data_34758 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34758 _Entry.Title ; Human HSP90 alpha ATP Binding Domain, ATP-lid open conformation, R60A ; _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. . . . 34758 2 F. Henot F. . . . 34758 3 A. Favier A. . . . 34758 4 P. Macek P. . . . 34758 5 E. Crublet E. . . . 34758 6 P. Josso P. . . . 34758 7 B. Brutscher B. . . . 34758 8 M. Frech M. . . . 34758 9 P. Gans P. . . . 34758 10 C. Loison C. . . . 34758 11 J. Boisbouvier J. . . . 34758 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'ATP Binding Domain' . 34758 'ATP-lid Open State' . 34758 CHAPERONE . 34758 'Ground State' . 34758 'HSP90 alpha' . 34758 'Human Chaperone Protein' . 34758 'N-Terminal Domain' . 34758 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34758 spectral_peak_list 1 34758 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 624 34758 '15N chemical shifts' 166 34758 '1H chemical shifts' 427 34758 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' 34758 1 . . 2022-11-08 2022-09-30 original author 'original release' 34758 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 8B7I 'BMRB Entry Tracking System' 34758 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34758 _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. . . . 34758 1 2 Elisa Rioual E. . . . 34758 1 3 Adrien Favier A. . . . 34758 1 4 Pavel Macek P. . . . 34758 1 5 Elodie Crublet E. . . . 34758 1 6 Pierre Josso P. . . . 34758 1 7 Bernhard Brutscher B. . . . 34758 1 8 Matthias Frech M. . . . 34758 1 9 Pierre Gans P. . . . 34758 1 10 Claire Loison C. . . . 34758 1 11 Jerome Boisbouvier J. . . . 34758 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34758 _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 . . . . . . 34758 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34758 _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 R60A _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 . 34758 1 2 -28 GLY . 34758 1 3 -27 SER . 34758 1 4 -26 SER . 34758 1 5 -25 HIS . 34758 1 6 -24 HIS . 34758 1 7 -23 HIS . 34758 1 8 -22 HIS . 34758 1 9 -21 HIS . 34758 1 10 -20 HIS . 34758 1 11 -19 SER . 34758 1 12 -18 SER . 34758 1 13 -17 GLY . 34758 1 14 -16 LEU . 34758 1 15 -15 VAL . 34758 1 16 -14 PRO . 34758 1 17 -13 ARG . 34758 1 18 -12 GLY . 34758 1 19 -11 SER . 34758 1 20 -10 HIS . 34758 1 21 -9 ASN . 34758 1 22 -8 GLN . 34758 1 23 -7 THR . 34758 1 24 -6 SER . 34758 1 25 -5 LEU . 34758 1 26 -4 TYR . 34758 1 27 -3 LYS . 34758 1 28 -2 LYS . 34758 1 29 -1 ALA . 34758 1 30 0 GLY . 34758 1 31 1 PHE . 34758 1 32 2 GLU . 34758 1 33 3 ASN . 34758 1 34 4 LEU . 34758 1 35 5 TYR . 34758 1 36 6 PHE . 34758 1 37 7 GLN . 34758 1 38 8 GLY . 34758 1 39 9 ASP . 34758 1 40 10 GLN . 34758 1 41 11 PRO . 34758 1 42 12 MET . 34758 1 43 13 GLU . 34758 1 44 14 GLU . 34758 1 45 15 GLU . 34758 1 46 16 GLU . 34758 1 47 17 VAL . 34758 1 48 18 GLU . 34758 1 49 19 THR . 34758 1 50 20 PHE . 34758 1 51 21 ALA . 34758 1 52 22 PHE . 34758 1 53 23 GLN . 34758 1 54 24 ALA . 34758 1 55 25 GLU . 34758 1 56 26 ILE . 34758 1 57 27 ALA . 34758 1 58 28 GLN . 34758 1 59 29 LEU . 34758 1 60 30 MET . 34758 1 61 31 SER . 34758 1 62 32 LEU . 34758 1 63 33 ILE . 34758 1 64 34 ILE . 34758 1 65 35 ASN . 34758 1 66 36 THR . 34758 1 67 37 PHE . 34758 1 68 38 TYR . 34758 1 69 39 SER . 34758 1 70 40 ASN . 34758 1 71 41 LYS . 34758 1 72 42 GLU . 34758 1 73 43 ILE . 34758 1 74 44 PHE . 34758 1 75 45 LEU . 34758 1 76 46 ARG . 34758 1 77 47 GLU . 34758 1 78 48 LEU . 34758 1 79 49 ILE . 34758 1 80 50 SER . 34758 1 81 51 ASN . 34758 1 82 52 SER . 34758 1 83 53 SER . 34758 1 84 54 ASP . 34758 1 85 55 ALA . 34758 1 86 56 LEU . 34758 1 87 57 ASP . 34758 1 88 58 LYS . 34758 1 89 59 ILE . 34758 1 90 60 ARG . 34758 1 91 61 TYR . 34758 1 92 62 GLU . 34758 1 93 63 THR . 34758 1 94 64 LEU . 34758 1 95 65 THR . 34758 1 96 66 ASP . 34758 1 97 67 PRO . 34758 1 98 68 SER . 34758 1 99 69 LYS . 34758 1 100 70 LEU . 34758 1 101 71 ASP . 34758 1 102 72 SER . 34758 1 103 73 GLY . 34758 1 104 74 LYS . 34758 1 105 75 GLU . 34758 1 106 76 LEU . 34758 1 107 77 HIS . 34758 1 108 78 ILE . 34758 1 109 79 ASN . 34758 1 110 80 LEU . 34758 1 111 81 ILE . 34758 1 112 82 PRO . 34758 1 113 83 ASN . 34758 1 114 84 LYS . 34758 1 115 85 GLN . 34758 1 116 86 ASP . 34758 1 117 87 ARG . 34758 1 118 88 THR . 34758 1 119 89 LEU . 34758 1 120 90 THR . 34758 1 121 91 ILE . 34758 1 122 92 VAL . 34758 1 123 93 ASP . 34758 1 124 94 THR . 34758 1 125 95 GLY . 34758 1 126 96 ILE . 34758 1 127 97 GLY . 34758 1 128 98 MET . 34758 1 129 99 THR . 34758 1 130 100 LYS . 34758 1 131 101 ALA . 34758 1 132 102 ASP . 34758 1 133 103 LEU . 34758 1 134 104 ILE . 34758 1 135 105 ASN . 34758 1 136 106 ASN . 34758 1 137 107 LEU . 34758 1 138 108 GLY . 34758 1 139 109 THR . 34758 1 140 110 ILE . 34758 1 141 111 ALA . 34758 1 142 112 LYS . 34758 1 143 113 SER . 34758 1 144 114 GLY . 34758 1 145 115 THR . 34758 1 146 116 LYS . 34758 1 147 117 ALA . 34758 1 148 118 PHE . 34758 1 149 119 MET . 34758 1 150 120 GLU . 34758 1 151 121 ALA . 34758 1 152 122 LEU . 34758 1 153 123 GLN . 34758 1 154 124 ALA . 34758 1 155 125 GLY . 34758 1 156 126 ALA . 34758 1 157 127 ASP . 34758 1 158 128 ILE . 34758 1 159 129 SER . 34758 1 160 130 MET . 34758 1 161 131 ILE . 34758 1 162 132 GLY . 34758 1 163 133 GLN . 34758 1 164 134 PHE . 34758 1 165 135 GLY . 34758 1 166 136 VAL . 34758 1 167 137 GLY . 34758 1 168 138 PHE . 34758 1 169 139 TYR . 34758 1 170 140 SER . 34758 1 171 141 ALA . 34758 1 172 142 TYR . 34758 1 173 143 LEU . 34758 1 174 144 VAL . 34758 1 175 145 ALA . 34758 1 176 146 GLU . 34758 1 177 147 LYS . 34758 1 178 148 VAL . 34758 1 179 149 THR . 34758 1 180 150 VAL . 34758 1 181 151 ILE . 34758 1 182 152 THR . 34758 1 183 153 LYS . 34758 1 184 154 HIS . 34758 1 185 155 ASN . 34758 1 186 156 ASP . 34758 1 187 157 ASP . 34758 1 188 158 GLU . 34758 1 189 159 GLN . 34758 1 190 160 TYR . 34758 1 191 161 ALA . 34758 1 192 162 TRP . 34758 1 193 163 GLU . 34758 1 194 164 SER . 34758 1 195 165 SER . 34758 1 196 166 ALA . 34758 1 197 167 GLY . 34758 1 198 168 GLY . 34758 1 199 169 SER . 34758 1 200 170 PHE . 34758 1 201 171 THR . 34758 1 202 172 VAL . 34758 1 203 173 ARG . 34758 1 204 174 THR . 34758 1 205 175 ASP . 34758 1 206 176 THR . 34758 1 207 177 GLY . 34758 1 208 178 GLU . 34758 1 209 179 PRO . 34758 1 210 180 MET . 34758 1 211 181 GLY . 34758 1 212 182 ARG . 34758 1 213 183 GLY . 34758 1 214 184 THR . 34758 1 215 185 LYS . 34758 1 216 186 VAL . 34758 1 217 187 ILE . 34758 1 218 188 LEU . 34758 1 219 189 HIS . 34758 1 220 190 LEU . 34758 1 221 191 LYS . 34758 1 222 192 GLU . 34758 1 223 193 ASP . 34758 1 224 194 GLN . 34758 1 225 195 THR . 34758 1 226 196 GLU . 34758 1 227 197 TYR . 34758 1 228 198 LEU . 34758 1 229 199 GLU . 34758 1 230 200 GLU . 34758 1 231 201 ARG . 34758 1 232 202 ARG . 34758 1 233 203 ILE . 34758 1 234 204 LYS . 34758 1 235 205 GLU . 34758 1 236 206 ILE . 34758 1 237 207 VAL . 34758 1 238 208 LYS . 34758 1 239 209 LYS . 34758 1 240 210 HIS . 34758 1 241 211 SER . 34758 1 242 212 GLN . 34758 1 243 213 PHE . 34758 1 244 214 ILE . 34758 1 245 215 GLY . 34758 1 246 216 TYR . 34758 1 247 217 PRO . 34758 1 248 218 ILE . 34758 1 249 219 THR . 34758 1 250 220 LEU . 34758 1 251 221 PHE . 34758 1 252 222 VAL . 34758 1 253 223 GLU . 34758 1 254 224 LYS . 34758 1 255 225 GLU . 34758 1 256 226 ARG . 34758 1 257 227 ASP . 34758 1 258 228 LYS . 34758 1 259 229 GLU . 34758 1 260 230 VAL . 34758 1 261 231 SER . 34758 1 262 232 ASP . 34758 1 263 233 ASP . 34758 1 264 234 GLU . 34758 1 265 235 ALA . 34758 1 266 236 GLU . 34758 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 34758 1 . GLY 2 2 34758 1 . SER 3 3 34758 1 . SER 4 4 34758 1 . HIS 5 5 34758 1 . HIS 6 6 34758 1 . HIS 7 7 34758 1 . HIS 8 8 34758 1 . HIS 9 9 34758 1 . HIS 10 10 34758 1 . SER 11 11 34758 1 . SER 12 12 34758 1 . GLY 13 13 34758 1 . LEU 14 14 34758 1 . VAL 15 15 34758 1 . PRO 16 16 34758 1 . ARG 17 17 34758 1 . GLY 18 18 34758 1 . SER 19 19 34758 1 . HIS 20 20 34758 1 . ASN 21 21 34758 1 . GLN 22 22 34758 1 . THR 23 23 34758 1 . SER 24 24 34758 1 . LEU 25 25 34758 1 . TYR 26 26 34758 1 . LYS 27 27 34758 1 . LYS 28 28 34758 1 . ALA 29 29 34758 1 . GLY 30 30 34758 1 . PHE 31 31 34758 1 . GLU 32 32 34758 1 . ASN 33 33 34758 1 . LEU 34 34 34758 1 . TYR 35 35 34758 1 . PHE 36 36 34758 1 . GLN 37 37 34758 1 . GLY 38 38 34758 1 . ASP 39 39 34758 1 . GLN 40 40 34758 1 . PRO 41 41 34758 1 . MET 42 42 34758 1 . GLU 43 43 34758 1 . GLU 44 44 34758 1 . GLU 45 45 34758 1 . GLU 46 46 34758 1 . VAL 47 47 34758 1 . GLU 48 48 34758 1 . THR 49 49 34758 1 . PHE 50 50 34758 1 . ALA 51 51 34758 1 . PHE 52 52 34758 1 . GLN 53 53 34758 1 . ALA 54 54 34758 1 . GLU 55 55 34758 1 . ILE 56 56 34758 1 . ALA 57 57 34758 1 . GLN 58 58 34758 1 . LEU 59 59 34758 1 . MET 60 60 34758 1 . SER 61 61 34758 1 . LEU 62 62 34758 1 . ILE 63 63 34758 1 . ILE 64 64 34758 1 . ASN 65 65 34758 1 . THR 66 66 34758 1 . PHE 67 67 34758 1 . TYR 68 68 34758 1 . SER 69 69 34758 1 . ASN 70 70 34758 1 . LYS 71 71 34758 1 . GLU 72 72 34758 1 . ILE 73 73 34758 1 . PHE 74 74 34758 1 . LEU 75 75 34758 1 . ARG 76 76 34758 1 . GLU 77 77 34758 1 . LEU 78 78 34758 1 . ILE 79 79 34758 1 . SER 80 80 34758 1 . ASN 81 81 34758 1 . SER 82 82 34758 1 . SER 83 83 34758 1 . ASP 84 84 34758 1 . ALA 85 85 34758 1 . LEU 86 86 34758 1 . ASP 87 87 34758 1 . LYS 88 88 34758 1 . ILE 89 89 34758 1 . ARG 90 90 34758 1 . TYR 91 91 34758 1 . GLU 92 92 34758 1 . THR 93 93 34758 1 . LEU 94 94 34758 1 . THR 95 95 34758 1 . ASP 96 96 34758 1 . PRO 97 97 34758 1 . SER 98 98 34758 1 . LYS 99 99 34758 1 . LEU 100 100 34758 1 . ASP 101 101 34758 1 . SER 102 102 34758 1 . GLY 103 103 34758 1 . LYS 104 104 34758 1 . GLU 105 105 34758 1 . LEU 106 106 34758 1 . HIS 107 107 34758 1 . ILE 108 108 34758 1 . ASN 109 109 34758 1 . LEU 110 110 34758 1 . ILE 111 111 34758 1 . PRO 112 112 34758 1 . ASN 113 113 34758 1 . LYS 114 114 34758 1 . GLN 115 115 34758 1 . ASP 116 116 34758 1 . ARG 117 117 34758 1 . THR 118 118 34758 1 . LEU 119 119 34758 1 . THR 120 120 34758 1 . ILE 121 121 34758 1 . VAL 122 122 34758 1 . ASP 123 123 34758 1 . THR 124 124 34758 1 . GLY 125 125 34758 1 . ILE 126 126 34758 1 . GLY 127 127 34758 1 . MET 128 128 34758 1 . THR 129 129 34758 1 . LYS 130 130 34758 1 . ALA 131 131 34758 1 . ASP 132 132 34758 1 . LEU 133 133 34758 1 . ILE 134 134 34758 1 . ASN 135 135 34758 1 . ASN 136 136 34758 1 . LEU 137 137 34758 1 . GLY 138 138 34758 1 . THR 139 139 34758 1 . ILE 140 140 34758 1 . ALA 141 141 34758 1 . LYS 142 142 34758 1 . SER 143 143 34758 1 . GLY 144 144 34758 1 . THR 145 145 34758 1 . LYS 146 146 34758 1 . ALA 147 147 34758 1 . PHE 148 148 34758 1 . MET 149 149 34758 1 . GLU 150 150 34758 1 . ALA 151 151 34758 1 . LEU 152 152 34758 1 . GLN 153 153 34758 1 . ALA 154 154 34758 1 . GLY 155 155 34758 1 . ALA 156 156 34758 1 . ASP 157 157 34758 1 . ILE 158 158 34758 1 . SER 159 159 34758 1 . MET 160 160 34758 1 . ILE 161 161 34758 1 . GLY 162 162 34758 1 . GLN 163 163 34758 1 . PHE 164 164 34758 1 . GLY 165 165 34758 1 . VAL 166 166 34758 1 . GLY 167 167 34758 1 . PHE 168 168 34758 1 . TYR 169 169 34758 1 . SER 170 170 34758 1 . ALA 171 171 34758 1 . TYR 172 172 34758 1 . LEU 173 173 34758 1 . VAL 174 174 34758 1 . ALA 175 175 34758 1 . GLU 176 176 34758 1 . LYS 177 177 34758 1 . VAL 178 178 34758 1 . THR 179 179 34758 1 . VAL 180 180 34758 1 . ILE 181 181 34758 1 . THR 182 182 34758 1 . LYS 183 183 34758 1 . HIS 184 184 34758 1 . ASN 185 185 34758 1 . ASP 186 186 34758 1 . ASP 187 187 34758 1 . GLU 188 188 34758 1 . GLN 189 189 34758 1 . TYR 190 190 34758 1 . ALA 191 191 34758 1 . TRP 192 192 34758 1 . GLU 193 193 34758 1 . SER 194 194 34758 1 . SER 195 195 34758 1 . ALA 196 196 34758 1 . GLY 197 197 34758 1 . GLY 198 198 34758 1 . SER 199 199 34758 1 . PHE 200 200 34758 1 . THR 201 201 34758 1 . VAL 202 202 34758 1 . ARG 203 203 34758 1 . THR 204 204 34758 1 . ASP 205 205 34758 1 . THR 206 206 34758 1 . GLY 207 207 34758 1 . GLU 208 208 34758 1 . PRO 209 209 34758 1 . MET 210 210 34758 1 . GLY 211 211 34758 1 . ARG 212 212 34758 1 . GLY 213 213 34758 1 . THR 214 214 34758 1 . LYS 215 215 34758 1 . VAL 216 216 34758 1 . ILE 217 217 34758 1 . LEU 218 218 34758 1 . HIS 219 219 34758 1 . LEU 220 220 34758 1 . LYS 221 221 34758 1 . GLU 222 222 34758 1 . ASP 223 223 34758 1 . GLN 224 224 34758 1 . THR 225 225 34758 1 . GLU 226 226 34758 1 . TYR 227 227 34758 1 . LEU 228 228 34758 1 . GLU 229 229 34758 1 . GLU 230 230 34758 1 . ARG 231 231 34758 1 . ARG 232 232 34758 1 . ILE 233 233 34758 1 . LYS 234 234 34758 1 . GLU 235 235 34758 1 . ILE 236 236 34758 1 . VAL 237 237 34758 1 . LYS 238 238 34758 1 . LYS 239 239 34758 1 . HIS 240 240 34758 1 . SER 241 241 34758 1 . GLN 242 242 34758 1 . PHE 243 243 34758 1 . ILE 244 244 34758 1 . GLY 245 245 34758 1 . TYR 246 246 34758 1 . PRO 247 247 34758 1 . ILE 248 248 34758 1 . THR 249 249 34758 1 . LEU 250 250 34758 1 . PHE 251 251 34758 1 . VAL 252 252 34758 1 . GLU 253 253 34758 1 . LYS 254 254 34758 1 . GLU 255 255 34758 1 . ARG 256 256 34758 1 . ASP 257 257 34758 1 . LYS 258 258 34758 1 . GLU 259 259 34758 1 . VAL 260 260 34758 1 . SER 261 261 34758 1 . ASP 262 262 34758 1 . ASP 263 263 34758 1 . GLU 264 264 34758 1 . ALA 265 265 34758 1 . GLU 266 266 34758 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 34758 _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 . 34758 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 34758 _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 . . . 34758 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34758 _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 . . . . 34758 1 2 Na+ 'natural abundance' . . . . . . 150 . . mM . . . . 34758 1 3 Cl- 'natural abundance' . . . . . . 150 . . mM . . . . 34758 1 4 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 34758 1 5 HEPES [U-2H] . . . . . . 20 . . mM . . . . 34758 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34758 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.5 mM [U-2; U-15N; 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-2; U-15N; 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 . . . . 34758 2 2 Na+ 'natural abundance' . . . . . . 150 . . mM . . . . 34758 2 3 Cl- 'natural abundance' . . . . . . 150 . . mM . . . . 34758 2 4 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 34758 2 5 HEPES [U-2H] . . . . . . 20 . . mM . . . . 34758 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 34758 _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 . . . . 34758 3 2 Na+ 'natural abundance' . . . . . . 150 . . mM . . . . 34758 3 3 Cl- 'natural abundance' . . . . . . 150 . . mM . . . . 34758 3 4 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 34758 3 5 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 34758 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 34758 _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 34758 1 pH 7.5 . pH 34758 1 pressure 1 . bar 34758 1 temperature 293 . K 34758 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34758 _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' . . 34758 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34758 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34758 _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' . . 34758 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34758 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34758 _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 . . 34758 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34758 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34758 _Software.ID 4 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 34758 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 34758 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34758 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details '5 mm Cryogenic Probe 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 34758 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details '5 mm Cryogenic Probe 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 34758 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name . _NMR_spectrometer.Details '5 mm Cryogenic Probe 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 34758 _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 . . . 34758 1 2 NMR_spectrometer_2 Bruker 'AVANCE III HD' . 850 . . . 34758 1 3 NMR_spectrometer_3 Bruker 'AVANCE III HD' . 600 . . . 34758 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 34758 _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 . . . . . . . . . . . . . . . . . 34758 1 2 '3D HCC-COSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 34758 1 3 '2D Methyl-TROSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34758 1 4 '3D HCC-COSY' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 34758 1 5 '3D HC(C)C-COSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 34758 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 34758 _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 'methylene carbons' . . . . ppm 0.000 na indirect 0.251449530 . . . . . 34758 1 H 1 DSS protons . . . . ppm 0.000 na direct 1.0 . . . . . 34758 1 N 15 DSS nitrogen . . . . ppm 0.000 na indirect 0.101329118 . . . . . 34758 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 34758 _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' . . . 34758 1 2 '3D HCC-COSY' . . . 34758 1 3 '2D Methyl-TROSY' . . . 34758 1 4 '3D HCC-COSY' . . . 34758 1 5 '3D HC(C)C-COSY' . . . 34758 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 . 34758 1 2 . 1 . 1 42 42 MET HE2 H 1 2.12 0.05 . 1 . . . . A 12 MET HE2 . 34758 1 3 . 1 . 1 42 42 MET HE3 H 1 2.12 0.05 . 1 . . . . A 12 MET HE3 . 34758 1 4 . 1 . 1 42 42 MET CE C 13 17.03 0.05 . 1 . . . . A 12 MET CE . 34758 1 5 . 1 . 1 47 47 VAL H H 1 8.06 0.05 . 1 . . . . A 17 VAL H . 34758 1 6 . 1 . 1 47 47 VAL HG21 H 1 0.89 0.05 . 1 . . . . A 17 VAL HG21 . 34758 1 7 . 1 . 1 47 47 VAL HG22 H 1 0.89 0.05 . 1 . . . . A 17 VAL HG22 . 34758 1 8 . 1 . 1 47 47 VAL HG23 H 1 0.89 0.05 . 1 . . . . A 17 VAL HG23 . 34758 1 9 . 1 . 1 47 47 VAL C C 13 175.44 0.05 . 1 . . . . A 17 VAL C . 34758 1 10 . 1 . 1 47 47 VAL CA C 13 61.8 0.05 . 1 . . . . A 17 VAL CA . 34758 1 11 . 1 . 1 47 47 VAL CB C 13 34.0 0.05 . 1 . . . . A 17 VAL CB . 34758 1 12 . 1 . 1 47 47 VAL CG2 C 13 21.07 0.05 . 1 . . . . A 17 VAL CG2 . 34758 1 13 . 1 . 1 47 47 VAL N N 15 120.81 0.05 . 1 . . . . A 17 VAL N . 34758 1 14 . 1 . 1 48 48 GLU H H 1 8.49 0.05 . 1 . . . . A 18 GLU H . 34758 1 15 . 1 . 1 48 48 GLU C C 13 174.71 0.05 . 1 . . . . A 18 GLU C . 34758 1 16 . 1 . 1 48 48 GLU CA C 13 55.98 0.05 . 1 . . . . A 18 GLU CA . 34758 1 17 . 1 . 1 48 48 GLU CB C 13 33.46 0.05 . 1 . . . . A 18 GLU CB . 34758 1 18 . 1 . 1 48 48 GLU N N 15 126.19 0.05 . 1 . . . . A 18 GLU N . 34758 1 19 . 1 . 1 49 49 THR H H 1 7.98 0.05 . 1 . . . . A 19 THR H . 34758 1 20 . 1 . 1 49 49 THR HG21 H 1 0.92 0.05 . 1 . . . . A 19 THR HG21 . 34758 1 21 . 1 . 1 49 49 THR HG22 H 1 0.92 0.05 . 1 . . . . A 19 THR HG22 . 34758 1 22 . 1 . 1 49 49 THR HG23 H 1 0.92 0.05 . 1 . . . . A 19 THR HG23 . 34758 1 23 . 1 . 1 49 49 THR C C 13 173.13 0.05 . 1 . . . . A 19 THR C . 34758 1 24 . 1 . 1 49 49 THR CA C 13 62.09 0.05 . 1 . . . . A 19 THR CA . 34758 1 25 . 1 . 1 49 49 THR CB C 13 69.98 0.05 . 1 . . . . A 19 THR CB . 34758 1 26 . 1 . 1 49 49 THR CG2 C 13 21.10 0.05 . 1 . . . . A 19 THR CG2 . 34758 1 27 . 1 . 1 49 49 THR N N 15 118.40 0.05 . 1 . . . . A 19 THR N . 34758 1 28 . 1 . 1 50 50 PHE H H 1 8.73 0.05 . 1 . . . . A 20 PHE H . 34758 1 29 . 1 . 1 50 50 PHE C C 13 173.86 0.05 . 1 . . . . A 20 PHE C . 34758 1 30 . 1 . 1 50 50 PHE CA C 13 56.09 0.05 . 1 . . . . A 20 PHE CA . 34758 1 31 . 1 . 1 50 50 PHE CB C 13 42.29 0.05 . 1 . . . . A 20 PHE CB . 