1 . . . . . 214 ILE N . 53421 1 961 . 1 . 1 241 241 SER H H 1 8.95 0.08 . 1 . . . . . 215 SER H . 53421 1 962 . 1 . 1 241 241 SER C C 13 173.78 0.08 . 1 . . . . . 215 SER C . 53421 1 963 . 1 . 1 241 241 SER CA C 13 61.25 0.08 . 1 . . . . . 215 SER CA . 53421 1 964 . 1 . 1 241 241 SER CB C 13 62.68 0.08 . 1 . . . . . 215 SER CB . 53421 1 965 . 1 . 1 241 241 SER N N 15 121.5 0.08 . 1 . . . . . 215 SER N . 53421 1 966 . 1 . 1 242 242 ARG H H 1 6.58 0.08 . 1 . . . . . 216 ARG H . 53421 1 967 . 1 . 1 242 242 ARG C C 13 174.59 0.08 . 1 . . . . . 216 ARG C . 53421 1 968 . 1 . 1 242 242 ARG CA C 13 55.65 0.08 . 1 . . . . . 216 ARG CA . 53421 1 969 . 1 . 1 242 242 ARG CB C 13 31.5 0.08 . 1 . . . . . 216 ARG CB . 53421 1 970 . 1 . 1 242 242 ARG N N 15 117.98 0.08 . 1 . . . . . 216 ARG N . 53421 1 971 . 1 . 1 243 243 LEU H H 1 8.48 0.08 . 1 . . . . . 217 LEU H . 53421 1 972 . 1 . 1 243 243 LEU HD11 H 1 0.49 0.08 . 1 . . . . . 217 LEU MD1 . 53421 1 973 . 1 . 1 243 243 LEU HD12 H 1 0.49 0.08 . 1 . . . . . 217 LEU MD1 . 53421 1 974 . 1 . 1 243 243 LEU HD13 H 1 0.49 0.08 . 1 . . . . . 217 LEU MD1 . 53421 1 975 . 1 . 1 243 243 LEU HD21 H 1 0.3 0.08 . 1 . . . . . 217 LEU MD2 . 53421 1 976 . 1 . 1 243 243 LEU HD22 H 1 0.3 0.08 . 1 . . . . . 217 LEU MD2 . 53421 1 977 . 1 . 1 243 243 LEU HD23 H 1 0.3 0.08 . 1 . . . . . 217 LEU MD2 . 53421 1 978 . 1 . 1 243 243 LEU C C 13 177.94 0.08 . 1 . . . . . 217 LEU C . 53421 1 979 . 1 . 1 243 243 LEU CA C 13 56.21 0.08 . 1 . . . . . 217 LEU CA . 53421 1 980 . 1 . 1 243 243 LEU CB C 13 43.45 0.08 . 1 . . . . . 217 LEU CB . 53421 1 981 . 1 . 1 243 243 LEU CD1 C 13 27.83 0.08 . 1 . . . . . 217 LEU CD1 . 53421 1 982 . 1 . 1 243 243 LEU CD2 C 13 25.54 0.08 . 1 . . . . . 217 LEU CD2 . 53421 1 983 . 1 . 1 243 243 LEU N N 15 123.57 0.08 . 1 . . . . . 217 LEU N . 53421 1 984 . 1 . 1 244 244 GLU H H 1 9.33 0.08 . 1 . . . . . 218 GLU H . 53421 1 985 . 1 . 1 244 244 GLU C C 13 175.77 0.08 . 1 . . . . . 218 GLU C . 53421 1 986 . 1 . 1 244 244 GLU CA C 13 53.59 0.08 . 1 . . . . . 218 GLU CA . 53421 1 987 . 1 . 1 244 244 GLU CB C 13 29.54 0.08 . 1 . . . . . 218 GLU CB . 53421 1 988 . 1 . 1 244 244 GLU N N 15 126.74 0.08 . 1 . . . . . 218 GLU N . 