data_52696 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52696 _Entry.Title ; Tau 151-391 WT ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-11-13 _Entry.Accession_date 2024-11-13 _Entry.Last_release_date 2024-11-14 _Entry.Original_release_date 2024-11-14 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Sofia Lovestam . . . . 52696 2 Jane Wagstaff . . . . 52696 3 Stefan Freund . . . . 52696 4 Sjors Scheres . . . . 52696 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52696 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 597 52696 '15N chemical shifts' 208 52696 '1H chemical shifts' 181 52696 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2026-05-13 . original BMRB . 52696 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 52694 'Tau 297-441 wt' 52696 BMRB 52695 'Tau 297-441 PAD12' 52696 BMRB 52697 'Tau 151-391 PAD12' 52696 BMRB 53230 'Tau 297-441 delta' 52696 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52696 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Twelve phoshomimetic mutations induce the assembly of recombinant full-length human tau into paired helical filaments ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev elife _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Sofia Lovestam . . . . 52696 1 2 Jane Wagstaff . L. . . 52696 1 3 Taxiarchis Katinelos . . . . 52696 1 4 Stefan Freund . M.V. . . 52696 1 5 Michel Goedert . . . . 52696 1 6 Sjors Scheres . H.W. . . 52696 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52696 _Assembly.ID 1 _Assembly.Name 'Tau 151-391 WT' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Tau 151-391 WT' 1 $entity_1 . . yes native no no . . . 52696 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52696 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; IATPRGAAPPGQKGQANATR IPAKTPPAPKTPPSSGEPPK SGDRSGYSSPGSPGTPGSRS RTPSLPTPPTREPKKVAVVR TPPKSPSSAKSRLQTAPVPM PDLKNVKSKIGSTENLKHQP GGGKVQIINKKLDLSNVQSK CGSKDNIKHVPGGGSVQIVY KPVDLSKVTSKCGSLGNIHH KPGGGQVEVKSEKLDFKDRV QSKIGSLDNITHVPGGGNKK IETHKLTFRENAKAKTDHGA E ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'Residue 1 of the construct is residue 151 of full length tau.' _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 241 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ILE . 52696 1 2 . ALA . 52696 1 3 . THR . 52696 1 4 . PRO . 52696 1 5 . ARG . 52696 1 6 . GLY . 52696 1 7 . ALA . 52696 1 8 . ALA . 52696 1 9 . PRO . 52696 1 10 . PRO . 52696 1 11 . GLY . 52696 1 12 . GLN . 52696 1 13 . LYS . 52696 1 14 . GLY . 52696 1 15 . GLN . 52696 1 16 . ALA . 52696 1 17 . ASN . 52696 1 18 . ALA . 52696 1 19 . THR . 52696 1 20 . ARG . 52696 1 21 . ILE . 52696 1 22 . PRO . 52696 1 23 . ALA . 52696 1 24 . LYS . 52696 1 25 . THR . 52696 1 26 . PRO . 52696 1 27 . PRO . 52696 1 28 . ALA . 52696 1 29 . PRO . 52696 1 30 . LYS . 52696 1 31 . THR . 52696 1 32 . PRO . 52696 1 33 . PRO . 52696 1 34 . SER . 52696 1 35 . SER . 52696 1 36 . GLY . 52696 1 37 . GLU . 52696 1 38 . PRO . 52696 1 39 . PRO . 52696 1 40 . LYS . 52696 1 41 . SER . 52696 1 42 . GLY . 52696 1 43 . ASP . 52696 1 44 . ARG . 52696 1 45 . SER . 52696 1 46 . GLY . 52696 1 47 . TYR . 52696 1 48 . SER . 52696 1 49 . SER . 52696 1 50 . PRO . 52696 1 51 . GLY . 52696 1 52 . SER . 52696 1 53 . PRO . 52696 1 54 . GLY . 52696 1 55 . THR . 52696 1 56 . PRO . 52696 1 57 . GLY . 52696 1 58 . SER . 52696 1 59 . ARG . 52696 1 60 . SER . 52696 1 61 . ARG . 52696 1 62 . THR . 52696 1 63 . PRO . 52696 1 64 . SER . 52696 1 65 . LEU . 52696 1 66 . PRO . 52696 1 67 . THR . 52696 1 68 . PRO . 52696 1 69 . PRO . 52696 1 70 . THR . 52696 1 71 . ARG . 52696 1 72 . GLU . 52696 1 73 . PRO . 52696 1 74 . LYS . 52696 1 75 . LYS . 52696 1 76 . VAL . 52696 1 77 . ALA . 52696 1 78 . VAL . 52696 1 79 . VAL . 52696 1 80 . ARG . 52696 1 81 . THR . 52696 1 82 . PRO . 52696 1 83 . PRO . 52696 1 84 . LYS . 52696 1 85 . SER . 52696 1 86 . PRO . 52696 1 87 . SER . 52696 1 88 . SER . 52696 1 89 . ALA . 52696 1 90 . LYS . 52696 1 91 . SER . 52696 1 92 . ARG . 52696 1 93 . LEU . 52696 1 94 . GLN . 52696 1 95 . THR . 52696 1 96 . ALA . 52696 1 97 . PRO . 52696 1 98 . VAL . 52696 1 99 . PRO . 52696 1 100 . MET . 52696 1 101 . PRO . 52696 1 102 . ASP . 52696 1 103 . LEU . 52696 1 104 . LYS . 52696 1 105 . ASN . 52696 1 106 . VAL . 52696 1 107 . LYS . 52696 1 108 . SER . 52696 1 109 . LYS . 52696 1 110 . ILE . 52696 1 111 . GLY . 52696 1 112 . SER . 52696 1 113 . THR . 52696 1 114 . GLU . 52696 1 115 . ASN . 52696 1 116 . LEU . 52696 1 117 . LYS . 52696 1 118 . HIS . 52696 1 119 . GLN . 52696 1 120 . PRO . 52696 1 121 . GLY . 52696 1 122 . GLY . 52696 1 123 . GLY . 52696 1 124 . LYS . 52696 1 125 . VAL . 52696 1 126 . GLN . 52696 1 127 . ILE . 52696 1 128 . ILE . 52696 1 129 . ASN . 52696 1 130 . LYS . 52696 1 131 . LYS . 52696 1 132 . LEU . 52696 1 133 . ASP . 52696 1 134 . LEU . 52696 1 135 . SER . 52696 1 136 . ASN . 52696 1 137 . VAL . 52696 1 138 . GLN . 52696 1 139 . SER . 52696 1 140 . LYS . 52696 1 141 . CYS . 52696 1 142 . GLY . 52696 1 143 . SER . 52696 1 144 . LYS . 52696 1 145 . ASP . 52696 1 146 . ASN . 52696 1 147 . ILE . 52696 1 148 . LYS . 52696 1 149 . HIS . 52696 1 150 . VAL . 52696 1 151 . PRO . 52696 1 152 . GLY . 52696 1 153 . GLY . 52696 1 154 . GLY . 52696 1 155 . SER . 52696 1 156 . VAL . 52696 1 157 . GLN . 52696 1 158 . ILE . 52696 1 159 . VAL . 52696 1 160 . TYR . 52696 1 161 . LYS . 52696 1 162 . PRO . 52696 1 163 . VAL . 52696 1 164 . ASP . 52696 1 165 . LEU . 52696 1 166 . SER . 52696 1 167 . LYS . 52696 1 168 . VAL . 52696 1 169 . THR . 52696 1 170 . SER . 52696 1 171 . LYS . 52696 1 172 . CYS . 52696 1 173 . GLY . 52696 1 174 . SER . 52696 1 175 . LEU . 52696 1 176 . GLY . 52696 1 177 . ASN . 52696 1 178 . ILE . 52696 1 179 . HIS . 52696 1 180 . HIS . 52696 1 181 . LYS . 52696 1 182 . PRO . 52696 1 183 . GLY . 52696 1 184 . GLY . 52696 1 185 . GLY . 52696 1 186 . GLN . 52696 1 187 . VAL . 52696 1 188 . GLU . 52696 1 189 . VAL . 52696 1 190 . LYS . 52696 1 191 . SER . 52696 1 192 . GLU . 52696 1 193 . LYS . 52696 1 194 . LEU . 52696 1 195 . ASP . 52696 1 196 . PHE . 52696 1 197 . LYS . 52696 1 198 . ASP . 52696 1 199 . ARG . 52696 1 200 . VAL . 52696 1 201 . GLN . 52696 1 202 . SER . 52696 1 203 . LYS . 52696 1 204 . ILE . 52696 1 205 . GLY . 52696 1 206 . SER . 52696 1 207 . LEU . 52696 1 208 . ASP . 52696 1 209 . ASN . 52696 1 210 . ILE . 52696 1 211 . THR . 52696 1 212 . HIS . 52696 1 213 . VAL . 52696 1 214 . PRO . 52696 1 215 . GLY . 52696 1 216 . GLY . 52696 1 217 . GLY . 52696 1 218 . ASN . 52696 1 219 . LYS . 52696 1 220 . LYS . 52696 1 221 . ILE . 52696 1 222 . GLU . 52696 1 223 . THR . 52696 1 224 . HIS . 52696 1 225 . LYS . 52696 1 226 . LEU . 52696 1 227 . THR . 52696 1 228 . PHE . 52696 1 229 . ARG . 52696 1 230 . GLU . 52696 1 231 . ASN . 52696 1 232 . ALA . 52696 1 233 . LYS . 52696 1 234 . ALA . 52696 1 235 . LYS . 52696 1 236 . THR . 52696 1 237 . ASP . 52696 1 238 . HIS . 52696 1 239 . GLY . 52696 1 240 . ALA . 52696 1 241 . GLU . 52696 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 . ILE 1 1 52696 1 . ALA 2 2 52696 1 . THR 3 3 52696 1 . PRO 4 4 52696 1 . ARG 5 5 52696 1 . GLY 6 6 52696 1 . ALA 7 7 52696 1 . ALA 8 8 52696 1 . PRO 9 9 52696 1 . PRO 10 10 52696 1 . GLY 11 11 52696 1 . GLN 12 12 52696 1 . LYS 13 13 52696 1 . GLY 14 14 52696 1 . GLN 15 15 52696 1 . ALA 16 16 52696 1 . ASN 17 17 52696 1 . ALA 18 18 52696 1 . THR 19 19 52696 1 . ARG 20 20 52696 1 . ILE 21 21 52696 1 . PRO 22 22 52696 1 . ALA 23 23 52696 1 . LYS 24 24 52696 1 . THR 25 25 52696 1 . PRO 26 26 52696 1 . PRO 27 27 52696 1 . ALA 28 28 52696 1 . PRO 29 29 52696 1 . LYS 30 30 52696 1 . THR 31 31 52696 1 . PRO 32 32 52696 1 . PRO 33 33 52696 1 . SER 34 34 52696 1 . SER 35 35 52696 1 . GLY 36 36 52696 1 . GLU 37 37 52696 1 . PRO 38 38 52696 1 . PRO 39 39 52696 1 . LYS 40 40 52696 1 . SER 41 41 52696 1 . GLY 42 42 52696 1 . ASP 43 43 52696 1 . ARG 44 44 52696 1 . SER 45 45 52696 1 . GLY 46 46 52696 1 . TYR 47 47 52696 1 . SER 48 48 52696 1 . SER 49 49 52696 1 . PRO 50 50 52696 1 . GLY 51 51 52696 1 . SER 52 52 52696 1 . PRO 53 53 52696 1 . GLY 54 54 52696 1 . THR 55 55 52696 1 . PRO 56 56 52696 1 . GLY 57 57 52696 1 . SER 58 58 52696 1 . ARG 59 59 52696 1 . SER 60 60 52696 1 . ARG 61 61 52696 1 . THR 62 62 52696 1 . PRO 63 63 52696 1 . SER 64 64 52696 1 . LEU 65 65 52696 1 . PRO 66 66 52696 1 . THR 67 67 52696 1 . PRO 68 68 52696 1 . PRO 69 69 52696 1 . THR 70 70 52696 1 . ARG 71 71 52696 1 . GLU 72 72 52696 1 . PRO 73 73 52696 1 . LYS 74 74 52696 1 . LYS 75 75 52696 1 . VAL 76 76 52696 1 . ALA 77 77 52696 1 . VAL 78 78 52696 1 . VAL 79 79 52696 1 . ARG 80 80 52696 1 . THR 81 81 52696 1 . PRO 82 82 52696 1 . PRO 83 83 52696 1 . LYS 84 84 52696 1 . SER 85 85 52696 1 . PRO 86 86 52696 1 . SER 87 87 52696 1 . SER 88 88 52696 1 . ALA 89 89 52696 1 . LYS 90 90 52696 1 . SER 91 91 52696 1 . ARG 92 92 52696 1 . LEU 93 93 52696 1 . GLN 94 94 52696 1 . THR 95 95 52696 1 . ALA 96 96 52696 1 . PRO 97 97 52696 1 . VAL 98 98 52696 1 . PRO 99 99 52696 1 . MET 100 100 52696 1 . PRO 101 101 52696 1 . ASP 102 102 52696 1 . LEU 103 103 52696 1 . LYS 104 104 52696 1 . ASN 105 105 52696 1 . VAL 106 106 52696 1 . LYS 107 107 52696 1 . SER 108 108 52696 1 . LYS 109 109 52696 1 . ILE 110 110 52696 1 . GLY 111 111 52696 1 . SER 112 112 52696 1 . THR 113 113 52696 1 . GLU 114 114 52696 1 . ASN 115 115 52696 1 . LEU 116 116 52696 1 . LYS 117 117 52696 1 . HIS 118 118 52696 1 . GLN 119 119 52696 1 . PRO 120 120 52696 1 . GLY 121 121 52696 1 . GLY 122 122 52696 1 . GLY 123 123 52696 1 . LYS 124 124 52696 1 . VAL 125 125 52696 1 . GLN 126 126 52696 1 . ILE 127 127 52696 1 . ILE 128 128 52696 1 . ASN 129 129 52696 1 . LYS 130 130 52696 1 . LYS 131 131 52696 1 . LEU 132 132 52696 1 . ASP 133 133 52696 1 . LEU 134 134 52696 1 . SER 135 135 52696 1 . ASN 136 136 52696 1 . VAL 137 137 52696 1 . GLN 138 138 52696 1 . SER 139 139 52696 1 . LYS 140 140 52696 1 . CYS 141 141 52696 1 . GLY 142 142 52696 1 . SER 143 143 52696 1 . LYS 144 144 52696 1 . ASP 145 145 52696 1 . ASN 146 146 52696 1 . ILE 147 147 52696 1 . LYS 148 148 52696 1 . HIS 149 149 52696 1 . VAL 150 150 52696 1 . PRO 151 151 52696 1 . GLY 152 152 52696 1 . GLY 153 153 52696 1 . GLY 154 154 52696 1 . SER 155 155 52696 1 . VAL 156 156 52696 1 . GLN 157 157 52696 1 . ILE 158 158 52696 1 . VAL 159 159 52696 1 . TYR 160 160 52696 1 . LYS 161 161 52696 1 . PRO 162 162 52696 1 . VAL 163 163 52696 1 . ASP 164 164 52696 1 . LEU 165 165 52696 1 . SER 166 166 52696 1 . LYS 167 167 52696 1 . VAL 168 168 52696 1 . THR 169 169 52696 1 . SER 170 170 52696 1 . LYS 171 171 52696 1 . CYS 172 172 52696 1 . GLY 173 173 52696 1 . SER 174 174 52696 1 . LEU 175 175 52696 1 . GLY 176 176 52696 1 . ASN 177 177 52696 1 . ILE 178 178 52696 1 . HIS 179 179 52696 1 . HIS 180 180 52696 1 . LYS 181 181 52696 1 . PRO 182 182 52696 1 . GLY 183 183 52696 1 . GLY 184 184 52696 1 . GLY 185 185 52696 1 . GLN 186 186 52696 1 . VAL 187 187 52696 1 . GLU 188 188 52696 1 . VAL 189 189 52696 1 . LYS 190 190 52696 1 . SER 191 191 52696 1 . GLU 192 192 52696 1 . LYS 193 193 52696 1 . LEU 194 194 52696 1 . ASP 195 195 52696 1 . PHE 196 196 52696 1 . LYS 197 197 52696 1 . ASP 198 198 52696 1 . ARG 199 199 52696 1 . VAL 200 200 52696 1 . GLN 201 201 52696 1 . SER 202 202 52696 1 . LYS 203 203 52696 1 . ILE 204 204 52696 1 . GLY 205 205 52696 1 . SER 206 206 52696 1 . LEU 207 207 52696 1 . ASP 208 208 52696 1 . ASN 209 209 52696 1 . ILE 210 210 52696 1 . THR 211 211 52696 1 . HIS 212 212 52696 1 . VAL 213 213 52696 1 . PRO 214 214 52696 1 . GLY 215 215 52696 1 . GLY 216 216 52696 1 . GLY 217 217 52696 1 . ASN 218 218 52696 1 . LYS 219 219 52696 1 . LYS 220 220 52696 1 . ILE 221 221 52696 1 . GLU 222 222 52696 1 . THR 223 223 52696 1 . HIS 224 224 52696 1 . LYS 225 225 52696 1 . LEU 226 226 52696 1 . THR 227 227 52696 1 . PHE 228 228 52696 1 . ARG 229 229 52696 1 . GLU 230 230 52696 1 . ASN 231 231 52696 1 . ALA 232 232 52696 1 . LYS 233 233 52696 1 . ALA 234 234 52696 1 . LYS 235 235 52696 1 . THR 236 236 52696 1 . ASP 237 237 52696 1 . HIS 238 238 52696 1 . GLY 239 239 52696 1 . ALA 240 240 52696 1 . GLU 241 241 52696 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 52696 _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 . . . . . . . . . . . . . 