data_34759 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34759 _Entry.Title ; Human HSP90 alpha ATP Binding Domain, ATP-lid closed conformation, R46A ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-09-30 _Entry.Accession_date 2022-09-30 _Entry.Last_release_date 2022-11-04 _Entry.Original_release_date 2022-11-04 _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 NMR' _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 E. Rioual E. . . . 34759 2 F. Henot F. . . . 34759 3 A. Favier A. . . . 34759 4 P. Macek P. . . . 34759 5 E. Crublet E. . . . 34759 6 P. Josso P. . . . 34759 7 B. Brustcher B. . . . 34759 8 M. Frech M. . . . 34759 9 P. Gans P. . . . 34759 10 C. Loison C. . . . 34759 11 J. Boisbouvier J. . . . 34759 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'ATP Binding Domain' . 34759 'ATP-lid Closed State' . 34759 CHAPERONE . 34759 'Ground State' . 34759 'HSP90 alpha' . 34759 'Human Chaperone Protein' . 34759 'N-Terminal Domain' . 34759 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34759 spectral_peak_list 1 34759 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 624 34759 '15N chemical shifts' 166 34759 '1H chemical shifts' 427 34759 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 2 . . 2023-02-09 2022-09-30 update BMRB 'update entry citation' 34759 1 . . 2022-11-08 2022-09-30 original author 'original release' 34759 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 8B7J 'BMRB Entry Tracking System' 34759 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34759 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 36494347 _Citation.DOI 10.1038/s41467-022-35399-8 _Citation.Full_citation . _Citation.Title ; Visualizing the transiently populated closed-state of human HSP90 ATP binding domain ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature communications' _Citation.Journal_volume 13 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2041-1723 _Citation.Journal_CSD 0353 _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 7601 _Citation.Page_last 7601 _Citation.Year 2022 _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 F. . . . 34759 1 2 Elisa Rioual E. . . . 34759 1 3 Adrien Favier A. . . . 34759 1 4 Pavel Macek P. . . . 34759 1 5 Elodie Crublet E. . . . 34759 1 6 Pierre Josso P. . . . 34759 1 7 Bernhard Brutscher B. . . . 34759 1 8 Matthias Frech M. . . . 34759 1 9 Pierre Gans P. . . . 34759 1 10 Claire Loison C. . . . 34759 1 11 Jerome Boisbouvier J. . . . 34759 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34759 _Assembly.ID 1 _Assembly.Name 'HSP90AA1 protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 34759 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34759 _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 A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGSSHHHHHHSSGLVPRGSH NQTSLYKKAGFENLYFQGDQ PMEEEEVETFAFQAEIAQLM SLIINTFYSNKEIFLRELIS NSSDALDKIRYETLTDPSKL DSGKELHINLIPNKQDRTLT IVDTGIGMTKADLINNLGTI AKSGTKAFMEALQAGADISM IGQFGVGFYSAYLVAEKVTV ITKHNDDEQYAWESSAGGSF TVRTDTGEPMGRGTKVILHL KEDQTEYLEERRIKEIVKKH SQFIGYPITLFVEKERDKEV SDDEAE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 266 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation R46A _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 29934.477 _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 -29 MET . 34759 1 2 -28 GLY . 34759 1 3 -27 SER . 34759 1 4 -26 SER . 34759 1 5 -25 HIS . 34759 1 6 -24 HIS . 34759 1 7 -23 HIS . 34759 1 8 -22 HIS . 34759 1 9 -21 HIS . 34759 1 10 -20 HIS . 34759 1 11 -19 SER . 34759 1 12 -18 SER . 34759 1 13 -17 GLY . 34759 1 14 -16 LEU . 34759 1 15 -15 VAL . 34759 1 16 -14 PRO . 34759 1 17 -13 ARG . 34759 1 18 -12 GLY . 34759 1 19 -11 SER . 34759 1 20 -10 HIS . 34759 1 21 -9 ASN . 34759 1 22 -8 GLN . 34759 1 23 -7 THR . 34759 1 24 -6 SER . 34759 1 25 -5 LEU . 34759 1 26 -4 TYR . 34759 1 27 -3 LYS . 34759 1 28 -2 LYS . 34759 1 29 -1 ALA . 34759 1 30 0 GLY . 34759 1 31 1 PHE . 34759 1 32 2 GLU . 34759 1 33 3 ASN . 34759 1 34 4 LEU . 34759 1 35 5 TYR . 34759 1 36 6 PHE . 34759 1 37 7 GLN . 34759 1 38 8 GLY . 34759 1 39 9 ASP . 34759 1 40 10 GLN . 34759 1 41 11 PRO . 34759 1 42 12 MET . 34759 1 43 13 GLU . 34759 1 44 14 GLU . 34759 1 45 15 GLU . 34759 1 46 16 GLU . 34759 1 47 17 VAL . 34759 1 48 18 GLU . 34759 1 49 19 THR . 34759 1 50 20 PHE . 34759 1 51 21 ALA . 34759 1 52 22 PHE . 34759 1 53 23 GLN . 34759 1 54 24 ALA . 34759 1 55 25 GLU . 34759 1 56 26 ILE . 34759 1 57 27 ALA . 34759 1 58 28 GLN . 34759 1 59 29 LEU . 34759 1 60 30 MET . 34759 1 61 31 SER . 34759 1 62 32 LEU . 34759 1 63 33 ILE . 34759 1 64 34 ILE . 34759 1 65 35 ASN . 34759 1 66 36 THR . 34759 1 67 37 PHE . 34759 1 68 38 TYR . 34759 1 69 39 SER . 34759 1 70 40 ASN . 34759 1 71 41 LYS . 34759 1 72 42 GLU . 34759 1 73 43 ILE . 34759 1 74 44 PHE . 34759 1 75 45 LEU . 34759 1 76 46 ARG . 34759 1 77 47 GLU . 34759 1 78 48 LEU . 34759 1 79 49 ILE . 34759 1 80 50 SER . 34759 1 81 51 ASN . 34759 1 82 52 SER . 34759 1 83 53 SER . 34759 1 84 54 ASP . 34759 1 85 55 ALA . 34759 1 86 56 LEU . 34759 1 87 57 ASP . 34759 1 88 58 LYS . 34759 1 89 59 ILE . 34759 1 90 60 ARG . 34759 1 91 61 TYR . 34759 1 92 62 GLU . 34759 1 93 63 THR . 34759 1 94 64 LEU . 34759 1 95 65 THR . 34759 1 96 66 ASP . 34759 1 97 67 PRO . 34759 1 98 68 SER . 34759 1 99 69 LYS . 34759 1 100 70 LEU . 34759 1 101 71 ASP . 34759 1 102 72 SER . 34759 1 103 73 GLY . 34759 1 104 74 LYS . 34759 1 105 75 GLU . 34759 1 106 76 LEU . 34759 1 107 77 HIS . 34759 1 108 78 ILE . 34759 1 109 79 ASN . 34759 1 110 80 LEU . 34759 1 111 81 ILE . 34759 1 112 82 PRO . 34759 1 113 83 ASN . 34759 1 114 84 LYS . 34759 1 115 85 GLN . 34759 1 116 86 ASP . 34759 1 117 87 ARG . 34759 1 118 88 THR . 34759 1 119 89 LEU . 34759 1 120 90 THR . 34759 1 121 91 ILE . 34759 1 122 92 VAL . 34759 1 123 93 ASP . 34759 1 124 94 THR . 34759 1 125 95 GLY . 34759 1 126 96 ILE . 34759 1 127 97 GLY . 34759 1 128 98 MET . 34759 1 129 99 THR . 34759 1 130 100 LYS . 34759 1 131 101 ALA . 34759 1 132 102 ASP . 34759 1 133 103 LEU . 34759 1 134 104 ILE . 34759 1 135 105 ASN . 34759 1 136 106 ASN . 34759 1 137 107 LEU . 34759 1 138 108 GLY . 34759 1 139 109 THR . 34759 1 140 110 ILE . 34759 1 141 111 ALA . 34759 1 142 112 LYS . 34759 1 143 113 SER . 34759 1 144 114 GLY . 34759 1 145 115 THR . 34759 1 146 116 LYS . 34759 1 147 117 ALA . 34759 1 148 118 PHE . 34759 1 149 119 MET . 34759 1 150 120 GLU . 34759 1 151 121 ALA . 34759 1 152 122 LEU . 34759 1 153 123 GLN . 34759 1 154 124 ALA . 34759 1 155 125 GLY . 34759 1 156 126 ALA . 34759 1 157 127 ASP . 34759 1 158 128 ILE . 34759 1 159 129 SER . 34759 1 160 130 MET . 34759 1 161 131 ILE . 34759 1 162 132 GLY . 34759 1 163 133 GLN . 34759 1 164 134 PHE . 34759 1 165 135 GLY . 34759 1 166 136 VAL . 34759 1 167 137 GLY . 34759 1 168 138 PHE . 34759 1 169 139 TYR . 34759 1 170 140 SER . 34759 1 171 141 ALA . 34759 1 172 142 TYR . 34759 1 173 143 LEU . 34759 1 174 144 VAL . 34759 1 175 145 ALA . 34759 1 176 146 GLU . 34759 1 177 147 LYS . 34759 1 178 148 VAL . 34759 1 179 149 THR . 34759 1 180 150 VAL . 34759 1 181 151 ILE . 34759 1 182 152 THR . 34759 1 183 153 LYS . 34759 1 184 154 HIS . 34759 1 185 155 ASN . 34759 1 186 156 ASP . 34759 1 187 157 ASP . 34759 1 188 158 GLU . 34759 1 189 159 GLN . 34759 1 190 160 TYR . 34759 1 191 161 ALA . 34759 1 192 162 TRP . 34759 1 193 163 GLU . 34759 1 194 164 SER . 34759 1 195 165 SER . 34759 1 196 166 ALA . 34759 1 197 167 GLY . 34759 1 198 168 GLY . 34759 1 199 169 SER . 34759 1 200 170 PHE . 34759 1 201 171 THR . 34759 1 202 172 VAL . 34759 1 203 173 ARG . 34759 1 204 174 THR . 34759 1 205 175 ASP . 34759 1 206 176 THR . 34759 1 207 177 GLY . 34759 1 208 178 GLU . 34759 1 209 179 PRO . 34759 1 210 180 MET . 34759 1 211 181 GLY . 34759 1 212 182 ARG . 34759 1 213 183 GLY . 34759 1 214 184 THR . 34759 1 215 185 LYS . 34759 1 216 186 VAL . 34759 1 217 187 ILE . 34759 1 218 188 LEU . 34759 1 219 189 HIS . 34759 1 220 190 LEU . 34759 1 221 191 LYS . 34759 1 222 192 GLU . 34759 1 223 193 ASP . 34759 1 224 194 GLN . 34759 1 225 195 THR . 34759 1 226 196 GLU . 34759 1 227 197 TYR . 34759 1 228 198 LEU . 34759 1 229 199 GLU . 34759 1 230 200 GLU . 34759 1 231 201 ARG . 34759 1 232 202 ARG . 34759 1 233 203 ILE . 34759 1 234 204 LYS . 34759 1 235 205 GLU . 34759 1 236 206 ILE . 34759 1 237 207 VAL . 34759 1 238 208 LYS . 34759 1 239 209 LYS . 34759 1 240 210 HIS . 34759 1 241 211 SER . 34759 1 242 212 GLN . 34759 1 243 213 PHE . 34759 1 244 214 ILE . 34759 1 245 215 GLY . 34759 1 246 216 TYR . 34759 1 247 217 PRO . 34759 1 248 218 ILE . 34759 1 249 219 THR . 34759 1 250 220 LEU . 34759 1 251 221 PHE . 34759 1 252 222 VAL . 34759 1 253 223 GLU . 34759 1 254 224 LYS . 34759 1 255 225 GLU . 34759 1 256 226 ARG . 34759 1 257 227 ASP . 34759 1 258 228 LYS . 34759 1 259 229 GLU . 34759 1 260 230 VAL . 34759 1 261 231 SER . 34759 1 262 232 ASP . 34759 1 263 233 ASP . 34759 1 264 234 GLU . 34759 1 265 235 ALA . 34759 1 266 236 GLU . 34759 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 34759 1 . GLY 2 2 34759 1 . SER 3 3 34759 1 . SER 4 4 34759 1 . HIS 5 5 34759 1 . HIS 6 6 34759 1 . HIS 7 7 34759 1 . HIS 8 8 34759 1 . HIS 9 9 34759 1 . HIS 10 10 34759 1 . SER 11 11 34759 1 . SER 12 12 34759 1 . GLY 13 13 34759 1 . LEU 14 14 34759 1 . VAL 15 15 34759 1 . PRO 16 16 34759 1 . ARG 17 17 34759 1 . GLY 18 18 34759 1 . SER 19 19 34759 1 . HIS 20 20 34759 1 . ASN 21 21 34759 1 . GLN 22 22 34759 1 . THR 23 23 34759 1 . SER 24 24 34759 1 . LEU 25 25 34759 1 . TYR 26 26 34759 1 . LYS 27 27 34759 1 . LYS 28 28 34759 1 . ALA 29 29 34759 1 . GLY 30 30 34759 1 . PHE 31 31 34759 1 . GLU 32 32 34759 1 . ASN 33 33 34759 1 . LEU 34 34 34759 1 . TYR 35 35 34759 1 . PHE 36 36 34759 1 . GLN 37 37 34759 1 . GLY 38 38 34759 1 . ASP 39 39 34759 1 . GLN 40 40 34759 1 . PRO 41 41 34759 1 . MET 42 42 34759 1 . GLU 43 43 34759 1 . GLU 44 44 34759 1 . GLU 45 45 34759 1 . GLU 46 46 34759 1 . VAL 47 47 34759 1 . GLU 48 48 34759 1 . THR 49 49 34759 1 . PHE 50 50 34759 1 . ALA 51 51 34759 1 . PHE 52 52 34759 1 . GLN 53 53 34759 1 . ALA 54 54 34759 1 . GLU 55 55 34759 1 . ILE 56 56 34759 1 . ALA 57 57 34759 1 . GLN 58 58 34759 1 . LEU 59 59 34759 1 . MET 60 60 34759 1 . SER 61 61 34759 1 . LEU 62 62 34759 1 . ILE 63 63 34759 1 . ILE 64 64 34759 1 . ASN 65 65 34759 1 . THR 66 66 34759 1 . PHE 67 67 34759 1 . TYR 68 68 34759 1 . SER 69 69 34759 1 . ASN 70 70 34759 1 . LYS 71 71 34759 1 . GLU 72 72 34759 1 . ILE 73 73 34759 1 . PHE 74 74 34759 1 . LEU 75 75 34759 1 . ARG 76 76 34759 1 . GLU 77 77 34759 1 . LEU 78 78 34759 1 . ILE 79 79 34759 1 . SER 80 80 34759 1 . ASN 81 81 34759 1 . SER 82 82 34759 1 . SER 83 83 34759 1 . ASP 84 84 34759 1 . ALA 85 85 34759 1 . LEU 86 86 34759 1 . ASP 87 87 34759 1 . LYS 88 88 34759 1 . ILE 89 89 34759 1 . ARG 90 90 34759 1 . TYR 91 91 34759 1 . GLU 92 92 34759 1 . THR 93 93 34759 1 . LEU 94 94 34759 1 . THR 95 95 34759 1 . ASP 96 96 34759 1 . PRO 97 97 34759 1 . SER 98 98 34759 1 . LYS 99 99 34759 1 . LEU 100 100 34759 1 . ASP 101 101 34759 1 . SER 102 102 34759 1 . GLY 103 103 34759 1 . LYS 104 104 34759 1 . GLU 105 105 34759 1 . LEU 106 106 34759 1 . HIS 107 107 34759 1 . ILE 108 108 34759 1 . ASN 109 109 34759 1 . LEU 110 110 34759 1 . ILE 111 111 34759 1 . PRO 112 112 34759 1 . ASN 113 113 34759 1 . LYS 114 114 34759 1 . GLN 115 115 34759 1 . ASP 116 116 34759 1 . ARG 117 117 34759 1 . THR 118 118 34759 1 . LEU 119 119 34759 1 . THR 120 120 34759 1 . ILE 121 121 34759 1 . VAL 122 122 34759 1 . ASP 123 123 34759 1 . THR 124 124 34759 1 . GLY 125 125 34759 1 . ILE 126 126 34759 1 . GLY 127 127 34759 1 . MET 128 128 34759 1 . THR 129 129 34759 1 . LYS 130 130 34759 1 . ALA 131 131 34759 1 . ASP 132 132 34759 1 . LEU 133 133 34759 1 . ILE 134 134 34759 1 . ASN 135 135 34759 1 . ASN 136 136 34759 1 . LEU 137 137 34759 1 . GLY 138 138 34759 1 . THR 139 139 34759 1 . ILE 140 140 34759 1 . ALA 141 141 34759 1 . LYS 142 142 34759 1 . SER 143 143 34759 1 . GLY 144 144 34759 1 . THR 145 145 34759 1 . LYS 146 146 34759 1 . ALA 147 147 34759 1 . PHE 148 148 34759 1 . MET 149 149 34759 1 . GLU 150 150 34759 1 . ALA 151 151 34759 1 . LEU 152 152 34759 1 . GLN 153 153 34759 1 . ALA 154 154 34759 1 . GLY 155 155 34759 1 . ALA 156 156 34759 1 . ASP 157 157 34759 1 . ILE 158 158 34759 1 . SER 159 159 34759 1 . MET 160 160 34759 1 . ILE 161 161 34759 1 . GLY 162 162 34759 1 . GLN 163 163 34759 1 . PHE 164 164 34759 1 . GLY 165 165 34759 1 . VAL 166 166 34759 1 . GLY 167 167 34759 1 . PHE 168 168 34759 1 . TYR 169 169 34759 1 . SER 170 170 34759 1 . ALA 171 171 34759 1 . TYR 172 172 34759 1 . LEU 173 173 34759 1 . VAL 174 174 34759 1 . ALA 175 175 34759 1 . GLU 176 176 34759 1 . LYS 177 177 34759 1 . VAL 178 178 34759 1 . THR 179 179 34759 1 . VAL 180 180 34759 1 . ILE 181 181 34759 1 . THR 182 182 34759 1 . LYS 183 183 34759 1 . HIS 184 184 34759 1 . ASN 185 185 34759 1 . ASP 186 186 34759 1 . ASP 187 187 34759 1 . GLU 188 188 34759 1 . GLN 189 189 34759 1 . TYR 190 190 34759 1 . ALA 191 191 34759 1 . TRP 192 192 34759 1 . GLU 193 193 34759 1 . SER 194 194 34759 1 . SER 195 195 34759 1 . ALA 196 196 34759 1 . GLY 197 197 34759 1 . GLY 198 198 34759 1 . SER 199 199 34759 1 . PHE 200 200 34759 1 . THR 201 201 34759 1 . VAL 202 202 34759 1 . ARG 203 203 34759 1 . THR 204 204 34759 1 . ASP 205 205 34759 1 . THR 206 206 34759 1 . GLY 207 207 34759 1 . GLU 208 208 34759 1 . PRO 209 209 34759 1 . MET 210 210 34759 1 . GLY 211 211 34759 1 . ARG 212 212 34759 1 . GLY 213 213 34759 1 . THR 214 214 34759 1 . LYS 215 215 34759 1 . VAL 216 216 34759 1 . ILE 217 217 34759 1 . LEU 218 218 34759 1 . HIS 219 219 34759 1 . LEU 220 220 34759 1 . LYS 221 221 34759 1 . GLU 222 222 34759 1 . ASP 223 223 34759 1 . GLN 224 224 34759 1 . THR 225 225 34759 1 . GLU 226 226 34759 1 . TYR 227 227 34759 1 . LEU 228 228 34759 1 . GLU 229 229 34759 1 . GLU 230 230 34759 1 . ARG 231 231 34759 1 . ARG 232 232 34759 1 . ILE 233 233 34759 1 . LYS 234 234 34759 1 . GLU 235 235 34759 1 . ILE 236 236 34759 1 . VAL 237 237 34759 1 . LYS 238 238 34759 1 . LYS 239 239 34759 1 . HIS 240 240 34759 1 . SER 241 241 34759 1 . GLN 242 242 34759 1 . PHE 243 243 34759 1 . ILE 244 244 34759 1 . GLY 245 245 34759 1 . TYR 246 246 34759 1 . PRO 247 247 34759 1 . ILE 248 248 34759 1 . THR 249 249 34759 1 . LEU 250 250 34759 1 . PHE 251 251 34759 1 . VAL 252 252 34759 1 . GLU 253 253 34759 1 . LYS 254 254 34759 1 . GLU 255 255 34759 1 . ARG 256 256 34759 1 . ASP 257 257 34759 1 . LYS 258 258 34759 1 . GLU 259 259 34759 1 . VAL 260 260 34759 1 . SER 261 261 34759 1 . ASP 262 262 34759 1 . ASP 263 263 34759 1 . GLU 264 264 34759 1 . ALA 265 265 34759 1 . GLU 266 266 34759 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 34759 _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 . . . . . . . . . . . HSP90AA1 . 34759 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 34759 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli BL21(DE3)' . . 469008 . . . RIL . . . . pET-28 . . . 34759 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34759 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.5 mM [U-15N; U-2H; 13C(1H)3 ALA-b, ILE-d1, LEU-d2, MET-e, THR-g, VAL-g2] HSP90 alpha NTD, 150 mM Na+, 150 mM Cl-, 1 mM TCEP, 20 mM [U-2H] HEPES, 100% D2O ; _Sample.Aggregate_sample_number . _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 'HSP90 alpha NTD' '[U-15N; U-2H; 13C(1H)3 ALA-b, ILE-d1, LEU-d2, MET-e, THR-g, VAL-g2]' . . 1 $entity_1 . . 0.5 . . mM . . . . 34759 1 2 Na+ 'natural abundance' . . . . . . 150 . . mM . . . . 34759 1 3 Cl- 'natural abundance' . . . . . . 150 . . mM . . . . 34759 1 4 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 34759 1 5 HEPES [U-2H] . . . . . . 20 . . mM . . . . 34759 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34759 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.5 mM [U-15N; U-2H; LEU U-13C, U-2H, 13C(1H)3d2, 12C(2H)3d1; VAL U-13C, U-2H, 13C(1H)3g2, 12C(2H)3g1; ILE U-13C, U-2H, 13C(1H)3d1, 12C(2H)3g2] HSP90 alpha NTD, 150 mM Na+, 150 mM Cl-, 1 mM TCEP, 20 mM [U-2H] HEPES, 100% D2O ; _Sample.Aggregate_sample_number . _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 'HSP90 alpha NTD' ; [U-15N; U-2H; LEU U-13C, U-2H, 13C(1H)3d2, 12C(2H)3d1; VAL U-13C, U-2H, 13C(1H)3g2, 12C(2H)3g1; ILE U-13C, U-2H, 13C(1H)3d1, 12C(2H)3g2] ; . . 1 $entity_1 . . 0.5 . . mM . . . . 34759 2 2 Na+ 'natural abundance' . . . . . . 150 . . mM . . . . 34759 2 3 Cl- 'natural abundance' . . . . . . 150 . . mM . . . . 34759 2 4 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 34759 2 5 HEPES [U-2H] . . . . . . 20 . . mM . . . . 34759 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 34759 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.5 mM [U-15N, THR U-13C, ALA U-13C] HSP90 alpha NTD, 150 mM Na+, 150 mM Cl-, 1 mM TCEP, 20 mM HEPES, 100% D2O' _Sample.Aggregate_sample_number . _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 'HSP90 alpha NTD' '[U-15N, THR U-13C, ALA U-13C]' . . 1 $entity_1 . . 0.5 . . mM . . . . 34759 3 2 Na+ 'natural abundance' . . . . . . 150 . . mM . . . . 34759 3 3 Cl- 'natural abundance' . . . . . . 150 . . mM . . . . 34759 3 4 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 34759 3 5 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 34759 3 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 34759 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 150 . mM 34759 1 pH 7.5 . pH 34759 1 pressure 1 . bar 34759 1 temperature 288 . K 34759 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34759 _Software.ID 1 _Software.Type . _Software.Name CNS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 34759 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34759 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34759 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version 3.98.13 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34759 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34759 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34759 _Software.ID 3 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version 2.5.