53421 1 989 . 1 . 1 247 247 ASP C C 13 177.38 0.08 . 1 . . . . . 221 ASP C . 53421 1 990 . 1 . 1 247 247 ASP CA C 13 54.75 0.08 . 1 . . . . . 221 ASP CA . 53421 1 991 . 1 . 1 248 248 PHE H H 1 7.27 0.08 . 1 . . . . . 222 PHE H . 53421 1 992 . 1 . 1 248 248 PHE C C 13 174.2 0.08 . 1 . . . . . 222 PHE C . 53421 1 993 . 1 . 1 248 248 PHE CA C 13 60.73 0.08 . 1 . . . . . 222 PHE CA . 53421 1 994 . 1 . 1 248 248 PHE N N 15 121.79 0.08 . 1 . . . . . 222 PHE N . 53421 1 995 . 1 . 1 249 249 ALA H H 1 8.32 0.08 . 1 . . . . . 223 ALA H . 53421 1 996 . 1 . 1 249 249 ALA HB1 H 1 1.00 0.08 . 1 . . . . . 223 ALA MB . 53421 1 997 . 1 . 1 249 249 ALA HB2 H 1 1.00 0.08 . 1 . . . . . 223 ALA MB . 53421 1 998 . 1 . 1 249 249 ALA HB3 H 1 1.00 0.08 . 1 . . . . . 223 ALA MB . 53421 1 999 . 1 . 1 249 249 ALA C C 13 174.01 0.08 . 1 . . . . . 223 ALA C . 53421 1 1000 . 1 . 1 249 249 ALA CA C 13 51.45 0.08 . 1 . . . . . 223 ALA CA . 53421 1 1001 . 1 . 1 249 249 ALA CB C 13 20.72 0.08 . 1 . . . . . 223 ALA CB . 53421 1 1002 . 1 . 1 249 249 ALA N N 15 128.91 0.08 . 1 . . . . . 223 ALA N . 53421 1 1003 . 1 . 1 250 250 VAL H H 1 7.92 0.08 . 1 . . . . . 224 VAL H . 53421 1 1004 . 1 . 1 250 250 VAL HG11 H 1 0.42 0.08 . 1 . . . . . 224 VAL MG1 . 53421 1 1005 . 1 . 1 250 250 VAL HG12 H 1 0.42 0.08 . 1 . . . . . 224 VAL MG1 . 53421 1 1006 . 1 . 1 250 250 VAL HG13 H 1 0.42 0.08 . 1 . . . . . 224 VAL MG1 . 53421 1 1007 . 1 . 1 250 250 VAL HG21 H 1 0.92 0.08 . 1 . . . . . 224 VAL MG2 . 53421 1 1008 . 1 . 1 250 250 VAL HG22 H 1 0.92 0.08 . 1 . . . . . 224 VAL MG2 . 53421 1 1009 . 1 . 1 250 250 VAL HG23 H 1 0.92 0.08 . 1 . . . . . 224 VAL MG2 . 53421 1 1010 . 1 . 1 250 250 VAL C C 13 174.46 0.08 . 1 . . . . . 224 VAL C . 53421 1 1011 . 1 . 1 250 250 VAL CA C 13 61.65 0.08 . 1 . . . . . 224 VAL CA . 53421 1 1012 . 1 . 1 250 250 VAL CB C 13 32.77 0.08 . 1 . . . . . 224 VAL CB . 53421 1 1013 . 1 . 1 250 250 VAL CG1 C 13 21.26 0.08 . 1 . . . . . 224 VAL CG1 . 53421 1 1014 . 1 . 1 250 250 VAL CG2 C 13 22.29 0.08 . 1 . . . . . 224 VAL CG2 . 53421 1 1015 . 1 . 1 250 250 VAL N N 15 118.61 0.08 . 1 . . . . . 224 VAL N . 53421 1 1016 . 1 . 1 251 251 TYR H H 1 8.74 0.08 . 1 . . . . . 225 TYR H . 53421 1 1017 . 