data_26962 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26962 _Entry.Title ; Backbone resonance assignment of insect arylalkylamine N-acetyltransferase from bombyx mori reveals conformational heterogeneity ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-11-29 _Entry.Accession_date 2016-11-29 _Entry.Last_release_date 2016-11-30 _Entry.Original_release_date 2016-11-30 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Assignment of insect arylalkylamine N-acetyltransferase from bombyx mori reveals conformational heterogeneity.' _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 Adam Aboalroub . A. . . 26962 2 Ziming Zhang . . . . 26962 3 Dimitra Keramisanou . . . . 26962 4 Ioannis Gelis . . . . 26962 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26962 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 601 26962 '15N chemical shifts' 197 26962 '1H chemical shifts' 197 26962 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2017-03-14 2016-11-29 update BMRB 'update entry citation' 26962 1 . . 2017-03-02 2016-11-29 original author 'original release' 26962 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26962 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 28236225 _Citation.Full_citation . _Citation.Title ; Backbone resonance assignment of an insect arylalkylamine N-acetyltransferase from Bombyx mori reveals conformational heterogeneity ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 11 _Citation.Journal_issue 1 _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 105 _Citation.Page_last 109 _Citation.Year 2017 _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 Adam Aboalroub . A. . . 26962 1 2 ziming Zhang . . . . 26962 1 3 Dimitra Keramisanou . . . . 26962 1 4 Ioannis Gelis . . . . 26962 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Backbone resonance assignment' 26962 1 'arylalkylamine N-acetyltransferase' 26962 1 'bombyx mori' 26962 1 insect 26962 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26962 _Assembly.ID 1 _Assembly.Name bmAANAT3 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 bmAANAT3 1 $bmAANAT3 A . yes native no no . 'Arylalkylamine N-acetyltransferases' . 26962 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'catalyze the transfer of acetyl group from the acetyl-group donor, acetyl-CoA, to an arylalkylamine acceptor' 26962 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_bmAANAT3 _Entity.Sf_category entity _Entity.Sf_framecode bmAANAT3 _Entity.Entry_ID 26962 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name bmAANAT3 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(D) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHMADFVVVMPSMKDAVIQ HLRDSFFADEPLNKAVGLCE RGQPHAALERLCLATMTDGL SIAAMDGDKVLGVALNGILR HGDIEQSIEKIKQSTDEKFN KIFNILYTVSRDLNLFNTFE VDLIMECRIISVHENARGRG LAKELMKRSIDLARDNEFKL FKVDATGAFSQRICRSLSLE ELKSVRYDEYCDESGTPIFR VPPPDHALCVMILKLP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'The three amino acids GSH remain after thrombin cleavage.' _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 216 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _Entity.Src_method . _Entity.Parent_entity_ID . _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 -2 GLY . 26962 1 2 -1 SER . 26962 1 3 0 HIS . 26962 1 4 1 MET . 26962 1 5 2 ALA . 26962 1 6 3 ASP . 26962 1 7 4 PHE . 26962 1 8 5 VAL . 