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 34759 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34759 3 'peak picking' . 34759 3 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 34759 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details '5 mm Cryogenic Probes head' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34759 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details '5 mm Cryogenic Probes head' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 34759 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name . _NMR_spectrometer.Details '5 mm Cryogenic Probes head' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34759 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'AVANCE III HD' . 950 . . . 34759 1 2 NMR_spectrometer_2 Bruker 'AVANCE III HD' . 850 . . . 34759 1 3 NMR_spectrometer_3 Bruker 'AVANCE III HD' . 600 . . . 34759 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 34759 _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 '3D 1H-13C NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34759 1 2 '3D HCC-COSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34759 1 3 '2D Methyl-TROSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 34759 1 4 '3D HCC-COSY' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 34759 1 5 '3D HC(C)C-COSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 34759 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 34759 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 0.000 na indirect 0.251449530 . . . . . 34759 1 H 1 DSS protons . . . . ppm 0.000 na direct 1.0 . . . . . 34759 1 N 15 DSS nitrogen . . . . ppm 0.000 na indirect 0.101329118 . . . . . 34759 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 34759 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 '3D 1H-13C NOESY' . . . 34759 1 2 '3D HCC-COSY' . . . 34759 1 3 '2D Methyl-TROSY' . . . 34759 1 4 '3D HCC-COSY' . . . 34759 1 5 '3D HC(C)C-COSY' . . . 34759 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 42 42 MET HE1 H 1 2.12 0.05 . 1 . . . . A 12 MET HE1 . 34759 1 2 . 1 . 1 42 42 MET HE2 H 1 2.12 0.05 . 1 . . . . A 12 MET HE2 . 34759 1 3 . 1 . 1 42 42 MET HE3 H 1 2.12 0.05 . 1 . . . . A 12 MET HE3 . 34759 1 4 . 1 . 1 42 42 MET CE C 13 17.03 0.05 . 1 . . . . A 12 MET CE . 34759 1 5 . 1 . 1 47 47 VAL H H 1 8.06 0.05 . 1 . . . . A 17 VAL H . 34759 1 6 . 1 . 1 47 47 VAL HG21 H 1 0.89 0.05 . 1 . . . . A 17 VAL HG21 . 34759 1 7 . 1 . 1 47 47 VAL HG22 H 1 0.89 0.05 . 1 . . . . A 17 VAL HG22 . 34759 1 8 . 1 . 1 47 47 VAL HG23 H 1 0.89 0.05 . 1 . . . . A 17 VAL HG23 . 34759 1 9 . 1 . 1 47 47 VAL C C 13 175.44 0.05 . 1 . . . . A 17 VAL C . 34759 1 10 . 1 . 1 47 47 VAL CA C 13 61.8 0.05 . 1 . . . . A 17 VAL CA . 34759 1 11 . 1 . 1 47 47 VAL CB C 13 34.0 0.05 . 1 . . . . A 17 VAL CB . 34759 1 12 . 1 . 1 47 47 VAL CG2 C 13 21.07 0.05 . 1 . . . . A 17 VAL CG2 . 34759 1 13 . 1 . 1 47 47 VAL N N 15 120.81 0.05 . 1 . . . . A 17 VAL N . 34759 1 14 . 1 . 1 48 48 GLU H H 1 8.49 0.05 . 1 . . . . A 18 GLU H . 34759 1 15 . 1 . 1 48 48 GLU C C 13 174.71 0.05 . 1 . . . . A 18 GLU C . 34759 1 16 . 1 . 1 48 48 GLU CA C 13 55.98 0.05 . 1 . . . . A 18 GLU CA . 34759 1 17 . 1 . 1 48 48 GLU CB C 13 33.46 0.05 . 1 . . . . A 18 GLU CB . 34759 1 18 . 1 . 1 48 48 GLU N N 15 126.19 0.05 . 1 . . . . A 18 GLU N . 34759 1 19 . 1 . 1 49 49 THR H H 1 7.98 0.05 . 1 . . . . A 19 THR H . 34759 1 20 . 1 . 1 49 49 THR HG21 H 1 0.92 0.05 . 1 . . . . A 19 THR HG21 . 34759 1 21 . 1 . 1 49 49 THR HG22 H 1 0.92 0.05 . 1 . . . . A 19 THR HG22 . 34759 1 22 . 1 . 1 49 49 THR HG23 H 1 0.92 0.05 . 1 . . . . A 19 THR HG23 . 34759 1 23 . 1 . 1 49 49 THR C C 13 173.13 0.05 . 1 . . . . A 19 THR C . 34759 1 24 . 1 . 1 49 49 THR CA C 13 62.09 0.05 . 1 . . . . A 19 THR CA . 34759 1 25 . 1 . 1 49 49 THR CB C 13 69.98 0.05 . 1 . . . . A 19 THR CB . 34759 1 26 . 1 . 1 49 49 THR CG2 C 13 21.10 0.05 . 1 . . . . A 19 THR CG2 . 34759 1 27 . 1 . 1 49 49 THR N N 15 118.40 0.05 . 1 . . . . A 19 THR N . 34759 1 28 . 1 . 1 50 50 PHE H H 1 8.73 0.05 . 1 . . . . A 20 PHE H . 34759 1 29 . 1 . 1 50 50 PHE C C 13 173.86 0.05 . 1 . . . . A 20 PHE C . 34759 1 30 . 1 . 1 50 50 PHE CA C 13 56.09 0.05 . 1 . . . . A 20 PHE CA . 34759 1 31 . 1 . 1 50 50 PHE CB C 13 42.29 0.05 . 1 . . . . A 20 PHE CB . 34759 1 32 . 1 . 1 50 50 PHE N N 15 125.12 0.05 . 1 . . . . A 20 PHE N . 34759 1 33 . 1 . 1 51 51 ALA H H 1 8.29 0.05 . 1 . . . . A 21 ALA H . 34759 1 34 . 1 . 1 51 51 ALA HB1 H 1 1.36 0.05 . 1 . . . . A 21 ALA HB1 . 34759 1 35 . 1 . 1 51 51 ALA HB2 H 1 1.36 0.05 . 1 . . . . A 21 ALA HB2 . 34759 1 36 . 1 . 1 51 51 ALA HB3 H 1 1.36 0.05 . 1 . . . . A 21 ALA HB3 . 34759 1 37 . 1 . 1 51 51 ALA C C 13 179.41 0.05 . 1 . . . . A 21 ALA C . 34759 1 38 . 1 . 1 51 51 ALA CA C 13 50.91 0.05 . 1 . . . . A 21 ALA CA . 34759 1 39 . 1 . 1 51 51 ALA CB C 13 19.64 0.05 . 1 . . . . A 21 ALA CB . 34759 1 40 . 1 . 1 51 51 ALA N N 15 122.23 0.05 . 1 . . . . A 21 ALA N . 34759 1 41 . 1 . 1 52 52 PHE H H 1 7.71 0.05 . 1 . . . . A 22 PHE H . 34759 1 42 . 1 . 1 52 52 PHE C C 13 177.60 0.05 . 1 . . . . A 22 PHE C . 34759 1 43 . 1 . 1 52 52 PHE CA C 13 60.04 0.05 . 1 . . . . A 22 PHE CA . 34759 1 44 . 1 . 1 52 52 PHE CB C 13 40.69 0.05 . 1 . . . . A 22 PHE CB . 34759 1 45 . 1 . 1 52 52 PHE N N 15 118.47 0.05 . 1 . . . . A 22 PHE N . 34759 1 46 . 1 . 1 53 53 GLN H H 1 8.80 0.05 . 1 . . . . A 23 GLN H . 34759 1 47 . 1 . 1 53 53 GLN C C 13 178.13 0.05 . 1 . . . . A 23 GLN C . 34759 1 48 . 1 . 1 53 53 GLN CA C 13 57.87 0.05 . 1 . . . . A 23 GLN CA . 34759 1 49 . 1 . 1 53 53 GLN CB C 13 27.28 0.05 . 1 . . . . A 23 GLN CB . 34759 1 50 . 1 . 1 53 53 GLN N N 15 123.38 0.05 . 1 . . . . A 23 GLN N . 34759 1 51 . 1 . 1 54 54 ALA H H 1 8.88 0.05 . 1 . . . . A 24 ALA H . 34759 1 52 . 1 . 1 54 54 ALA HB1 H 1 1.49 0.05 . 1 . . . . A 24 ALA HB1 . 34759 1 53 . 1 . 1 54 54 ALA HB2 H 1 1.49 0.05 . 1 . . . . A 24 ALA HB2 . 34759 1 54 . 1 . 1 54 54 ALA HB3 H 1 1.49 0.05 . 1 . . . . A 24 ALA HB3 . 34759 1 55 . 1 . 1 54 54 ALA C C 13 180.36 0.05 . 1 . . . . A 24 ALA C . 34759 1 56 . 1 . 1 54 54 ALA CA C 13 56.96 0.05 . 1 . . . . A 24 ALA CA . 34759 1 57 . 1 . 1 54 54 ALA CB C 13 19.07 0.05 . 1 . . . . A 24 ALA CB . 34759 1 58 . 1 . 1 54 54 ALA N N 15 126.66 0.05 . 1 . . . . A 24 ALA N . 34759 1 59 . 1 . 1 56 56 ILE HD11 H 1 0.90 0.05 . 1 . . . . A 26 ILE HD11 . 34759 1 60 . 1 . 1 56 56 ILE HD12 H 1 0.90 0.05 . 1 . . . . A 26 ILE HD12 . 34759 1 61 . 1 . 1 56 56 ILE HD13 H 1 0.90 0.05 . 1 . . . . A 26 ILE HD13 . 34759 1 62 . 1 . 1 56 56 ILE CB C 13 36.91 0.05 . 1 . . . . A 26 ILE CB . 34759 1 63 . 1 . 1 56 56 ILE CD1 C 13 11.88 0.05 . 1 . . . . A 26 ILE CD1 . 34759 1 64 . 1 . 1 57 57 ALA HB1 H 1 1.48 0.05 . 1 . . . . A 27 ALA HB1 . 34759 1 65 . 1 . 1 57 57 ALA HB2 H 1 1.48 0.05 . 1 . . . . A 27 ALA HB2 . 34759 1 66 . 1 . 1 57 57 ALA HB3 H 1 1.48 0.05 . 1 . . . . A 27 ALA HB3 . 34759 1 67 . 1 . 1 57 57 ALA CA C 13 55.62 0.05 . 1 . . . . A 27 ALA CA . 34759 1 68 . 1 . 1 57 57 ALA CB C 13 17.56 0.05 . 1 . . . . A 27 ALA CB . 34759 1 69 . 1 . 1 58 58 GLN C C 13 178.77 0.05 . 1 . . . . A 28 GLN C . 34759 1 70 . 1 . 1 58 58 GLN CA C 13 59.09 0.05 . 1 . . . . A 28 GLN CA . 34759 1 71 . 1 . 1 58 58 GLN CB C 13 28.37 0.05 . 1 . . . . A 28 GLN CB . 34759 1 72 . 1 . 1 59 59 LEU H H 1 8.13 0.05 . 1 . . . . A 29 LEU H . 34759 1 73 . 1 . 1 59 59 LEU HD21 H 1 0.88 0.05 . 1 . . . . A 29 LEU HD21 . 34759 1 74 . 1 . 1 59 59 LEU HD22 H 1 0.88 0.05 . 1 . . . . A 29 LEU HD22 . 34759 1 75 . 1 . 1 59 59 LEU HD23 H 1 0.88 0.05 . 1 . . . . A 29 LEU HD23 . 34759 1 76 . 1 . 1 59 59 LEU C C 13 178.42 0.05 . 1 . . . . A 29 LEU C . 34759 1 77 . 1 . 1 59 59 LEU CA C 13 58.43 0.05 . 1 . . . . A 29 LEU CA . 34759 1 78 . 1 . 1 59 59 LEU CB C 13 41.13 0.05 . 1 . . . . A 29 LEU CB . 34759 1 79 . 1 . 1 59 59 LEU CD2 C 13 26.65 0.05 . 1 . . . . A 29 LEU CD2 . 34759 1 80 . 1 . 1 59 59 LEU N N 15 123.17 0.05 . 1 . . . . A 29 LEU N . 34759 1 81 . 1 . 1 60 60 MET H H 1 8.37 0.05 . 1 . . . . A 30 MET H . 34759 1 82 . 1 . 1 60 60 MET HE1 H 1 1.43 0.05 . 1 . . . . A 30 MET HE1 . 34759 1 83 . 1 . 1 60 60 MET HE2 H 1 1.43 0.05 . 1 . . . . A 30 MET HE2 . 34759 1 84 . 1 . 1 60 60 MET HE3 H 1 1.43 0.05 . 1 . . . . A 30 MET HE3 . 34759 1 85 . 1 . 1 60 60 MET C C 13 177.24 0.05 . 1 . . . . A 30 MET C . 34759 1 86 . 1 . 1 60 60 MET CA C 13 60.79 0.05 . 1 . . . . A 30 MET CA . 34759 1 87 . 1 . 1 60 60 MET CB C 13 33.65 0.05 . 1 . . . . A 30 MET CB . 34759 1 88 . 1 . 1 60 60 MET CE C 13 17.03 0.05 . 1 . . . . A 30 MET CE . 34759 1 89 . 1 . 1 60 60 MET N N 15 116.70 0.05 . 1 . . . . A 30 MET N . 34759 1 90 . 1 . 1 61 61 SER H H 1 7.66 0.05 . 1 . . . . A 31 SER H . 34759 1 91 . 1 . 1 61 61 SER CA C 13 61.67 0.05 . 1 . . . . A 31 SER CA . 34759 1 92 . 1 . 1 61 61 SER CB C 13 62.85 0.05 . 1 . . . . A 31 SER CB . 34759 1 93 . 1 . 1 61 61 SER N N 15 111.70 0.05 . 1 . . . . A 31 SER N . 34759 1 94 . 1 . 1 62 62 LEU H H 1 7.85 0.05 . 1 . . . . A 32 LEU H . 34759 1 95 . 1 . 1 62 62 LEU HD21 H 1 0.79 0.05 . 1 . . . . A 32 LEU HD21 . 34759 1 96 . 1 . 1 62 62 LEU HD22 H 1 0.79 0.05 . 1 . . . . A 32 LEU HD22 . 34759 1 97 . 1 . 1 62 62 LEU HD23 H 1 0.79 0.05 . 1 . . . . A 32 LEU HD23 . 34759 1 98 . 1 . 1 62 62 LEU C C 13 180.19 0.05 . 1 . . . . A 32 LEU C . 34759 1 99 . 1 . 1 62 62 LEU CA C 13 58.36 0.05 . 1 . . . . A 32 LEU CA . 34759 1 100 . 1 . 1 62 62 LEU CB C 13 42.31 0.05 . 1 . . . . A 32 LEU CB . 34759 1 101 . 1 . 1 62 62 LEU CD2 C 13 24.84 0.05 . 1 . . . . A 32 LEU CD2 . 34759 1 102 . 1 . 1 62 62 LEU N N 15 121.93 0.05 . 1 . . . . A 32 LEU N . 34759 1 103 . 1 . 1 63 63 ILE HD11 H 1 0.65 0.05 . 1 . . . . A 33 ILE HD11 . 34759 1 104 . 1 . 1 63 63 ILE HD12 H 1 0.65 0.05 . 1 . . . . A 33 ILE HD12 . 34759 1 105 . 1 . 1 63 63 ILE HD13 H 1 0.65 0.05 . 1 . . . . A 33 ILE HD13 . 34759 1 106 . 1 . 1 63 63 ILE C C 13 176.9 0.05 . 1 . . . . A 33 ILE C . 34759 1 107 . 1 . 1 63 63 ILE CA C 13 65.27 0.05 . 1 . . . . A 33 ILE CA . 34759 1 108 . 1 . 1 63 63 ILE CB C 13 38.18 0.05 . 1 . . . . A 33 ILE CB . 34759 1 109 . 1 . 1 63 63 ILE CD1 C 13 13.65 0.05 . 1 . . . . A 33 ILE CD1 . 34759 1 110 . 1 . 1 64 64 ILE H H 1 8.16 0.05 . 1 . . . . A 34 ILE H . 34759 1 111 . 1 . 1 64 64 ILE HD11 H 1 0.84 0.05 . 1 . . . . A 34 ILE HD11 . 34759 1 112 . 1 . 1 64 64 ILE HD12 H 1 0.84 0.05 . 1 . . . . A 34 ILE HD12 . 34759 1 113 . 1 . 1 64 64 ILE HD13 H 1 0.84 0.05 . 1 . . . . A 34 ILE HD13 . 34759 1 114 . 1 . 1 64 64 ILE C C 13 177.91 0.05 . 1 . . . . A 34 ILE C . 34759 1 115 . 1 . 1 64 64 ILE CA C 13 64.86 0.05 . 1 . . . . A 34 ILE CA . 34759 1 116 . 1 . 1 64 64 ILE CB C 13 39.29 0.05 . 1 . . . . A 34 ILE CB . 34759 1 117 . 1 . 1 64 64 ILE CD1 C 13 14.41 0.05 . 1 . . . . A 34 ILE CD1 . 34759 1 118 . 1 . 1 64 64 ILE N N 15 116.52 0.05 . 1 . . . . A 34 ILE N . 34759 1 119 . 1 . 1 65 65 ASN H H 1 7.72 0.05 . 1 . . . . A 35 ASN H . 34759 1 120 . 1 . 1 65 65 ASN C C 13 175.37 0.05 . 1 . . . . A 35 ASN C . 34759 1 121 . 1 . 1 65 65 ASN CA C 13 54.51 0.05 . 1 . . . . A 35 ASN CA . 34759 1 122 . 1 . 1 65 65 ASN CB C 13 40.35 0.05 . 1 . . . . A 35 ASN CB . 34759 1 123 . 1 . 1 65 65 ASN N N 15 114.45 0.05 . 1 . . . . A 35 ASN N . 34759 1 124 . 1 . 1 66 66 THR H H 1 7.35 0.05 . 1 . . . . A 36 THR H . 34759 1 125 . 1 . 1 66 66 THR HG21 H 1 1.00 0.05 . 1 . . . . A 36 THR HG21 . 34759 1 126 . 1 . 1 66 66 THR HG22 H 1 1.00 0.05 . 1 . . . . A 36 THR HG22 . 34759 1 127 . 1 . 1 66 66 THR HG23 H 1 1.00 0.05 . 1 . . . . A 36 THR HG23 . 34759 1 128 . 1 . 1 66 66 THR C C 13 173.06 0.05 . 1 . . . . A 36 THR C . 34759 1 129 . 1 . 1 66 66 THR CA C 13 63.00 0.05 . 1 . . . . A 36 THR CA . 34759 1 130 . 1 . 1 66 66 THR CB C 13 69.87 0.05 . 1 . . . . A 36 THR CB . 34759 1 131 . 1 . 1 66 66 THR CG2 C 13 20.89 0.05 . 1 . . . . A 36 THR CG2 . 34759 1 132 . 1 . 1 66 66 THR N N 15 116.71 0.05 . 1 . . . . A 36 THR N . 34759 1 133 . 1 . 1 70 70 ASN C C 13 174.97 0.05 . 1 . . . . A 40 ASN C . 34759 1 134 . 1 . 1 70 70 ASN CA C 13 52.35 0.05 . 1 . . . . A 40 ASN CA . 34759 1 135 . 1 . 1 70 70 ASN CB C 13 37.61 0.05 . 1 . . . . A 40 ASN CB . 34759 1 136 . 1 . 1 71 71 LYS H H 1 7.93 0.05 . 1 . . . . A 41 LYS H . 34759 1 137 . 1 . 1 71 71 LYS C C 13 177.20 0.05 . 1 . . . . A 41 LYS C . 34759 1 138 . 1 . 1 71 71 LYS CA C 13 59.45 0.05 . 1 . . . . A 41 LYS CA . 34759 1 139 . 1 . 1 71 71 LYS CB C 13 32.97 0.05 . 1 . . . . A 41 LYS CB . 34759 1 140 . 1 . 1 71 71 LYS N N 15 117.13 0.05 . 1 . . . . A 41 LYS N . 34759 1 141 . 1 . 1 72 72 GLU H H 1 8.43 0.05 . 1 . . . . A 42 GLU H . 34759 1 142 . 1 . 1 72 72 GLU C C 13 175.71 0.05 . 1 . . . . A 42 GLU C . 34759 1 143 . 1 . 1 72 72 GLU CA C 13 58.48 0.05 . 1 . . . . A 42 GLU CA . 34759 1 144 . 1 . 1 72 72 GLU CB C 13 29.33 0.05 . 1 . . . . A 42 GLU CB . 34759 1 145 . 1 . 1 72 72 GLU N N 15 114.36 0.05 . 1 . . . . A 42 GLU N . 34759 1 146 . 1 . 1 73 73 ILE H H 1 6.90 0.05 . 1 . . . . A 43 ILE H . 34759 1 147 . 1 . 1 73 73 ILE HD11 H 1 0.70 0.05 . 1 . . . . A 43 ILE HD11 . 34759 1 148 . 1 . 1 73 73 ILE HD12 H 1 0.70 0.05 . 1 . . . . A 43 ILE HD12 . 34759 1 149 . 1 . 1 73 73 ILE HD13 H 1 0.70 0.05 . 1 . . . . A 43 ILE HD13 . 34759 1 150 . 1 . 1 73 73 ILE C C 13 176.69 0.05 . 1 . . . . A 43 ILE C . 34759 1 151 . 1 . 1 73 73 ILE CA C 13 62.64 0.05 . 1 . . . . A 43 ILE CA . 34759 1 152 . 1 . 1 73 73 ILE CB C 13 38.52 0.05 . 1 . . . . A 43 ILE CB . 34759 1 153 . 1 . 1 73 73 ILE CD1 C 13 15.43 0.05 . 1 . . . . A 43 ILE CD1 . 34759 1 154 . 1 . 1 73 73 ILE N N 15 112.39 0.05 . 1 . . . . A 43 ILE N . 34759 1 155 . 1 . 1 74 74 PHE H H 1 7.99 0.05 . 1 . . . . A 44 PHE H . 34759 1 156 . 1 . 1 74 74 PHE C C 13 176.21 0.05 . 1 . . . . A 44 PHE C . 34759 1 157 . 1 . 1 74 74 PHE CA C 13 59.63 0.05 . 1 . . . . A 44 PHE CA . 34759 1 158 . 1 . 1 74 74 PHE N N 15 120.28 0.05 . 1 . . . . A 44 PHE N . 34759 1 159 . 1 . 1 75 75 LEU HD21 H 1 0.72 0.05 . 1 . . . . A 45 LEU HD21 . 34759 1 160 . 1 . 1 75 75 LEU HD22 H 1 0.72 0.05 . 1 . . . . A 45 LEU HD22 . 34759 1 161 . 1 . 1 75 75 LEU HD23 H 1 0.72 0.05 . 1 . . . . A 45 LEU HD23 . 34759 1 162 . 1 . 1 75 75 LEU C C 13 178.37 0.05 . 1 . . . . A 45 LEU C . 34759 1 163 . 1 . 1 75 75 LEU CA C 13 56.59 0.05 . 1 . . . . A 45 LEU CA . 34759 1 164 . 1 . 1 75 75 LEU CB C 13 40.96 0.05 . 1 . . . . A 45 LEU CB . 34759 1 165 . 1 . 1 75 75 LEU CD2 C 13 25.95 0.05 . 1 . . . . A 45 LEU CD2 . 34759 1 166 . 1 . 1 76 76 ARG H H 1 6.49 0.05 . 1 . . . . A 46 ARG H . 34759 1 167 . 1 . 1 76 76 ARG C C 13 179.26 0.05 . 1 . . . . A 46 ARG C . 34759 1 168 . 1 . 1 76 76 ARG CA C 13 58.83 0.05 . 1 . . . . A 46 ARG CA . 34759 1 169 . 1 . 1 76 76 ARG CB C 13 29.46 0.05 . 1 . . . . A 46 ARG CB . 34759 1 170 . 1 . 1 76 76 ARG N N 15 117.34 0.05 . 1 . . . . A 46 ARG N . 34759 1 171 . 1 . 1 77 77 GLU H H 1 7.74 0.05 . 1 . . . . A 47 GLU H . 34759 1 172 . 1 . 1 77 77 GLU C C 13 179.60 0.05 . 1 . . . . A 47 GLU C . 34759 1 173 . 1 . 1 77 77 GLU CA C 13 58.42 0.05 . 1 . . . . A 47 GLU CA . 34759 1 174 . 1 . 1 77 77 GLU CB C 13 28.68 0.05 . 1 . . . . A 47 GLU CB . 34759 1 175 . 1 . 1 77 77 GLU N N 15 116.77 0.05 . 1 . . . . A 47 GLU N . 34759 1 176 . 1 . 1 78 78 LEU H H 1 7.91 0.05 . 1 . . . . A 48 LEU H . 34759 1 177 . 1 . 1 78 78 LEU HD21 H 1 0.92 0.05 . 1 . . . . A 48 LEU HD21 . 34759 1 178 . 1 . 1 78 78 LEU HD22 H 1 0.92 0.05 . 1 . . . . A 48 LEU HD22 . 34759 1 179 . 1 . 1 78 78 LEU HD23 H 1 0.92 0.05 . 1 . . . . A 48 LEU HD23 . 34759 1 180 . 1 . 1 78 78 LEU C C 13 180.16 0.05 . 1 . . . . A 48 LEU C . 34759 1 181 . 1 . 1 78 78 LEU CA C 13 58.16 0.05 . 1 . . . . A 48 LEU CA . 34759 1 182 . 1 . 1 78 78 LEU CB C 13 40.90 0.05 . 1 . . . . A 48 LEU CB . 34759 1 183 . 1 . 1 78 78 LEU CD2 C 13 22.94 0.05 . 1 . . . . A 48 LEU CD2 . 34759 1 184 . 1 . 1 78 78 LEU N N 15 119.39 0.05 . 1 . . . . A 48 LEU N . 34759 1 185 . 1 . 1 79 79 ILE H H 1 8.26 0.05 . 1 . . . . A 49 ILE H . 34759 1 186 . 1 . 1 79 79 ILE HD11 H 1 0.77 0.05 . 1 . . . . A 49 ILE HD11 . 34759 1 187 . 1 . 1 79 79 ILE HD12 H 1 0.77 0.05 . 1 . . . . A 49 ILE HD12 . 34759 1 188 . 1 . 1 79 79 ILE HD13 H 1 0.77 0.05 . 1 . . . . A 49 ILE HD13 . 34759 1 189 . 1 . 1 79 79 ILE C C 13 178.06 0.05 . 1 . . . . A 49 ILE C . 34759 1 190 . 1 . 1 79 79 ILE CA C 13 66.51 0.05 . 1 . . . . A 49 ILE CA . 34759 1 191 . 1 . 1 79 79 ILE CB C 13 37.47 0.05 . 1 . . . . A 49 ILE CB . 34759 1 192 . 1 . 1 79 79 ILE CD1 C 13 14.16 0.05 . 1 . . . . A 49 ILE CD1 . 34759 1 193 . 1 . 1 79 79 ILE N N 15 119.92 0.05 . 1 . . . . A 49 ILE N . 34759 1 194 . 1 . 1 80 80 SER H H 1 8.27 0.05 . 1 . . . . A 50 SER H . 34759 1 195 . 1 . 1 80 80 SER CA C 13 62.35 0.05 . 1 . . . . A 50 SER CA . 34759 1 196 . 1 . 1 80 80 SER N N 15 116.75 0.05 . 1 . . . . A 50 SER N . 34759 1 197 . 1 . 1 82 82 SER C C 13 175.57 0.05 . 1 . . . . A 52 SER C . 34759 1 198 . 1 . 1 82 82 SER CA C 13 63.75 0.05 . 1 . . . . A 52 SER CA . 34759 1 199 . 1 . 1 82 82 SER CB C 13 63.31 0.05 . 1 . . . . A 52 SER CB . 34759 1 200 . 1 . 1 83 83 SER H H 1 8.59 0.05 . 1 . . . . A 53 SER H . 34759 1 201 . 1 . 1 83 83 SER C C 13 176.72 0.05 . 1 . . . . A 53 SER C . 34759 1 202 . 1 . 1 83 83 SER CA C 13 61.86 0.05 . 1 . . . . A 53 SER CA . 34759 1 203 . 1 . 1 83 83 SER CB C 13 63.30 0.05 . 1 . . . . A 53 SER CB . 34759 1 204 . 1 . 1 83 83 SER N N 15 115.93 0.05 . 1 . . . . A 53 SER N . 34759 1 205 . 1 . 1 84 84 ASP H H 1 8.21 0.05 . 1 . . . . A 54 ASP H . 34759 1 206 . 1 . 1 84 84 ASP C C 13 178.73 0.05 . 1 . . . . A 54 ASP C . 34759 1 207 . 1 . 1 84 84 ASP CA C 13 57.69 0.05 . 1 . . . . A 54 ASP CA . 34759 1 208 . 1 . 1 84 84 ASP CB C 13 40.49 0.05 . 1 . . . . A 54 ASP CB . 34759 1 209 . 1 . 1 84 84 ASP N N 15 119.49 0.05 . 1 . . . . A 54 ASP N . 34759 1 210 . 1 . 1 85 85 ALA H H 1 7.87 0.05 . 1 . . . . A 55 ALA H . 34759 1 211 . 1 . 1 85 85 ALA HB1 H 1 1.70 0.05 . 1 . . . . A 55 ALA HB1 . 34759 1 212 . 1 . 1 85 85 ALA HB2 H 1 1.70 0.05 . 1 . . . . A 55 ALA HB2 . 34759 1 213 . 1 . 1 85 85 ALA HB3 H 1 1.70 0.05 . 1 . . . . A 55 ALA HB3 . 34759 1 214 . 1 . 1 85 85 ALA C C 13 180.20 0.05 . 1 . . . . A 55 ALA C . 34759 1 215 . 1 . 1 85 85 ALA CA C 13 55.44 0.05 . 1 . . . . A 55 ALA CA . 34759 1 216 . 1 . 1 85 85 ALA CB C 13 19.14 0.05 . 1 . . . . A 55 ALA CB . 34759 1 217 . 1 . 1 85 85 ALA N N 15 122.95 0.05 . 1 . . . . A 55 ALA N . 34759 1 218 . 1 . 