52696 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 52696 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 'CodonPlus (DE3)-RIPL' . plasmid . . pRK172 . . . 52696 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52696 _Sample.ID 1 _Sample.Name '15N-13C Tau151-391 WT' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Tau 297-391 WT' '[U-98% 13C; U-98% 15N]' . . 1 $entity_1 . . 300 . . uM . . . . 52696 1 2 D2O '[U-99% 2H]' . . . . . . 5 . . % . . . . 52696 1 3 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 52696 1 4 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 52696 1 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 52696 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Assignment conditions' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.4 . pH 52696 1 pressure 1 . atm 52696 1 temperature 278 . K 52696 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52696 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.6.0 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 52696 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52696 _Software.ID 2 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 52696 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 52696 _Software.ID 3 _Software.Type . _Software.Name 'NMRFx Processor' _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 52696 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 52696 _Software.ID 4 _Software.Type . _Software.Name MARS _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 52696 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 52696 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 700' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 52696 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52696 1 2 '3D HNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52696 1 3 '3D CBCA(CO)NH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52696 1 4 '3D HNCACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52696 1 5 '3D HNCA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52696 1 6 '3D HN(CO)CA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52696 1 7 '3D HN(CA)CO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52696 1 8 '3D HNCOCANNH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52696 1 9 '3D C_HCACON' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52696 1 10 '3D C_HCANCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52696 1 stop_ loop_ _Experiment_file.Experiment_ID _Experiment_file.Experiment_name _Experiment_file.Name _Experiment_file.Type _Experiment_file.Content _Experiment_file.Directory_path _Experiment_file.Details _Experiment_file.Entry_ID _Experiment_file.Experiment_list_ID 1 '2D 1H-15N HSQC' Tau_151-391_HSQC.zip . 'Time-domain (raw spectral data)' . . 52696 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 52696 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'chemcial shift reference' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 na indirect 0.2514419530 . . . . . 52696 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 52696 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect 0.101329188 . . . . . 52696 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 52696 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name tau-151-391_chemical_shifts _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 52696 1 2 '3D HNCO' . . . 52696 1 3 '3D CBCA(CO)NH' . . . 52696 1 4 '3D HNCACB' . . . 52696 1 5 '3D HNCA' . . . 52696 1 6 '3D HN(CO)CA' . . . 52696 1 7 '3D HN(CA)CO' . . . 52696 1 8 '3D HNCOCANNH' . . . 52696 1 9 '3D C_HCACON' . . . 52696 1 10 '3D C_HCANCO' . . . 52696 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 52696 1 4 $software_4 . . 52696 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 ILE C C 13 175.741 0.000 . . . . . . . 1 I CO . 52696 1 2 . 1 . 1 1 1 ILE CA C 13 60.908 0.000 . . . . . . . 1 I CA . 52696 1 3 . 1 . 1 1 1 ILE CB C 13 38.822 0.000 . . . . . . . 1 I CB . 52696 1 4 . 1 . 1 2 2 ALA H H 1 8.286 0.000 . . . . . . . 2 A HN . 52696 1 5 . 1 . 1 2 2 ALA C C 13 177.504 0.013 . . . . . . . 2 A CO . 52696 1 6 . 1 . 1 2 2 ALA CA C 13 52.263 0.017 . . . . . . . 2 A CA . 52696 1 7 . 1 . 1 2 2 ALA CB C 13 19.337 0.035 . . . . . . . 2 A CB . 52696 1 8 . 1 . 1 2 2 ALA N N 15 129.127 0.000 . . . . . . . 2 A N . 52696 1 9 . 1 . 1 3 3 THR H H 1 8.085 0.000 . . . . . . . 3 T HN . 52696 1 10 . 1 . 1 3 3 THR C C 13 172.981 0.020 . . . . . . . 3 T CO . 52696 1 11 . 1 . 1 3 3 THR CA C 13 59.913 0.043 . . . . . . . 3 T CA . 52696 1 12 . 1 . 1 3 3 THR CB C 13 69.763 0.000 . . . . . . . 3 T CB . 52696 1 13 . 1 . 1 3 3 THR N N 15 117.210 0.000 . . . . . . . 3 T N . 52696 1 14 . 1 . 1 4 4 PRO C C 13 177.036 0.000 . . . . . . . 4 P CO . 52696 1 15 . 1 . 1 4 4 PRO CA C 13 63.338 0.053 . . . . . . . 4 P CA . 52696 1 16 . 1 . 1 4 4 PRO CB C 13 32.227 0.000 . . . . . . . 4 P CB . 52696 1 17 . 1 . 1 4 4 PRO N N 15 139.335 0.000 . . . . . . . 4 P N . 52696 1 18 . 1 . 1 5 5 ARG H H 1 8.369 0.000 . . . . . . . 5 R HN . 52696 1 19 . 1 . 1 5 5 ARG C C 13 177.177 0.004 . . . . . . . 5 R CO . 52696 1 20 . 1 . 1 5 5 ARG CA C 13 56.433 0.031 . . . . . . . 5 R CA . 52696 1 21 . 1 . 1 5 5 ARG CB C 13 30.781 0.043 . . . . . . . 5 R CB . 52696 1 22 . 1 . 1 5 5 ARG N N 15 122.017 0.000 . . . . . . . 5 R N . 52696 1 23 . 1 . 1 6 6 GLY H H 1 8.273 0.000 . . . . . . . 6 G HN . 52696 1 24 . 1 . 1 6 6 GLY C C 13 173.591 0.004 . . . . . . . 6 G CO . 52696 1 25 . 1 . 1 6 6 GLY CA C 13 45.066 0.004 . . . . . . . 6 G CA . 52696 1 26 . 1 . 1 6 6 GLY N N 15 110.508 0.000 . . . . . . . 6 G N . 52696 1 27 . 1 . 1 7 7 ALA H H 1 7.945 0.000 . . . . . . . 7 A HN . 52696 1 28 . 1 . 1 7 7 ALA CA C 13 52.061 0.000 . . . . . . . 7 A CA . 52696 1 29 . 1 . 1 7 7 ALA CB C 13 19.653 0.031 . . . . . . . 7 A CB . 52696 1 30 . 1 . 1 7 7 ALA N N 15 123.589 0.000 . . . . . . . 7 A N . 52696 1 31 . 1 . 1 8 8 ALA H H 1 8.166 0.000 . . . . . . . 8 A HN . 52696 1 32 . 1 . 1 8 8 ALA C C 13 175.111 0.019 . . . . . . . 8 A CO . 52696 1 33 . 1 . 1 8 8 ALA CA C 13 50.431 0.027 . . . . . . . 8 A CA . 52696 1 34 . 1 . 1 8 8 ALA CB C 13 18.063 0.000 . . . . . . . 8 A CB . 52696 1 35 . 1 . 1 8 8 ALA N N 15 125.064 0.000 . . . . . . . 8 A N . 52696 1 36 . 1 . 1 9 9 PRO C C 13 174.863 0.000 . . . . . . . 9 P CO . 52696 1 37 . 1 . 1 9 9 PRO CA C 13 61.308 0.009 . . . . . . . 9 P CA . 52696 1 38 . 1 . 1 9 9 PRO N N 15 136.906 0.000 . . . . . . . 9 P N . 52696 1 39 . 1 . 1 10 10 PRO C C 13 177.770 0.000 . . . . . . . 10 P CO . 52696 1 40 . 1 . 1 10 10 PRO CA C 13 63.333 0.020 . . . . . . . 10 P CA . 52696 1 41 . 1 . 1 10 10 PRO CB C 13 32.157 0.000 . . . . . . . 10 P CB . 52696 1 42 . 1 . 1 10 10 PRO N N 15 135.274 0.000 . . . . . . . 10 P N . 52696 1 43 . 1 . 1 11 11 GLY H H 1 8.319 0.000 . . . . . . . 11 G HN . 52696 1 44 . 1 . 1 11 11 GLY C C 13 174.259 0.004 . . . . . . . 11 G CO . 52696 1 45 . 1 . 1 11 11 GLY CA C 13 45.254 0.014 . . . . . . . 11 G CA . 52696 1 46 . 1 . 1 11 11 GLY N N 15 108.968 0.000 . . . . . . . 11 G N . 52696 1 47 . 1 . 1 12 12 GLN H H 1 7.994 0.000 . . . . . . . 12 Q HN . 52696 1 48 . 1 . 1 12 12 GLN C C 13 176.284 0.002 . . . . . . . 12 Q CO . 52696 1 49 . 1 . 1 12 12 GLN CA C 13 55.789 0.010 . . . . . . . 12 Q CA . 52696 1 50 . 1 . 1 12 12 GLN CB C 13 29.725 0.008 . . . . . . . 12 Q CB . 52696 1 51 . 1 . 1 12 12 GLN N N 15 119.782 0.000 . . . . . . . 12 Q N . 52696 1 52 . 1 . 1 13 13 LYS H H 1 8.327 0.000 . . . . . . . 13 K HN . 52696 1 53 . 1 . 1 13 13 LYS C C 13 177.382 0.010 . . . . . . . 13 K CO . 52696 1 54 . 1 . 1 13 13 LYS CA C 13 56.742 0.004 . . . . . . . 13 K CA . 52696 1 55 . 1 . 1 13 13 LYS CB C 13 32.847 0.004 . . . . . . . 13 K CB . 52696 1 56 . 1 . 1 13 13 LYS N N 15 123.072 0.000 . . . . . . . 13 K N . 52696 1 57 . 1 . 1 14 14 GLY H H 1 8.330 0.000 . . . . . . . 14 G HN . 52696 1 58 . 1 . 1 14 14 GLY C C 13 174.220 0.016 . . . . . . . 14 G CO . 52696 1 59 . 1 . 1 14 14 GLY CA C 13 45.288 0.007 . . . . . . . 14 G CA . 52696 1 60 . 1 . 1 14 14 GLY N N 15 110.304 0.000 . . . . . . . 14 G N . 52696 1 61 . 1 . 1 15 15 GLN H H 1 8.048 0.000 . . . . . . . 15 Q HN . 52696 1 62 . 1 . 1 15 15 GLN C C 13 176.125 0.009 . . . . . . . 15 Q CO . 52696 1 63 . 1 . 1 15 15 GLN CA C 13 55.704 0.014 . . . . . . . 15 Q CA . 52696 1 64 . 1 . 1 15 15 GLN CB C 13 29.623 0.007 . . . . . . . 15 Q CB . 52696 1 65 . 1 . 1 15 15 GLN N N 15 119.780 0.000 . . . . . . . 15 Q N . 52696 1 66 . 1 . 1 16 16 ALA H H 1 8.285 0.000 . . . . . . . 16 A HN . 52696 1 67 . 1 . 1 16 16 ALA C C 13 177.779 0.000 . . . . . . . 16 A CO . 52696 1 68 . 1 . 1 16 16 ALA CA C 13 52.916 0.014 . . . . . . . 16 A CA . 52696 1 69 . 1 . 1 16 16 ALA CB C 13 19.080 0.004 . . . . . . . 16 A CB . 52696 1 70 . 1 . 1 16 16 ALA N N 15 125.369 0.000 . . . . . . . 16 A N . 52696 1 71 . 1 . 1 17 17 ASN H H 1 8.250 0.000 . . . . . . . 17 N HN . 52696 1 72 . 1 . 1 17 17 ASN C C 13 175.205 0.005 . . . . . . . 17 N CO . 52696 1 73 . 1 . 1 17 17 ASN CA C 13 53.324 0.011 . . . . . . . 17 N CA . 52696 1 74 . 1 . 1 17 17 ASN CB C 13 38.909 0.023 . . . . . . . 17 N CB . 52696 1 75 . 1 . 1 17 17 ASN N N 15 117.723 0.000 . . . . . . . 17 N N . 52696 1 76 . 1 . 1 18 18 ALA H H 1 8.061 0.000 . . . . . . . 18 A HN . 52696 1 77 . 1 . 1 18 18 ALA C C 13 177.980 0.002 . . . . . . . 18 A CO . 52696 1 78 . 1 . 1 18 18 ALA CA C 13 52.831 0.004 . . . . . . . 18 A CA . 52696 1 79 . 1 . 1 18 18 ALA CB C 13 19.341 0.055 . . . . . . . 18 A CB . 52696 1 80 . 1 . 1 18 18 ALA N N 15 124.203 0.000 . . . . . . . 18 A N . 52696 1 81 . 1 . 1 19 19 THR H H 1 7.976 0.000 . . . . . . . 19 T HN . 52696 1 82 . 1 . 1 19 19 THR C C 13 174.446 0.020 . . . . . . . 19 T CO . 52696 1 83 . 1 . 1 19 19 THR CA C 13 62.189 0.007 . . . . . . . 19 T CA . 52696 1 84 . 1 . 1 19 19 THR CB C 13 69.755 0.000 . . . . . . . 19 T CB . 52696 1 85 . 1 . 1 19 19 THR N N 15 113.915 0.000 . . . . . . . 19 T N . 52696 1 86 . 1 . 1 20 20 ARG H H 1 8.141 0.000 . . . . . . . 20 R HN . 52696 1 87 . 1 . 1 20 20 ARG C C 13 176.005 0.016 . . . . . . . 20 R CO . 52696 1 88 . 1 . 1 20 20 ARG CA C 13 55.964 0.027 . . . . . . . 20 R CA . 52696 1 89 . 1 . 1 20 20 ARG CB C 13 30.817 0.016 . . . . . . . 20 R CB . 52696 1 90 . 1 . 1 20 20 ARG N N 15 124.263 0.000 . . . . . . . 20 R N . 52696 1 91 . 1 . 1 21 21 ILE H H 1 8.165 0.000 . . . . . . . 21 I HN . 52696 1 92 . 1 . 1 21 21 ILE C C 13 174.645 0.032 . . . . . . . 21 I CO . 52696 1 93 . 1 . 1 21 21 ILE CA C 13 58.650 0.012 . . . . . . . 