26962 1 9 6 VAL . 26962 1 10 7 VAL . 26962 1 11 8 MET . 26962 1 12 9 PRO . 26962 1 13 10 SER . 26962 1 14 11 MET . 26962 1 15 12 LYS . 26962 1 16 13 ASP . 26962 1 17 14 ALA . 26962 1 18 15 VAL . 26962 1 19 16 ILE . 26962 1 20 17 GLN . 26962 1 21 18 HIS . 26962 1 22 19 LEU . 26962 1 23 20 ARG . 26962 1 24 21 ASP . 26962 1 25 22 SER . 26962 1 26 23 PHE . 26962 1 27 24 PHE . 26962 1 28 25 ALA . 26962 1 29 26 ASP . 26962 1 30 27 GLU . 26962 1 31 28 PRO . 26962 1 32 29 LEU . 26962 1 33 30 ASN . 26962 1 34 31 LYS . 26962 1 35 32 ALA . 26962 1 36 33 VAL . 26962 1 37 34 GLY . 26962 1 38 35 LEU . 26962 1 39 36 CYS . 26962 1 40 37 GLU . 26962 1 41 38 ARG . 26962 1 42 39 GLY . 26962 1 43 40 GLN . 26962 1 44 41 PRO . 26962 1 45 42 HIS . 26962 1 46 43 ALA . 26962 1 47 44 ALA . 26962 1 48 45 LEU . 26962 1 49 46 GLU . 26962 1 50 47 ARG . 26962 1 51 48 LEU . 26962 1 52 49 CYS . 26962 1 53 50 LEU . 26962 1 54 51 ALA . 26962 1 55 52 THR . 26962 1 56 53 MET . 26962 1 57 54 THR . 26962 1 58 55 ASP . 26962 1 59 56 GLY . 26962 1 60 57 LEU . 26962 1 61 58 SER . 26962 1 62 59 ILE . 26962 1 63 60 ALA . 26962 1 64 61 ALA . 26962 1 65 62 MET . 26962 1 66 63 ASP . 26962 1 67 64 GLY . 26962 1 68 65 ASP . 26962 1 69 66 LYS . 26962 1 70 67 VAL . 26962 1 71 68 LEU . 26962 1 72 69 GLY . 26962 1 73 70 VAL . 26962 1 74 71 ALA . 26962 1 75 72 LEU . 26962 1 76 73 ASN . 26962 1 77 74 GLY . 26962 1 78 75 ILE . 26962 1 79 76 LEU . 26962 1 80 77 ARG . 26962 1 81 78 HIS . 26962 1 82 79 GLY . 26962 1 83 80 ASP . 26962 1 84 81 ILE . 26962 1 85 82 GLU . 26962 1 86 83 GLN . 26962 1 87 84 SER . 26962 1 88 85 ILE . 26962 1 89 86 GLU . 26962 1 90 87 LYS . 26962 1 91 88 ILE . 26962 1 92 89 LYS . 26962 1 93 90 GLN . 26962 1 94 91 SER . 26962 1 95 92 THR . 26962 1 96 93 ASP . 26962 1 97 94 GLU . 26962 1 98 95 LYS . 26962 1 99 96 PHE . 26962 1 100 97 ASN . 26962 1 101 98 LYS . 26962 1 102 99 ILE . 26962 1 103 100 PHE . 26962 1 104 101 ASN . 26962 1 105 102 ILE . 26962 1 106 103 LEU . 26962 1 107 104 TYR . 26962 1 108 105 THR . 26962 1 109 106 VAL . 26962 1 110 107 SER . 26962 1 111 108 ARG . 26962 1 112 109 ASP . 26962 1 113 110 LEU . 26962 1 114 111 ASN . 26962 1 115 112 LEU . 26962 1 116 113 PHE . 26962 1 117 114 ASN . 26962 1 118 115 THR . 26962 1 119 116 PHE . 26962 1 120 117 GLU . 26962 1 121 118 VAL . 26962 1 122 119 ASP . 26962 1 123 120 LEU . 26962 1 124 121 ILE . 26962 1 125 122 MET . 26962 1 126 123 GLU . 26962 1 127 124 CYS . 26962 1 128 125 ARG . 26962 1 129 126 ILE . 26962 1 130 127 ILE . 26962 1 131 128 SER . 26962 1 132 129 VAL . 26962 1 133 130 HIS . 26962 1 134 131 GLU . 26962 1 135 132 ASN . 26962 1 136 133 ALA . 26962 1 137 134 ARG . 26962 1 138 135 GLY . 26962 1 139 136 ARG . 26962 1 140 137 GLY . 26962 1 141 138 LEU . 26962 1 142 139 ALA . 26962 1 143 140 LYS . 26962 1 144 141 GLU . 26962 1 145 142 LEU . 26962 1 146 143 MET . 26962 1 147 144 LYS . 26962 1 148 145 ARG . 26962 1 149 146 SER . 26962 1 150 147 ILE . 26962 1 151 148 ASP . 26962 1 152 149 LEU . 26962 1 153 150 ALA . 26962 1 154 151 ARG . 26962 1 155 152 ASP . 26962 1 156 153 ASN . 26962 1 157 154 GLU . 26962 1 158 155 PHE . 26962 1 159 156 LYS . 26962 1 160 157 LEU . 26962 1 161 158 PHE . 26962 1 162 159 LYS . 26962 1 163 160 VAL . 26962 1 164 161 ASP . 26962 1 165 162 ALA . 26962 1 166 163 THR . 26962 1 167 164 GLY . 26962 1 168 165 ALA . 26962 1 169 166 PHE . 26962 1 170 167 SER . 