1 86 86 LEU H H 1 8.49 0.05 . 1 . . . . A 56 LEU H . 34759 1 219 . 1 . 1 86 86 LEU HD21 H 1 0.41 0.05 . 1 . . . . A 56 LEU HD21 . 34759 1 220 . 1 . 1 86 86 LEU HD22 H 1 0.41 0.05 . 1 . . . . A 56 LEU HD22 . 34759 1 221 . 1 . 1 86 86 LEU HD23 H 1 0.41 0.05 . 1 . . . . A 56 LEU HD23 . 34759 1 222 . 1 . 1 86 86 LEU C C 13 178.12 0.05 . 1 . . . . A 56 LEU C . 34759 1 223 . 1 . 1 86 86 LEU CA C 13 57.81 0.05 . 1 . . . . A 56 LEU CA . 34759 1 224 . 1 . 1 86 86 LEU CB C 13 40.98 0.05 . 1 . . . . A 56 LEU CB . 34759 1 225 . 1 . 1 86 86 LEU CD2 C 13 26.45 0.05 . 1 . . . . A 56 LEU CD2 . 34759 1 226 . 1 . 1 86 86 LEU N N 15 124.43 0.05 . 1 . . . . A 56 LEU N . 34759 1 227 . 1 . 1 87 87 ASP H H 1 8.84 0.05 . 1 . . . . A 57 ASP H . 34759 1 228 . 1 . 1 87 87 ASP C C 13 179.21 0.05 . 1 . . . . A 57 ASP C . 34759 1 229 . 1 . 1 87 87 ASP CA C 13 57.29 0.05 . 1 . . . . A 57 ASP CA . 34759 1 230 . 1 . 1 87 87 ASP CB C 13 39.87 0.05 . 1 . . . . A 57 ASP CB . 34759 1 231 . 1 . 1 87 87 ASP N N 15 119.67 0.05 . 1 . . . . A 57 ASP N . 34759 1 232 . 1 . 1 88 88 LYS H H 1 7.79 0.05 . 1 . . . . A 58 LYS H . 34759 1 233 . 1 . 1 88 88 LYS C C 13 179.87 0.05 . 1 . . . . A 58 LYS C . 34759 1 234 . 1 . 1 88 88 LYS CA C 13 60.51 0.05 . 1 . . . . A 58 LYS CA . 34759 1 235 . 1 . 1 88 88 LYS CB C 13 33.04 0.05 . 1 . . . . A 58 LYS CB . 34759 1 236 . 1 . 1 88 88 LYS N N 15 117.26 0.05 . 1 . . . . A 58 LYS N . 34759 1 237 . 1 . 1 89 89 ILE H H 1 7.39 0.05 . 1 . . . . A 59 ILE H . 34759 1 238 . 1 . 1 89 89 ILE HD11 H 1 0.88 0.05 . 1 . . . . A 59 ILE HD11 . 34759 1 239 . 1 . 1 89 89 ILE HD12 H 1 0.88 0.05 . 1 . . . . A 59 ILE HD12 . 34759 1 240 . 1 . 1 89 89 ILE HD13 H 1 0.88 0.05 . 1 . . . . A 59 ILE HD13 . 34759 1 241 . 1 . 1 89 89 ILE C C 13 176.41 0.05 . 1 . . . . A 59 ILE C . 34759 1 242 . 1 . 1 89 89 ILE CA C 13 60.50 0.05 . 1 . . . . A 59 ILE CA . 34759 1 243 . 1 . 1 89 89 ILE CB C 13 38.54 0.05 . 1 . . . . A 59 ILE CB . 34759 1 244 . 1 . 1 89 89 ILE CD1 C 13 14.62 0.05 . 1 . . . . A 59 ILE CD1 . 34759 1 245 . 1 . 1 89 89 ILE N N 15 116.92 0.05 . 1 . . . . A 59 ILE N . 34759 1 246 . 1 . 1 90 90 ARG H H 1 8.60 0.05 . 1 . . . . A 60 ARG H . 34759 1 247 . 1 . 1 90 90 ARG C C 13 179.93 0.05 . 1 . . . . A 60 ARG C . 34759 1 248 . 1 . 1 90 90 ARG CA C 13 60.31 0.05 . 1 . . . . A 60 ARG CA . 34759 1 249 . 1 . 1 90 90 ARG CB C 13 30.30 0.05 . 1 . . . . A 60 ARG CB . 34759 1 250 . 1 . 1 90 90 ARG N N 15 126.88 0.05 . 1 . . . . A 60 ARG N . 34759 1 251 . 1 . 1 91 91 TYR H H 1 8.71 0.05 . 1 . . . . A 61 TYR H . 34759 1 252 . 1 . 1 91 91 TYR C C 13 180.01 0.05 . 1 . . . . A 61 TYR C . 34759 1 253 . 1 . 1 91 91 TYR CA C 13 61.23 0.05 . 1 . . . . A 61 TYR CA . 34759 1 254 . 1 . 1 91 91 TYR CB C 13 37.54 0.05 . 1 . . . . A 61 TYR CB . 34759 1 255 . 1 . 1 91 91 TYR N N 15 118.34 0.05 . 1 . . . . A 61 TYR N . 34759 1 256 . 1 . 1 92 92 GLU H H 1 8.12 0.05 . 1 . . . . A 62 GLU H . 34759 1 257 . 1 . 1 92 92 GLU C C 13 180.09 0.05 . 1 . . . . A 62 GLU C . 34759 1 258 . 1 . 1 92 92 GLU CA C 13 60.41 0.05 . 1 . . . . A 62 GLU CA . 34759 1 259 . 1 . 1 92 92 GLU CB C 13 30.04 0.05 . 1 . . . . A 62 GLU CB . 34759 1 260 . 1 . 1 92 92 GLU N N 15 119.20 0.05 . 1 . . . . A 62 GLU N . 34759 1 261 . 1 . 1 93 93 THR CA C 13 60.30 0.05 . 1 . . . . A 63 THR CA . 34759 1 262 . 1 . 1 94 94 LEU H H 1 7.40 0.05 . 1 . . . . A 64 LEU H . 34759 1 263 . 1 . 1 94 94 LEU HD21 H 1 0.85 0.05 . 1 . . . . A 64 LEU HD21 . 34759 1 264 . 1 . 1 94 94 LEU HD22 H 1 0.85 0.05 . 1 . . . . A 64 LEU HD22 . 34759 1 265 . 1 . 1 94 94 LEU HD23 H 1 0.85 0.05 . 1 . . . . A 64 LEU HD23 . 34759 1 266 . 1 . 1 94 94 LEU C C 13 179.44 0.05 . 1 . . . . A 64 LEU C . 34759 1 267 . 1 . 1 94 94 LEU CA C 13 57.36 0.05 . 1 . . . . A 64 LEU CA . 34759 1 268 . 1 . 1 94 94 LEU CB C 13 41.75 0.05 . 1 . . . . A 64 LEU CB . 34759 1 269 . 1 . 1 94 94 LEU CD2 C 13 22.36 0.05 . 1 . . . . A 64 LEU CD2 . 34759 1 270 . 1 . 1 94 94 LEU N N 15 121.67 0.05 . 1 . . . . A 64 LEU N . 34759 1 271 . 1 . 1 95 95 THR H H 1 7.03 0.05 . 1 . . . . A 65 THR H . 34759 1 272 . 1 . 1 95 95 THR HG21 H 1 1.21 0.05 . 1 . . . . A 65 THR HG21 . 34759 1 273 . 1 . 1 95 95 THR HG22 H 1 1.21 0.05 . 1 . . . . A 65 THR HG22 . 34759 1 274 . 1 . 1 95 95 THR HG23 H 1 1.21 0.05 . 1 . . . . A 65 THR HG23 . 34759 1 275 . 1 . 1 95 95 THR C C 13 174.89 0.05 . 1 . . . . A 65 THR C . 34759 1 276 . 1 . 1 95 95 THR CA C 13 62.24 0.05 . 1 . . . . A 65 THR CA . 34759 1 277 . 1 . 1 95 95 THR CB C 13 69.72 0.05 . 1 . . . . A 65 THR CB . 34759 1 278 . 1 . 1 95 95 THR CG2 C 13 22.02 0.05 . 1 . . . . A 65 THR CG2 . 34759 1 279 . 1 . 1 95 95 THR N N 15 106.46 0.05 . 1 . . . . A 65 THR N . 34759 1 280 . 1 . 1 96 96 ASP H H 1 7.35 0.05 . 1 . . . . A 66 ASP H . 34759 1 281 . 1 . 1 96 96 ASP C C 13 173.69 0.05 . 1 . . . . A 66 ASP C . 34759 1 282 . 1 . 1 96 96 ASP CA C 13 51.42 0.05 . 1 . . . . A 66 ASP CA . 34759 1 283 . 1 . 1 96 96 ASP CB C 13 41.13 0.05 . 1 . . . . A 66 ASP CB . 34759 1 284 . 1 . 1 96 96 ASP N N 15 117.94 0.05 . 1 . . . . A 66 ASP N . 34759 1 285 . 1 . 1 97 97 PRO C C 13 179.27 0.05 . 1 . . . . A 67 PRO C . 34759 1 286 . 1 . 1 97 97 PRO CA C 13 64.89 0.05 . 1 . . . . A 67 PRO CA . 34759 1 287 . 1 . 1 97 97 PRO CB C 13 32.11 0.05 . 1 . . . . A 67 PRO CB . 34759 1 288 . 1 . 1 98 98 SER H H 1 8.09 0.05 . 1 . . . . A 68 SER H . 34759 1 289 . 1 . 1 98 98 SER C C 13 177.20 0.05 . 1 . . . . A 68 SER C . 34759 1 290 . 1 . 1 98 98 SER CA C 13 60.99 0.05 . 1 . . . . A 68 SER CA . 34759 1 291 . 1 . 1 98 98 SER CB C 13 62.97 0.05 . 1 . . . . A 68 SER CB . 34759 1 292 . 1 . 1 98 98 SER N N 15 115.05 0.05 . 1 . . . . A 68 SER N . 34759 1 293 . 1 . 1 99 99 LYS H H 1 7.88 0.05 . 1 . . . . A 69 LYS H . 34759 1 294 . 1 . 1 99 99 LYS C C 13 176.89 0.05 . 1 . . . . A 69 LYS C . 34759 1 295 . 1 . 1 99 99 LYS CA C 13 57.99 0.05 . 1 . . . . A 69 LYS CA . 34759 1 296 . 1 . 1 99 99 LYS CB C 13 32.60 0.05 . 1 . . . . A 69 LYS CB . 34759 1 297 . 1 . 1 99 99 LYS N N 15 123.15 0.05 . 1 . . . . A 69 LYS N . 34759 1 298 . 1 . 1 100 100 LEU H H 1 7.26 0.05 . 1 . . . . A 70 LEU H . 34759 1 299 . 1 . 1 100 100 LEU HD21 H 1 0.79 0.05 . 1 . . . . A 70 LEU HD21 . 34759 1 300 . 1 . 1 100 100 LEU HD22 H 1 0.79 0.05 . 1 . . . . A 70 LEU HD22 . 34759 1 301 . 1 . 1 100 100 LEU HD23 H 1 0.79 0.05 . 1 . . . . A 70 LEU HD23 . 34759 1 302 . 1 . 1 100 100 LEU C C 13 178.73 0.05 . 1 . . . . A 70 LEU C . 34759 1 303 . 1 . 1 100 100 LEU CA C 13 53.83 0.05 . 1 . . . . A 70 LEU CA . 34759 1 304 . 1 . 1 100 100 LEU CB C 13 40.79 0.05 . 1 . . . . A 70 LEU CB . 34759 1 305 . 1 . 1 100 100 LEU CD2 C 13 22.56 0.05 . 1 . . . . A 70 LEU CD2 . 34759 1 306 . 1 . 1 100 100 LEU N N 15 111.70 0.05 . 1 . . . . A 70 LEU N . 34759 1 307 . 1 . 1 101 101 ASP H H 1 8.04 0.05 . 1 . . . . A 71 ASP H . 34759 1 308 . 1 . 1 101 101 ASP C C 13 177.42 0.05 . 1 . . . . A 71 ASP C . 34759 1 309 . 1 . 1 101 101 ASP CA C 13 57.64 0.05 . 1 . . . . A 71 ASP CA . 34759 1 310 . 1 . 1 101 101 ASP CB C 13 39.47 0.05 . 1 . . . . A 71 ASP CB . 34759 1 311 . 1 . 1 101 101 ASP N N 15 123.38 0.05 . 1 . . . . A 71 ASP N . 34759 1 312 . 1 . 1 102 102 SER H H 1 7.48 0.05 . 1 . . . . A 72 SER H . 34759 1 313 . 1 . 1 102 102 SER C C 13 174.90 0.05 . 1 . . . . A 72 SER C . 34759 1 314 . 1 . 1 102 102 SER CA C 13 56.96 0.05 . 1 . . . . A 72 SER CA . 34759 1 315 . 1 . 1 102 102 SER CB C 13 62.40 0.05 . 1 . . . . A 72 SER CB . 34759 1 316 . 1 . 1 102 102 SER N N 15 108.99 0.05 . 1 . . . . A 72 SER N . 34759 1 317 . 1 . 1 103 103 GLY H H 1 7.69 0.05 . 1 . . . . A 73 GLY H . 34759 1 318 . 1 . 1 103 103 GLY C C 13 174.96 0.05 . 1 . . . . A 73 GLY C . 34759 1 319 . 1 . 1 103 103 GLY CA C 13 47.09 0.05 . 1 . . . . A 73 GLY CA . 34759 1 320 . 1 . 1 103 103 GLY N N 15 111.32 0.05 . 1 . . . . A 73 GLY N . 34759 1 321 . 1 . 1 104 104 LYS H H 1 8.90 0.05 . 1 . . . . A 74 LYS H . 34759 1 322 . 1 . 1 104 104 LYS C C 13 176.13 0.05 . 1 . . . . A 74 LYS C . 34759 1 323 . 1 . 1 104 104 LYS CA C 13 57.91 0.05 . 1 . . . . A 74 LYS CA . 34759 1 324 . 1 . 1 104 104 LYS CB C 13 33.50 0.05 . 1 . . . . A 74 LYS CB . 34759 1 325 . 1 . 1 104 104 LYS N N 15 127.03 0.05 . 1 . . . . A 74 LYS N . 34759 1 326 . 1 . 1 105 105 GLU H H 1 7.67 0.05 . 1 . . . . A 75 GLU H . 34759 1 327 . 1 . 1 105 105 GLU C C 13 177.25 0.05 . 1 . . . . A 75 GLU C . 34759 1 328 . 1 . 1 105 105 GLU CA C 13 56.74 0.05 . 1 . . . . A 75 GLU CA . 34759 1 329 . 1 . 1 105 105 GLU CB C 13 29.96 0.05 . 1 . . . . A 75 GLU CB . 34759 1 330 . 1 . 1 105 105 GLU N N 15 116.58 0.05 . 1 . . . . A 75 GLU N . 34759 1 331 . 1 . 1 106 106 LEU H H 1 8.68 0.05 . 1 . . . . A 76 LEU H . 34759 1 332 . 1 . 1 106 106 LEU HD21 H 1 0.59 0.05 . 1 . . . . A 76 LEU HD21 . 34759 1 333 . 1 . 1 106 106 LEU HD22 H 1 0.59 0.05 . 1 . . . . A 76 LEU HD22 . 34759 1 334 . 1 . 1 106 106 LEU HD23 H 1 0.59 0.05 . 1 . . . . A 76 LEU HD23 . 34759 1 335 . 1 . 1 106 106 LEU C C 13 173.87 0.05 . 1 . . . . A 76 LEU C . 34759 1 336 . 1 . 1 106 106 LEU CA C 13 54.03 0.05 . 1 . . . . A 76 LEU CA . 34759 1 337 . 1 . 1 106 106 LEU CB C 13 41.06 0.05 . 1 . . . . A 76 LEU CB . 34759 1 338 . 1 . 1 106 106 LEU CD2 C 13 24.05 0.05 . 1 . . . . A 76 LEU CD2 . 34759 1 339 . 1 . 1 106 106 LEU N N 15 127.19 0.05 . 1 . . . . A 76 LEU N . 34759 1 340 . 1 . 1 107 107 HIS H H 1 7.69 0.05 . 1 . . . . A 77 HIS H . 34759 1 341 . 1 . 1 107 107 HIS C C 13 172.61 0.05 . 1 . . . . A 77 HIS C . 34759 1 342 . 1 . 1 107 107 HIS CA C 13 54.65 0.05 . 1 . . . . A 77 HIS CA . 34759 1 343 . 1 . 1 107 107 HIS CB C 13 32.72 0.05 . 1 . . . . A 77 HIS CB . 34759 1 344 . 1 . 1 107 107 HIS N N 15 118.66 0.05 . 1 . . . . A 77 HIS N . 34759 1 345 . 1 . 1 108 108 ILE H H 1 8.22 0.05 . 1 . . . . A 78 ILE H . 34759 1 346 . 1 . 1 108 108 ILE HD11 H 1 0.77 0.05 . 1 . . . . A 78 ILE HD11 . 34759 1 347 . 1 . 1 108 108 ILE HD12 H 1 0.77 0.05 . 1 . . . . A 78 ILE HD12 . 34759 1 348 . 1 . 1 108 108 ILE HD13 H 1 0.77 0.05 . 1 . . . . A 78 ILE HD13 . 34759 1 349 . 1 . 1 108 108 ILE C C 13 175.01 0.05 . 1 . . . . A 78 ILE C . 34759 1 350 . 1 . 1 108 108 ILE CA C 13 60.68 0.05 . 1 . . . . A 78 ILE CA . 34759 1 351 . 1 . 1 108 108 ILE CB C 13 41.22 0.05 . 1 . . . . A 78 ILE CB . 34759 1 352 . 1 . 1 108 108 ILE CD1 C 13 14.96 0.05 . 1 . . . . A 78 ILE CD1 . 34759 1 353 . 1 . 1 108 108 ILE N N 15 117.66 0.05 . 1 . . . . A 78 ILE N . 34759 1 354 . 1 . 1 109 109 ASN H H 1 9.76 0.05 . 1 . . . . A 79 ASN H . 34759 1 355 . 1 . 1 109 109 ASN C C 13 173.62 0.05 . 1 . . . . A 79 ASN C . 34759 1 356 . 1 . 1 109 109 ASN CA C 13 51.14 0.05 . 1 . . . . A 79 ASN CA . 34759 1 357 . 1 . 1 109 109 ASN CB C 13 42.25 0.05 . 1 . . . . A 79 ASN CB . 34759 1 358 . 1 . 1 109 109 ASN N N 15 125.03 0.05 . 1 . . . . A 79 ASN N . 34759 1 359 . 1 . 1 110 110 LEU H H 1 9.04 0.05 . 1 . . . . A 80 LEU H . 34759 1 360 . 1 . 1 110 110 LEU HD21 H 1 0.85 0.05 . 1 . . . . A 80 LEU HD21 . 34759 1 361 . 1 . 1 110 110 LEU HD22 H 1 0.85 0.05 . 1 . . . . A 80 LEU HD22 . 34759 1 362 . 1 . 1 110 110 LEU HD23 H 1 0.85 0.05 . 1 . . . . A 80 LEU HD23 . 34759 1 363 . 1 . 1 110 110 LEU C C 13 176.34 0.05 . 1 . . . . A 80 LEU C . 34759 1 364 . 1 . 1 110 110 LEU CA C 13 53.44 0.05 . 1 . . . . A 80 LEU CA . 34759 1 365 . 1 . 1 110 110 LEU CB C 13 44.91 0.05 . 1 . . . . A 80 LEU CB . 34759 1 366 . 1 . 1 110 110 LEU CD2 C 13 25.88 0.05 . 1 . . . . A 80 LEU CD2 . 34759 1 367 . 1 . 1 110 110 LEU N N 15 121.99 0.05 . 1 . . . . A 80 LEU N . 34759 1 368 . 1 . 1 111 111 ILE H H 1 9.37 0.05 . 1 . . . . A 81 ILE H . 34759 1 369 . 1 . 1 111 111 ILE HD11 H 1 0.73 0.05 . 1 . . . . A 81 ILE HD11 . 34759 1 370 . 1 . 1 111 111 ILE HD12 H 1 0.73 0.05 . 1 . . . . A 81 ILE HD12 . 34759 1 371 . 1 . 1 111 111 ILE HD13 H 1 0.73 0.05 . 1 . . . . A 81 ILE HD13 . 34759 1 372 . 1 . 1 111 111 ILE C C 13 175.28 0.05 . 1 . . . . A 81 ILE C . 34759 1 373 . 1 . 1 111 111 ILE CA C 13 59.31 0.05 . 1 . . . . A 81 ILE CA . 34759 1 374 . 1 . 1 111 111 ILE CB C 13 41.98 0.05 . 1 . . . . A 81 ILE CB . 34759 1 375 . 1 . 1 111 111 ILE CD1 C 13 15.27 0.05 . 1 . . . . A 81 ILE CD1 . 34759 1 376 . 1 . 1 111 111 ILE N N 15 120.01 0.05 . 1 . . . . A 81 ILE N . 34759 1 377 . 1 . 1 112 112 PRO C C 13 175.97 0.05 . 1 . . . . A 82 PRO C . 34759 1 378 . 1 . 1 112 112 PRO CA C 13 62.39 0.05 . 1 . . . . A 82 PRO CA . 34759 1 379 . 1 . 1 112 112 PRO CB C 13 33.51 0.05 . 1 . . . . A 82 PRO CB . 34759 1 380 . 1 . 1 113 113 ASN H H 1 9.17 0.05 . 1 . . . . A 83 ASN H . 34759 1 381 . 1 . 1 113 113 ASN C C 13 175.62 0.05 . 1 . . . . A 83 ASN C . 34759 1 382 . 1 . 1 113 113 ASN CA C 13 52.77 0.05 . 1 . . . . A 83 ASN CA . 34759 1 383 . 1 . 1 113 113 ASN CB C 13 39.90 0.05 . 1 . . . . A 83 ASN CB . 34759 1 384 . 1 . 1 113 113 ASN N N 15 121.41 0.05 . 1 . . . . A 83 ASN N . 34759 1 385 . 1 . 1 114 114 LYS H H 1 9.46 0.05 . 1 . . . . A 84 LYS H . 34759 1 386 . 1 . 1 114 114 LYS C C 13 178.62 0.05 . 1 . . . . A 84 LYS C . 34759 1 387 . 1 . 1 114 114 LYS CA C 13 59.81 0.05 . 1 . . . . A 84 LYS CA . 34759 1 388 . 1 . 1 114 114 LYS CB C 13 32.97 0.05 . 1 . . . . A 84 LYS CB . 34759 1 389 . 1 . 1 114 114 LYS N N 15 124.87 0.05 . 1 . . . . A 84 LYS N . 34759 1 390 . 1 . 1 115 115 GLN H H 1 8.48 0.05 . 1 . . . . A 85 GLN H . 34759 1 391 . 1 . 1 115 115 GLN C C 13 177.78 0.05 . 1 . . . . A 85 GLN C . 34759 1 392 . 1 . 1 115 115 GLN CA C 13 59.32 0.05 . 1 . . . . A 85 GLN CA . 34759 1 393 . 1 . 1 115 115 GLN CB C 13 28.35 0.05 . 1 . . . . A 85 GLN CB . 34759 1 394 . 1 . 1 115 115 GLN N N 15 119.55 0.05 . 1 . . . . A 85 GLN N . 34759 1 395 . 1 . 1 116 116 ASP H H 1 7.69 0.05 . 1 . . . . A 86 ASP H . 34759 1 396 . 1 . 1 116 116 ASP C C 13 175.50 0.05 . 1 . . . . A 86 ASP C . 34759 1 397 . 1 . 1 116 116 ASP CA C 13 53.65 0.05 . 1 . . . . A 86 ASP CA . 34759 1 398 . 1 . 1 116 116 ASP CB C 13 40.88 0.05 . 1 . . . . A 86 ASP CB . 34759 1 399 . 1 . 1 116 116 ASP N N 15 116.34 0.05 . 1 . . . . A 86 ASP N . 34759 1 400 . 1 . 1 117 117 ARG H H 1 7.92 0.05 . 1 . . . . A 87 ARG H . 34759 1 401 . 1 . 1 117 117 ARG C C 13 174.75 0.05 . 1 . . . . A 87 ARG C . 34759 1 402 . 1 . 1 117 117 ARG CA C 13 57.41 0.05 . 1 . . . . A 87 ARG CA . 34759 1 403 . 1 . 1 117 117 ARG CB C 13 29.81 0.05 . 1 . . . . A 87 ARG CB . 34759 1 404 . 1 . 1 117 117 ARG N N 15 120.25 0.05 . 1 . . . . A 87 ARG N . 34759 1 405 . 1 . 1 118 118 THR H H 1 8.08 0.05 . 1 . . . . A 88 THR H . 34759 1 406 . 1 . 1 118 118 THR HG21 H 1 0.66 0.05 . 1 . . . . A 88 THR HG21 . 34759 1 407 . 1 . 1 118 118 THR HG22 H 1 0.66 0.05 . 1 . . . . A 88 THR HG22 . 34759 1 408 . 1 . 1 118 118 THR HG23 H 1 0.66 0.05 . 1 . . . . A 88 THR HG23 . 34759 1 409 . 1 . 1 118 118 THR C C 13 173.22 0.05 . 1 . . . . A 88 THR C . 34759 1 410 . 1 . 1 118 118 THR CA C 13 58.04 0.05 . 1 . . . . A 88 THR CA . 34759 1 411 . 1 . 1 118 118 THR CB C 13 73.08 0.05 . 1 . . . . A 88 THR CB . 34759 1 412 . 1 . 1 118 118 THR CG2 C 13 20.88 0.05 . 1 . . . . A 88 THR CG2 . 34759 1 413 . 1 . 1 118 118 THR N N 15 106.10 0.05 . 1 . . . . A 88 THR N . 34759 1 414 . 1 . 1 119 119 LEU HD21 H 1 1.15 0.05 . 1 . . . . A 89 LEU HD21 . 34759 1 415 . 1 . 1 119 119 LEU HD22 H 1 1.15 0.05 . 1 . . . . A 89 LEU HD22 . 34759 1 416 . 1 . 1 119 119 LEU HD23 H 1 1.15 0.05 . 1 . . . . A 89 LEU HD23 . 34759 1 417 . 1 . 1 119 119 LEU C C 13 174.57 0.05 . 1 . . . . A 89 LEU C . 34759 1 418 . 1 . 1 119 119 LEU CA C 13 53.79 0.05 . 1 . . . . A 89 LEU CA . 34759 1 419 . 1 . 1 119 119 LEU CB C 13 45.66 0.05 . 1 . . . . A 89 LEU CB . 34759 1 420 . 1 . 1 119 119 LEU CD2 C 13 25.99 0.05 . 1 . . . . A 89 LEU CD2 . 34759 1 421 . 1 . 1 120 120 THR H H 1 8.08 0.05 . 1 . . . . A 90 THR H . 34759 1 422 . 1 . 1 120 120 THR HG21 H 1 1.07 0.05 . 1 . . . . A 90 THR HG21 . 34759 1 423 . 1 . 1 120 120 THR HG22 H 1 1.07 0.05 . 1 . . . . A 90 THR HG22 . 34759 1 424 . 1 . 1 120 120 THR HG23 H 1 1.07 0.05 . 1 . . . . A 90 THR HG23 . 34759 1 425 . 1 . 1 120 120 THR C C 13 173.44 0.05 . 1 . . . . A 90 THR C . 34759 1 426 . 1 . 1 120 120 THR CA C 13 61.95 0.05 . 1 . . . . A 90 THR CA . 34759 1 427 . 1 . 1 120 120 THR CB C 13 70.16 0.05 . 1 . . . . A 90 THR CB . 34759 1 428 . 1 . 1 120 120 THR CG2 C 13 22.88 0.05 . 1 . . . . A 90 THR CG2 . 34759 1 429 . 1 . 1 120 120 THR N N 15 123.99 0.05 . 1 . . . . A 90 THR N . 34759 1 430 . 1 . 1 121 121 ILE H H 1 9.47 0.05 . 1 . . . . A 91 ILE H . 34759 1 431 . 1 . 1 121 121 ILE HD11 H 1 0.82 0.05 . 1 . . . . A 91 ILE HD11 . 34759 1 432 . 1 . 1 121 121 ILE HD12 H 1 0.82 0.05 . 1 . . . . A 91 ILE HD12 . 34759 1 433 . 1 . 1 121 121 ILE HD13 H 1 0.82 0.05 . 1 . . . . A 91 ILE HD13 . 34759 1 434 . 1 . 1 121 121 ILE C C 13 175.38 0.05 . 1 . . . . A 91 ILE C . 34759 1 435 . 1 . 1 121 121 ILE CA C 13 60.74 0.05 . 1 . . . . A 91 ILE CA . 34759 1 436 . 1 . 1 121 121 ILE CB C 13 40.48 0.05 . 1 . . . . A 91 ILE CB . 34759 1 437 . 1 . 1 121 121 ILE CD1 C 13 16.47 0.05 . 1 . . . . A 91 ILE CD1 . 34759 1 438 . 1 . 1 121 121 ILE N N 15 127.67 0.05 . 1 . . . . A 91 ILE N . 34759 1 439 . 1 . 1 122 122 VAL H H 1 9.66 0.05 . 1 . . . . A 92 VAL H . 34759 1 440 . 1 . 1 122 122 VAL HG21 H 1 0.94 0.05 . 1 . . . . A 92 VAL HG21 . 34759 1 441 . 1 . 1 122 122 VAL HG22 H 1 0.94 0.05 . 1 . . . . A 92 VAL HG22 . 34759 1 442 . 1 . 1 122 122 VAL HG23 H 1 0.94 0.05 . 1 . . . . A 92 VAL HG23 . 34759 1 443 . 1 . 1 122 122 VAL C C 13 174.17 0.05 . 1 . . . . A 92 VAL C . 34759 1 444 . 1 . 1 122 122 VAL CA C 13 60.80 0.05 . 1 . . . . A 92 VAL CA . 34759 1 445 . 1 . 1 122 122 VAL CB C 13 35.27 0.05 . 1 . . . . A 92 VAL CB . 34759 1 446 . 1 . 1 122 122 VAL CG2 C 13 22.51 0.05 . 1 . . . . A 92 VAL CG2 . 34759 1 447 . 1 . 1 122 122 VAL N N 15 129.58 0.05 . 1 . . . . A 92 VAL N . 34759 1 448 . 1 . 1 123 123 ASP H H 1 9.50 0.05 . 1 . . . . A 93 ASP H . 34759 1 449 . 1 . 1 123 123 ASP C C 13 176.21 0.05 . 1 . . . . A 93 ASP C . 34759 1 450 . 1 . 1 123 123 ASP CA C 13 52.78 0.05 . 1 . . . . A 93 ASP CA . 34759 1 451 . 1 . 1 123 123 ASP CB C 13 46.59 0.05 . 1 . . . . A 93 ASP CB . 34759 1 452 . 1 . 1 123 123 ASP N N 15 123.26 0.05 . 1 . . . . A 93 ASP N . 34759 1 453 . 1 . 1 124 124 THR H H 1 7.27 0.05 . 1 . . . . A 94 THR H . 34759 1 454 . 1 . 1 124 124 THR HG21 H 1 1.14 0.05 . 1 . . . . A 94 THR HG21 . 34759 1 455 . 1 . 1 124 124 THR HG22 H 1 1.14 0.05 . 1 . . . . A 94 THR HG22 . 34759 1 456 . 1 . 1 124 124 THR HG23 H 1 1.14 0.05 . 