1 . 1 251 251 TYR C C 13 176.66 0.08 . 1 . . . . . 225 TYR C . 53421 1 1018 . 1 . 1 251 251 TYR CA C 13 56.46 0.08 . 1 . . . . . 225 TYR CA . 53421 1 1019 . 1 . 1 251 251 TYR CB C 13 42.2 0.08 . 1 . . . . . 225 TYR CB . 53421 1 1020 . 1 . 1 251 251 TYR N N 15 123.81 0.08 . 1 . . . . . 225 TYR N . 53421 1 1021 . 1 . 1 252 252 TYR H H 1 9.52 0.08 . 1 . . . . . 226 TYR H . 53421 1 1022 . 1 . 1 252 252 TYR CA C 13 57.44 0.08 . 1 . . . . . 226 TYR CA . 53421 1 1023 . 1 . 1 252 252 TYR N N 15 121.28 0.08 . 1 . . . . . 226 TYR N . 53421 1 1024 . 1 . 1 262 262 THR HG21 H 1 1.48 0.08 . 1 . . . . . 236 THR MG . 53421 1 1025 . 1 . 1 262 262 THR HG22 H 1 1.48 0.08 . 1 . . . . . 236 THR MG . 53421 1 1026 . 1 . 1 262 262 THR HG23 H 1 1.48 0.08 . 1 . . . . . 236 THR MG . 53421 1 1027 . 1 . 1 262 262 THR CG2 C 13 23.72 0.08 . 1 . . . . . 236 THR CG2 . 53421 1 1028 . 1 . 1 264 264 GLY C C 13 173.67 0.08 . 1 . . . . . 238 GLY C . 53421 1 1029 . 1 . 1 264 264 GLY CA C 13 45.16 0.08 . 1 . . . . . 238 GLY CA . 53421 1 1030 . 1 . 1 265 265 GLN H H 1 8.91 0.08 . 1 . . . . . 239 GLN H . 53421 1 1031 . 1 . 1 265 265 GLN C C 13 176.66 0.08 . 1 . . . . . 239 GLN C . 53421 1 1032 . 1 . 1 265 265 GLN CA C 13 57.27 0.08 . 1 . . . . . 239 GLN CA . 53421 1 1033 . 1 . 1 265 265 GLN N N 15 116.11 0.08 . 1 . . . . . 239 GLN N . 53421 1 1034 . 1 . 1 266 266 GLY H H 1 7.64 0.08 . 1 . . . . . 240 GLY H . 53421 1 1035 . 1 . 1 266 266 GLY C C 13 172.48 0.08 . 1 . . . . . 240 GLY C . 53421 1 1036 . 1 . 1 266 266 GLY CA C 13 45.06 0.08 . 1 . . . . . 240 GLY CA . 53421 1 1037 . 1 . 1 266 266 GLY N N 15 108.66 0.08 . 1 . . . . . 240 GLY N . 53421 1 1038 . 1 . 1 267 267 THR H H 1 8.25 0.08 . 1 . . . . . 241 THR H . 53421 1 1039 . 1 . 1 267 267 THR HG21 H 1 1.04 0.08 . 1 . . . . . 241 THR MG . 53421 1 1040 . 1 . 1 267 267 THR HG22 H 1 1.04 0.08 . 1 . . . . . 241 THR MG . 53421 1 1041 . 1 . 1 267 267 THR HG23 H 1 1.04 0.08 . 1 . . . . . 241 THR MG . 53421 1 1042 . 1 . 1 267 267 THR C C 13 173.77 0.08 . 1 . . . . . 241 THR C . 53421 1 1043 . 1 . 1 267 267 THR CA C 13 62.3 0.08 . 1 . . . . . 241 THR CA . 53421 1 1044 . 1 . 1 267 267 THR CB C 13 73.24 0.08 . 1 . . . . . 241 THR CB . 53421 1 1045 . 1 . 