34758 1 32 . 1 . 1 50 50 PHE N N 15 125.12 0.05 . 1 . . . . A 20 PHE N . 34758 1 33 . 1 . 1 51 51 ALA H H 1 8.29 0.05 . 1 . . . . A 21 ALA H . 34758 1 34 . 1 . 1 51 51 ALA HB1 H 1 1.36 0.05 . 1 . . . . A 21 ALA HB1 . 34758 1 35 . 1 . 1 51 51 ALA HB2 H 1 1.36 0.05 . 1 . . . . A 21 ALA HB2 . 34758 1 36 . 1 . 1 51 51 ALA HB3 H 1 1.36 0.05 . 1 . . . . A 21 ALA HB3 . 34758 1 37 . 1 . 1 51 51 ALA C C 13 179.41 0.05 . 1 . . . . A 21 ALA C . 34758 1 38 . 1 . 1 51 51 ALA CA C 13 50.91 0.05 . 1 . . . . A 21 ALA CA . 34758 1 39 . 1 . 1 51 51 ALA CB C 13 19.64 0.05 . 1 . . . . A 21 ALA CB . 34758 1 40 . 1 . 1 51 51 ALA N N 15 122.23 0.05 . 1 . . . . A 21 ALA N . 34758 1 41 . 1 . 1 52 52 PHE H H 1 7.71 0.05 . 1 . . . . A 22 PHE H . 34758 1 42 . 1 . 1 52 52 PHE C C 13 177.60 0.05 . 1 . . . . A 22 PHE C . 34758 1 43 . 1 . 1 52 52 PHE CA C 13 60.04 0.05 . 1 . . . . A 22 PHE CA . 34758 1 44 . 1 . 1 52 52 PHE CB C 13 40.69 0.05 . 1 . . . . A 22 PHE CB . 34758 1 45 . 1 . 1 52 52 PHE N N 15 118.47 0.05 . 1 . . . . A 22 PHE N . 34758 1 46 . 1 . 1 53 53 GLN H H 1 8.80 0.05 . 1 . . . . A 23 GLN H . 34758 1 47 . 1 . 1 53 53 GLN C C 13 178.13 0.05 . 1 . . . . A 23 GLN C . 34758 1 48 . 1 . 1 53 53 GLN CA C 13 57.87 0.05 . 1 . . . . A 23 GLN CA . 34758 1 49 . 1 . 1 53 53 GLN CB C 13 27.28 0.05 . 1 . . . . A 23 GLN CB . 34758 1 50 . 1 . 1 53 53 GLN N N 15 123.38 0.05 . 1 . . . . A 23 GLN N . 34758 1 51 . 1 . 1 54 54 ALA H H 1 8.88 0.05 . 1 . . . . A 24 ALA H . 34758 1 52 . 1 . 1 54 54 ALA HB1 H 1 1.49 0.05 . 1 . . . . A 24 ALA HB1 . 34758 1 53 . 1 . 1 54 54 ALA HB2 H 1 1.49 0.05 . 1 . . . . A 24 ALA HB2 . 34758 1 54 . 1 . 1 54 54 ALA HB3 H 1 1.49 0.05 . 1 . . . . A 24 ALA HB3 . 34758 1 55 . 1 . 1 54 54 ALA C C 13 180.36 0.05 . 1 . . . . A 24 ALA C . 34758 1 56 . 1 . 1 54 54 ALA CA C 13 56.96 0.05 . 1 . . . . A 24 ALA CA . 34758 1 57 . 1 . 1 54 54 ALA CB C 13 19.07 0.05 . 1 . . . . A 24 ALA CB . 34758 1 58 . 1 . 1 54 54 ALA N N 15 126.66 0.05 . 1 . . . . A 24 ALA N . 34758 1 59 . 1 . 1 56 56 ILE HD11 H 1 0.90 0.05 . 1 . . . . A 26 ILE HD11 . 34758 1 60 . 1 . 1 56 56 ILE HD12 H 1 0.90 0.05 . 1 . . . . A 26 ILE HD12 . 34758 1 61 . 1 . 1 56 56 ILE HD13 H 1 0.90 0.05 . 1 . . . . A 26 ILE HD13 . 34758 1 62 . 1 . 1 56 56 ILE CB C 13 36.91 0.05 . 1 . . . . A 26 ILE CB . 34758 1 63 . 1 . 1 56 56 ILE CD1 C 13 11.88 0.05 . 1 . . . . A 26 ILE CD1 . 34758 1 64 . 1 . 1 57 57 ALA HB1 H 1 1.48 0.05 . 1 . . . . A 27 ALA HB1 . 34758 1 65 . 1 . 1 57 57 ALA HB2 H 1 1.48 0.05 . 1 . . . . A 27 ALA HB2 . 34758 1 66 . 1 . 1 57 57 ALA HB3 H 1 1.48 0.05 . 1 . . . . A 27 ALA HB3 . 34758 1 67 . 1 . 1 57 57 ALA CA C 13 55.62 0.05 . 1 . . . . A 27 ALA CA . 34758 1 68 . 1 . 1 57 57 ALA CB C 13 17.56 0.05 . 1 . . . . A 27 ALA CB . 34758 1 69 . 1 . 1 58 58 GLN C C 13 178.77 0.05 . 1 . . . . A 28 GLN C . 34758 1 70 . 1 . 1 58 58 GLN CA C 13 59.09 0.05 . 1 . . . . A 28 GLN CA . 34758 1 71 . 1 . 1 58 58 GLN CB C 13 28.37 0.05 . 1 . . . . A 28 GLN CB . 34758 1 72 . 1 . 1 59 59 LEU H H 1 8.13 0.05 . 1 . . . . A 29 LEU H . 34758 1 73 . 1 . 1 59 59 LEU HD21 H 1 0.88 0.05 . 1 . . . . A 29 LEU HD21 . 34758 1 74 . 1 . 1 59 59 LEU HD22 H 1 0.88 0.05 . 1 . . . . A 29 LEU HD22 . 34758 1 75 . 1 . 1 59 59 LEU HD23 H 1 0.88 0.05 . 1 . . . . A 29 LEU HD23 . 34758 1 76 . 1 . 1 59 59 LEU C C 13 178.42 0.05 . 1 . . . . A 29 LEU C . 34758 1 77 . 1 . 1 59 59 LEU CA C 13 58.43 0.05 . 1 . . . . A 29 LEU CA . 34758 1 78 . 1 . 1 59 59 LEU CB C 13 41.13 0.05 . 1 . . . . A 29 LEU CB . 34758 1 79 . 1 . 1 59 59 LEU CD2 C 13 26.65 0.05 . 1 . . . . A 29 LEU CD2 . 34758 1 80 . 1 . 1 59 59 LEU N N 15 123.17 0.05 . 1 . . . . A 29 LEU N . 34758 1 81 . 1 . 1 60 60 MET H H 1 8.37 0.05 . 1 . . . . A 30 MET H . 34758 1 82 . 1 . 1 60 60 MET HE1 H 1 1.43 0.05 . 1 . . . . A 30 MET HE1 . 34758 1 83 . 1 . 1 60 60 MET HE2 H 1 1.43 0.05 . 1 . . . . A 30 MET HE2 . 34758 1 84 . 1 . 1 60 60 MET HE3 H 1 1.43 0.05 . 1 . . . . A 30 MET HE3 . 34758 1 85 . 1 . 1 60 60 MET C C 13 177.24 0.05 . 1 . . . . A 30 MET C . 34758 1 86 . 1 . 1 60 60 MET CA C 13 60.79 0.05 . 1 . . . . A 30 MET CA . 34758 1 87 . 1 . 1 60 60 MET CB C 13 33.65 0.05 . 1 . . . . A 30 MET CB . 34758 1 88 . 1 . 1 60 60 MET CE C 13 17.03 0.05 . 1 . . . . A 30 MET CE . 34758 1 89 . 1 . 1 60 60 MET N N 15 116.70 0.05 . 1 . . . . A 30 MET N . 34758 1 90 . 1 . 1 61 61 SER H H 1 7.66 0.05 . 1 . . . . A 31 SER H . 34758 1 91 . 1 . 1 61 61 SER CA C 13 61.67 0.05 . 1 . . . . A 31 SER CA . 34758 1 92 . 1 . 1 61 61 SER CB C 13 62.85 0.05 . 1 . . . . A 31 SER CB . 34758 1 93 . 1 . 1 61 61 SER N N 15 111.70 0.05 . 1 . . . . A 31 SER N . 34758 1 94 . 1 . 1 62 62 LEU H H 1 7.85 0.05 . 1 . . . . A 32 LEU H . 34758 1 95 . 1 . 1 62 62 LEU HD21 H 1 0.79 0.05 . 1 . . . . A 32 LEU HD21 . 34758 1 96 . 1 . 1 62 62 LEU HD22 H 1 0.79 0.05 . 1 . . . . A 32 LEU HD22 . 34758 1 97 . 1 . 1 62 62 LEU HD23 H 1 0.79 0.05 . 1 . . . . A 32 LEU HD23 . 34758 1 98 . 1 . 1 62 62 LEU C C 13 180.19 0.05 . 1 . . . . A 32 LEU C . 34758 1 99 . 1 . 1 62 62 LEU CA C 13 58.36 0.05 . 1 . . . . A 32 LEU CA . 34758 1 100 . 1 . 1 62 62 LEU CB C 13 42.31 0.05 . 1 . . . . A 32 LEU CB . 34758 1 101 . 1 . 1 62 62 LEU CD2 C 13 24.84 0.05 . 1 . . . . A 32 LEU CD2 . 34758 1 102 . 1 . 1 62 62 LEU N N 15 121.93 0.05 . 1 . . . . A 32 LEU N . 34758 1 103 . 1 . 1 63 63 ILE HD11 H 1 0.65 0.05 . 1 . . . . A 33 ILE HD11 . 34758 1 104 . 1 . 1 63 63 ILE HD12 H 1 0.65 0.05 . 1 . . . . A 33 ILE HD12 . 34758 1 105 . 1 . 1 63 63 ILE HD13 H 1 0.65 0.05 . 1 . . . . A 33 ILE HD13 . 34758 1 106 . 1 . 1 63 63 ILE C C 13 176.9 0.05 . 1 . . . . A 33 ILE C . 34758 1 107 . 1 . 1 63 63 ILE CA C 13 65.27 0.05 . 1 . . . . A 33 ILE CA . 34758 1 108 . 1 . 1 63 63 ILE CB C 13 38.18 0.05 . 1 . . . . A 33 ILE CB . 34758 1 109 . 1 . 1 63 63 ILE CD1 C 13 13.65 0.05 . 1 . . . . A 33 ILE CD1 . 34758 1 110 . 1 . 1 64 64 ILE H H 1 8.16 0.05 . 1 . . . . A 34 ILE H . 34758 1 111 . 1 . 1 64 64 ILE HD11 H 1 0.84 0.05 . 1 . . . . A 34 ILE HD11 . 34758 1 112 . 1 . 1 64 64 ILE HD12 H 1 0.84 0.05 . 1 . . . . A 34 ILE HD12 . 34758 1 113 . 1 . 1 64 64 ILE HD13 H 1 0.84 0.05 . 1 . . . . A 34 ILE HD13 . 34758 1 114 . 1 . 1 64 64 ILE C C 13 177.91 0.05 . 1 . . . . A 34 ILE C . 34758 1 115 . 1 . 1 64 64 ILE CA C 13 64.86 0.05 . 1 . . . . A 34 ILE CA . 34758 1 116 . 1 . 1 64 64 ILE CB C 13 39.29 0.05 . 1 . . . . A 34 ILE CB . 34758 1 117 . 1 . 1 64 64 ILE CD1 C 13 14.41 0.05 . 1 . . . . A 34 ILE CD1 . 34758 1 118 . 1 . 1 64 64 ILE N N 15 116.52 0.05 . 1 . . . . A 34 ILE N . 34758 1 119 . 1 . 1 65 65 ASN H H 1 7.72 0.05 . 1 . . . . A 35 ASN H . 34758 1 120 . 1 . 1 65 65 ASN C C 13 175.37 0.05 . 1 . . . . A 35 ASN C . 34758 1 121 . 1 . 1 65 65 ASN CA C 13 54.51 0.05 . 1 . . . . A 35 ASN CA . 34758 1 122 . 1 . 1 65 65 ASN CB C 13 40.35 0.05 . 1 . . . . A 35 ASN CB . 34758 1 123 . 1 . 1 65 65 ASN N N 15 114.45 0.05 . 1 . . . . A 35 ASN N . 34758 1 124 . 1 . 1 66 66 THR H H 1 7.35 0.05 . 1 . . . . A 36 THR H . 34758 1 125 . 1 . 1 66 66 THR HG21 H 1 1.00 0.05 . 1 . . . . A 36 THR HG21 . 34758 1 126 . 1 . 1 66 66 THR HG22 H 1 1.00 0.05 . 1 . . . . A 36 THR HG22 . 34758 1 127 . 1 . 1 66 66 THR HG23 H 1 1.00 0.05 . 1 . . . . A 36 THR HG23 . 34758 1 128 . 1 . 1 66 66 THR C C 13 173.06 0.05 . 1 . . . . A 36 THR C . 34758 1 129 . 1 . 1 66 66 THR CA C 13 63.00 0.05 . 1 . . . . A 36 THR CA . 34758 1 130 . 1 . 1 66 66 THR CB C 13 69.87 0.05 . 1 . . . . A 36 THR CB . 34758 1 131 . 1 . 1 66 66 THR CG2 C 13 20.89 0.05 . 1 . . . . A 36 THR CG2 . 34758 1 132 . 1 . 1 66 66 THR N N 15 116.71 0.05 . 1 . . . . A 36 THR N . 34758 1 133 . 1 . 1 70 70 ASN C C 13 174.97 0.05 . 1 . . . . A 40 ASN C . 34758 1 134 . 1 . 1 70 70 ASN CA C 13 52.35 0.05 . 1 . . . . A 40 ASN CA . 34758 1 135 . 1 . 1 70 70 ASN CB C 13 37.61 0.05 . 1 . . . . A 40 ASN CB . 34758 1 136 . 1 . 1 71 71 LYS H H 1 7.93 0.05 . 1 . . . . A 41 LYS H . 34758 1 137 . 1 . 1 71 71 LYS C C 13 177.20 0.05 . 1 . . . . A 41 LYS C . 34758 1 138 . 1 . 1 71 71 LYS CA C 13 59.45 0.05 . 1 . . . . A 41 LYS CA . 34758 1 139 . 1 . 1 71 71 LYS CB C 13 32.97 0.05 . 1 . . . . A 41 LYS CB . 34758 1 140 . 1 . 1 71 71 LYS N N 15 117.13 0.05 . 1 . . . . A 41 LYS N . 34758 1 141 . 1 . 1 72 72 GLU H H 1 8.43 0.05 . 1 . . . . A 42 GLU H . 34758 1 142 . 1 . 1 72 72 GLU C C 13 175.71 0.05 . 1 . . . . A 42 GLU C . 34758 1 143 . 1 . 1 72 72 GLU CA C 13 58.48 0.05 . 1 . . . . A 42 GLU CA . 34758 1 144 . 1 . 1 72 72 GLU CB C 13 29.33 0.05 . 1 . . . . A 42 GLU CB . 34758 1 145 . 1 . 1 72 72 GLU N N 15 114.36 0.05 . 1 . . . . A 42 GLU N . 34758 1 146 . 1 . 1 73 73 ILE H H 1 6.90 0.05 . 1 . . . . A 43 ILE H . 34758 1 147 . 1 . 1 73 73 ILE HD11 H 1 0.70 0.05 . 1 . . . . A 43 ILE HD11 . 34758 1 148 . 1 . 1 73 73 ILE HD12 H 1 0.70 0.05 . 1 . . . . A 43 ILE HD12 . 34758 1 149 . 1 . 1 73 73 ILE HD13 H 1 0.70 0.05 . 1 . . . . A 43 ILE HD13 . 34758 1 150 . 1 . 1 73 73 ILE C C 13 176.69 0.05 . 1 . . . . A 43 ILE C . 34758 1 151 . 1 . 1 73 73 ILE CA C 13 62.64 0.05 . 1 . . . . A 43 ILE CA . 34758 1 152 . 1 . 1 73 73 ILE CB C 13 38.52 0.05 . 1 . . . . A 43 ILE CB . 34758 1 153 . 1 . 1 73 73 ILE CD1 C 13 15.43 0.05 . 1 . . . . A 43 ILE CD1 . 34758 1 154 . 1 . 1 73 73 ILE N N 15 112.39 0.05 . 1 . . . . A 43 ILE N . 34758 1 155 . 1 . 1 74 74 PHE H H 1 7.99 0.05 . 1 . . . . A 44 PHE H . 34758 1 156 . 1 . 1 74 74 PHE C C 13 176.21 0.05 . 1 . . . . A 44 PHE C . 34758 1 157 . 1 . 1 74 74 PHE CA C 13 59.63 0.05 . 1 . . . . A 44 PHE CA . 34758 1 158 . 1 . 1 74 74 PHE N N 15 120.28 0.05 . 1 . . . . A 44 PHE N . 34758 1 159 . 1 . 1 75 75 LEU HD21 H 1 0.72 0.05 . 1 . . . . A 45 LEU HD21 . 34758 1 160 . 1 . 1 75 75 LEU HD22 H 1 0.72 0.05 . 1 . . . . A 45 LEU HD22 . 34758 1 161 . 1 . 1 75 75 LEU HD23 H 1 0.72 0.05 . 1 . . . . A 45 LEU HD23 . 34758 1 162 . 1 . 1 75 75 LEU C C 13 178.37 0.05 . 1 . . . . A 45 LEU C . 34758 1 163 . 1 . 1 75 75 LEU CA C 13 56.59 0.05 . 1 . . . . A 45 LEU CA . 34758 1 164 . 1 . 1 75 75 LEU CB C 13 40.96 0.05 . 1 . . . . A 45 LEU CB . 34758 1 165 . 1 . 1 75 75 LEU CD2 C 13 25.95 0.05 . 1 . . . . A 45 LEU CD2 . 34758 1 166 . 1 . 1 76 76 ARG H H 1 6.49 0.05 . 1 . . . . A 46 ARG H . 34758 1 167 . 1 . 1 76 76 ARG C C 13 179.26 0.05 . 1 . . . . A 46 ARG C . 34758 1 168 . 1 . 1 76 76 ARG CA C 13 58.83 0.05 . 1 . . . . A 46 ARG CA . 34758 1 169 . 1 . 1 76 76 ARG CB C 13 29.46 0.05 . 1 . . . . A 46 ARG CB . 34758 1 170 . 1 . 1 76 76 ARG N N 15 117.34 0.05 . 1 . . . . A 46 ARG N . 34758 1 171 . 1 . 1 77 77 GLU H H 1 7.74 0.05 . 1 . . . . A 47 GLU H . 34758 1 172 . 1 . 1 77 77 GLU C C 13 179.60 0.05 . 1 . . . . A 47 GLU C . 34758 1 173 . 1 . 1 77 77 GLU CA C 13 58.42 0.05 . 1 . . . . A 47 GLU CA . 34758 1 174 . 1 . 1 77 77 GLU CB C 13 28.68 0.05 . 1 . . . . A 47 GLU CB . 34758 1 175 . 1 . 1 77 77 GLU N N 15 116.77 0.05 . 1 . . . . A 47 GLU N . 34758 1 176 . 1 . 1 78 78 LEU H H 1 7.91 0.05 . 1 . . . . A 48 LEU H . 34758 1 177 . 1 . 1 78 78 LEU HD21 H 1 0.92 0.05 . 1 . . . . A 48 LEU HD21 . 34758 1 178 . 1 . 1 78 78 LEU HD22 H 1 0.92 0.05 . 1 . . . . A 48 LEU HD22 . 34758 1 179 . 1 . 1 78 78 LEU HD23 H 1 0.92 0.05 . 1 . . . . A 48 LEU HD23 . 34758 1 180 . 1 . 1 78 78 LEU C C 13 180.16 0.05 . 1 . . . . A 48 LEU C . 34758 1 181 . 1 . 1 78 78 LEU CA C 13 58.16 0.05 . 1 . . . . A 48 LEU CA . 34758 1 182 . 1 . 1 78 78 LEU CB C 13 40.90 0.05 . 1 . . . . A 48 LEU CB . 34758 1 183 . 1 . 1 78 78 LEU CD2 C 13 22.94 0.05 . 1 . . . . A 48 LEU CD2 . 34758 1 184 . 1 . 1 78 78 LEU N N 15 119.39 0.05 . 1 . . . . A 48 LEU N . 34758 1 185 . 1 . 1 79 79 ILE H H 1 8.26 0.05 . 1 . . . . A 49 ILE H . 34758 1 186 . 1 . 1 79 79 ILE HD11 H 1 0.77 0.05 . 1 . . . . A 49 ILE HD11 . 34758 1 187 . 1 . 1 79 79 ILE HD12 H 1 0.77 0.05 . 1 . . . . A 49 ILE HD12 . 34758 1 188 . 1 . 1 79 79 ILE HD13 H 1 0.77 0.05 . 1 . . . . A 49 ILE HD13 . 34758 1 189 . 1 . 1 79 79 ILE C C 13 178.06 0.05 . 1 . . . . A 49 ILE C . 34758 1 190 . 1 . 1 79 79 ILE CA C 13 66.51 0.05 . 1 . . . . A 49 ILE CA . 34758 1 191 . 1 . 1 79 79 ILE CB C 13 37.47 0.05 . 1 . . . . A 49 ILE CB . 34758 1 192 . 1 . 1 79 79 ILE CD1 C 13 14.16 0.05 . 1 . . . . A 49 ILE CD1 . 34758 1 193 . 1 . 1 79 79 ILE N N 15 119.92 0.05 . 1 . . . . A 49 ILE N . 34758 1 194 . 1 . 1 80 80 SER H H 1 8.27 0.05 . 1 . . . . A 50 SER H . 34758 1 195 . 1 . 1 80 80 SER CA C 13 62.35 0.05 . 1 . . . . A 50 SER CA . 34758 1 196 . 1 . 1 80 80 SER N N 15 116.75 0.05 . 1 . . . . A 50 SER N . 34758 1 197 . 1 . 1 82 82 SER C C 13 175.57 0.05 . 1 . . . . A 52 SER C . 34758 1 198 . 1 . 1 82 82 SER CA C 13 63.75 0.05 . 1 . . . . A 52 SER CA . 34758 1 199 . 1 . 1 82 82 SER CB C 13 63.31 0.05 . 1 . . . . A 52 SER CB . 34758 1 200 . 1 . 1 83 83 SER H H 1 8.59 0.05 . 1 . . . . A 53 SER H . 34758 1 201 . 1 . 1 83 83 SER C C 13 176.72 0.05 . 1 . . . . A 53 SER C . 34758 1 202 . 1 . 1 83 83 SER CA C 13 61.86 0.05 . 1 . . . . A 53 SER CA . 34758 1 203 . 1 . 1 83 83 SER CB C 13 63.30 0.05 . 1 . . . . A 53 SER CB . 34758 1 204 . 1 . 1 83 83 SER N N 15 115.93 0.05 . 1 . . . . A 53 SER N . 34758 1 205 . 1 . 1 84 84 ASP H H 1 8.21 0.05 . 1 . . . . A 54 ASP H . 34758 1 206 . 1 . 1 84 84 ASP C C 13 178.73 0.05 . 1 . . . . A 54 ASP C . 34758 1 207 . 1 . 1 84 84 ASP CA C 13 57.69 0.05 . 1 . . . . A 54 ASP CA . 34758 1 208 . 1 . 1 84 84 ASP CB C 13 40.49 0.05 . 1 . . . . A 54 ASP CB . 34758 1 209 . 1 . 1 84 84 ASP N N 15 119.49 0.05 . 1 . . . . A 54 ASP N . 34758 1 210 . 1 . 1 85 85 ALA H H 1 7.87 0.05 . 1 . . . . A 55 ALA H . 34758 1 211 . 1 . 1 85 85 ALA HB1 H 1 1.70 0.05 . 1 . . . . A 55 ALA HB1 . 34758 1 212 . 1 . 1 85 85 ALA HB2 H 1 1.70 0.05 . 1 . . . . A 55 ALA HB2 . 34758 1 213 . 1 . 1 85 85 ALA HB3 H 1 1.70 0.05 . 1 . . . . A 55 ALA HB3 . 34758 1 214 . 1 . 1 85 85 ALA C C 13 180.20 0.05 . 1 . . . . A 55 ALA C . 34758 1 215 . 1 . 1 85 85 ALA CA C 13 55.44 0.05 . 1 . . . . A 55 ALA CA . 34758 1 216 . 1 . 1 85 85 ALA CB C 13 19.14 0.05 . 1 . . . . A 55 ALA CB . 34758 1 217 . 1 . 1 85 85 ALA N N 15 122.95 0.05 . 1 . . . . A 55 ALA N . 34758 1 218 . 1 . 1 86 86 LEU H H 1 8.49 0.05 . 1 . . . . A 56 LEU H . 34758 1 219 . 1 . 1 86 86 LEU HD21 H 1 0.41 0.05 . 1 . . . . A 56 LEU HD21 . 34758 1 220 . 1 . 1 86 86 LEU HD22 H 1 0.41 0.05 . 1 . . . . A 56 LEU HD22 . 34758 1 221 . 1 . 1 86 86 LEU HD23 H 1 0.41 0.05 . 1 . . . . A 56 LEU HD23 . 34758 1 222 . 1 . 1 86 86 LEU C C 13 178.12 0.05 . 1 . . . . A 56 LEU C . 34758 1 223 . 1 . 1 86 86 LEU CA C 13 57.81 0.05 . 1 . . . . A 56 LEU CA . 34758 1 224 . 1 . 1 86 86 LEU CB C 13 40.98 0.05 . 1 . . . . A 56 LEU CB . 34758 1 225 . 1 . 1 86 86 LEU CD2 C 13 26.45 0.05 . 1 . . . . A 56 LEU CD2 . 34758 1 226 . 1 . 1 86 86 LEU N N 15 124.43 0.05 . 1 . . . . A 56 LEU N . 34758 1 227 . 1 . 1 87 87 ASP H H 1 8.84 0.05 . 1 . . . . A 57 ASP H . 34758 1 228 . 1 . 1 87 87 ASP C C 13 179.21 0.05 . 1 . . . . A 57 ASP C . 34758 1 229 . 1 . 1 87 87 ASP CA C 13 57.29 0.05 . 1 . . . . A 57 ASP CA . 34758 1 230 . 1 . 1 87 87 ASP CB C 13 39.87 0.05 . 1 . . . . A 57 ASP CB . 34758 1 231 . 1 . 1 87 87 ASP N N 15 119.67 0.05 . 1 . . . . A 57 ASP N . 34758 1 232 . 1 . 1 88 88 LYS H H 1 7.79 0.05 . 1 . . . . A 58 LYS H . 34758 1 233 . 1 . 1 88 88 LYS C C 13 179.87 0.05 . 1 . . . . A 58 LYS C . 34758 1 234 . 1 . 1 88 88 LYS CA C 13 60.51 0.05 . 1 . . . . A 58 LYS CA . 34758 1 235 . 1 . 1 88 88 LYS CB C 13 33.04 0.05 . 1 . . . . A 58 LYS CB . 34758 1 236 . 1 . 1 88 88 LYS N N 15 117.26 0.05 . 1 . . . . A 58 LYS N . 34758 1 237 . 1 . 1 89 89 ILE H H 1 7.39 0.05 . 1 . . . . A 59 ILE H . 34758 1 238 . 1 . 1 89 89 ILE HD11 H 1 0.88 0.05 . 1 . . . . A 59 ILE HD11 . 34758 1 239 . 1 . 1 89 89 ILE HD12 H 1 0.88 0.05 . 1 . . . . A 59 ILE HD12 . 34758 1 240 . 1 . 1 89 89 ILE HD13 H 1 0.88 0.05 . 1 . . . . A 59 ILE HD13 . 34758 1 241 . 1 . 1 89 89 ILE C C 13 176.41 0.05 . 1 . . . . A 59 ILE C . 34758 1 242 . 1 . 1 89 89 ILE CA C 13 60.50 0.05 . 1 . . . . A 59 ILE CA . 34758 1 243 . 1 . 1 89 89 ILE CB C 13 38.54 0.05 . 1 . . . . A 59 ILE CB . 34758 1 244 . 1 . 1 89 89 ILE CD1 C 13 14.62 0.05 . 1 . . . . A 59 ILE CD1 . 34758 1 245 . 1 . 1 89 89 ILE N N 15 116.92 0.05 . 1 . . . . A 59 ILE N . 34758 1 246 . 1 . 1 90 90 ARG H H 1 8.60 0.05 . 1 . . . . A 60 ARG H . 34758 1 247 . 1 . 1 90 90 ARG C C 13 179.93 0.05 . 1 . . . . A 60 ARG C . 34758 1 248 . 1 . 1 90 90 ARG CA C 13 60.31 0.05 . 1 . . . . A 60 ARG CA . 34758 1 249 . 1 . 1 90 90 ARG CB C 13 30.30 0.05 . 1 . . . . A 60 ARG CB . 34758 1 250 . 1 . 1 90 90 ARG N N 15 126.88 0.05 . 1 . . . . A 60 ARG N . 34758 1 251 . 1 . 1 91 91 TYR H H 1 8.71 0.05 . 1 . . . . A 61 TYR H . 34758 1 252 . 1 . 1 91 91 TYR C C 13 180.01 0.05 . 1 . . . . A 61 TYR C . 34758 1 253 . 1 . 1 91 91 TYR CA C 13 61.23 0.05 . 1 . . . . A 61 TYR CA . 34758 1 254 . 1 . 1 91 91 TYR CB C 13 37.54 0.05 . 1 . . . . A 61 TYR CB . 34758 1 255 . 1 . 1 91 91 TYR N N 15 118.34 0.05 . 1 . . . . A 61 TYR N . 34758 1 256 . 1 . 1 92 92 GLU H H 1 8.12 0.05 . 1 . . . . A 62 GLU H . 34758 1 257 . 1 . 1 92 92 GLU C C 13 180.09 0.05 . 1 . . . . A 62 GLU C . 34758 1 258 . 1 . 1 92 92 GLU CA C 13 60.41 0.05 . 1 . . . . A 62 GLU CA . 34758 1 259 . 1 . 1 92 92 GLU CB C 13 30.04 0.05 . 1 . . . . A 62 GLU CB . 34758 1 260 . 1 . 1 92 92 GLU N N 15 119.20 0.05 . 1 . . . . A 62 GLU N . 34758 1 261 . 1 . 1 93 93 THR CA C 13 60.30 0.05 . 1 . . . . A 63 THR CA . 34758 1 262 . 1 . 1 94 94 LEU H H 1 7.40 0.05 . 1 . . . . A 64 LEU H . 34758 1 263 . 1 . 1 94 94 LEU HD21 H 1 0.85 0.05 . 1 . . . . A 64 LEU HD21 . 34758 1 264 . 1 . 1 94 94 LEU HD22 H 1 0.85 0.05 . 1 . . . . A 64 LEU HD22 . 34758 1 265 . 1 . 1 94 94 LEU HD23 H 1 0.85 0.05 . 1 . . . . A 64 LEU HD23 . 34758 1 266 . 1 . 1 94 94 LEU C C 13 179.44 0.05 . 1 . . . . A 64 LEU C . 34758 1 267 . 1 . 1 94 94 LEU CA C 13 57.36 0.05 . 1 . . . . A 64 LEU CA . 34758 1 268 . 1 . 1 94 94 LEU CB C 13 41.75 0.05 . 1 . . . . A 64 LEU CB . 34758 1 269 . 1 . 1 94 94 LEU CD2 C 13 22.36 0.05 . 1 . . . . A 64 LEU CD2 . 34758 1 270 . 1 . 1 94 94 LEU N N 15 121.67 0.05 . 1 . . . . A 64 LEU N . 34758 1 271 . 1 . 1 95 95 THR H H 1 7.03 0.05 . 1 . . . . A 65 THR H . 34758 1 272 . 1 . 1 95 95 THR HG21 H 1 1.21 0.05 . 1 . . . . A 65 THR HG21 . 34758 1 273 . 1 . 1 95 95 THR HG22 H 1 1.21 0.05 . 1 . . . . A 65 THR HG22 . 34758 1 274 . 1 . 1 95 95 THR HG23 H 1 1.21 0.05 . 1 . . . . A 65 THR HG23 . 34758 1 275 . 1 . 1 95 95 THR C C 13 174.89 0.05 . 1 . . . . A 65 THR C . 34758 1 276 . 1 . 1 95 95 THR CA C 13 62.24 0.05 . 1 . . . . A 65 THR CA . 34758 1 277 . 1 . 1 95 95 THR CB C 13 69.72 0.05 . 1 . . . . A 65 THR CB . 34758 1 278 . 1 . 1 95 95 THR CG2 C 13 22.02 0.05 . 1 . . . . A 65 THR CG2 . 34758 1 279 . 1 . 1 95 95 THR N N 15 106.46 0.05 . 1 . . . . A 65 THR N . 34758 1 280 . 1 . 1 96 96 ASP H H 1 7.35 0.05 . 1 . . . . A 66 ASP H . 34758 1 281 . 1 . 1 96 96 ASP C C 13 173.69 0.05 . 1 . . . . A 66 ASP C . 34758 1 282 . 1 . 1 96 96 ASP CA C 13 51.42 0.05 . 1 . . . . A 66 ASP CA . 34758 1 283 . 1 . 1 96 96 ASP CB C 13 41.13 0.05 . 1 . . . . A 66 ASP CB . 34758 1 284 . 1 . 1 96 96 ASP N N 15 117.94 0.05 . 1 . . . . A 66 ASP N . 34758 1 285 . 1 . 1 97 97 PRO C C 13 179.27 0.05 . 1 . . . . A 67 PRO C . 34758 1 286 . 1 . 1 97 97 PRO CA C 13 64.89 0.05 . 1 . . . . A 67 PRO CA . 34758 1 287 . 1 . 1 97 97 PRO CB C 13 32.11 0.05 . 1 . . . . A 67 PRO CB . 34758 1 288 . 1 . 1 98 98 SER H H 1 8.09 0.05 . 1 . . . . A 68 SER H . 34758 1 289 . 1 . 1 98 98 SER C C 13 177.20 0.05 . 1 . . . . A 68 SER C . 34758 1 290 . 1 . 1 98 98 SER CA C 13 60.99 0.05 . 1 . . . . A 68 SER CA . 34758 1 291 . 1 . 1 98 98 SER CB C 13 62.97 0.05 . 1 . . . . A 68 SER CB . 34758 1 292 . 1 . 1 98 98 SER N N 15 115.05 0.05 . 1 . . . . A 68 SER N . 34758 1 293 . 1 . 1 99 99 LYS H H 1 7.88 0.05 . 1 . . . . A 69 LYS H . 34758 1 294 . 1 . 1 99 99 LYS C C 13 176.89 0.05 . 1 . . . . A 69 LYS C . 34758 1 295 . 1 . 1 99 99 LYS CA C 13 57.99 0.05 . 1 . . . . A 69 LYS CA . 34758 1 296 . 1 . 1 99 99 LYS CB C 13 32.60 0.05 . 1 . . . . A 69 LYS CB . 34758 1 297 . 