1 . . . . A 94 THR HG23 . 34759 1 457 . 1 . 1 124 124 THR C C 13 174.90 0.05 . 1 . . . . A 94 THR C . 34759 1 458 . 1 . 1 124 124 THR CA C 13 59.08 0.05 . 1 . . . . A 94 THR CA . 34759 1 459 . 1 . 1 124 124 THR CB C 13 66.58 0.05 . 1 . . . . A 94 THR CB . 34759 1 460 . 1 . 1 124 124 THR CG2 C 13 23.56 0.05 . 1 . . . . A 94 THR CG2 . 34759 1 461 . 1 . 1 124 124 THR N N 15 108.90 0.05 . 1 . . . . A 94 THR N . 34759 1 462 . 1 . 1 125 125 GLY H H 1 9.57 0.05 . 1 . . . . A 95 GLY H . 34759 1 463 . 1 . 1 125 125 GLY C C 13 172.46 0.05 . 1 . . . . A 95 GLY C . 34759 1 464 . 1 . 1 125 125 GLY CA C 13 44.87 0.05 . 1 . . . . A 95 GLY CA . 34759 1 465 . 1 . 1 125 125 GLY N N 15 108.73 0.05 . 1 . . . . A 95 GLY N . 34759 1 466 . 1 . 1 126 126 ILE H H 1 6.88 0.05 . 1 . . . . A 96 ILE H . 34759 1 467 . 1 . 1 126 126 ILE HD11 H 1 0.85 0.05 . 1 . . . . A 96 ILE HD11 . 34759 1 468 . 1 . 1 126 126 ILE HD12 H 1 0.85 0.05 . 1 . . . . A 96 ILE HD12 . 34759 1 469 . 1 . 1 126 126 ILE HD13 H 1 0.85 0.05 . 1 . . . . A 96 ILE HD13 . 34759 1 470 . 1 . 1 126 126 ILE C C 13 173.41 0.05 . 1 . . . . A 96 ILE C . 34759 1 471 . 1 . 1 126 126 ILE CA C 13 62.89 0.05 . 1 . . . . A 96 ILE CA . 34759 1 472 . 1 . 1 126 126 ILE CB C 13 40.83 0.05 . 1 . . . . A 96 ILE CB . 34759 1 473 . 1 . 1 126 126 ILE CD1 C 13 15.77 0.05 . 1 . . . . A 96 ILE CD1 . 34759 1 474 . 1 . 1 126 126 ILE N N 15 115.66 0.05 . 1 . . . . A 96 ILE N . 34759 1 475 . 1 . 1 127 127 GLY H H 1 7.71 0.05 . 1 . . . . A 97 GLY H . 34759 1 476 . 1 . 1 127 127 GLY C C 13 173.14 0.05 . 1 . . . . A 97 GLY C . 34759 1 477 . 1 . 1 127 127 GLY CA C 13 44.18 0.05 . 1 . . . . A 97 GLY CA . 34759 1 478 . 1 . 1 127 127 GLY N N 15 103.50 0.05 . 1 . . . . A 97 GLY N . 34759 1 479 . 1 . 1 128 128 MET H H 1 7.72 0.05 . 1 . . . . A 98 MET H . 34759 1 480 . 1 . 1 128 128 MET HE1 H 1 1.74 0.05 . 1 . . . . A 98 MET HE1 . 34759 1 481 . 1 . 1 128 128 MET HE2 H 1 1.74 0.05 . 1 . . . . A 98 MET HE2 . 34759 1 482 . 1 . 1 128 128 MET HE3 H 1 1.74 0.05 . 1 . . . . A 98 MET HE3 . 34759 1 483 . 1 . 1 128 128 MET C C 13 175.28 0.05 . 1 . . . . A 98 MET C . 34759 1 484 . 1 . 1 128 128 MET CA C 13 55.57 0.05 . 1 . . . . A 98 MET CA . 34759 1 485 . 1 . 1 128 128 MET CB C 13 37.69 0.05 . 1 . . . . A 98 MET CB . 34759 1 486 . 1 . 1 128 128 MET CE C 13 17.73 0.05 . 1 . . . . A 98 MET CE . 34759 1 487 . 1 . 1 128 128 MET N N 15 116.80 0.05 . 1 . . . . A 98 MET N . 34759 1 488 . 1 . 1 129 129 THR H H 1 8.09 0.05 . 1 . . . . A 99 THR H . 34759 1 489 . 1 . 1 129 129 THR HG21 H 1 0.67 0.05 . 1 . . . . A 99 THR HG21 . 34759 1 490 . 1 . 1 129 129 THR HG22 H 1 0.67 0.05 . 1 . . . . A 99 THR HG22 . 34759 1 491 . 1 . 1 129 129 THR HG23 H 1 0.67 0.05 . 1 . . . . A 99 THR HG23 . 34759 1 492 . 1 . 1 129 129 THR C C 13 174.11 0.05 . 1 . . . . A 99 THR C . 34759 1 493 . 1 . 1 129 129 THR CA C 13 61.16 0.05 . 1 . . . . A 99 THR CA . 34759 1 494 . 1 . 1 129 129 THR CB C 13 70.90 0.05 . 1 . . . . A 99 THR CB . 34759 1 495 . 1 . 1 129 129 THR CG2 C 13 21.09 0.05 . 1 . . . . A 99 THR CG2 . 34759 1 496 . 1 . 1 129 129 THR N N 15 112.05 0.05 . 1 . . . . A 99 THR N . 34759 1 497 . 1 . 1 131 131 ALA HB1 H 1 1.21 0.05 . 1 . . . . A 101 ALA HB1 . 34759 1 498 . 1 . 1 131 131 ALA HB2 H 1 1.21 0.05 . 1 . . . . A 101 ALA HB2 . 34759 1 499 . 1 . 1 131 131 ALA HB3 H 1 1.21 0.05 . 1 . . . . A 101 ALA HB3 . 34759 1 500 . 1 . 1 131 131 ALA CA C 13 54.82 0.05 . 1 . . . . A 101 ALA CA . 34759 1 501 . 1 . 1 131 131 ALA CB C 13 18.03 0.05 . 1 . . . . A 101 ALA CB . 34759 1 502 . 1 . 1 132 132 ASP C C 13 178.17 0.05 . 1 . . . . A 102 ASP C . 34759 1 503 . 1 . 1 132 132 ASP CA C 13 57.25 0.05 . 1 . . . . A 102 ASP CA . 34759 1 504 . 1 . 1 132 132 ASP CB C 13 40.61 0.05 . 1 . . . . A 102 ASP CB . 34759 1 505 . 1 . 1 133 133 LEU HD21 H 1 0.80 0.05 . 1 . . . . A 103 LEU HD21 . 34759 1 506 . 1 . 1 133 133 LEU HD22 H 1 0.80 0.05 . 1 . . . . A 103 LEU HD22 . 34759 1 507 . 1 . 1 133 133 LEU HD23 H 1 0.80 0.05 . 1 . . . . A 103 LEU HD23 . 34759 1 508 . 1 . 1 133 133 LEU CA C 13 57.84 0.05 . 1 . . . . A 103 LEU CA . 34759 1 509 . 1 . 1 133 133 LEU CB C 13 43.46 0.05 . 1 . . . . A 103 LEU CB . 34759 1 510 . 1 . 1 133 133 LEU CD2 C 13 25.45 0.05 . 1 . . . . A 103 LEU CD2 . 34759 1 511 . 1 . 1 134 134 ILE HD11 H 1 0.59 0.05 . 1 . . . . A 104 ILE HD11 . 34759 1 512 . 1 . 1 134 134 ILE HD12 H 1 0.59 0.05 . 1 . . . . A 104 ILE HD12 . 34759 1 513 . 1 . 1 134 134 ILE HD13 H 1 0.59 0.05 . 1 . . . . A 104 ILE HD13 . 34759 1 514 . 1 . 1 134 134 ILE CA C 13 65.37 0.05 . 1 . . . . A 104 ILE CA . 34759 1 515 . 1 . 1 134 134 ILE CB C 13 38.18 0.05 . 1 . . . . A 104 ILE CB . 34759 1 516 . 1 . 1 134 134 ILE CD1 C 13 15.11 0.05 . 1 . . . . A 104 ILE CD1 . 34759 1 517 . 1 . 1 137 137 LEU HD21 H 1 -0.85 0.05 . 1 . . . . A 107 LEU HD21 . 34759 1 518 . 1 . 1 137 137 LEU HD22 H 1 -0.85 0.05 . 1 . . . . A 107 LEU HD22 . 34759 1 519 . 1 . 1 137 137 LEU HD23 H 1 -0.85 0.05 . 1 . . . . A 107 LEU HD23 . 34759 1 520 . 1 . 1 137 137 LEU CA C 13 54.69 0.05 . 1 . . . . A 107 LEU CA . 34759 1 521 . 1 . 1 137 137 LEU CB C 13 39.46 0.05 . 1 . . . . A 107 LEU CB . 34759 1 522 . 1 . 1 137 137 LEU CD2 C 13 21.78 0.05 . 1 . . . . A 107 LEU CD2 . 34759 1 523 . 1 . 1 139 139 THR HG21 H 1 1.44 0.05 . 1 . . . . A 109 THR HG21 . 34759 1 524 . 1 . 1 139 139 THR HG22 H 1 1.44 0.05 . 1 . . . . A 109 THR HG22 . 34759 1 525 . 1 . 1 139 139 THR HG23 H 1 1.44 0.05 . 1 . . . . A 109 THR HG23 . 34759 1 526 . 1 . 1 139 139 THR CB C 13 70.81 0.05 . 1 . . . . A 109 THR CB . 34759 1 527 . 1 . 1 139 139 THR CG2 C 13 22.30 0.05 . 1 . . . . A 109 THR CG2 . 34759 1 528 . 1 . 1 140 140 ILE HD11 H 1 0.82 0.05 . 1 . . . . A 110 ILE HD11 . 34759 1 529 . 1 . 1 140 140 ILE HD12 H 1 0.82 0.05 . 1 . . . . A 110 ILE HD12 . 34759 1 530 . 1 . 1 140 140 ILE HD13 H 1 0.82 0.05 . 1 . . . . A 110 ILE HD13 . 34759 1 531 . 1 . 1 140 140 ILE CB C 13 39.08 0.05 . 1 . . . . A 110 ILE CB . 34759 1 532 . 1 . 1 140 140 ILE CD1 C 13 12.11 0.05 . 1 . . . . A 110 ILE CD1 . 34759 1 533 . 1 . 1 141 141 ALA HB1 H 1 1.42 0.05 . 1 . . . . A 111 ALA HB1 . 34759 1 534 . 1 . 1 141 141 ALA HB2 H 1 1.42 0.05 . 1 . . . . A 111 ALA HB2 . 34759 1 535 . 1 . 1 141 141 ALA HB3 H 1 1.42 0.05 . 1 . . . . A 111 ALA HB3 . 34759 1 536 . 1 . 1 141 141 ALA CA C 13 52.52 0.05 . 1 . . . . A 111 ALA CA . 34759 1 537 . 1 . 1 141 141 ALA CB C 13 18.85 0.05 . 1 . . . . A 111 ALA CB . 34759 1 538 . 1 . 1 145 145 THR HG21 H 1 1.10 0.05 . 1 . . . . A 115 THR HG21 . 34759 1 539 . 1 . 1 145 145 THR HG22 H 1 1.10 0.05 . 1 . . . . A 115 THR HG22 . 34759 1 540 . 1 . 1 145 145 THR HG23 H 1 1.10 0.05 . 1 . . . . A 115 THR HG23 . 34759 1 541 . 1 . 1 145 145 THR CB C 13 68.21 0.05 . 1 . . . . A 115 THR CB . 34759 1 542 . 1 . 1 145 145 THR CG2 C 13 23.84 0.05 . 1 . . . . A 115 THR CG2 . 34759 1 543 . 1 . 1 146 146 LYS C C 13 178.77 0.05 . 1 . . . . A 116 LYS C . 34759 1 544 . 1 . 1 146 146 LYS CA C 13 59.89 0.05 . 1 . . . . A 116 LYS CA . 34759 1 545 . 1 . 1 146 146 LYS CB C 13 32.31 0.05 . 1 . . . . A 116 LYS CB . 34759 1 546 . 1 . 1 147 147 ALA H H 1 7.91 0.05 . 1 . . . . A 117 ALA H . 34759 1 547 . 1 . 1 147 147 ALA HB1 H 1 1.65 0.05 . 1 . . . . A 117 ALA HB1 . 34759 1 548 . 1 . 1 147 147 ALA HB2 H 1 1.65 0.05 . 1 . . . . A 117 ALA HB2 . 34759 1 549 . 1 . 1 147 147 ALA HB3 H 1 1.65 0.05 . 1 . . . . A 117 ALA HB3 . 34759 1 550 . 1 . 1 147 147 ALA C C 13 180.88 0.05 . 1 . . . . A 117 ALA C . 34759 1 551 . 1 . 1 147 147 ALA CA C 13 54.91 0.05 . 1 . . . . A 117 ALA CA . 34759 1 552 . 1 . 1 147 147 ALA CB C 13 18.34 0.05 . 1 . . . . A 117 ALA CB . 34759 1 553 . 1 . 1 147 147 ALA N N 15 120.42 0.05 . 1 . . . . A 117 ALA N . 34759 1 554 . 1 . 1 148 148 PHE H H 1 8.35 0.05 . 1 . . . . A 118 PHE H . 34759 1 555 . 1 . 1 148 148 PHE C C 13 176.69 0.05 . 1 . . . . A 118 PHE C . 34759 1 556 . 1 . 1 148 148 PHE CA C 13 59.29 0.05 . 1 . . . . A 118 PHE CA . 34759 1 557 . 1 . 1 148 148 PHE CB C 13 37.98 0.05 . 1 . . . . A 118 PHE CB . 34759 1 558 . 1 . 1 148 148 PHE N N 15 119.95 0.05 . 1 . . . . A 118 PHE N . 34759 1 559 . 1 . 1 149 149 MET H H 1 7.88 0.05 . 1 . . . . A 119 MET H . 34759 1 560 . 1 . 1 149 149 MET HE1 H 1 2.04 0.05 . 1 . . . . A 119 MET HE1 . 34759 1 561 . 1 . 1 149 149 MET HE2 H 1 2.04 0.05 . 1 . . . . A 119 MET HE2 . 34759 1 562 . 1 . 1 149 149 MET HE3 H 1 2.04 0.05 . 1 . . . . A 119 MET HE3 . 34759 1 563 . 1 . 1 149 149 MET C C 13 179.22 0.05 . 1 . . . . A 119 MET C . 34759 1 564 . 1 . 1 149 149 MET CA C 13 59.82 0.05 . 1 . . . . A 119 MET CA . 34759 1 565 . 1 . 1 149 149 MET CB C 13 32.73 0.05 . 1 . . . . A 119 MET CB . 34759 1 566 . 1 . 1 149 149 MET CE C 13 16.78 0.05 . 1 . . . . A 119 MET CE . 34759 1 567 . 1 . 1 149 149 MET N N 15 117.19 0.05 . 1 . . . . A 119 MET N . 34759 1 568 . 1 . 1 150 150 GLU H H 1 8.11 0.05 . 1 . . . . A 120 GLU H . 34759 1 569 . 1 . 1 150 150 GLU C C 13 179.60 0.05 . 1 . . . . A 120 GLU C . 34759 1 570 . 1 . 1 150 150 GLU CA C 13 59.55 0.05 . 1 . . . . A 120 GLU CA . 34759 1 571 . 1 . 1 150 150 GLU CB C 13 29.22 0.05 . 1 . . . . A 120 GLU CB . 34759 1 572 . 1 . 1 150 150 GLU N N 15 118.53 0.05 . 1 . . . . A 120 GLU N . 34759 1 573 . 1 . 1 151 151 ALA H H 1 7.82 0.05 . 1 . . . . A 121 ALA H . 34759 1 574 . 1 . 1 151 151 ALA HB1 H 1 1.35 0.05 . 1 . . . . A 121 ALA HB1 . 34759 1 575 . 1 . 1 151 151 ALA HB2 H 1 1.35 0.05 . 1 . . . . A 121 ALA HB2 . 34759 1 576 . 1 . 1 151 151 ALA HB3 H 1 1.35 0.05 . 1 . . . . A 121 ALA HB3 . 34759 1 577 . 1 . 1 151 151 ALA C C 13 181.31 0.05 . 1 . . . . A 121 ALA C . 34759 1 578 . 1 . 1 151 151 ALA CA C 13 55.24 0.05 . 1 . . . . A 121 ALA CA . 34759 1 579 . 1 . 1 151 151 ALA CB C 13 16.94 0.05 . 1 . . . . A 121 ALA CB . 34759 1 580 . 1 . 1 151 151 ALA N N 15 123.94 0.05 . 1 . . . . A 121 ALA N . 34759 1 581 . 1 . 1 152 152 LEU H H 1 8.34 0.05 . 1 . . . . A 122 LEU H . 34759 1 582 . 1 . 1 152 152 LEU HD21 H 1 0.41 0.05 . 1 . . . . A 122 LEU HD21 . 34759 1 583 . 1 . 1 152 152 LEU HD22 H 1 0.41 0.05 . 1 . . . . A 122 LEU HD22 . 34759 1 584 . 1 . 1 152 152 LEU HD23 H 1 0.41 0.05 . 1 . . . . A 122 LEU HD23 . 34759 1 585 . 1 . 1 152 152 LEU C C 13 181.77 0.05 . 1 . . . . A 122 LEU C . 34759 1 586 . 1 . 1 152 152 LEU CA C 13 57.69 0.05 . 1 . . . . A 122 LEU CA . 34759 1 587 . 1 . 1 152 152 LEU CB C 13 41.65 0.05 . 1 . . . . A 122 LEU CB . 34759 1 588 . 1 . 1 152 152 LEU CD2 C 13 22.74 0.05 . 1 . . . . A 122 LEU CD2 . 34759 1 589 . 1 . 1 152 152 LEU N N 15 119.95 0.05 . 1 . . . . A 122 LEU N . 34759 1 590 . 1 . 1 153 153 GLN H H 1 7.83 0.05 . 1 . . . . A 123 GLN H . 34759 1 591 . 1 . 1 153 153 GLN C C 13 176.92 0.05 . 1 . . . . A 123 GLN C . 34759 1 592 . 1 . 1 153 153 GLN CA C 13 58.44 0.05 . 1 . . . . A 123 GLN CA . 34759 1 593 . 1 . 1 153 153 GLN CB C 13 28.43 0.05 . 1 . . . . A 123 GLN CB . 34759 1 594 . 1 . 1 153 153 GLN N N 15 119.22 0.05 . 1 . . . . A 123 GLN N . 34759 1 595 . 1 . 1 154 154 ALA H H 1 7.43 0.05 . 1 . . . . A 124 ALA H . 34759 1 596 . 1 . 1 154 154 ALA HB1 H 1 1.51 0.05 . 1 . . . . A 124 ALA HB1 . 34759 1 597 . 1 . 1 154 154 ALA HB2 H 1 1.51 0.05 . 1 . . . . A 124 ALA HB2 . 34759 1 598 . 1 . 1 154 154 ALA HB3 H 1 1.51 0.05 . 1 . . . . A 124 ALA HB3 . 34759 1 599 . 1 . 1 154 154 ALA C C 13 177.85 0.05 . 1 . . . . A 124 ALA C . 34759 1 600 . 1 . 1 154 154 ALA CA C 13 52.04 0.05 . 1 . . . . A 124 ALA CA . 34759 1 601 . 1 . 1 154 154 ALA CB C 13 18.93 0.05 . 1 . . . . A 124 ALA CB . 34759 1 602 . 1 . 1 154 154 ALA N N 15 120.13 0.05 . 1 . . . . A 124 ALA N . 34759 1 603 . 1 . 1 155 155 GLY H H 1 7.68 0.05 . 1 . . . . A 125 GLY H . 34759 1 604 . 1 . 1 155 155 GLY C C 13 175.04 0.05 . 1 . . . . A 125 GLY C . 34759 1 605 . 1 . 1 155 155 GLY CA C 13 45.71 0.05 . 1 . . . . A 125 GLY CA . 34759 1 606 . 1 . 1 155 155 GLY N N 15 105.96 0.05 . 1 . . . . A 125 GLY N . 34759 1 607 . 1 . 1 156 156 ALA H H 1 8.14 0.05 . 1 . . . . A 126 ALA H . 34759 1 608 . 1 . 1 156 156 ALA HB1 H 1 1.27 0.05 . 1 . . . . A 126 ALA HB1 . 34759 1 609 . 1 . 1 156 156 ALA HB2 H 1 1.27 0.05 . 1 . . . . A 126 ALA HB2 . 34759 1 610 . 1 . 1 156 156 ALA HB3 H 1 1.27 0.05 . 1 . . . . A 126 ALA HB3 . 34759 1 611 . 1 . 1 156 156 ALA C C 13 175.72 0.05 . 1 . . . . A 126 ALA C . 34759 1 612 . 1 . 1 156 156 ALA CA C 13 52.51 0.05 . 1 . . . . A 126 ALA CA . 34759 1 613 . 1 . 1 156 156 ALA CB C 13 19.54 0.05 . 1 . . . . A 126 ALA CB . 34759 1 614 . 1 . 1 156 156 ALA N N 15 123.09 0.05 . 1 . . . . A 126 ALA N . 34759 1 615 . 1 . 1 157 157 ASP H H 1 8.17 0.05 . 1 . . . . A 127 ASP H . 34759 1 616 . 1 . 1 157 157 ASP C C 13 177.29 0.05 . 1 . . . . A 127 ASP C . 34759 1 617 . 1 . 1 157 157 ASP CA C 13 53.97 0.05 . 1 . . . . A 127 ASP CA . 34759 1 618 . 1 . 1 157 157 ASP CB C 13 44.34 0.05 . 1 . . . . A 127 ASP CB . 34759 1 619 . 1 . 1 157 157 ASP N N 15 118.35 0.05 . 1 . . . . A 127 ASP N . 34759 1 620 . 1 . 1 158 158 ILE H H 1 7.75 0.05 . 1 . . . . A 128 ILE H . 34759 1 621 . 1 . 1 158 158 ILE HD11 H 1 0.65 0.05 . 1 . . . . A 128 ILE HD11 . 34759 1 622 . 1 . 1 158 158 ILE HD12 H 1 0.65 0.05 . 1 . . . . A 128 ILE HD12 . 34759 1 623 . 1 . 1 158 158 ILE HD13 H 1 0.65 0.05 . 1 . . . . A 128 ILE HD13 . 34759 1 624 . 1 . 1 158 158 ILE C C 13 175.46 0.05 . 1 . . . . A 128 ILE C . 34759 1 625 . 1 . 1 158 158 ILE CA C 13 62.06 0.05 . 1 . . . . A 128 ILE CA . 34759 1 626 . 1 . 1 158 158 ILE CB C 13 38.27 0.05 . 1 . . . . A 128 ILE CB . 34759 1 627 . 1 . 1 158 158 ILE CD1 C 13 13.65 0.05 . 1 . . . . A 128 ILE CD1 . 34759 1 628 . 1 . 1 158 158 ILE N N 15 122.93 0.05 . 1 . . . . A 128 ILE N . 34759 1 629 . 1 . 1 159 159 SER H H 1 8.57 0.05 . 1 . . . . A 129 SER H . 34759 1 630 . 1 . 1 159 159 SER C C 13 175.98 0.05 . 1 . . . . A 129 SER C . 34759 1 631 . 1 . 1 159 159 SER CA C 13 60.77 0.05 . 1 . . . . A 129 SER CA . 34759 1 632 . 1 . 1 159 159 SER CB C 13 63.06 0.05 . 1 . . . . A 129 SER CB . 34759 1 633 . 1 . 1 159 159 SER N N 15 114.20 0.05 . 1 . . . . A 129 SER N . 34759 1 634 . 1 . 1 160 160 MET H H 1 8.01 0.05 . 1 . . . . A 130 MET H . 34759 1 635 . 1 . 1 160 160 MET HE1 H 1 2.21 0.05 . 1 . . . . A 130 MET HE1 . 34759 1 636 . 1 . 1 160 160 MET HE2 H 1 2.21 0.05 . 1 . . . . A 130 MET HE2 . 34759 1 637 . 1 . 1 160 160 MET HE3 H 1 2.21 0.05 . 1 . . . . A 130 MET HE3 . 34759 1 638 . 1 . 1 160 160 MET CA C 13 56.78 0.05 . 1 . . . . A 130 MET CA . 34759 1 639 . 1 . 1 160 160 MET CB C 13 32.83 0.05 . 1 . . . . A 130 MET CB . 34759 1 640 . 1 . 1 160 160 MET CE C 13 17.14 0.05 . 1 . . . . A 130 MET CE . 34759 1 641 . 1 . 1 160 160 MET N N 15 119.91 0.05 . 1 . . . . A 130 MET N . 34759 1 642 . 1 . 1 161 161 ILE HD11 H 1 0.68 0.05 . 1 . . . . A 131 ILE HD11 . 34759 1 643 . 1 . 1 161 161 ILE HD12 H 1 0.68 0.05 . 1 . . . . A 131 ILE HD12 . 34759 1 644 . 1 . 1 161 161 ILE HD13 H 1 0.68 0.05 . 1 . . . . A 131 ILE HD13 . 34759 1 645 . 1 . 1 161 161 ILE CA C 13 65.42 0.05 . 1 . . . . A 131 ILE CA . 34759 1 646 . 1 . 1 161 161 ILE CB C 13 37.68 0.05 . 1 . . . . A 131 ILE CB . 34759 1 647 . 1 . 1 161 161 ILE CD1 C 13 14.83 0.05 . 1 . . . . A 131 ILE CD1 . 34759 1 648 . 1 . 1 162 162 GLY C C 13 177.86 0.05 . 1 . . . . A 132 GLY C . 34759 1 649 . 1 . 1 162 162 GLY CA C 13 47.18 0.05 . 1 . . . . A 132 GLY CA . 34759 1 650 . 1 . 1 163 163 GLN H H 1 8.02 0.05 . 1 . . . . A 133 GLN H . 34759 1 651 . 1 . 1 163 163 GLN C C 13 176.87 0.05 . 1 . . . . A 133 GLN C . 34759 1 652 . 1 . 1 163 163 GLN CA C 13 57.32 0.05 . 1 . . . . A 133 GLN CA . 34759 1 653 . 1 . 1 163 163 GLN CB C 13 28.06 0.05 . 1 . . . . A 133 GLN CB . 34759 1 654 . 1 . 1 163 163 GLN N N 15 120.00 0.05 . 1 . . . . A 133 GLN N . 34759 1 655 . 1 . 1 164 164 PHE H H 1 7.37 0.05 . 1 . . . . A 134 PHE H . 34759 1 656 . 1 . 1 164 164 PHE C C 13 176.30 0.05 . 1 . . . . A 134 PHE C . 34759 1 657 . 1 . 1 164 164 PHE CA C 13 58.04 0.05 . 1 . . . . A 134 PHE CA . 34759 1 658 . 1 . 1 164 164 PHE CB C 13 39.88 0.05 . 1 . . . . A 134 PHE CB . 34759 1 659 . 1 . 1 164 164 PHE N N 15 115.47 0.05 . 1 . . . . A 134 PHE N . 34759 1 660 . 1 . 1 165 165 GLY H H 1 7.67 0.05 . 1 . . . . A 135 GLY H . 34759 1 661 . 1 . 1 165 165 GLY C C 13 174.91 0.05 . 1 . . . . A 135 GLY C . 34759 1 662 . 1 . 1 165 165 GLY CA C 13 46.93 0.05 . 1 . . . . A 135 GLY CA . 34759 1 663 . 1 . 1 165 165 GLY N N 15 105.50 0.05 . 1 . . . . A 135 GLY N . 34759 1 664 . 1 . 1 166 166 VAL H H 1 6.63 0.05 . 1 . . . . A 136 VAL H . 34759 1 665 . 1 . 1 166 166 VAL HG21 H 1 0.57 0.05 . 1 . . . . A 136 VAL HG21 . 34759 1 666 . 1 . 1 166 166 VAL HG22 H 1 0.57 0.05 . 1 . . . . A 136 VAL HG22 . 34759 1 667 . 1 . 1 166 166 VAL HG23 H 1 0.57 0.05 . 1 . . . . A 136 VAL HG23 . 34759 1 668 . 1 . 1 166 166 VAL C C 13 175.72 0.05 . 1 . . . . A 136 VAL C . 34759 1 669 . 1 . 1 166 166 VAL CA C 13 60.11 0.05 . 1 . . . . A 136 VAL CA . 34759 1 670 . 1 . 1 166 166 VAL CB C 13 31.27 0.05 . 1 . . . . A 136 VAL CB . 34759 1 671 . 1 . 1 166 166 VAL CG2 C 13 18.00 0.05 . 1 . . . . A 136 VAL CG2 . 34759 1 672 . 1 . 1 166 166 VAL N N 15 108.12 0.05 . 1 . . . . A 136 VAL N . 34759 1 673 . 1 . 1 167 167 GLY H H 1 8.77 0.05 . 1 . . . . A 137 GLY H . 34759 1 674 . 1 . 1 167 167 GLY C C 13 175.81 0.05 . 1 . . . . A 137 GLY C . 34759 1 675 . 1 . 1 167 167 GLY CA C 13 48.04 0.05 . 1 . . . . A 137 GLY CA . 34759 1 676 . 1 . 1 167 167 GLY N N 15 107.56 0.05 . 1 . . . . A 137 GLY N . 34759 1 677 . 1 . 1 168 168 PHE H H 1 9.14 0.05 . 1 . . . . A 138 PHE H . 34759 1 678 . 1 . 1 168 168 PHE C C 13 175.20 0.05 . 1 . . . . A 138 PHE C . 34759 1 679 . 1 . 1 168 168 PHE CA C 13 61.24 0.05 . 1 . . . . A 138 PHE CA . 34759 1 680 . 1 . 1 168 168 PHE CB C 13 39.89 0.05 . 1 . . . . A 138 PHE CB . 34759 1 681 . 1 . 1 168 168 PHE N N 15 123.51 0.05 . 1 . . . . A 138 PHE N . 34759 1 682 . 1 . 1 169 169 TYR H H 1 7.17 0.05 . 1 . . . . A 139 TYR H . 34759 1 683 . 1 . 1 169 169 TYR C C 13 177.25 0.05 . 1 . . . . A 139 TYR C . 34759 1 684 . 1 . 1 169 169 TYR CA C 13 61.62 0.05 . 1 . . . . A 139 TYR CA . 34759 1 685 . 1 . 1 169 169 TYR CB C 13 37.11 0.05 . 1 . . . . A 139 TYR CB . 34759 1 686 . 1 . 1 169 169 TYR N N 15 110.08 0.05 . 1 . . . . A 139 TYR N . 34759 1 687 . 1 . 1 170 170 SER H H 1 8.02 0.05 . 1 . . . . A 140 SER H . 34759 1 688 . 1 . 1 170 170 SER CA C 13 62.10 0.05 . 1 . . . . A 140 SER CA . 34759 1 689 . 1 . 1 170 170 SER N N 15 114.11 0.05 . 