1 267 267 THR CG2 C 13 22.03 0.08 . 1 . . . . . 241 THR CG2 . 53421 1 1046 . 1 . 1 267 267 THR N N 15 118.64 0.08 . 1 . . . . . 241 THR N . 53421 1 1047 . 1 . 1 268 268 LYS H H 1 8.67 0.08 . 1 . . . . . 242 LYS H . 53421 1 1048 . 1 . 1 268 268 LYS C C 13 173.99 0.08 . 1 . . . . . 242 LYS C . 53421 1 1049 . 1 . 1 268 268 LYS CA C 13 56.29 0.08 . 1 . . . . . 242 LYS CA . 53421 1 1050 . 1 . 1 268 268 LYS CB C 13 33.72 0.08 . 1 . . . . . 242 LYS CB . 53421 1 1051 . 1 . 1 268 268 LYS N N 15 129.02 0.08 . 1 . . . . . 242 LYS N . 53421 1 1052 . 1 . 1 269 269 VAL H H 1 9.01 0.08 . 1 . . . . . 243 VAL H . 53421 1 1053 . 1 . 1 269 269 VAL HG11 H 1 0.8 0.08 . 1 . . . . . 243 VAL MG1 . 53421 1 1054 . 1 . 1 269 269 VAL HG12 H 1 0.8 0.08 . 1 . . . . . 243 VAL MG1 . 53421 1 1055 . 1 . 1 269 269 VAL HG13 H 1 0.8 0.08 . 1 . . . . . 243 VAL MG1 . 53421 1 1056 . 1 . 1 269 269 VAL HG21 H 1 0.96 0.08 . 1 . . . . . 243 VAL MG2 . 53421 1 1057 . 1 . 1 269 269 VAL HG22 H 1 0.96 0.08 . 1 . . . . . 243 VAL MG2 . 53421 1 1058 . 1 . 1 269 269 VAL HG23 H 1 0.96 0.08 . 1 . . . . . 243 VAL MG2 . 53421 1 1059 . 1 . 1 269 269 VAL C C 13 174.8 0.08 . 1 . . . . . 243 VAL C . 53421 1 1060 . 1 . 1 269 269 VAL CA C 13 62.27 0.08 . 1 . . . . . 243 VAL CA . 53421 1 1061 . 1 . 1 269 269 VAL CB C 13 32.44 0.08 . 1 . . . . . 243 VAL CB . 53421 1 1062 . 1 . 1 269 269 VAL CG1 C 13 21.4 0.08 . 1 . . . . . 243 VAL CG1 . 53421 1 1063 . 1 . 1 269 269 VAL CG2 C 13 22.84 0.08 . 1 . . . . . 243 VAL CG2 . 53421 1 1064 . 1 . 1 269 269 VAL N N 15 128.79 0.08 . 1 . . . . . 243 VAL N . 53421 1 1065 . 1 . 1 270 270 GLU H H 1 9.44 0.08 . 1 . . . . . 244 GLU H . 53421 1 1066 . 1 . 1 270 270 GLU C C 13 174.07 0.08 . 1 . . . . . 244 GLU C . 53421 1 1067 . 1 . 1 270 270 GLU CA C 13 54.14 0.08 . 1 . . . . . 244 GLU CA . 53421 1 1068 . 1 . 1 270 270 GLU CB C 13 33.68 0.08 . 1 . . . . . 244 GLU CB . 53421 1 1069 . 1 . 1 270 270 GLU N N 15 127.51 0.08 . 1 . . . . . 244 GLU N . 53421 1 1070 . 1 . 1 271 271 ILE H H 1 7.93 0.08 . 1 . . . . . 245 ILE H . 53421 1 1071 . 1 . 1 271 271 ILE HG21 H 1 0.62 0.08 . 1 . . . . . 245 ILE MG . 53421 1 1072 . 1 . 1 271 271 ILE HG22 H 1 0.62 0.08 . 1 . . . . . 245 ILE MG . 53421 1 1073 . 1 . 