21 I CA . 52696 1 94 . 1 . 1 21 21 ILE CB C 13 38.409 0.000 . . . . . . . 21 I CB . 52696 1 95 . 1 . 1 21 21 ILE N N 15 125.006 0.000 . . . . . . . 21 I N . 52696 1 96 . 1 . 1 22 22 PRO C C 13 176.527 0.000 . . . . . . . 22 P CO . 52696 1 97 . 1 . 1 22 22 PRO CA C 13 63.020 0.099 . . . . . . . 22 P CA . 52696 1 98 . 1 . 1 22 22 PRO CB C 13 32.344 0.000 . . . . . . . 22 P CB . 52696 1 99 . 1 . 1 22 22 PRO N N 15 140.421 0.000 . . . . . . . 22 P N . 52696 1 100 . 1 . 1 23 23 ALA H H 1 8.240 0.000 . . . . . . . 23 A HN . 52696 1 101 . 1 . 1 23 23 ALA C C 13 177.892 0.000 . . . . . . . 23 A CO . 52696 1 102 . 1 . 1 23 23 ALA CA C 13 52.358 0.011 . . . . . . . 23 A CA . 52696 1 103 . 1 . 1 23 23 ALA CB C 13 19.306 0.074 . . . . . . . 23 A CB . 52696 1 104 . 1 . 1 23 23 ALA N N 15 124.723 0.000 . . . . . . . 23 A N . 52696 1 105 . 1 . 1 24 24 LYS H H 1 8.209 0.000 . . . . . . . 24 K HN . 52696 1 106 . 1 . 1 24 24 LYS C C 13 176.693 0.000 . . . . . . . 24 K CO . 52696 1 107 . 1 . 1 24 24 LYS CA C 13 56.145 0.004 . . . . . . . 24 K CA . 52696 1 108 . 1 . 1 24 24 LYS CB C 13 33.089 0.020 . . . . . . . 24 K CB . 52696 1 109 . 1 . 1 24 24 LYS N N 15 121.153 0.000 . . . . . . . 24 K N . 52696 1 110 . 1 . 1 25 25 THR H H 1 8.119 0.000 . . . . . . . 25 T HN . 52696 1 111 . 1 . 1 25 25 THR C C 13 172.411 0.000 . . . . . . . 25 T CO . 52696 1 112 . 1 . 1 25 25 THR CA C 13 60.045 0.000 . . . . . . . 25 T CA . 52696 1 113 . 1 . 1 25 25 THR CB C 13 69.732 0.000 . . . . . . . 25 T CB . 52696 1 114 . 1 . 1 25 25 THR N N 15 119.147 0.000 . . . . . . . 25 T N . 52696 1 115 . 1 . 1 26 26 PRO C C 13 174.560 0.000 . . . . . . . 26 P CO . 52696 1 116 . 1 . 1 26 26 PRO CA C 13 61.474 0.000 . . . . . . . 26 P CA . 52696 1 117 . 1 . 1 27 27 PRO C C 13 176.239 0.000 . . . . . . . 27 P CO . 52696 1 118 . 1 . 1 27 27 PRO CA C 13 62.587 0.095 . . . . . . . 27 P CA . 52696 1 119 . 1 . 1 27 27 PRO CB C 13 32.001 0.000 . . . . . . . 27 P CB . 52696 1 120 . 1 . 1 27 27 PRO N N 15 135.539 0.000 . . . . . . . 27 P N . 52696 1 121 . 1 . 1 28 28 ALA H H 1 8.237 0.000 . . . . . . . 28 A HN . 52696 1 122 . 1 . 1 28 28 ALA C C 13 175.698 0.018 . . . . . . . 28 A CO . 52696 1 123 . 1 . 1 28 28 ALA CA C 13 50.381 0.036 . . . . . . . 28 A CA . 52696 1 124 . 1 . 1 28 28 ALA CB C 13 17.953 0.000 . . . . . . . 28 A CB . 52696 1 125 . 1 . 1 28 28 ALA N N 15 125.711 0.000 . . . . . . . 28 A N . 52696 1 126 . 1 . 1 29 29 PRO C C 13 176.200 0.000 . . . . . . . 29 P CO . 52696 1 127 . 1 . 1 29 29 PRO CB C 13 30.528 0.000 . . . . . . . 29 P CB . 52696 1 128 . 1 . 1 29 29 PRO N N 15 135.563 0.000 . . . . . . . 29 P N . 52696 1 129 . 1 . 1 30 30 LYS H H 1 8.207 0.000 . . . . . . . 30 K HN . 52696 1 130 . 1 . 1 30 30 LYS C C 13 176.212 0.000 . . . . . . . 30 K CO . 52696 1 131 . 1 . 1 30 30 LYS N N 15 123.940 0.000 . . . . . . . 30 K N . 52696 1 132 . 1 . 1 33 33 PRO C C 13 177.099 0.000 . . . . . . . 33 P CO . 52696 1 133 . 1 . 1 33 33 PRO CA C 13 62.990 0.000 . . . . . . . 33 P CA . 52696 1 134 . 1 . 1 33 33 PRO CB C 13 32.235 0.000 . . . . . . . 33 P CB . 52696 1 135 . 1 . 1 34 34 SER H H 1 8.346 0.000 . . . . . . . 34 S HN . 52696 1 136 . 1 . 1 34 34 SER C C 13 174.939 0.000 . . . . . . . 34 S CO . 52696 1 137 . 1 . 1 34 34 SER CA C 13 58.351 0.017 . . . . . . . 34 S CA . 52696 1 138 . 1 . 1 34 34 SER CB C 13 63.823 0.023 . . . . . . . 34 S CB . 52696 1 139 . 1 . 1 34 34 SER N N 15 116.442 0.000 . . . . . . . 34 S N . 52696 1 140 . 1 . 1 35 35 SER H H 1 8.288 0.000 . . . . . . . 35 S HN . 52696 1 141 . 1 . 1 35 35 SER C C 13 174.993 0.000 . . . . . . . 35 S CO . 52696 1 142 . 1 . 1 35 35 SER CA C 13 58.618 0.017 . . . . . . . 35 S CA . 52696 1 143 . 1 . 1 35 35 SER CB C 13 63.800 0.000 . . . . . . . 35 S CB . 52696 1 144 . 1 . 1 35 35 SER N N 15 117.870 0.000 . . . . . . . 35 S N . 52696 1 145 . 1 . 1 36 36 GLY H H 1 8.181 0.000 . . . . . . . 36 G HN . 52696 1 146 . 1 . 1 36 36 GLY C C 13 173.774 0.012 . . . . . . . 36 G CO . 52696 1 147 . 1 . 1 36 36 GLY CA C 13 45.032 0.010 . . . . . . . 36 G CA . 52696 1 148 . 1 . 1 36 36 GLY N N 15 110.554 0.000 . . . . . . . 36 G N . 52696 1 149 . 1 . 1 37 37 GLU H H 1 8.030 0.000 . . . . . . . 37 E HN . 52696 1 150 . 1 . 1 37 37 GLU CB C 13 29.787 0.000 . . . . . . . 37 E CB . 52696 1 151 . 1 . 1 37 37 GLU N N 15 121.685 0.000 . . . . . . . 37 E N . 52696 1 152 . 1 . 1 38 38 PRO C C 13 174.617 0.000 . . . . . . . 38 P CO . 52696 1 153 . 1 . 1 38 38 PRO CA C 13 61.483 0.029 . . . . . . . 38 P CA . 52696 1 154 . 1 . 1 38 38 PRO N N 15 140.507 0.000 . . . . . . . 38 P N . 52696 1 155 . 1 . 1 39 39 PRO CA C 13 62.608 0.000 . . . . . . . 39 P CA . 52696 1 156 . 1 . 1 39 39 PRO N N 15 135.258 0.000 . . . . . . . 39 P N . 52696 1 157 . 1 . 1 40 40 LYS C C 13 177.005 0.000 . . . . . . . 40 K CO . 52696 1 158 . 1 . 1 40 40 LYS CA C 13 56.170 0.000 . . . . . . . 40 K CA . 52696 1 159 . 1 . 1 40 40 LYS CB C 13 32.983 0.000 . . . . . . . 40 K CB . 52696 1 160 . 1 . 1 41 41 SER H H 1 8.234 0.000 . . . . . . . 41 S HN . 52696 1 161 . 1 . 1 41 41 SER C C 13 175.230 0.006 . . . . . . . 41 S CO . 52696 1 162 . 1 . 1 41 41 SER CA C 13 58.590 0.017 . . . . . . . 41 S CA . 52696 1 163 . 1 . 1 41 41 SER CB C 13 63.823 0.023 . . . . . . . 41 S CB . 52696 1 164 . 1 . 1 41 41 SER N N 15 116.997 0.000 . . . . . . . 41 S N . 52696 1 165 . 1 . 1 42 42 GLY H H 1 8.315 0.000 . . . . . . . 42 G HN . 52696 1 166 . 1 . 1 42 42 GLY C C 13 173.986 0.011 . . . . . . . 42 G CO . 52696 1 167 . 1 . 1 42 42 GLY CA C 13 45.288 0.007 . . . . . . . 42 G CA . 52696 1 168 . 1 . 1 42 42 GLY N N 15 110.898 0.000 . . . . . . . 42 G N . 52696 1 169 . 1 . 1 43 43 ASP H H 1 8.019 0.000 . . . . . . . 43 D HN . 52696 1 170 . 1 . 1 43 43 ASP C C 13 176.587 0.000 . . . . . . . 43 D CO . 52696 1 171 . 1 . 1 43 43 ASP N N 15 120.224 0.000 . . . . . . . 43 D N . 52696 1 172 . 1 . 1 44 44 ARG C C 13 176.818 0.000 . . . . . . . 44 R CO . 52696 1 173 . 1 . 1 44 44 ARG CA C 13 56.183 0.000 . . . . . . . 44 R CA . 52696 1 174 . 1 . 1 44 44 ARG CB C 13 30.333 0.000 . . . . . . . 44 R CB . 52696 1 175 . 1 . 1 45 45 SER H H 1 8.240 0.000 . . . . . . . 45 S HN . 52696 1 176 . 1 . 1 45 45 SER C C 13 175.323 0.041 . . . . . . . 45 S CO . 52696 1 177 . 1 . 1 45 45 SER CA C 13 59.412 0.003 . . . . . . . 45 S CA . 52696 1 178 . 1 . 1 45 45 SER CB C 13 63.737 0.062 . . . . . . . 45 S CB . 52696 1 179 . 1 . 1 45 45 SER N N 15 117.002 0.000 . . . . . . . 45 S N . 52696 1 180 . 1 . 1 46 46 GLY H H 1 8.266 0.000 . . . . . . . 46 G HN . 52696 1 181 . 1 . 1 46 46 GLY C C 13 173.937 0.005 . . . . . . . 46 G CO . 52696 1 182 . 1 . 1 46 46 GLY CA C 13 45.230 0.051 . . . . . . . 46 G CA . 52696 1 183 . 1 . 1 46 46 GLY N N 15 110.619 0.000 . . . . . . . 46 G N . 52696 1 184 . 1 . 1 47 47 TYR H H 1 7.808 0.000 . . . . . . . 47 Y HN . 52696 1 185 . 1 . 1 47 47 TYR C C 13 175.867 0.009 . . . . . . . 47 Y CO . 52696 1 186 . 1 . 1 47 47 TYR CA C 13 58.077 0.011 . . . . . . . 47 Y CA . 52696 1 187 . 1 . 1 47 47 TYR CB C 13 38.978 0.031 . . . . . . . 47 Y CB . 52696 1 188 . 1 . 1 47 47 TYR N N 15 120.098 0.000 . . . . . . . 47 Y N . 52696 1 189 . 1 . 1 48 48 SER H H 1 7.948 0.000 . . . . . . . 48 S HN . 52696 1 190 . 1 . 1 48 48 SER C C 13 173.634 0.000 . . . . . . . 48 S CO . 52696 1 191 . 1 . 1 48 48 SER CA C 13 57.816 0.011 . . . . . . . 48 S CA . 52696 1 192 . 1 . 1 48 48 SER CB C 13 64.049 0.031 . . . . . . . 48 S CB . 52696 1 193 . 1 . 1 48 48 SER N N 15 118.290 0.000 . . . . . . . 48 S N . 52696 1 194 . 1 . 1 49 49 SER H H 1 8.143 0.000 . . . . . . . 49 S HN . 52696 1 195 . 1 . 1 49 49 SER CB C 13 63.215 0.000 . . . . . . . 49 S CB . 52696 1 196 . 1 . 1 49 49 SER N N 15 118.922 0.000 . . . . . . . 49 S N . 52696 1 197 . 1 . 1 50 50 PRO C C 13 177.586 0.000 . . . . . . . 50 P CO . 52696 1 198 . 1 . 1 50 50 PRO CB C 13 32.079 0.000 . . . . . . . 50 P CB . 52696 1 199 . 1 . 1 50 50 PRO N N 15 138.920 0.000 . . . . . . . 50 P N . 52696 1 200 . 1 . 1 51 51 GLY H H 1 8.281 0.000 . . . . . . . 51 G HN . 52696 1 201 . 1 . 1 51 51 GLY C C 13 173.976 0.010 . . . . . . . 51 G CO . 52696 1 202 . 1 . 1 51 51 GLY CA C 13 45.059 0.010 . . . . . . . 51 G CA . 52696 1 203 . 1 . 1 51 51 GLY N N 15 109.418 0.000 . . . . . . . 51 G N . 52696 1 204 . 1 . 1 52 52 SER H H 1 7.954 0.000 . . . . . . . 52 S HN . 52696 1 205 . 1 . 1 52 52 SER C C 13 172.954 0.016 . . . . . . . 52 S CO . 52696 1 206 . 1 . 1 52 52 SER CA C 13 56.547 0.081 . . . . . . . 52 S CA . 52696 1 207 . 1 . 1 52 52 SER CB C 13 63.121 0.000 . . . . . . . 52 S CB . 52696 1 208 . 1 . 1 52 52 SER N N 15 116.708 0.000 . . . . . . . 52 S N . 52696 1 209 . 1 . 1 53 53 PRO C C 13 177.567 0.000 . . . . . . . 53 P CO . 52696 1 210 . 1 . 1 53 53 PRO CA C 13 63.715 0.069 . . . . . . . 53 P CA . 52696 1 211 . 1 . 1 53 53 PRO CB C 13 32.103 0.000 . . . . . . . 53 P CB . 52696 1 212 . 1 . 1 53 53 PRO N N 15 138.200 0.000 . . . . . . . 53 P N . 52696 1 213 . 1 . 1 54 54 GLY H H 1 8.286 0.000 . . . . . . . 54 G HN . 52696 1 214 . 1 . 1 54 54 GLY C C 13 174.067 0.004 . . . . . . . 54 G CO . 52696 1 215 . 1 . 1 54 54 GLY CA C 13 45.072 0.003 . . . . . . . 54 G CA . 52696 1 216 . 1 . 1 54 54 GLY N N 15 109.171 0.000 . . . . . . . 54 G N . 52696 1 217 . 1 . 1 55 55 THR H H 1 7.879 0.000 . . . . . . . 55 T HN . 52696 1 218 . 1 . 1 55 55 THR C C 13 173.225 0.023 . . . . . . . 55 T CO . 52696 1 219 . 1 . 1 55 55 THR CA C 13 59.860 0.049 . . . . . . . 55 T CA . 52696 1 220 . 1 . 1 55 55 THR CB C 13 69.709 0.000 . . . . . . . 55 T CB . 52696 1 221 . 1 . 1 55 55 THR N N 15 115.527 0.000 . . . . . . . 55 T N . 52696 1 222 . 1 . 1 56 56 PRO C C 13 177.817 0.000 . . . . . . . 56 P CO . 52696 1 223 . 1 . 1 56 56 PRO CA C 13 63.856 0.134 . . . . . . . 56 P CA . 52696 1 224 . 1 . 1 56 56 PRO CB C 13 32.048 0.000 . . . . . . . 56 P CB . 52696 1 225 . 1 . 1 56 56 PRO N N 15 139.213 0.000 . . . . . . . 56 P N . 52696 1 226 . 1 . 1 57 57 GLY H H 1 8.420 0.000 . . . . . . . 57 G HN . 52696 1 227 . 1 . 1 57 57 GLY C C 13 174.513 0.000 . . . . . . . 57 G CO . 52696 1 228 . 1 . 1 57 57 GLY CA C 13 45.309 0.013 . . . . . . . 57 G CA . 52696 1 229 . 1 . 1 57 57 GLY N N 15 109.659 0.000 . . . . . . . 57 G N . 52696 1 230 . 1 . 1 58 58 SER H H 1 7.961 0.000 . . . . . . . 58 S HN . 52696 1 231 . 1 . 1 58 58 SER C C 13 175.000 0.001 . . . . . . . 58 S CO . 52696 1 232 . 1 . 1 58 58 SER CA C 13 58.710 0.048 . . . . . . . 58 S CA . 52696 1 233 . 1 . 1 58 58 SER CB C 13 63.858 0.012 . . . . . . . 58 S CB . 52696 1 234 . 1 . 1 58 58 SER N N 15 115.586 0.000 . . . . . . . 58 S N . 52696 1 235 . 1 . 1 59 59 ARG H H 1 8.271 0.000 . . . . . . . 59 R HN . 52696 1 236 . 1 . 1 59 59 ARG C C 13 176.579 0.004 . . . . . . . 59 R CO . 52696 1 237 . 1 . 1 59 59 ARG CA C 13 56.228 0.017 . . . . . . . 59 R CA . 52696 1 238 . 1 . 1 59 59 ARG CB C 13 30.714 0.055 . . . . . . . 59 R CB . 52696 1 239 . 1 . 1 59 59 ARG N N 15 122.886 0.000 . . . . . . . 59 R N . 52696 1 240 . 1 . 1 60 60 SER H H 1 8.137 0.000 . . . . . . . 60 S HN . 52696 1 241 . 1 . 1 60 60 SER C C 13 174.594 0.012 . . . . . . . 60 S CO . 52696 1 242 . 1 . 1 60 60 SER CA C 13 58.498 0.014 . . . . . . . 60 S CA . 52696 1 243 . 1 . 1 60 60 SER CB C 13 63.780 0.027 . . . . . . . 60 S CB . 52696 1 244 . 1 . 1 60 60 SER N N 15 116.871 0.000 . . . . . . . 60 S N . 52696 1 245 . 1 . 1 61 61 ARG H H 1 8.258 0.000 . . . . . . . 61 R HN . 52696 1 246 . 1 . 1 61 61 ARG C C 13 176.378 0.006 . . . . . . . 