1 . . . . A 140 SER N . 34759 1 690 . 1 . 1 171 171 ALA H H 1 8.03 0.05 . 1 . . . . A 141 ALA H . 34759 1 691 . 1 . 1 171 171 ALA HB1 H 1 0.82 0.05 . 1 . . . . A 141 ALA HB1 . 34759 1 692 . 1 . 1 171 171 ALA HB2 H 1 0.82 0.05 . 1 . . . . A 141 ALA HB2 . 34759 1 693 . 1 . 1 171 171 ALA HB3 H 1 0.82 0.05 . 1 . . . . A 141 ALA HB3 . 34759 1 694 . 1 . 1 171 171 ALA C C 13 178.98 0.05 . 1 . . . . A 141 ALA C . 34759 1 695 . 1 . 1 171 171 ALA CA C 13 55.35 0.05 . 1 . . . . A 141 ALA CA . 34759 1 696 . 1 . 1 171 171 ALA CB C 13 18.80 0.05 . 1 . . . . A 141 ALA CB . 34759 1 697 . 1 . 1 171 171 ALA N N 15 125.13 0.05 . 1 . . . . A 141 ALA N . 34759 1 698 . 1 . 1 172 172 TYR H H 1 7.42 0.05 . 1 . . . . A 142 TYR H . 34759 1 699 . 1 . 1 172 172 TYR C C 13 175.67 0.05 . 1 . . . . A 142 TYR C . 34759 1 700 . 1 . 1 172 172 TYR CA C 13 61.02 0.05 . 1 . . . . A 142 TYR CA . 34759 1 701 . 1 . 1 172 172 TYR CB C 13 36.40 0.05 . 1 . . . . A 142 TYR CB . 34759 1 702 . 1 . 1 172 172 TYR N N 15 111.84 0.05 . 1 . . . . A 142 TYR N . 34759 1 703 . 1 . 1 173 173 LEU H H 1 8.08 0.05 . 1 . . . . A 143 LEU H . 34759 1 704 . 1 . 1 173 173 LEU HD21 H 1 1.06 0.05 . 1 . . . . A 143 LEU HD21 . 34759 1 705 . 1 . 1 173 173 LEU HD22 H 1 1.06 0.05 . 1 . . . . A 143 LEU HD22 . 34759 1 706 . 1 . 1 173 173 LEU HD23 H 1 1.06 0.05 . 1 . . . . A 143 LEU HD23 . 34759 1 707 . 1 . 1 173 173 LEU C C 13 178.96 0.05 . 1 . . . . A 143 LEU C . 34759 1 708 . 1 . 1 173 173 LEU CA C 13 57.69 0.05 . 1 . . . . A 143 LEU CA . 34759 1 709 . 1 . 1 173 173 LEU CB C 13 43.83 0.05 . 1 . . . . A 143 LEU CB . 34759 1 710 . 1 . 1 173 173 LEU CD2 C 13 24.56 0.05 . 1 . . . . A 143 LEU CD2 . 34759 1 711 . 1 . 1 173 173 LEU N N 15 118.40 0.05 . 1 . . . . A 143 LEU N . 34759 1 712 . 1 . 1 174 174 VAL H H 1 6.62 0.05 . 1 . . . . A 144 VAL H . 34759 1 713 . 1 . 1 174 174 VAL HG21 H 1 -0.58 0.05 . 1 . . . . A 144 VAL HG21 . 34759 1 714 . 1 . 1 174 174 VAL HG22 H 1 -0.58 0.05 . 1 . . . . A 144 VAL HG22 . 34759 1 715 . 1 . 1 174 174 VAL HG23 H 1 -0.58 0.05 . 1 . . . . A 144 VAL HG23 . 34759 1 716 . 1 . 1 174 174 VAL C C 13 173.58 0.05 . 1 . . . . A 144 VAL C . 34759 1 717 . 1 . 1 174 174 VAL CA C 13 60.49 0.05 . 1 . . . . A 144 VAL CA . 34759 1 718 . 1 . 1 174 174 VAL CB C 13 33.69 0.05 . 1 . . . . A 144 VAL CB . 34759 1 719 . 1 . 1 174 174 VAL CG2 C 13 15.86 0.05 . 1 . . . . A 144 VAL CG2 . 34759 1 720 . 1 . 1 174 174 VAL N N 15 102.45 0.05 . 1 . . . . A 144 VAL N . 34759 1 721 . 1 . 1 175 175 ALA H H 1 7.72 0.05 . 1 . . . . A 145 ALA H . 34759 1 722 . 1 . 1 175 175 ALA HB1 H 1 0.92 0.05 . 1 . . . . A 145 ALA HB1 . 34759 1 723 . 1 . 1 175 175 ALA HB2 H 1 0.92 0.05 . 1 . . . . A 145 ALA HB2 . 34759 1 724 . 1 . 1 175 175 ALA HB3 H 1 0.92 0.05 . 1 . . . . A 145 ALA HB3 . 34759 1 725 . 1 . 1 175 175 ALA C C 13 175.81 0.05 . 1 . . . . A 145 ALA C . 34759 1 726 . 1 . 1 175 175 ALA CA C 13 50.93 0.05 . 1 . . . . A 145 ALA CA . 34759 1 727 . 1 . 1 175 175 ALA CB C 13 21.92 0.05 . 1 . . . . A 145 ALA CB . 34759 1 728 . 1 . 1 175 175 ALA N N 15 124.12 0.05 . 1 . . . . A 145 ALA N . 34759 1 729 . 1 . 1 176 176 GLU H H 1 8.54 0.05 . 1 . . . . A 146 GLU H . 34759 1 730 . 1 . 1 176 176 GLU C C 13 175.52 0.05 . 1 . . . . A 146 GLU C . 34759 1 731 . 1 . 1 176 176 GLU CA C 13 56.12 0.05 . 1 . . . . A 146 GLU CA . 34759 1 732 . 1 . 1 176 176 GLU CB C 13 30.84 0.05 . 1 . . . . A 146 GLU CB . 34759 1 733 . 1 . 1 176 176 GLU N N 15 117.76 0.05 . 1 . . . . A 146 GLU N . 34759 1 734 . 1 . 1 177 177 LYS H H 1 7.44 0.05 . 1 . . . . A 147 LYS H . 34759 1 735 . 1 . 1 177 177 LYS C C 13 173.36 0.05 . 1 . . . . A 147 LYS C . 34759 1 736 . 1 . 1 177 177 LYS CA C 13 56.02 0.05 . 1 . . . . A 147 LYS CA . 34759 1 737 . 1 . 1 177 177 LYS CB C 13 35.50 0.05 . 1 . . . . A 147 LYS CB . 34759 1 738 . 1 . 1 177 177 LYS N N 15 116.76 0.05 . 1 . . . . A 147 LYS N . 34759 1 739 . 1 . 1 178 178 VAL H H 1 8.08 0.05 . 1 . . . . A 148 VAL H . 34759 1 740 . 1 . 1 178 178 VAL HG21 H 1 0.17 0.05 . 1 . . . . A 148 VAL HG21 . 34759 1 741 . 1 . 1 178 178 VAL HG22 H 1 0.17 0.05 . 1 . . . . A 148 VAL HG22 . 34759 1 742 . 1 . 1 178 178 VAL HG23 H 1 0.17 0.05 . 1 . . . . A 148 VAL HG23 . 34759 1 743 . 1 . 1 178 178 VAL C C 13 174.18 0.05 . 1 . . . . A 148 VAL C . 34759 1 744 . 1 . 1 178 178 VAL CA C 13 61.91 0.05 . 1 . . . . A 148 VAL CA . 34759 1 745 . 1 . 1 178 178 VAL CB C 13 35.59 0.05 . 1 . . . . A 148 VAL CB . 34759 1 746 . 1 . 1 178 178 VAL CG2 C 13 23.04 0.05 . 1 . . . . A 148 VAL CG2 . 34759 1 747 . 1 . 1 178 178 VAL N N 15 125.74 0.05 . 1 . . . . A 148 VAL N . 34759 1 748 . 1 . 1 179 179 THR H H 1 9.10 0.05 . 1 . . . . A 149 THR H . 34759 1 749 . 1 . 1 179 179 THR HG21 H 1 1.49 0.05 . 1 . . . . A 149 THR HG21 . 34759 1 750 . 1 . 1 179 179 THR HG22 H 1 1.49 0.05 . 1 . . . . A 149 THR HG22 . 34759 1 751 . 1 . 1 179 179 THR HG23 H 1 1.49 0.05 . 1 . . . . A 149 THR HG23 . 34759 1 752 . 1 . 1 179 179 THR C C 13 173.46 0.05 . 1 . . . . A 149 THR C . 34759 1 753 . 1 . 1 179 179 THR CA C 13 61.85 0.05 . 1 . . . . A 149 THR CA . 34759 1 754 . 1 . 1 179 179 THR CB C 13 71.12 0.05 . 1 . . . . A 149 THR CB . 34759 1 755 . 1 . 1 179 179 THR CG2 C 13 21.57 0.05 . 1 . . . . A 149 THR CG2 . 34759 1 756 . 1 . 1 179 179 THR N N 15 124.69 0.05 . 1 . . . . A 149 THR N . 34759 1 757 . 1 . 1 180 180 VAL H H 1 10.52 0.05 . 1 . . . . A 150 VAL H . 34759 1 758 . 1 . 1 180 180 VAL HG21 H 1 0.84 0.05 . 1 . . . . A 150 VAL HG21 . 34759 1 759 . 1 . 1 180 180 VAL HG22 H 1 0.84 0.05 . 1 . . . . A 150 VAL HG22 . 34759 1 760 . 1 . 1 180 180 VAL HG23 H 1 0.84 0.05 . 1 . . . . A 150 VAL HG23 . 34759 1 761 . 1 . 1 180 180 VAL C C 13 174.58 0.05 . 1 . . . . A 150 VAL C . 34759 1 762 . 1 . 1 180 180 VAL CA C 13 61.42 0.05 . 1 . . . . A 150 VAL CA . 34759 1 763 . 1 . 1 180 180 VAL CB C 13 34.67 0.05 . 1 . . . . A 150 VAL CB . 34759 1 764 . 1 . 1 180 180 VAL CG2 C 13 22.49 0.05 . 1 . . . . A 150 VAL CG2 . 34759 1 765 . 1 . 1 180 180 VAL N N 15 128.19 0.05 . 1 . . . . A 150 VAL N . 34759 1 766 . 1 . 1 181 181 ILE H H 1 9.65 0.05 . 1 . . . . A 151 ILE H . 34759 1 767 . 1 . 1 181 181 ILE HD11 H 1 0.91 0.05 . 1 . . . . A 151 ILE HD11 . 34759 1 768 . 1 . 1 181 181 ILE HD12 H 1 0.91 0.05 . 1 . . . . A 151 ILE HD12 . 34759 1 769 . 1 . 1 181 181 ILE HD13 H 1 0.91 0.05 . 1 . . . . A 151 ILE HD13 . 34759 1 770 . 1 . 1 181 181 ILE C C 13 175.62 0.05 . 1 . . . . A 151 ILE C . 34759 1 771 . 1 . 1 181 181 ILE CA C 13 59.22 0.05 . 1 . . . . A 151 ILE CA . 34759 1 772 . 1 . 1 181 181 ILE CB C 13 39.48 0.05 . 1 . . . . A 151 ILE CB . 34759 1 773 . 1 . 1 181 181 ILE CD1 C 13 13.18 0.05 . 1 . . . . A 151 ILE CD1 . 34759 1 774 . 1 . 1 181 181 ILE N N 15 128.45 0.05 . 1 . . . . A 151 ILE N . 34759 1 775 . 1 . 1 182 182 THR H H 1 9.20 0.05 . 1 . . . . A 152 THR H . 34759 1 776 . 1 . 1 182 182 THR HG21 H 1 1.43 0.05 . 1 . . . . A 152 THR HG21 . 34759 1 777 . 1 . 1 182 182 THR HG22 H 1 1.43 0.05 . 1 . . . . A 152 THR HG22 . 34759 1 778 . 1 . 1 182 182 THR HG23 H 1 1.43 0.05 . 1 . . . . A 152 THR HG23 . 34759 1 779 . 1 . 1 182 182 THR C C 13 169.69 0.05 . 1 . . . . A 152 THR C . 34759 1 780 . 1 . 1 182 182 THR CA C 13 59.96 0.05 . 1 . . . . A 152 THR CA . 34759 1 781 . 1 . 1 182 182 THR CB C 13 71.58 0.05 . 1 . . . . A 152 THR CB . 34759 1 782 . 1 . 1 182 182 THR CG2 C 13 19.74 0.05 . 1 . . . . A 152 THR CG2 . 34759 1 783 . 1 . 1 182 182 THR N N 15 121.87 0.05 . 1 . . . . A 152 THR N . 34759 1 784 . 1 . 1 183 183 LYS H H 1 8.94 0.05 . 1 . . . . A 153 LYS H . 34759 1 785 . 1 . 1 183 183 LYS C C 13 172.42 0.05 . 1 . . . . A 153 LYS C . 34759 1 786 . 1 . 1 183 183 LYS CA C 13 55.06 0.05 . 1 . . . . A 153 LYS CA . 34759 1 787 . 1 . 1 183 183 LYS CB C 13 37.04 0.05 . 1 . . . . A 153 LYS CB . 34759 1 788 . 1 . 1 183 183 LYS N N 15 127.24 0.05 . 1 . . . . A 153 LYS N . 34759 1 789 . 1 . 1 184 184 HIS H H 1 9.73 0.05 . 1 . . . . A 154 HIS H . 34759 1 790 . 1 . 1 184 184 HIS C C 13 176.68 0.05 . 1 . . . . A 154 HIS C . 34759 1 791 . 1 . 1 184 184 HIS CA C 13 54.36 0.05 . 1 . . . . A 154 HIS CA . 34759 1 792 . 1 . 1 184 184 HIS N N 15 131.65 0.05 . 1 . . . . A 154 HIS N . 34759 1 793 . 1 . 1 187 187 ASP C C 13 178.77 0.05 . 1 . . . . A 157 ASP C . 34759 1 794 . 1 . 1 187 187 ASP CA C 13 52.75 0.05 . 1 . . . . A 157 ASP CA . 34759 1 795 . 1 . 1 187 187 ASP CB C 13 46.01 0.05 . 1 . . . . A 157 ASP CB . 34759 1 796 . 1 . 1 188 188 GLU H H 1 9.38 0.05 . 1 . . . . A 158 GLU H . 34759 1 797 . 1 . 1 188 188 GLU C C 13 173.12 0.05 . 1 . . . . A 158 GLU C . 34759 1 798 . 1 . 1 188 188 GLU CA C 13 54.59 0.05 . 1 . . . . A 158 GLU CA . 34759 1 799 . 1 . 1 188 188 GLU CB C 13 30.81 0.05 . 1 . . . . A 158 GLU CB . 34759 1 800 . 1 . 1 188 188 GLU N N 15 117.63 0.05 . 1 . . . . A 158 GLU N . 34759 1 801 . 1 . 1 189 189 GLN H H 1 8.16 0.05 . 1 . . . . A 159 GLN H . 34759 1 802 . 1 . 1 189 189 GLN C C 13 176.30 0.05 . 1 . . . . A 159 GLN C . 34759 1 803 . 1 . 1 189 189 GLN CA C 13 56.25 0.05 . 1 . . . . A 159 GLN CA . 34759 1 804 . 1 . 1 189 189 GLN CB C 13 30.83 0.05 . 1 . . . . A 159 GLN CB . 34759 1 805 . 1 . 1 189 189 GLN N N 15 119.34 0.05 . 1 . . . . A 159 GLN N . 34759 1 806 . 1 . 1 190 190 TYR H H 1 8.71 0.05 . 1 . . . . A 160 TYR H . 34759 1 807 . 1 . 1 190 190 TYR C C 13 173.88 0.05 . 1 . . . . A 160 TYR C . 34759 1 808 . 1 . 1 190 190 TYR CA C 13 58.59 0.05 . 1 . . . . A 160 TYR CA . 34759 1 809 . 1 . 1 190 190 TYR CB C 13 44.64 0.05 . 1 . . . . A 160 TYR CB . 34759 1 810 . 1 . 1 190 190 TYR N N 15 124.23 0.05 . 1 . . . . A 160 TYR N . 34759 1 811 . 1 . 1 191 191 ALA H H 1 9.34 0.05 . 1 . . . . A 161 ALA H . 34759 1 812 . 1 . 1 191 191 ALA HB1 H 1 1.32 0.05 . 1 . . . . A 161 ALA HB1 . 34759 1 813 . 1 . 1 191 191 ALA HB2 H 1 1.32 0.05 . 1 . . . . A 161 ALA HB2 . 34759 1 814 . 1 . 1 191 191 ALA HB3 H 1 1.32 0.05 . 1 . . . . A 161 ALA HB3 . 34759 1 815 . 1 . 1 191 191 ALA C C 13 176.14 0.05 . 1 . . . . A 161 ALA C . 34759 1 816 . 1 . 1 191 191 ALA CA C 13 50.75 0.05 . 1 . . . . A 161 ALA CA . 34759 1 817 . 1 . 1 191 191 ALA CB C 13 22.07 0.05 . 1 . . . . A 161 ALA CB . 34759 1 818 . 1 . 1 191 191 ALA N N 15 119.64 0.05 . 1 . . . . A 161 ALA N . 34759 1 819 . 1 . 1 192 192 TRP H H 1 10.39 0.05 . 1 . . . . A 162 TRP H . 34759 1 820 . 1 . 1 192 192 TRP C C 13 176.27 0.05 . 1 . . . . A 162 TRP C . 34759 1 821 . 1 . 1 192 192 TRP CA C 13 55.27 0.05 . 1 . . . . A 162 TRP CA . 34759 1 822 . 1 . 1 192 192 TRP CB C 13 35.60 0.05 . 1 . . . . A 162 TRP CB . 34759 1 823 . 1 . 1 192 192 TRP N N 15 130.02 0.05 . 1 . . . . A 162 TRP N . 34759 1 824 . 1 . 1 193 193 GLU H H 1 8.68 0.05 . 1 . . . . A 163 GLU H . 34759 1 825 . 1 . 1 193 193 GLU C C 13 175.35 0.05 . 1 . . . . A 163 GLU C . 34759 1 826 . 1 . 1 193 193 GLU CA C 13 56.62 0.05 . 1 . . . . A 163 GLU CA . 34759 1 827 . 1 . 1 193 193 GLU CB C 13 34.60 0.05 . 1 . . . . A 163 GLU CB . 34759 1 828 . 1 . 1 193 193 GLU N N 15 126.16 0.05 . 1 . . . . A 163 GLU N . 34759 1 829 . 1 . 1 194 194 SER H H 1 8.27 0.05 . 1 . . . . A 164 SER H . 34759 1 830 . 1 . 1 194 194 SER C C 13 177.20 0.05 . 1 . . . . A 164 SER C . 34759 1 831 . 1 . 1 194 194 SER CA C 13 59.64 0.05 . 1 . . . . A 164 SER CA . 34759 1 832 . 1 . 1 194 194 SER CB C 13 66.38 0.05 . 1 . . . . A 164 SER CB . 34759 1 833 . 1 . 1 194 194 SER N N 15 113.26 0.05 . 1 . . . . A 164 SER N . 34759 1 834 . 1 . 1 195 195 SER C C 13 173.57 0.05 . 1 . . . . A 165 SER C . 34759 1 835 . 1 . 1 195 195 SER CA C 13 58.25 0.05 . 1 . . . . A 165 SER CA . 34759 1 836 . 1 . 1 195 195 SER CB C 13 62.81 0.05 . 1 . . . . A 165 SER CB . 34759 1 837 . 1 . 1 196 196 ALA H H 1 9.13 0.05 . 1 . . . . A 166 ALA H . 34759 1 838 . 1 . 1 196 196 ALA HB1 H 1 1.26 0.05 . 1 . . . . A 166 ALA HB1 . 34759 1 839 . 1 . 1 196 196 ALA HB2 H 1 1.26 0.05 . 1 . . . . A 166 ALA HB2 . 34759 1 840 . 1 . 1 196 196 ALA HB3 H 1 1.26 0.05 . 1 . . . . A 166 ALA HB3 . 34759 1 841 . 1 . 1 196 196 ALA C C 13 176.98 0.05 . 1 . . . . A 166 ALA C . 34759 1 842 . 1 . 1 196 196 ALA CA C 13 53.83 0.05 . 1 . . . . A 166 ALA CA . 34759 1 843 . 1 . 1 196 196 ALA CB C 13 17.01 0.05 . 1 . . . . A 166 ALA CB . 34759 1 844 . 1 . 1 196 196 ALA N N 15 119.55 0.05 . 1 . . . . A 166 ALA N . 34759 1 845 . 1 . 1 197 197 GLY H H 1 8.49 0.05 . 1 . . . . A 167 GLY H . 34759 1 846 . 1 . 1 197 197 GLY C C 13 175.94 0.05 . 1 . . . . A 167 GLY C . 34759 1 847 . 1 . 1 197 197 GLY CA C 13 46.14 0.05 . 1 . . . . A 167 GLY CA . 34759 1 848 . 1 . 1 197 197 GLY N N 15 106.76 0.05 . 1 . . . . A 167 GLY N . 34759 1 849 . 1 . 1 198 198 GLY H H 1 8.52 0.05 . 1 . . . . A 168 GLY H . 34759 1 850 . 1 . 1 198 198 GLY C C 13 174.80 0.05 . 1 . . . . A 168 GLY C . 34759 1 851 . 1 . 1 198 198 GLY CA C 13 46.29 0.05 . 1 . . . . A 168 GLY CA . 34759 1 852 . 1 . 1 198 198 GLY N N 15 106.26 0.05 . 1 . . . . A 168 GLY N . 34759 1 853 . 1 . 1 199 199 SER H H 1 7.81 0.05 . 1 . . . . A 169 SER H . 34759 1 854 . 1 . 1 199 199 SER C C 13 171.97 0.05 . 1 . . . . A 169 SER C . 34759 1 855 . 1 . 1 199 199 SER CA C 13 57.10 0.05 . 1 . . . . A 169 SER CA . 34759 1 856 . 1 . 1 199 199 SER CB C 13 67.30 0.05 . 1 . . . . A 169 SER CB . 34759 1 857 . 1 . 1 199 199 SER N N 15 115.37 0.05 . 1 . . . . A 169 SER N . 34759 1 858 . 1 . 1 200 200 PHE H H 1 8.82 0.05 . 1 . . . . A 170 PHE H . 34759 1 859 . 1 . 1 200 200 PHE C C 13 172.66 0.05 . 1 . . . . A 170 PHE C . 34759 1 860 . 1 . 1 200 200 PHE CA C 13 55.18 0.05 . 1 . . . . A 170 PHE CA . 34759 1 861 . 1 . 1 200 200 PHE CB C 13 41.89 0.05 . 1 . . . . A 170 PHE CB . 34759 1 862 . 1 . 1 200 200 PHE N N 15 119.35 0.05 . 1 . . . . A 170 PHE N . 34759 1 863 . 1 . 1 201 201 THR H H 1 8.81 0.05 . 1 . . . . A 171 THR H . 34759 1 864 . 1 . 1 201 201 THR HG21 H 1 1.11 0.05 . 1 . . . . A 171 THR HG21 . 34759 1 865 . 1 . 1 201 201 THR HG22 H 1 1.11 0.05 . 1 . . . . A 171 THR HG22 . 34759 1 866 . 1 . 1 201 201 THR HG23 H 1 1.11 0.05 . 1 . . . . A 171 THR HG23 . 34759 1 867 . 1 . 1 201 201 THR C C 13 174.98 0.05 . 1 . . . . A 171 THR C . 34759 1 868 . 1 . 1 201 201 THR CA C 13 58.96 0.05 . 1 . . . . A 171 THR CA . 34759 1 869 . 1 . 1 201 201 THR CB C 13 72.95 0.05 . 1 . . . . A 171 THR CB . 34759 1 870 . 1 . 1 201 201 THR CG2 C 13 21.60 0.05 . 1 . . . . A 171 THR CG2 . 34759 1 871 . 1 . 1 201 201 THR N N 15 109.21 0.05 . 1 . . . . A 171 THR N . 34759 1 872 . 1 . 1 202 202 VAL H H 1 8.91 0.05 . 1 . . . . A 172 VAL H . 34759 1 873 . 1 . 1 202 202 VAL HG21 H 1 1.25 0.05 . 1 . . . . A 172 VAL HG21 . 34759 1 874 . 1 . 1 202 202 VAL HG22 H 1 1.25 0.05 . 1 . . . . A 172 VAL HG22 . 34759 1 875 . 1 . 1 202 202 VAL HG23 H 1 1.25 0.05 . 1 . . . . A 172 VAL HG23 . 34759 1 876 . 1 . 1 202 202 VAL C C 13 174.90 0.05 . 1 . . . . A 172 VAL C . 34759 1 877 . 1 . 1 202 202 VAL CA C 13 61.95 0.05 . 1 . . . . A 172 VAL CA . 34759 1 878 . 1 . 1 202 202 VAL CB C 13 36.62 0.05 . 1 . . . . A 172 VAL CB . 34759 1 879 . 1 . 1 202 202 VAL CG2 C 13 23.44 0.05 . 1 . . . . A 172 VAL CG2 . 34759 1 880 . 1 . 1 202 202 VAL N N 15 117.82 0.05 . 1 . . . . A 172 VAL N . 34759 1 881 . 1 . 1 203 203 ARG H H 1 9.13 0.05 . 1 . . . . A 173 ARG H . 34759 1 882 . 1 . 1 203 203 ARG C C 13 175.70 0.05 . 1 . . . . A 173 ARG C . 34759 1 883 . 1 . 1 203 203 ARG CA C 13 54.17 0.05 . 1 . . . . A 173 ARG CA . 34759 1 884 . 1 . 1 203 203 ARG CB C 13 34.56 0.05 . 1 . . . . A 173 ARG CB . 34759 1 885 . 1 . 1 203 203 ARG N N 15 124.02 0.05 . 1 . . . . A 173 ARG N . 34759 1 886 . 1 . 1 204 204 THR H H 1 9.12 0.05 . 1 . . . . A 174 THR H . 34759 1 887 . 1 . 1 204 204 THR HG21 H 1 1.20 0.05 . 1 . . . . A 174 THR HG21 . 34759 1 888 . 1 . 1 204 204 THR HG22 H 1 1.20 0.05 . 1 . . . . A 174 THR HG22 . 34759 1 889 . 1 . 1 204 204 THR HG23 H 1 1.20 0.05 . 1 . . . . A 174 THR HG23 . 34759 1 890 . 1 . 1 204 204 THR C C 13 174.63 0.05 . 1 . . . . A 174 THR C . 34759 1 891 . 1 . 1 204 204 THR CA C 13 64.03 0.05 . 1 . . . . A 174 THR CA . 34759 1 892 . 1 . 1 204 204 THR CB C 13 69.13 0.05 . 1 . . . . A 174 THR CB . 34759 1 893 . 1 . 1 204 204 THR CG2 C 13 22.58 0.05 . 1 . . . . A 174 THR CG2 . 34759 1 894 . 1 . 1 204 204 THR N N 15 118.30 0.05 . 1 . . . . A 174 THR N . 34759 1 895 . 1 . 1 205 205 ASP H H 1 8.67 0.05 . 1 . . . . A 175 ASP H . 34759 1 896 . 1 . 1 205 205 ASP C C 13 176.48 0.05 . 1 . . . . A 175 ASP C . 34759 1 897 . 1 . 1 205 205 ASP CA C 13 54.78 0.05 . 1 . . . . A 175 ASP CA . 34759 1 898 . 1 . 1 205 205 ASP CB C 13 43.97 0.05 . 1 . . . . A 175 ASP CB . 34759 1 899 . 1 . 1 205 205 ASP N N 15 126.32 0.05 . 1 . . . . A 175 ASP N . 34759 1 900 . 1 . 1 206 206 THR H H 1 8.06 0.05 . 1 . . . . A 176 THR H . 34759 1 901 . 1 . 1 206 206 THR HG21 H 1 1.17 0.05 . 1 . . . . A 176 THR HG21 . 34759 1 902 . 1 . 1 206 206 THR HG22 H 1 1.17 0.05 . 1 . . . . A 176 THR HG22 . 34759 1 903 . 1 . 1 206 206 THR HG23 H 1 1.17 0.05 . 1 . . . . A 176 THR HG23 . 34759 1 904 . 1 . 1 206 206 THR C C 13 175.30 0.05 . 1 . . . . A 176 THR C . 34759 1 905 . 1 . 1 206 206 THR CA C 13 60.96 0.05 . 1 . . . . A 176 THR CA . 34759 1 906 . 1 . 1 206 206 THR CB C 13 69.05 0.05 . 1 . . . . A 176 THR CB . 34759 1 907 . 1 . 1 206 206 THR CG2 C 13 21.52 0.05 . 1 . . . . A 176 THR CG2 . 34759 1 908 . 1 . 1 206 206 THR N N 15 115.67 0.05 . 1 . . . . A 176 THR N . 34759 1 909 . 1 . 1 207 207 GLY H H 1 7.82 0.05 . 1 . . . . A 177 GLY H . 34759 1 910 . 1 . 1 207 207 GLY C C 13 173.19 0.05 . 1 . . . . A 177 GLY C . 34759 1 911 . 1 . 1 207 207 GLY CA C 13 44.49 0.05 . 1 . . . . A 177 GLY CA . 34759 1 912 . 1 . 1 207 207 GLY N N 15 109.97 0.05 . 1 . . . . A 177 GLY N . 34759 1 913 . 1 . 1 208 208 GLU H H 1 8.29 0.05 . 1 . . . . A 178 GLU H . 34759 1 914 . 1 . 1 208 208 GLU N N 15 120.81 0.05 . 1 . . . . A 178 GLU N . 34759 1 915 . 1 . 1 209 209 PRO C C 13 178.17 0.05 . 1 . . . . A 179 PRO C . 34759 1 916 . 1 . 1 209 209 PRO CA C 13 63.49 0.05 . 1 . . . . A 179 PRO CA . 34759 1 917 . 1 . 1 209 209 PRO CB C 13 32.51 0.05 . 1 . . . . A 179 PRO CB . 34759 1 918 . 1 . 1 210 210 MET H H 1 9.47 0.05 . 1 . . . . A 180 MET H . 34759 1 919 . 1 . 1 210 210 MET HE1 H 1 1.82 0.05 . 1 . . . . A 180 MET HE1 . 34759 1 920 . 1 . 1 210 210 MET HE2 H 1 1.82 0.05 . 1 . . . . A 180 MET HE2 . 34759 1 921 . 1 . 1 210 210 MET HE3 H 1 1.82 0.05 . 1 . . . . A 180 MET HE3 . 34759 1 922 . 1 . 1 210 210 MET C C 13 176.96 0.05 . 1 . . . . A 180 MET C . 