1 271 271 ILE HG23 H 1 0.62 0.08 . 1 . . . . . 245 ILE MG . 53421 1 1074 . 1 . 1 271 271 ILE HD11 H 1 0.58 0.08 . 1 . . . . . 245 ILE MD . 53421 1 1075 . 1 . 1 271 271 ILE HD12 H 1 0.58 0.08 . 1 . . . . . 245 ILE MD . 53421 1 1076 . 1 . 1 271 271 ILE HD13 H 1 0.58 0.08 . 1 . . . . . 245 ILE MD . 53421 1 1077 . 1 . 1 271 271 ILE C C 13 176.41 0.08 . 1 . . . . . 245 ILE C . 53421 1 1078 . 1 . 1 271 271 ILE CA C 13 60.46 0.08 . 1 . . . . . 245 ILE CA . 53421 1 1079 . 1 . 1 271 271 ILE CG2 C 13 16.6 0.08 . 1 . . . . . 245 ILE CG2 . 53421 1 1080 . 1 . 1 271 271 ILE CD1 C 13 13.29 0.08 . 1 . . . . . 245 ILE CD1 . 53421 1 1081 . 1 . 1 271 271 ILE N N 15 122.12 0.08 . 1 . . . . . 245 ILE N . 53421 1 1082 . 1 . 1 272 272 LYS H H 1 8.03 0.08 . 1 . . . . . 246 LYS H . 53421 1 1083 . 1 . 1 272 272 LYS C C 13 175.75 0.08 . 1 . . . . . 246 LYS C . 53421 1 1084 . 1 . 1 272 272 LYS CA C 13 56.49 0.08 . 1 . . . . . 246 LYS CA . 53421 1 1085 . 1 . 1 272 272 LYS CB C 13 33.32 0.08 . 1 . . . . . 246 LYS CB . 53421 1 1086 . 1 . 1 272 272 LYS N N 15 129.42 0.08 . 1 . . . . . 246 LYS N . 53421 1 1087 . 1 . 1 273 273 ARG H H 1 8.62 0.08 . 1 . . . . . 247 ARG H . 53421 1 1088 . 1 . 1 273 273 ARG C C 13 175.57 0.08 . 1 . . . . . 247 ARG C . 53421 1 1089 . 1 . 1 273 273 ARG CA C 13 56.21 0.08 . 1 . . . . . 247 ARG CA . 53421 1 1090 . 1 . 1 273 273 ARG CB C 13 31.05 0.08 . 1 . . . . . 247 ARG CB . 53421 1 1091 . 1 . 1 273 273 ARG N N 15 126.56 0.08 . 1 . . . . . 247 ARG N . 53421 1 1092 . 1 . 1 274 274 THR H H 1 7.81 0.08 . 1 . . . . . 248 THR H . 53421 1 1093 . 1 . 1 274 274 THR HG21 H 1 1.14 0.08 . 1 . . . . . 248 THR MG . 53421 1 1094 . 1 . 1 274 274 THR HG22 H 1 1.14 0.08 . 1 . . . . . 248 THR MG . 53421 1 1095 . 1 . 1 274 274 THR HG23 H 1 1.14 0.08 . 1 . . . . . 248 THR MG . 53421 1 1096 . 1 . 1 274 274 THR C C 13 179.00 0.08 . 1 . . . . . 248 THR C . 53421 1 1097 . 1 . 1 274 274 THR CA C 13 63.01 0.08 . 1 . . . . . 248 THR CA . 53421 1 1098 . 1 . 1 274 274 THR CB C 13 70.72 0.08 . 1 . . . . . 248 THR CB . 53421 1 1099 . 1 . 1 274 274 THR CG2 C 13 22.05 0.08 . 1 . . . . . 248 THR CG2 . 53421 1 1100 . 1 . 1 274 274 THR N N 15 120.43 0.08 . 1 . . . . . 248 THR N . 53421 1 stop_ save_