26962 1 171 168 GLN . 26962 1 172 169 ARG . 26962 1 173 170 ILE . 26962 1 174 171 CYS . 26962 1 175 172 ARG . 26962 1 176 173 SER . 26962 1 177 174 LEU . 26962 1 178 175 SER . 26962 1 179 176 LEU . 26962 1 180 177 GLU . 26962 1 181 178 GLU . 26962 1 182 179 LEU . 26962 1 183 180 LYS . 26962 1 184 181 SER . 26962 1 185 182 VAL . 26962 1 186 183 ARG . 26962 1 187 184 TYR . 26962 1 188 185 ASP . 26962 1 189 186 GLU . 26962 1 190 187 TYR . 26962 1 191 188 CYS . 26962 1 192 189 ASP . 26962 1 193 190 GLU . 26962 1 194 191 SER . 26962 1 195 192 GLY . 26962 1 196 193 THR . 26962 1 197 194 PRO . 26962 1 198 195 ILE . 26962 1 199 196 PHE . 26962 1 200 197 ARG . 26962 1 201 198 VAL . 26962 1 202 199 PRO . 26962 1 203 200 PRO . 26962 1 204 201 PRO . 26962 1 205 202 ASP . 26962 1 206 203 HIS . 26962 1 207 204 ALA . 26962 1 208 205 LEU . 26962 1 209 206 CYS . 26962 1 210 207 VAL . 26962 1 211 208 MET . 26962 1 212 209 ILE . 26962 1 213 210 LEU . 26962 1 214 211 LYS . 26962 1 215 212 LEU . 26962 1 216 213 PRO . 26962 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 . GLY 1 1 26962 1 . SER 2 2 26962 1 . HIS 3 3 26962 1 . MET 4 4 26962 1 . ALA 5 5 26962 1 . ASP 6 6 26962 1 . PHE 7 7 26962 1 . VAL 8 8 26962 1 . VAL 9 9 26962 1 . VAL 10 10 26962 1 . MET 11 11 26962 1 . PRO 12 12 26962 1 . SER 13 13 26962 1 . MET 14 14 26962 1 . LYS 15 15 26962 1 . ASP 16 16 26962 1 . ALA 17 17 26962 1 . VAL 18 18 26962 1 . ILE 19 19 26962 1 . GLN 20 20 26962 1 . HIS 21 21 26962 1 . LEU 22 22 26962 1 . ARG 23 23 26962 1 . ASP 24 24 26962 1 . SER 25 25 26962 1 . PHE 26 26 26962 1 . PHE 27 27 26962 1 . ALA 28 28 26962 1 . ASP 29 29 26962 1 . GLU 30 30 26962 1 . PRO 31 31 26962 1 . LEU 32 32 26962 1 . ASN 33 33 26962 1 . LYS 34 34 26962 1 . ALA 35 35 26962 1 . VAL 36 36 26962 1 . GLY 37 37 26962 1 . LEU 38 38 26962 1 . CYS 39 39 26962 1 . GLU 40 40 26962 1 . ARG 41 41 26962 1 . GLY 42 42 26962 1 . GLN 43 43 26962 1 . PRO 44 44 26962 1 . HIS 45 45 26962 1 . ALA 46 46 26962 1 . ALA 47 47 26962 1 . LEU 48 48 26962 1 . GLU 49 49 26962 1 . ARG 50 50 26962 1 . LEU 51 51 26962 1 . CYS 52 52 26962 1 . LEU 53 53 26962 1 . ALA 54 54 26962 1 . THR 55 55 26962 1 . MET 56 56 26962 1 . THR 57 57 26962 1 . ASP 58 58 26962 1 . GLY 59 59 26962 1 . LEU 60 60 26962 1 . SER 61 61 26962 1 . ILE 62 62 26962 1 . ALA 63 63 26962 1 . ALA 64 64 26962 1 . MET 65 65 26962 1 . ASP 66 66 26962 1 . GLY 67 67 26962 1 . ASP 68 68 26962 1 . LYS 69 69 26962 1 . VAL 70 70 26962 1 . LEU 71 71 26962 1 . GLY 72 72 26962 1 . VAL 73 73 26962 1 . ALA 74 74 26962 1 . LEU 75 75 26962 1 . ASN 76 76 26962 1 . GLY 77 77 26962 1 . ILE 78 78 26962 1 . LEU 79 79 26962 1 . ARG 80 80 26962 1 . HIS 81 81 26962 1 . GLY 82 82 26962 1 . ASP 83 83 26962 1 . ILE 84 84 26962 1 . GLU 85 85 26962 1 . GLN 86 86 26962 1 . SER 87 87 26962 1 . ILE 88 88 26962 1 . GLU 89 89 26962 1 . LYS 90 90 26962 1 . ILE 91 91 26962 1 . LYS 92 92 26962 1 . GLN 93 93 26962 1 . SER 94 94 26962 1 . THR 95 95 26962 1 . ASP 96 96 26962 1 . GLU 97 97 26962 1 . LYS 98 98 26962 1 . PHE 99 99 26962 1 . ASN 100 100 26962 1 . LYS 101 101 26962 1 . ILE 102 102 26962 1 . PHE 103 103 26962 1 . ASN 104 104 26962 1 . ILE 105 105 26962 1 . LEU 106 106 26962 1 . TYR 107 107 26962 1 . THR 108 108 26962 1 . VAL 109 109 26962 1 . SER 110 110 26962 1 . ARG 111 111 26962 1 . ASP 112 112 26962 1 . LEU 113 113 26962 1 . ASN 114 114 