34759 1 923 . 1 . 1 210 210 MET CA C 13 55.17 0.05 . 1 . . . . A 180 MET CA . 34759 1 924 . 1 . 1 210 210 MET CB C 13 35.11 0.05 . 1 . . . . A 180 MET CB . 34759 1 925 . 1 . 1 210 210 MET CE C 13 16.73 0.05 . 1 . . . . A 180 MET CE . 34759 1 926 . 1 . 1 210 210 MET N N 15 123.81 0.05 . 1 . . . . A 180 MET N . 34759 1 927 . 1 . 1 211 211 GLY H H 1 8.63 0.05 . 1 . . . . A 181 GLY H . 34759 1 928 . 1 . 1 211 211 GLY C C 13 174.15 0.05 . 1 . . . . A 181 GLY C . 34759 1 929 . 1 . 1 211 211 GLY CA C 13 47.40 0.05 . 1 . . . . A 181 GLY CA . 34759 1 930 . 1 . 1 211 211 GLY N N 15 111.29 0.05 . 1 . . . . A 181 GLY N . 34759 1 931 . 1 . 1 212 212 ARG H H 1 7.48 0.05 . 1 . . . . A 182 ARG H . 34759 1 932 . 1 . 1 212 212 ARG C C 13 174.85 0.05 . 1 . . . . A 182 ARG C . 34759 1 933 . 1 . 1 212 212 ARG CA C 13 57.28 0.05 . 1 . . . . A 182 ARG CA . 34759 1 934 . 1 . 1 212 212 ARG CB C 13 30.72 0.05 . 1 . . . . A 182 ARG CB . 34759 1 935 . 1 . 1 212 212 ARG N N 15 119.96 0.05 . 1 . . . . A 182 ARG N . 34759 1 936 . 1 . 1 213 213 GLY H H 1 9.20 0.05 . 1 . . . . A 183 GLY H . 34759 1 937 . 1 . 1 213 213 GLY C C 13 172.65 0.05 . 1 . . . . A 183 GLY C . 34759 1 938 . 1 . 1 213 213 GLY CA C 13 44.38 0.05 . 1 . . . . A 183 GLY CA . 34759 1 939 . 1 . 1 213 213 GLY N N 15 115.32 0.05 . 1 . . . . A 183 GLY N . 34759 1 940 . 1 . 1 214 214 THR H H 1 7.76 0.05 . 1 . . . . A 184 THR H . 34759 1 941 . 1 . 1 214 214 THR HG21 H 1 1.04 0.05 . 1 . . . . A 184 THR HG21 . 34759 1 942 . 1 . 1 214 214 THR HG22 H 1 1.04 0.05 . 1 . . . . A 184 THR HG22 . 34759 1 943 . 1 . 1 214 214 THR HG23 H 1 1.04 0.05 . 1 . . . . A 184 THR HG23 . 34759 1 944 . 1 . 1 214 214 THR C C 13 171.24 0.05 . 1 . . . . A 184 THR C . 34759 1 945 . 1 . 1 214 214 THR CA C 13 62.41 0.05 . 1 . . . . A 184 THR CA . 34759 1 946 . 1 . 1 214 214 THR CB C 13 72.83 0.05 . 1 . . . . A 184 THR CB . 34759 1 947 . 1 . 1 214 214 THR CG2 C 13 23.13 0.05 . 1 . . . . A 184 THR CG2 . 34759 1 948 . 1 . 1 214 214 THR N N 15 115.80 0.05 . 1 . . . . A 184 THR N . 34759 1 949 . 1 . 1 215 215 LYS H H 1 10.06 0.05 . 1 . . . . A 185 LYS H . 34759 1 950 . 1 . 1 215 215 LYS C C 13 173.72 0.05 . 1 . . . . A 185 LYS C . 34759 1 951 . 1 . 1 215 215 LYS CA C 13 54.56 0.05 . 1 . . . . A 185 LYS CA . 34759 1 952 . 1 . 1 215 215 LYS CB C 13 35.74 0.05 . 1 . . . . A 185 LYS CB . 34759 1 953 . 1 . 1 215 215 LYS N N 15 128.13 0.05 . 1 . . . . A 185 LYS N . 34759 1 954 . 1 . 1 216 216 VAL H H 1 9.21 0.05 . 1 . . . . A 186 VAL H . 34759 1 955 . 1 . 1 216 216 VAL HG21 H 1 1.09 0.05 . 1 . . . . A 186 VAL HG21 . 34759 1 956 . 1 . 1 216 216 VAL HG22 H 1 1.09 0.05 . 1 . . . . A 186 VAL HG22 . 34759 1 957 . 1 . 1 216 216 VAL HG23 H 1 1.09 0.05 . 1 . . . . A 186 VAL HG23 . 34759 1 958 . 1 . 1 216 216 VAL C C 13 174.62 0.05 . 1 . . . . A 186 VAL C . 34759 1 959 . 1 . 1 216 216 VAL CA C 13 62.29 0.05 . 1 . . . . A 186 VAL CA . 34759 1 960 . 1 . 1 216 216 VAL CB C 13 33.34 0.05 . 1 . . . . A 186 VAL CB . 34759 1 961 . 1 . 1 216 216 VAL CG2 C 13 21.28 0.05 . 1 . . . . A 186 VAL CG2 . 34759 1 962 . 1 . 1 216 216 VAL N N 15 126.32 0.05 . 1 . . . . A 186 VAL N . 34759 1 963 . 1 . 1 217 217 ILE H H 1 10.01 0.05 . 1 . . . . A 187 ILE H . 34759 1 964 . 1 . 1 217 217 ILE HD11 H 1 0.88 0.05 . 1 . . . . A 187 ILE HD11 . 34759 1 965 . 1 . 1 217 217 ILE HD12 H 1 0.88 0.05 . 1 . . . . A 187 ILE HD12 . 34759 1 966 . 1 . 1 217 217 ILE HD13 H 1 0.88 0.05 . 1 . . . . A 187 ILE HD13 . 34759 1 967 . 1 . 1 217 217 ILE C C 13 175.23 0.05 . 1 . . . . A 187 ILE C . 34759 1 968 . 1 . 1 217 217 ILE CA C 13 61.81 0.05 . 1 . . . . A 187 ILE CA . 34759 1 969 . 1 . 1 217 217 ILE CB C 13 39.71 0.05 . 1 . . . . A 187 ILE CB . 34759 1 970 . 1 . 1 217 217 ILE CD1 C 13 14.62 0.05 . 1 . . . . A 187 ILE CD1 . 34759 1 971 . 1 . 1 217 217 ILE N N 15 127.62 0.05 . 1 . . . . A 187 ILE N . 34759 1 972 . 1 . 1 218 218 LEU H H 1 8.91 0.05 . 1 . . . . A 188 LEU H . 34759 1 973 . 1 . 1 218 218 LEU HD21 H 1 0.57 0.05 . 1 . . . . A 188 LEU HD21 . 34759 1 974 . 1 . 1 218 218 LEU HD22 H 1 0.57 0.05 . 1 . . . . A 188 LEU HD22 . 34759 1 975 . 1 . 1 218 218 LEU HD23 H 1 0.57 0.05 . 1 . . . . A 188 LEU HD23 . 34759 1 976 . 1 . 1 218 218 LEU C C 13 175.59 0.05 . 1 . . . . A 188 LEU C . 34759 1 977 . 1 . 1 218 218 LEU CA C 13 54.03 0.05 . 1 . . . . A 188 LEU CA . 34759 1 978 . 1 . 1 218 218 LEU CB C 13 42.34 0.05 . 1 . . . . A 188 LEU CB . 34759 1 979 . 1 . 1 218 218 LEU CD2 C 13 27.06 0.05 . 1 . . . . A 188 LEU CD2 . 34759 1 980 . 1 . 1 218 218 LEU N N 15 125.64 0.05 . 1 . . . . A 188 LEU N . 34759 1 981 . 1 . 1 219 219 HIS H H 1 8.36 0.05 . 1 . . . . A 189 HIS H . 34759 1 982 . 1 . 1 219 219 HIS C C 13 175.55 0.05 . 1 . . . . A 189 HIS C . 34759 1 983 . 1 . 1 219 219 HIS CA C 13 55.46 0.05 . 1 . . . . A 189 HIS CA . 34759 1 984 . 1 . 1 219 219 HIS CB C 13 28.01 0.05 . 1 . . . . A 189 HIS CB . 34759 1 985 . 1 . 1 219 219 HIS N N 15 124.51 0.05 . 1 . . . . A 189 HIS N . 34759 1 986 . 1 . 1 220 220 LEU H H 1 8.07 0.05 . 1 . . . . A 190 LEU H . 34759 1 987 . 1 . 1 220 220 LEU HD21 H 1 0.60 0.05 . 1 . . . . A 190 LEU HD21 . 34759 1 988 . 1 . 1 220 220 LEU HD22 H 1 0.60 0.05 . 1 . . . . A 190 LEU HD22 . 34759 1 989 . 1 . 1 220 220 LEU HD23 H 1 0.60 0.05 . 1 . . . . A 190 LEU HD23 . 34759 1 990 . 1 . 1 220 220 LEU C C 13 178.08 0.05 . 1 . . . . A 190 LEU C . 34759 1 991 . 1 . 1 220 220 LEU CA C 13 56.06 0.05 . 1 . . . . A 190 LEU CA . 34759 1 992 . 1 . 1 220 220 LEU CB C 13 42.11 0.05 . 1 . . . . A 190 LEU CB . 34759 1 993 . 1 . 1 220 220 LEU CD2 C 13 23.15 0.05 . 1 . . . . A 190 LEU CD2 . 34759 1 994 . 1 . 1 220 220 LEU N N 15 123.47 0.05 . 1 . . . . A 190 LEU N . 34759 1 995 . 1 . 1 221 221 LYS H H 1 8.48 0.05 . 1 . . . . A 191 LYS H . 34759 1 996 . 1 . 1 221 221 LYS C C 13 178.53 0.05 . 1 . . . . A 191 LYS C . 34759 1 997 . 1 . 1 221 221 LYS CA C 13 57.19 0.05 . 1 . . . . A 191 LYS CA . 34759 1 998 . 1 . 1 221 221 LYS CB C 13 34.30 0.05 . 1 . . . . A 191 LYS CB . 34759 1 999 . 1 . 1 221 221 LYS N N 15 120.29 0.05 . 1 . . . . A 191 LYS N . 34759 1 1000 . 1 . 1 222 222 GLU H H 1 9.03 0.05 . 1 . . . . A 192 GLU H . 34759 1 1001 . 1 . 1 222 222 GLU C C 13 176.54 0.05 . 1 . . . . A 192 GLU C . 34759 1 1002 . 1 . 1 222 222 GLU CA C 13 59.91 0.05 . 1 . . . . A 192 GLU CA . 34759 1 1003 . 1 . 1 222 222 GLU CB C 13 29.89 0.05 . 1 . . . . A 192 GLU CB . 34759 1 1004 . 1 . 1 222 222 GLU N N 15 120.45 0.05 . 1 . . . . A 192 GLU N . 34759 1 1005 . 1 . 1 223 223 ASP H H 1 8.40 0.05 . 1 . . . . A 193 ASP H . 34759 1 1006 . 1 . 1 223 223 ASP C C 13 177.61 0.05 . 1 . . . . A 193 ASP C . 34759 1 1007 . 1 . 1 223 223 ASP CA C 13 53.49 0.05 . 1 . . . . A 193 ASP CA . 34759 1 1008 . 1 . 1 223 223 ASP CB C 13 39.66 0.05 . 1 . . . . A 193 ASP CB . 34759 1 1009 . 1 . 1 223 223 ASP N N 15 113.06 0.05 . 1 . . . . A 193 ASP N . 34759 1 1010 . 1 . 1 224 224 GLN H H 1 7.89 0.05 . 1 . . . . A 194 GLN H . 34759 1 1011 . 1 . 1 224 224 GLN C C 13 176.23 0.05 . 1 . . . . A 194 GLN C . 34759 1 1012 . 1 . 1 224 224 GLN CA C 13 54.18 0.05 . 1 . . . . A 194 GLN CA . 34759 1 1013 . 1 . 1 224 224 GLN CB C 13 27.92 0.05 . 1 . . . . A 194 GLN CB . 34759 1 1014 . 1 . 1 224 224 GLN N N 15 118.41 0.05 . 1 . . . . A 194 GLN N . 34759 1 1015 . 1 . 1 225 225 THR H H 1 7.44 0.05 . 1 . . . . A 195 THR H . 34759 1 1016 . 1 . 1 225 225 THR HG21 H 1 1.33 0.05 . 1 . . . . A 195 THR HG21 . 34759 1 1017 . 1 . 1 225 225 THR HG22 H 1 1.33 0.05 . 1 . . . . A 195 THR HG22 . 34759 1 1018 . 1 . 1 225 225 THR HG23 H 1 1.33 0.05 . 1 . . . . A 195 THR HG23 . 34759 1 1019 . 1 . 1 225 225 THR C C 13 177.55 0.05 . 1 . . . . A 195 THR C . 34759 1 1020 . 1 . 1 225 225 THR CA C 13 64.61 0.05 . 1 . . . . A 195 THR CA . 34759 1 1021 . 1 . 1 225 225 THR CB C 13 68.63 0.05 . 1 . . . . A 195 THR CB . 34759 1 1022 . 1 . 1 225 225 THR CG2 C 13 22.23 0.05 . 1 . . . . A 195 THR CG2 . 34759 1 1023 . 1 . 1 225 225 THR N N 15 106.36 0.05 . 1 . . . . A 195 THR N . 34759 1 1024 . 1 . 1 226 226 GLU H H 1 8.89 0.05 . 1 . . . . A 196 GLU H . 34759 1 1025 . 1 . 1 226 226 GLU C C 13 176.79 0.05 . 1 . . . . A 196 GLU C . 34759 1 1026 . 1 . 1 226 226 GLU CA C 13 58.90 0.05 . 1 . . . . A 196 GLU CA . 34759 1 1027 . 1 . 1 226 226 GLU CB C 13 28.81 0.05 . 1 . . . . A 196 GLU CB . 34759 1 1028 . 1 . 1 226 226 GLU N N 15 123.81 0.05 . 1 . . . . A 196 GLU N . 34759 1 1029 . 1 . 1 227 227 TYR H H 1 6.67 0.05 . 1 . . . . A 197 TYR H . 34759 1 1030 . 1 . 1 227 227 TYR C C 13 171.82 0.05 . 1 . . . . A 197 TYR C . 34759 1 1031 . 1 . 1 227 227 TYR CA C 13 59.91 0.05 . 1 . . . . A 197 TYR CA . 34759 1 1032 . 1 . 1 227 227 TYR CB C 13 37.16 0.05 . 1 . . . . A 197 TYR CB . 34759 1 1033 . 1 . 1 227 227 TYR N N 15 114.48 0.05 . 1 . . . . A 197 TYR N . 34759 1 1034 . 1 . 1 228 228 LEU H H 1 7.32 0.05 . 1 . . . . A 198 LEU H . 34759 1 1035 . 1 . 1 228 228 LEU HD21 H 1 0.70 0.05 . 1 . . . . A 198 LEU HD21 . 34759 1 1036 . 1 . 1 228 228 LEU HD22 H 1 0.70 0.05 . 1 . . . . A 198 LEU HD22 . 34759 1 1037 . 1 . 1 228 228 LEU HD23 H 1 0.70 0.05 . 1 . . . . A 198 LEU HD23 . 34759 1 1038 . 1 . 1 228 228 LEU C C 13 176.71 0.05 . 1 . . . . A 198 LEU C . 34759 1 1039 . 1 . 1 228 228 LEU CA C 13 53.43 0.05 . 1 . . . . A 198 LEU CA . 34759 1 1040 . 1 . 1 228 228 LEU CB C 13 42.51 0.05 . 1 . . . . A 198 LEU CB . 34759 1 1041 . 1 . 1 228 228 LEU CD2 C 13 25.14 0.05 . 1 . . . . A 198 LEU CD2 . 34759 1 1042 . 1 . 1 228 228 LEU N N 15 110.87 0.05 . 1 . . . . A 198 LEU N . 34759 1 1043 . 1 . 1 229 229 GLU H H 1 7.33 0.05 . 1 . . . . A 199 GLU H . 34759 1 1044 . 1 . 1 229 229 GLU C C 13 177.28 0.05 . 1 . . . . A 199 GLU C . 34759 1 1045 . 1 . 1 229 229 GLU CA C 13 55.18 0.05 . 1 . . . . A 199 GLU CA . 34759 1 1046 . 1 . 1 229 229 GLU CB C 13 30.05 0.05 . 1 . . . . A 199 GLU CB . 34759 1 1047 . 1 . 1 229 229 GLU N N 15 116.42 0.05 . 1 . . . . A 199 GLU N . 34759 1 1048 . 1 . 1 230 230 GLU H H 1 9.15 0.05 . 1 . . . . A 200 GLU H . 34759 1 1049 . 1 . 1 230 230 GLU C C 13 177.74 0.05 . 1 . . . . A 200 GLU C . 34759 1 1050 . 1 . 1 230 230 GLU CA C 13 60.65 0.05 . 1 . . . . A 200 GLU CA . 34759 1 1051 . 1 . 1 230 230 GLU CB C 13 29.84 0.05 . 1 . . . . A 200 GLU CB . 34759 1 1052 . 1 . 1 230 230 GLU N N 15 126.40 0.05 . 1 . . . . A 200 GLU N . 34759 1 1053 . 1 . 1 231 231 ARG H H 1 8.92 0.05 . 1 . . . . A 201 ARG H . 34759 1 1054 . 1 . 1 231 231 ARG C C 13 178.59 0.05 . 1 . . . . A 201 ARG C . 34759 1 1055 . 1 . 1 231 231 ARG CA C 13 59.74 0.05 . 1 . . . . A 201 ARG CA . 34759 1 1056 . 1 . 1 231 231 ARG CB C 13 29.91 0.05 . 1 . . . . A 201 ARG CB . 34759 1 1057 . 1 . 1 231 231 ARG N N 15 116.06 0.05 . 1 . . . . A 201 ARG N . 34759 1 1058 . 1 . 1 232 232 ARG H H 1 6.78 0.05 . 1 . . . . A 202 ARG H . 34759 1 1059 . 1 . 1 232 232 ARG C C 13 178.33 0.05 . 1 . . . . A 202 ARG C . 34759 1 1060 . 1 . 1 232 232 ARG CA C 13 57.33 0.05 . 1 . . . . A 202 ARG CA . 34759 1 1061 . 1 . 1 232 232 ARG CB C 13 30.73 0.05 . 1 . . . . A 202 ARG CB . 34759 1 1062 . 1 . 1 232 232 ARG N N 15 119.24 0.05 . 1 . . . . A 202 ARG N . 34759 1 1063 . 1 . 1 233 233 ILE H H 1 8.13 0.05 . 1 . . . . A 203 ILE H . 34759 1 1064 . 1 . 1 233 233 ILE HD11 H 1 0.86 0.05 . 1 . . . . A 203 ILE HD11 . 34759 1 1065 . 1 . 1 233 233 ILE HD12 H 1 0.86 0.05 . 1 . . . . A 203 ILE HD12 . 34759 1 1066 . 1 . 1 233 233 ILE HD13 H 1 0.86 0.05 . 1 . . . . A 203 ILE HD13 . 34759 1 1067 . 1 . 1 233 233 ILE C C 13 178.24 0.05 . 1 . . . . A 203 ILE C . 34759 1 1068 . 1 . 1 233 233 ILE CA C 13 66.02 0.05 . 1 . . . . A 203 ILE CA . 34759 1 1069 . 1 . 1 233 233 ILE CB C 13 38.30 0.05 . 1 . . . . A 203 ILE CB . 34759 1 1070 . 1 . 1 233 233 ILE CD1 C 13 14.79 0.05 . 1 . . . . A 203 ILE CD1 . 34759 1 1071 . 1 . 1 233 233 ILE N N 15 117.49 0.05 . 1 . . . . A 203 ILE N . 34759 1 1072 . 1 . 1 234 234 LYS H H 1 8.45 0.05 . 1 . . . . A 204 LYS H . 34759 1 1073 . 1 . 1 234 234 LYS C C 13 179.62 0.05 . 1 . . . . A 204 LYS C . 34759 1 1074 . 1 . 1 234 234 LYS CA C 13 60.72 0.05 . 1 . . . . A 204 LYS CA . 34759 1 1075 . 1 . 1 234 234 LYS CB C 13 32.57 0.05 . 1 . . . . A 204 LYS CB . 34759 1 1076 . 1 . 1 234 234 LYS N N 15 116.57 0.05 . 1 . . . . A 204 LYS N . 34759 1 1077 . 1 . 1 235 235 GLU H H 1 7.73 0.05 . 1 . . . . A 205 GLU H . 34759 1 1078 . 1 . 1 235 235 GLU C C 13 179.19 0.05 . 1 . . . . A 205 GLU C . 34759 1 1079 . 1 . 1 235 235 GLU CA C 13 59.32 0.05 . 1 . . . . A 205 GLU CA . 34759 1 1080 . 1 . 1 235 235 GLU CB C 13 29.50 0.05 . 1 . . . . A 205 GLU CB . 34759 1 1081 . 1 . 1 235 235 GLU N N 15 118.42 0.05 . 1 . . . . A 205 GLU N . 34759 1 1082 . 1 . 1 236 236 ILE H H 1 7.90 0.05 . 1 . . . . A 206 ILE H . 34759 1 1083 . 1 . 1 236 236 ILE HD11 H 1 1.07 0.05 . 1 . . . . A 206 ILE HD11 . 34759 1 1084 . 1 . 1 236 236 ILE HD12 H 1 1.07 0.05 . 1 . . . . A 206 ILE HD12 . 34759 1 1085 . 1 . 1 236 236 ILE HD13 H 1 1.07 0.05 . 1 . . . . A 206 ILE HD13 . 34759 1 1086 . 1 . 1 236 236 ILE C C 13 178.77 0.05 . 1 . . . . A 206 ILE C . 34759 1 1087 . 1 . 1 236 236 ILE CA C 13 65.84 0.05 . 1 . . . . A 206 ILE CA . 34759 1 1088 . 1 . 1 236 236 ILE CB C 13 38.74 0.05 . 1 . . . . A 206 ILE CB . 34759 1 1089 . 1 . 1 236 236 ILE CD1 C 13 15.86 0.05 . 1 . . . . A 206 ILE CD1 . 34759 1 1090 . 1 . 1 236 236 ILE N N 15 120.80 0.05 . 1 . . . . A 206 ILE N . 34759 1 1091 . 1 . 1 237 237 VAL H H 1 8.41 0.05 . 1 . . . . A 207 VAL H . 34759 1 1092 . 1 . 1 237 237 VAL HG21 H 1 0.90 0.05 . 1 . . . . A 207 VAL HG21 . 34759 1 1093 . 1 . 1 237 237 VAL HG22 H 1 0.90 0.05 . 1 . . . . A 207 VAL HG22 . 34759 1 1094 . 1 . 1 237 237 VAL HG23 H 1 0.90 0.05 . 1 . . . . A 207 VAL HG23 . 34759 1 1095 . 1 . 1 237 237 VAL C C 13 178.64 0.05 . 1 . . . . A 207 VAL C . 34759 1 1096 . 1 . 1 237 237 VAL CA C 13 67.19 0.05 . 1 . . . . A 207 VAL CA . 34759 1 1097 . 1 . 1 237 237 VAL CB C 13 32.05 0.05 . 1 . . . . A 207 VAL CB . 34759 1 1098 . 1 . 1 237 237 VAL CG2 C 13 23.59 0.05 . 1 . . . . A 207 VAL CG2 . 34759 1 1099 . 1 . 1 237 237 VAL N N 15 120.38 0.05 . 1 . . . . A 207 VAL N . 34759 1 1100 . 1 . 1 238 238 LYS H H 1 7.94 0.05 . 1 . . . . A 208 LYS H . 34759 1 1101 . 1 . 1 238 238 LYS C C 13 178.19 0.05 . 1 . . . . A 208 LYS C . 34759 1 1102 . 1 . 1 238 238 LYS CA C 13 59.07 0.05 . 1 . . . . A 208 LYS CA . 34759 1 1103 . 1 . 1 238 238 LYS CB C 13 32.42 0.05 . 1 . . . . A 208 LYS CB . 34759 1 1104 . 1 . 1 238 238 LYS N N 15 118.65 0.05 . 1 . . . . A 208 LYS N . 34759 1 1105 . 1 . 1 239 239 LYS H H 1 7.52 0.05 . 1 . . . . A 209 LYS H . 34759 1 1106 . 1 . 1 239 239 LYS C C 13 178.60 0.05 . 1 . . . . A 209 LYS C . 34759 1 1107 . 1 . 1 239 239 LYS CA C 13 58.95 0.05 . 1 . . . . A 209 LYS CA . 34759 1 1108 . 1 . 1 239 239 LYS CB C 13 33.63 0.05 . 1 . . . . A 209 LYS CB . 34759 1 1109 . 1 . 1 239 239 LYS N N 15 116.22 0.05 . 1 . . . . A 209 LYS N . 34759 1 1110 . 1 . 1 240 240 HIS H H 1 7.83 0.05 . 1 . . . . A 210 HIS H . 34759 1 1111 . 1 . 1 240 240 HIS C C 13 177.69 0.05 . 1 . . . . A 210 HIS C . 34759 1 1112 . 1 . 1 240 240 HIS CA C 13 57.44 0.05 . 1 . . . . A 210 HIS CA . 34759 1 1113 . 1 . 1 240 240 HIS CB C 13 33.64 0.05 . 1 . . . . A 210 HIS CB . 34759 1 1114 . 1 . 1 240 240 HIS N N 15 113.17 0.05 . 1 . . . . A 210 HIS N . 34759 1 1115 . 1 . 1 241 241 SER H H 1 8.19 0.05 . 1 . . . . A 211 SER H . 34759 1 1116 . 1 . 1 241 241 SER C C 13 175.75 0.05 . 1 . . . . A 211 SER C . 34759 1 1117 . 1 . 1 241 241 SER CA C 13 59.17 0.05 . 1 . . . . A 211 SER CA . 34759 1 1118 . 1 . 1 241 241 SER CB C 13 63.57 0.05 . 1 . . . . A 211 SER CB . 34759 1 1119 . 1 . 1 241 241 SER N N 15 115.23 0.05 . 1 . . . . A 211 SER N . 34759 1 1120 . 1 . 1 242 242 GLN C C 13 176.67 0.05 . 1 . . . . A 212 GLN C . 34759 1 1121 . 1 . 1 242 242 GLN CA C 13 58.09 0.05 . 1 . . . . A 212 GLN CA . 34759 1 1122 . 1 . 1 242 242 GLN CB C 13 28.42 0.05 . 1 . . . . A 212 GLN CB . 34759 1 1123 . 1 . 1 243 243 PHE H H 1 8.12 0.05 . 1 . . . . A 213 PHE H . 34759 1 1124 . 1 . 1 243 243 PHE C C 13 175.75 0.05 . 1 . . . . A 213 PHE C . 34759 1 1125 . 1 . 1 243 243 PHE CA C 13 57.05 0.05 . 1 . . . . A 213 PHE CA . 34759 1 1126 . 1 . 1 243 243 PHE CB C 13 38.04 0.05 . 1 . . . . A 213 PHE CB . 34759 1 1127 . 1 . 1 243 243 PHE N N 15 115.36 0.05 . 1 . . . . A 213 PHE N . 34759 1 1128 . 1 . 1 244 244 ILE H H 1 7.16 0.05 . 1 . . . . A 214 ILE H . 34759 1 1129 . 1 . 1 244 244 ILE HD11 H 1 0.85 0.05 . 1 . . . . A 214 ILE HD11 . 34759 1 1130 . 1 . 1 244 244 ILE HD12 H 1 0.85 0.05 . 1 . . . . A 214 ILE HD12 . 34759 1 1131 . 1 . 1 244 244 ILE HD13 H 1 0.85 0.05 . 1 . . . . A 214 ILE HD13 . 34759 1 1132 . 1 . 1 244 244 ILE C C 13 177.30 0.05 . 1 . . . . A 214 ILE C . 34759 1 1133 . 1 . 1 244 244 ILE CA C 13 59.64 0.05 . 1 . . . . A 214 ILE CA . 34759 1 1134 . 1 . 1 244 244 ILE CB C 13 36.89 0.05 . 1 . . . . A 214 ILE CB . 34759 1 1135 . 1 . 1 244 244 ILE CD1 C 13 10.35 0.05 . 1 . . . . A 214 ILE CD1 . 34759 1 1136 . 1 . 1 244 244 ILE N N 15 121.40 0.05 . 1 . . . . A 214 ILE N . 34759 1 1137 . 1 . 1 245 245 GLY H H 1 9.19 0.05 . 1 . . . . A 215 GLY H . 34759 1 1138 . 1 . 1 245 245 GLY C C 13 173.18 0.05 . 1 . . . . A 215 GLY C . 34759 1 1139 . 1 . 1 245 245 GLY CA C 13 46.19 0.05 . 1 . . . . A 215 GLY CA . 34759 1 1140 . 1 . 1 245 245 GLY N N 15 115.11 0.05 . 1 . . . . A 215 GLY N . 34759 1 1141 . 1 . 1 246 246 TYR H H 1 6.77 0.05 . 1 . . . . A 216 TYR H . 34759 1 1142 . 1 . 1 246 246 TYR C C 13 172.28 0.05 . 1 . . . . A 216 TYR C . 34759 1 1143 . 1 . 1 246 246 TYR CA C 13 56.02 0.05 . 1 . . . . A 216 TYR CA . 34759 1 1144 . 1 . 1 246 246 TYR CB C 13 40.76 0.05 . 1 . . . . A 216 TYR CB . 34759 1 1145 . 1 . 1 246 246 TYR N N 15 117.52 0.05 . 1 . . . . A 216 TYR N . 34759 1 1146 . 1 . 1 247 247 PRO CA C 13 63.69 0.05 . 1 . . . . A 217 PRO CA . 34759 1 1147 . 1 . 1 247 247 PRO CB C 13 32.41 0.05 . 1 . . . . A 217 PRO CB . 34759 1 1148 . 1 . 1 248 248 ILE H H 1 8.08 0.05 . 1 . . . . A 218 ILE H . 34759 1 1149 . 1 . 1 248 248 ILE HD11 H 1 0.91 0.05 . 1 . . . . A 218 ILE HD11 . 34759 1 1150 . 1 . 1 248 248 ILE HD12 H 1 0.91 0.05 . 1 . . . . A 218 ILE HD12 . 34759 1 1151 . 1 . 1 248 248 ILE HD13 H 1 0.91 0.05 . 1 . . . . A 218 ILE HD13 . 34759 1 1152 . 1 . 1 248 248 ILE C C 13 176.56 0.05 . 1 . . . . A 218 ILE C . 34759 1 1153 . 1 . 1 248 248 ILE CA C 13 60.44 0.05 . 1 . . . . A 218 ILE CA . 34759 1 1154 . 1 . 