61 R CO . 52696 1 247 . 1 . 1 61 61 ARG CA C 13 56.033 0.007 . . . . . . . 61 R CA . 52696 1 248 . 1 . 1 61 61 ARG CB C 13 30.820 0.012 . . . . . . . 61 R CB . 52696 1 249 . 1 . 1 61 61 ARG N N 15 123.134 0.000 . . . . . . . 61 R N . 52696 1 250 . 1 . 1 62 62 THR H H 1 8.132 0.000 . . . . . . . 62 T HN . 52696 1 251 . 1 . 1 62 62 THR CA C 13 59.984 0.075 . . . . . . . 62 T CA . 52696 1 252 . 1 . 1 62 62 THR CB C 13 69.693 0.000 . . . . . . . 62 T CB . 52696 1 253 . 1 . 1 62 62 THR N N 15 118.605 0.000 . . . . . . . 62 T N . 52696 1 254 . 1 . 1 63 63 PRO C C 13 176.865 0.000 . . . . . . . 63 P CO . 52696 1 255 . 1 . 1 63 63 PRO CA C 13 63.165 0.106 . . . . . . . 63 P CA . 52696 1 256 . 1 . 1 63 63 PRO CB C 13 32.329 0.000 . . . . . . . 63 P CB . 52696 1 257 . 1 . 1 63 63 PRO N N 15 139.213 0.000 . . . . . . . 63 P N . 52696 1 258 . 1 . 1 64 64 SER H H 1 8.295 0.000 . . . . . . . 64 S HN . 52696 1 259 . 1 . 1 64 64 SER CA C 13 58.361 0.082 . . . . . . . 64 S CA . 52696 1 260 . 1 . 1 64 64 SER CB C 13 63.815 0.000 . . . . . . . 64 S CB . 52696 1 261 . 1 . 1 64 64 SER N N 15 116.972 0.000 . . . . . . . 64 S N . 52696 1 262 . 1 . 1 65 65 LEU H H 1 8.163 0.000 . . . . . . . 65 L HN . 52696 1 263 . 1 . 1 65 65 LEU C C 13 175.152 0.054 . . . . . . . 65 L CO . 52696 1 264 . 1 . 1 65 65 LEU N N 15 125.440 0.000 . . . . . . . 65 L N . 52696 1 265 . 1 . 1 66 66 PRO C C 13 177.072 0.000 . . . . . . . 66 P CO . 52696 1 266 . 1 . 1 66 66 PRO CA C 13 62.899 0.036 . . . . . . . 66 P CA . 52696 1 267 . 1 . 1 66 66 PRO CB C 13 32.336 0.000 . . . . . . . 66 P CB . 52696 1 268 . 1 . 1 66 66 PRO N N 15 136.051 0.000 . . . . . . . 66 P N . 52696 1 269 . 1 . 1 67 67 THR H H 1 8.125 0.000 . . . . . . . 67 T HN . 52696 1 270 . 1 . 1 67 67 THR C C 13 174.548 0.000 . . . . . . . 67 T CO . 52696 1 271 . 1 . 1 67 67 THR CA C 13 62.045 0.000 . . . . . . . 67 T CA . 52696 1 272 . 1 . 1 67 67 THR CB C 13 69.958 0.000 . . . . . . . 67 T CB . 52696 1 273 . 1 . 1 67 67 THR N N 15 115.308 0.000 . . . . . . . 67 T N . 52696 1 274 . 1 . 1 68 68 PRO C C 13 174.736 0.000 . . . . . . . 68 P CO . 52696 1 275 . 1 . 1 68 68 PRO CA C 13 61.572 0.000 . . . . . . . 68 P CA . 52696 1 276 . 1 . 1 69 69 PRO C C 13 176.841 0.000 . . . . . . . 69 P CO . 52696 1 277 . 1 . 1 69 69 PRO CA C 13 62.794 0.107 . . . . . . . 69 P CA . 52696 1 278 . 1 . 1 69 69 PRO CB C 13 32.110 0.000 . . . . . . . 69 P CB . 52696 1 279 . 1 . 1 69 69 PRO N N 15 135.673 0.000 . . . . . . . 69 P N . 52696 1 280 . 1 . 1 70 70 THR H H 1 8.218 0.000 . . . . . . . 70 T HN . 52696 1 281 . 1 . 1 70 70 THR C C 13 173.481 0.000 . . . . . . . 70 T CO . 52696 1 282 . 1 . 1 70 70 THR CA C 13 60.162 0.000 . . . . . . . 70 T CA . 52696 1 283 . 1 . 1 70 70 THR CB C 13 69.904 0.000 . . . . . . . 70 T CB . 52696 1 284 . 1 . 1 70 70 THR N N 15 118.374 0.000 . . . . . . . 70 T N . 52696 1 285 . 1 . 1 71 71 ARG C C 13 175.958 0.000 . . . . . . . 71 R CO . 52696 1 286 . 1 . 1 71 71 ARG CA C 13 55.752 0.000 . . . . . . . 71 R CA . 52696 1 287 . 1 . 1 71 71 ARG CB C 13 30.902 0.000 . . . . . . . 71 R CB . 52696 1 288 . 1 . 1 72 72 GLU H H 1 8.313 0.000 . . . . . . . 72 E HN . 52696 1 289 . 1 . 1 72 72 GLU C C 13 174.458 0.039 . . . . . . . 72 E CO . 52696 1 290 . 1 . 1 72 72 GLU CA C 13 54.325 0.050 . . . . . . . 72 E CA . 52696 1 291 . 1 . 1 72 72 GLU CB C 13 29.616 0.000 . . . . . . . 72 E CB . 52696 1 292 . 1 . 1 72 72 GLU N N 15 124.123 0.000 . . . . . . . 72 E N . 52696 1 293 . 1 . 1 73 73 PRO C C 13 176.822 0.000 . . . . . . . 73 P CO . 52696 1 294 . 1 . 1 73 73 PRO CA C 13 63.103 0.112 . . . . . . . 73 P CA . 52696 1 295 . 1 . 1 73 73 PRO CB C 13 32.212 0.000 . . . . . . . 73 P CB . 52696 1 296 . 1 . 1 73 73 PRO N N 15 137.443 0.000 . . . . . . . 73 P N . 52696 1 297 . 1 . 1 74 74 LYS H H 1 8.254 0.000 . . . . . . . 74 K HN . 52696 1 298 . 1 . 1 74 74 LYS C C 13 176.767 0.000 . . . . . . . 74 K CO . 52696 1 299 . 1 . 1 74 74 LYS CA C 13 56.382 0.000 . . . . . . . 74 K CA . 52696 1 300 . 1 . 1 74 74 LYS CB C 13 32.991 0.000 . . . . . . . 74 K CB . 52696 1 301 . 1 . 1 74 74 LYS N N 15 122.025 0.000 . . . . . . . 74 K N . 52696 1 302 . 1 . 1 75 75 LYS C C 13 176.486 0.000 . . . . . . . 75 K CO . 52696 1 303 . 1 . 1 75 75 LYS CA C 13 56.231 0.000 . . . . . . . 75 K CA . 52696 1 304 . 1 . 1 75 75 LYS CB C 13 33.038 0.000 . . . . . . . 75 K CB . 52696 1 305 . 1 . 1 76 76 VAL H H 1 8.068 0.000 . . . . . . . 76 V HN . 52696 1 306 . 1 . 1 76 76 VAL C C 13 175.754 0.010 . . . . . . . 76 V CO . 52696 1 307 . 1 . 1 76 76 VAL CA C 13 62.055 0.017 . . . . . . . 76 V CA . 52696 1 308 . 1 . 1 76 76 VAL CB C 13 33.069 0.000 . . . . . . . 76 V CB . 52696 1 309 . 1 . 1 76 76 VAL N N 15 122.965 0.000 . . . . . . . 76 V N . 52696 1 310 . 1 . 1 77 77 ALA H H 1 8.253 0.000 . . . . . . . 77 A HN . 52696 1 311 . 1 . 1 77 77 ALA C C 13 177.552 0.000 . . . . . . . 77 A CO . 52696 1 312 . 1 . 1 77 77 ALA CA C 13 52.328 0.000 . . . . . . . 77 A CA . 52696 1 313 . 1 . 1 77 77 ALA CB C 13 19.287 0.000 . . . . . . . 77 A CB . 52696 1 314 . 1 . 1 77 77 ALA N N 15 128.885 0.000 . . . . . . . 77 A N . 52696 1 315 . 1 . 1 78 78 VAL C C 13 176.174 0.000 . . . . . . . 78 V CO . 52696 1 316 . 1 . 1 78 78 VAL CA C 13 62.367 0.000 . . . . . . . 78 V CA . 52696 1 317 . 1 . 1 78 78 VAL CB C 13 32.867 0.000 . . . . . . . 78 V CB . 52696 1 318 . 1 . 1 79 79 VAL H H 1 8.199 0.000 . . . . . . . 79 V HN . 52696 1 319 . 1 . 1 79 79 VAL C C 13 176.035 0.013 . . . . . . . 79 V CO . 52696 1 320 . 1 . 1 79 79 VAL CA C 13 62.319 0.021 . . . . . . . 79 V CA . 52696 1 321 . 1 . 1 79 79 VAL N N 15 126.281 0.000 . . . . . . . 79 V N . 52696 1 322 . 1 . 1 80 80 ARG H H 1 8.398 0.000 . . . . . . . 80 R HN . 52696 1 323 . 1 . 1 80 80 ARG C C 13 176.169 0.008 . . . . . . . 80 R CO . 52696 1 324 . 1 . 1 80 80 ARG CA C 13 55.806 0.007 . . . . . . . 80 R CA . 52696 1 325 . 1 . 1 80 80 ARG CB C 13 30.983 0.020 . . . . . . . 80 R CB . 52696 1 326 . 1 . 1 80 80 ARG N N 15 126.579 0.000 . . . . . . . 80 R N . 52696 1 327 . 1 . 1 81 81 THR H H 1 8.176 0.000 . . . . . . . 81 T HN . 52696 1 328 . 1 . 1 81 81 THR CA C 13 60.037 0.067 . . . . . . . 81 T CA . 52696 1 329 . 1 . 1 81 81 THR CB C 13 69.537 0.000 . . . . . . . 81 T CB . 52696 1 330 . 1 . 1 81 81 THR N N 15 119.469 0.000 . . . . . . . 81 T N . 52696 1 331 . 1 . 1 82 82 PRO C C 13 174.634 0.000 . . . . . . . 82 P CO . 52696 1 332 . 1 . 1 82 82 PRO CA C 13 61.582 0.009 . . . . . . . 82 P CA . 52696 1 333 . 1 . 1 82 82 PRO N N 15 141.007 0.000 . . . . . . . 82 P N . 52696 1 334 . 1 . 1 83 83 PRO CA C 13 62.530 0.000 . . . . . . . 83 P CA . 52696 1 335 . 1 . 1 83 83 PRO N N 15 135.551 0.000 . . . . . . . 83 P N . 52696 1 336 . 1 . 1 85 85 SER C C 13 172.851 0.000 . . . . . . . 85 S CO . 52696 1 337 . 1 . 1 85 85 SER CA C 13 56.447 0.000 . . . . . . . 85 S CA . 52696 1 338 . 1 . 1 86 86 PRO C C 13 177.243 0.000 . . . . . . . 86 P CO . 52696 1 339 . 1 . 1 86 86 PRO CA C 13 63.422 0.048 . . . . . . . 86 P CA . 52696 1 340 . 1 . 1 86 86 PRO CB C 13 32.305 0.000 . . . . . . . 86 P CB . 52696 1 341 . 1 . 1 86 86 PRO N N 15 137.956 0.000 . . . . . . . 86 P N . 52696 1 342 . 1 . 1 87 87 SER H H 1 8.294 0.000 . . . . . . . 87 S HN . 52696 1 343 . 1 . 1 87 87 SER C C 13 174.983 0.021 . . . . . . . 87 S CO . 52696 1 344 . 1 . 1 87 87 SER CA C 13 58.597 0.024 . . . . . . . 87 S CA . 52696 1 345 . 1 . 1 87 87 SER CB C 13 63.772 0.028 . . . . . . . 87 S CB . 52696 1 346 . 1 . 1 87 87 SER N N 15 116.163 0.000 . . . . . . . 87 S N . 52696 1 347 . 1 . 1 88 88 SER H H 1 8.206 0.000 . . . . . . . 88 S HN . 52696 1 348 . 1 . 1 88 88 SER C C 13 174.615 0.000 . . . . . . . 88 S CO . 52696 1 349 . 1 . 1 88 88 SER CA C 13 58.430 0.006 . . . . . . . 88 S CA . 52696 1 350 . 1 . 1 88 88 SER CB C 13 63.897 0.129 . . . . . . . 88 S CB . 52696 1 351 . 1 . 1 88 88 SER N N 15 118.171 0.000 . . . . . . . 88 S N . 52696 1 352 . 1 . 1 89 89 ALA H H 1 8.140 0.000 . . . . . . . 89 A HN . 52696 1 353 . 1 . 1 89 89 ALA C C 13 178.247 0.000 . . . . . . . 89 A CO . 52696 1 354 . 1 . 1 89 89 ALA CA C 13 53.064 0.010 . . . . . . . 89 A CA . 52696 1 355 . 1 . 1 89 89 ALA CB C 13 19.068 0.031 . . . . . . . 89 A CB . 52696 1 356 . 1 . 1 89 89 ALA N N 15 125.813 0.000 . . . . . . . 89 A N . 52696 1 357 . 1 . 1 90 90 LYS H H 1 8.059 0.000 . . . . . . . 90 K HN . 52696 1 358 . 1 . 1 90 90 LYS C C 13 177.177 0.012 . . . . . . . 90 K CO . 52696 1 359 . 1 . 1 90 90 LYS CA C 13 56.669 0.013 . . . . . . . 90 K CA . 52696 1 360 . 1 . 1 90 90 LYS CB C 13 32.874 0.007 . . . . . . . 90 K CB . 52696 1 361 . 1 . 1 90 90 LYS N N 15 120.017 0.000 . . . . . . . 90 K N . 52696 1 362 . 1 . 1 91 91 SER H H 1 8.063 0.000 . . . . . . . 91 S HN . 52696 1 363 . 1 . 1 91 91 SER C C 13 174.860 0.000 . . . . . . . 91 S CO . 52696 1 364 . 1 . 1 91 91 SER CA C 13 58.683 0.000 . . . . . . . 91 S CA . 52696 1 365 . 1 . 1 91 91 SER CB C 13 63.667 0.000 . . . . . . . 91 S CB . 52696 1 366 . 1 . 1 91 91 SER N N 15 116.751 0.000 . . . . . . . 91 S N . 52696 1 367 . 1 . 1 92 92 ARG C C 13 176.435 0.000 . . . . . . . 92 R CO . 52696 1 368 . 1 . 1 92 92 ARG CA C 13 53.410 0.000 . . . . . . . 92 R CA . 52696 1 369 . 1 . 1 93 93 LEU H H 1 7.976 0.000 . . . . . . . 93 L HN . 52696 1 370 . 1 . 1 93 93 LEU C C 13 177.480 0.013 . . . . . . . 93 L CO . 52696 1 371 . 1 . 1 93 93 LEU CA C 13 55.300 0.007 . . . . . . . 93 L CA . 52696 1 372 . 1 . 1 93 93 LEU CB C 13 42.275 0.016 . . . . . . . 93 L CB . 52696 1 373 . 1 . 1 93 93 LEU N N 15 122.638 0.000 . . . . . . . 93 L N . 52696 1 374 . 1 . 1 94 94 GLN H H 1 8.201 0.000 . . . . . . . 94 Q HN . 52696 1 375 . 1 . 1 94 94 GLN C C 13 176.085 0.014 . . . . . . . 94 Q CO . 52696 1 376 . 1 . 1 94 94 GLN CA C 13 55.844 0.051 . . . . . . . 94 Q CA . 52696 1 377 . 1 . 1 94 94 GLN CB C 13 29.569 0.132 . . . . . . . 94 Q CB . 52696 1 378 . 1 . 1 94 94 GLN N N 15 121.500 0.000 . . . . . . . 94 Q N . 52696 1 379 . 1 . 1 95 95 THR H H 1 7.963 0.000 . . . . . . . 95 T HN . 52696 1 380 . 1 . 1 95 95 THR C C 13 173.990 0.007 . . . . . . . 95 T CO . 52696 1 381 . 1 . 1 95 95 THR N N 15 115.967 0.000 . . . . . . . 95 T N . 52696 1 382 . 1 . 1 96 96 ALA H H 1 8.158 0.000 . . . . . . . 96 A HN . 52696 1 383 . 1 . 1 96 96 ALA C C 13 175.418 0.017 . . . . . . . 96 A CO . 52696 1 384 . 1 . 1 96 96 ALA CA C 13 50.690 0.026 . . . . . . . 96 A CA . 52696 1 385 . 1 . 1 96 96 ALA CB C 13 18.086 0.000 . . . . . . . 96 A CB . 52696 1 386 . 1 . 1 96 96 ALA N N 15 128.086 0.000 . . . . . . . 96 A N . 52696 1 387 . 1 . 1 97 97 PRO C C 13 176.943 0.000 . . . . . . . 97 P CO . 52696 1 388 . 1 . 1 97 97 PRO N N 15 135.538 0.000 . . . . . . . 97 P N . 52696 1 389 . 1 . 1 98 98 VAL H H 1 8.332 0.000 . . . . . . . 98 V HN . 52696 1 390 . 1 . 1 98 98 VAL CB C 13 33.046 0.000 . . . . . . . 98 V CB . 52696 1 391 . 1 . 1 98 98 VAL N N 15 122.077 0.000 . . . . . . . 98 V N . 52696 1 392 . 1 . 1 99 99 PRO C C 13 176.642 0.000 . . . . . . . 99 P CO . 52696 1 393 . 1 . 1 99 99 PRO CA C 13 62.956 0.035 . . . . . . . 99 P CA . 52696 1 394 . 1 . 1 99 99 PRO CB C 13 32.235 0.000 . . . . . . . 99 P CB . 52696 1 395 . 1 . 1 99 99 PRO N N 15 139.347 0.000 . . . . . . . 99 P N . 52696 1 396 . 1 . 1 100 100 MET H H 1 8.289 0.000 . . . . . . . 100 M HN . 52696 1 397 . 1 . 1 100 100 MET C C 13 174.589 0.025 . . . . . . . 100 M CO . 52696 1 398 . 1 . 1 100 100 MET CA C 13 53.213 0.032 . . . . . . . 100 M CA . 52696 1 399 . 1 . 