26962 1 . LEU 115 115 26962 1 . PHE 116 116 26962 1 . ASN 117 117 26962 1 . THR 118 118 26962 1 . PHE 119 119 26962 1 . GLU 120 120 26962 1 . VAL 121 121 26962 1 . ASP 122 122 26962 1 . LEU 123 123 26962 1 . ILE 124 124 26962 1 . MET 125 125 26962 1 . GLU 126 126 26962 1 . CYS 127 127 26962 1 . ARG 128 128 26962 1 . ILE 129 129 26962 1 . ILE 130 130 26962 1 . SER 131 131 26962 1 . VAL 132 132 26962 1 . HIS 133 133 26962 1 . GLU 134 134 26962 1 . ASN 135 135 26962 1 . ALA 136 136 26962 1 . ARG 137 137 26962 1 . GLY 138 138 26962 1 . ARG 139 139 26962 1 . GLY 140 140 26962 1 . LEU 141 141 26962 1 . ALA 142 142 26962 1 . LYS 143 143 26962 1 . GLU 144 144 26962 1 . LEU 145 145 26962 1 . MET 146 146 26962 1 . LYS 147 147 26962 1 . ARG 148 148 26962 1 . SER 149 149 26962 1 . ILE 150 150 26962 1 . ASP 151 151 26962 1 . LEU 152 152 26962 1 . ALA 153 153 26962 1 . ARG 154 154 26962 1 . ASP 155 155 26962 1 . ASN 156 156 26962 1 . GLU 157 157 26962 1 . PHE 158 158 26962 1 . LYS 159 159 26962 1 . LEU 160 160 26962 1 . PHE 161 161 26962 1 . LYS 162 162 26962 1 . VAL 163 163 26962 1 . ASP 164 164 26962 1 . ALA 165 165 26962 1 . THR 166 166 26962 1 . GLY 167 167 26962 1 . ALA 168 168 26962 1 . PHE 169 169 26962 1 . SER 170 170 26962 1 . GLN 171 171 26962 1 . ARG 172 172 26962 1 . ILE 173 173 26962 1 . CYS 174 174 26962 1 . ARG 175 175 26962 1 . SER 176 176 26962 1 . LEU 177 177 26962 1 . SER 178 178 26962 1 . LEU 179 179 26962 1 . GLU 180 180 26962 1 . GLU 181 181 26962 1 . LEU 182 182 26962 1 . LYS 183 183 26962 1 . SER 184 184 26962 1 . VAL 185 185 26962 1 . ARG 186 186 26962 1 . TYR 187 187 26962 1 . ASP 188 188 26962 1 . GLU 189 189 26962 1 . TYR 190 190 26962 1 . CYS 191 191 26962 1 . ASP 192 192 26962 1 . GLU 193 193 26962 1 . SER 194 194 26962 1 . GLY 195 195 26962 1 . THR 196 196 26962 1 . PRO 197 197 26962 1 . ILE 198 198 26962 1 . PHE 199 199 26962 1 . ARG 200 200 26962 1 . VAL 201 201 26962 1 . PRO 202 202 26962 1 . PRO 203 203 26962 1 . PRO 204 204 26962 1 . ASP 205 205 26962 1 . HIS 206 206 26962 1 . ALA 207 207 26962 1 . LEU 208 208 26962 1 . CYS 209 209 26962 1 . VAL 210 210 26962 1 . MET 211 211 26962 1 . ILE 212 212 26962 1 . LEU 213 213 26962 1 . LYS 214 214 26962 1 . LEU 215 215 26962 1 . PRO 216 216 26962 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 26962 _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 $bmAANAT3 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 26962 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 26962 _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 $bmAANAT3 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET28a . . . 26962 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26962 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '15N labeled' _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 bmAANAT3 '[U-100% 15N]' . . 1 $bmAANAT3 . . 0.4 . . mM . . . . 26962 1 2 D2O 'natural abundance' . . . . . . 7 . . % . . . . 26962 1 3 TRIS [U-2H] . . . . . . 20 . . mM . . . . 26962 1 4 'potassium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 26962 1 5 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 26962 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 26962 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'double labeled' _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 bmAANAT3 '[U-100% 13C; U-100% 15N]' . . 