1 248 248 ILE CB C 13 40.28 0.05 . 1 . . . . A 218 ILE CB . 34759 1 1155 . 1 . 1 248 248 ILE CD1 C 13 15.00 0.05 . 1 . . . . A 218 ILE CD1 . 34759 1 1156 . 1 . 1 248 248 ILE N N 15 123.24 0.05 . 1 . . . . A 218 ILE N . 34759 1 1157 . 1 . 1 249 249 THR H H 1 8.75 0.05 . 1 . . . . A 219 THR H . 34759 1 1158 . 1 . 1 249 249 THR HG21 H 1 0.97 0.05 . 1 . . . . A 219 THR HG21 . 34759 1 1159 . 1 . 1 249 249 THR HG22 H 1 0.97 0.05 . 1 . . . . A 219 THR HG22 . 34759 1 1160 . 1 . 1 249 249 THR HG23 H 1 0.97 0.05 . 1 . . . . A 219 THR HG23 . 34759 1 1161 . 1 . 1 249 249 THR C C 13 172.70 0.05 . 1 . . . . A 219 THR C . 34759 1 1162 . 1 . 1 249 249 THR CA C 13 61.32 0.05 . 1 . . . . A 219 THR CA . 34759 1 1163 . 1 . 1 249 249 THR CB C 13 70.80 0.05 . 1 . . . . A 219 THR CB . 34759 1 1164 . 1 . 1 249 249 THR CG2 C 13 21.96 0.05 . 1 . . . . A 219 THR CG2 . 34759 1 1165 . 1 . 1 249 249 THR N N 15 122.49 0.05 . 1 . . . . A 219 THR N . 34759 1 1166 . 1 . 1 250 250 LEU H H 1 8.72 0.05 . 1 . . . . A 220 LEU H . 34759 1 1167 . 1 . 1 250 250 LEU HD21 H 1 0.90 0.05 . 1 . . . . A 220 LEU HD21 . 34759 1 1168 . 1 . 1 250 250 LEU HD22 H 1 0.90 0.05 . 1 . . . . A 220 LEU HD22 . 34759 1 1169 . 1 . 1 250 250 LEU HD23 H 1 0.90 0.05 . 1 . . . . A 220 LEU HD23 . 34759 1 1170 . 1 . 1 250 250 LEU C C 13 175.83 0.05 . 1 . . . . A 220 LEU C . 34759 1 1171 . 1 . 1 250 250 LEU CA C 13 54.03 0.05 . 1 . . . . A 220 LEU CA . 34759 1 1172 . 1 . 1 250 250 LEU CB C 13 43.90 0.05 . 1 . . . . A 220 LEU CB . 34759 1 1173 . 1 . 1 250 250 LEU CD2 C 13 27.15 0.05 . 1 . . . . A 220 LEU CD2 . 34759 1 1174 . 1 . 1 250 250 LEU N N 15 127.47 0.05 . 1 . . . . A 220 LEU N . 34759 1 1175 . 1 . 1 251 251 PHE H H 1 8.83 0.05 . 1 . . . . A 221 PHE H . 34759 1 1176 . 1 . 1 251 251 PHE C C 13 174.21 0.05 . 1 . . . . A 221 PHE C . 34759 1 1177 . 1 . 1 251 251 PHE CA C 13 57.55 0.05 . 1 . . . . A 221 PHE CA . 34759 1 1178 . 1 . 1 251 251 PHE CB C 13 39.78 0.05 . 1 . . . . A 221 PHE CB . 34759 1 1179 . 1 . 1 251 251 PHE N N 15 127.00 0.05 . 1 . . . . A 221 PHE N . 34759 1 1180 . 1 . 1 252 252 VAL H H 1 7.93 0.05 . 1 . . . . A 222 VAL H . 34759 1 1181 . 1 . 1 252 252 VAL HG21 H 1 0.88 0.05 . 1 . . . . A 222 VAL HG21 . 34759 1 1182 . 1 . 1 252 252 VAL HG22 H 1 0.88 0.05 . 1 . . . . A 222 VAL HG22 . 34759 1 1183 . 1 . 1 252 252 VAL HG23 H 1 0.88 0.05 . 1 . . . . A 222 VAL HG23 . 34759 1 1184 . 1 . 1 252 252 VAL C C 13 175.84 0.05 . 1 . . . . A 222 VAL C . 34759 1 1185 . 1 . 1 252 252 VAL CA C 13 61.33 0.05 . 1 . . . . A 222 VAL CA . 34759 1 1186 . 1 . 1 252 252 VAL CB C 13 33.94 0.05 . 1 . . . . A 222 VAL CB . 34759 1 1187 . 1 . 1 252 252 VAL CG2 C 13 20.45 0.05 . 1 . . . . A 222 VAL CG2 . 34759 1 1188 . 1 . 1 252 252 VAL N N 15 121.41 0.05 . 1 . . . . A 222 VAL N . 34759 1 1189 . 1 . 1 253 253 GLU H H 1 8.55 0.05 . 1 . . . . A 223 GLU H . 34759 1 1190 . 1 . 1 253 253 GLU C C 13 176.69 0.05 . 1 . . . . A 223 GLU C . 34759 1 1191 . 1 . 1 253 253 GLU CA C 13 56.99 0.05 . 1 . . . . A 223 GLU CA . 34759 1 1192 . 1 . 1 253 253 GLU CB C 13 30.66 0.05 . 1 . . . . A 223 GLU CB . 34759 1 1193 . 1 . 1 253 253 GLU N N 15 125.49 0.05 . 1 . . . . A 223 GLU N . 34759 1 1194 . 1 . 1 254 254 LYS H H 1 8.46 0.05 . 1 . . . . A 224 LYS H . 34759 1 1195 . 1 . 1 254 254 LYS C C 13 176.69 0.05 . 1 . . . . A 224 LYS C . 34759 1 1196 . 1 . 1 254 254 LYS CA C 13 56.19 0.05 . 1 . . . . A 224 LYS CA . 34759 1 1197 . 1 . 1 254 254 LYS CB C 13 33.41 0.05 . 1 . . . . A 224 LYS CB . 34759 1 1198 . 1 . 1 254 254 LYS N N 15 123.45 0.05 . 1 . . . . A 224 LYS N . 34759 1 1199 . 1 . 1 259 259 GLU C C 13 176.71 0.05 . 1 . . . . A 229 GLU C . 34759 1 1200 . 1 . 1 259 259 GLU CA C 13 56.86 0.05 . 1 . . . . A 229 GLU CA . 34759 1 1201 . 1 . 1 259 259 GLU CB C 13 30.36 0.05 . 1 . . . . A 229 GLU CB . 34759 1 1202 . 1 . 1 260 260 VAL HG21 H 1 0.95 0.05 . 1 . . . . A 230 VAL HG21 . 34759 1 1203 . 1 . 1 260 260 VAL HG22 H 1 0.95 0.05 . 1 . . . . A 230 VAL HG22 . 34759 1 1204 . 1 . 1 260 260 VAL HG23 H 1 0.95 0.05 . 1 . . . . A 230 VAL HG23 . 34759 1 1205 . 1 . 1 260 260 VAL C C 13 176.07 0.05 . 1 . . . . A 230 VAL C . 34759 1 1206 . 1 . 1 260 260 VAL CA C 13 62.44 0.05 . 1 . . . . A 230 VAL CA . 34759 1 1207 . 1 . 1 260 260 VAL CB C 13 33.31 0.05 . 1 . . . . A 230 VAL CB . 34759 1 1208 . 1 . 1 260 260 VAL CG2 C 13 20.65 0.05 . 1 . . . . A 230 VAL CG2 . 34759 1 1209 . 1 . 1 261 261 SER CA C 13 58.11 0.05 . 1 . . . . A 231 SER CA . 34759 1 1210 . 1 . 1 261 261 SER CB C 13 64.15 0.05 . 1 . . . . A 231 SER CB . 34759 1 1211 . 1 . 1 262 262 ASP C C 13 176.37 0.05 . 1 . . . . A 232 ASP C . 34759 1 1212 . 1 . 1 262 262 ASP CA C 13 54.83 0.05 . 1 . . . . A 232 ASP CA . 34759 1 1213 . 1 . 1 262 262 ASP CB C 13 41.31 0.05 . 1 . . . . A 232 ASP CB . 34759 1 1214 . 1 . 1 265 265 ALA HB1 H 1 1.42 0.05 . 1 . . . . A 235 ALA HB1 . 34759 1 1215 . 1 . 1 265 265 ALA HB2 H 1 1.42 0.05 . 1 . . . . A 235 ALA HB2 . 34759 1 1216 . 1 . 1 265 265 ALA HB3 H 1 1.42 0.05 . 1 . . . . A 235 ALA HB3 . 34759 1 1217 . 1 . 1 265 265 ALA CB C 13 19.65 0.05 . 1 . . . . A 235 ALA CB . 34759 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_1 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_1 _Spectral_peak_list.Entry_ID 34759 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 1 _Spectral_peak_list.Experiment_name '3D 1H-13C NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details ; Methyl-Methyl NOEs for residues from 98 to 136; CNS restrained molecular dynamics protocol using a full Lenard-Jones potential and explicit water molecules: In brief, the explicit solvent refinement consisted of the five following steps: (i) immersion in a 7.0 A shell of water molecules and energy minimization; (ii) slow heating from 100 to 500 K in 100 K temperature steps with 200 MD steps per temperature step (time/step 3 fs), with harmonic position restraints on the protein heavy atoms that were slowly phased out during the heating stage; (iii) refinement at 500 K with 2,000 MD steps (time step 4 fs); (iv) slow cooling from 500 K to 25 K in 25 K temperature steps with 200 MD steps per temperature step (time step 4 fs); (v) final energy minimization (200 steps). Brunger, A. T. et al. Crystallography and NMR System: A New Software Suite for Macromolecular Structure Determination. Acta Cryst (1998). ; _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; data_CCP_assig_NOE_CH_288K_R46A_NewCC save_nef_nmr_meta_data _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode nef_nmr_meta_data _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 _nef_nmr_meta_data.program_name AnalysisAssign _nef_nmr_meta_data.program_version 3.1.0 _nef_nmr_meta_data.creation_date 2022-07-19T17:12:40.504648 _nef_nmr_meta_data.uuid AnalysisAssign-2022-07-19T17:12:40.504648-253228484 _nef_nmr_meta_data.coordinate_file_name . loop_ _nef_program_script.program_name _nef_program_script.script_name _nef_program_script.script CcpNmr exportProject . stop_ save_ save_nef_molecular_system _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode nef_molecular_system save_ save_nef_nmr_spectrum_Expt_2-NOESY_R46A_300ms_288K`1` _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode nef_nmr_spectrum_Expt_2-NOESY_R46A_300ms_288K`1` _nef_nmr_spectrum.num_dimensions 3 _nef_nmr_spectrum.chemical_shift_list . _nef_nmr_spectrum.experiment_classification . _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.ccpn_positive_contour_count 10 _nef_nmr_spectrum.ccpn_positive_contour_base 809291.5176 _nef_nmr_spectrum.ccpn_positive_contour_factor 1.414214 _nef_nmr_spectrum.ccpn_positive_contour_colour '#8A2BE2' _nef_nmr_spectrum.ccpn_negative_contour_count 10 _nef_nmr_spectrum.ccpn_negative_contour_base -809291.5176 _nef_nmr_spectrum.ccpn_negative_contour_factor 1.414214 _nef_nmr_spectrum.ccpn_negative_contour_colour '#808000' _nef_nmr_spectrum.ccpn_slice_colour '#8A2BE2' _nef_nmr_spectrum.ccpn_spectrum_scale 1 _nef_nmr_spectrum.ccpn_spinning_rate . _nef_nmr_spectrum.ccpn_spectrum_comment '' _nef_nmr_spectrum.ccpn_spectrum_file_path C:\Users\utilisateur\Documents\These\IBS\Attribution\CCP_assig_NOE_CH_288K_R46A\spectra2\Desktop\NOESY_R46A_300ms_288K.ft3 _nef_nmr_spectrum.ccpn_file_type NMRPipe _nef_nmr_spectrum.ccpn_file_scale_factor 1 _nef_nmr_spectrum.ccpn_sample . _nef_nmr_spectrum.ccpn_peaklist_serial 1 _nef_nmr_spectrum.ccpn_peaklist_comment 'Default list' _nef_nmr_spectrum.ccpn_peaklist_name . _nef_nmr_spectrum.ccpn_peaklist_is_simulated false _nef_nmr_spectrum.ccpn_peaklist_symbol_colour '#7A7A7A' _nef_nmr_spectrum.ccpn_peaklist_symbol_style cross _nef_nmr_spectrum.ccpn_peaklist_text_colour '#7A7A7A' loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition _nef_spectrum_dimension.ccpn_axis_code 1 ppm 1H 850.1339722 3.613277003 2.596461062 none true true H 2 ppm 13C 213.7689972 18.00595522 27.33797668 none true false C 3 ppm 13C 213.7689972 18.00595522 27.33797668 none true false C1 stop_ loop_ _ccpn_spectrum_dimension.dimension_id _ccpn_spectrum_dimension.point_count _ccpn_spectrum_dimension.reference_point _ccpn_spectrum_dimension.total_point_count _ccpn_spectrum_dimension.assignment_tolerance _ccpn_spectrum_dimension.lower_aliasing_limit _ccpn_spectrum_dimension.higher_aliasing_limit _ccpn_spectrum_dimension.measurement_type _ccpn_spectrum_dimension.phase_0 _ccpn_spectrum_dimension.phase_1 _ccpn_spectrum_dimension.window_function _ccpn_spectrum_dimension.lorentzian_broadening _ccpn_spectrum_dimension.gaussian_broadening _ccpn_spectrum_dimension.sine_window_shift 1 307 . . 0.03 -1.005046309 2.596461062 Shift . . . . . . 2 512 . . 0.4 9.367189345 27.33797668 Shift . . . . . . 3 512 . . 0.4 9.367189345 27.33797668 Shift . . . . . . stop_ loop_ _nef_spectrum_dimension_transfer.dimension_1 _nef_spectrum_dimension_transfer.dimension_2 _nef_spectrum_dimension_transfer.transfer_type _nef_spectrum_dimension_transfer.is_indirect stop_ loop_ _nef_peak.index _nef_peak.peak_id _nef_peak.volume _nef_peak.volume_uncertainty _nef_peak.height _nef_peak.height_uncertainty _nef_peak.position_1 _nef_peak.position_uncertainty_1 _nef_peak.position_2 _nef_peak.position_uncertainty_2 _nef_peak.position_3 _nef_peak.position_uncertainty_3 _nef_peak.chain_code_1 _nef_peak.sequence_code_1 _nef_peak.residue_name_1 _nef_peak.atom_name_1 _nef_peak.chain_code_2 _nef_peak.sequence_code_2 _nef_peak.residue_name_2 _nef_peak.atom_name_2 _nef_peak.chain_code_3 _nef_peak.sequence_code_3 _nef_peak.residue_name_3 _nef_peak.atom_name_3 _nef_peak.ccpn_figure_of_merit _nef_peak.ccpn_linked_integral _nef_peak.ccpn_annotation _nef_peak.ccpn_comment _nef_peak.ccpn_peak_list_serial 1 410 87201535.12 . 4915744.5 . 0.8338833774 . 16.96833465 . 21.84339942 . A 64 LEU HD2% A 130 MET CE A 64 LEU CD2 1 . ' 64LeuH 130MetC 64LeuC ' . 1 2 655 221418867.8 . 12674725 . 2.193757903 . 21.83638617 . 16.97 . A 130 MET HE% A 64 LEU CD2 A 130 MET CE 1 . ' 130MetH 64LeuC 130MetC ' . 1 3 656 240098471 . 13666308 . 2.19324609 . 21.75641542 . 16.97 . A 130 MET HE% A 65 THR CG2 A 130 MET CE 1 . ' 130MetH 65ThrC 130MetC ' . 1 4 386 94088578.88 . 5657597 . 1.184739394 . 16.96672382 . 21.73268972 . A 65 THR HG2% A 130 MET CE A 65 THR CG2 1 . ' 65ThrH 130MetC 65ThrC ' . 1 5 387 53111273.06 . 3335745.25 . 1.186565739 . 16.4718808 . 21.71812009 . A 65 THR HG2% A 121 ALA CB A 65 THR CG2 1 . ' 65ThrH 121AlaC 65ThrC ' . 1 6 194 54312085.88 . 3060671.5 . 1.325110983 . 21.73164266 . 16.47769808 . A 121 ALA HB% A 65 THR CG2 A 121 ALA CB 1 . ' 121AlaH 65ThrC 121AlaC ' . 1 7 385 26400575.38 . 1603709.75 . 1.188126118 . 18.6113738 . 21.73412075 . A 65 THR HG2% A 124 ALA CB A 65 THR CG2 1 . ' 65ThrH 124AlaC 65ThrC ' . 1 8 268 27765841.09 . 1820282.125 . 1.500502607 . 21.73074479 . 18.60431022 . A 124 ALA HB% A 65 THR CG2 A 124 ALA CB 1 . ' 124AlaH 65ThrC 124AlaC ' . 1 9 384 44283376.56 . 2683995.75 . 1.184560379 . 19.17000579 . 21.7233819 . A 65 THR HG2% A 126 ALA CB A 65 THR CG2 1 . ' 65ThrH 126AlaC 65ThrC ' . 1 10 304 46350475.38 . 2713241.5 . 1.242640254 . 21.74150452 . 19.16522541 . A 126 ALA HB% A 65 THR CG2 A 126 ALA CB 1 . ' 126AlaH 65ThrC 126AlaC ' . 1 11 296 33333237.38 . 1778515.5 . 1.330259369 . 22.07810097 . 19.33143655 . A 21 ALA HB% A 109 THR CG2 A 21 ALA CB 1 . ' 21AlaH 109ThrC 21AlaC ' . 1 12 407 25426182.83 . 1692806.875 . 1.430281159 . 19.30577838 . 22.04096741 . A 109 THR HG2% A 21 ALA CB A 109 THR CG2 1 . ' 109ThrH 21AlaC 109ThrC ' . 1 13 20 28900875.12 . 1612643.25 . 0.9030685262 . 22.09147143 . 11.56214122 . A 26 ILE HD1% A 109 THR CG2 A 26 ILE CD1 1 . ' 26IleH 109ThrC 26IleC ' . 1 14 409 118688533.5 . 6321249 . 1.432553192 . 11.55080691 . 22.0731996 . A 109 THR HG2% A 26 ILE CD1 A 109 THR CG2 1 . ' 109ThrH 26IleC 109ThrC ' . 1 15 19 104176138.2 . 5029387 . 0.9027944507 . 18.61457177 . 11.5494177 . A 26 ILE HD1% A 111 ALA CB A 26 ILE CD1 1 . ' 26IleH 111AlaC 26IleC ' . 1 16 270 117801221.9 . 6219202 . 1.400350629 . 11.55435142 . 18.62327103 . A 111 ALA HB% A 26 ILE CD1 A 111 ALA CB 1 . ' 111AlaH 26IleC 111AlaC ' . 1 17 217 905443496 . 53787368 . 2.030457341 . 23.83129873 . 16.58092711 . A 119 MET HE% A 115 THR CG2 A 119 MET CE 1 . ' 119MetH 115ThrC 119MetC ' . 1 18 533 602526200 . 31872360 . 1.077051626 . 16.58095758 . 23.83060091 . A 115 THR HG2% A 119 MET CE A 115 THR CG2 1 . ' 115ThrH 119MetC 115ThrC ' . 1 19 216 37401801.62 . 2486890 . 2.030504602 . 22.18915637 . 16.57072387 . A 119 MET HE% A 122 LEU CD2 A 119 MET CE 1 . ' 119MetH 122LeuC 119MetC ' . 1 20 661 70230762.75 . 3854110.75 . 0.4105361758 . 16.57456837 . 22.2 . A 122 LEU HD2% A 119 MET CE A 122 LEU CD2 1 . ' 122LeuH 119MetC 122LeuC ' . 1 21 195 69062412.5 . 3855850 . 1.325997519 . 22.1948823 . 16.47596564 . A 121 ALA HB% A 122 LEU CD2 A 121 ALA CB 1 . ' 121AlaH 122LeuC 121AlaC ' . 1 22 445 88265433.88 . 4862541 . 0.4092083231 . 16.49624887 . 22.20617825 . A 122 LEU HD2% A 121 ALA CB A 122 LEU CD2 1 . ' 122LeuH 121AlaC 122LeuC ' . 1 23 192 53137311.25 . 3043163.25 . 1.326584823 . 18.59960955 . 16.47226347 . A 121 ALA HB% A 124 ALA CB A 121 ALA CB 1 . ' 121AlaH 124AlaC 121AlaC ' . 1 24 266 53455711 . 3069891.75 . 1.500160653 . 16.49083504 . 18.60238583 . A 124 ALA HB% A 121 ALA CB A 124 ALA CB 1 . ' 124AlaH 121AlaC 124AlaC ' . 1 25 193 225449918 . 12178891 . 1.326424878 . 19.19275039 . 16.4769157 . A 121 ALA HB% A 126 ALA CB A 121 ALA CB 1 . ' 121AlaH 126AlaC 121AlaC ' . 1 26 301 214463670 . 11624080 . 1.243133333 . 16.47696269 . 19.1963503 . A 126 ALA HB% A 121 ALA CB A 126 ALA CB 1 . ' 126AlaH 121AlaC 126AlaC ' . 1 27 305 222209656 . 12021871 . 1.242134003 . 22.19930484 . 19.1876132 . A 126 ALA HB% A 122 LEU CD2 A 126 ALA CB 1 . ' 126AlaH 122LeuC 126AlaC ' . 1 28 443 230941351 . 12436445 . 0.409387756 . 19.18403684 . 22.19570659 . A 122 LEU HD2% A 126 ALA CB A 122 LEU CD2 1 . ' 122LeuH 126AlaC 122LeuC ' . 1 29 444 65829430.62 . 3616461 . 0.4097027972 . 16.96801857 . 22.20223262 . A 122 LEU HD2% A 130 MET CE A 122 LEU CD2 1 . ' 122LeuH 130MetC 122LeuC ' . 1 30 226 108804757.5 . 6327859 . 2.194518538 . 22.19717726 . 16.97259984 . A 130 MET HE% A 122 LEU CD2 A 130 MET CE 1 . ' 130MetH 122LeuC 130MetC ' . 1 31 235 45544250.25 . 2519349.5 . 0.5380430949 . 11.55638354 . 17.42927419 . A 136 VAL HG2% A 26 ILE CD1 A 136 VAL CG2 1 . ' 136ValH 26IleC 136ValC ' . 1 32 18 47407052 . 2404252 . 0.9029389035 . 17.41584183 . 11.54628022 . A 26 ILE HD1% A 136 VAL CG2 A 26 ILE CD1 1 . ' 26IleH 136ValC 26IleC ' . 1 33 99 232531585.8 . 12173709 . 0.6464681111 . 26.30596145 . 14.48299595 . A 131 ILE HD1% A 29 LEU CD2 A 131 ILE CD1 1 . ' 131IleH 29LeuC 131IleC ' . 1 34 624 188412905.5 . 9815331 . 0.8768596193 . 14.48654681 . 26.30619803 . A 29 LEU HD2% A 131 ILE CD1 A 29 LEU CD2 1 . ' 29LeuH 131IleC 29LeuC ' . 1 35 622 282667362 . 14446024 . 0.8764128316 . 17.42818914 . 26.30596431 . A 29 LEU HD2% A 136 VAL CG2 A 29 LEU CD2 1 . ' 29LeuH 136ValC 29LeuC ' . 1 36 245 352039170 . 18890266 . 0.5364823604 . 26.3048421 . 17.43239535 . A 136 VAL HG2% A 29 LEU CD2 A 136 VAL CG2 1 . ' 136ValH 29LeuC 136ValC ' . 1 37 244 28744291.44 . 1421779 . 0.5371183644 . 24.55731198 . 17.38540381 . A 136 VAL HG2% A 32 LEU CD2 A 136 VAL CG2 1 . ' 136ValH 32LeuC 136ValC ' . 1 38 550 27065303.5 . 1797184.75 . 0.7720268907 . 17.42494734 . 24.5948306 . A 32 LEU HD2% A 136 VAL CG2 A 32 LEU CD2 1 . ' 32LeuH 136ValC 32LeuC ' . 1 39 128 28116352.81 . 1685574.5 . 0.6892261372 . 17.46400427 . 15.03699515 . A 43 ILE HD1% A 136 VAL CG2 A 43 ILE CD1 1 . ' 43IleH 136ValC 43IleC ' . 1 40 238 23460917.44 . 1242700.25 . 0.5383329924 . 15.02322502 . 17.44720927 . A 136 VAL HG2% A 43 ILE CD1 A 136 VAL CG2 1 . ' 136ValH 43IleC 136ValC ' . 1 41 456 17824581.31 . 1027236.625 . 0.9034644961 . 17.5832831 . 22.54159596 . A 48 LEU HD2% A 98 MET CE A 48 LEU CD2 1 . ' 48LeuH 98MetC 48LeuC ' . 1 42 653 61162735.25 . 3316228.5 . 1.725252595 . 22.57094453 . 17.58758807 . A 98 MET HE% A 48 LEU CD2 A 98 MET CE 1 . ' 98MetH 48LeuC 98MetC ' . 1 43 249 25154899.38 . 1408351.75 . 1.728912285 . 18.80808503 . 17.59528691 . A 98 MET HE% A 55 ALA CB A 98 MET CE 1 . ' 98MetH 55AlaC 98MetC ' . 1 44 150 40166394.62 . 2282880.75 . 0.8287594173 . 20.81374542 . 15.44560112 . A 96 ILE HD1% A 99 THR CG2 A 96 ILE CD1 1 . ' 96IleH 99ThrC 96IleC ' . 1 45 335 36333948.88 . 1965766.25 . 0.6459944801 . 15.45664645 . 20.79080492 . A 99 THR HG2% A 96 ILE CD1 A 99 THR CG2 1 . ' 99ThrH 96IleC 99ThrC ' . 1 46 251 166871640 . 9358479 . 1.725657963 . 20.81717598 . 17.58565295 . A 98 MET HE% A 186 VAL CG2 A 98 MET CE 1 . ' 98MetH 186ValC 98MetC ' . 1 47 345 110703828.5 . 5565534.5 . 1.070815831 . 17.58111283 . 20.80432893 . A 186 VAL HG2% A 98 MET CE A 186 VAL CG2 1 . ' 186ValH 98MetC 186ValC ' . 1 48 255 310624929 . 16850652 . 1.725694119 . 25.0773226 . 17.58406829 . A 98 MET HE% A 103 LEU CD2 A 98 MET CE 1 . ' 98MetH 103LeuC 98MetC ' . 1 49 570 284275719 . 14942516 . 0.7943918717 . 17.5832048 . 25.07500709 . A 103 LEU HD2% A 98 MET CE A 103 LEU CD2 1 . ' 103LeuH 98MetC 103LeuC ' . 1 50 367 213543356.8 . 10718612 . -0.8946185436 . 17.58687117 . 21.37830678 . A 107 LEU HD2% A 98 MET CE A 107 LEU CD2 1 . ' 107LeuH 98MetC 107LeuC ' . 1 51 252 245524613.5 . 13432818 . 1.725224293 . 21.37424029 . 