1 100 100 MET CB C 13 33.194 0.000 . . . . . . . 100 M CB . 52696 1 400 . 1 . 1 100 100 MET N N 15 122.087 0.000 . . . . . . . 100 M N . 52696 1 401 . 1 . 1 101 101 PRO C C 13 176.368 0.000 . . . . . . . 101 P CO . 52696 1 402 . 1 . 1 101 101 PRO CA C 13 63.222 0.012 . . . . . . . 101 P CA . 52696 1 403 . 1 . 1 101 101 PRO CB C 13 32.336 0.000 . . . . . . . 101 P CB . 52696 1 404 . 1 . 1 101 101 PRO N N 15 136.820 0.000 . . . . . . . 101 P N . 52696 1 405 . 1 . 1 102 102 ASP H H 1 8.266 0.000 . . . . . . . 102 D HN . 52696 1 406 . 1 . 1 102 102 ASP C C 13 176.614 0.000 . . . . . . . 102 D CO . 52696 1 407 . 1 . 1 102 102 ASP CA C 13 54.043 0.004 . . . . . . . 102 D CA . 52696 1 408 . 1 . 1 102 102 ASP CB C 13 40.978 0.012 . . . . . . . 102 D CB . 52696 1 409 . 1 . 1 102 102 ASP N N 15 120.621 0.000 . . . . . . . 102 D N . 52696 1 410 . 1 . 1 103 103 LEU H H 1 8.111 0.000 . . . . . . . 103 L HN . 52696 1 411 . 1 . 1 103 103 LEU C C 13 177.874 0.002 . . . . . . . 103 L CO . 52696 1 412 . 1 . 1 103 103 LEU CA C 13 55.444 0.007 . . . . . . . 103 L CA . 52696 1 413 . 1 . 1 103 103 LEU CB C 13 41.917 0.008 . . . . . . . 103 L CB . 52696 1 414 . 1 . 1 103 103 LEU N N 15 123.614 0.000 . . . . . . . 103 L N . 52696 1 415 . 1 . 1 104 104 LYS H H 1 8.104 0.000 . . . . . . . 104 K HN . 52696 1 416 . 1 . 1 104 104 LYS C C 13 176.573 0.061 . . . . . . . 104 K CO . 52696 1 417 . 1 . 1 104 104 LYS CA C 13 56.861 0.000 . . . . . . . 104 K CA . 52696 1 418 . 1 . 1 104 104 LYS CB C 13 32.664 0.000 . . . . . . . 104 K CB . 52696 1 419 . 1 . 1 104 104 LYS N N 15 120.474 0.000 . . . . . . . 104 K N . 52696 1 420 . 1 . 1 105 105 ASN C C 13 175.208 0.000 . . . . . . . 105 N CO . 52696 1 421 . 1 . 1 105 105 ASN CA C 13 53.218 0.000 . . . . . . . 105 N CA . 52696 1 422 . 1 . 1 105 105 ASN CB C 13 38.799 0.000 . . . . . . . 105 N CB . 52696 1 423 . 1 . 1 105 105 ASN N N 15 118.583 0.000 . . . . . . . 105 N N . 52696 1 424 . 1 . 1 106 106 VAL H H 1 7.811 0.000 . . . . . . . 106 V HN . 52696 1 425 . 1 . 1 106 106 VAL C C 13 176.423 0.000 . . . . . . . 106 V CO . 52696 1 426 . 1 . 1 106 106 VAL CA C 13 62.668 0.028 . . . . . . . 106 V CA . 52696 1 427 . 1 . 1 106 106 VAL CB C 13 32.570 0.054 . . . . . . . 106 V CB . 52696 1 428 . 1 . 1 106 106 VAL N N 15 120.535 0.000 . . . . . . . 106 V N . 52696 1 429 . 1 . 1 107 107 LYS H H 1 8.257 0.000 . . . . . . . 107 K HN . 52696 1 430 . 1 . 1 107 107 LYS C C 13 176.804 0.002 . . . . . . . 107 K CO . 52696 1 431 . 1 . 1 107 107 LYS CA C 13 56.410 0.021 . . . . . . . 107 K CA . 52696 1 432 . 1 . 1 107 107 LYS CB C 13 32.991 0.125 . . . . . . . 107 K CB . 52696 1 433 . 1 . 1 107 107 LYS N N 15 125.131 0.000 . . . . . . . 107 K N . 52696 1 434 . 1 . 1 108 108 SER H H 1 8.118 0.000 . . . . . . . 108 S HN . 52696 1 435 . 1 . 1 108 108 SER C C 13 174.607 0.004 . . . . . . . 108 S CO . 52696 1 436 . 1 . 1 108 108 SER CA C 13 58.498 0.048 . . . . . . . 108 S CA . 52696 1 437 . 1 . 1 108 108 SER CB C 13 63.769 0.008 . . . . . . . 108 S CB . 52696 1 438 . 1 . 1 108 108 SER N N 15 117.243 0.000 . . . . . . . 108 S N . 52696 1 439 . 1 . 1 109 109 LYS H H 1 8.249 0.000 . . . . . . . 109 K HN . 52696 1 440 . 1 . 1 109 109 LYS C C 13 176.782 0.003 . . . . . . . 109 K CO . 52696 1 441 . 1 . 1 109 109 LYS CA C 13 56.402 0.035 . . . . . . . 109 K CA . 52696 1 442 . 1 . 1 109 109 LYS CB C 13 32.929 0.039 . . . . . . . 109 K CB . 52696 1 443 . 1 . 1 109 109 LYS N N 15 123.669 0.000 . . . . . . . 109 K N . 52696 1 444 . 1 . 1 110 110 ILE H H 1 8.017 0.000 . . . . . . . 110 I HN . 52696 1 445 . 1 . 1 110 110 ILE C C 13 176.997 0.000 . . . . . . . 110 I CO . 52696 1 446 . 1 . 1 110 110 ILE CA C 13 61.600 0.034 . . . . . . . 110 I CA . 52696 1 447 . 1 . 1 110 110 ILE CB C 13 38.437 0.004 . . . . . . . 110 I CB . 52696 1 448 . 1 . 1 110 110 ILE N N 15 122.509 0.000 . . . . . . . 110 I N . 52696 1 449 . 1 . 1 111 111 GLY H H 1 8.367 0.000 . . . . . . . 111 G HN . 52696 1 450 . 1 . 1 111 111 GLY C C 13 174.226 0.010 . . . . . . . 111 G CO . 52696 1 451 . 1 . 1 111 111 GLY CA C 13 45.237 0.017 . . . . . . . 111 G CA . 52696 1 452 . 1 . 1 111 111 GLY N N 15 113.511 0.000 . . . . . . . 111 G N . 52696 1 453 . 1 . 1 112 112 SER H H 1 8.061 0.000 . . . . . . . 112 S HN . 52696 1 454 . 1 . 1 112 112 SER C C 13 175.392 0.011 . . . . . . . 112 S CO . 52696 1 455 . 1 . 1 112 112 SER CA C 13 58.419 0.004 . . . . . . . 112 S CA . 52696 1 456 . 1 . 1 112 112 SER CB C 13 63.854 0.000 . . . . . . . 112 S CB . 52696 1 457 . 1 . 1 112 112 SER N N 15 115.573 0.000 . . . . . . . 112 S N . 52696 1 458 . 1 . 1 113 113 THR H H 1 8.182 0.000 . . . . . . . 113 T HN . 52696 1 459 . 1 . 1 113 113 THR C C 13 175.006 0.007 . . . . . . . 113 T CO . 52696 1 460 . 1 . 1 113 113 THR CA C 13 62.264 0.000 . . . . . . . 113 T CA . 52696 1 461 . 1 . 1 113 113 THR CB C 13 69.420 0.000 . . . . . . . 113 T CB . 52696 1 462 . 1 . 1 113 113 THR N N 15 115.869 0.000 . . . . . . . 113 T N . 52696 1 463 . 1 . 1 114 114 GLU H H 1 8.193 0.000 . . . . . . . 114 E HN . 52696 1 464 . 1 . 1 114 114 GLU C C 13 176.312 0.002 . . . . . . . 114 E CO . 52696 1 465 . 1 . 1 114 114 GLU CA C 13 57.026 0.006 . . . . . . . 114 E CA . 52696 1 466 . 1 . 1 114 114 GLU CB C 13 30.267 0.027 . . . . . . . 114 E CB . 52696 1 467 . 1 . 1 114 114 GLU N N 15 122.820 0.000 . . . . . . . 114 E N . 52696 1 468 . 1 . 1 115 115 ASN H H 1 8.260 0.000 . . . . . . . 115 N HN . 52696 1 469 . 1 . 1 115 115 ASN C C 13 175.386 0.002 . . . . . . . 115 N CO . 52696 1 470 . 1 . 1 115 115 ASN CA C 13 53.413 0.004 . . . . . . . 115 N CA . 52696 1 471 . 1 . 1 115 115 ASN CB C 13 38.674 0.008 . . . . . . . 115 N CB . 52696 1 472 . 1 . 1 115 115 ASN N N 15 119.266 0.000 . . . . . . . 115 N N . 52696 1 473 . 1 . 1 116 116 LEU H H 1 7.976 0.000 . . . . . . . 116 L HN . 52696 1 474 . 1 . 1 116 116 LEU C C 13 177.617 0.001 . . . . . . . 116 L CO . 52696 1 475 . 1 . 1 116 116 LEU CA C 13 55.399 0.017 . . . . . . . 116 L CA . 52696 1 476 . 1 . 1 116 116 LEU CB C 13 42.096 0.046 . . . . . . . 116 L CB . 52696 1 477 . 1 . 1 116 116 LEU N N 15 122.236 0.000 . . . . . . . 116 L N . 52696 1 478 . 1 . 1 117 117 LYS H H 1 7.987 0.000 . . . . . . . 117 K HN . 52696 1 479 . 1 . 1 117 117 LYS C C 13 176.440 0.006 . . . . . . . 117 K CO . 52696 1 480 . 1 . 1 117 117 LYS CA C 13 56.508 0.037 . . . . . . . 117 K CA . 52696 1 481 . 1 . 1 117 117 LYS CB C 13 32.894 0.035 . . . . . . . 117 K CB . 52696 1 482 . 1 . 1 117 117 LYS N N 15 120.973 0.000 . . . . . . . 117 K N . 52696 1 483 . 1 . 1 118 118 HIS H H 1 8.009 0.000 . . . . . . . 118 H HN . 52696 1 484 . 1 . 1 118 118 HIS C C 13 175.025 0.002 . . . . . . . 118 H CO . 52696 1 485 . 1 . 1 118 118 HIS CA C 13 55.971 0.021 . . . . . . . 118 H CA . 52696 1 486 . 1 . 1 118 118 HIS CB C 13 30.691 0.046 . . . . . . . 118 H CB . 52696 1 487 . 1 . 1 118 118 HIS N N 15 119.926 0.000 . . . . . . . 118 H N . 52696 1 488 . 1 . 1 119 119 GLN H H 1 8.143 0.000 . . . . . . . 119 Q HN . 52696 1 489 . 1 . 1 119 119 GLN C C 13 173.885 0.007 . . . . . . . 119 Q CO . 52696 1 490 . 1 . 1 119 119 GLN CA C 13 53.383 0.046 . . . . . . . 119 Q CA . 52696 1 491 . 1 . 1 119 119 GLN CB C 13 29.039 0.000 . . . . . . . 119 Q CB . 52696 1 492 . 1 . 1 119 119 GLN N N 15 123.017 0.000 . . . . . . . 119 Q N . 52696 1 493 . 1 . 1 120 120 PRO CA C 13 63.449 0.000 . . . . . . . 120 P CA . 52696 1 494 . 1 . 1 120 120 PRO N N 15 137.443 0.000 . . . . . . . 120 P N . 52696 1 495 . 1 . 1 123 123 GLY C C 13 174.060 0.000 . . . . . . . 123 G CO . 52696 1 496 . 1 . 1 123 123 GLY CA C 13 45.096 0.000 . . . . . . . 123 G CA . 52696 1 497 . 1 . 1 124 124 LYS H H 1 7.982 0.000 . . . . . . . 124 K HN . 52696 1 498 . 1 . 1 124 124 LYS C C 13 176.810 0.000 . . . . . . . 124 K CO . 52696 1 499 . 1 . 1 124 124 LYS CA C 13 56.235 0.018 . . . . . . . 124 K CA . 52696 1 500 . 1 . 1 124 124 LYS CB C 13 33.170 0.055 . . . . . . . 124 K CB . 52696 1 501 . 1 . 1 124 124 LYS N N 15 120.678 0.000 . . . . . . . 124 K N . 52696 1 502 . 1 . 1 125 125 VAL H H 1 8.036 0.000 . . . . . . . 125 V HN . 52696 1 503 . 1 . 1 125 125 VAL C C 13 176.060 0.011 . . . . . . . 125 V CO . 52696 1 504 . 1 . 1 125 125 VAL CA C 13 62.453 0.030 . . . . . . . 125 V CA . 52696 1 505 . 1 . 1 125 125 VAL CB C 13 32.594 0.015 . . . . . . . 125 V CB . 52696 1 506 . 1 . 1 125 125 VAL N N 15 122.343 0.000 . . . . . . . 125 V N . 52696 1 507 . 1 . 1 126 126 GLN H H 1 8.346 0.000 . . . . . . . 126 Q HN . 52696 1 508 . 1 . 1 126 126 GLN C C 13 175.636 0.006 . . . . . . . 126 Q CO . 52696 1 509 . 1 . 1 126 126 GLN CA C 13 55.519 0.007 . . . . . . . 126 Q CA . 52696 1 510 . 1 . 1 126 126 GLN CB C 13 29.756 0.008 . . . . . . . 126 Q CB . 52696 1 511 . 1 . 1 126 126 GLN N N 15 125.382 0.000 . . . . . . . 126 Q N . 52696 1 512 . 1 . 1 127 127 ILE H H 1 8.202 0.000 . . . . . . . 127 I HN . 52696 1 513 . 1 . 1 127 127 ILE C C 13 176.168 0.006 . . . . . . . 127 I CO . 52696 1 514 . 1 . 1 127 127 ILE CA C 13 61.038 0.013 . . . . . . . 127 I CA . 52696 1 515 . 1 . 1 127 127 ILE CB C 13 38.475 0.020 . . . . . . . 127 I CB . 52696 1 516 . 1 . 1 127 127 ILE N N 15 124.293 0.000 . . . . . . . 127 I N . 52696 1 517 . 1 . 1 128 128 ILE H H 1 8.166 0.000 . . . . . . . 128 I HN . 52696 1 518 . 1 . 1 128 128 ILE C C 13 175.774 0.012 . . . . . . . 128 I CO . 52696 1 519 . 1 . 1 128 128 ILE CA C 13 60.812 0.007 . . . . . . . 128 I CA . 52696 1 520 . 1 . 1 128 128 ILE N N 15 126.331 0.000 . . . . . . . 128 I N . 52696 1 521 . 1 . 1 129 129 ASN H H 1 8.410 0.000 . . . . . . . 129 N HN . 52696 1 522 . 1 . 1 129 129 ASN C C 13 175.116 0.002 . . . . . . . 129 N CO . 52696 1 523 . 1 . 1 129 129 ASN CA C 13 53.064 0.010 . . . . . . . 129 N CA . 52696 1 524 . 1 . 1 129 129 ASN CB C 13 39.002 0.062 . . . . . . . 129 N CB . 52696 1 525 . 1 . 1 129 129 ASN N N 15 124.035 0.000 . . . . . . . 129 N N . 52696 1 526 . 1 . 1 130 130 LYS H H 1 8.218 0.000 . . . . . . . 130 K HN . 52696 1 527 . 1 . 1 130 130 LYS N N 15 123.035 0.000 . . . . . . . 130 K N . 52696 1 528 . 1 . 1 131 131 LYS H H 1 8.128 0.000 . . . . . . . 131 K HN . 52696 1 529 . 1 . 1 131 131 LYS C C 13 176.620 0.002 . . . . . . . 131 K CO . 52696 1 530 . 1 . 1 131 131 LYS CB C 13 32.843 0.000 . . . . . . . 131 K CB . 52696 1 531 . 1 . 1 131 131 LYS N N 15 122.447 0.000 . . . . . . . 131 K N . 52696 1 532 . 1 . 1 132 132 LEU H H 1 7.975 0.000 . . . . . . . 132 L HN . 52696 1 533 . 1 . 1 132 132 LEU C C 13 176.829 0.004 . . . . . . . 132 L CO . 52696 1 534 . 1 . 1 132 132 LEU CA C 13 55.108 0.000 . . . . . . . 132 L CA . 52696 1 535 . 1 . 1 132 132 LEU CB C 13 42.467 0.004 . . . . . . . 132 L CB . 52696 1 536 . 1 . 1 132 132 LEU N N 15 123.427 0.000 . . . . . . . 132 L N . 52696 1 537 . 1 . 1 133 133 ASP H H 1 8.165 0.000 . . . . . . . 133 D HN . 52696 1 538 . 1 . 1 133 133 ASP C C 13 176.548 0.004 . . . . . . . 133 D CO . 52696 1 539 . 1 . 1 133 133 ASP CA C 13 53.968 0.010 . . . . . . . 133 D CA . 52696 1 540 . 1 . 1 133 133 ASP CB C 13 40.970 0.012 . . . . . . . 133 D CB . 52696 1 541 . 1 . 1 133 133 ASP N N 15 121.880 0.000 . . . . . . . 133 D N . 52696 1 542 . 1 . 1 134 134 LEU H H 1 8.219 0.000 . . . . . . . 134 L HN . 52696 1 543 . 1 . 1 134 134 LEU C C 13 178.023 0.002 . . . . . . . 134 L CO . 52696 1 544 . 1 . 1 134 134 LEU CA C 13 55.269 0.010 . . . . . . . 134 L CA . 52696 1 545 . 1 . 1 134 134 LEU CB C 13 41.746 0.031 . . . . . . . 134 L CB . 52696 1 546 . 1 . 