1 . 1 99 99 LYS N N 15 123.15 0.05 . 1 . . . . A 69 LYS N . 34758 1 298 . 1 . 1 100 100 LEU H H 1 7.26 0.05 . 1 . . . . A 70 LEU H . 34758 1 299 . 1 . 1 100 100 LEU HD21 H 1 0.79 0.05 . 1 . . . . A 70 LEU HD21 . 34758 1 300 . 1 . 1 100 100 LEU HD22 H 1 0.79 0.05 . 1 . . . . A 70 LEU HD22 . 34758 1 301 . 1 . 1 100 100 LEU HD23 H 1 0.79 0.05 . 1 . . . . A 70 LEU HD23 . 34758 1 302 . 1 . 1 100 100 LEU C C 13 178.73 0.05 . 1 . . . . A 70 LEU C . 34758 1 303 . 1 . 1 100 100 LEU CA C 13 53.83 0.05 . 1 . . . . A 70 LEU CA . 34758 1 304 . 1 . 1 100 100 LEU CB C 13 40.79 0.05 . 1 . . . . A 70 LEU CB . 34758 1 305 . 1 . 1 100 100 LEU CD2 C 13 22.56 0.05 . 1 . . . . A 70 LEU CD2 . 34758 1 306 . 1 . 1 100 100 LEU N N 15 111.70 0.05 . 1 . . . . A 70 LEU N . 34758 1 307 . 1 . 1 101 101 ASP H H 1 8.04 0.05 . 1 . . . . A 71 ASP H . 34758 1 308 . 1 . 1 101 101 ASP C C 13 177.42 0.05 . 1 . . . . A 71 ASP C . 34758 1 309 . 1 . 1 101 101 ASP CA C 13 57.64 0.05 . 1 . . . . A 71 ASP CA . 34758 1 310 . 1 . 1 101 101 ASP CB C 13 39.47 0.05 . 1 . . . . A 71 ASP CB . 34758 1 311 . 1 . 1 101 101 ASP N N 15 123.38 0.05 . 1 . . . . A 71 ASP N . 34758 1 312 . 1 . 1 102 102 SER H H 1 7.48 0.05 . 1 . . . . A 72 SER H . 34758 1 313 . 1 . 1 102 102 SER C C 13 174.90 0.05 . 1 . . . . A 72 SER C . 34758 1 314 . 1 . 1 102 102 SER CA C 13 56.96 0.05 . 1 . . . . A 72 SER CA . 34758 1 315 . 1 . 1 102 102 SER CB C 13 62.40 0.05 . 1 . . . . A 72 SER CB . 34758 1 316 . 1 . 1 102 102 SER N N 15 108.99 0.05 . 1 . . . . A 72 SER N . 34758 1 317 . 1 . 1 103 103 GLY H H 1 7.69 0.05 . 1 . . . . A 73 GLY H . 34758 1 318 . 1 . 1 103 103 GLY C C 13 174.96 0.05 . 1 . . . . A 73 GLY C . 34758 1 319 . 1 . 1 103 103 GLY CA C 13 47.09 0.05 . 1 . . . . A 73 GLY CA . 34758 1 320 . 1 . 1 103 103 GLY N N 15 111.32 0.05 . 1 . . . . A 73 GLY N . 34758 1 321 . 1 . 1 104 104 LYS H H 1 8.90 0.05 . 1 . . . . A 74 LYS H . 34758 1 322 . 1 . 1 104 104 LYS C C 13 176.13 0.05 . 1 . . . . A 74 LYS C . 34758 1 323 . 1 . 1 104 104 LYS CA C 13 57.91 0.05 . 1 . . . . A 74 LYS CA . 34758 1 324 . 1 . 1 104 104 LYS CB C 13 33.50 0.05 . 1 . . . . A 74 LYS CB . 34758 1 325 . 1 . 1 104 104 LYS N N 15 127.03 0.05 . 1 . . . . A 74 LYS N . 34758 1 326 . 1 . 1 105 105 GLU H H 1 7.67 0.05 . 1 . . . . A 75 GLU H . 34758 1 327 . 1 . 1 105 105 GLU C C 13 177.25 0.05 . 1 . . . . A 75 GLU C . 34758 1 328 . 1 . 1 105 105 GLU CA C 13 56.74 0.05 . 1 . . . . A 75 GLU CA . 34758 1 329 . 1 . 1 105 105 GLU CB C 13 29.96 0.05 . 1 . . . . A 75 GLU CB . 34758 1 330 . 1 . 1 105 105 GLU N N 15 116.58 0.05 . 1 . . . . A 75 GLU N . 34758 1 331 . 1 . 1 106 106 LEU H H 1 8.68 0.05 . 1 . . . . A 76 LEU H . 34758 1 332 . 1 . 1 106 106 LEU HD21 H 1 0.59 0.05 . 1 . . . . A 76 LEU HD21 . 34758 1 333 . 1 . 1 106 106 LEU HD22 H 1 0.59 0.05 . 1 . . . . A 76 LEU HD22 . 34758 1 334 . 1 . 1 106 106 LEU HD23 H 1 0.59 0.05 . 1 . . . . A 76 LEU HD23 . 34758 1 335 . 1 . 1 106 106 LEU C C 13 173.87 0.05 . 1 . . . . A 76 LEU C . 34758 1 336 . 1 . 1 106 106 LEU CA C 13 54.03 0.05 . 1 . . . . A 76 LEU CA . 34758 1 337 . 1 . 1 106 106 LEU CB C 13 41.06 0.05 . 1 . . . . A 76 LEU CB . 34758 1 338 . 1 . 1 106 106 LEU CD2 C 13 24.05 0.05 . 1 . . . . A 76 LEU CD2 . 34758 1 339 . 1 . 1 106 106 LEU N N 15 127.19 0.05 . 1 . . . . A 76 LEU N . 34758 1 340 . 1 . 1 107 107 HIS H H 1 7.69 0.05 . 1 . . . . A 77 HIS H . 34758 1 341 . 1 . 1 107 107 HIS C C 13 172.61 0.05 . 1 . . . . A 77 HIS C . 34758 1 342 . 1 . 1 107 107 HIS CA C 13 54.65 0.05 . 1 . . . . A 77 HIS CA . 34758 1 343 . 1 . 1 107 107 HIS CB C 13 32.72 0.05 . 1 . . . . A 77 HIS CB . 34758 1 344 . 1 . 1 107 107 HIS N N 15 118.66 0.05 . 1 . . . . A 77 HIS N . 34758 1 345 . 1 . 1 108 108 ILE H H 1 8.22 0.05 . 1 . . . . A 78 ILE H . 34758 1 346 . 1 . 1 108 108 ILE HD11 H 1 0.77 0.05 . 1 . . . . A 78 ILE HD11 . 34758 1 347 . 1 . 1 108 108 ILE HD12 H 1 0.77 0.05 . 1 . . . . A 78 ILE HD12 . 34758 1 348 . 1 . 1 108 108 ILE HD13 H 1 0.77 0.05 . 1 . . . . A 78 ILE HD13 . 34758 1 349 . 1 . 1 108 108 ILE C C 13 175.01 0.05 . 1 . . . . A 78 ILE C . 34758 1 350 . 1 . 1 108 108 ILE CA C 13 60.68 0.05 . 1 . . . . A 78 ILE CA . 34758 1 351 . 1 . 1 108 108 ILE CB C 13 41.22 0.05 . 1 . . . . A 78 ILE CB . 34758 1 352 . 1 . 1 108 108 ILE CD1 C 13 14.96 0.05 . 1 . . . . A 78 ILE CD1 . 34758 1 353 . 1 . 1 108 108 ILE N N 15 117.66 0.05 . 1 . . . . A 78 ILE N . 34758 1 354 . 1 . 1 109 109 ASN H H 1 9.76 0.05 . 1 . . . . A 79 ASN H . 34758 1 355 . 1 . 1 109 109 ASN C C 13 173.62 0.05 . 1 . . . . A 79 ASN C . 34758 1 356 . 1 . 1 109 109 ASN CA C 13 51.14 0.05 . 1 . . . . A 79 ASN CA . 34758 1 357 . 1 . 1 109 109 ASN CB C 13 42.25 0.05 . 1 . . . . A 79 ASN CB . 34758 1 358 . 1 . 1 109 109 ASN N N 15 125.03 0.05 . 1 . . . . A 79 ASN N . 34758 1 359 . 1 . 1 110 110 LEU H H 1 9.04 0.05 . 1 . . . . A 80 LEU H . 34758 1 360 . 1 . 1 110 110 LEU HD21 H 1 0.85 0.05 . 1 . . . . A 80 LEU HD21 . 34758 1 361 . 1 . 1 110 110 LEU HD22 H 1 0.85 0.05 . 1 . . . . A 80 LEU HD22 . 34758 1 362 . 1 . 1 110 110 LEU HD23 H 1 0.85 0.05 . 1 . . . . A 80 LEU HD23 . 34758 1 363 . 1 . 1 110 110 LEU C C 13 176.34 0.05 . 1 . . . . A 80 LEU C . 34758 1 364 . 1 . 1 110 110 LEU CA C 13 53.44 0.05 . 1 . . . . A 80 LEU CA . 34758 1 365 . 1 . 1 110 110 LEU CB C 13 44.91 0.05 . 1 . . . . A 80 LEU CB . 34758 1 366 . 1 . 1 110 110 LEU CD2 C 13 25.88 0.05 . 1 . . . . A 80 LEU CD2 . 34758 1 367 . 1 . 1 110 110 LEU N N 15 121.99 0.05 . 1 . . . . A 80 LEU N . 34758 1 368 . 1 . 1 111 111 ILE H H 1 9.37 0.05 . 1 . . . . A 81 ILE H . 34758 1 369 . 1 . 1 111 111 ILE HD11 H 1 0.73 0.05 . 1 . . . . A 81 ILE HD11 . 34758 1 370 . 1 . 1 111 111 ILE HD12 H 1 0.73 0.05 . 1 . . . . A 81 ILE HD12 . 34758 1 371 . 1 . 1 111 111 ILE HD13 H 1 0.73 0.05 . 1 . . . . A 81 ILE HD13 . 34758 1 372 . 1 . 1 111 111 ILE C C 13 175.28 0.05 . 1 . . . . A 81 ILE C . 34758 1 373 . 1 . 1 111 111 ILE CA C 13 59.31 0.05 . 1 . . . . A 81 ILE CA . 34758 1 374 . 1 . 1 111 111 ILE CB C 13 41.98 0.05 . 1 . . . . A 81 ILE CB . 34758 1 375 . 1 . 1 111 111 ILE CD1 C 13 15.27 0.05 . 1 . . . . A 81 ILE CD1 . 34758 1 376 . 1 . 1 111 111 ILE N N 15 120.01 0.05 . 1 . . . . A 81 ILE N . 34758 1 377 . 1 . 1 112 112 PRO C C 13 175.97 0.05 . 1 . . . . A 82 PRO C . 34758 1 378 . 1 . 1 112 112 PRO CA C 13 62.39 0.05 . 1 . . . . A 82 PRO CA . 34758 1 379 . 1 . 1 112 112 PRO CB C 13 33.51 0.05 . 1 . . . . A 82 PRO CB . 34758 1 380 . 1 . 1 113 113 ASN H H 1 9.17 0.05 . 1 . . . . A 83 ASN H . 34758 1 381 . 1 . 1 113 113 ASN C C 13 175.62 0.05 . 1 . . . . A 83 ASN C . 34758 1 382 . 1 . 1 113 113 ASN CA C 13 52.77 0.05 . 1 . . . . A 83 ASN CA . 34758 1 383 . 1 . 1 113 113 ASN CB C 13 39.90 0.05 . 1 . . . . A 83 ASN CB . 34758 1 384 . 1 . 1 113 113 ASN N N 15 121.41 0.05 . 1 . . . . A 83 ASN N . 34758 1 385 . 1 . 1 114 114 LYS H H 1 9.46 0.05 . 1 . . . . A 84 LYS H . 34758 1 386 . 1 . 1 114 114 LYS C C 13 178.62 0.05 . 1 . . . . A 84 LYS C . 34758 1 387 . 1 . 1 114 114 LYS CA C 13 59.81 0.05 . 1 . . . . A 84 LYS CA . 34758 1 388 . 1 . 1 114 114 LYS CB C 13 32.97 0.05 . 1 . . . . A 84 LYS CB . 34758 1 389 . 1 . 1 114 114 LYS N N 15 124.87 0.05 . 1 . . . . A 84 LYS N . 34758 1 390 . 1 . 1 115 115 GLN H H 1 8.48 0.05 . 1 . . . . A 85 GLN H . 34758 1 391 . 1 . 1 115 115 GLN C C 13 177.78 0.05 . 1 . . . . A 85 GLN C . 34758 1 392 . 1 . 1 115 115 GLN CA C 13 59.32 0.05 . 1 . . . . A 85 GLN CA . 34758 1 393 . 1 . 1 115 115 GLN CB C 13 28.35 0.05 . 1 . . . . A 85 GLN CB . 34758 1 394 . 1 . 1 115 115 GLN N N 15 119.55 0.05 . 1 . . . . A 85 GLN N . 34758 1 395 . 1 . 1 116 116 ASP H H 1 7.69 0.05 . 1 . . . . A 86 ASP H . 34758 1 396 . 1 . 1 116 116 ASP C C 13 175.50 0.05 . 1 . . . . A 86 ASP C . 34758 1 397 . 1 . 1 116 116 ASP CA C 13 53.65 0.05 . 1 . . . . A 86 ASP CA . 34758 1 398 . 1 . 1 116 116 ASP CB C 13 40.88 0.05 . 1 . . . . A 86 ASP CB . 34758 1 399 . 1 . 1 116 116 ASP N N 15 116.34 0.05 . 1 . . . . A 86 ASP N . 34758 1 400 . 1 . 1 117 117 ARG H H 1 7.92 0.05 . 1 . . . . A 87 ARG H . 34758 1 401 . 1 . 1 117 117 ARG C C 13 174.75 0.05 . 1 . . . . A 87 ARG C . 34758 1 402 . 1 . 1 117 117 ARG CA C 13 57.41 0.05 . 1 . . . . A 87 ARG CA . 34758 1 403 . 1 . 1 117 117 ARG CB C 13 29.81 0.05 . 1 . . . . A 87 ARG CB . 34758 1 404 . 1 . 1 117 117 ARG N N 15 120.25 0.05 . 1 . . . . A 87 ARG N . 34758 1 405 . 1 . 1 118 118 THR H H 1 8.08 0.05 . 1 . . . . A 88 THR H . 34758 1 406 . 1 . 1 118 118 THR HG21 H 1 0.66 0.05 . 1 . . . . A 88 THR HG21 . 34758 1 407 . 1 . 1 118 118 THR HG22 H 1 0.66 0.05 . 1 . . . . A 88 THR HG22 . 34758 1 408 . 1 . 1 118 118 THR HG23 H 1 0.66 0.05 . 1 . . . . A 88 THR HG23 . 34758 1 409 . 1 . 1 118 118 THR C C 13 173.22 0.05 . 1 . . . . A 88 THR C . 34758 1 410 . 1 . 1 118 118 THR CA C 13 58.04 0.05 . 1 . . . . A 88 THR CA . 34758 1 411 . 1 . 1 118 118 THR CB C 13 73.08 0.05 . 1 . . . . A 88 THR CB . 34758 1 412 . 1 . 1 118 118 THR CG2 C 13 20.88 0.05 . 1 . . . . A 88 THR CG2 . 34758 1 413 . 1 . 1 118 118 THR N N 15 106.10 0.05 . 1 . . . . A 88 THR N . 34758 1 414 . 1 . 1 119 119 LEU HD21 H 1 1.15 0.05 . 1 . . . . A 89 LEU HD21 . 34758 1 415 . 1 . 1 119 119 LEU HD22 H 1 1.15 0.05 . 1 . . . . A 89 LEU HD22 . 34758 1 416 . 1 . 1 119 119 LEU HD23 H 1 1.15 0.05 . 1 . . . . A 89 LEU HD23 . 34758 1 417 . 1 . 1 119 119 LEU C C 13 174.57 0.05 . 1 . . . . A 89 LEU C . 34758 1 418 . 1 . 1 119 119 LEU CA C 13 53.79 0.05 . 1 . . . . A 89 LEU CA . 34758 1 419 . 1 . 1 119 119 LEU CB C 13 45.66 0.05 . 1 . . . . A 89 LEU CB . 34758 1 420 . 1 . 1 119 119 LEU CD2 C 13 25.99 0.05 . 1 . . . . A 89 LEU CD2 . 34758 1 421 . 1 . 1 120 120 THR H H 1 8.08 0.05 . 1 . . . . A 90 THR H . 34758 1 422 . 1 . 1 120 120 THR HG21 H 1 1.07 0.05 . 1 . . . . A 90 THR HG21 . 34758 1 423 . 1 . 1 120 120 THR HG22 H 1 1.07 0.05 . 1 . . . . A 90 THR HG22 . 34758 1 424 . 1 . 1 120 120 THR HG23 H 1 1.07 0.05 . 1 . . . . A 90 THR HG23 . 34758 1 425 . 1 . 1 120 120 THR C C 13 173.44 0.05 . 1 . . . . A 90 THR C . 34758 1 426 . 1 . 1 120 120 THR CA C 13 61.95 0.05 . 1 . . . . A 90 THR CA . 34758 1 427 . 1 . 1 120 120 THR CB C 13 70.16 0.05 . 1 . . . . A 90 THR CB . 34758 1 428 . 1 . 1 120 120 THR CG2 C 13 22.88 0.05 . 1 . . . . A 90 THR CG2 . 34758 1 429 . 1 . 1 120 120 THR N N 15 123.99 0.05 . 1 . . . . A 90 THR N . 34758 1 430 . 1 . 1 121 121 ILE H H 1 9.47 0.05 . 1 . . . . A 91 ILE H . 34758 1 431 . 1 . 1 121 121 ILE HD11 H 1 0.82 0.05 . 1 . . . . A 91 ILE HD11 . 34758 1 432 . 1 . 1 121 121 ILE HD12 H 1 0.82 0.05 . 1 . . . . A 91 ILE HD12 . 34758 1 433 . 1 . 1 121 121 ILE HD13 H 1 0.82 0.05 . 1 . . . . A 91 ILE HD13 . 34758 1 434 . 1 . 1 121 121 ILE C C 13 175.38 0.05 . 1 . . . . A 91 ILE C . 34758 1 435 . 1 . 1 121 121 ILE CA C 13 60.74 0.05 . 1 . . . . A 91 ILE CA . 34758 1 436 . 1 . 1 121 121 ILE CB C 13 40.48 0.05 . 1 . . . . A 91 ILE CB . 34758 1 437 . 1 . 1 121 121 ILE CD1 C 13 16.47 0.05 . 1 . . . . A 91 ILE CD1 . 34758 1 438 . 1 . 1 121 121 ILE N N 15 127.67 0.05 . 1 . . . . A 91 ILE N . 34758 1 439 . 1 . 1 122 122 VAL H H 1 9.66 0.05 . 1 . . . . A 92 VAL H . 34758 1 440 . 1 . 1 122 122 VAL HG21 H 1 0.94 0.05 . 1 . . . . A 92 VAL HG21 . 34758 1 441 . 1 . 1 122 122 VAL HG22 H 1 0.94 0.05 . 1 . . . . A 92 VAL HG22 . 34758 1 442 . 1 . 1 122 122 VAL HG23 H 1 0.94 0.05 . 1 . . . . A 92 VAL HG23 . 34758 1 443 . 1 . 1 122 122 VAL C C 13 174.17 0.05 . 1 . . . . A 92 VAL C . 34758 1 444 . 1 . 1 122 122 VAL CA C 13 60.80 0.05 . 1 . . . . A 92 VAL CA . 34758 1 445 . 1 . 1 122 122 VAL CB C 13 35.27 0.05 . 1 . . . . A 92 VAL CB . 34758 1 446 . 1 . 1 122 122 VAL CG2 C 13 22.51 0.05 . 1 . . . . A 92 VAL CG2 . 34758 1 447 . 1 . 1 122 122 VAL N N 15 129.58 0.05 . 1 . . . . A 92 VAL N . 34758 1 448 . 1 . 1 123 123 ASP H H 1 9.50 0.05 . 1 . . . . A 93 ASP H . 34758 1 449 . 1 . 1 123 123 ASP C C 13 176.21 0.05 . 1 . . . . A 93 ASP C . 34758 1 450 . 1 . 1 123 123 ASP CA C 13 52.78 0.05 . 1 . . . . A 93 ASP CA . 34758 1 451 . 1 . 1 123 123 ASP CB C 13 46.59 0.05 . 1 . . . . A 93 ASP CB . 34758 1 452 . 1 . 1 123 123 ASP N N 15 123.26 0.05 . 1 . . . . A 93 ASP N . 34758 1 453 . 1 . 1 124 124 THR H H 1 7.27 0.05 . 1 . . . . A 94 THR H . 34758 1 454 . 1 . 1 124 124 THR HG21 H 1 1.14 0.05 . 1 . . . . A 94 THR HG21 . 34758 1 455 . 1 . 1 124 124 THR HG22 H 1 1.14 0.05 . 1 . . . . A 94 THR HG22 . 34758 1 456 . 1 . 1 124 124 THR HG23 H 1 1.14 0.05 . 1 . . . . A 94 THR HG23 . 34758 1 457 . 1 . 1 124 124 THR C C 13 174.90 0.05 . 1 . . . . A 94 THR C . 34758 1 458 . 1 . 1 124 124 THR CA C 13 59.08 0.05 . 1 . . . . A 94 THR CA . 34758 1 459 . 1 . 1 124 124 THR CB C 13 66.58 0.05 . 1 . . . . A 94 THR CB . 34758 1 460 . 1 . 1 124 124 THR CG2 C 13 23.56 0.05 . 1 . . . . A 94 THR CG2 . 34758 1 461 . 1 . 1 124 124 THR N N 15 108.90 0.05 . 1 . . . . A 94 THR N . 34758 1 462 . 1 . 1 125 125 GLY H H 1 9.57 0.05 . 1 . . . . A 95 GLY H . 34758 1 463 . 1 . 1 125 125 GLY C C 13 172.46 0.05 . 1 . . . . A 95 GLY C . 34758 1 464 . 1 . 1 125 125 GLY CA C 13 44.87 0.05 . 1 . . . . A 95 GLY CA . 34758 1 465 . 1 . 1 125 125 GLY N N 15 108.73 0.05 . 1 . . . . A 95 GLY N . 34758 1 466 . 1 . 1 126 126 ILE H H 1 6.88 0.05 . 1 . . . . A 96 ILE H . 34758 1 467 . 1 . 1 126 126 ILE HD11 H 1 0.85 0.05 . 1 . . . . A 96 ILE HD11 . 34758 1 468 . 1 . 1 126 126 ILE HD12 H 1 0.85 0.05 . 1 . . . . A 96 ILE HD12 . 34758 1 469 . 1 . 1 126 126 ILE HD13 H 1 0.85 0.05 . 1 . . . . A 96 ILE HD13 . 34758 1 470 . 1 . 1 126 126 ILE C C 13 173.41 0.05 . 1 . . . . A 96 ILE C . 34758 1 471 . 1 . 1 126 126 ILE CA C 13 62.89 0.05 . 1 . . . . A 96 ILE CA . 34758 1 472 . 1 . 1 126 126 ILE CB C 13 40.83 0.05 . 1 . . . . A 96 ILE CB . 34758 1 473 . 1 . 1 126 126 ILE CD1 C 13 15.77 0.05 . 1 . . . . A 96 ILE CD1 . 34758 1 474 . 1 . 1 126 126 ILE N N 15 115.66 0.05 . 1 . . . . A 96 ILE N . 34758 1 475 . 1 . 1 127 127 GLY H H 1 7.71 0.05 . 1 . . . . A 97 GLY H . 34758 1 476 . 1 . 1 127 127 GLY C C 13 173.14 0.05 . 1 . . . . A 97 GLY C . 34758 1 477 . 1 . 1 127 127 GLY CA C 13 44.18 0.05 . 1 . . . . A 97 GLY CA . 34758 1 478 . 1 . 1 127 127 GLY N N 15 103.50 0.05 . 1 . . . . A 97 GLY N . 34758 1 479 . 1 . 1 128 128 MET H H 1 7.72 0.05 . 1 . . . . A 98 MET H . 34758 1 480 . 1 . 1 128 128 MET HE1 H 1 1.74 0.05 . 1 . . . . A 98 MET HE1 . 34758 1 481 . 1 . 1 128 128 MET HE2 H 1 1.74 0.05 . 1 . . . . A 98 MET HE2 . 34758 1 482 . 1 . 1 128 128 MET HE3 H 1 1.74 0.05 . 1 . . . . A 98 MET HE3 . 34758 1 483 . 1 . 1 128 128 MET C C 13 175.28 0.05 . 1 . . . . A 98 MET C . 34758 1 484 . 1 . 1 128 128 MET CA C 13 55.57 0.05 . 1 . . . . A 98 MET CA . 34758 1 485 . 1 . 1 128 128 MET CB C 13 37.69 0.05 . 1 . . . . A 98 MET CB . 34758 1 486 . 1 . 1 128 128 MET CE C 13 17.73 0.05 . 1 . . . . A 98 MET CE . 34758 1 487 . 1 . 1 128 128 MET N N 15 116.80 0.05 . 1 . . . . A 98 MET N . 34758 1 488 . 1 . 1 129 129 THR H H 1 8.09 0.05 . 1 . . . . A 99 THR H . 34758 1 489 . 1 . 1 129 129 THR HG21 H 1 0.67 0.05 . 1 . . . . A 99 THR HG21 . 34758 1 490 . 1 . 1 129 129 THR HG22 H 1 0.67 0.05 . 1 . . . . A 99 THR HG22 . 34758 1 491 . 1 . 1 129 129 THR HG23 H 1 0.67 0.05 . 1 . . . . A 99 THR HG23 . 34758 1 492 . 1 . 1 129 129 THR C C 13 174.11 0.05 . 1 . . . . A 99 THR C . 34758 1 493 . 1 . 1 129 129 THR CA C 13 61.16 0.05 . 1 . . . . A 99 THR CA . 34758 1 494 . 1 . 1 129 129 THR CB C 13 70.90 0.05 . 1 . . . . A 99 THR CB . 34758 1 495 . 1 . 1 129 129 THR CG2 C 13 21.09 0.05 . 1 . . . . A 99 THR CG2 . 34758 1 496 . 1 . 1 129 129 THR N N 15 112.05 0.05 . 1 . . . . A 99 THR N . 34758 1 497 . 1 . 1 131 131 ALA HB1 H 1 1.21 0.05 . 1 . . . . A 101 ALA HB1 . 34758 1 498 . 1 . 1 131 131 ALA HB2 H 1 1.21 0.05 . 1 . . . . A 101 ALA HB2 . 34758 1 499 . 1 . 1 131 131 ALA HB3 H 1 1.21 0.05 . 1 . . . . A 101 ALA HB3 . 34758 1 500 . 1 . 1 131 131 ALA CA C 13 54.82 0.05 . 1 . . . . A 101 ALA CA . 34758 1 501 . 1 . 1 131 131 ALA CB C 13 18.03 0.05 . 1 . . . . A 101 ALA CB . 34758 1 502 . 1 . 1 132 132 ASP C C 13 178.17 0.05 . 1 . . . . A 102 ASP C . 34758 1 503 . 1 . 1 132 132 ASP CA C 13 57.25 0.05 . 1 . . . . A 102 ASP CA . 34758 1 504 . 1 . 1 132 132 ASP CB C 13 40.61 0.05 . 1 . . . . A 102 ASP CB . 34758 1 505 . 1 . 1 133 133 LEU HD21 H 1 0.80 0.05 . 1 . . . . A 103 LEU HD21 . 34758 1 506 . 1 . 1 133 133 LEU HD22 H 1 0.80 0.05 . 1 . . . . A 103 LEU HD22 . 34758 1 507 . 1 . 1 133 133 LEU HD23 H 1 0.80 0.05 . 1 . . . . A 103 LEU HD23 . 34758 1 508 . 1 . 1 133 133 LEU CA C 13 57.84 0.05 . 1 . . . . A 103 LEU CA . 34758 1 509 . 1 . 1 133 133 LEU CB C 13 43.46 0.05 . 1 . . . . A 103 LEU CB . 34758 1 510 . 1 . 1 133 133 LEU CD2 C 13 25.45 0.05 . 1 . . . . A 103 LEU CD2 . 34758 1 511 . 1 . 1 134 134 ILE HD11 H 1 0.59 0.05 . 1 . . . . A 104 ILE HD11 . 34758 1 512 . 1 . 1 134 134 ILE HD12 H 1 0.59 0.05 . 1 . . . . A 104 ILE HD12 . 34758 1 513 . 1 . 1 134 134 ILE HD13 H 1 0.59 0.05 . 1 . . . . A 104 ILE HD13 . 34758 1 514 . 1 . 1 134 134 ILE CA C 13 65.37 0.05 . 1 . . . . A 104 ILE CA . 34758 1 515 . 1 . 1 134 134 ILE CB C 13 38.18 0.05 . 1 . . . . A 104 ILE CB . 34758 1 516 . 1 . 1 134 134 ILE CD1 C 13 15.11 0.05 . 1 . . . . A 104 ILE CD1 . 34758 1 517 . 1 . 1 137 137 LEU HD21 H 1 -0.85 0.05 . 1 . . . . A 107 LEU HD21 . 34758 1 518 . 1 . 1 137 137 LEU HD22 H 1 -0.85 0.05 . 1 . . . . A 107 LEU HD22 . 34758 1 519 . 1 . 1 137 137 LEU HD23 H 1 -0.85 0.05 . 1 . . . . A 107 LEU HD23 . 34758 1 520 . 1 . 1 137 137 LEU CA C 13 54.69 0.05 . 1 . . . . A 107 LEU CA . 34758 1 521 . 1 . 1 137 137 LEU CB C 13 39.46 0.05 . 1 . . . . A 107 LEU CB . 34758 1 522 . 1 . 1 137 137 LEU CD2 C 13 21.78 0.05 . 1 . . . . A 107 LEU CD2 . 34758 1 523 . 1 . 1 139 139 THR HG21 H 1 1.44 0.05 . 1 . . . . A 109 THR HG21 . 34758 1 524 . 1 . 1 139 139 THR HG22 H 1 1.44 0.05 . 1 . . . . A 109 THR HG22 . 34758 1 525 . 1 . 1 139 139 THR HG23 H 1 1.44 0.05 . 1 . . . . A 109 THR HG23 . 34758 1 526 . 1 . 1 139 139 THR CB C 13 70.81 0.05 . 1 . . . . A 109 THR CB . 34758 1 527 . 1 . 1 139 139 THR CG2 C 13 22.30 0.05 . 1 . . . . A 109 THR CG2 . 34758 1 528 . 1 . 1 140 140 ILE HD11 H 1 0.82 0.05 . 1 . . . . A 110 ILE HD11 . 34758 1 529 . 1 . 1 140 140 ILE HD12 H 1 0.82 0.05 . 1 . . . . A 110 ILE HD12 . 34758 1 530 . 1 . 1 140 140 ILE HD13 H 1 0.82 0.05 . 1 . . . . A 110 ILE HD13 . 34758 1 531 . 1 . 1 140 140 ILE CB C 13 39.08 0.05 . 1 . . . . A 110 ILE CB . 34758 1 532 . 1 . 1 140 140 ILE CD1 C 13 12.11 0.05 . 1 . . . . A 110 ILE CD1 . 34758 1 533 . 1 . 1 141 141 ALA HB1 H 1 1.42 0.05 . 1 . . . . A 111 ALA HB1 . 34758 1 534 . 1 . 1 141 141 ALA HB2 H 1 1.42 0.05 . 1 . . . . A 111 ALA HB2 . 34758 1 535 . 1 . 1 141 141 ALA HB3 H 1 1.42 0.05 . 1 . . . . A 111 ALA HB3 . 34758 1 536 . 1 . 1 141 141 ALA CA C 13 52.52 0.05 . 1 . . . . A 111 ALA CA . 34758 1 537 . 1 . 1 141 141 ALA CB C 13 18.85 0.05 . 1 . . . . A 111 ALA CB . 34758 1 538 . 1 . 1 145 145 THR HG21 H 1 1.10 0.05 . 1 . . . . A 115 THR HG21 . 34758 1 539 . 1 . 1 145 145 THR HG22 H 1 1.10 0.05 . 1 . . . . A 115 THR HG22 . 34758 1 540 . 1 . 1 145 145 THR HG23 H 1 1.10 0.05 . 1 . . . . A 115 THR HG23 . 34758 1 541 . 1 . 1 145 145 THR CB C 13 68.21 0.05 . 1 . . . . A 115 THR CB . 34758 1 542 . 1 . 1 145 145 THR CG2 C 13 23.84 0.05 . 1 . . . . A 115 THR CG2 . 34758 1 543 . 1 . 1 146 146 LYS C C 13 178.77 0.05 . 1 . . . . A 116 LYS C . 34758 1 544 . 1 . 1 146 146 LYS CA C 13 59.89 0.05 . 1 . . . . A 116 LYS CA . 34758 1 545 . 1 . 1 146 146 LYS CB C 13 32.31 0.05 . 1 . . . . A 116 LYS CB . 34758 1 546 . 1 . 1 147 147 ALA H H 1 7.91 0.05 . 1 . . . . A 117 ALA H . 34758 1 547 . 1 . 1 147 147 ALA HB1 H 1 1.65 0.05 . 1 . . . . A 117 ALA HB1 . 34758 1 548 . 1 . 1 147 147 ALA HB2 H 1 1.65 0.05 . 1 . . . . A 117 ALA HB2 . 34758 1 549 . 1 . 1 147 147 ALA HB3 H 1 1.65 0.05 . 1 . . . . A 117 ALA HB3 . 34758 1 550 . 1 . 1 147 147 ALA C C 13 180.88 0.05 . 1 . . . . A 117 ALA C . 34758 1 551 . 1 . 1 147 147 ALA CA C 13 54.91 0.05 . 1 . . . . A 117 ALA CA . 34758 1 552 . 1 . 1 147 147 ALA CB C 13 18.34 0.05 . 