17.58383526 . A 98 MET HE% A 107 LEU CD2 A 98 MET CE 1 . ' 98MetH 107LeuC 98MetC ' . 1 52 253 165705171 . 9040831 . 1.725391691 . 22.04016779 . 17.58301885 . A 98 MET HE% A 150 VAL CG2 A 98 MET CE 1 . ' 98MetH 150ValC 98MetC ' . 1 53 416 122649811.5 . 6085102 . 0.8127730761 . 17.58715458 . 22.03042403 . A 150 VAL HG2% A 98 MET CE A 150 VAL CG2 1 . ' 150ValH 98MetC 150ValC ' . 1 54 307 359784213 . 17875948 . 1.415416121 . 17.58262453 . 19.46247298 . A 152 THR HG2% A 98 MET CE A 152 THR CG2 1 . ' 152ThrH 98MetC 152ThrC ' . 1 55 250 398448390 . 21934416 . 1.725434207 . 19.46272259 . 17.58630311 . A 98 MET HE% A 152 THR CG2 A 98 MET CE 1 . ' 98MetH 152ThrC 98MetC ' . 1 56 248 55189269.75 . 3038143.5 . 1.724947118 . 16.56115055 . 17.58785823 . A 98 MET HE% A 180 MET CE A 98 MET CE 1 . ' 98MetH 180MetC 98MetC ' . 1 57 200 98216865.75 . 5744017 . 1.797540958 . 17.54899089 . 16.55670597 . A 180 MET HE% A 98 MET CE A 180 MET CE 1 . ' 180MetH 98MetC 180MetC ' . 1 58 254 465361416 . 25558070 . 1.725424789 . 22.87423156 . 17.58249703 . A 98 MET HE% A 184 THR CG2 A 98 MET CE 1 . ' 98MetH 184ThrC 98MetC ' . 1 59 469 365182948.5 . 18113540 . 1.014741797 . 17.58439345 . 22.8698655 . A 184 THR HG2% A 98 MET CE A 184 THR CG2 1 . ' 184ThrH 98MetC 184ThrC ' . 1 60 257 71043469.62 . 3941316 . 1.189101438 . 20.813869 . 17.77434303 . A 101 ALA HB% A 99 THR CG2 A 101 ALA CB 1 . ' 101AlaH 99ThrC 101AlaC ' . 1 61 336 80644125 . 4553047 . 0.6450091132 . 17.77070245 . 20.81741646 . A 99 THR HG2% A 101 ALA CB A 99 THR CG2 1 . ' 99ThrH 101AlaC 99ThrC ' . 1 62 256 79610735.5 . 4031656 . 1.190901405 . 14.90534943 . 17.77472803 . A 101 ALA HB% A 104 ILE CD1 A 101 ALA CB 1 . ' 101AlaH 104IleC 101AlaC ' . 1 63 142 84983900.75 . 4304844 . 0.5350078757 . 17.76015025 . 14.9086933 . A 104 ILE HD1% A 101 ALA CB A 104 ILE CD1 1 . ' 104IleH 101AlaC 104IleC ' . 1 64 147 63934503.12 . 3369574.5 . 0.5365480846 . 25.05859585 . 14.90966481 . A 104 ILE HD1% A 103 LEU CD2 A 104 ILE CD1 1 . ' 104IleH 103LeuC 104IleC ' . 1 65 571 65266315.88 . 3421494 . 0.7921624107 . 14.91297161 . 25.08730547 . A 103 LEU HD2% A 104 ILE CD1 A 103 LEU CD2 1 . ' 103LeuH 104IleC 103LeuC ' . 1 66 566 104136848.2 . 5434996 . 0.7933753879 . 21.36755124 . 25.0759981 . A 103 LEU HD2% A 107 LEU CD2 A 103 LEU CD2 1 . ' 103LeuH 107LeuC 103LeuC ' . 1 67 372 88992956.62 . 4583801.5 . -0.8955633206 . 25.07519783 . 21.3693392 . A 107 LEU HD2% A 103 LEU CD2 A 107 LEU CD2 1 . ' 107LeuH 103LeuC 107LeuC ' . 1 68 14 19763358.86 . 1312903.625 . 0.796826809 . 25.090361 . 11.55955914 . A 110 ILE HG1% A 103 LEU CD2 A 110 ILE CD1 1 . ' 110IleH 103LeuC 110IleC ' . 1 69 573 23749643.91 . 1244534.875 . 0.7919469988 . 11.52395045 . 25.10901967 . A 103 LEU HD2% A 110 ILE CD1 A 103 LEU CD2 1 . ' 103LeuH 110IleC 103LeuC ' . 1 70 567 60681385.5 . 3137112.5 . 0.793931698 . 22.03207109 . 25.05527319 . A 103 LEU HD2% A 150 VAL CG2 A 103 LEU CD2 1 . ' 103LeuH 150ValC 103LeuC ' . 1 71 421 40127603.62 . 2096813.5 . 0.813647773 . 25.06881181 . 22.02143956 . A 150 VAL HG2% A 103 LEU CD2 A 150 VAL CG2 1 . ' 150ValH 103LeuC 150ValC ' . 1 72 572 14031238.56 . 754036.25 . 0.7956626948 . 12.74398592 . 25.06139056 . A 103 LEU HD2% A 151 ILE CD1 A 103 LEU CD2 1 . ' 103LeuH 151IleC 103LeuC ' . 1 73 34 19956165.5 . 1390809 . 0.8900678877 . 25.0598264 . 12.75181303 . A 151 ILE HD1% A 103 LEU CD2 A 151 ILE CD1 1 . ' 151IleH 103LeuC 151IleC ' . 1 74 313 302937679.5 . 15187412 . 1.416315898 . 25.07833415 . 19.46361127 . A 152 THR HG2% A 103 LEU CD2 A 152 THR CG2 1 . ' 152ThrH 103LeuC 152ThrC ' . 1 75 569 337457588 . 17582068 . 0.7945190182 . 19.4672513 . 25.07654266 . A 103 LEU HD2% A 152 THR CG2 A 103 LEU CD2 1 . ' 103LeuH 152ThrC 103LeuC ' . 1 76 565 286438425.5 . 14627419 . 0.7941341344 . 23.05778814 . 25.07866639 . A 103 LEU HD2% A 172 VAL CG2 A 103 LEU CD2 1 . ' 103LeuH 172ValC 103LeuC ' . 1 77 483 241365748 . 13067764 . 1.2330481 . 25.07221711 . 23.056363 . A 172 VAL HG2% A 103 LEU CD2 A 172 VAL CG2 1 . ' 172ValH 103LeuC 172ValC ' . 1 78 145 95351722.75 . 4918494 . 0.5357858568 . 22.06374966 . 14.9112213 . A 104 ILE HD1% A 109 THR CG2 A 104 ILE CD1 1 . ' 104IleH 109ThrC 104IleC ' . 1 79 408 78927904.5 . 4221674.5 . 1.433112744 . 14.90951805 . 22.06238095 . A 109 THR HG2% A 104 ILE CD1 A 109 THR CG2 1 . ' 109ThrH 104IleC 109ThrC ' . 1 80 140 12585989.09 . 764009.4375 . 0.5351888194 . 11.53327876 . 14.89943685 . A 104 ILE HD1% A 110 ILE CD1 A 104 ILE CD1 1 . ' 104IleH 110IleC 104IleC ' . 1 81 8 15069086.8 . 1074650.25 . 0.7964352247 . 14.93536781 . 11.51117555 . A 110 ILE HG1% A 104 ILE CD1 A 110 ILE CD1 1 . ' 110IleH 104IleC 110IleC ' . 1 82 144 19208527.56 . 947744.25 . 0.5329659159 . 21.2771751 . 14.91499113 . A 104 ILE HD1% A 149 THR CG2 A 104 ILE CD1 1 . ' 104IleH 149ThrC 104IleC ' . 1 83 361 19150881.5 . 848372.5 . 1.478993618 . 14.91854122 . 21.2688256 . A 149 THR HG2% A 104 ILE CD1 A 149 THR CG2 1 . ' 149ThrH 104IleC 149ThrC ' . 1 84 146 472203887 . 24601740 . 0.5358753229 . 23.05725272 . 14.90935677 . A 104 ILE HD1% A 172 VAL CG2 A 104 ILE CD1 1 . ' 104IleH 172ValC 104IleC ' . 1 85 481 477490164 . 26650580 . 1.232640998 . 14.90866591 . 23.05660994 . A 172 VAL HG2% A 104 ILE CD1 A 172 VAL CG2 1 . ' 172ValH 104IleC 172ValC ' . 1 86 370 45684755.19 . 2260332 . -0.8927381343 . 22.56365721 . 21.36759749 . A 107 LEU HD2% A 48 LEU CD2 A 107 LEU CD2 1 . ' 107LeuH 48LeuC 107LeuC ' . 1 87 365 226977306 . 11303210 . -0.8943201974 . 22.03129195 . 21.37296606 . A 107 LEU HD2% A 150 VAL CG2 A 107 LEU CD2 1 . ' 107LeuH 150ValC 107LeuC ' . 1 88 658 185265021.2 . 9299450 . 0.8120842743 . 21.36851007 . 22.03778452 . A 150 VAL HG2% A 107 LEU CD2 A 150 VAL CG2 1 . ' 150ValH 107LeuC 150ValC ' . 1 89 659 31165917.5 . 1709730 . 1.417510114 . 21.38792374 . 19.49692565 . A 152 THR HG2% A 107 LEU CD2 A 152 THR CG2 1 . ' 152ThrH 107LeuC 152ThrC ' . 1 90 366 34413443.22 . 1946703.875 . -0.8962560209 . 19.46248371 . 21.39723016 . A 107 LEU HD2% A 152 THR CG2 A 107 LEU CD2 1 . ' 107LeuH 152ThrC 107LeuC ' . 1 91 371 72883569 . 3669275 . -0.8955370426 . 22.87092321 . 21.37430035 . A 107 LEU HD2% A 184 THR CG2 A 107 LEU CD2 1 . ' 107LeuH 184ThrC 107LeuC ' . 1 92 465 59046890.25 . 2883386 . 1.015262311 . 21.33624662 . 22.86031017 . A 184 THR HG2% A 107 LEU CD2 A 184 THR CG2 1 . ' 184ThrH 107LeuC 184ThrC ' . 1 93 406 66313107.38 . 3252018.5 . 1.4335663 . 23.0681951 . 22.05478314 . A 109 THR HG2% A 172 VAL CG2 A 109 THR CG2 1 . ' 109ThrH 172ValC 109ThrC ' . 1 94 475 50960610.56 . 2844645 . 1.232194293 . 22.06541481 . 23.05584465 . A 172 VAL HG2% A 109 THR CG2 A 172 VAL CG2 1 . ' 172ValH 109ThrC 172ValC ' . 1 95 10 30290624.38 . 1903367.75 . 0.79593161 . 18.61556747 . 11.53334508 . A 110 ILE HG1% A 111 ALA CB A 110 ILE CD1 1 . ' 110IleH 111AlaC 110IleC ' . 1 96 270 117801221.9 . 6219202 . 1.400350629 . 11.55435142 . 18.62327103 . A 111 ALA HB% A 110 ILE CD1 A 111 ALA CB 1 . ' 111AlaH 110IleC 111AlaC ' . 1 97 13 15274997.59 . 817691.125 . 0.7958916582 . 23.87027925 . 11.57340497 . A 110 ILE HG1% A 115 THR CG2 A 110 ILE CD1 1 . ' 110IleH 115ThrC 110IleC ' . 1 98 536 177967108.5 . 9144906 . 1.077022866 . 11.55494465 . 23.83077601 . A 115 THR HG2% A 110 ILE CD1 A 115 THR CG2 1 . ' 115ThrH 110IleC 115ThrC ' . 1 99 276 15535470.17 . 870624.6875 . 1.401491424 . 26.28415535 . 18.65160149 . A 111 ALA HB% A 29 LEU CD2 A 111 ALA CB 1 . ' 111AlaH 29LeuC 111AlaC ' . 1 100 652 15702879.02 . 998247.125 . 0.8764330364 . 18.59896009 . 26.29520865 . A 29 LEU HD2% A 111 ALA CB A 29 LEU CD2 1 . ' 29LeuH 111AlaC 29LeuC ' . 1 101 275 11946283.64 . 824779.75 . 1.397539586 . 22.06048598 . 18.66692579 . A 111 ALA HB% A 109 THR CG2 A 111 ALA CB 1 . ' 111AlaH 109ThrC 111AlaC ' . 1 102 274 81872872.25 . 4309924 . 1.400105702 . 23.82174717 . 18.61416983 . A 111 ALA HB% A 115 THR CG2 A 111 ALA CB 1 . ' 111AlaH 115ThrC 111AlaC ' . 1 103 531 89674209.25 . 4696117 . 1.077028858 . 18.61935039 . 23.8216904 . A 115 THR HG2% A 111 ALA CB A 115 THR CG2 1 . ' 115ThrH 111AlaC 115ThrC ' . 1 104 240 16706947.34 . 1129391.625 . 0.5363173527 . 18.60610092 . 17.4502932 . A 136 VAL HG2% A 111 ALA CB A 136 VAL CG2 1 . ' 136ValH 111AlaC 136ValC ' . 1 105 272 18715891.17 . 1229357.375 . 1.405924869 . 17.48045981 . 18.62148215 . A 111 ALA HB% A 136 VAL CG2 A 111 ALA CB 1 . ' 111AlaH 136ValC 111AlaC ' . 1 106 47 97727092.12 . 4994663 . 0.626385013 . 23.84479818 . 13.33345148 . A 128 ILE HD1% A 115 THR CG2 A 128 ILE CD1 1 . ' 128IleH 115ThrC 128IleC ' . 1 107 535 80534759.25 . 4183826.75 . 1.077215442 . 13.33995992 . 23.83151413 . A 115 THR HG2% A 128 ILE CD1 A 115 THR CG2 1 . ' 115ThrH 128IleC 115ThrC ' . 1 108 534 57325421.12 . 3048100.75 . 1.076283677 . 14.48056745 . 23.83848792 . A 115 THR HG2% A 131 ILE CD1 A 115 THR CG2 1 . ' 115ThrH 131IleC 115ThrC ' . 1 109 96 64709351.12 . 3326127 . 0.6459879275 . 23.82931492 . 14.47481193 . A 131 ILE HD1% A 115 THR CG2 A 131 ILE CD1 1 . ' 131IleH 115ThrC 131IleC ' . 1 110 265 39643888.62 . 2073709.5 . 1.653598942 . 16.48037625 . 17.95748839 . A 117 ALA HB% A 121 ALA CB A 117 ALA CB 1 . ' 117AlaH 121AlaC 117AlaC ' . 1 111 191 31347594.75 . 1768383.875 . 1.325206867 . 17.98119008 . 16.48482993 . A 121 ALA HB% A 117 ALA CB A 121 ALA CB 1 . ' 121AlaH 117AlaC 121AlaC ' . 1 112 41 83087718.62 . 4217029 . 0.6246727479 . 16.5716714 . 13.34552985 . A 128 ILE HD1% A 119 MET CE A 128 ILE CD1 1 . ' 128IleH 119MetC 128IleC ' . 1 113 211 98095866.62 . 5734806 . 2.029736312 . 13.33634581 . 16.57828149 . A 119 MET HE% A 128 ILE CD1 A 119 MET CE 1 . ' 119MetH 128IleC 119MetC ' . 1 114 190 202867058.5 . 10887520 . 1.326457839 . 16.96895484 . 16.47946294 . A 121 ALA HB% A 130 MET CE A 121 ALA CB 1 . ' 121AlaH 130MetC 121AlaC ' . 1 115 46 689877390 . 36615300 . 0.6280992826 . 22.19719725 . 13.35731678 . A 128 ILE HD1% A 122 LEU CD2 A 128 ILE CD1 1 . ' 128IleH 122LeuC 128IleC ' . 1 116 448 619091888 . 33857756 . 0.4088624542 . 13.35661785 . 22.19541657 . A 122 LEU HD2% A 128 ILE CD1 A 122 LEU CD2 1 . ' 122LeuH 128IleC 122LeuC ' . 1 117 303 49092463.44 . 2754123.5 . 1.245026997 . 18.59242521 . 19.2166728 . A 126 ALA HB% A 124 ALA CB A 126 ALA CB 1 . ' 126AlaH 124AlaC 126AlaC ' . 1 118 267 19542749.23 . 1253117.375 . 1.50001387 . 16.95607899 . 18.60636678 . A 124 ALA HB% A 130 MET CE A 124 ALA CB 1 . ' 124AlaH 130MetC 124AlaC ' . 1 119 222 44092758.88 . 2812206.75 . 2.198038123 . 18.58766818 . 16.97204726 . A 130 MET HE% A 124 ALA CB A 130 MET CE 1 . ' 130MetH 124AlaC 130MetC ' . 1 120 44 35668887.12 . 2034950.625 . 0.6280519066 . 19.1889312 . 13.35357585 . A 128 ILE HD1% A 126 ALA CB A 128 ILE CD1 1 . ' 128IleH 126AlaC 128IleC ' . 1 121 299 37767263.5 . 2153465.5 . 1.241920177 . 13.35023587 . 19.16154957 . A 126 ALA HB% A 128 ILE CD1 A 126 ALA CB 1 . ' 126AlaH 128IleC 126AlaC ' . 1 122 302 245984392.5 . 13485724 . 1.242107298 . 16.97162725 . 19.18582322 . A 126 ALA HB% A 130 MET CE A 126 ALA CB 1 . ' 126AlaH 130MetC 126AlaC ' . 1 123 223 414124322 . 24617312 . 2.194525379 . 19.18597283 . 16.9725658 . A 130 MET HE% A 126 ALA CB A 130 MET CE 1 . ' 130MetH 126AlaC 130MetC ' . 1 124 220 24548199.3 . 1698057.625 . 2.194260306 . 13.33935741 . 16.94691703 . A 130 MET HE% A 128 ILE CD1 A 130 MET CE 1 . ' 130MetH 128IleC 130MetC ' . 1 125 42 58524130.25 . 3123850.25 . 0.6241479955 . 16.88839491 . 13.3377703 . A 128 ILE HD1% A 130 MET CE A 128 ILE CD1 1 . ' 128IleH 130MetC 128IleC ' . 1 126 39 1098191484 . 55354264 . 0.6257920015 . 14.48549151 . 13.34161351 . A 33 ILE HD1% A 131 ILE CD1 A 33 ILE CD1 1 . ' (128Ile/33Ile)H 131IleC (128Ile/33Ile)C ' . 1 127 39 1098191484 . 55354264 . 0.6257920015 . 14.48549151 . 13.34161351 . A 33 ILE HD1% A 131 ILE CD1 A 128 ILE CD1 1 . ' (128Ile/33Ile)H 131IleC (128Ile/33Ile)C ' . 1 128 39 1098191484 . 55354264 . 0.6257920015 . 14.48549151 . 13.34161351 . A 128 ILE HD1% A 131 ILE CD1 A 33 ILE CD1 1 . ' (128Ile/33Ile)H 131IleC (128Ile/33Ile)C ' . 1 129 39 1098191484 . 55354264 . 0.6257920015 . 14.48549151 . 13.34161351 . A 128 ILE HD1% A 131 ILE CD1 A 128 ILE CD1 1 . ' (128Ile/33Ile)H 131IleC (128Ile/33Ile)C ' . 1 130 89 1103511444 . 57380032 . 0.6462300679 . 13.33895735 . 14.48369323 . A 131 ILE HD1% A 33 ILE CD1 A 131 ILE CD1 1 . ' 131IleH (33Ile/128Ile)C 131IleC ' . 1 131 89 1103511444 . 57380032 . 0.6462300679 . 13.33895735 . 14.48369323 . A 131 ILE HD1% A 128 ILE CD1 A 131 ILE CD1 1 . ' 131IleH (33Ile/128Ile)C 131IleC ' . 1 132 90 156367159.8 . 7488415.5 . 0.6493276321 . 15.02806357 . 14.49914605 . A 131 ILE HD1% A 43 ILE CD1 A 131 ILE CD1 1 . ' 131IleH 43IleC 131IleC ' . 1 133 237 298916719 . 16165618 . 0.5361747126 . 14.48376489 . 17.42955361 . A 136 VAL HG2% A 131 ILE CD1 A 136 VAL CG2 1 . ' 136ValH 131IleC 136ValC ' . 1 134 92 301593888.5 . 15589972 . 0.6460119211 . 17.42768534 . 14.4846375 . A 131 ILE HD1% A 136 VAL CG2 A 131 ILE CD1 1 . ' 131IleH 136ValC 131IleC ' . 1 135 97 88175857.5 . 4751867 . 0.6465639295 . 24.26918008 . 14.47466067 . A 131 ILE HD1% A 143 LEU CD2 A 131 ILE CD1 1 . ' 131IleH 143LeuC 131IleC ' . 1 136 540 80579903.88 . 4762271 . 1.031260603 . 14.48905077 . 24.2692945 . A 143 LEU HD2% A 131 ILE CD1 A 143 LEU CD2 1 . ' 143LeuH 131IleC 143LeuC ' . 1 137 43 212460215 . 10883460 . 0.6243526299 . 17.42900722 . 13.33325244 . A 33 ILE HD1% A 136 VAL CG2 A 33 ILE CD1 1 . ' (33Ile/128Ile)H 136ValC (128Ile/33Ile)C ' . 1 138 43 212460215 . 10883460 . 0.6243526299 . 17.42900722 . 13.33325244 . A 33 ILE HD1% A 136 VAL CG2 A 128 ILE CD1 1 . ' (33Ile/128Ile)H 136ValC (128Ile/33Ile)C ' . 1 139 43 212460215 . 10883460 . 0.6243526299 . 17.42900722 . 13.33325244 . A 128 ILE HD1% A 136 VAL CG2 A 33 ILE CD1 1 . ' (33Ile/128Ile)H 136ValC (128Ile/33Ile)C ' . 1 140 43 212460215 . 10883460 . 0.6243526299 . 17.42900722 . 13.33325244 . A 128 ILE HD1% A 136 VAL CG2 A 128 ILE CD1 1 . ' (33Ile/128Ile)H 136ValC (128Ile/33Ile)C ' . 1 141 236 232992647 . 12445022 . 0.5363517034 . 13.33571806 . 17.42858202 . A 136 VAL HG2% A 33 ILE CD1 A 136 VAL CG2 1 . ' 136ValH (33Ile/128Ile)C 136ValC ' . 1 142 236 232992647 . 12445022 . 0.5363517034 . 13.33571806 . 17.42858202 . A 136 VAL HG2% A 128 ILE CD1 A 136 VAL CG2 1 . ' 136ValH (33Ile/128Ile)C 136ValC ' . 1 143 243 20509328.06 . 1240025.5 . 0.5374877029 . 24.25361782 . 17.45171351 . A 136 VAL HG2% A 143 LEU CD2 A 136 VAL CG2 1 . ' 136ValH 143LeuC 136ValC ' . 1 144 663 12858866.79 . 749505.25 . 1.030341339 . 17.44618542 . 24.21069215 . A 143 LEU HD2% A 136 VAL CG2 A 143 LEU CD2 1 . ' 143LeuH 136ValC 143LeuC ' . 1 145 27 19119852.03 . 1205022.875 . 0.8887982364 . 17.59849862 . 12.72841182 . A 151 ILE HD1% A 98 MET CE A 151 ILE CD1 1 . ' 151IleH 98MetC 151IleC ' . 1 146 480 47158195.25 . 2496680.5 . 1.232638338 . 17.59647286 . 23.06426573 . A 172 VAL HG2% A 98 MET CE A 172 VAL CG2 1 . ' 172ValH 98MetC 172ValC ' . 1 147 208 23252712.66 . 1420045.75 . 1.79794343 . 25.07521118 . 16.55279724 . A 180 MET HE% A 103 LEU CD2 A 180 MET CE 1 . ' 180MetH 103LeuC 180MetC ' . 1 148 473 42799668.81 . 2118645.5 . 1.014761909 . 25.06387053 . 22.84558836 . A 184 THR HG2% A 103 LEU CD2 A 184 THR CG2 1 . ' 184ThrH 103LeuC 184ThrC ' . 1 149 9 25640200.59 . 1647203.75 . 0.7966775414 . 17.55179854 . 11.527844 . A 110 ILE HG1% A 98 MET CE A 110 ILE CD1 1 . ' 110IleH 98MetC 110IleC ' . 1 150 246 21464144 . 1067435.375 . 1.724618929 . 11.55450222 . 17.5843018 . A 98 MET HE% A 110 ILE CD1 A 98 MET CE 1 . ' 98MetH 110IleC 98MetC ' . 1 151 568 29286412.19 . 1766467.75 . 0.793931392 . 20.77887524 . 25.06226278 . A 103 LEU HD2% A 19 THR CG2 A 103 LEU CD2 1 . ' 103LeuH (99Thr/19Thr)C 103LeuC ' . 1 152 568 29286412.19 . 1766467.75 . 0.793931392 . 20.77887524 . 25.06226278 . A 103 LEU HD2% A 99 THR CG2 A 103 LEU CD2 1 . ' 103LeuH (99Thr/19Thr)C 103LeuC ' . 1 153 143 20301851.97 . 998743.5 . 0.5318459685 . 20.77208467 . 14.91171015 . A 104 ILE HD1% A 19 THR CG2 A 104 ILE CD1 1 . ' 104IleH 19ThrC 104IleC ' . 1 154 657 11941040.23 . 793784.75 . 0.9219091817 . 14.90385668 . 20.81853132 . A 19 THR HG2% A 104 ILE CD1 A 19 THR CG2 1 . ' 19ThrH 104IleC 19ThrC ' . 1 155 409 118688533.5 . 6321249 . 1.432553192 . 11.55080691 . 22.0731996 . A 109 THR HG2% A 110 ILE CD1 A 109 THR CG2 1 . ' 109ThrH 110IleC 109ThrC ' . 1 156 11 154989433.5 . 9076774 . 0.7965249505 . 22.067402 . 11.55257877 . A 110 ILE HG1% A 109 THR CG2 A 110 ILE CD1 1 . ' 110IleH 109ThrC 110IleC ' . 1 157 81 37607219.94 . 1981344.125 . 0.8637445782 . 20.79427492 . 14.32330039 . A 187 ILE HD1% A 99 THR CG2 A 59 ILE CD1 1 . ' (59Ile/187Ile)H (99Thr/186Val)C (187Ile/59Ile)C ' . 1 158 81 37607219.94 . 1981344.125 . 0.8637445782 . 20.79427492 . 14.32330039 . A 187 ILE HD1% A 99 THR CG2 A 187 ILE CD1 1 . ' (59Ile/187Ile)H (99Thr/186Val)C (187Ile/59Ile)C ' . 1 159 81 37607219.94 . 1981344.125 . 0.8637445782 . 20.79427492 . 14.32330039 . A 187 ILE HD1% A 186 VAL CG2 A 59 ILE CD1 1 . ' (59Ile/187Ile)H (99Thr/186Val)C (187Ile/59Ile)C ' . 1 160 81 37607219.94 . 1981344.125 . 0.8637445782 . 20.79427492 . 14.32330039 . A 187 ILE HD1% A 186 VAL CG2 A 187 ILE CD1 1 . ' (59Ile/187Ile)H (99Thr/186Val)C (187Ile/59Ile)C ' . 1 161 669 15536411.92 . 645646.625 . 0.6486068084 . 14.31435879 . 20.81 . A 99 THR HG2% A 59 ILE CD1 A 99 THR CG2 1 . ' 99ThrH 59IleC 99ThrC ' . 1 162 342 21065859.17 . 1174538.75 . 1.0722457 . 14.34362014 . 20.81480939 . A 186 VAL HG2% A 187 ILE CD1 A 186 VAL CG2 1 . ' 186ValH 187IleC 186ValC ' . 1 163 664 125948301.2 . 6083532 . -0.8904072643 . 20.86337877 . 21.37852689 . A 107 LEU HD2% A 99 THR CG2 A 107 LEU CD2 1 . ' 107LeuH (186Val/99Thr)C 107LeuC ' . 1 164 664 125948301.2 . 6083532 . -0.8904072643 . 20.86337877 . 21.37852689 . A 107 LEU HD2% A 186 VAL CG2 A 107 LEU CD2 1 . ' 107LeuH (186Val/99Thr)C 107LeuC ' . 1 165 665 120449659.8 . 5138787.5 . 1.078196079 . 21.27655331 . 20.80319365 . A 186 VAL HG2% A 107 LEU CD2 A 186 VAL CG2 1 . ' 186ValH 107LeuC 186ValC ' . 1 stop_ loop_ _ccpn_spectrum_reference_substances.serial _ccpn_spectrum_reference_substances.name _ccpn_spectrum_reference_substances.labelling stop_ save_ ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 H-methyl . folded 10245.902 Hz . . . 4.868 . . 34759 1 2 . . C 13 C-methyl . folded 3849.115 Hz . . . 18.335 . . 34759 1 3 . . C 13 C-methyl . folded 3849.115 Hz . . . 18.335 . . 34759 1 stop_ save_