1 134 134 LEU N N 15 123.997 0.000 . . . . . . . 134 L N . 52696 1 547 . 1 . 1 135 135 SER H H 1 8.166 0.000 . . . . . . . 135 S HN . 52696 1 548 . 1 . 1 135 135 SER C C 13 174.683 0.009 . . . . . . . 135 S CO . 52696 1 549 . 1 . 1 135 135 SER CA C 13 59.508 0.004 . . . . . . . 135 S CA . 52696 1 550 . 1 . 1 135 135 SER CB C 13 63.508 0.051 . . . . . . . 135 S CB . 52696 1 551 . 1 . 1 135 135 SER N N 15 115.897 0.000 . . . . . . . 135 S N . 52696 1 552 . 1 . 1 136 136 ASN H H 1 8.097 0.000 . . . . . . . 136 N HN . 52696 1 553 . 1 . 1 136 136 ASN C C 13 175.384 0.008 . . . . . . . 136 N CO . 52696 1 554 . 1 . 1 136 136 ASN CA C 13 53.300 0.027 . . . . . . . 136 N CA . 52696 1 555 . 1 . 1 136 136 ASN CB C 13 38.881 0.012 . . . . . . . 136 N CB . 52696 1 556 . 1 . 1 136 136 ASN N N 15 120.182 0.000 . . . . . . . 136 N N . 52696 1 557 . 1 . 1 137 137 VAL H H 1 7.763 0.000 . . . . . . . 137 V HN . 52696 1 558 . 1 . 1 137 137 VAL C C 13 176.551 0.005 . . . . . . . 137 V CO . 52696 1 559 . 1 . 1 137 137 VAL CA C 13 62.939 0.024 . . . . . . . 137 V CA . 52696 1 560 . 1 . 1 137 137 VAL CB C 13 32.640 0.155 . . . . . . . 137 V CB . 52696 1 561 . 1 . 1 137 137 VAL N N 15 120.185 0.000 . . . . . . . 137 V N . 52696 1 562 . 1 . 1 138 138 GLN H H 1 8.289 0.000 . . . . . . . 138 Q HN . 52696 1 563 . 1 . 1 138 138 GLN C C 13 176.310 0.008 . . . . . . . 138 Q CO . 52696 1 564 . 1 . 1 138 138 GLN CA C 13 56.015 0.031 . . . . . . . 138 Q CA . 52696 1 565 . 1 . 1 138 138 GLN CB C 13 29.296 0.008 . . . . . . . 138 Q CB . 52696 1 566 . 1 . 1 138 138 GLN N N 15 123.783 0.000 . . . . . . . 138 Q N . 52696 1 567 . 1 . 1 139 139 SER H H 1 8.171 0.000 . . . . . . . 139 S HN . 52696 1 568 . 1 . 1 139 139 SER C C 13 174.839 0.006 . . . . . . . 139 S CO . 52696 1 569 . 1 . 1 139 139 SER CA C 13 58.577 0.011 . . . . . . . 139 S CA . 52696 1 570 . 1 . 1 139 139 SER CB C 13 63.776 0.008 . . . . . . . 139 S CB . 52696 1 571 . 1 . 1 139 139 SER N N 15 117.324 0.000 . . . . . . . 139 S N . 52696 1 572 . 1 . 1 140 140 LYS H H 1 8.258 0.000 . . . . . . . 140 K HN . 52696 1 573 . 1 . 1 140 140 LYS C C 13 176.802 0.000 . . . . . . . 140 K CO . 52696 1 574 . 1 . 1 140 140 LYS CA C 13 56.539 0.000 . . . . . . . 140 K CA . 52696 1 575 . 1 . 1 140 140 LYS CB C 13 30.816 0.000 . . . . . . . 140 K CB . 52696 1 576 . 1 . 1 140 140 LYS N N 15 123.281 0.000 . . . . . . . 140 K N . 52696 1 577 . 1 . 1 141 141 CYS C C 13 175.325 0.000 . . . . . . . 141 C CO . 52696 1 578 . 1 . 1 141 141 CYS CA C 13 58.977 0.000 . . . . . . . 141 C CA . 52696 1 579 . 1 . 1 141 141 CYS CB C 13 28.205 0.000 . . . . . . . 141 C CB . 52696 1 580 . 1 . 1 142 142 GLY H H 1 8.347 0.000 . . . . . . . 142 G HN . 52696 1 581 . 1 . 1 142 142 GLY C C 13 174.271 0.000 . . . . . . . 142 G CO . 52696 1 582 . 1 . 1 142 142 GLY CA C 13 45.350 0.000 . . . . . . . 142 G CA . 52696 1 583 . 1 . 1 142 142 GLY N N 15 111.722 0.000 . . . . . . . 142 G N . 52696 1 584 . 1 . 1 143 143 SER H H 1 8.100 0.000 . . . . . . . 143 S HN . 52696 1 585 . 1 . 1 143 143 SER C C 13 175.175 0.002 . . . . . . . 143 S CO . 52696 1 586 . 1 . 1 143 143 SER CA C 13 58.642 0.000 . . . . . . . 143 S CA . 52696 1 587 . 1 . 1 143 143 SER CB C 13 63.815 0.000 . . . . . . . 143 S CB . 52696 1 588 . 1 . 1 143 143 SER N N 15 115.863 0.000 . . . . . . . 143 S N . 52696 1 589 . 1 . 1 144 144 LYS H H 1 8.313 0.000 . . . . . . . 144 K HN . 52696 1 590 . 1 . 1 144 144 LYS C C 13 176.521 0.000 . . . . . . . 144 K CO . 52696 1 591 . 1 . 1 144 144 LYS CA C 13 56.608 0.000 . . . . . . . 144 K CA . 52696 1 592 . 1 . 1 144 144 LYS CB C 13 32.633 0.000 . . . . . . . 144 K CB . 52696 1 593 . 1 . 1 144 144 LYS N N 15 123.056 0.000 . . . . . . . 144 K N . 52696 1 594 . 1 . 1 146 146 ASN C C 13 175.122 0.000 . . . . . . . 146 N CO . 52696 1 595 . 1 . 1 146 146 ASN CA C 13 53.341 0.000 . . . . . . . 146 N CA . 52696 1 596 . 1 . 1 146 146 ASN CB C 13 38.744 0.000 . . . . . . . 146 N CB . 52696 1 597 . 1 . 1 147 147 ILE H H 1 7.812 0.000 . . . . . . . 147 I HN . 52696 1 598 . 1 . 1 147 147 ILE C C 13 176.183 0.006 . . . . . . . 147 I CO . 52696 1 599 . 1 . 1 147 147 ILE CA C 13 61.275 0.010 . . . . . . . 147 I CA . 52696 1 600 . 1 . 1 147 147 ILE CB C 13 38.339 0.109 . . . . . . . 147 I CB . 52696 1 601 . 1 . 1 147 147 ILE N N 15 121.016 0.000 . . . . . . . 147 I N . 52696 1 602 . 1 . 1 148 148 LYS H H 1 8.157 0.000 . . . . . . . 148 K HN . 52696 1 603 . 1 . 1 148 148 LYS C C 13 176.120 0.009 . . . . . . . 148 K CO . 52696 1 604 . 1 . 1 148 148 LYS N N 15 125.415 0.000 . . . . . . . 148 K N . 52696 1 605 . 1 . 1 149 149 HIS H H 1 8.196 0.000 . . . . . . . 149 H HN . 52696 1 606 . 1 . 1 149 149 HIS C C 13 174.985 0.000 . . . . . . . 149 H CO . 52696 1 607 . 1 . 1 149 149 HIS CB C 13 30.680 0.121 . . . . . . . 149 H CB . 52696 1 608 . 1 . 1 149 149 HIS N N 15 122.018 0.000 . . . . . . . 149 H N . 52696 1 609 . 1 . 1 150 150 VAL H H 1 8.002 0.000 . . . . . . . 150 V HN . 52696 1 610 . 1 . 1 150 150 VAL C C 13 174.303 0.005 . . . . . . . 150 V CO . 52696 1 611 . 1 . 1 150 150 VAL CA C 13 59.755 0.017 . . . . . . . 150 V CA . 52696 1 612 . 1 . 1 150 150 VAL CB C 13 32.742 0.000 . . . . . . . 150 V CB . 52696 1 613 . 1 . 1 150 150 VAL N N 15 124.579 0.000 . . . . . . . 150 V N . 52696 1 614 . 1 . 1 151 151 PRO CA C 13 63.586 0.000 . . . . . . . 151 P CA . 52696 1 615 . 1 . 1 151 151 PRO N N 15 139.811 0.000 . . . . . . . 151 P N . 52696 1 616 . 1 . 1 154 154 GLY C C 13 174.212 0.000 . . . . . . . 154 G CO . 52696 1 617 . 1 . 1 154 154 GLY CA C 13 45.158 0.000 . . . . . . . 154 G CA . 52696 1 618 . 1 . 1 155 155 SER H H 1 8.070 0.000 . . . . . . . 155 S HN . 52696 1 619 . 1 . 1 155 155 SER C C 13 174.614 0.015 . . . . . . . 155 S CO . 52696 1 620 . 1 . 1 155 155 SER CA C 13 58.313 0.014 . . . . . . . 155 S CA . 52696 1 621 . 1 . 1 155 155 SER CB C 13 63.850 0.004 . . . . . . . 155 S CB . 52696 1 622 . 1 . 1 155 155 SER N N 15 115.562 0.000 . . . . . . . 155 S N . 52696 1 623 . 1 . 1 156 156 VAL H H 1 8.016 0.000 . . . . . . . 156 V HN . 52696 1 624 . 1 . 1 156 156 VAL C C 13 176.039 0.005 . . . . . . . 156 V CO . 52696 1 625 . 1 . 1 156 156 VAL CA C 13 62.288 0.017 . . . . . . . 156 V CA . 52696 1 626 . 1 . 1 156 156 VAL CB C 13 32.758 0.007 . . . . . . . 156 V CB . 52696 1 627 . 1 . 1 156 156 VAL N N 15 121.910 0.000 . . . . . . . 156 V N . 52696 1 628 . 1 . 1 157 157 GLN H H 1 8.285 0.000 . . . . . . . 157 Q HN . 52696 1 629 . 1 . 1 157 157 GLN C C 13 175.664 0.009 . . . . . . . 157 Q CO . 52696 1 630 . 1 . 1 157 157 GLN CA C 13 55.536 0.004 . . . . . . . 157 Q CA . 52696 1 631 . 1 . 1 157 157 GLN CB C 13 29.553 0.071 . . . . . . . 157 Q CB . 52696 1 632 . 1 . 1 157 157 GLN N N 15 124.951 0.000 . . . . . . . 157 Q N . 52696 1 633 . 1 . 1 158 158 ILE H H 1 8.135 0.000 . . . . . . . 158 I HN . 52696 1 634 . 1 . 1 158 158 ILE C C 13 175.814 0.015 . . . . . . . 158 I CO . 52696 1 635 . 1 . 1 158 158 ILE CA C 13 61.045 0.007 . . . . . . . 158 I CA . 52696 1 636 . 1 . 1 158 158 ILE CB C 13 38.589 0.000 . . . . . . . 158 I CB . 52696 1 637 . 1 . 1 158 158 ILE N N 15 124.447 0.000 . . . . . . . 158 I N . 52696 1 638 . 1 . 1 159 159 VAL H H 1 8.054 0.000 . . . . . . . 159 V HN . 52696 1 639 . 1 . 1 159 159 VAL C C 13 175.560 0.011 . . . . . . . 159 V CO . 52696 1 640 . 1 . 1 159 159 VAL CA C 13 62.018 0.007 . . . . . . . 159 V CA . 52696 1 641 . 1 . 1 159 159 VAL CB C 13 32.898 0.000 . . . . . . . 159 V CB . 52696 1 642 . 1 . 1 159 159 VAL N N 15 126.006 0.000 . . . . . . . 159 V N . 52696 1 643 . 1 . 1 160 160 TYR H H 1 8.313 0.000 . . . . . . . 160 Y HN . 52696 1 644 . 1 . 1 160 160 TYR C C 13 175.117 0.001 . . . . . . . 160 Y CO . 52696 1 645 . 1 . 1 160 160 TYR CA C 13 57.974 0.017 . . . . . . . 160 Y CA . 52696 1 646 . 1 . 1 160 160 TYR CB C 13 38.990 0.027 . . . . . . . 160 Y CB . 52696 1 647 . 1 . 1 160 160 TYR N N 15 126.477 0.000 . . . . . . . 160 Y N . 52696 1 648 . 1 . 1 161 161 LYS H H 1 8.003 0.000 . . . . . . . 161 K HN . 52696 1 649 . 1 . 1 161 161 LYS C C 13 173.555 0.015 . . . . . . . 161 K CO . 52696 1 650 . 1 . 1 161 161 LYS CA C 13 53.604 0.052 . . . . . . . 161 K CA . 52696 1 651 . 1 . 1 161 161 LYS CB C 13 32.960 0.000 . . . . . . . 161 K CB . 52696 1 652 . 1 . 1 161 161 LYS N N 15 126.125 0.000 . . . . . . . 161 K N . 52696 1 653 . 1 . 1 162 162 PRO C C 13 176.915 0.000 . . . . . . . 162 P CO . 52696 1 654 . 1 . 1 162 162 PRO CA C 13 62.846 0.062 . . . . . . . 162 P CA . 52696 1 655 . 1 . 1 162 162 PRO CB C 13 32.204 0.000 . . . . . . . 162 P CB . 52696 1 656 . 1 . 1 162 162 PRO N N 15 136.552 0.000 . . . . . . . 162 P N . 52696 1 657 . 1 . 1 163 163 VAL H H 1 8.038 0.000 . . . . . . . 163 V HN . 52696 1 658 . 1 . 1 163 163 VAL C C 13 175.733 0.022 . . . . . . . 163 V CO . 52696 1 659 . 1 . 1 163 163 VAL CA C 13 62.443 0.014 . . . . . . . 163 V CA . 52696 1 660 . 1 . 1 163 163 VAL CB C 13 32.902 0.043 . . . . . . . 163 V CB . 52696 1 661 . 1 . 1 163 163 VAL N N 15 120.754 0.000 . . . . . . . 163 V N . 52696 1 662 . 1 . 1 164 164 ASP H H 1 8.240 0.000 . . . . . . . 164 D HN . 52696 1 663 . 1 . 1 164 164 ASP C C 13 176.732 0.003 . . . . . . . 164 D CO . 52696 1 664 . 1 . 1 164 164 ASP CA C 13 53.601 0.013 . . . . . . . 164 D CA . 52696 1 665 . 1 . 1 164 164 ASP CB C 13 40.955 0.004 . . . . . . . 164 D CB . 52696 1 666 . 1 . 1 164 164 ASP N N 15 124.449 0.000 . . . . . . . 164 D N . 52696 1 667 . 1 . 1 165 165 LEU H H 1 8.399 0.000 . . . . . . . 165 L HN . 52696 1 668 . 1 . 1 165 165 LEU C C 13 178.130 0.008 . . . . . . . 165 L CO . 52696 1 669 . 1 . 1 165 165 LEU CA C 13 55.581 0.000 . . . . . . . 165 L CA . 52696 1 670 . 1 . 1 165 165 LEU CB C 13 41.656 0.066 . . . . . . . 165 L CB . 52696 1 671 . 1 . 1 165 165 LEU N N 15 125.432 0.000 . . . . . . . 165 L N . 52696 1 672 . 1 . 1 166 166 SER H H 1 8.223 0.000 . . . . . . . 166 S HN . 52696 1 673 . 1 . 1 166 166 SER C C 13 175.001 0.004 . . . . . . . 166 S CO . 52696 1 674 . 1 . 1 166 166 SER CA C 13 59.805 0.021 . . . . . . . 166 S CA . 52696 1 675 . 1 . 1 166 166 SER CB C 13 63.495 0.031 . . . . . . . 166 S CB . 52696 1 676 . 1 . 1 166 166 SER N N 15 116.046 0.000 . . . . . . . 166 S N . 52696 1 677 . 1 . 1 167 167 LYS H H 1 7.746 0.000 . . . . . . . 167 K HN . 52696 1 678 . 1 . 1 167 167 LYS C C 13 176.708 0.008 . . . . . . . 167 K CO . 52696 1 679 . 1 . 1 167 167 LYS CA C 13 56.132 0.017 . . . . . . . 167 K CA . 52696 1 680 . 1 . 1 167 167 LYS CB C 13 32.851 0.008 . . . . . . . 167 K CB . 52696 1 681 . 1 . 1 167 167 LYS N N 15 121.956 0.000 . . . . . . . 167 K N . 52696 1 682 . 1 . 1 168 168 VAL H H 1 7.745 0.000 . . . . . . . 168 V HN . 52696 1 683 . 1 . 1 168 168 VAL C C 13 176.620 0.006 . . . . . . . 168 V CO . 52696 1 684 . 1 . 1 168 168 VAL CA C 13 62.645 0.052 . . . . . . . 168 V CA . 52696 1 685 . 1 . 1 168 168 VAL CB C 13 32.438 0.000 . . . . . . . 168 V CB . 52696 1 686 . 1 . 1 168 168 VAL N N 15 121.105 0.000 . . . . . . . 168 V N . 52696 1 687 . 1 . 1 169 169 THR H H 1 8.091 0.000 . . . . . . . 169 T HN . 52696 1 688 . 1 . 1 169 169 THR C C 13 174.677 0.015 . . . . . . . 169 T CO . 52696 1 689 . 1 . 1 169 169 THR CA C 13 61.873 0.021 . . . . . . . 169 T CA . 52696 1 690 . 1 . 1 169 169 THR CB C 13 69.935 0.000 . . . . . . . 169 T CB . 52696 1 691 . 1 . 1 169 169 THR N N 15 118.231 0.000 . . . . . . . 169 T N . 52696 1 692 . 1 . 1 170 170 SER H H 1 8.157 0.000 . . . . . . . 170 S HN . 52696 1 693 . 