1 . . . . A 117 ALA CB . 34758 1 553 . 1 . 1 147 147 ALA N N 15 120.42 0.05 . 1 . . . . A 117 ALA N . 34758 1 554 . 1 . 1 148 148 PHE H H 1 8.35 0.05 . 1 . . . . A 118 PHE H . 34758 1 555 . 1 . 1 148 148 PHE C C 13 176.69 0.05 . 1 . . . . A 118 PHE C . 34758 1 556 . 1 . 1 148 148 PHE CA C 13 59.29 0.05 . 1 . . . . A 118 PHE CA . 34758 1 557 . 1 . 1 148 148 PHE CB C 13 37.98 0.05 . 1 . . . . A 118 PHE CB . 34758 1 558 . 1 . 1 148 148 PHE N N 15 119.95 0.05 . 1 . . . . A 118 PHE N . 34758 1 559 . 1 . 1 149 149 MET H H 1 7.88 0.05 . 1 . . . . A 119 MET H . 34758 1 560 . 1 . 1 149 149 MET HE1 H 1 2.04 0.05 . 1 . . . . A 119 MET HE1 . 34758 1 561 . 1 . 1 149 149 MET HE2 H 1 2.04 0.05 . 1 . . . . A 119 MET HE2 . 34758 1 562 . 1 . 1 149 149 MET HE3 H 1 2.04 0.05 . 1 . . . . A 119 MET HE3 . 34758 1 563 . 1 . 1 149 149 MET C C 13 179.22 0.05 . 1 . . . . A 119 MET C . 34758 1 564 . 1 . 1 149 149 MET CA C 13 59.82 0.05 . 1 . . . . A 119 MET CA . 34758 1 565 . 1 . 1 149 149 MET CB C 13 32.73 0.05 . 1 . . . . A 119 MET CB . 34758 1 566 . 1 . 1 149 149 MET CE C 13 16.78 0.05 . 1 . . . . A 119 MET CE . 34758 1 567 . 1 . 1 149 149 MET N N 15 117.19 0.05 . 1 . . . . A 119 MET N . 34758 1 568 . 1 . 1 150 150 GLU H H 1 8.11 0.05 . 1 . . . . A 120 GLU H . 34758 1 569 . 1 . 1 150 150 GLU C C 13 179.60 0.05 . 1 . . . . A 120 GLU C . 34758 1 570 . 1 . 1 150 150 GLU CA C 13 59.55 0.05 . 1 . . . . A 120 GLU CA . 34758 1 571 . 1 . 1 150 150 GLU CB C 13 29.22 0.05 . 1 . . . . A 120 GLU CB . 34758 1 572 . 1 . 1 150 150 GLU N N 15 118.53 0.05 . 1 . . . . A 120 GLU N . 34758 1 573 . 1 . 1 151 151 ALA H H 1 7.82 0.05 . 1 . . . . A 121 ALA H . 34758 1 574 . 1 . 1 151 151 ALA HB1 H 1 1.35 0.05 . 1 . . . . A 121 ALA HB1 . 34758 1 575 . 1 . 1 151 151 ALA HB2 H 1 1.35 0.05 . 1 . . . . A 121 ALA HB2 . 34758 1 576 . 1 . 1 151 151 ALA HB3 H 1 1.35 0.05 . 1 . . . . A 121 ALA HB3 . 34758 1 577 . 1 . 1 151 151 ALA C C 13 181.31 0.05 . 1 . . . . A 121 ALA C . 34758 1 578 . 1 . 1 151 151 ALA CA C 13 55.24 0.05 . 1 . . . . A 121 ALA CA . 34758 1 579 . 1 . 1 151 151 ALA CB C 13 16.94 0.05 . 1 . . . . A 121 ALA CB . 34758 1 580 . 1 . 1 151 151 ALA N N 15 123.94 0.05 . 1 . . . . A 121 ALA N . 34758 1 581 . 1 . 1 152 152 LEU H H 1 8.34 0.05 . 1 . . . . A 122 LEU H . 34758 1 582 . 1 . 1 152 152 LEU HD21 H 1 0.41 0.05 . 1 . . . . A 122 LEU HD21 . 34758 1 583 . 1 . 1 152 152 LEU HD22 H 1 0.41 0.05 . 1 . . . . A 122 LEU HD22 . 34758 1 584 . 1 . 1 152 152 LEU HD23 H 1 0.41 0.05 . 1 . . . . A 122 LEU HD23 . 34758 1 585 . 1 . 1 152 152 LEU C C 13 181.77 0.05 . 1 . . . . A 122 LEU C . 34758 1 586 . 1 . 1 152 152 LEU CA C 13 57.69 0.05 . 1 . . . . A 122 LEU CA . 34758 1 587 . 1 . 1 152 152 LEU CB C 13 41.65 0.05 . 1 . . . . A 122 LEU CB . 34758 1 588 . 1 . 1 152 152 LEU CD2 C 13 22.74 0.05 . 1 . . . . A 122 LEU CD2 . 34758 1 589 . 1 . 1 152 152 LEU N N 15 119.95 0.05 . 1 . . . . A 122 LEU N . 34758 1 590 . 1 . 1 153 153 GLN H H 1 7.83 0.05 . 1 . . . . A 123 GLN H . 34758 1 591 . 1 . 1 153 153 GLN C C 13 176.92 0.05 . 1 . . . . A 123 GLN C . 34758 1 592 . 1 . 1 153 153 GLN CA C 13 58.44 0.05 . 1 . . . . A 123 GLN CA . 34758 1 593 . 1 . 1 153 153 GLN CB C 13 28.43 0.05 . 1 . . . . A 123 GLN CB . 34758 1 594 . 1 . 1 153 153 GLN N N 15 119.22 0.05 . 1 . . . . A 123 GLN N . 34758 1 595 . 1 . 1 154 154 ALA H H 1 7.43 0.05 . 1 . . . . A 124 ALA H . 34758 1 596 . 1 . 1 154 154 ALA HB1 H 1 1.51 0.05 . 1 . . . . A 124 ALA HB1 . 34758 1 597 . 1 . 1 154 154 ALA HB2 H 1 1.51 0.05 . 1 . . . . A 124 ALA HB2 . 34758 1 598 . 1 . 1 154 154 ALA HB3 H 1 1.51 0.05 . 1 . . . . A 124 ALA HB3 . 34758 1 599 . 1 . 1 154 154 ALA C C 13 177.85 0.05 . 1 . . . . A 124 ALA C . 34758 1 600 . 1 . 1 154 154 ALA CA C 13 52.04 0.05 . 1 . . . . A 124 ALA CA . 34758 1 601 . 1 . 1 154 154 ALA CB C 13 18.93 0.05 . 1 . . . . A 124 ALA CB . 34758 1 602 . 1 . 1 154 154 ALA N N 15 120.13 0.05 . 1 . . . . A 124 ALA N . 34758 1 603 . 1 . 1 155 155 GLY H H 1 7.68 0.05 . 1 . . . . A 125 GLY H . 34758 1 604 . 1 . 1 155 155 GLY C C 13 175.04 0.05 . 1 . . . . A 125 GLY C . 34758 1 605 . 1 . 1 155 155 GLY CA C 13 45.71 0.05 . 1 . . . . A 125 GLY CA . 34758 1 606 . 1 . 1 155 155 GLY N N 15 105.96 0.05 . 1 . . . . A 125 GLY N . 34758 1 607 . 1 . 1 156 156 ALA H H 1 8.14 0.05 . 1 . . . . A 126 ALA H . 34758 1 608 . 1 . 1 156 156 ALA HB1 H 1 1.27 0.05 . 1 . . . . A 126 ALA HB1 . 34758 1 609 . 1 . 1 156 156 ALA HB2 H 1 1.27 0.05 . 1 . . . . A 126 ALA HB2 . 34758 1 610 . 1 . 1 156 156 ALA HB3 H 1 1.27 0.05 . 1 . . . . A 126 ALA HB3 . 34758 1 611 . 1 . 1 156 156 ALA C C 13 175.72 0.05 . 1 . . . . A 126 ALA C . 34758 1 612 . 1 . 1 156 156 ALA CA C 13 52.51 0.05 . 1 . . . . A 126 ALA CA . 34758 1 613 . 1 . 1 156 156 ALA CB C 13 19.54 0.05 . 1 . . . . A 126 ALA CB . 34758 1 614 . 1 . 1 156 156 ALA N N 15 123.09 0.05 . 1 . . . . A 126 ALA N . 34758 1 615 . 1 . 1 157 157 ASP H H 1 8.17 0.05 . 1 . . . . A 127 ASP H . 34758 1 616 . 1 . 1 157 157 ASP C C 13 177.29 0.05 . 1 . . . . A 127 ASP C . 34758 1 617 . 1 . 1 157 157 ASP CA C 13 53.97 0.05 . 1 . . . . A 127 ASP CA . 34758 1 618 . 1 . 1 157 157 ASP CB C 13 44.34 0.05 . 1 . . . . A 127 ASP CB . 34758 1 619 . 1 . 1 157 157 ASP N N 15 118.35 0.05 . 1 . . . . A 127 ASP N . 34758 1 620 . 1 . 1 158 158 ILE H H 1 7.75 0.05 . 1 . . . . A 128 ILE H . 34758 1 621 . 1 . 1 158 158 ILE HD11 H 1 0.65 0.05 . 1 . . . . A 128 ILE HD11 . 34758 1 622 . 1 . 1 158 158 ILE HD12 H 1 0.65 0.05 . 1 . . . . A 128 ILE HD12 . 34758 1 623 . 1 . 1 158 158 ILE HD13 H 1 0.65 0.05 . 1 . . . . A 128 ILE HD13 . 34758 1 624 . 1 . 1 158 158 ILE C C 13 175.46 0.05 . 1 . . . . A 128 ILE C . 34758 1 625 . 1 . 1 158 158 ILE CA C 13 62.06 0.05 . 1 . . . . A 128 ILE CA . 34758 1 626 . 1 . 1 158 158 ILE CB C 13 38.27 0.05 . 1 . . . . A 128 ILE CB . 34758 1 627 . 1 . 1 158 158 ILE CD1 C 13 13.65 0.05 . 1 . . . . A 128 ILE CD1 . 34758 1 628 . 1 . 1 158 158 ILE N N 15 122.93 0.05 . 1 . . . . A 128 ILE N . 34758 1 629 . 1 . 1 159 159 SER H H 1 8.57 0.05 . 1 . . . . A 129 SER H . 34758 1 630 . 1 . 1 159 159 SER C C 13 175.98 0.05 . 1 . . . . A 129 SER C . 34758 1 631 . 1 . 1 159 159 SER CA C 13 60.77 0.05 . 1 . . . . A 129 SER CA . 34758 1 632 . 1 . 1 159 159 SER CB C 13 63.06 0.05 . 1 . . . . A 129 SER CB . 34758 1 633 . 1 . 1 159 159 SER N N 15 114.20 0.05 . 1 . . . . A 129 SER N . 34758 1 634 . 1 . 1 160 160 MET H H 1 8.01 0.05 . 1 . . . . A 130 MET H . 34758 1 635 . 1 . 1 160 160 MET HE1 H 1 2.21 0.05 . 1 . . . . A 130 MET HE1 . 34758 1 636 . 1 . 1 160 160 MET HE2 H 1 2.21 0.05 . 1 . . . . A 130 MET HE2 . 34758 1 637 . 1 . 1 160 160 MET HE3 H 1 2.21 0.05 . 1 . . . . A 130 MET HE3 . 34758 1 638 . 1 . 1 160 160 MET CA C 13 56.78 0.05 . 1 . . . . A 130 MET CA . 34758 1 639 . 1 . 1 160 160 MET CB C 13 32.83 0.05 . 1 . . . . A 130 MET CB . 34758 1 640 . 1 . 1 160 160 MET CE C 13 17.14 0.05 . 1 . . . . A 130 MET CE . 34758 1 641 . 1 . 1 160 160 MET N N 15 119.91 0.05 . 1 . . . . A 130 MET N . 34758 1 642 . 1 . 1 161 161 ILE HD11 H 1 0.68 0.05 . 1 . . . . A 131 ILE HD11 . 34758 1 643 . 1 . 1 161 161 ILE HD12 H 1 0.68 0.05 . 1 . . . . A 131 ILE HD12 . 34758 1 644 . 1 . 1 161 161 ILE HD13 H 1 0.68 0.05 . 1 . . . . A 131 ILE HD13 . 34758 1 645 . 1 . 1 161 161 ILE CA C 13 65.42 0.05 . 1 . . . . A 131 ILE CA . 34758 1 646 . 1 . 1 161 161 ILE CB C 13 37.68 0.05 . 1 . . . . A 131 ILE CB . 34758 1 647 . 1 . 1 161 161 ILE CD1 C 13 14.83 0.05 . 1 . . . . A 131 ILE CD1 . 34758 1 648 . 1 . 1 162 162 GLY C C 13 177.86 0.05 . 1 . . . . A 132 GLY C . 34758 1 649 . 1 . 1 162 162 GLY CA C 13 47.18 0.05 . 1 . . . . A 132 GLY CA . 34758 1 650 . 1 . 1 163 163 GLN H H 1 8.02 0.05 . 1 . . . . A 133 GLN H . 34758 1 651 . 1 . 1 163 163 GLN C C 13 176.87 0.05 . 1 . . . . A 133 GLN C . 34758 1 652 . 1 . 1 163 163 GLN CA C 13 57.32 0.05 . 1 . . . . A 133 GLN CA . 34758 1 653 . 1 . 1 163 163 GLN CB C 13 28.06 0.05 . 1 . . . . A 133 GLN CB . 34758 1 654 . 1 . 1 163 163 GLN N N 15 120.00 0.05 . 1 . . . . A 133 GLN N . 34758 1 655 . 1 . 1 164 164 PHE H H 1 7.37 0.05 . 1 . . . . A 134 PHE H . 34758 1 656 . 1 . 1 164 164 PHE C C 13 176.30 0.05 . 1 . . . . A 134 PHE C . 34758 1 657 . 1 . 1 164 164 PHE CA C 13 58.04 0.05 . 1 . . . . A 134 PHE CA . 34758 1 658 . 1 . 1 164 164 PHE CB C 13 39.88 0.05 . 1 . . . . A 134 PHE CB . 34758 1 659 . 1 . 1 164 164 PHE N N 15 115.47 0.05 . 1 . . . . A 134 PHE N . 34758 1 660 . 1 . 1 165 165 GLY H H 1 7.67 0.05 . 1 . . . . A 135 GLY H . 34758 1 661 . 1 . 1 165 165 GLY C C 13 174.91 0.05 . 1 . . . . A 135 GLY C . 34758 1 662 . 1 . 1 165 165 GLY CA C 13 46.93 0.05 . 1 . . . . A 135 GLY CA . 34758 1 663 . 1 . 1 165 165 GLY N N 15 105.50 0.05 . 1 . . . . A 135 GLY N . 34758 1 664 . 1 . 1 166 166 VAL H H 1 6.63 0.05 . 1 . . . . A 136 VAL H . 34758 1 665 . 1 . 1 166 166 VAL HG21 H 1 0.57 0.05 . 1 . . . . A 136 VAL HG21 . 34758 1 666 . 1 . 1 166 166 VAL HG22 H 1 0.57 0.05 . 1 . . . . A 136 VAL HG22 . 34758 1 667 . 1 . 1 166 166 VAL HG23 H 1 0.57 0.05 . 1 . . . . A 136 VAL HG23 . 34758 1 668 . 1 . 1 166 166 VAL C C 13 175.72 0.05 . 1 . . . . A 136 VAL C . 34758 1 669 . 1 . 1 166 166 VAL CA C 13 60.11 0.05 . 1 . . . . A 136 VAL CA . 34758 1 670 . 1 . 1 166 166 VAL CB C 13 31.27 0.05 . 1 . . . . A 136 VAL CB . 34758 1 671 . 1 . 1 166 166 VAL CG2 C 13 18.00 0.05 . 1 . . . . A 136 VAL CG2 . 34758 1 672 . 1 . 1 166 166 VAL N N 15 108.12 0.05 . 1 . . . . A 136 VAL N . 34758 1 673 . 1 . 1 167 167 GLY H H 1 8.77 0.05 . 1 . . . . A 137 GLY H . 34758 1 674 . 1 . 1 167 167 GLY C C 13 175.81 0.05 . 1 . . . . A 137 GLY C . 34758 1 675 . 1 . 1 167 167 GLY CA C 13 48.04 0.05 . 1 . . . . A 137 GLY CA . 34758 1 676 . 1 . 1 167 167 GLY N N 15 107.56 0.05 . 1 . . . . A 137 GLY N . 34758 1 677 . 1 . 1 168 168 PHE H H 1 9.14 0.05 . 1 . . . . A 138 PHE H . 34758 1 678 . 1 . 1 168 168 PHE C C 13 175.20 0.05 . 1 . . . . A 138 PHE C . 34758 1 679 . 1 . 1 168 168 PHE CA C 13 61.24 0.05 . 1 . . . . A 138 PHE CA . 34758 1 680 . 1 . 1 168 168 PHE CB C 13 39.89 0.05 . 1 . . . . A 138 PHE CB . 34758 1 681 . 1 . 1 168 168 PHE N N 15 123.51 0.05 . 1 . . . . A 138 PHE N . 34758 1 682 . 1 . 1 169 169 TYR H H 1 7.17 0.05 . 1 . . . . A 139 TYR H . 34758 1 683 . 1 . 1 169 169 TYR C C 13 177.25 0.05 . 1 . . . . A 139 TYR C . 34758 1 684 . 1 . 1 169 169 TYR CA C 13 61.62 0.05 . 1 . . . . A 139 TYR CA . 34758 1 685 . 1 . 1 169 169 TYR CB C 13 37.11 0.05 . 1 . . . . A 139 TYR CB . 34758 1 686 . 1 . 1 169 169 TYR N N 15 110.08 0.05 . 1 . . . . A 139 TYR N . 34758 1 687 . 1 . 1 170 170 SER H H 1 8.02 0.05 . 1 . . . . A 140 SER H . 34758 1 688 . 1 . 1 170 170 SER CA C 13 62.10 0.05 . 1 . . . . A 140 SER CA . 34758 1 689 . 1 . 1 170 170 SER N N 15 114.11 0.05 . 1 . . . . A 140 SER N . 34758 1 690 . 1 . 1 171 171 ALA H H 1 8.03 0.05 . 1 . . . . A 141 ALA H . 34758 1 691 . 1 . 1 171 171 ALA HB1 H 1 0.82 0.05 . 1 . . . . A 141 ALA HB1 . 34758 1 692 . 1 . 1 171 171 ALA HB2 H 1 0.82 0.05 . 1 . . . . A 141 ALA HB2 . 34758 1 693 . 1 . 1 171 171 ALA HB3 H 1 0.82 0.05 . 1 . . . . A 141 ALA HB3 . 34758 1 694 . 1 . 1 171 171 ALA C C 13 178.98 0.05 . 1 . . . . A 141 ALA C . 34758 1 695 . 1 . 1 171 171 ALA CA C 13 55.35 0.05 . 1 . . . . A 141 ALA CA . 34758 1 696 . 1 . 1 171 171 ALA CB C 13 18.80 0.05 . 1 . . . . A 141 ALA CB . 34758 1 697 . 1 . 1 171 171 ALA N N 15 125.13 0.05 . 1 . . . . A 141 ALA N . 34758 1 698 . 1 . 1 172 172 TYR H H 1 7.42 0.05 . 1 . . . . A 142 TYR H . 34758 1 699 . 1 . 1 172 172 TYR C C 13 175.67 0.05 . 1 . . . . A 142 TYR C . 34758 1 700 . 1 . 1 172 172 TYR CA C 13 61.02 0.05 . 1 . . . . A 142 TYR CA . 34758 1 701 . 1 . 1 172 172 TYR CB C 13 36.40 0.05 . 1 . . . . A 142 TYR CB . 34758 1 702 . 1 . 1 172 172 TYR N N 15 111.84 0.05 . 1 . . . . A 142 TYR N . 34758 1 703 . 1 . 1 173 173 LEU H H 1 8.08 0.05 . 1 . . . . A 143 LEU H . 34758 1 704 . 1 . 1 173 173 LEU HD21 H 1 1.06 0.05 . 1 . . . . A 143 LEU HD21 . 34758 1 705 . 1 . 1 173 173 LEU HD22 H 1 1.06 0.05 . 1 . . . . A 143 LEU HD22 . 34758 1 706 . 1 . 1 173 173 LEU HD23 H 1 1.06 0.05 . 1 . . . . A 143 LEU HD23 . 34758 1 707 . 1 . 1 173 173 LEU C C 13 178.96 0.05 . 1 . . . . A 143 LEU C . 34758 1 708 . 1 . 1 173 173 LEU CA C 13 57.69 0.05 . 1 . . . . A 143 LEU CA . 34758 1 709 . 1 . 1 173 173 LEU CB C 13 43.83 0.05 . 1 . . . . A 143 LEU CB . 34758 1 710 . 1 . 1 173 173 LEU CD2 C 13 24.56 0.05 . 1 . . . . A 143 LEU CD2 . 34758 1 711 . 1 . 1 173 173 LEU N N 15 118.40 0.05 . 1 . . . . A 143 LEU N . 34758 1 712 . 1 . 1 174 174 VAL H H 1 6.62 0.05 . 1 . . . . A 144 VAL H . 34758 1 713 . 1 . 1 174 174 VAL HG21 H 1 -0.58 0.05 . 1 . . . . A 144 VAL HG21 . 34758 1 714 . 1 . 1 174 174 VAL HG22 H 1 -0.58 0.05 . 1 . . . . A 144 VAL HG22 . 34758 1 715 . 1 . 1 174 174 VAL HG23 H 1 -0.58 0.05 . 1 . . . . A 144 VAL HG23 . 34758 1 716 . 1 . 1 174 174 VAL C C 13 173.58 0.05 . 1 . . . . A 144 VAL C . 34758 1 717 . 1 . 1 174 174 VAL CA C 13 60.49 0.05 . 1 . . . . A 144 VAL CA . 34758 1 718 . 1 . 1 174 174 VAL CB C 13 33.69 0.05 . 1 . . . . A 144 VAL CB . 34758 1 719 . 1 . 1 174 174 VAL CG2 C 13 15.86 0.05 . 1 . . . . A 144 VAL CG2 . 34758 1 720 . 1 . 1 174 174 VAL N N 15 102.45 0.05 . 1 . . . . A 144 VAL N . 34758 1 721 . 1 . 1 175 175 ALA H H 1 7.72 0.05 . 1 . . . . A 145 ALA H . 34758 1 722 . 1 . 1 175 175 ALA HB1 H 1 0.92 0.05 . 1 . . . . A 145 ALA HB1 . 34758 1 723 . 1 . 1 175 175 ALA HB2 H 1 0.92 0.05 . 1 . . . . A 145 ALA HB2 . 34758 1 724 . 1 . 1 175 175 ALA HB3 H 1 0.92 0.05 . 1 . . . . A 145 ALA HB3 . 34758 1 725 . 1 . 1 175 175 ALA C C 13 175.81 0.05 . 1 . . . . A 145 ALA C . 34758 1 726 . 1 . 1 175 175 ALA CA C 13 50.93 0.05 . 1 . . . . A 145 ALA CA . 34758 1 727 . 1 . 1 175 175 ALA CB C 13 21.92 0.05 . 1 . . . . A 145 ALA CB . 34758 1 728 . 1 . 1 175 175 ALA N N 15 124.12 0.05 . 1 . . . . A 145 ALA N . 34758 1 729 . 1 . 1 176 176 GLU H H 1 8.54 0.05 . 1 . . . . A 146 GLU H . 34758 1 730 . 1 . 1 176 176 GLU C C 13 175.52 0.05 . 1 . . . . A 146 GLU C . 34758 1 731 . 1 . 1 176 176 GLU CA C 13 56.12 0.05 . 1 . . . . A 146 GLU CA . 34758 1 732 . 1 . 1 176 176 GLU CB C 13 30.84 0.05 . 1 . . . . A 146 GLU CB . 34758 1 733 . 1 . 1 176 176 GLU N N 15 117.76 0.05 . 1 . . . . A 146 GLU N . 34758 1 734 . 1 . 1 177 177 LYS H H 1 7.44 0.05 . 1 . . . . A 147 LYS H . 34758 1 735 . 1 . 1 177 177 LYS C C 13 173.36 0.05 . 1 . . . . A 147 LYS C . 34758 1 736 . 1 . 1 177 177 LYS CA C 13 56.02 0.05 . 1 . . . . A 147 LYS CA . 34758 1 737 . 1 . 1 177 177 LYS CB C 13 35.50 0.05 . 1 . . . . A 147 LYS CB . 34758 1 738 . 1 . 1 177 177 LYS N N 15 116.76 0.05 . 1 . . . . A 147 LYS N . 34758 1 739 . 1 . 1 178 178 VAL H H 1 8.08 0.05 . 1 . . . . A 148 VAL H . 34758 1 740 . 1 . 1 178 178 VAL HG21 H 1 0.17 0.05 . 1 . . . . A 148 VAL HG21 . 34758 1 741 . 1 . 1 178 178 VAL HG22 H 1 0.17 0.05 . 1 . . . . A 148 VAL HG22 . 34758 1 742 . 1 . 1 178 178 VAL HG23 H 1 0.17 0.05 . 1 . . . . A 148 VAL HG23 . 34758 1 743 . 1 . 1 178 178 VAL C C 13 174.18 0.05 . 1 . . . . A 148 VAL C . 34758 1 744 . 1 . 1 178 178 VAL CA C 13 61.91 0.05 . 1 . . . . A 148 VAL CA . 34758 1 745 . 1 . 1 178 178 VAL CB C 13 35.59 0.05 . 1 . . . . A 148 VAL CB . 34758 1 746 . 1 . 1 178 178 VAL CG2 C 13 23.04 0.05 . 1 . . . . A 148 VAL CG2 . 34758 1 747 . 1 . 1 178 178 VAL N N 15 125.74 0.05 . 1 . . . . A 148 VAL N . 34758 1 748 . 1 . 1 179 179 THR H H 1 9.10 0.05 . 1 . . . . A 149 THR H . 34758 1 749 . 1 . 1 179 179 THR HG21 H 1 1.49 0.05 . 1 . . . . A 149 THR HG21 . 34758 1 750 . 1 . 1 179 179 THR HG22 H 1 1.49 0.05 . 1 . . . . A 149 THR HG22 . 34758 1 751 . 1 . 1 179 179 THR HG23 H 1 1.49 0.05 . 1 . . . . A 149 THR HG23 . 34758 1 752 . 1 . 1 179 179 THR C C 13 173.46 0.05 . 1 . . . . A 149 THR C . 34758 1 753 . 1 . 1 179 179 THR CA C 13 61.85 0.05 . 1 . . . . A 149 THR CA . 34758 1 754 . 1 . 1 179 179 THR CB C 13 71.12 0.05 . 1 . . . . A 149 THR CB . 34758 1 755 . 1 . 1 179 179 THR CG2 C 13 21.57 0.05 . 1 . . . . A 149 THR CG2 . 34758 1 756 . 1 . 1 179 179 THR N N 15 124.69 0.05 . 1 . . . . A 149 THR N . 34758 1 757 . 1 . 1 180 180 VAL H H 1 10.52 0.05 . 1 . . . . A 150 VAL H . 34758 1 758 . 1 . 1 180 180 VAL HG21 H 1 0.84 0.05 . 1 . . . . A 150 VAL HG21 . 34758 1 759 . 1 . 1 180 180 VAL HG22 H 1 0.84 0.05 . 1 . . . . A 150 VAL HG22 . 34758 1 760 . 1 . 1 180 180 VAL HG23 H 1 0.84 0.05 . 1 . . . . A 150 VAL HG23 . 34758 1 761 . 1 . 1 180 180 VAL C C 13 174.58 0.05 . 1 . . . . A 150 VAL C . 34758 1 762 . 1 . 1 180 180 VAL CA C 13 61.42 0.05 . 1 . . . . A 150 VAL CA . 34758 1 763 . 1 . 1 180 180 VAL CB C 13 34.67 0.05 . 1 . . . . A 150 VAL CB . 34758 1 764 . 1 . 1 180 180 VAL CG2 C 13 22.49 0.05 . 1 . . . . A 150 VAL CG2 . 34758 1 765 . 1 . 1 180 180 VAL N N 15 128.19 0.05 . 1 . . . . A 150 VAL N . 34758 1 766 . 1 . 1 181 181 ILE H H 1 9.65 0.05 . 1 . . . . A 151 ILE H . 34758 1 767 . 1 . 1 181 181 ILE HD11 H 1 0.91 0.05 . 1 . . . . A 151 ILE HD11 . 34758 1 768 . 1 . 1 181 181 ILE HD12 H 1 0.91 0.05 . 1 . . . . A 151 ILE HD12 . 34758 1 769 . 1 . 1 181 181 ILE HD13 H 1 0.91 0.05 . 1 . . . . A 151 ILE HD13 . 34758 1 770 . 1 . 1 181 181 ILE C C 13 175.62 0.05 . 1 . . . . A 151 ILE C . 34758 1 771 . 1 . 1 181 181 ILE CA C 13 59.22 0.05 . 1 . . . . A 151 ILE CA . 34758 1 772 . 1 . 1 181 181 ILE CB C 13 39.48 0.05 . 1 . . . . A 151 ILE CB . 34758 1 773 . 1 . 1 181 181 ILE CD1 C 13 13.18 0.05 . 1 . . . . A 151 ILE CD1 . 34758 1 774 . 1 . 1 181 181 ILE N N 15 128.45 0.05 . 1 . . . . A 151 ILE N . 34758 1 775 . 1 . 1 182 182 THR H H 1 9.20 0.05 . 1 . . . . A 152 THR H . 34758 1 776 . 1 . 1 182 182 THR HG21 H 1 1.43 0.05 . 1 . . . . A 152 THR HG21 . 34758 1 777 . 1 . 1 182 182 THR HG22 H 1 1.43 0.05 . 1 . . . . A 152 THR HG22 . 34758 1 778 . 1 . 1 182 182 THR HG23 H 1 1.43 0.05 . 1 . . . . A 152 THR HG23 . 34758 1 779 . 1 . 1 182 182 THR C C 13 169.69 0.05 . 1 . . . . A 152 THR C . 34758 1 780 . 1 . 1 182 182 THR CA C 13 59.96 0.05 . 1 . . . . A 152 THR CA . 34758 1 781 . 1 . 1 182 182 THR CB C 13 71.58 0.05 . 1 . . . . A 152 THR CB . 34758 1 782 . 1 . 1 182 182 THR CG2 C 13 19.74 0.05 . 1 . . . . A 152 THR CG2 . 34758 1 783 . 1 . 1 182 182 THR N N 15 121.87 0.05 . 1 . . . . A 152 THR N . 34758 1 784 . 1 . 1 183 183 LYS H H 1 8.94 0.05 . 1 . . . . A 153 LYS H . 34758 1 785 . 1 . 1 183 183 LYS C C 13 172.42 0.05 . 1 . . . . A 153 LYS C . 34758 1 786 . 1 . 1 183 183 LYS CA C 13 55.06 0.05 . 1 . . . . A 153 LYS CA . 34758 1 787 . 1 . 1 183 183 LYS CB C 13 37.04 0.05 . 1 . . . . A 153 LYS CB . 34758 1 788 . 1 . 1 183 183 LYS N N 15 127.24 0.05 . 1 . . . . A 153 LYS N . 34758 1 789 . 1 . 1 184 184 HIS H H 1 9.73 0.05 . 1 . . . . A 154 HIS H . 34758 1 790 . 1 . 1 184 184 HIS C C 13 176.68 0.05 . 1 . . . . A 154 HIS C . 34758 1 791 . 1 . 1 184 184 HIS CA C 13 54.36 0.05 . 1 . . . . A 154 HIS CA . 34758 1 792 . 1 . 1 184 184 HIS N N 15 131.65 0.05 . 1 . . . . A 154 HIS N . 34758 1 793 . 1 . 1 187 187 ASP C C 13 178.77 0.05 . 1 . . . . A 157 ASP C . 34758 1 794 . 1 . 1 187 187 ASP CA C 13 52.75 0.05 . 1 . . . . A 157 ASP CA . 34758 1 795 . 1 . 1 187 187 ASP CB C 13 46.01 0.05 . 1 . . . . A 157 ASP CB . 34758 1 796 . 1 . 1 188 188 GLU H H 1 9.38 0.05 . 1 . . . . A 158 GLU H . 34758 1 797 . 1 . 1 188 188 GLU C C 13 173.12 0.05 . 1 . . . . A 158 GLU C . 34758 1 798 . 1 . 1 188 188 GLU CA C 13 54.59 0.05 . 1 . . . . A 158 GLU CA . 34758 1 799 . 1 . 1 188 188 GLU CB C 13 30.81 0.05 . 1 . . . . A 158 GLU CB . 34758 1 800 . 1 . 1 188 188 GLU N N 15 117.63 0.05 . 1 . . . . A 158 GLU N . 34758 1 801 . 1 . 1 189 189 GLN H H 1 8.16 0.05 . 1 . . . . A 159 GLN H . 34758 1 802 . 1 . 1 189 189 GLN C C 13 176.30 0.05 . 1 . . . . A 159 GLN C . 34758 1 803 . 1 . 1 189 189 GLN CA C 13 56.25 0.05 . 1 . . . . A 159 GLN CA . 34758 1 804 . 1 . 1 189 189 GLN CB C 13 30.83 0.05 . 1 . . . . A 159 GLN CB . 34758 1 805 . 1 . 1 189 189 GLN N N 15 119.34 0.05 . 1 . . . . A 159 GLN N . 34758 1 806 . 1 . 1 190 190 TYR H H 1 8.71 0.05 . 1 . . . . A 160 TYR H . 34758 1 807 . 1 . 