1 $bmAANAT3 . . 0.4 . . mM . . . . 26962 2 2 D2O 'natural abundance' . . . . . . 7 . . % . . . . 26962 2 3 TRIS [U-2H] . . . . . . 20 . . mM . . . . 26962 2 4 'potassium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 26962 2 5 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 26962 2 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 26962 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.15 . M 26962 1 pH 80 . pH 26962 1 pressure 1 . atm 26962 1 temperature 303 . K 26962 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 26962 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details Sparky loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 26962 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26962 1 'data analysis' 26962 1 'peak picking' 26962 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 26962 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 26962 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 26962 2 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 26962 _Software.ID 3 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 26962 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 26962 3 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 26962 _Software.ID 4 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 26962 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 26962 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 26962 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Uniform NMR System' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 26962 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian 'Uniform NMR System' . 800 . . . 26962 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 26962 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_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.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26962 1 2 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26962 1 3 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26962 1 4 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26962 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26962 1 6 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26962 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 26962 _Chem_shift_reference.ID 1 _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 0.00 na indirect 0.251449530 . . . . . 26962 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 26962 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26962 1 P 31 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.404808636 . . . . . 26962 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 26962 _Assigned_chem_shift_list.ID 1 _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 $chemical_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' . . . 26962 1 2 '3D HNCA' . . . 26962 1 3 '3D HN(CO)CA' . . . 26962 1 4 '3D HNCACB' . . . 26962 1 5 '3D CBCA(CO)NH' . . . 26962 1 6 '3D HNCO' . . . 26962 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $SPARKY . . 26962 1 2 $NMRPipe . . 26962 1 3 $NMRDraw . . 26962 1 4 $VNMRJ . . 26962 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 4 4 MET C C 13 174.782 0.000 . . . . . . 1 M C . 26962 1 2 . 1 1 4 4 MET CA C 13 56.128 0.002 . . . . . . 1 M CA . 26962 1 3 . 1 1 4 4 MET CB C 13 33.338 0.017 . . . . . . 1 M CB . 26962 1 4 . 1 1 5 5 ALA H H 1 7.803 0.010 . . . . . . 