1 . 1 170 170 SER C C 13 174.759 0.023 . . . . . . . 170 S CO . 52696 1 694 . 1 . 1 170 170 SER CA C 13 58.447 0.011 . . . . . . . 170 S CA . 52696 1 695 . 1 . 1 170 170 SER CB C 13 63.835 0.035 . . . . . . . 170 S CB . 52696 1 696 . 1 . 1 170 170 SER N N 15 118.379 0.000 . . . . . . . 170 S N . 52696 1 697 . 1 . 1 171 171 LYS H H 1 8.292 0.000 . . . . . . . 171 K HN . 52696 1 698 . 1 . 1 171 171 LYS C C 13 176.786 0.012 . . . . . . . 171 K CO . 52696 1 699 . 1 . 1 171 171 LYS CA C 13 56.543 0.017 . . . . . . . 171 K CA . 52696 1 700 . 1 . 1 171 171 LYS CB C 13 32.819 0.024 . . . . . . . 171 K CB . 52696 1 701 . 1 . 1 171 171 LYS N N 15 123.457 0.000 . . . . . . . 171 K N . 52696 1 702 . 1 . 1 172 172 CYS H H 1 8.182 0.000 . . . . . . . 172 C HN . 52696 1 703 . 1 . 1 172 172 CYS C C 13 175.365 0.006 . . . . . . . 172 C CO . 52696 1 704 . 1 . 1 172 172 CYS CA C 13 58.984 0.027 . . . . . . . 172 C CA . 52696 1 705 . 1 . 1 172 172 CYS CB C 13 28.154 0.004 . . . . . . . 172 C CB . 52696 1 706 . 1 . 1 172 172 CYS N N 15 120.139 0.000 . . . . . . . 172 C N . 52696 1 707 . 1 . 1 173 173 GLY H H 1 8.302 0.000 . . . . . . . 173 G HN . 52696 1 708 . 1 . 1 173 173 GLY C C 13 174.304 0.037 . . . . . . . 173 G CO . 52696 1 709 . 1 . 1 173 173 GLY CA C 13 45.377 0.034 . . . . . . . 173 G CA . 52696 1 710 . 1 . 1 173 173 GLY N N 15 111.630 0.000 . . . . . . . 173 G N . 52696 1 711 . 1 . 1 174 174 SER H H 1 8.098 0.000 . . . . . . . 174 S HN . 52696 1 712 . 1 . 1 174 174 SER C C 13 175.093 0.096 . . . . . . . 174 S CO . 52696 1 713 . 1 . 1 174 174 SER CA C 13 58.580 0.007 . . . . . . . 174 S CA . 52696 1 714 . 1 . 1 174 174 SER CB C 13 63.811 0.059 . . . . . . . 174 S CB . 52696 1 715 . 1 . 1 174 174 SER N N 15 115.866 0.000 . . . . . . . 174 S N . 52696 1 716 . 1 . 1 175 175 LEU H H 1 8.190 0.000 . . . . . . . 175 L HN . 52696 1 717 . 1 . 1 175 175 LEU N N 15 123.671 0.000 . . . . . . . 175 L N . 52696 1 718 . 1 . 1 176 176 GLY H H 1 8.139 0.000 . . . . . . . 176 G HN . 52696 1 719 . 1 . 1 176 176 GLY C C 13 173.866 0.002 . . . . . . . 176 G CO . 52696 1 720 . 1 . 1 176 176 GLY CA C 13 45.178 0.102 . . . . . . . 176 G CA . 52696 1 721 . 1 . 1 176 176 GLY N N 15 108.717 0.000 . . . . . . . 176 G N . 52696 1 722 . 1 . 1 177 177 ASN H H 1 8.066 0.000 . . . . . . . 177 N HN . 52696 1 723 . 1 . 1 177 177 ASN C C 13 175.440 0.010 . . . . . . . 177 N CO . 52696 1 724 . 1 . 1 177 177 ASN CA C 13 53.136 0.014 . . . . . . . 177 N CA . 52696 1 725 . 1 . 1 177 177 ASN N N 15 118.527 0.000 . . . . . . . 177 N N . 52696 1 726 . 1 . 1 178 178 ILE H H 1 7.832 0.000 . . . . . . . 178 I HN . 52696 1 727 . 1 . 1 178 178 ILE C C 13 176.009 0.000 . . . . . . . 178 I CO . 52696 1 728 . 1 . 1 178 178 ILE CA C 13 61.497 0.000 . . . . . . . 178 I CA . 52696 1 729 . 1 . 1 178 178 ILE CB C 13 38.643 0.000 . . . . . . . 178 I CB . 52696 1 730 . 1 . 1 178 178 ILE N N 15 120.507 0.000 . . . . . . . 178 I N . 52696 1 731 . 1 . 1 181 181 LYS C C 13 174.378 0.000 . . . . . . . 181 K CO . 52696 1 732 . 1 . 1 181 181 LYS CA C 13 54.041 0.000 . . . . . . . 181 K CA . 52696 1 733 . 1 . 1 182 182 PRO CA C 13 63.352 0.000 . . . . . . . 182 P CA . 52696 1 734 . 1 . 1 182 182 PRO N N 15 137.406 0.000 . . . . . . . 182 P N . 52696 1 735 . 1 . 1 185 185 GLY C C 13 174.103 0.000 . . . . . . . 185 G CO . 52696 1 736 . 1 . 1 185 185 GLY CA C 13 45.144 0.000 . . . . . . . 185 G CA . 52696 1 737 . 1 . 1 186 186 GLN H H 1 8.094 0.000 . . . . . . . 186 Q HN . 52696 1 738 . 1 . 1 186 186 GLN C C 13 176.060 0.008 . . . . . . . 186 Q CO . 52696 1 739 . 1 . 1 186 186 GLN CA C 13 55.717 0.006 . . . . . . . 186 Q CA . 52696 1 740 . 1 . 1 186 186 GLN CB C 13 29.593 0.024 . . . . . . . 186 Q CB . 52696 1 741 . 1 . 1 186 186 GLN N N 15 119.744 0.000 . . . . . . . 186 Q N . 52696 1 742 . 1 . 1 187 187 VAL H H 1 8.061 0.000 . . . . . . . 187 V HN . 52696 1 743 . 1 . 1 187 187 VAL C C 13 176.068 0.019 . . . . . . . 187 V CO . 52696 1 744 . 1 . 1 187 187 VAL CA C 13 62.360 0.007 . . . . . . . 187 V CA . 52696 1 745 . 1 . 1 187 187 VAL CB C 13 32.836 0.023 . . . . . . . 187 V CB . 52696 1 746 . 1 . 1 187 187 VAL N N 15 121.932 0.000 . . . . . . . 187 V N . 52696 1 747 . 1 . 1 188 188 GLU H H 1 8.348 0.000 . . . . . . . 188 E HN . 52696 1 748 . 1 . 1 188 188 GLU C C 13 176.214 0.006 . . . . . . . 188 E CO . 52696 1 749 . 1 . 1 188 188 GLU CB C 13 30.505 0.055 . . . . . . . 188 E CB . 52696 1 750 . 1 . 1 188 188 GLU N N 15 125.652 0.000 . . . . . . . 188 E N . 52696 1 751 . 1 . 1 189 189 VAL H H 1 8.210 0.000 . . . . . . . 189 V HN . 52696 1 752 . 1 . 1 189 189 VAL C C 13 176.208 0.016 . . . . . . . 189 V CO . 52696 1 753 . 1 . 1 189 189 VAL CA C 13 62.326 0.000 . . . . . . . 189 V CA . 52696 1 754 . 1 . 1 189 189 VAL CB C 13 32.785 0.082 . . . . . . . 189 V CB . 52696 1 755 . 1 . 1 189 189 VAL N N 15 123.666 0.000 . . . . . . . 189 V N . 52696 1 756 . 1 . 1 190 190 LYS H H 1 8.355 0.000 . . . . . . . 190 K HN . 52696 1 757 . 1 . 1 190 190 LYS C C 13 176.554 0.002 . . . . . . . 190 K CO . 52696 1 758 . 1 . 1 190 190 LYS CA C 13 56.214 0.038 . . . . . . . 190 K CA . 52696 1 759 . 1 . 1 190 190 LYS CB C 13 33.113 0.019 . . . . . . . 190 K CB . 52696 1 760 . 1 . 1 190 190 LYS N N 15 126.479 0.000 . . . . . . . 190 K N . 52696 1 761 . 1 . 1 191 191 SER H H 1 8.237 0.000 . . . . . . . 191 S HN . 52696 1 762 . 1 . 1 191 191 SER C C 13 174.626 0.012 . . . . . . . 191 S CO . 52696 1 763 . 1 . 1 191 191 SER CA C 13 58.340 0.035 . . . . . . . 191 S CA . 52696 1 764 . 1 . 1 191 191 SER CB C 13 63.816 0.015 . . . . . . . 191 S CB . 52696 1 765 . 1 . 1 191 191 SER N N 15 117.758 0.000 . . . . . . . 191 S N . 52696 1 766 . 1 . 1 192 192 GLU H H 1 8.364 0.000 . . . . . . . 192 E HN . 52696 1 767 . 1 . 1 192 192 GLU C C 13 176.386 0.006 . . . . . . . 192 E CO . 52696 1 768 . 1 . 1 192 192 GLU CA C 13 56.553 0.007 . . . . . . . 192 E CA . 52696 1 769 . 1 . 1 192 192 GLU CB C 13 30.340 0.054 . . . . . . . 192 E CB . 52696 1 770 . 1 . 1 192 192 GLU N N 15 123.390 0.000 . . . . . . . 192 E N . 52696 1 771 . 1 . 1 193 193 LYS H H 1 8.159 0.000 . . . . . . . 193 K HN . 52696 1 772 . 1 . 1 193 193 LYS C C 13 176.556 0.004 . . . . . . . 193 K CO . 52696 1 773 . 1 . 1 193 193 LYS CA C 13 56.303 0.065 . . . . . . . 193 K CA . 52696 1 774 . 1 . 1 193 193 LYS CB C 13 32.863 0.004 . . . . . . . 193 K CB . 52696 1 775 . 1 . 1 193 193 LYS N N 15 122.334 0.000 . . . . . . . 193 K N . 52696 1 776 . 1 . 1 194 194 LEU H H 1 8.080 0.000 . . . . . . . 194 L HN . 52696 1 777 . 1 . 1 194 194 LEU C C 13 176.923 0.008 . . . . . . . 194 L CO . 52696 1 778 . 1 . 1 194 194 LEU CA C 13 55.081 0.020 . . . . . . . 194 L CA . 52696 1 779 . 1 . 1 194 194 LEU CB C 13 42.373 0.082 . . . . . . . 194 L CB . 52696 1 780 . 1 . 1 194 194 LEU N N 15 123.603 0.000 . . . . . . . 194 L N . 52696 1 781 . 1 . 1 195 195 ASP H H 1 8.139 0.000 . . . . . . . 195 D HN . 52696 1 782 . 1 . 1 195 195 ASP C C 13 176.166 0.011 . . . . . . . 195 D CO . 52696 1 783 . 1 . 1 195 195 ASP CA C 13 54.047 0.013 . . . . . . . 195 D CA . 52696 1 784 . 1 . 1 195 195 ASP CB C 13 41.426 0.031 . . . . . . . 195 D CB . 52696 1 785 . 1 . 1 195 195 ASP N N 15 121.131 0.000 . . . . . . . 195 D N . 52696 1 786 . 1 . 1 196 196 PHE H H 1 8.024 0.000 . . . . . . . 196 F HN . 52696 1 787 . 1 . 1 196 196 PHE C C 13 176.300 0.021 . . . . . . . 196 F CO . 52696 1 788 . 1 . 1 196 196 PHE CA C 13 58.508 0.024 . . . . . . . 196 F CA . 52696 1 789 . 1 . 1 196 196 PHE CB C 13 39.294 0.004 . . . . . . . 196 F CB . 52696 1 790 . 1 . 1 196 196 PHE N N 15 121.126 0.000 . . . . . . . 196 F N . 52696 1 791 . 1 . 1 197 197 LYS H H 1 8.023 0.000 . . . . . . . 197 K HN . 52696 1 792 . 1 . 1 197 197 LYS C C 13 176.361 0.007 . . . . . . . 197 K CO . 52696 1 793 . 1 . 1 197 197 LYS CA C 13 56.971 0.007 . . . . . . . 197 K CA . 52696 1 794 . 1 . 1 197 197 LYS CB C 13 32.820 0.016 . . . . . . . 197 K CB . 52696 1 795 . 1 . 1 197 197 LYS N N 15 121.910 0.000 . . . . . . . 197 K N . 52696 1 796 . 1 . 1 198 198 ASP H H 1 7.954 0.000 . . . . . . . 198 D HN . 52696 1 797 . 1 . 1 198 198 ASP C C 13 176.212 0.004 . . . . . . . 198 D CO . 52696 1 798 . 1 . 1 198 198 ASP CA C 13 54.581 0.007 . . . . . . . 198 D CA . 52696 1 799 . 1 . 1 198 198 ASP CB C 13 41.064 0.059 . . . . . . . 198 D CB . 52696 1 800 . 1 . 1 198 198 ASP N N 15 120.044 0.000 . . . . . . . 198 D N . 52696 1 801 . 1 . 1 199 199 ARG H H 1 7.839 0.000 . . . . . . . 199 R HN . 52696 1 802 . 1 . 1 199 199 ARG C C 13 176.531 0.001 . . . . . . . 199 R CO . 52696 1 803 . 1 . 1 199 199 ARG CA C 13 56.403 0.020 . . . . . . . 199 R CA . 52696 1 804 . 1 . 1 199 199 ARG CB C 13 30.785 0.000 . . . . . . . 199 R CB . 52696 1 805 . 1 . 1 199 199 ARG N N 15 120.849 0.000 . . . . . . . 199 R N . 52696 1 806 . 1 . 1 200 200 VAL H H 1 8.008 0.000 . . . . . . . 200 V HN . 52696 1 807 . 1 . 1 200 200 VAL C C 13 176.517 0.008 . . . . . . . 200 V CO . 52696 1 808 . 1 . 1 200 200 VAL CA C 13 62.849 0.004 . . . . . . . 200 V CA . 52696 1 809 . 1 . 1 200 200 VAL CB C 13 32.617 0.000 . . . . . . . 200 V CB . 52696 1 810 . 1 . 1 200 200 VAL N N 15 121.790 0.000 . . . . . . . 200 V N . 52696 1 811 . 1 . 1 201 201 GLN H H 1 8.337 0.000 . . . . . . . 201 Q HN . 52696 1 812 . 1 . 1 201 201 GLN C C 13 176.154 0.007 . . . . . . . 201 Q CO . 52696 1 813 . 1 . 1 201 201 GLN CA C 13 55.937 0.000 . . . . . . . 201 Q CA . 52696 1 814 . 1 . 1 201 201 GLN CB C 13 29.467 0.094 . . . . . . . 201 Q CB . 52696 1 815 . 1 . 1 201 201 GLN N N 15 124.420 0.000 . . . . . . . 201 Q N . 52696 1 816 . 1 . 1 202 202 SER H H 1 8.198 0.000 . . . . . . . 202 S HN . 52696 1 817 . 1 . 1 202 202 SER C C 13 174.588 0.034 . . . . . . . 202 S CO . 52696 1 818 . 1 . 1 202 202 SER CA C 13 58.587 0.007 . . . . . . . 202 S CA . 52696 1 819 . 1 . 1 202 202 SER CB C 13 63.764 0.004 . . . . . . . 202 S CB . 52696 1 820 . 1 . 1 202 202 SER N N 15 117.614 0.000 . . . . . . . 202 S N . 52696 1 821 . 1 . 1 203 203 LYS H H 1 8.219 0.000 . . . . . . . 203 K HN . 52696 1 822 . 1 . 1 203 203 LYS C C 13 176.779 0.003 . . . . . . . 203 K CO . 52696 1 823 . 1 . 1 203 203 LYS CA C 13 56.405 0.037 . . . . . . . 203 K CA . 52696 1 824 . 1 . 1 203 203 LYS CB C 13 32.928 0.054 . . . . . . . 203 K CB . 52696 1 825 . 1 . 1 203 203 LYS N N 15 123.379 0.000 . . . . . . . 203 K N . 52696 1 826 . 1 . 1 204 204 ILE H H 1 7.994 0.000 . . . . . . . 204 I HN . 52696 1 827 . 1 . 1 204 204 ILE C C 13 176.992 0.006 . . . . . . . 204 I CO . 52696 1 828 . 1 . 1 204 204 ILE CA C 13 61.624 0.024 . . . . . . . 204 I CA . 52696 1 829 . 1 . 1 204 204 ILE CB C 13 38.409 0.016 . . . . . . . 204 I CB . 52696 1 830 . 1 . 1 204 204 ILE N N 15 122.346 0.000 . . . . . . . 204 I N . 52696 1 831 . 1 . 1 205 205 GLY H H 1 8.386 0.000 . . . . . . . 205 G HN . 52696 1 832 . 1 . 1 205 205 GLY C C 13 174.245 0.014 . . . . . . . 205 G CO . 52696 1 833 . 1 . 1 205 205 GLY CA C 13 45.233 0.014 . . . . . . . 205 G CA . 52696 1 834 . 1 . 1 205 205 GLY N N 15 113.516 0.000 . . . . . . . 205 G N . 52696 1 835 . 1 . 1 206 206 SER H H 1 7.986 0.000 . . . . . . . 206 S HN . 52696 1 836 . 1 . 1 206 206 SER N N 15 115.444 0.000 . . . . . . . 206 S N . 52696 1 837 . 1 . 1 207 207 LEU H H 1 8.248 0.000 . . . . . . . 207 L HN . 52696 1 838 . 1 . 1 207 207 LEU C C 13 177.367 0.009 . . . . . . . 207 L CO . 52696 1 839 . 1 . 1 207 207 LEU CA C 13 55.296 0.004 . . . . . . . 207 L CA . 52696 1 840 . 1 . 