1 190 190 TYR C C 13 173.88 0.05 . 1 . . . . A 160 TYR C . 34758 1 808 . 1 . 1 190 190 TYR CA C 13 58.59 0.05 . 1 . . . . A 160 TYR CA . 34758 1 809 . 1 . 1 190 190 TYR CB C 13 44.64 0.05 . 1 . . . . A 160 TYR CB . 34758 1 810 . 1 . 1 190 190 TYR N N 15 124.23 0.05 . 1 . . . . A 160 TYR N . 34758 1 811 . 1 . 1 191 191 ALA H H 1 9.34 0.05 . 1 . . . . A 161 ALA H . 34758 1 812 . 1 . 1 191 191 ALA HB1 H 1 1.32 0.05 . 1 . . . . A 161 ALA HB1 . 34758 1 813 . 1 . 1 191 191 ALA HB2 H 1 1.32 0.05 . 1 . . . . A 161 ALA HB2 . 34758 1 814 . 1 . 1 191 191 ALA HB3 H 1 1.32 0.05 . 1 . . . . A 161 ALA HB3 . 34758 1 815 . 1 . 1 191 191 ALA C C 13 176.14 0.05 . 1 . . . . A 161 ALA C . 34758 1 816 . 1 . 1 191 191 ALA CA C 13 50.75 0.05 . 1 . . . . A 161 ALA CA . 34758 1 817 . 1 . 1 191 191 ALA CB C 13 22.07 0.05 . 1 . . . . A 161 ALA CB . 34758 1 818 . 1 . 1 191 191 ALA N N 15 119.64 0.05 . 1 . . . . A 161 ALA N . 34758 1 819 . 1 . 1 192 192 TRP H H 1 10.39 0.05 . 1 . . . . A 162 TRP H . 34758 1 820 . 1 . 1 192 192 TRP C C 13 176.27 0.05 . 1 . . . . A 162 TRP C . 34758 1 821 . 1 . 1 192 192 TRP CA C 13 55.27 0.05 . 1 . . . . A 162 TRP CA . 34758 1 822 . 1 . 1 192 192 TRP CB C 13 35.60 0.05 . 1 . . . . A 162 TRP CB . 34758 1 823 . 1 . 1 192 192 TRP N N 15 130.02 0.05 . 1 . . . . A 162 TRP N . 34758 1 824 . 1 . 1 193 193 GLU H H 1 8.68 0.05 . 1 . . . . A 163 GLU H . 34758 1 825 . 1 . 1 193 193 GLU C C 13 175.35 0.05 . 1 . . . . A 163 GLU C . 34758 1 826 . 1 . 1 193 193 GLU CA C 13 56.62 0.05 . 1 . . . . A 163 GLU CA . 34758 1 827 . 1 . 1 193 193 GLU CB C 13 34.60 0.05 . 1 . . . . A 163 GLU CB . 34758 1 828 . 1 . 1 193 193 GLU N N 15 126.16 0.05 . 1 . . . . A 163 GLU N . 34758 1 829 . 1 . 1 194 194 SER H H 1 8.27 0.05 . 1 . . . . A 164 SER H . 34758 1 830 . 1 . 1 194 194 SER C C 13 177.20 0.05 . 1 . . . . A 164 SER C . 34758 1 831 . 1 . 1 194 194 SER CA C 13 59.64 0.05 . 1 . . . . A 164 SER CA . 34758 1 832 . 1 . 1 194 194 SER CB C 13 66.38 0.05 . 1 . . . . A 164 SER CB . 34758 1 833 . 1 . 1 194 194 SER N N 15 113.26 0.05 . 1 . . . . A 164 SER N . 34758 1 834 . 1 . 1 195 195 SER C C 13 173.57 0.05 . 1 . . . . A 165 SER C . 34758 1 835 . 1 . 1 195 195 SER CA C 13 58.25 0.05 . 1 . . . . A 165 SER CA . 34758 1 836 . 1 . 1 195 195 SER CB C 13 62.81 0.05 . 1 . . . . A 165 SER CB . 34758 1 837 . 1 . 1 196 196 ALA H H 1 9.13 0.05 . 1 . . . . A 166 ALA H . 34758 1 838 . 1 . 1 196 196 ALA HB1 H 1 1.26 0.05 . 1 . . . . A 166 ALA HB1 . 34758 1 839 . 1 . 1 196 196 ALA HB2 H 1 1.26 0.05 . 1 . . . . A 166 ALA HB2 . 34758 1 840 . 1 . 1 196 196 ALA HB3 H 1 1.26 0.05 . 1 . . . . A 166 ALA HB3 . 34758 1 841 . 1 . 1 196 196 ALA C C 13 176.98 0.05 . 1 . . . . A 166 ALA C . 34758 1 842 . 1 . 1 196 196 ALA CA C 13 53.83 0.05 . 1 . . . . A 166 ALA CA . 34758 1 843 . 1 . 1 196 196 ALA CB C 13 17.01 0.05 . 1 . . . . A 166 ALA CB . 34758 1 844 . 1 . 1 196 196 ALA N N 15 119.55 0.05 . 1 . . . . A 166 ALA N . 34758 1 845 . 1 . 1 197 197 GLY H H 1 8.49 0.05 . 1 . . . . A 167 GLY H . 34758 1 846 . 1 . 1 197 197 GLY C C 13 175.94 0.05 . 1 . . . . A 167 GLY C . 34758 1 847 . 1 . 1 197 197 GLY CA C 13 46.14 0.05 . 1 . . . . A 167 GLY CA . 34758 1 848 . 1 . 1 197 197 GLY N N 15 106.76 0.05 . 1 . . . . A 167 GLY N . 34758 1 849 . 1 . 1 198 198 GLY H H 1 8.52 0.05 . 1 . . . . A 168 GLY H . 34758 1 850 . 1 . 1 198 198 GLY C C 13 174.80 0.05 . 1 . . . . A 168 GLY C . 34758 1 851 . 1 . 1 198 198 GLY CA C 13 46.29 0.05 . 1 . . . . A 168 GLY CA . 34758 1 852 . 1 . 1 198 198 GLY N N 15 106.26 0.05 . 1 . . . . A 168 GLY N . 34758 1 853 . 1 . 1 199 199 SER H H 1 7.81 0.05 . 1 . . . . A 169 SER H . 34758 1 854 . 1 . 1 199 199 SER C C 13 171.97 0.05 . 1 . . . . A 169 SER C . 34758 1 855 . 1 . 1 199 199 SER CA C 13 57.10 0.05 . 1 . . . . A 169 SER CA . 34758 1 856 . 1 . 1 199 199 SER CB C 13 67.30 0.05 . 1 . . . . A 169 SER CB . 34758 1 857 . 1 . 1 199 199 SER N N 15 115.37 0.05 . 1 . . . . A 169 SER N . 34758 1 858 . 1 . 1 200 200 PHE H H 1 8.82 0.05 . 1 . . . . A 170 PHE H . 34758 1 859 . 1 . 1 200 200 PHE C C 13 172.66 0.05 . 1 . . . . A 170 PHE C . 34758 1 860 . 1 . 1 200 200 PHE CA C 13 55.18 0.05 . 1 . . . . A 170 PHE CA . 34758 1 861 . 1 . 1 200 200 PHE CB C 13 41.89 0.05 . 1 . . . . A 170 PHE CB . 34758 1 862 . 1 . 1 200 200 PHE N N 15 119.35 0.05 . 1 . . . . A 170 PHE N . 34758 1 863 . 1 . 1 201 201 THR H H 1 8.81 0.05 . 1 . . . . A 171 THR H . 34758 1 864 . 1 . 1 201 201 THR HG21 H 1 1.11 0.05 . 1 . . . . A 171 THR HG21 . 34758 1 865 . 1 . 1 201 201 THR HG22 H 1 1.11 0.05 . 1 . . . . A 171 THR HG22 . 34758 1 866 . 1 . 1 201 201 THR HG23 H 1 1.11 0.05 . 1 . . . . A 171 THR HG23 . 34758 1 867 . 1 . 1 201 201 THR C C 13 174.98 0.05 . 1 . . . . A 171 THR C . 34758 1 868 . 1 . 1 201 201 THR CA C 13 58.96 0.05 . 1 . . . . A 171 THR CA . 34758 1 869 . 1 . 1 201 201 THR CB C 13 72.95 0.05 . 1 . . . . A 171 THR CB . 34758 1 870 . 1 . 1 201 201 THR CG2 C 13 21.60 0.05 . 1 . . . . A 171 THR CG2 . 34758 1 871 . 1 . 1 201 201 THR N N 15 109.21 0.05 . 1 . . . . A 171 THR N . 34758 1 872 . 1 . 1 202 202 VAL H H 1 8.91 0.05 . 1 . . . . A 172 VAL H . 34758 1 873 . 1 . 1 202 202 VAL HG21 H 1 1.25 0.05 . 1 . . . . A 172 VAL HG21 . 34758 1 874 . 1 . 1 202 202 VAL HG22 H 1 1.25 0.05 . 1 . . . . A 172 VAL HG22 . 34758 1 875 . 1 . 1 202 202 VAL HG23 H 1 1.25 0.05 . 1 . . . . A 172 VAL HG23 . 34758 1 876 . 1 . 1 202 202 VAL C C 13 174.90 0.05 . 1 . . . . A 172 VAL C . 34758 1 877 . 1 . 1 202 202 VAL CA C 13 61.95 0.05 . 1 . . . . A 172 VAL CA . 34758 1 878 . 1 . 1 202 202 VAL CB C 13 36.62 0.05 . 1 . . . . A 172 VAL CB . 34758 1 879 . 1 . 1 202 202 VAL CG2 C 13 23.44 0.05 . 1 . . . . A 172 VAL CG2 . 34758 1 880 . 1 . 1 202 202 VAL N N 15 117.82 0.05 . 1 . . . . A 172 VAL N . 34758 1 881 . 1 . 1 203 203 ARG H H 1 9.13 0.05 . 1 . . . . A 173 ARG H . 34758 1 882 . 1 . 1 203 203 ARG C C 13 175.70 0.05 . 1 . . . . A 173 ARG C . 34758 1 883 . 1 . 1 203 203 ARG CA C 13 54.17 0.05 . 1 . . . . A 173 ARG CA . 34758 1 884 . 1 . 1 203 203 ARG CB C 13 34.56 0.05 . 1 . . . . A 173 ARG CB . 34758 1 885 . 1 . 1 203 203 ARG N N 15 124.02 0.05 . 1 . . . . A 173 ARG N . 34758 1 886 . 1 . 1 204 204 THR H H 1 9.12 0.05 . 1 . . . . A 174 THR H . 34758 1 887 . 1 . 1 204 204 THR HG21 H 1 1.20 0.05 . 1 . . . . A 174 THR HG21 . 34758 1 888 . 1 . 1 204 204 THR HG22 H 1 1.20 0.05 . 1 . . . . A 174 THR HG22 . 34758 1 889 . 1 . 1 204 204 THR HG23 H 1 1.20 0.05 . 1 . . . . A 174 THR HG23 . 34758 1 890 . 1 . 1 204 204 THR C C 13 174.63 0.05 . 1 . . . . A 174 THR C . 34758 1 891 . 1 . 1 204 204 THR CA C 13 64.03 0.05 . 1 . . . . A 174 THR CA . 34758 1 892 . 1 . 1 204 204 THR CB C 13 69.13 0.05 . 1 . . . . A 174 THR CB . 34758 1 893 . 1 . 1 204 204 THR CG2 C 13 22.58 0.05 . 1 . . . . A 174 THR CG2 . 34758 1 894 . 1 . 1 204 204 THR N N 15 118.30 0.05 . 1 . . . . A 174 THR N . 34758 1 895 . 1 . 1 205 205 ASP H H 1 8.67 0.05 . 1 . . . . A 175 ASP H . 34758 1 896 . 1 . 1 205 205 ASP C C 13 176.48 0.05 . 1 . . . . A 175 ASP C . 34758 1 897 . 1 . 1 205 205 ASP CA C 13 54.78 0.05 . 1 . . . . A 175 ASP CA . 34758 1 898 . 1 . 1 205 205 ASP CB C 13 43.97 0.05 . 1 . . . . A 175 ASP CB . 34758 1 899 . 1 . 1 205 205 ASP N N 15 126.32 0.05 . 1 . . . . A 175 ASP N . 34758 1 900 . 1 . 1 206 206 THR H H 1 8.06 0.05 . 1 . . . . A 176 THR H . 34758 1 901 . 1 . 1 206 206 THR HG21 H 1 1.17 0.05 . 1 . . . . A 176 THR HG21 . 34758 1 902 . 1 . 1 206 206 THR HG22 H 1 1.17 0.05 . 1 . . . . A 176 THR HG22 . 34758 1 903 . 1 . 1 206 206 THR HG23 H 1 1.17 0.05 . 1 . . . . A 176 THR HG23 . 34758 1 904 . 1 . 1 206 206 THR C C 13 175.30 0.05 . 1 . . . . A 176 THR C . 34758 1 905 . 1 . 1 206 206 THR CA C 13 60.96 0.05 . 1 . . . . A 176 THR CA . 34758 1 906 . 1 . 1 206 206 THR CB C 13 69.05 0.05 . 1 . . . . A 176 THR CB . 34758 1 907 . 1 . 1 206 206 THR CG2 C 13 21.52 0.05 . 1 . . . . A 176 THR CG2 . 34758 1 908 . 1 . 1 206 206 THR N N 15 115.67 0.05 . 1 . . . . A 176 THR N . 34758 1 909 . 1 . 1 207 207 GLY H H 1 7.82 0.05 . 1 . . . . A 177 GLY H . 34758 1 910 . 1 . 1 207 207 GLY C C 13 173.19 0.05 . 1 . . . . A 177 GLY C . 34758 1 911 . 1 . 1 207 207 GLY CA C 13 44.49 0.05 . 1 . . . . A 177 GLY CA . 34758 1 912 . 1 . 1 207 207 GLY N N 15 109.97 0.05 . 1 . . . . A 177 GLY N . 34758 1 913 . 1 . 1 208 208 GLU H H 1 8.29 0.05 . 1 . . . . A 178 GLU H . 34758 1 914 . 1 . 1 208 208 GLU N N 15 120.81 0.05 . 1 . . . . A 178 GLU N . 34758 1 915 . 1 . 1 209 209 PRO C C 13 178.17 0.05 . 1 . . . . A 179 PRO C . 34758 1 916 . 1 . 1 209 209 PRO CA C 13 63.49 0.05 . 1 . . . . A 179 PRO CA . 34758 1 917 . 1 . 1 209 209 PRO CB C 13 32.51 0.05 . 1 . . . . A 179 PRO CB . 34758 1 918 . 1 . 1 210 210 MET H H 1 9.47 0.05 . 1 . . . . A 180 MET H . 34758 1 919 . 1 . 1 210 210 MET HE1 H 1 1.82 0.05 . 1 . . . . A 180 MET HE1 . 34758 1 920 . 1 . 1 210 210 MET HE2 H 1 1.82 0.05 . 1 . . . . A 180 MET HE2 . 34758 1 921 . 1 . 1 210 210 MET HE3 H 1 1.82 0.05 . 1 . . . . A 180 MET HE3 . 34758 1 922 . 1 . 1 210 210 MET C C 13 176.96 0.05 . 1 . . . . A 180 MET C . 34758 1 923 . 1 . 1 210 210 MET CA C 13 55.17 0.05 . 1 . . . . A 180 MET CA . 34758 1 924 . 1 . 1 210 210 MET CB C 13 35.11 0.05 . 1 . . . . A 180 MET CB . 34758 1 925 . 1 . 1 210 210 MET CE C 13 16.73 0.05 . 1 . . . . A 180 MET CE . 34758 1 926 . 1 . 1 210 210 MET N N 15 123.81 0.05 . 1 . . . . A 180 MET N . 34758 1 927 . 1 . 1 211 211 GLY H H 1 8.63 0.05 . 1 . . . . A 181 GLY H . 34758 1 928 . 1 . 1 211 211 GLY C C 13 174.15 0.05 . 1 . . . . A 181 GLY C . 34758 1 929 . 1 . 1 211 211 GLY CA C 13 47.40 0.05 . 1 . . . . A 181 GLY CA . 34758 1 930 . 1 . 1 211 211 GLY N N 15 111.29 0.05 . 1 . . . . A 181 GLY N . 34758 1 931 . 1 . 1 212 212 ARG H H 1 7.48 0.05 . 1 . . . . A 182 ARG H . 34758 1 932 . 1 . 1 212 212 ARG C C 13 174.85 0.05 . 1 . . . . A 182 ARG C . 34758 1 933 . 1 . 1 212 212 ARG CA C 13 57.28 0.05 . 1 . . . . A 182 ARG CA . 34758 1 934 . 1 . 1 212 212 ARG CB C 13 30.72 0.05 . 1 . . . . A 182 ARG CB . 34758 1 935 . 1 . 1 212 212 ARG N N 15 119.96 0.05 . 1 . . . . A 182 ARG N . 34758 1 936 . 1 . 1 213 213 GLY H H 1 9.20 0.05 . 1 . . . . A 183 GLY H . 34758 1 937 . 1 . 1 213 213 GLY C C 13 172.65 0.05 . 1 . . . . A 183 GLY C . 34758 1 938 . 1 . 1 213 213 GLY CA C 13 44.38 0.05 . 1 . . . . A 183 GLY CA . 34758 1 939 . 1 . 1 213 213 GLY N N 15 115.32 0.05 . 1 . . . . A 183 GLY N . 34758 1 940 . 1 . 1 214 214 THR H H 1 7.76 0.05 . 1 . . . . A 184 THR H . 34758 1 941 . 1 . 1 214 214 THR HG21 H 1 1.04 0.05 . 1 . . . . A 184 THR HG21 . 34758 1 942 . 1 . 1 214 214 THR HG22 H 1 1.04 0.05 . 1 . . . . A 184 THR HG22 . 34758 1 943 . 1 . 1 214 214 THR HG23 H 1 1.04 0.05 . 1 . . . . A 184 THR HG23 . 34758 1 944 . 1 . 1 214 214 THR C C 13 171.24 0.05 . 1 . . . . A 184 THR C . 34758 1 945 . 1 . 1 214 214 THR CA C 13 62.41 0.05 . 1 . . . . A 184 THR CA . 34758 1 946 . 1 . 1 214 214 THR CB C 13 72.83 0.05 . 1 . . . . A 184 THR CB . 34758 1 947 . 1 . 1 214 214 THR CG2 C 13 23.13 0.05 . 1 . . . . A 184 THR CG2 . 34758 1 948 . 1 . 1 214 214 THR N N 15 115.80 0.05 . 1 . . . . A 184 THR N . 34758 1 949 . 1 . 1 215 215 LYS H H 1 10.06 0.05 . 1 . . . . A 185 LYS H . 34758 1 950 . 1 . 1 215 215 LYS C C 13 173.72 0.05 . 1 . . . . A 185 LYS C . 34758 1 951 . 1 . 1 215 215 LYS CA C 13 54.56 0.05 . 1 . . . . A 185 LYS CA . 34758 1 952 . 1 . 1 215 215 LYS CB C 13 35.74 0.05 . 1 . . . . A 185 LYS CB . 34758 1 953 . 1 . 1 215 215 LYS N N 15 128.13 0.05 . 1 . . . . A 185 LYS N . 34758 1 954 . 1 . 1 216 216 VAL H H 1 9.21 0.05 . 1 . . . . A 186 VAL H . 34758 1 955 . 1 . 1 216 216 VAL HG21 H 1 1.09 0.05 . 1 . . . . A 186 VAL HG21 . 34758 1 956 . 1 . 1 216 216 VAL HG22 H 1 1.09 0.05 . 1 . . . . A 186 VAL HG22 . 34758 1 957 . 1 . 1 216 216 VAL HG23 H 1 1.09 0.05 . 1 . . . . A 186 VAL HG23 . 34758 1 958 . 1 . 1 216 216 VAL C C 13 174.62 0.05 . 1 . . . . A 186 VAL C . 34758 1 959 . 1 . 1 216 216 VAL CA C 13 62.29 0.05 . 1 . . . . A 186 VAL CA . 34758 1 960 . 1 . 1 216 216 VAL CB C 13 33.34 0.05 . 1 . . . . A 186 VAL CB . 34758 1 961 . 1 . 1 216 216 VAL CG2 C 13 21.28 0.05 . 1 . . . . A 186 VAL CG2 . 34758 1 962 . 1 . 1 216 216 VAL N N 15 126.32 0.05 . 1 . . . . A 186 VAL N . 34758 1 963 . 1 . 1 217 217 ILE H H 1 10.01 0.05 . 1 . . . . A 187 ILE H . 34758 1 964 . 1 . 1 217 217 ILE HD11 H 1 0.88 0.05 . 1 . . . . A 187 ILE HD11 . 34758 1 965 . 1 . 1 217 217 ILE HD12 H 1 0.88 0.05 . 1 . . . . A 187 ILE HD12 . 34758 1 966 . 1 . 1 217 217 ILE HD13 H 1 0.88 0.05 . 1 . . . . A 187 ILE HD13 . 34758 1 967 . 1 . 1 217 217 ILE C C 13 175.23 0.05 . 1 . . . . A 187 ILE C . 34758 1 968 . 1 . 1 217 217 ILE CA C 13 61.81 0.05 . 1 . . . . A 187 ILE CA . 34758 1 969 . 1 . 1 217 217 ILE CB C 13 39.71 0.05 . 1 . . . . A 187 ILE CB . 34758 1 970 . 1 . 1 217 217 ILE CD1 C 13 14.62 0.05 . 1 . . . . A 187 ILE CD1 . 34758 1 971 . 1 . 1 217 217 ILE N N 15 127.62 0.05 . 1 . . . . A 187 ILE N . 34758 1 972 . 1 . 1 218 218 LEU H H 1 8.91 0.05 . 1 . . . . A 188 LEU H . 34758 1 973 . 1 . 1 218 218 LEU HD21 H 1 0.57 0.05 . 1 . . . . A 188 LEU HD21 . 34758 1 974 . 1 . 1 218 218 LEU HD22 H 1 0.57 0.05 . 1 . . . . A 188 LEU HD22 . 34758 1 975 . 1 . 1 218 218 LEU HD23 H 1 0.57 0.05 . 1 . . . . A 188 LEU HD23 . 34758 1 976 . 1 . 1 218 218 LEU C C 13 175.59 0.05 . 1 . . . . A 188 LEU C . 34758 1 977 . 1 . 1 218 218 LEU CA C 13 54.03 0.05 . 1 . . . . A 188 LEU CA . 34758 1 978 . 1 . 1 218 218 LEU CB C 13 42.34 0.05 . 1 . . . . A 188 LEU CB . 34758 1 979 . 1 . 1 218 218 LEU CD2 C 13 27.06 0.05 . 1 . . . . A 188 LEU CD2 . 34758 1 980 . 1 . 1 218 218 LEU N N 15 125.64 0.05 . 1 . . . . A 188 LEU N . 34758 1 981 . 1 . 1 219 219 HIS H H 1 8.36 0.05 . 1 . . . . A 189 HIS H . 34758 1 982 . 1 . 1 219 219 HIS C C 13 175.55 0.05 . 1 . . . . A 189 HIS C . 34758 1 983 . 1 . 1 219 219 HIS CA C 13 55.46 0.05 . 1 . . . . A 189 HIS CA . 34758 1 984 . 1 . 1 219 219 HIS CB C 13 28.01 0.05 . 1 . . . . A 189 HIS CB . 34758 1 985 . 1 . 1 219 219 HIS N N 15 124.51 0.05 . 1 . . . . A 189 HIS N . 34758 1 986 . 1 . 1 220 220 LEU H H 1 8.07 0.05 . 1 . . . . A 190 LEU H . 34758 1 987 . 1 . 1 220 220 LEU HD21 H 1 0.60 0.05 . 1 . . . . A 190 LEU HD21 . 34758 1 988 . 1 . 1 220 220 LEU HD22 H 1 0.60 0.05 . 1 . . . . A 190 LEU HD22 . 34758 1 989 . 1 . 1 220 220 LEU HD23 H 1 0.60 0.05 . 1 . . . . A 190 LEU HD23 . 34758 1 990 . 1 . 1 220 220 LEU C C 13 178.08 0.05 . 1 . . . . A 190 LEU C . 34758 1 991 . 1 . 1 220 220 LEU CA C 13 56.06 0.05 . 1 . . . . A 190 LEU CA . 34758 1 992 . 1 . 1 220 220 LEU CB C 13 42.11 0.05 . 1 . . . . A 190 LEU CB . 34758 1 993 . 1 . 1 220 220 LEU CD2 C 13 23.15 0.05 . 1 . . . . A 190 LEU CD2 . 34758 1 994 . 1 . 1 220 220 LEU N N 15 123.47 0.05 . 1 . . . . A 190 LEU N . 34758 1 995 . 1 . 1 221 221 LYS H H 1 8.48 0.05 . 1 . . . . A 191 LYS H . 34758 1 996 . 1 . 1 221 221 LYS C C 13 178.53 0.05 . 1 . . . . A 191 LYS C . 34758 1 997 . 1 . 1 221 221 LYS CA C 13 57.19 0.05 . 1 . . . . A 191 LYS CA . 34758 1 998 . 1 . 1 221 221 LYS CB C 13 34.30 0.05 . 1 . . . . A 191 LYS CB . 34758 1 999 . 1 . 1 221 221 LYS N N 15 120.29 0.05 . 1 . . . . A 191 LYS N . 34758 1 1000 . 1 . 1 222 222 GLU H H 1 9.03 0.05 . 1 . . . . A 192 GLU H . 34758 1 1001 . 1 . 1 222 222 GLU C C 13 176.54 0.05 . 1 . . . . A 192 GLU C . 34758 1 1002 . 1 . 1 222 222 GLU CA C 13 59.91 0.05 . 1 . . . . A 192 GLU CA . 34758 1 1003 . 1 . 1 222 222 GLU CB C 13 29.89 0.05 . 1 . . . . A 192 GLU CB . 34758 1 1004 . 1 . 1 222 222 GLU N N 15 120.45 0.05 . 1 . . . . A 192 GLU N . 34758 1 1005 . 1 . 1 223 223 ASP H H 1 8.40 0.05 . 1 . . . . A 193 ASP H . 34758 1 1006 . 1 . 1 223 223 ASP C C 13 177.61 0.05 . 1 . . . . A 193 ASP C . 34758 1 1007 . 1 . 1 223 223 ASP CA C 13 53.49 0.05 . 1 . . . . A 193 ASP CA . 34758 1 1008 . 1 . 1 223 223 ASP CB C 13 39.66 0.05 . 1 . . . . A 193 ASP CB . 34758 1 1009 . 1 . 1 223 223 ASP N N 15 113.06 0.05 . 1 . . . . A 193 ASP N . 34758 1 1010 . 1 . 1 224 224 GLN H H 1 7.89 0.05 . 1 . . . . A 194 GLN H . 34758 1 1011 . 1 . 1 224 224 GLN C C 13 176.23 0.05 . 1 . . . . A 194 GLN C . 34758 1 1012 . 1 . 1 224 224 GLN CA C 13 54.18 0.05 . 1 . . . . A 194 GLN CA . 34758 1 1013 . 1 . 1 224 224 GLN CB C 13 27.92 0.05 . 1 . . . . A 194 GLN CB . 34758 1 1014 . 1 . 1 224 224 GLN N N 15 118.41 0.05 . 1 . . . . A 194 GLN N . 34758 1 1015 . 1 . 1 225 225 THR H H 1 7.44 0.05 . 1 . . . . A 195 THR H . 34758 1 1016 . 1 . 1 225 225 THR HG21 H 1 1.33 0.05 . 1 . . . . A 195 THR HG21 . 34758 1 1017 . 1 . 1 225 225 THR HG22 H 1 1.33 0.05 . 1 . . . . A 195 THR HG22 . 34758 1 1018 . 1 . 1 225 225 THR HG23 H 1 1.33 0.05 . 1 . . . . A 195 THR HG23 . 34758 1 1019 . 1 . 1 225 225 THR C C 13 177.55 0.05 . 1 . . . . A 195 THR C . 34758 1 1020 . 1 . 1 225 225 THR CA C 13 64.61 0.05 . 1 . . . . A 195 THR CA . 34758 1 1021 . 1 . 1 225 225 THR CB C 13 68.63 0.05 . 1 . . . . A 195 THR CB . 34758 1 1022 . 1 . 1 225 225 THR CG2 C 13 22.23 0.05 . 1 . . . . A 195 THR CG2 . 34758 1 1023 . 1 . 1 225 225 THR N N 15 106.36 0.05 . 1 . . . . A 195 THR N . 34758 1 1024 . 1 . 1 226 226 GLU H H 1 8.89 0.05 . 1 . . . . A 196 GLU H . 34758 1 1025 . 1 . 1 226 226 GLU C C 13 176.79 0.05 . 1 . . . . A 196 GLU C . 34758 1 1026 . 1 . 1 226 226 GLU CA C 13 58.90 0.05 . 1 . . . . A 196 GLU CA . 34758 1 1027 . 1 . 1 226 226 GLU CB C 13 28.81 0.05 . 1 . . . . A 196 GLU CB . 34758 1 1028 . 1 . 1 226 226 GLU N N 15 123.81 0.05 . 1 . . . . A 196 GLU N . 34758 1 1029 . 1 . 1 227 227 TYR H H 1 6.67 0.05 . 1 . . . . A 197 TYR H . 34758 1 1030 . 1 . 1 227 227 TYR C C 13 171.82 0.05 . 1 . . . . A 197 TYR C . 34758 1 1031 . 1 . 1 227 227 TYR CA C 13 59.91 0.05 . 1 . . . . A 197 TYR CA . 34758 1 1032 . 1 . 1 227 227 TYR CB C 13 37.16 0.05 . 1 . . . . A 197 TYR CB . 34758 1 1033 . 1 . 1 227 227 TYR N N 15 114.48 0.05 . 1 . . . . A 197 TYR N . 34758 1 1034 . 1 . 1 228 228 LEU H H 1 7.32 0.05 . 1 . . . . A 198 LEU H . 34758 1 1035 . 1 . 1 228 228 LEU HD21 H 1 0.70 0.05 . 1 . . . . A 198 LEU HD21 . 34758 1 1036 . 1 . 1 228 228 LEU HD22 H 1 0.70 0.05 . 1 . . . . A 198 LEU HD22 . 34758 1 1037 . 1 . 1 228 228 LEU HD23 H 1 0.70 0.05 . 1 . . . . A 198 LEU HD23 . 34758 1 1038 . 1 . 1 228 228 LEU C C 13 176.71 0.05 . 1 . . . . A 198 LEU C . 34758 1 1039 . 1 . 1 228 228 LEU CA C 13 53.43 0.05 . 1 . . . . A 198 LEU CA . 34758 1 1040 . 1 . 1 228 228 LEU CB C 13 42.51 0.05 . 1 . . . . A 198 LEU CB . 34758 1 1041 . 1 . 1 228 228 LEU CD2 C 13 25.14 0.05 . 1 . . . . A 198 LEU CD2 . 34758 1 1042 . 1 . 1 228 228 LEU N N 15 110.87 0.05 . 1 . . . . A 198 LEU N . 34758 1 1043 . 1 . 1 229 229 GLU H H 1 7.33 0.05 . 1 . . . . A 199 GLU H . 34758 1 1044 . 1 . 1 229 229 GLU C C 13 177.28 0.05 . 1 . . . . A 199 GLU C . 34758 1 1045 . 1 . 1 229 229 GLU CA C 13 55.18 0.05 . 1 . . . . A 199 GLU CA . 34758 1 1046 . 1 . 1 229 229 GLU CB C 13 30.05 0.05 . 1 . . . . A 199 GLU CB . 34758 1 1047 . 1 . 1 229 229 GLU N N 15 116.42 0.05 . 1 . . . . A 199 GLU N . 34758 1 1048 . 1 . 1 230 230 GLU H H 1 9.15 0.05 . 1 . . . . A 200 GLU H . 34758 1 1049 . 1 . 1 230 230 GLU C C 13 177.74 0.05 . 1 . . . . A 200 GLU C . 34758 1 1050 . 1 . 1 230 230 GLU CA C 13 60.65 0.05 . 1 . . . . A 200 GLU CA . 34758 1 1051 . 1 . 1 230 230 GLU CB C 13 29.84 0.05 . 1 . . . . A 200 GLU CB . 34758 1 1052 . 1 . 1 230 230 GLU N N 15 126.40 0.05 . 1 . . . . A 200 GLU N . 34758 1 1053 . 1 . 1 231 231 ARG H H 1 8.92 0.05 . 1 . . . . A 201 ARG H . 34758 1 1054 . 1 . 1 231 231 ARG C C 13 178.59 0.05 . 1 . . . . A 201 ARG C . 34758 1 1055 . 1 . 1 231 231 ARG CA C 13 59.74 0.05 . 1 . . . . A 201 ARG CA . 34758 1 1056 . 1 . 1 231 231 ARG CB C 13 29.91 0.05 . 1 . . . . A 201 ARG CB . 34758 1 1057 . 1 . 1 231 231 ARG N N 15 116.06 0.05 . 1 . . . . A 201 ARG N . 34758 1 1058 . 1 . 1 232 232 ARG H H 1 6.78 0.05 . 1 . . . . A 202 ARG H . 34758 1 1059 . 1 . 1 232 232 ARG C C 13 178.33 0.05 . 1 . . . . A 202 ARG C . 34758 1 1060 . 1 . 1 232 232 ARG CA C 13 57.33 0.05 . 1 . . . . A 202 ARG CA . 34758 1 1061 . 1 . 1 232 232 ARG CB C 13 30.73 0.05 . 1 . . . . A 202 ARG CB . 34758 1 1062 . 1 . 1 232 232 ARG N N 15 119.24 0.05 . 1 . . . . A 202 ARG N . 34758 1 1063 . 1 . 1 233 233 ILE H H 1 8.13 0.05 . 1 . . . . A 203 ILE H . 34758 1 1064 . 1 . 1 233 233 ILE HD11 H 1 0.86 0.05 . 1 . . . . A 203 ILE HD11 . 34758 1 1065 . 1 . 1 233 233 ILE HD12 H 1 0.86 0.05 . 1 . . . . A 203 ILE HD12 . 34758 1 1066 . 1 . 1 233 233 ILE HD13 H 1 0.86 0.05 . 1 . . . . A 203 ILE HD13 . 34758 1 1067 . 1 . 1 233 233 ILE C C 13 178.24 0.05 . 1 . . . . A 203 ILE C . 34758 1 1068 . 1 . 1 233 233 ILE CA C 13 66.02 0.05 . 1 . . . . A 203 ILE CA . 34758 1 1069 . 1 . 1 233 233 ILE CB C 13 38.30 0.05 . 1 . . . . A 203 ILE CB . 34758 1 1070 . 1 . 1 233 233 ILE CD1 C 13 14.79 0.05 . 1 . . . . A 203 ILE CD1 . 34758 1 1071 . 1 . 1 233 233 ILE N N 15 117.49 0.05 . 1 . . . . A 203 ILE N . 34758 1 1072 . 1 . 1 234 234 LYS H H 1 8.45 0.05 . 1 . . . . A 204 LYS H . 34758 1 1073 . 1 . 1 234 234 LYS C C 13 179.62 0.05 . 1 . . . . A 204 LYS C . 34758 1 1074 . 1 . 1 234 234 LYS CA C 13 60.72 0.05 . 1 . . . . A 204 LYS CA . 34758 1 1075 . 1 . 1 234 234 LYS CB C 13 32.57 0.05 . 1 . . . . A 204 LYS CB . 34758 1 1076 . 1 . 1 234 234 LYS N N 15 116.57 0.05 . 1 . . . . A 204 LYS N . 34758 1 1077 . 1 . 1 235 235 GLU H H 1 7.73 0.05 . 1 . . . . A 205 GLU H . 34758 1 1078 . 1 . 1 235 235 GLU C C 13 179.19 0.05 . 1 . . . . A 205 GLU C . 34758 1 1079 . 1 . 1 235 235 GLU CA C 13 59.32 0.05 . 1 . . . . A 205 GLU CA . 34758 1 1080 . 1 . 1 235 235 GLU CB C 13 29.50 0.05 . 1 . . . . A 205 GLU CB . 34758 1 1081 . 1 . 1 235 235 GLU N N 15 118.42 0.05 . 1 . . . . A 205 GLU N . 34758 1 1082 . 1 . 1 236 236 ILE H H 1 7.90 0.05 . 1 . . . . A 206 ILE H . 34758 1 1083 . 1 . 1 236 236 ILE HD11 H 1 1.07 0.05 . 1 . . . . A 206 ILE HD11 . 34758 1 1084 . 1 . 1 236 236 ILE HD12 H 1 1.07 0.05 . 1 . . . . A 206 ILE HD12 . 34758 1 1085 . 1 . 1 236 236 ILE HD13 H 1 1.07 0.05 . 1 . . . . A 206 ILE HD13 . 34758 1 1086 . 1 . 1 236 236 ILE C C 13 178.77 0.05 . 1 . . . . A 206 ILE C . 34758 1 1087 . 1 . 1 236 236 ILE CA C 13 65.84 0.05 . 1 . . . . A 206 ILE CA . 34758 1 1088 . 1 . 1 236 236 ILE CB C 13 38.74 0.05 . 1 . . . . A 206 ILE CB . 34758 1 1089 . 1 . 1 236 236 ILE CD1 C 13 15.86 0.05 . 1 . . . . A 206 ILE CD1 . 34758 1 1090 . 1 . 1 236 236 ILE N N 15 120.80 0.05 . 1 . . . . A 206 ILE N . 34758 1 1091 . 1 . 1 237 237 VAL H H 1 8.41 0.05 . 1 . . . . A 207 VAL H . 34758 1 1092 . 1 . 1 237 237 VAL HG21 H 1 0.90 0.05 . 1 . . . . A 207 VAL HG21 . 34758 1 1093 . 1 . 1 237 237 VAL HG22 H 1 0.90 0.05 . 1 . . . . A 207 VAL HG22 . 34758 1 1094 . 1 . 1 237 237 VAL HG23 H 1 0.90 0.05 . 1 . . . . A 207 VAL HG23 . 34758 1 1095 . 1 . 1 237 237 VAL C C 13 178.64 0.05 . 1 . . . . A 207 VAL C . 34758 1 1096 . 1 . 1 237 237 VAL CA C 13 67.19 0.05 . 1 . . . . A 207 VAL CA . 34758 1 1097 . 1 . 1 237 237 VAL CB C 13 32.05 0.05 . 1 . . . . A 207 VAL CB . 34758 1 1098 . 1 . 1 237 237 VAL CG2 C 13 23.59 0.05 . 1 . . . . A 207 VAL CG2 . 34758 1 1099 . 1 . 1 237 237 VAL N N 15 120.38 0.05 . 1 . . . . A 207 VAL N . 34758 1 1100 . 1 . 1 238 238 LYS H H 1 7.94 0.05 . 1 . . . . A 208 LYS H . 34758 1 1101 . 1 . 1 238 238 LYS C C 13 178.19 0.05 . 1 . . . . A 208 LYS C . 34758 1 1102 . 1 . 1 238 238 LYS CA C 13 59.07 0.05 . 1 . . . . A 208 LYS CA . 34758 1 1103 . 1 . 1 238 238 LYS CB C 13 32.42 0.05 . 1 . . . . A 208 LYS CB . 34758 1 1104 . 1 . 1 238 238 LYS N N 15 118.65 0.05 . 1 . . . . A 208 LYS N . 34758 1 1105 . 1 . 1 239 239 LYS H H 1 7.52 0.05 . 1 . . . . A 209 LYS H . 34758 1 1106 . 1 . 1 239 239 LYS C C 13 178.60 0.05 . 1 . . . . A 209 LYS C . 34758 1 1107 . 1 . 1 239 239 LYS CA C 13 58.95 0.05 . 1 . . . . A 209 LYS CA . 34758 1 1108 . 1 . 1 239 239 LYS CB C 13 33.63 0.05 . 1 . . . . A 209 LYS CB . 34758 1 1109 . 1 . 1 239 239 LYS N N 15 116.22 0.05 . 1 . . . . A 209 LYS N . 34758 1 1110 . 1 . 1 240 240 HIS H H 1 7.83 0.05 . 1 . . . . A 210 HIS H . 34758 1 1111 . 1 . 1 240 240 HIS C C 13 177.69 0.05 . 1 . . . . A 210 HIS C . 34758 1 1112 . 1 . 1 240 240 HIS CA C 13 57.44 0.05 . 1 . . . . A 210 HIS CA . 34758 1 1113 . 1 . 1 240 240 HIS CB C 13 33.64 0.05 . 1 . . . . A 210 HIS CB . 34758 1 1114 . 1 . 1 240 240 HIS N N 15 113.17 0.05 . 1 . . . . A 210 HIS N . 34758 1 1115 . 1 . 1 241 241 SER H H 1 8.19 0.05 . 1 . . . . A 211 SER H . 34758 1 1116 . 1 . 1 241 241 SER C C 13 175.75 0.05 . 1 . . . . A 211 SER C . 34758 1 1117 . 1 . 1 241 241 SER CA C 13 59.17 0.05 . 1 . . . . A 211 SER CA . 34758 1 1118 . 1 . 1 241 241 SER CB C 13 63.57 0.05 . 1 . . . . A 211 SER CB . 34758 1 1119 . 1 . 1 241 241 SER N N 15 115.23 0.05 . 1 . . . . A 211 SER N . 34758 1 1120 . 1 . 1 242 242 GLN C C 13 176.67 0.05 . 1 . . . . A 212 GLN C . 34758 1 1121 . 1 . 1 242 242 GLN CA C 13 58.09 0.05 . 1 . . . . A 212 GLN CA . 34758 1 1122 . 1 . 1 242 242 GLN CB C 13 28.42 0.05 . 1 . . . . A 212 GLN CB . 34758 1 1123 . 1 . 1 243 243 PHE H H 1 8.12 0.05 . 1 . . . . A 213 PHE H . 34758 1 1124 . 1 . 1 243 243 PHE C C 13 175.75 0.05 . 1 . . . . A 213 PHE C . 34758 1 1125 . 1 . 1 243 243 PHE CA C 13 57.05 0.05 . 1 . . . . A 213 PHE CA . 34758 1 1126 . 1 . 1 243 243 PHE CB C 13 38.04 0.05 . 1 . . . . A 213 PHE CB . 34758 1 1127 . 1 . 1 243 243 PHE N N 15 115.36 0.05 . 1 . . . . A 213 PHE N . 34758 1 1128 . 1 . 1 244 244 ILE H H 1 7.16 0.05 . 1 . . . . A 214 ILE H . 34758 1 1129 . 1 . 1 244 244 ILE HD11 H 1 0.85 0.05 . 1 . . . . A 214 ILE HD11 . 34758 1 1130 . 1 . 1 244 244 ILE HD12 H 1 0.85 0.05 . 1 . . . . A 214 ILE HD12 . 34758 1 1131 . 1 . 1 244 244 ILE HD13 H 1 0.85 0.05 . 1 . . . . A 214 ILE HD13 . 34758 1 1132 . 1 . 1 244 244 ILE C C 13 177.30 0.05 . 1 . . . . A 214 ILE C . 34758 1 1133 . 1 . 1 244 244 ILE CA C 13 59.64 0.05 . 1 . . . . A 214 ILE CA . 34758 1 1134 . 1 . 1 244 244 ILE CB C 13 36.89 0.05 . 1 . . . . A 214 ILE CB . 34758 1 1135 . 1 . 1 244 244 ILE CD1 C 13 10.35 0.05 . 1 . . . . A 214 ILE CD1 . 34758 1 1136 . 1 . 1 244 244 ILE N N 15 121.40 0.05 . 1 . . . . A 214 ILE N . 34758 1 1137 . 1 . 1 245 245 GLY H H 1 9.19 0.05 . 1 . . . . A 215 GLY H . 34758 1 1138 . 1 . 1 245 245 GLY C C 13 173.18 0.05 . 1 . . . . A 215 GLY C . 34758 1 1139 . 1 . 1 245 245 GLY CA C 13 46.19 0.05 . 1 . . . . A 215 GLY CA . 34758 1 1140 . 1 . 1 245 245 GLY N N 15 115.11 0.05 . 1 . . . . A 215 GLY N . 34758 1 1141 . 1 . 1 246 246 TYR H H 1 6.77 0.05 . 1 . . . . A 216 TYR H . 34758 1 1142 . 1 . 1 246 246 TYR C C 13 172.28 0.05 . 1 . . . . A 216 TYR C . 34758 1 1143 . 1 . 1 246 246 TYR CA C 13 56.02 0.05 . 1 . . . . A 216 TYR CA . 34758 1 1144 . 1 . 1 246 246 TYR CB C 13 40.76 0.05 . 1 . . . . A 216 TYR CB . 34758 1 1145 . 1 . 1 246 246 TYR N N 15 117.52 0.05 . 1 . . . . A 216 TYR N . 34758 1 1146 . 1 . 1 247 247 PRO CA C 13 63.69 0.05 . 1 . . . . A 217 PRO CA . 34758 1 1147 . 1 . 1 247 247 PRO CB C 13 32.41 0.05 . 1 . . . . A 217 PRO CB . 34758 1 1148 . 1 . 1 248 248 ILE H H 1 8.08 0.05 . 1 . . . . A 218 ILE H . 34758 1 1149 . 1 . 1 248 248 ILE HD11 H 1 0.91 0.05 . 1 . . . . A 218 ILE HD11 . 34758 1 1150 . 1 . 1 248 248 ILE HD12 H 1 0.91 0.05 . 1 . . . . A 218 ILE HD12 . 34758 1 1151 . 1 . 1 248 248 ILE HD13 H 1 0.91 0.05 . 1 . . . . A 218 ILE HD13 . 34758 1 1152 . 1 . 1 248 248 ILE C C 13 176.56 0.05 . 1 . . . . A 218 ILE C . 34758 1 1153 . 1 . 1 248 248 ILE CA C 13 60.44 0.05 . 1 . . . . A 218 ILE CA . 34758 1 1154 . 1 . 1 248 248 ILE CB C 13 40.28 0.05 . 1 . . . . A 218 ILE CB . 34758 1 1155 . 1 . 1 248 248 ILE CD1 C 13 15.00 0.05 . 1 . . . . A 218 ILE CD1 . 34758 1 1156 . 1 . 1 248 248 ILE N N 15 123.24 0.05 . 1 . . . . A 218 ILE N . 34758 1 1157 . 1 . 1 249 249 THR H H 1 8.75 0.05 . 1 . . . . A 219 THR H . 34758 1 1158 . 1 . 1 249 249 THR HG21 H 1 0.97 0.05 . 1 . . . . A 219 THR HG21 . 34758 1 1159 . 1 . 1 249 249 THR HG22 H 1 0.97 0.05 . 1 . . . . A 219 THR HG22 . 34758 1 1160 . 1 . 1 249 249 THR HG23 H 1 0.97 0.05 . 1 . . . . A 219 THR HG23 . 34758 1 1161 . 1 . 1 249 249 THR C C 13 172.70 0.05 . 1 . . . . A 219 THR C . 34758 1 1162 . 1 . 1 249 249 THR CA C 13 61.32 0.05 . 1 . . . . A 219 THR CA . 34758 1 1163 . 1 . 1 249 249 THR CB C 13 70.80 0.05 . 1 . . . . A 219 THR CB . 34758 1 1164 . 1 . 1 249 249 THR CG2 C 13 21.96 0.05 . 1 . . . . A 219 THR CG2 . 34758 1 1165 . 1 . 1 249 249 THR N N 15 122.49 0.05 . 1 . . . . A 219 THR N . 34758 1 1166 . 1 . 1 250 250 LEU H H 1 8.72 0.05 . 1 . . . . A 220 LEU H . 34758 1 1167 . 1 . 1 250 250 LEU HD21 H 1 0.90 0.05 . 1 . . . . A 220 LEU HD21 . 34758 1 1168 . 1 . 1 250 250 LEU HD22 H 1 0.90 0.05 . 1 . . . . A 220 LEU HD22 . 34758 1 1169 . 1 . 1 250 250 LEU HD23 H 1 0.90 0.05 . 1 . . . . A 220 LEU HD23 . 34758 1 1170 . 1 . 1 250 250 LEU C C 13 175.83 0.05 . 1 . . . . A 220 LEU C . 34758 1 1171 . 1 . 1 250 250 LEU CA C 13 54.03 0.05 . 1 . . . . A 220 LEU CA . 34758 1 1172 . 1 . 1 250 250 LEU CB C 13 43.90 0.05 . 1 . . . . A 220 LEU CB . 34758 1 1173 . 1 . 1 250 250 LEU CD2 C 13 27.15 0.05 . 1 . . . . A 220 LEU CD2 . 34758 1 1174 . 1 . 1 250 250 LEU N N 15 127.47 0.05 . 1 . . . . A 220 LEU N . 34758 1 1175 . 1 . 1 251 251 PHE H H 1 8.83 0.05 . 1 . . . . A 221 PHE H . 34758 1 1176 . 1 . 1 251 251 PHE C C 13 174.21 0.05 . 1 . . . . A 221 PHE C . 34758 1 1177 . 1 . 1 251 251 PHE CA C 13 57.55 0.05 . 1 . . . . A 221 PHE CA . 34758 1 1178 . 1 . 1 251 251 PHE CB C 13 39.78 0.05 . 1 . . . . A 221 PHE CB . 34758 1 1179 . 1 . 1 251 251 PHE N N 15 127.00 0.05 . 1 . . . . A 221 PHE N . 34758 1 1180 . 1 . 1 252 252 VAL H H 1 7.93 0.05 . 1 . . . . A 222 VAL H . 34758 1 1181 . 1 . 1 252 252 VAL HG21 H 1 0.88 0.05 . 1 . . . . A 222 VAL HG21 . 34758 1 1182 . 1 . 1 252 252 VAL HG22 H 1 0.88 0.05 . 1 . . . . A 222 VAL HG22 . 34758 1 1183 . 1 . 1 252 252 VAL HG23 H 1 0.88 0.05 . 1 . . . . A 222 VAL HG23 . 34758 1 1184 . 1 . 1 252 252 VAL C C 13 175.84 0.05 . 1 . . . . A 222 VAL C . 34758 1 1185 . 1 . 1 252 252 VAL CA C 13 61.33 0.05 . 1 . . . . A 222 VAL CA . 34758 1 1186 . 1 . 1 252 252 VAL CB C 13 33.94 0.05 . 1 . . . . A 222 VAL CB . 34758 1 1187 . 1 . 1 252 252 VAL CG2 C 13 20.45 0.05 . 1 . . . . A 222 VAL CG2 . 34758 1 1188 . 1 . 1 252 252 VAL N N 15 121.41 0.05 . 1 . . . . A 222 VAL N . 34758 1 1189 . 1 . 1 253 253 GLU H H 1 8.55 0.05 . 1 . . . . A 223 GLU H . 34758 1 1190 . 1 . 1 253 253 GLU C C 13 176.69 0.05 . 1 . . . . A 223 GLU C . 34758 1 1191 . 1 . 1 253 253 GLU CA C 13 56.99 0.05 . 1 . . . . A 223 GLU CA . 34758 1 1192 . 1 . 1 253 253 GLU CB C 13 30.66 0.05 . 1 . . . . A 223 GLU CB . 34758 1 1193 . 1 . 1 253 253 GLU N N 15 125.49 0.05 . 1 . . . . A 223 GLU N . 34758 1 1194 . 1 . 1 254 254 LYS H H 1 8.46 0.05 . 1 . . . . A 224 LYS H . 34758 1 1195 . 1 . 1 254 254 LYS C C 13 176.69 0.05 . 1 . . . . A 224 LYS C . 34758 1 1196 . 1 . 1 254 254 LYS CA C 13 56.19 0.05 . 1 . . . . A 224 LYS CA . 34758 1 1197 . 1 . 1 254 254 LYS CB C 13 33.41 0.05 . 1 . . . . A 224 LYS CB . 34758 1 1198 . 1 . 1 254 254 LYS N N 15 123.45 0.05 . 1 . . . . A 224 LYS N . 34758 1 1199 . 1 . 1 259 259 GLU C C 13 176.71 0.05 . 1 . . . . A 229 GLU C . 34758 1 1200 . 1 . 1 259 259 GLU CA C 13 56.86 0.05 . 1 . . . . A 229 GLU CA . 34758 1 1201 . 1 . 1 259 259 GLU CB C 13 30.36 0.05 . 1 . . . . A 229 GLU CB . 34758 1 1202 . 1 . 1 260 260 VAL HG21 H 1 0.95 0.05 . 1 . . . . A 230 VAL HG21 . 34758 1 1203 . 1 . 1 260 260 VAL HG22 H 1 0.95 0.05 . 1 . . . . A 230 VAL HG22 . 34758 1 1204 . 1 . 1 260 260 VAL HG23 H 1 0.95 0.05 . 1 . . . . A 230 VAL HG23 . 34758 1 1205 . 1 . 1 260 260 VAL C C 13 176.07 0.05 . 1 . . . . A 230 VAL C . 34758 1 1206 . 1 . 1 260 260 VAL CA C 13 62.44 0.05 . 1 . . . . A 230 VAL CA . 34758 1 1207 . 1 . 1 260 260 VAL CB C 13 33.31 0.05 . 1 . . . . A 230 VAL CB . 34758 1 1208 . 1 . 1 260 260 VAL CG2 C 13 20.65 0.05 . 1 . . . . A 230 VAL CG2 . 34758 1 1209 . 1 . 1 261 261 SER CA C 13 58.11 0.05 . 1 . . . . A 231 SER CA . 34758 1 1210 . 1 . 1 261 261 SER CB C 13 64.15 0.05 . 1 . . . . A 231 SER CB . 34758 1 1211 . 1 . 1 262 262 ASP C C 13 176.37 0.05 . 1 . . . . A 232 ASP C . 34758 1 1212 . 1 . 1 262 262 ASP CA C 13 54.83 0.05 . 1 . . . . A 232 ASP CA . 34758 1 1213 . 1 . 1 262 262 ASP CB C 13 41.31 0.05 . 1 . . . . A 232 ASP CB . 34758 1 1214 . 1 . 1 265 265 ALA HB1 H 1 1.42 0.05 . 1 . . . . A 235 ALA HB1 . 34758 1 1215 . 1 . 1 265 265 ALA HB2 H 1 1.42 0.05 . 1 . . . . A 235 ALA HB2 . 34758 1 1216 . 1 . 1 265 265 ALA HB3 H 1 1.42 0.05 . 1 . . . . A 235 ALA HB3 . 34758 1 1217 . 1 . 1 265 265 ALA CB C 13 19.65 0.05 . 1 . . . . A 235 ALA CB . 34758 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 34758 _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 the 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_R60A_400ms 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 2022-07-20T09:43:34.891680 _nef_nmr_meta_data.uuid AnalysisAssign-2022-07-20T09:43:34.891680-1222356005 _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_R60A_11`1` _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode nef_nmr_spectrum_Expt_2-NOESY_R60A_11`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 10000 _nef_nmr_spectrum.ccpn_positive_contour_factor 1.41421356 _nef_nmr_spectrum.ccpn_positive_contour_colour . _nef_nmr_spectrum.ccpn_negative_contour_count 10 _nef_nmr_spectrum.ccpn_negative_contour_base -10000 _nef_nmr_spectrum.ccpn_negative_contour_factor 1.41421356 _nef_nmr_spectrum.ccpn_negative_contour_colour . _nef_nmr_spectrum.ccpn_slice_colour . _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_R60A_400ms\spectra1\R60A_400ms\NOESY_R60A_11.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 3.607392131 2.600424148 none true true H 2 ppm 13C 213.7689972 18.00595522 27.28897702 none true false C 3 ppm 13C 213.7689972 18.00595522 27.28897702 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 1 613 . . 0.03 -1.001083167 2.600424148 Shift . . . . . . 2 512 . . 0.4 9.31818968 27.28897702 Shift . . . . . . 3 512 . . 0.4 9.31818968 27.28897702 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 33 40684152.5 . 1798990.5 . 1.341064998 . 22.06030502 . 19.2920195 . A 21 ALA HB% A 109 THR CG2 A 21 ALA CB 1 . ' 21AlaH 109ThrC 21AlaC ' . 1 2 34 36887516.31 . 1590436.875 . 1.429711976 . 19.31426285 . 22.03693228 . A 109 THR HG2% A 21 ALA CB A 109 THR CG2 1 . ' 109ThrH 21AlaC 109ThrC ' . 1 3 44 46589877.62 . 1960122.5 . 0.8929897806 . 13.30890876 . 11.51377799 . A 26 ILE HD1% A 33 ILE CD1 A 26 ILE CD1 1 . ' 26IleH (128Ile/33Ile)C 26IleC ' . 1 4 44 46589877.62 . 1960122.5 . 0.8929897806 . 13.30890876 . 11.51377799 . A 26 ILE HD1% A 128 ILE CD1 A 26 ILE CD1 1 . ' 26IleH (128Ile/33Ile)C 26IleC ' . 1 5 45 41667560 . 1795902 . 0.6269551713 . 11.54532007 . 13.30274165 . A 33 ILE HD1% A 26 ILE CD1 A 33 ILE CD1 1 . ' (33Ile/128Ile)H 26IleC (33Ile/128Ile)C ' . 1 6 45 41667560 . 1795902 . 0.6269551713 . 11.54532007 . 13.30274165 . A 33 ILE HD1% A 26 ILE CD1 A 128 ILE CD1 1 . ' (33Ile/128Ile)H 26IleC (33Ile/128Ile)C ' . 1 7 45 41667560 . 1795902 . 0.6269551713 . 11.54532007 . 13.30274165 . A 128 ILE HD1% A 26 ILE CD1 A 33 ILE CD1 1 . ' (33Ile/128Ile)H 26IleC (33Ile/128Ile)C ' . 1 8 45 41667560 . 1795902 . 0.6269551713 . 11.54532007 . 13.30274165 . A 128 ILE HD1% A 26 ILE CD1 A 128 ILE CD1 1 . ' (33Ile/128Ile)H 26IleC (33Ile/128Ile)C ' . 1 9 38 146801353 . 6219090.5 . 0.8938980302 . 18.60318616 . 11.51856291 . A 26 ILE HD1% A 111 ALA CB A 26 ILE CD1 1 . ' 26IleH 111AlaC 26IleC ' . 1 10 39 149179559.5 . 6431188 . 1.406468548 . 11.53076187 . 18.60385795 . A 111 ALA HB% A 26 ILE CD1 A 111 ALA CB 1 . ' 111AlaH (110Ile/26Ile)C 111AlaC ' . 1 11 40 71947803.75 . 3060622.5 . 0.8945812737 . 16.6037573 . 11.52710633 . A 26 ILE HD1% A 119 MET CE A 26 ILE CD1 1 . ' 26IleH 119MetC 26IleC ' . 1 12 41 119177254.5 . 5202388.5 . 2.024298058 . 11.53151003 . 16.60518326 . A 119 MET HE% A 26 ILE CD1 A 119 MET CE 1 . ' 119MetH 26IleC 119MetC ' . 1 13 42 32148574.62 . 1368368 . 0.8940057436 . 14.53243899 . 11.49683302 . A 26 ILE HD1% A 131 ILE CD1 A 26 ILE CD1 1 . ' 26IleH 131IleC 26IleC ' . 1 14 43 36433374.5 . 1558114.25 . 0.6644881441 . 11.51415177 . 14.54010184 . A 131 ILE HD1% A 26 ILE CD1 A 131 ILE CD1 1 . ' 131IleH 26IleC 131IleC ' . 1 15 48 391390540 . 17052820 . 1.088351387 . 26.2663962 . 23.63857919 . A 115 THR HG2% A 29 LEU CD2 A 115 THR CG2 1 . ' 115ThrH 29LeuC 115ThrC ' . 1 16 49 357650950 . 15491293 . 0.8706335265 . 23.63652757 . 26.26540225 . A 29 LEU HD2% A 115 THR CG2 A 29 LEU CD2 1 . ' 29LeuH 115ThrC 29LeuC ' . 1 17 50 165789820 . 7224872.5 . 0.8702350929 . 16.60067289 . 26.27120343 . A 29 LEU HD2% A 119 MET CE A 29 LEU CD2 1 . ' 29LeuH 119MetC 29LeuC ' . 1 18 51 288366724 . 12825691 . 2.024589937 . 26.2685617 . 16.60361009 . A 119 MET HE% A 29 LEU CD2 A 119 MET CE 1 . ' 119MetH 29LeuC 119MetC ' . 1 19 52 301363050 . 13197320 . 0.8708372545 . 14.52952733 . 26.26550042 . A 29 LEU HD2% A 131 ILE CD1 A 29 LEU CD2 1 . ' 29LeuH 131IleC 29LeuC ' . 1 20 53 407173307 . 17860956 . 0.6661086601 . 26.26465125 . 14.53105414 . A 131 ILE HD1% A 29 LEU CD2 A 131 ILE CD1 1 . ' 131IleH 29LeuC 131IleC ' . 1 21 54 435066974 . 18837308 . 0.8705941462 . 17.54898175 . 26.26556507 . A 29 LEU HD2% A 136 VAL CG2 A 29 LEU CD2 1 . ' 29LeuH 136ValC 29LeuC ' . 1 22 55 563597362 . 24639154 . 0.5584847815 . 26.26546699 . 17.54787583 . A 136 VAL HG2% A 29 LEU CD2 A 136 VAL CG2 1 . ' 136ValH 29LeuC 136ValC ' . 1 23 70 554220595 . 24539076 . 0.7739678548 . 13.33243295 . 24.44500329 . A 32 LEU HD2% A 33 ILE CD1 A 32 LEU CD2 1 . ' 32LeuH (128Ile/33Ile)C 32LeuC ' . 1 24 70 554220595 . 24539076 . 0.7739678548 . 13.33243295 . 24.44500329 . A 32 LEU HD2% A 128 ILE CD1 A 32 LEU CD2 1 . ' 32LeuH (128Ile/33Ile)C 32LeuC ' . 1 25 71 674916538 . 29651366 . 0.6305463349 . 24.44333677 . 13.32949698 . A 33 ILE HD1% A 32 LEU CD2 A 33 ILE CD1 1 . ' (128Ile/33Ile)H 32LeuC (33Ile/128Ile)C ' . 1 26 71 674916538 . 29651366 . 0.6305463349 . 24.44333677 . 13.32949698 . A 33 ILE HD1% A 32 LEU CD2 A 128 ILE CD1 1 . ' (128Ile/33Ile)H 32LeuC (33Ile/128Ile)C ' . 1 27 71 674916538 . 29651366 . 0.6305463349 . 24.44333677 . 13.32949698 . A 128 ILE HD1% A 32 LEU CD2 A 33 ILE CD1 1 . ' (128Ile/33Ile)H 32LeuC (33Ile/128Ile)C ' . 1 28 71 674916538 . 29651366 . 0.6305463349 . 24.44333677 . 13.32949698 . A 128 ILE HD1% A 32 LEU CD2 A 128 ILE CD1 1 . ' (128Ile/33Ile)H 32LeuC (33Ile/128Ile)C ' . 1 29 61 467280441 . 20879878 . 0.7738759103 . 16.60149562 . 24.44681697 . A 32 LEU HD2% A 119 MET CE A 32 LEU CD2 1 . ' 32LeuH 119MetC 32LeuC ' . 1 30 63 705390836 . 31840216 . 2.02488207 . 24.44760899 . 16.60358869 . A 119 MET HE% A 32 LEU CD2 A 119 MET CE 1 . ' 119MetH 32LeuC 119MetC ' . 1 31 64 452099313 . 20109156 . 0.7737911384 . 22.26460312 . 24.44645023 . A 32 LEU HD2% A 122 LEU CD2 A 32 LEU CD2 1 . ' 32LeuH 122LeuC 32LeuC ' . 1 32 65 431380648 . 18954996 . 0.3966200428 . 24.44511716 . 22.26487979 . A 122 LEU HD2% A 32 LEU CD2 A 122 LEU CD2 1 . ' 122LeuH 32LeuC 122LeuC ' . 1 33 218 346233117 . 15134388 . 0.630356472 . 20.59150555 . 13.33932103 . A 33 ILE HD1% A 36 THR CG2 A 33 ILE CD1 1 . ' (33Ile/128Ile)H 36ThrC (128Ile/33Ile)C ' . 1 34 218 346233117 . 15134388 . 0.630356472 . 20.59150555 . 13.33932103 . A 33 ILE HD1% A 36 THR CG2 A 128 ILE CD1 1 . ' (33Ile/128Ile)H 36ThrC (128Ile/33Ile)C ' . 1 35 218 346233117 . 15134388 . 0.630356472 . 20.59150555 . 13.33932103 . A 128 ILE HD1% A 36 THR CG2 A 33 ILE CD1 1 . ' (33Ile/128Ile)H 36ThrC (128Ile/33Ile)C ' . 1 36 218 346233117 . 15134388 . 0.630356472 . 20.59150555 . 13.33932103 . A 128 ILE HD1% A 36 THR CG2 A 128 ILE CD1 1 . ' (33Ile/128Ile)H 36ThrC (128Ile/33Ile)C ' . 1 37 219 215196306.5 . 9246476 . 0.9857865725 . 13.34101296 . 20.59139788 . A 36 THR HG2% A 33 ILE CD1 A 36 THR CG2 1 . ' 36ThrH (33Ile/128Ile)C 36ThrC ' . 1 38 219 215196306.5 . 9246476 . 0.9857865725 . 13.34101296 . 20.59139788 . A 36 THR HG2% A 128 ILE CD1 A 36 THR CG2 1 . ' 36ThrH (33Ile/128Ile)C 36ThrC ' . 1 39 220 418288734 . 18319006 . 0.6303737418 . 15.10946744 . 