1 207 207 LEU CB C 13 41.987 0.000 . . . . . . . 207 L CB . 52696 1 841 . 1 . 1 207 207 LEU N N 15 123.876 0.000 . . . . . . . 207 L N . 52696 1 842 . 1 . 1 208 208 ASP H H 1 7.992 0.000 . . . . . . . 208 D HN . 52696 1 843 . 1 . 1 208 208 ASP C C 13 175.976 0.017 . . . . . . . 208 D CO . 52696 1 844 . 1 . 1 208 208 ASP CA C 13 54.546 0.007 . . . . . . . 208 D CA . 52696 1 845 . 1 . 1 208 208 ASP CB C 13 41.025 0.051 . . . . . . . 208 D CB . 52696 1 846 . 1 . 1 208 208 ASP N N 15 120.226 0.000 . . . . . . . 208 D N . 52696 1 847 . 1 . 1 209 209 ASN H H 1 8.083 0.000 . . . . . . . 209 N HN . 52696 1 848 . 1 . 1 209 209 ASN C C 13 175.173 0.004 . . . . . . . 209 N CO . 52696 1 849 . 1 . 1 209 209 ASN CA C 13 53.307 0.007 . . . . . . . 209 N CA . 52696 1 850 . 1 . 1 209 209 ASN CB C 13 38.795 0.020 . . . . . . . 209 N CB . 52696 1 851 . 1 . 1 209 209 ASN N N 15 118.450 0.000 . . . . . . . 209 N N . 52696 1 852 . 1 . 1 210 210 ILE H H 1 7.867 0.000 . . . . . . . 210 I HN . 52696 1 853 . 1 . 1 210 210 ILE C C 13 176.501 0.000 . . . . . . . 210 I CO . 52696 1 854 . 1 . 1 210 210 ILE CA C 13 61.333 0.000 . . . . . . . 210 I CA . 52696 1 855 . 1 . 1 210 210 ILE CB C 13 38.269 0.000 . . . . . . . 210 I CB . 52696 1 856 . 1 . 1 210 210 ILE N N 15 120.696 0.000 . . . . . . . 210 I N . 52696 1 857 . 1 . 1 211 211 THR C C 13 175.001 0.000 . . . . . . . 211 T CO . 52696 1 858 . 1 . 1 211 211 THR CA C 13 62.230 0.000 . . . . . . . 211 T CA . 52696 1 859 . 1 . 1 212 212 HIS H H 1 8.191 0.000 . . . . . . . 212 H HN . 52696 1 860 . 1 . 1 212 212 HIS CA C 13 56.560 0.466 . . . . . . . 212 H CA . 52696 1 861 . 1 . 1 212 212 HIS CB C 13 30.746 0.000 . . . . . . . 212 H CB . 52696 1 862 . 1 . 1 212 212 HIS N N 15 123.072 0.000 . . . . . . . 212 H N . 52696 1 863 . 1 . 1 213 213 VAL H H 1 8.006 0.000 . . . . . . . 213 V HN . 52696 1 864 . 1 . 1 213 213 VAL C C 13 174.282 0.073 . . . . . . . 213 V CO . 52696 1 865 . 1 . 1 213 213 VAL CA C 13 59.715 0.118 . . . . . . . 213 V CA . 52696 1 866 . 1 . 1 213 213 VAL CB C 13 32.757 0.000 . . . . . . . 213 V CB . 52696 1 867 . 1 . 1 213 213 VAL N N 15 124.455 0.000 . . . . . . . 213 V N . 52696 1 868 . 1 . 1 214 214 PRO CA C 13 63.391 0.000 . . . . . . . 214 P CA . 52696 1 869 . 1 . 1 214 214 PRO N N 15 139.530 0.000 . . . . . . . 214 P N . 52696 1 870 . 1 . 1 217 217 GLY C C 13 174.013 0.000 . . . . . . . 217 G CO . 52696 1 871 . 1 . 1 217 217 GLY CA C 13 45.192 0.000 . . . . . . . 217 G CA . 52696 1 872 . 1 . 1 218 218 ASN H H 1 8.177 0.000 . . . . . . . 218 N HN . 52696 1 873 . 1 . 1 218 218 ASN C C 13 175.353 0.004 . . . . . . . 218 N CO . 52696 1 874 . 1 . 1 218 218 ASN CA C 13 53.215 0.024 . . . . . . . 218 N CA . 52696 1 875 . 1 . 1 218 218 ASN CB C 13 38.940 0.008 . . . . . . . 218 N CB . 52696 1 876 . 1 . 1 218 218 ASN N N 15 118.374 0.000 . . . . . . . 218 N N . 52696 1 877 . 1 . 1 219 219 LYS H H 1 8.125 0.000 . . . . . . . 219 K HN . 52696 1 878 . 1 . 1 219 219 LYS C C 13 176.536 0.008 . . . . . . . 219 K CO . 52696 1 879 . 1 . 1 219 219 LYS CA C 13 56.405 0.004 . . . . . . . 219 K CA . 52696 1 880 . 1 . 1 219 219 LYS CB C 13 33.010 0.011 . . . . . . . 219 K CB . 52696 1 881 . 1 . 1 219 219 LYS N N 15 121.828 0.000 . . . . . . . 219 K N . 52696 1 882 . 1 . 1 220 220 LYS H H 1 8.181 0.000 . . . . . . . 220 K HN . 52696 1 883 . 1 . 1 220 220 LYS C C 13 176.550 0.006 . . . . . . . 220 K CO . 52696 1 884 . 1 . 1 220 220 LYS CA C 13 56.396 0.006 . . . . . . . 220 K CA . 52696 1 885 . 1 . 1 220 220 LYS CB C 13 33.007 0.109 . . . . . . . 220 K CB . 52696 1 886 . 1 . 1 220 220 LYS N N 15 123.267 0.000 . . . . . . . 220 K N . 52696 1 887 . 1 . 1 221 221 ILE H H 1 8.069 0.000 . . . . . . . 221 I HN . 52696 1 888 . 1 . 1 221 221 ILE C C 13 176.336 0.009 . . . . . . . 221 I CO . 52696 1 889 . 1 . 1 221 221 ILE CA C 13 61.066 0.014 . . . . . . . 221 I CA . 52696 1 890 . 1 . 1 221 221 ILE CB C 13 38.507 0.004 . . . . . . . 221 I CB . 52696 1 891 . 1 . 1 221 221 ILE N N 15 123.401 0.000 . . . . . . . 221 I N . 52696 1 892 . 1 . 1 222 222 GLU H H 1 8.383 0.000 . . . . . . . 222 E HN . 52696 1 893 . 1 . 1 222 222 GLU C C 13 176.622 0.008 . . . . . . . 222 E CO . 52696 1 894 . 1 . 1 222 222 GLU CA C 13 56.299 0.020 . . . . . . . 222 E CA . 52696 1 895 . 1 . 1 222 222 GLU CB C 13 30.489 0.047 . . . . . . . 222 E CB . 52696 1 896 . 1 . 1 222 222 GLU N N 15 125.964 0.000 . . . . . . . 222 E N . 52696 1 897 . 1 . 1 223 223 THR H H 1 8.085 0.000 . . . . . . . 223 T HN . 52696 1 898 . 1 . 1 223 223 THR C C 13 174.582 0.017 . . . . . . . 223 T CO . 52696 1 899 . 1 . 1 223 223 THR CA C 13 62.285 0.007 . . . . . . . 223 T CA . 52696 1 900 . 1 . 1 223 223 THR CB C 13 69.787 0.000 . . . . . . . 223 T CB . 52696 1 901 . 1 . 1 223 223 THR N N 15 115.867 0.000 . . . . . . . 223 T N . 52696 1 902 . 1 . 1 224 224 HIS H H 1 8.211 0.000 . . . . . . . 224 H HN . 52696 1 903 . 1 . 1 224 224 HIS C C 13 175.233 0.002 . . . . . . . 224 H CO . 52696 1 904 . 1 . 1 224 224 HIS CA C 13 56.413 0.011 . . . . . . . 224 H CA . 52696 1 905 . 1 . 1 224 224 HIS CB C 13 30.551 0.031 . . . . . . . 224 H CB . 52696 1 906 . 1 . 1 224 224 HIS N N 15 121.708 0.000 . . . . . . . 224 H N . 52696 1 907 . 1 . 1 225 225 LYS H H 1 8.069 0.000 . . . . . . . 225 K HN . 52696 1 908 . 1 . 1 225 225 LYS C C 13 176.588 0.003 . . . . . . . 225 K CO . 52696 1 909 . 1 . 1 225 225 LYS CA C 13 56.478 0.000 . . . . . . . 225 K CA . 52696 1 910 . 1 . 1 225 225 LYS CB C 13 32.894 0.027 . . . . . . . 225 K CB . 52696 1 911 . 1 . 1 225 225 LYS N N 15 122.584 0.000 . . . . . . . 225 K N . 52696 1 912 . 1 . 1 226 226 LEU H H 1 8.147 0.000 . . . . . . . 226 L HN . 52696 1 913 . 1 . 1 226 226 LEU C C 13 177.582 0.009 . . . . . . . 226 L CO . 52696 1 914 . 1 . 1 226 226 LEU CA C 13 55.320 0.000 . . . . . . . 226 L CA . 52696 1 915 . 1 . 1 226 226 LEU CB C 13 42.291 0.024 . . . . . . . 226 L CB . 52696 1 916 . 1 . 1 226 226 LEU N N 15 123.339 0.000 . . . . . . . 226 L N . 52696 1 917 . 1 . 1 227 227 THR H H 1 7.893 0.000 . . . . . . . 227 T HN . 52696 1 918 . 1 . 1 227 227 THR C C 13 174.227 0.004 . . . . . . . 227 T CO . 52696 1 919 . 1 . 1 227 227 THR CA C 13 61.816 0.024 . . . . . . . 227 T CA . 52696 1 920 . 1 . 1 227 227 THR CB C 13 69.974 0.062 . . . . . . . 227 T CB . 52696 1 921 . 1 . 1 227 227 THR N N 15 114.713 0.000 . . . . . . . 227 T N . 52696 1 922 . 1 . 1 228 228 PHE H H 1 8.118 0.000 . . . . . . . 228 F HN . 52696 1 923 . 1 . 1 228 228 PHE C C 13 175.690 0.015 . . . . . . . 228 F CO . 52696 1 924 . 1 . 1 228 228 PHE CA C 13 58.258 0.014 . . . . . . . 228 F CA . 52696 1 925 . 1 . 1 228 228 PHE CB C 13 39.579 0.110 . . . . . . . 228 F CB . 52696 1 926 . 1 . 1 228 228 PHE N N 15 122.714 0.000 . . . . . . . 228 F N . 52696 1 927 . 1 . 1 229 229 ARG H H 1 7.987 0.000 . . . . . . . 229 R HN . 52696 1 928 . 1 . 1 229 229 ARG C C 13 176.107 0.000 . . . . . . . 229 R CO . 52696 1 929 . 1 . 1 229 229 ARG CA C 13 56.029 0.031 . . . . . . . 229 R CA . 52696 1 930 . 1 . 1 229 229 ARG CB C 13 31.008 0.058 . . . . . . . 229 R CB . 52696 1 931 . 1 . 1 229 229 ARG N N 15 123.111 0.000 . . . . . . . 229 R N . 52696 1 932 . 1 . 1 230 230 GLU H H 1 8.190 0.000 . . . . . . . 230 E HN . 52696 1 933 . 1 . 1 230 230 GLU C C 13 176.441 0.110 . . . . . . . 230 E CO . 52696 1 934 . 1 . 1 230 230 GLU CA C 13 56.947 0.010 . . . . . . . 230 E CA . 52696 1 935 . 1 . 1 230 230 GLU CB C 13 30.271 0.000 . . . . . . . 230 E CB . 52696 1 936 . 1 . 1 230 230 GLU N N 15 122.024 0.000 . . . . . . . 230 E N . 52696 1 937 . 1 . 1 231 231 ASN H H 1 8.304 0.000 . . . . . . . 231 N HN . 52696 1 938 . 1 . 1 231 231 ASN C C 13 175.234 0.004 . . . . . . . 231 N CO . 52696 1 939 . 1 . 1 231 231 ASN CA C 13 53.389 0.027 . . . . . . . 231 N CA . 52696 1 940 . 1 . 1 231 231 ASN CB C 13 38.744 0.000 . . . . . . . 231 N CB . 52696 1 941 . 1 . 1 231 231 ASN N N 15 119.625 0.000 . . . . . . . 231 N N . 52696 1 942 . 1 . 1 232 232 ALA H H 1 8.044 0.000 . . . . . . . 232 A HN . 52696 1 943 . 1 . 1 232 232 ALA N N 15 124.192 0.000 . . . . . . . 232 A N . 52696 1 944 . 1 . 1 233 233 LYS H H 1 8.008 0.000 . . . . . . . 233 K HN . 52696 1 945 . 1 . 1 233 233 LYS C C 13 176.550 0.018 . . . . . . . 233 K CO . 52696 1 946 . 1 . 1 233 233 LYS CA C 13 56.348 0.000 . . . . . . . 233 K CA . 52696 1 947 . 1 . 1 233 233 LYS CB C 13 32.921 0.000 . . . . . . . 233 K CB . 52696 1 948 . 1 . 1 233 233 LYS N N 15 120.240 0.000 . . . . . . . 233 K N . 52696 1 949 . 1 . 1 234 234 ALA H H 1 8.039 0.000 . . . . . . . 234 A HN . 52696 1 950 . 1 . 1 234 234 ALA C C 13 177.933 0.002 . . . . . . . 234 A CO . 52696 1 951 . 1 . 1 234 234 ALA CA C 13 52.578 0.017 . . . . . . . 234 A CA . 52696 1 952 . 1 . 1 234 234 ALA CB C 13 19.224 0.015 . . . . . . . 234 A CB . 52696 1 953 . 1 . 1 234 234 ALA N N 15 125.033 0.000 . . . . . . . 234 A N . 52696 1 954 . 1 . 1 235 235 LYS H H 1 8.166 0.000 . . . . . . . 235 K HN . 52696 1 955 . 1 . 1 235 235 LYS C C 13 177.009 0.000 . . . . . . . 235 K CO . 52696 1 956 . 1 . 1 235 235 LYS CA C 13 56.535 0.004 . . . . . . . 235 K CA . 52696 1 957 . 1 . 1 235 235 LYS N N 15 120.936 0.000 . . . . . . . 235 K N . 52696 1 958 . 1 . 1 236 236 THR H H 1 7.984 0.000 . . . . . . . 236 T HN . 52696 1 959 . 1 . 1 236 236 THR C C 13 174.226 0.010 . . . . . . . 236 T CO . 52696 1 960 . 1 . 1 236 236 THR CA C 13 61.761 0.024 . . . . . . . 236 T CA . 52696 1 961 . 1 . 1 236 236 THR CB C 13 69.934 0.016 . . . . . . . 236 T CB . 52696 1 962 . 1 . 1 236 236 THR N N 15 114.898 0.000 . . . . . . . 236 T N . 52696 1 963 . 1 . 1 237 237 ASP H H 1 8.132 0.000 . . . . . . . 237 D HN . 52696 1 964 . 1 . 1 237 237 ASP C C 13 176.147 0.014 . . . . . . . 237 D CO . 52696 1 965 . 1 . 1 237 237 ASP CA C 13 54.190 0.013 . . . . . . . 237 D CA . 52696 1 966 . 1 . 1 237 237 ASP CB C 13 41.017 0.027 . . . . . . . 237 D CB . 52696 1 967 . 1 . 1 237 237 ASP N N 15 122.714 0.000 . . . . . . . 237 D N . 52696 1 968 . 1 . 1 238 238 HIS H H 1 8.191 0.000 . . . . . . . 238 H HN . 52696 1 969 . 1 . 1 238 238 HIS C C 13 175.831 0.010 . . . . . . . 238 H CO . 52696 1 970 . 1 . 1 238 238 HIS CA C 13 56.300 0.035 . . . . . . . 238 H CA . 52696 1 971 . 1 . 1 238 238 HIS CB C 13 29.854 0.027 . . . . . . . 238 H CB . 52696 1 972 . 1 . 1 238 238 HIS N N 15 119.928 0.000 . . . . . . . 238 H N . 52696 1 973 . 1 . 1 239 239 GLY H H 1 8.259 0.000 . . . . . . . 239 G HN . 52696 1 974 . 1 . 1 239 239 GLY C C 13 173.769 0.001 . . . . . . . 239 G CO . 52696 1 975 . 1 . 1 239 239 GLY CA C 13 45.363 0.007 . . . . . . . 239 G CA . 52696 1 976 . 1 . 1 239 239 GLY N N 15 110.050 0.000 . . . . . . . 239 G N . 52696 1 977 . 1 . 1 240 240 ALA H H 1 7.970 0.000 . . . . . . . 240 A HN . 52696 1 978 . 1 . 1 240 240 ALA C C 13 177.032 0.012 . . . . . . . 240 A CO . 52696 1 979 . 1 . 1 240 240 ALA CA C 13 52.365 0.011 . . . . . . . 240 A CA . 52696 1 980 . 1 . 1 240 240 ALA CB C 13 19.544 0.015 . . . . . . . 240 A CB . 52696 1 981 . 1 . 1 240 240 ALA N N 15 124.055 0.000 . . . . . . . 240 A N . 52696 1 982 . 1 . 1 241 241 GLU H H 1 7.835 0.000 . . . . . . . 241 E HN . 52696 1 983 . 1 . 1 241 241 GLU C C 13 173.442 0.000 . . . . . . . 241 E CO . 52696 1 984 . 1 . 1 241 241 GLU CA C 13 58.183 0.000 . . . . . . . 241 E CA . 52696 1 985 . 1 . 1 241 241 GLU CB C 13 31.050 0.000 . . . . . . . 241 E CB . 52696 1 986 . 1 . 1 241 241 GLU N N 15 125.246 0.000 . . . . . . . 241 E N . 52696 1 stop_ save_