13.33387963 . A 33 ILE HD1% A 43 ILE CD1 A 33 ILE CD1 1 . ' (33Ile/128Ile)H 43IleC (128Ile/33Ile)C ' . 1 40 220 418288734 . 18319006 . 0.6303737418 . 15.10946744 . 13.33387963 . A 33 ILE HD1% A 43 ILE CD1 A 128 ILE CD1 1 . ' (33Ile/128Ile)H 43IleC (128Ile/33Ile)C ' . 1 41 220 418288734 . 18319006 . 0.6303737418 . 15.10946744 . 13.33387963 . A 128 ILE HD1% A 43 ILE CD1 A 33 ILE CD1 1 . ' (33Ile/128Ile)H 43IleC (128Ile/33Ile)C ' . 1 42 220 418288734 . 18319006 . 0.6303737418 . 15.10946744 . 13.33387963 . A 128 ILE HD1% A 43 ILE CD1 A 128 ILE CD1 1 . ' (33Ile/128Ile)H 43IleC (128Ile/33Ile)C ' . 1 43 221 444267437 . 19470974 . 0.6826416852 . 13.33508596 . 15.10800365 . A 43 ILE HD1% A 33 ILE CD1 A 43 ILE CD1 1 . ' 43IleH (128Ile/33Ile)C 43IleC ' . 1 44 221 444267437 . 19470974 . 0.6826416852 . 13.33508596 . 15.10800365 . A 43 ILE HD1% A 128 ILE CD1 A 43 ILE CD1 1 . ' 43IleH (128Ile/33Ile)C 43IleC ' . 1 45 222 158128719.5 . 6808224.5 . 0.6306235054 . 23.65131256 . 13.30506273 . A 33 ILE HD1% A 115 THR CG2 A 33 ILE CD1 1 . ' (33Ile/128Ile)H 115ThrC (33Ile/128Ile)C ' . 1 46 222 158128719.5 . 6808224.5 . 0.6306235054 . 23.65131256 . 13.30506273 . A 33 ILE HD1% A 115 THR CG2 A 128 ILE CD1 1 . ' (33Ile/128Ile)H 115ThrC (33Ile/128Ile)C ' . 1 47 222 158128719.5 . 6808224.5 . 0.6306235054 . 23.65131256 . 13.30506273 . A 128 ILE HD1% A 115 THR CG2 A 33 ILE CD1 1 . ' (33Ile/128Ile)H 115ThrC (33Ile/128Ile)C ' . 1 48 222 158128719.5 . 6808224.5 . 0.6306235054 . 23.65131256 . 13.30506273 . A 128 ILE HD1% A 115 THR CG2 A 128 ILE CD1 1 . ' (33Ile/128Ile)H 115ThrC (33Ile/128Ile)C ' . 1 49 223 108613104.2 . 4743640 . 1.088928161 . 13.30090858 . 23.63674704 . A 115 THR HG2% A 33 ILE CD1 A 115 THR CG2 1 . ' 115ThrH (128Ile/33Ile)C 115ThrC ' . 1 50 223 108613104.2 . 4743640 . 1.088928161 . 13.30090858 . 23.63674704 . A 115 THR HG2% A 128 ILE CD1 A 115 THR CG2 1 . ' 115ThrH (128Ile/33Ile)C 115ThrC ' . 1 51 234 131925595.5 . 5765306.5 . 0.6291522447 . 16.59682694 . 13.31957037 . A 33 ILE HD1% A 119 MET CE A 33 ILE CD1 1 . ' (33Ile/128Ile)H 119MetC (33Ile/128Ile)C ' . 1 52 234 131925595.5 . 5765306.5 . 0.6291522447 . 16.59682694 . 13.31957037 . A 33 ILE HD1% A 119 MET CE A 128 ILE CD1 1 . ' (33Ile/128Ile)H 119MetC (33Ile/128Ile)C ' . 1 53 234 131925595.5 . 5765306.5 . 0.6291522447 . 16.59682694 . 13.31957037 . A 128 ILE HD1% A 119 MET CE A 33 ILE CD1 1 . ' (33Ile/128Ile)H 119MetC (33Ile/128Ile)C ' . 1 54 234 131925595.5 . 5765306.5 . 0.6291522447 . 16.59682694 . 13.31957037 . A 128 ILE HD1% A 119 MET CE A 128 ILE CD1 1 . ' (33Ile/128Ile)H 119MetC (33Ile/128Ile)C ' . 1 55 235 131284502.5 . 5861389.5 . 2.023759708 . 13.31284007 . 16.6040139 . A 119 MET HE% A 33 ILE CD1 A 119 MET CE 1 . ' 119MetH (33Ile/128Ile)C 119MetC ' . 1 56 235 131284502.5 . 5861389.5 . 2.023759708 . 13.31284007 . 16.6040139 . A 119 MET HE% A 128 ILE CD1 A 119 MET CE 1 . ' 119MetH (33Ile/128Ile)C 119MetC ' . 1 57 224 956030208 . 42006152 . 0.6306783353 . 22.2617028 . 13.34062299 . A 33 ILE HD1% A 122 LEU CD2 A 33 ILE CD1 1 . ' 33IleH 122LeuC 33IleC ' . 1 58 225 791148832 . 34508924 . 0.3965664875 . 13.34326119 . 22.26096345 . A 122 LEU HD2% A 33 ILE CD1 A 122 LEU CD2 1 . ' 122LeuH 33IleC 122LeuC ' . 1 59 226 68463610.38 . 3024827 . 0.6293743602 . 19.25810294 . 13.34997418 . A 33 ILE HD1% A 126 ALA CB A 33 ILE CD1 1 . ' 33IleH 126AlaC 33IleC ' . 1 60 227 63402362.38 . 2797207 . 1.251327068 . 13.33357293 . 19.26444811 . A 126 ALA HB% A 33 ILE CD1 A 126 ALA CB 1 . ' 126AlaH 33IleC 126AlaC ' . 1 61 228 1618619028 . 71480512 . 0.6304761959 . 14.53011182 . 13.31187175 . A 33 ILE HD1% A 131 ILE CD1 A 33 ILE CD1 1 . ' (128Ile/33Ile)H 131IleC (33Ile/128Ile)C ' . 1 62 228 1618619028 . 71480512 . 0.6304761959 . 14.53011182 . 13.31187175 . A 33 ILE HD1% A 131 ILE CD1 A 128 ILE CD1 1 . ' (128Ile/33Ile)H 131IleC (33Ile/128Ile)C ' . 1 63 228 1618619028 . 71480512 . 0.6304761959 . 14.53011182 . 13.31187175 . A 128 ILE HD1% A 131 ILE CD1 A 33 ILE CD1 1 . ' (128Ile/33Ile)H 131IleC (33Ile/128Ile)C ' . 1 64 228 1618619028 . 71480512 . 0.6304761959 . 14.53011182 . 13.31187175 . A 128 ILE HD1% A 131 ILE CD1 A 128 ILE CD1 1 . ' (128Ile/33Ile)H 131IleC (33Ile/128Ile)C ' . 1 65 229 1639848840 . 71935704 . 0.6658445929 . 13.31179727 . 14.53031007 . A 131 ILE HD1% A 33 ILE CD1 A 131 ILE CD1 1 . ' 131IleH (128Ile/33Ile)C 131IleC ' . 1 66 229 1639848840 . 71935704 . 0.6658445929 . 13.31179727 . 14.53031007 . A 131 ILE HD1% A 128 ILE CD1 A 131 ILE CD1 1 . ' 131IleH (128Ile/33Ile)C 131IleC ' . 1 67 230 336422726 . 14677748 . 0.5580410215 . 13.30438181 . 17.54802169 . A 136 VAL HG2% A 33 ILE CD1 A 136 VAL CG2 1 . ' 136ValH (128Ile/33Ile)C 136ValC ' . 1 68 230 336422726 . 14677748 . 0.5580410215 . 13.30438181 . 17.54802169 . A 136 VAL HG2% A 128 ILE CD1 A 136 VAL CG2 1 . ' 136ValH (128Ile/33Ile)C 136ValC ' . 1 69 231 347924776 . 15156011 . 0.6302534427 . 17.54796899 . 13.30579014 . A 33 ILE HD1% A 136 VAL CG2 A 33 ILE CD1 1 . ' (128Ile/33Ile)H 136ValC (33Ile/128Ile)C ' . 1 70 231 347924776 . 15156011 . 0.6302534427 . 17.54796899 . 13.30579014 . A 33 ILE HD1% A 136 VAL CG2 A 128 ILE CD1 1 . ' (128Ile/33Ile)H 136ValC (33Ile/128Ile)C ' . 1 71 231 347924776 . 15156011 . 0.6302534427 . 17.54796899 . 13.30579014 . A 128 ILE HD1% A 136 VAL CG2 A 33 ILE CD1 1 . ' (128Ile/33Ile)H 136ValC (33Ile/128Ile)C ' . 1 72 231 347924776 . 15156011 . 0.6302534427 . 17.54796899 . 13.30579014 . A 128 ILE HD1% A 136 VAL CG2 A 128 ILE CD1 1 . ' (128Ile/33Ile)H 136ValC (33Ile/128Ile)C ' . 1 73 232 1014544912 . 44712556 . 0.6306048862 . 24.16152872 . 13.33436929 . A 33 ILE HD1% A 143 LEU CD2 A 33 ILE CD1 1 . ' (33Ile/128Ile)H 143LeuC (128Ile/33Ile)C ' . 1 74 232 1014544912 . 44712556 . 0.6306048862 . 24.16152872 . 13.33436929 . A 33 ILE HD1% A 143 LEU CD2 A 128 ILE CD1 1 . ' (33Ile/128Ile)H 143LeuC (128Ile/33Ile)C ' . 1 75 232 1014544912 . 44712556 . 0.6306048862 . 24.16152872 . 13.33436929 . A 128 ILE HD1% A 143 LEU CD2 A 33 ILE CD1 1 . ' (33Ile/128Ile)H 143LeuC (128Ile/33Ile)C ' . 1 76 232 1014544912 . 44712556 . 0.6306048862 . 24.16152872 . 13.33436929 . A 128 ILE HD1% A 143 LEU CD2 A 128 ILE CD1 1 . ' (33Ile/128Ile)H 143LeuC (128Ile/33Ile)C ' . 1 77 233 857858596 . 37811376 . 1.046659036 . 13.33543364 . 24.16103848 . A 143 LEU HD2% A 33 ILE CD1 A 143 LEU CD2 1 . ' 143LeuH (33Ile/128Ile)C 143LeuC ' . 1 78 233 857858596 . 37811376 . 1.046659036 . 13.33543364 . 24.16103848 . A 143 LEU HD2% A 128 ILE CD1 A 143 LEU CD2 1 . ' 143LeuH (33Ile/128Ile)C 143LeuC ' . 1 79 72 64422122.88 . 2766229.25 . 0.9849815694 . 22.24937645 . 20.58848786 . A 36 THR HG2% A 122 LEU CD2 A 36 THR CG2 1 . ' 36ThrH 122LeuC 36ThrC ' . 1 80 73 81064453.5 . 3560259.5 . 0.3961476762 . 20.59119233 . 22.25979172 . A 122 LEU HD2% A 36 THR CG2 A 122 LEU CD2 1 . ' 122LeuH 36ThrC 122LeuC ' . 1 81 80 281859502 . 12102502 . 0.6832803939 . 14.53671558 . 15.10659761 . A 43 ILE HD1% A 131 ILE CD1 A 43 ILE CD1 1 . ' 43IleH 131IleC 43IleC ' . 1 82 81 242240618 . 10342655 . 0.6672801617 . 15.10838185 . 14.54035071 . A 131 ILE HD1% A 43 ILE CD1 A 131 ILE CD1 1 . ' 131IleH 43IleC 131IleC ' . 1 83 94 54396175.88 . 2480983 . 0.8406138107 . 20.82310757 . 15.44699979 . A 96 ILE HD1% A 99 THR CG2 A 96 ILE CD1 1 . ' 96IleH 99ThrC 96IleC ' . 1 84 95 51944674.62 . 2286995.25 . 0.6583271605 . 15.44378729 . 20.83145958 . A 99 THR HG2% A 96 ILE CD1 A 99 THR CG2 1 . ' 99ThrH 96IleC 99ThrC ' . 1 85 96 28441687.31 . 1226428.25 . 1.682784381 . 17.60996455 . 18.84926046 . A 55 ALA HB% A 98 MET CE A 55 ALA CB 1 . ' 55AlaH 98MetC 55AlaC ' . 1 86 97 48438634.75 . 2111800.5 . 1.731645917 . 18.85708601 . 17.57683712 . A 98 MET HE% A 55 ALA CB A 98 MET CE 1 . ' 98MetH 55AlaC 98MetC ' . 1 87 104 467373968 . 20294960 . 1.733439134 . 25.06968047 . 17.57704677 . A 98 MET HE% A 103 LEU CD2 A 98 MET CE 1 . ' 98MetH 103LeuC 98MetC ' . 1 88 105 401249499 . 17309374 . 0.7945289499 . 17.57613962 . 25.06725818 . A 103 LEU HD2% A 98 MET CE A 103 LEU CD2 1 . ' 103LeuH 98MetC 103LeuC ' . 1 89 110 348042869 . 15076208 . 1.733185913 . 21.38946041 . 17.57606917 . A 98 MET HE% A 107 LEU CD2 A 98 MET CE 1 . ' 98MetH 107LeuC 98MetC ' . 1 90 111 285624694 . 12304701 . -0.8716230902 . 17.57918023 . 21.39251012 . A 107 LEU HD2% A 98 MET CE A 107 LEU CD2 1 . ' 107LeuH 98MetC 107LeuC ' . 1 91 108 257822470.5 . 11267927 . 1.733196154 . 22.08086528 . 17.57673818 . A 98 MET HE% A 150 VAL CG2 A 98 MET CE 1 . ' 98MetH 150ValC 98MetC ' . 1 92 109 212391259 . 9236847 . 0.8235767396 . 17.57967151 . 22.08448308 . A 150 VAL HG2% A 98 MET CE A 150 VAL CG2 1 . ' 150ValH 98MetC 150ValC ' . 1 93 98 525293334 . 23211376 . 1.733256015 . 19.46886576 . 17.57752349 . A 98 MET HE% A 152 THR CG2 A 98 MET CE 1 . ' 98MetH 152ThrC 98MetC ' . 1 94 99 458343695 . 20217920 . 1.420128714 . 17.57601717 . 19.47202798 . A 152 THR HG2% A 98 MET CE A 152 THR CG2 1 . ' 152ThrH 98MetC 152ThrC ' . 1 95 100 94915776 . 4228627 . 1.731496592 . 16.58592375 . 17.57906479 . A 98 MET HE% A 180 MET CE A 98 MET CE 1 . ' 98MetH 180MetC 98MetC ' . 1 96 102 130624318.5 . 5849246 . 1.8058762 . 17.57667322 . 16.58193834 . A 180 MET HE% A 98 MET CE A 180 MET CE 1 . ' 180MetH 98MetC 180MetC ' . 1 97 106 630459294 . 27701976 . 1.733401163 . 22.85887102 . 17.57783452 . A 98 MET HE% A 184 THR CG2 A 98 MET CE 1 . ' 98MetH 184ThrC 98MetC ' . 1 98 107 510755234 . 22473060 . 1.022894789 . 17.57593801 . 22.85777535 . A 184 THR HG2% A 98 MET CE A 184 THR CG2 1 . ' 184ThrH 98MetC 184ThrC ' . 1 99 1 260468891.5 . 11375098 . 1.73324331 . 20.85354932 . 17.57577338 . A 98 MET HE% A 186 VAL CG2 A 98 MET CE 1 . ' 98MetH 186ValC 98MetC ' . 1 100 2 200427582.5 . 8794349 . 1.078415752 . 17.57835412 . 20.85506624 . A 186 VAL HG2% A 98 MET CE A 186 VAL CG2 1 . ' 186ValH 98MetC 186ValC ' . 1 101 118 100578240 . 4511459.5 . 0.6584690602 . 17.79191571 . 20.82986452 . A 99 THR HG2% A 101 ALA CB A 99 THR CG2 1 . ' 99ThrH 101AlaC 99ThrC ' . 1 102 119 104998647.2 . 4680829.5 . 1.199250392 . 20.83449237 . 17.79330586 . A 101 ALA HB% A 99 THR CG2 A 101 ALA CB 1 . ' 101AlaH 99ThrC 101AlaC ' . 1 103 120 106328838.5 . 4738743 . 1.199553092 . 14.83458639 . 17.79635015 . A 101 ALA HB% A 104 ILE CD1 A 101 ALA CB 1 . ' 101AlaH 104IleC 101AlaC ' . 1 104 121 100925276.2 . 4387565 . 0.5456373986 . 17.7966649 . 14.82695909 . A 104 ILE HG1% A 101 ALA CB A 104 ILE CD1 1 . ' 104IleH 101AlaC 104IleC ' . 1 105 126 85080362.75 . 3673527.5 . 0.7944098493 . 14.83559704 . 25.06709358 . A 103 LEU HD2% A 104 ILE CD1 A 103 LEU CD2 1 . ' 103LeuH 104IleC 103LeuC ' . 1 106 127 95701400.5 . 4097128.5 . 0.5461449703 . 25.06507933 . 14.83690731 . A 104 ILE HG1% A 103 LEU CD2 A 104 ILE CD1 1 . ' 104IleH 103LeuC 104IleC ' . 1 107 128 152319453 . 6418028 . 0.7945417611 . 21.39206267 . 25.06154018 . A 103 LEU HD2% A 107 LEU CD2 A 103 LEU CD2 1 . ' 103LeuH 107LeuC 103LeuC ' . 1 108 129 140275671 . 5938731 . -0.8714458164 . 25.06613756 . 21.3910425 . A 107 LEU HD2% A 103 LEU CD2 A 107 LEU CD2 1 . ' 107LeuH 103LeuC 107LeuC ' . 1 109 132 97379007.25 . 4123565.75 . 0.7938356205 . 22.08748448 . 25.07990016 . A 103 LEU HD2% A 150 VAL CG2 A 103 LEU CD2 1 . ' 103LeuH 150ValC 103LeuC ' . 1 110 133 87444507.5 . 3678724 . 0.8234567839 . 25.07643517 . 22.06957252 . A 150 VAL HG2% A 103 LEU CD2 A 150 VAL CG2 1 . ' 150ValH 103LeuC 150ValC ' . 1 111 134 434103963 . 18735282 . 0.7945804769 . 19.47322389 . 25.07107427 . A 103 LEU HD2% A 152 THR CG2 A 103 LEU CD2 1 . ' 103LeuH 152ThrC 103LeuC ' . 1 112 135 430746697 . 18551252 . 1.420318365 . 25.07089884 . 19.47200247 . A 152 THR HG2% A 103 LEU CD2 A 152 THR CG2 1 . ' 152ThrH 103LeuC 152ThrC ' . 1 113 136 382837352 . 16375885 . 0.7940331764 . 23.04539395 . 25.06480952 . A 103 LEU HD2% A 172 VAL CG2 A 103 LEU CD2 1 . ' 103LeuH 172ValC 103LeuC ' . 1 114 137 380768307 . 16579508 . 1.239437865 . 25.06893913 . 23.04744292 . A 172 VAL HG2% A 103 LEU CD2 A 172 VAL CG2 1 . ' 172ValH 103LeuC 172ValC ' . 1 115 125 14355945.56 . 615936.625 . 0.663869219 . 25.10083523 . 20.8677662 . A 99 THR HG2% A 103 LEU CD2 A 99 THR CG2 1 . ' 99ThrH 103LeuC 99ThrC ' . 1 116 123 61138058.25 . 2598563.75 . 0.795814911 . 20.85534322 . 25.06737611 . A 103 LEU HD2% A 99 THR CG2 A 103 LEU CD2 1 . ' 103LeuH (99Thr/186Val)C 103LeuC ' . 1 117 123 61138058.25 . 2598563.75 . 0.795814911 . 20.85534322 . 25.06737611 . A 103 LEU HD2% A 186 VAL CG2 A 103 LEU CD2 1 . ' 103LeuH (99Thr/186Val)C 103LeuC ' . 1 118 124 41341785.25 . 1772346.5 . 1.077884541 . 25.04314981 . 20.85352104 . A 186 VAL HG2% A 103 LEU CD2 A 186 VAL CG2 1 . ' 186ValH 103LeuC 186ValC ' . 1 119 138 122294185 . 5288832 . 0.5476036927 . 22.04859858 . 14.8259134 . A 104 ILE HG1% A 109 THR CG2 A 104 ILE CD1 1 . ' 104IleH 109ThrC 104IleC ' . 1 120 139 96947805 . 4212059.5 . 1.430353424 . 14.82704879 . 22.0433303 . A 109 THR HG2% A 104 ILE CD1 A 109 THR CG2 1 . ' 109ThrH 104IleC 109ThrC ' . 1 121 140 611156128 . 26669382 . 0.5466369819 . 23.04722246 . 14.83215533 . A 104 ILE HG1% A 172 VAL CG2 A 104 ILE CD1 1 . ' 104IleH 172ValC 104IleC ' . 1 122 141 680989246 . 30253540 . 1.239410931 . 14.83340896 . 23.04657271 . A 172 VAL HG2% A 104 ILE CD1 A 172 VAL CG2 1 . ' 172ValH 104IleC 172ValC ' . 1 123 142 279233013 . 11882604 . -0.8714454821 . 22.0730834 . 21.39883832 . A 107 LEU HD2% A 150 VAL CG2 A 107 LEU CD2 1 . ' 107LeuH 150ValC 107LeuC ' . 1 124 143 300992912 . 12796692 . 0.8232872737 . 21.38005209 . 22.07584047 . A 150 VAL HG2% A 107 LEU CD2 A 150 VAL CG2 1 . ' 150ValH 107LeuC 150ValC ' . 1 125 144 61616018.38 . 2646434.25 . -0.8721146589 . 19.47262191 . 21.39517138 . A 107 LEU HD2% A 152 THR CG2 A 107 LEU CD2 1 . ' 107LeuH 152ThrC 107LeuC ' . 1 126 145 71634120.75 . 3035803.5 . 1.419394905 . 21.37709129 . 19.47001324 . A 152 THR HG2% A 107 LEU CD2 A 152 THR CG2 1 . ' 152ThrH 107LeuC 152ThrC ' . 1 127 146 111237867.8 . 4706938 . 1.430872298 . 11.67812139 . 22.05081441 . A 109 THR HG2% A 110 ILE CD1 A 109 THR CG2 1 . ' 109ThrH 110IleC 109ThrC ' . 1 128 147 168414652 . 7348409 . 0.8070325112 . 22.04955908 . 11.7001122 . A 110 ILE HD1% A 109 THR CG2 A 110 ILE CD1 1 . ' 110IleH 109ThrC 110IleC ' . 1 129 150 75649434 . 3268815 . 1.2381057 . 22.0544243 . 23.04235135 . A 172 VAL HG2% A 109 THR CG2 A 172 VAL CG2 1 . ' 172ValH (109Thr/150Val)C 172ValC ' . 1 130 151 62228767 . 2675546.5 . 1.429772407 . 23.07217388 . 22.04933386 . A 109 THR HG2% A 172 VAL CG2 A 109 THR CG2 1 . ' 109ThrH 172ValC 109ThrC ' . 1 131 150 75649434 . 3268815 . 1.2381057 . 22.0544243 . 23.04235135 . A 172 VAL HG2% A 150 VAL CG2 A 172 VAL CG2 1 . ' 172ValH (109Thr/150Val)C 172ValC ' . 1 132 152 84562632 . 3292898.5 . 0.8245677657 . 23.04576293 . 22.05 . A 150 VAL HG2% A 172 VAL CG2 A 150 VAL CG2 1 . ' 150ValH 172ValC 150ValC ' . 1 133 280 114014715.2 . 5001891.5 . 1.4062301 . 23.63436459 . 18.59991312 . A 111 ALA HB% A 115 THR CG2 A 111 ALA CB 1 . ' 111AlaH 115ThrC 111AlaC ' . 1 134 281 118640422.2 . 5172239 . 1.087998225 . 18.60191318 . 23.63381843 . A 115 THR HG2% A 111 ALA CB A 115 THR CG2 1 . ' 115ThrH 111AlaC 115ThrC ' . 1 135 157 32191139.62 . 1388846.25 . 1.406539906 . 17.56021965 . 18.56632928 . A 111 ALA HB% A 136 VAL CG2 A 111 ALA CB 1 . ' 111AlaH (98Met/136Val)C 111AlaC ' . 1 136 158 39985998.25 . 1736791.875 . 0.5594354953 . 18.6172612 . 17.57361967 . A 136 VAL HG2% A 111 ALA CB A 136 VAL CG2 1 . ' 136ValH 111AlaC 136ValC ' . 1 137 155 251749740.5 . 10821675 . 1.088695135 . 11.52463957 . 23.63582372 . A 115 THR HG2% A 26 ILE CD1 A 115 THR CG2 1 . ' 115ThrH (26Ile/110Ile)C 115ThrC ' . 1 138 156 229976470 . 9781086 . 0.8945916365 . 23.63675042 . 11.5242791 . A 26 ILE HD1% A 115 THR CG2 A 26 ILE CD1 1 . ' 26IleH 115ThrC 26IleC ' . 1 139 162 731447194 . 32299530 . 1.088388231 . 16.60256268 . 23.63587735 . A 115 THR HG2% A 119 MET CE A 115 THR CG2 1 . ' 115ThrH 119MetC 115ThrC ' . 1 140 163 1199124800 . 53780428 . 2.025005054 . 23.63806768 . 16.60354956 . A 119 MET HE% A 115 THR CG2 A 119 MET CE 1 . ' 119MetH 115ThrC 119MetC ' . 1 141 164 229023844.5 . 10019273 . 1.088396195 . 17.54470163 . 23.63933853 . A 115 THR HG2% A 136 VAL CG2 A 115 THR CG2 1 . ' 115ThrH 136ValC 115ThrC ' . 1 142 165 281590452 . 12314303 . 0.5585848866 . 23.64034678 . 17.54712632 . A 136 VAL HG2% A 115 THR CG2 A 136 VAL CG2 1 . ' 136ValH 115ThrC 136ValC ' . 1 143 93 129291028.2 . 5596547 . 0.3964611773 . 16.53919456 . 22.26276666 . A 122 LEU HD2% A 119 MET CE A 122 LEU CD2 1 . ' 122LeuH (121Ala/119Met)C 122LeuC ' . 1 144 171 87784003.25 . 3926814.75 . 2.024338701 . 22.26009311 . 16.60283122 . A 119 MET HE% A 122 LEU CD2 A 119 MET CE 1 . ' 119MetH 122LeuC 119MetC ' . 1 145 168 40576180.25 . 1726897.5 . 1.336753582 . 18.0235127 . 16.51020585 . A 121 ALA HB% A 117 ALA CB A 121 ALA CB 1 . ' 121AlaH 117AlaC 121AlaC ' . 1 146 169 39249561.5 . 1777478.5 . 1.641816978 . 16.52124391 . 18.02143229 . A 117 ALA HB% A 121 ALA CB A 117 ALA CB 1 . ' 117AlaH 121AlaC 117AlaC ' . 1 147 92 94945010.5 . 4208838 . 1.341061218 . 22.26324764 . 16.50622685 . A 121 ALA HB% A 122 LEU CD2 A 121 ALA CB 1 . ' 121AlaH 122LeuC 121AlaC ' . 1 148 93 129291028.2 . 5596547 . 0.3964611773 . 16.53919456 . 22.26276666 . A 122 LEU HD2% A 121 ALA CB A 122 LEU CD2 1 . ' 122LeuH (121Ala/119Met)C 122LeuC ' . 1 149 160 75897363.25 . 3319949.5 . 1.339787739 . 18.61401866 . 16.51468311 . A 121 ALA HB% A 124 ALA CB A 121 ALA CB 1 . ' 121AlaH 124AlaC 121AlaC ' . 1 150 172 80306599.25 . 3562538.5 . 1.5033087 . 16.51673385 . 18.60884118 . A 124 ALA HB% A 121 ALA CB A 124 ALA CB 1 . ' 124AlaH 121AlaC 124AlaC ' . 1 151 175 308140729 . 13530664 . 1.252187773 . 16.50884614 . 19.26399745 . A 126 ALA HB% A 121 ALA CB A 126 ALA CB 1 . ' 126AlaH 121AlaC 126AlaC ' . 1 152 176 311414047 . 13742120 . 1.340899958 . 19.26491425 . 16.50921332 . A 121 ALA HB% A 126 ALA CB A 121 ALA CB 1 . ' 121AlaH 126AlaC 121AlaC ' . 1 153 177 33487789.62 . 1437211.25 . 0.3951974559 . 26.2865045 . 22.2575081 . A 122 LEU HD2% A 29 LEU CD2 A 122 LEU CD2 1 . ' 122LeuH 29LeuC 122LeuC ' . 1 154 178 40130624.25 . 1736524.75 . 0.8717699298 . 22.25680388 . 26.27013842 . A 29 LEU HD2% A 122 LEU CD2 A 29 LEU CD2 1 . ' 29LeuH 122LeuC 29LeuC ' . 1 155 179 307667763 . 13587660 . 1.251615902 . 22.26337364 . 19.25233325 . A 126 ALA HB% A 122 LEU CD2 A 126 ALA CB 1 . ' 126AlaH 122LeuC 126AlaC ' . 1 156 180 313753763 . 13765880 . 0.397062176 . 19.25381917 . 22.26517046 . A 122 LEU HD2% A 126 ALA CB A 122 LEU CD2 1 . ' 122LeuH 126AlaC 122LeuC ' . 1 157 181 87782565.75 . 3862976.75 . 0.395783043 . 16.97772008 . 22.26028074 . A 122 LEU HD2% A 130 MET CE A 122 LEU CD2 1 . ' 122LeuH 130MetC 122LeuC ' . 1 158 182 152126984.2 . 6830658 . 2.19798802 . 22.27022237 . 16.97655104 . A 130 MET HE% A 122 LEU CD2 A 130 MET CE 1 . ' 130MetH 122LeuC 130MetC ' . 1 159 183 113037486.2 . 4991447.5 . 0.3967692745 . 14.53602469 . 22.2604205 . A 122 LEU HD2% A 131 ILE CD1 A 122 LEU CD2 1 . ' 122LeuH 131IleC 122LeuC ' . 1 160 184 148042289.5 . 6497094 . 0.666043287 . 22.2630818 . 14.52777549 . A 131 ILE HD1% A 122 LEU CD2 A 131 ILE CD1 1 . ' 131IleH 122LeuC 131IleC ' . 1 161 185 120874547.5 . 5288462 . 0.3958032514 . 24.16142564 . 22.2568388 . A 122 LEU HD2% A 143 LEU CD2 A 122 LEU CD2 1 . ' 122LeuH 143LeuC 122LeuC ' . 1 162 186 101880534.5 . 4469287 . 1.045331574 . 22.26434618 . 24.16252598 . A 143 LEU HD2% A 122 LEU CD2 A 143 LEU CD2 1 . ' 143LeuH 122LeuC 143LeuC ' . 1 163 173 113513563.2 . 5036360 . 1.503517263 . 19.247387 . 18.62084089 . A 124 ALA HB% A 126 ALA CB A 124 ALA CB 1 . ' 124AlaH 126AlaC 124AlaC ' . 1 164 174 70358195.75 . 3059266.5 . 1.25091625 . 18.60946945 . 19.25796517 . A 126 ALA HB% A 124 ALA CB A 126 ALA CB 1 . ' 126AlaH 124AlaC 126AlaC ' . 1 165 191 532549348 . 23904204 . 2.197737494 . 19.25382896 . 16.97771837 . A 130 MET HE% A 126 ALA CB A 130 MET CE 1 . ' 130MetH 126AlaC 130MetC ' . 1 166 192 315087037 . 14048435 . 1.251180023 . 16.9781735 . 19.2576634 . A 126 ALA HB% A 130 MET CE A 126 ALA CB 1 . ' 126AlaH 130MetC 126AlaC ' . 1 167 85 258254230 . 11459963 . 1.340504913 . 16.97118936 . 16.50473483 . A 121 ALA HB% A 130 MET CE A 121 ALA CB 1 . ' 121AlaH 130MetC 121AlaC ' . 1 168 86 496590236 . 22642524 . 2.198639921 . 16.50915684 . 16.97783718 . A 130 MET HE% A 121 ALA CB A 130 MET CE 1 . ' 130MetH 121AlaC 130MetC ' . 1 169 193 116558265.5 . 5151420 . 0.6652414753 . 24.44484869 . 14.52387435 . A 131 ILE HD1% A 32 LEU CD2 A 131 ILE CD1 1 . ' 131IleH 32LeuC 131IleC ' . 1 170 194 89559167.25 . 4022638.25 . 0.7733702666 . 14.52943894 . 24.44866071 . A 32 LEU HD2% A 131 ILE CD1 A 32 LEU CD2 1 . ' 32LeuH 131IleC 32LeuC ' . 1 171 195 111652820.8 . 4890661.5 . 0.666340456 . 23.64772617 . 14.52717223 . A 131 ILE HD1% A 115 THR CG2 A 131 ILE CD1 1 . ' 131IleH 115ThrC 131IleC ' . 1 172 196 91925943.75 . 4041044.75 . 1.088930414 . 14.52821712 . 23.6427063 . A 115 THR HG2% A 131 ILE CD1 A 115 THR CG2 1 . ' 115ThrH 131IleC 115ThrC ' . 1 173 201 63892209.25 . 2753494.25 . 0.6655689009 . 16.58439774 . 14.52948294 . A 131 ILE HD1% A 119 MET CE A 131 ILE CD1 1 . ' 131IleH 119MetC 131IleC ' . 1 174 202 58172927 . 2652400 . 2.021367755 . 14.53355161 . 16.60311048 . A 119 MET HE% A 131 ILE CD1 A 119 MET CE 1 . ' 119MetH 131IleC 119MetC ' . 1 175 197 513389468 . 22544336 . 0.6657139028 . 17.54716199 . 14.53100219 . A 131 ILE HD1% A 136 VAL CG2 A 131 ILE CD1 1 . ' 131IleH 136ValC 131IleC ' . 1 176 198 506778493 . 22336444 . 0.5580761652 . 14.53037661 . 17.54723773 . A 136 VAL HG2% A 131 ILE CD1 A 136 VAL CG2 1 . ' 136ValH 131IleC 136ValC ' . 1 177 199 151651186 . 6669172 . 0.6656553832 . 24.16255066 . 14.53754499 . A 131 ILE HD1% A 143 LEU CD2 A 131 ILE CD1 1 . ' 131IleH 143LeuC 131IleC ' . 1 178 200 126047308.8 . 5576062 . 1.04630869 . 14.53307556 . 24.16253615 . A 143 LEU HD2% A 131 ILE CD1 A 143 LEU CD2 1 . ' 143LeuH 131IleC 143LeuC ' . 1 179 205 90103097.25 . 3860729 . 0.5588360981 . 11.53116132 . 17.55243463 . A 136 VAL HG2% A 26 ILE CD1 A 136 VAL CG2 1 . ' 136ValH 26IleC 136ValC ' . 1 180 206 69078940.5 . 2876080.5 . 0.8938260967 . 17.55862107 . 11.52590105 . A 26 ILE HD1% A 136 VAL CG2 A 26 ILE CD1 1 . ' 26IleH 136ValC 26IleC ' . 1 181 101 169353616.5 . 7458061 . 2.023637252 . 17.55511062 . 16.60255655 . A 119 MET HE% A 136 VAL CG2 A 119 MET CE 1 . ' 119MetH 136ValC 119MetC ' . 1 182 103 110561120.8 . 4849486.5 . 0.5573050932 . 16.60404277 . 17.54875148 . A 136 VAL HG2% A 119 MET CE A 136 VAL CG2 1 . ' 136ValH 119MetC 136ValC ' . 1 183 207 48487624.5 . 2093404.75 . 0.557806239 . 22.2733028 . 17.52708668 . A 136 VAL HG2% A 122 LEU CD2 A 136 VAL CG2 1 . ' 136ValH 122LeuC 136ValC ' . 1 184 208 37600420.62 . 1676754.375 . 0.3957519254 . 17.54581172 . 22.25477607 . A 122 LEU HD2% A 136 VAL CG2 A 122 LEU CD2 1 . ' 122LeuH 136ValC 122LeuC ' . 1 185 211 38020841.88 . 1628982 . 0.8963279735 . 25.06382555 . 12.82100224 . A 151 ILE HD1% A 103 LEU CD2 A 151 ILE CD1 1 . ' 151IleH 103LeuC 151IleC ' . 1 186 212 28245011 . 1228990.375 . 0.7934128947 . 12.83182844 . 25.03938848 . A 103 LEU HD2% A 151 ILE CD1 A 103 LEU CD2 1 . ' 103LeuH 151IleC 103LeuC ' . 1 187 214 26902039.12 . 1134476 . 0.7894418676 . 16.6001229 . 25.02554342 . A 103 LEU HD2% A 180 MET CE A 103 LEU CD2 1 . ' 103LeuH 180MetC 103LeuC ' . 1 188 215 37999434.88 . 1630938.875 . 1.805286505 . 25.06357884 . 16.58543701 . A 180 MET HE% A 103 LEU CD2 A 180 MET CE 1 . ' 180MetH 103LeuC 180MetC ' . 1 189 213 71105404.25 . 3041548 . 1.021967599 . 25.06951479 . 22.86143182 . A 184 THR HG2% A 103 LEU CD2 A 184 THR CG2 1 . ' 184ThrH 103LeuC 184ThrC ' . 1 190 136 382837352 . 16375885 . 0.7940331764 . 23.04539395 . 25.06480952 . A 103 LEU HD2% A 184 THR CG2 A 103 LEU CD2 1 . ' 103LeuH (172Val/184Thr)C 103LeuC ' . 1 191 37 39277488.62 . 1657521.625 . 0.8972972905 . 22.06101338 . 11.50523127 . A 26 ILE HD1% A 109 THR CG2 A 26 ILE CD1 1 . ' 26IleH 109ThrC 26IleC ' . 1 192 47 33367290 . 1386935.25 . 0.872122579 . 18.59879076 . 26.27750158 . A 29 LEU HD2% A 111 ALA CB A 29 LEU CD2 1 . ' 29LeuH 111AlaC 29LeuC ' . 1 193 46 25610450.12 . 1105704.75 . 1.409053977 . 26.26162332 . 18.59694812 . A 111 ALA HB% A 29 LEU CD2 A 111 ALA CB 1 . ' 111AlaH 29LeuC 111AlaC ' . 1 194 59 93801303 . 4038810 . 0.7740659367 . 23.65307788 . 24.44603613 . A 32 LEU HD2% A 115 THR CG2 A 32 LEU CD2 1 . ' 32LeuH 115ThrC 32LeuC ' . 1 195 60 62442141.12 . 2698359 . 1.088421214 . 24.4364098 . 23.63714107 . A 115 THR HG2% A 32 LEU CD2 A 115 THR CG2 1 . ' 115ThrH 32LeuC 115ThrC ' . 1 196 68 44479335.12 . 1943033.25 . 0.7757310404 . 17.5505932 . 24.43782005 . A 32 LEU HD2% A 136 VAL CG2 A 32 LEU CD2 1 . ' 32LeuH 136ValC 32LeuC ' . 1 197 69 55720405.88 . 2405622.25 . 0.5559994382 . 24.4455092 . 17.54250485 . A 136 VAL HG2% A 32 LEU CD2 A 136 VAL CG2 1 . ' 136ValH 32LeuC 136ValC ' . 1 198 74 26850527.31 . 1216148.25 . 0.9872498633 . 14.53191065 . 20.62115779 . A 36 THR HG2% A 131 ILE CD1 A 36 THR CG2 1 . ' 36ThrH 131IleC 36ThrC ' . 1 199 75 41126490.62 . 1771516 . 0.6676286669 . 20.56537764 . 14.53321959 . A 131 ILE HD1% A 36 THR CG2 A 131 ILE CD1 1 . ' 131IleH 36ThrC 131IleC ' . 1 200 76 83821463.25 . 3393604 . 0.6826163708 . 22.22079254 . 15.11 . A 43 ILE HD1% A 122 LEU CD2 A 43 ILE CD1 1 . ' 43IleH 122LeuC 43IleC ' . 1 201 77 48309031.5 . 2110577.75 . 0.3960774294 . 15.1099593 . 22.25014293 . A 122 LEU HD2% A 43 ILE CD1 A 122 LEU CD2 1 . ' 122LeuH 43IleC 122LeuC ' . 1 202 78 45306813.38 . 1933579.375 . 0.6814227442 . 17.52553692 . 15.10460402 . A 43 ILE HD1% A 136 VAL CG2 A 43 ILE CD1 1 . ' 43IleH 136ValC 43IleC ' . 1 203 79 45864898.5 . 2012989.125 . 0.5576559605 . 15.1209981 . 17.55318736 . A 136 VAL HG2% A 43 ILE CD1 A 136 VAL CG2 1 . ' 136ValH 43IleC 136ValC ' . 1 204 87 43237971.75 . 1896191.5 . 0.9087209561 . 17.57580604 . 22.52352284 . A 48 LEU HD2% A 98 MET CE A 48 LEU CD2 1 . ' 48LeuH 98MetC 48LeuC ' . 1 205 88 85626929.5 . 3676586.5 . 1.733134548 . 22.55472101 . 17.57422409 . A 98 MET HE% A 48 LEU CD2 A 98 MET CE 1 . ' 98MetH 48LeuC 98MetC ' . 1 206 130 29598143.56 . 1273893.375 . 0.7932095747 . 11.70448441 . 25.05860619 . A 103 LEU HD2% A 110 ILE CD1 A 103 LEU CD2 1 . ' 103LeuH 110IleC 103LeuC ' . 1 207 131 38827913.38 . 1683392.375 . 0.8100709242 . 25.07041142 . 11.7117487 . A 110 ILE HD1% A 103 LEU CD2 A 110 ILE CD1 1 . ' 110IleH 103LeuC 110IleC ' . 1 208 35 33731633.88 . 1455717.25 . 1.47527685 . 16.60173153 . 18.7833431 . A 24 ALA HB% A 119 MET CE A 24 ALA CB 1 . ' 24AlaH 119MetC 24AlaC ' . 1 209 36 71622200.5 . 3050148.5 . 2.024251735 . 18.79081067 . 16.6 . A 119 MET HE% A 24 ALA CB A 119 MET CE 1 . ' 119MetH 24AlaC 119MetC ' . 1 210 66 37912729.12 . 1669135.875 . 0.7739904889 . 19.26124887 . 24.43623851 . A 32 LEU HD2% A 126 ALA CB A 32 LEU CD2 1 . ' 32LeuH 126AlaC 32LeuC ' . 1 211 67 34632991.62 . 1514650.5 . 1.248054116 . 24.44093752 . 19.27568977 . A 126 ALA HB% A 32 LEU CD2 A 126 ALA CB 1 . ' 126AlaH 32LeuC 126AlaC ' . 1 212 116 28436207 . 1233042.5 . 1.730764507 . 14.30258341 . 17.57648726 . A 98 MET HE% A 187 ILE CD1 A 98 MET CE 1 . ' 98MetH (187Ile/59Ile)C 98MetC ' . 1 213 116 28436207 . 1233042.5 . 1.730764507 . 14.30258341 . 17.57648726 . A 98 MET HE% A 59 ILE CD1 A 98 MET CE 1 . ' 98MetH (187Ile/59Ile)C 98MetC ' . 1 214 122 36274255.12 . 1527472.5 . 0.5464016181 . 20.77947276 . 14.84958916 . A 104 ILE HG1% A 99 THR CG2 A 104 ILE CD1 1 . ' 104IleH (99Thr/19Thr)C 104IleC ' . 1 215 122 36274255.12 . 1527472.5 . 0.5464016181 . 20.77947276 . 14.84958916 . A 104 ILE HG1% A 19 THR CG2 A 104 ILE CD1 1 . ' 104IleH (99Thr/19Thr)C 104IleC ' . 1 216 39 149179559.5 . 6431188 . 1.406468548 . 11.53076187 . 18.60385795 . A 111 ALA HB% A 110 ILE CD1 A 111 ALA CB 1 . ' 111AlaH (110Ile/26Ile)C 111AlaC ' . 1 217 153 40598868.75 . 1776585.25 . 0.808645724 . 18.60724353 . 11.6985017 . A 110 ILE HD1% A 111 ALA CB A 110 ILE CD1 1 . ' 110IleH 111AlaC 110IleC ' . 1 218 154 37253599.5 . 1631962.5 . 0.8101400672 . 23.6332232 . 11.69588931 . A 110 ILE HD1% A 115 THR CG2 A 110 ILE CD1 1 . ' 110IleH 115ThrC 110IleC ' . 1 219 155 251749740.5 . 10821675 . 1.088695135 . 11.52463957 . 23.63582372 . A 115 THR HG2% A 110 ILE CD1 A 115 THR CG2 1 . ' 115ThrH (26Ile/110Ile)C 115ThrC ' . 1 220 187 26586542.44 . 1138484.125 . 0.388000597 . 18.62378022 . 22.27665157 . A 122 LEU HD2% A 124 ALA CB A 122 LEU CD2 1 . ' 122LeuH 124AlaC 122LeuC ' . 1 221 188 31607992.88 . 1362688 . 1.504957752 . 22.27606702 . 18.60256397 . A 124 ALA HB% A 122 LEU CD2 A 124 ALA CB 1 . ' 124AlaH 122LeuC 124AlaC ' . 1 222 189 27823738.25 . 1224333.5 . 1.500912395 . 16.96451968 . 18.6166014 . A 124 ALA HB% A 130 MET CE A 124 ALA CB 1 . ' 124AlaH 130MetC 124AlaC ' . 1 223 190 66137857.12 . 2954960.25 . 2.195237534 . 18.6377479 . 16.96778054 . A 130 MET HE% A 124 ALA CB A 130 MET CE 1 . ' 130MetH 124AlaC 130MetC ' . 1 224 209 30814523.38 . 1336067.75 . 0.5574321441 . 24.15390087 . 17.54259548 . A 136 VAL HG2% A 143 LEU CD2 A 136 VAL CG2 1 . ' 136ValH 143LeuC 136ValC ' . 1 225 210 28027956.62 . 1171313.875 . 1.047318049 . 17.53801506 . 24.15976183 . A 143 LEU HD2% A 136 VAL CG2 A 143 LEU CD2 1 . ' 143LeuH 136ValC 143LeuC ' . 1 226 117 66931272.75 . 2998995.75 . 1.239414153 . 17.57698496 . 23.04700928 . A 172 VAL HG2% A 98 MET CE A 172 VAL CG2 1 . ' 172ValH 98MetC 172ValC ' . 1 227 159 49812572.62 . 2192435.5 . 1.407238685 . 16.57614598 . 18.62292924 . A 111 ALA HB% A 119 MET CE A 111 ALA CB 1 . ' 111AlaH (119Met/180Met)C 111AlaC ' . 1 228 161 81350693.5 . 3508799 . 2.022491348 . 18.63957252 . 16.60834785 . A 119 MET HE% A 111 ALA CB A 119 MET CE 1 . ' 119MetH (111Ala/124Ala)C 119MetC ' . 1 229 279 50545762.75 . 2430930 . 1.411505696 . 19.33176624 . 18.60269719 . A 111 ALA HB% A 21 ALA CB A 111 ALA CB 1 . ' 111AlaH 21AlaC 111AlaC ' . 1 230 112 24535462.75 . 1078501.75 . 1.728519986 . 16.19478287 . 17.59057635 . A 98 MET HE% A 91 ILE CD1 A 98 MET CE 1 . ' 98MetH 91IleC 98MetC ' . 1 231 113 38450024.25 . 1634429.625 . 0.8048316295 . 17.61453266 . 16.19118144 . A 91 ILE HD1% A 98 MET CE A 91 ILE CD1 1 . ' 91IleH 98MetC 91IleC ' . 1 232 114 30384320.06 . 1324028.375 . 0.8956834908 . 17.56767466 . 12.821086 . A 151 ILE HD1% A 98 MET CE A 151 ILE CD1 1 . ' 151IleH 98MetC 151IleC ' . 1 233 115 24276199.38 . 1089694.5 . 1.731220384 . 12.80621843 . 17.56656209 . A 98 MET HE% A 151 ILE CD1 A 98 MET CE 1 . ' 98MetH 151IleC 98MetC ' . 1 234 3 41868825.38 . 1816888 . 1.732501124 . 11.68416556 . 17.56408964 . A 98 MET HE% A 110 ILE CD1 A 98 MET CE 1 . ' 98MetH 110IleC 98MetC ' . 1 235 4 57850088.75 . 2528038.5 . 0.8062520088 . 17.58301591 . 11.70636018 . A 110 ILE HD1% A 98 MET CE A 110 ILE CD1 1 . ' 110IleH 98MetC 110IleC ' . 1 236 6 14116970.62 . 640321.5 . 0.5465622148 . 11.70382116 . 14.78906173 . A 104 ILE HG1% A 110 ILE CD1 A 104 ILE CD1 1 . ' 104IleH 110IleC 104IleC ' . 1 237 7 29833550 . 1276935.75 . 0.8030454774 . 14.8568574 . 11.73080271 . A 110 ILE HD1% A 104 ILE CD1 A 110 ILE CD1 1 . ' 110IleH 104IleC 110IleC ' . 1 238 9 27661065.25 . 1211453 . 0.5417649304 . 21.3119318 . 14.8177581 . A 104 ILE HG1% A 149 THR CG2 A 104 ILE CD1 1 . ' 104IleH 149ThrC 104IleC ' . 1 239 10 18253103.75 . 707620.25 . 1.484898412 . 14.84191042 . 21.3 . A 149 THR HG2% A 104 ILE CD1 A 149 THR CG2 1 . ' 149ThrH 104IleC 149ThrC ' . 1 240 11 89006690.25 . 3758571.25 . -0.870888615 . 22.85390062 . 21.40347755 . A 107 LEU HD2% A 184 THR CG2 A 107 LEU CD2 1 . ' 107LeuH 184ThrC 107LeuC ' . 1 241 12 92481783 . 3892647 . 1.023163039 . 21.35254289 . 22.86074897 . A 184 THR HG2% A 107 LEU CD2 A 184 THR CG2 1 . ' 184ThrH 107LeuC 184ThrC ' . 1 242 236 62595127.5 . 2596477.25 . -0.869919418 . 22.52398533 . 21.39023151 . A 107 LEU HD2% A 48 LEU CD2 A 107 LEU CD2 1 . ' 107LeuH 48LeuC 107LeuC ' . 1 243 238 60665472.62 . 2558442.75 . 0.9112859833 . 21.35048704 . 22.52277712 . A 48 LEU HD2% A 107 LEU CD2 A 48 LEU CD2 1 . ' 48LeuH 107LeuC 48LeuC ' . 1 244 29 89468205.5 . 3838027 . 0.6293120179 . 16.91668983 . 13.31678931 . A 33 ILE HD1% A 130 MET CE A 33 ILE CD1 1 . ' (33Ile/128Ile)H 130MetC (33Ile/128Ile)C ' . 1 245 29 89468205.5 . 3838027 . 0.6293120179 . 16.91668983 . 13.31678931 . A 33 ILE HD1% A 130 MET CE A 128 ILE CD1 1 . ' (33Ile/128Ile)H 130MetC (33Ile/128Ile)C ' . 1 246 29 89468205.5 . 3838027 . 0.6293120179 . 16.91668983 . 13.31678931 . A 128 ILE HD1% A 130 MET CE A 33 ILE CD1 1 . ' (33Ile/128Ile)H 130MetC (33Ile/128Ile)C ' . 1 247 29 89468205.5 . 3838027 . 0.6293120179 . 16.91668983 . 13.31678931 . A 128 ILE HD1% A 130 MET CE A 128 ILE CD1 1 . ' (33Ile/128Ile)H 130MetC (33Ile/128Ile)C ' . 1 248 30 50234695 . 2276141 . 2.19503955 . 13.32486441 . 16.9813434 . A 130 MET HE% A 33 ILE CD1 A 130 MET CE 1 . ' 130MetH (33Ile/128Ile)C 130MetC ' . 1 249 30 50234695 . 2276141 . 2.19503955 . 13.32486441 . 16.9813434 . A 130 MET HE% A 128 ILE CD1 A 130 MET CE 1 . ' 130MetH (33Ile/128Ile)C 130MetC ' . 1 250 23 86003086 . 3681141.5 . 0.8620127049 . 20.86109469 . 14.31801701 . A 59 ILE HD1% A 99 THR CG2 A 59 ILE CD1 1 . ' (187Ile/59Ile)H (99Thr/186Val)C (187Ile/59Ile)C ' . 1 251 23 86003086 . 3681141.5 . 0.8620127049 . 20.86109469 . 14.31801701 . A 59 ILE HD1% A 99 THR CG2 A 187 ILE CD1 1 . ' (187Ile/59Ile)H (99Thr/186Val)C (187Ile/59Ile)C ' . 1 252 23 86003086 . 3681141.5 . 0.8620127049 . 20.86109469 . 14.31801701 . A 59 ILE HD1% A 186 VAL CG2 A 59 ILE CD1 1 . ' (187Ile/59Ile)H (99Thr/186Val)C (187Ile/59Ile)C ' . 1 253 23 86003086 . 3681141.5 . 0.8620127049 . 20.86109469 . 14.31801701 . A 59 ILE HD1% A 186 VAL CG2 A 187 ILE CD1 1 . ' (187Ile/59Ile)H (99Thr/186Val)C (187Ile/59Ile)C ' . 1 254 23 86003086 . 3681141.5 . 0.8620127049 . 20.86109469 . 14.31801701 . A 187 ILE HD1% A 99 THR CG2 A 59 ILE CD1 1 . ' (187Ile/59Ile)H (99Thr/186Val)C (187Ile/59Ile)C ' . 1 255 23 86003086 . 3681141.5 . 0.8620127049 . 20.86109469 . 14.31801701 . A 187 ILE HD1% A 99 THR CG2 A 187 ILE CD1 1 . ' (187Ile/59Ile)H (99Thr/186Val)C (187Ile/59Ile)C ' . 1 256 23 86003086 . 3681141.5 . 0.8620127049 . 20.86109469 . 14.31801701 . A 187 ILE HD1% A 186 VAL CG2 A 59 ILE CD1 1 . ' (187Ile/59Ile)H (99Thr/186Val)C (187Ile/59Ile)C ' . 1 257 23 86003086 . 3681141.5 . 0.8620127049 . 20.86109469 . 14.31801701 . A 187 ILE HD1% A 186 VAL CG2 A 187 ILE CD1 1 . ' (187Ile/59Ile)H (99Thr/186Val)C (187Ile/59Ile)C ' . 1 258 24 22080001.62 . 963961.5 . 0.6626313263 . 14.24724385 . 20.84875564 . A 99 THR HG2% A 59 ILE CD1 A 99 THR CG2 1 . ' 99ThrH (187Ile/59Ile)C 99ThrC ' . 1 259 24 22080001.62 . 963961.5 . 0.6626313263 . 14.24724385 . 20.84875564 . A 99 THR HG2% A 187 ILE CD1 A 99 THR CG2 1 . ' 99ThrH (187Ile/59Ile)C 99ThrC ' . 1 260 25 32716651.19 . 1395522.625 . 1.07819159 . 14.33781665 . 20.85659795 . A 186 VAL HG2% A 59 ILE CD1 A 186 VAL CG2 1 . ' 186ValH (187Ile/59Ile)C 186ValC ' . 1 261 25 32716651.19 . 1395522.625 . 1.07819159 . 14.33781665 . 20.85659795 . A 186 VAL HG2% A 187 ILE CD1 A 186 VAL CG2 1 . ' 186ValH (187Ile/59Ile)C 186ValC ' . 1 262 82 37418334 . 1647390.625 . 0.7755412091 . 16.92031267 . 24.45312649 . A 32 LEU HD2% A 130 MET CE A 32 LEU CD2 1 . ' 32LeuH 130MetC 32LeuC ' . 1 263 83 32838703.5 . 1411258 . 2.196551476 . 24.44068712 . 16.99498124 . A 130 MET HE% A 32 LEU CD2 A 130 MET CE 1 . ' 130MetH 32LeuC 130MetC ' . 1 264 241 142337926 . 5928459.5 . -0.8725520813 . 20.88043 . 21.38863102 . A 107 LEU HD2% A 99 THR CG2 A 107 LEU CD2 1 . ' 107LeuH (99Thr/186Val)C 107LeuC ' . 1 265 241 142337926 . 5928459.5 . -0.8725520813 . 20.88043 . 21.38863102 . A 107 LEU HD2% A 186 VAL CG2 A 107 LEU CD2 1 . ' 107LeuH (99Thr/186Val)C 107LeuC ' . 1 266 242 147514511.5 . 6130790 . 1.07865438 . 21.35573514 . 20.8573126 . A 186 VAL HG2% A 107 LEU CD2 A 186 VAL CG2 1 . ' 186ValH 107LeuC 186ValC ' . 1 267 258 70279711.5 . 3053322.25 . 1.420005785 . 20.83807154 . 19.47340467 . A 152 THR HG2% A 99 THR CG2 A 152 THR CG2 1 . ' 152ThrH (99Thr/186Val)C 152ThrC ' . 1 268 258 70279711.5 . 3053322.25 . 1.420005785 . 20.83807154 . 19.47340467 . A 152 THR HG2% A 186 VAL CG2 A 152 THR CG2 1 . ' 152ThrH (99Thr/186Val)C 152ThrC ' . 1 269 259 41558711.5 . 1814730 . 1.077629131 . 19.45963922 . 20.85933003 . A 186 VAL HG2% A 152 THR CG2 A 186 VAL CG2 1 . ' 186ValH 152ThrC 186ValC ' . 1 270 260 27561142.75 . 1210969 . 0.6555016185 . 19.4912137 . 20.79967664 . A 99 THR HG2% A 152 THR CG2 A 99 THR CG2 1 . ' 99ThrH 152ThrC 99ThrC ' . 1 271 261 25957753.56 . 1188001.25 . 0.541550599 . 19.48911372 . 14.82672457 . A 104 ILE HG1% A 152 THR CG2 A 104 ILE CD1 1 . ' 104IleH 152ThrC 104IleC ' . 1 272 262 22882483.06 . 996481.375 . 1.418464578 . 14.86354571 . 19.4703365 . A 152 THR HG2% A 104 ILE CD1 A 152 THR CG2 1 . ' 152ThrH 104IleC 152ThrC ' . 1 273 266 22131772.88 . 997088.625 . 1.640708792 . 17.01057612 . 18.01265707 . A 117 ALA HB% A 130 MET CE A 117 ALA CB 1 . ' 117AlaH 130MetC 117AlaC ' . 1 274 267 72070163.38 . 3279320.5 . 2.194098663 . 17.97782266 . 16.97231875 . A 130 MET HE% A 117 ALA CB A 130 MET CE 1 . ' 130MetH 117AlaC 130MetC ' . 1 275 268 71188777.25 . 3084943 . 2.02456848 . 24.15880896 . 16.59643935 . A 119 MET HE% A 143 LEU CD2 A 119 MET CE 1 . ' 119MetH 143LeuC 119MetC ' . 1 276 269 20141913 . 853026.75 . 1.047829905 . 16.56425019 . 24.13427174 . A 143 LEU HD2% A 119 MET CE A 143 LEU CD2 1 . ' 143LeuH 119MetC 143LeuC ' . 1 277 28 29198317.69 . 1272758.75 . 1.342259454 . 13.34460654 . 16.52047659 . A 121 ALA HB% A 128 ILE CD1 A 121 ALA CB 1 . ' 121AlaH 128IleC 121AlaC ' . 1 278 203 41752340 . 1785087.625 . 0.665020082 . 16.926629 . 14.5368293 . A 131 ILE HD1% A 130 MET CE A 131 ILE CD1 1 . ' 131IleH 130MetC 131IleC ' . 1 279 271 28191658.38 . 1212165.125 . 0.6299770679 . 18.58002393 . 13.31271223 . A 33 ILE HD1% A 111 ALA CB A 33 ILE CD1 1 . ' (33Ile/128Ile)H 124AlaC (33Ile/128Ile)C ' . 1 280 271 28191658.38 . 1212165.125 . 0.6299770679 . 18.58002393 . 13.31271223 . A 33 ILE HD1% A 111 ALA CB A 128 ILE CD1 1 . ' (33Ile/128Ile)H 124AlaC (33Ile/128Ile)C ' . 1 281 271 28191658.38 . 1212165.125 . 0.6299770679 . 18.58002393 . 13.31271223 . A 33 ILE HD1% A 124 ALA CB A 33 ILE CD1 1 . ' (33Ile/128Ile)H 124AlaC (33Ile/128Ile)C ' . 1 282 271 28191658.38 . 1212165.125 . 0.6299770679 . 18.58002393 . 13.31271223 . A 33 ILE HD1% A 124 ALA CB A 128 ILE CD1 1 . ' (33Ile/128Ile)H 124AlaC (33Ile/128Ile)C ' . 1 283 271 28191658.38 . 1212165.125 . 0.6299770679 . 18.58002393 . 13.31271223 . A 33 ILE HD1% A 141 ALA CB A 33 ILE CD1 1 . ' (33Ile/128Ile)H 124AlaC (33Ile/128Ile)C ' . 1 284 271 28191658.38 . 1212165.125 . 0.6299770679 . 18.58002393 . 13.31271223 . A 33 ILE HD1% A 141 ALA CB A 128 ILE CD1 1 . ' (33Ile/128Ile)H 124AlaC (33Ile/128Ile)C ' . 1 285 271 28191658.38 . 1212165.125 . 0.6299770679 . 18.58002393 . 13.31271223 . A 128 ILE HD1% A 111 ALA CB A 33 ILE CD1 1 . ' (33Ile/128Ile)H 124AlaC (33Ile/128Ile)C ' . 1 286 271 28191658.38 . 1212165.125 . 0.6299770679 . 18.58002393 . 13.31271223 . A 128 ILE HD1% A 111 ALA CB A 128 ILE CD1 1 . ' (33Ile/128Ile)H 124AlaC (33Ile/128Ile)C ' . 1 287 271 28191658.38 . 1212165.125 . 0.6299770679 . 18.58002393 . 13.31271223 . A 128 ILE HD1% A 124 ALA CB A 33 ILE CD1 1 . ' (33Ile/128Ile)H 124AlaC (33Ile/128Ile)C ' . 1 288 271 28191658.38 . 1212165.125 . 0.6299770679 . 18.58002393 . 13.31271223 . A 128 ILE HD1% A 124 ALA CB A 128 ILE CD1 1 . ' (33Ile/128Ile)H 124AlaC (33Ile/128Ile)C ' . 1 289 271 28191658.38 . 1212165.125 . 0.6299770679 . 18.58002393 . 13.31271223 . A 128 ILE HD1% A 141 ALA CB A 33 ILE CD1 1 . ' (33Ile/128Ile)H 124AlaC (33Ile/128Ile)C ' . 1 290 271 28191658.38 . 1212165.125 . 0.6299770679 . 18.58002393 . 13.31271223 . A 128 ILE HD1% A 141 ALA CB A 128 ILE CD1 1 . ' (33Ile/128Ile)H 124AlaC (33Ile/128Ile)C ' . 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 . . . 4.819 . . 34758 1 2 . . C 13 C-methyl . folded 3849.115 Hz . . . 18.286 . . 34758 1 3 . . C 13 C-methyl . folded 3849.115 Hz . . . 18.286 . . 34758 1 stop_ save_