2 A HN . 26962 1 5 . 1 1 5 5 ALA C C 13 174.978 0.000 . . . . . . 2 A C . 26962 1 6 . 1 1 5 5 ALA CA C 13 51.476 0.041 . . . . . . 2 A CA . 26962 1 7 . 1 1 5 5 ALA CB C 13 20.477 0.009 . . . . . . 2 A CB . 26962 1 8 . 1 1 5 5 ALA N N 15 121.087 0.103 . . . . . . 2 A N . 26962 1 9 . 1 1 6 6 ASP H H 1 8.270 0.012 . . . . . . 3 D HN . 26962 1 10 . 1 1 6 6 ASP C C 13 174.983 0.000 . . . . . . 3 D C . 26962 1 11 . 1 1 6 6 ASP CA C 13 53.502 0.012 . . . . . . 3 D CA . 26962 1 12 . 1 1 6 6 ASP CB C 13 42.640 0.006 . . . . . . 3 D CB . 26962 1 13 . 1 1 6 6 ASP N N 15 118.889 0.049 . . . . . . 3 D N . 26962 1 14 . 1 1 7 7 PHE H H 1 8.627 0.004 . . . . . . 4 F HN . 26962 1 15 . 1 1 7 7 PHE C C 13 175.801 0.000 . . . . . . 4 F C . 26962 1 16 . 1 1 7 7 PHE CA C 13 57.568 0.016 . . . . . . 4 F CA . 26962 1 17 . 1 1 7 7 PHE CB C 13 40.462 0.024 . . . . . . 4 F CB . 26962 1 18 . 1 1 7 7 PHE N N 15 121.981 0.035 . . . . . . 4 F N . 26962 1 19 . 1 1 8 8 VAL H H 1 9.047 0.018 . . . . . . 5 V HN . 26962 1 20 . 1 1 8 8 VAL C C 13 174.544 0.000 . . . . . . 5 V C . 26962 1 21 . 1 1 8 8 VAL CA C 13 59.064 0.023 . . . . . . 5 V CA . 26962 1 22 . 1 1 8 8 VAL CB C 13 35.739 0.020 . . . . . . 5 V CB . 26962 1 23 . 1 1 8 8 VAL N N 15 120.294 0.047 . . . . . . 5 V N . 26962 1 24 . 1 1 9 9 VAL H H 1 8.287 0.005 . . . . . . 6 V HN . 26962 1 25 . 1 1 9 9 VAL C C 13 176.885 0.000 . . . . . . 6 V C . 26962 1 26 . 1 1 9 9 VAL CA C 13 62.744 0.035 . . . . . . 6 V CA . 26962 1 27 . 1 1 9 9 VAL CB C 13 31.942 0.029 . . . . . . 6 V CB . 26962 1 28 . 1 1 9 9 VAL N N 15 124.789 0.056 . . . . . . 6 V N . 26962 1 29 . 1 1 10 10 VAL H H 1 8.256 0.025 . . . . . . 7 V HN . 26962 1 30 . 1 1 10 10 VAL C C 13 175.424 0.000 . . . . . . 7 V C . 26962 1 31 . 1 1 10 10 VAL CA C 13 64.450 0.047 . . . . . . 7 V CA . 26962 1 32 . 1 1 10 10 VAL CB C 13 31.430 0.007 . . . . . . 7 V CB . 26962 1 33 . 1 1 10 10 VAL N N 15 126.562 0.011 . . . . . . 7 V N . 26962 1 34 . 1 1 11 11 MET H H 1 7.526 0.014 . . . . . . 8 M HN . 26962 1 35 . 1 1 11 11 MET CA C 13 52.939 0.013 . . . . . . 8 M CA . 26962 1 36 . 1 1 11 11 MET CB C 13 32.624 0.000 . . . . . . 8 M CB . 26962 1 37 . 1 1 11 11 MET N N 15 130.479 0.084 . . . . . . 8 M N . 26962 1 38 . 1 1 12 12 PRO CA C 13 58.843 0.000 . . . . . . 9 P CA . 26962 1 39 . 1 1 14 14 MET H H 1 8.107 0.008 . . . . . . 11 M HN . 26962 1 40 . 1 1 14 14 MET C C 13 175.906 0.000 . . . . . . 11 M C . 26962 1 41 . 1 1 14 14 MET CA C 13 55.917 0.013 . . . . . . 11 M CA . 26962 1 42 . 1 1 14 14 MET CB C 13 34.613 0.028 . . . . . . 11 M CB . 26962 1 43 . 1 1 14 14 MET N N 15 120.136 0.015 . . . . . . 11 M N . 26962 1 44 . 1 1 15 15 LYS H H 1 7.403 0.003 . . . . . . 12 K HN . 26962 1 45 . 1 1 15 15 LYS C C 13 177.182 0.000 . . . . . . 12 K C . 26962 1 46 . 1 1 15 15 LYS CA C 13 61.323 0.019 . . . . . . 12 K CA . 26962 1 47 . 1 1 15 15 LYS CB C 13 32.187 0.019 . . . . . . 12 K CB . 26962 1 48 . 1 1 15 15 LYS N N 15 119.242 0.040 . . . . . . 12 K N . 26962 1 49 . 1 1 16 16 ASP H H 1 8.366 0.006 . . . . . . 13 D HN . 26962 1 50 . 1 1 16 16 ASP C C 13 178.678 0.000 . . . . . . 13 D C . 26962 1 51 . 1 1 16 16 ASP CA C 13 57.958 0.012 . . . . . . 13 D CA . 26962 1 52 . 1 1 16 16 ASP CB C 13 39.932 0.016 . . . . . . 13 D CB . 26962 1 53 . 1 1 16 16 ASP N N 15 118.165 0.012 . . . . . . 13 D N . 26962 1 54 . 1 1 17 17 ALA H H 1 8.125 0.009 . . . . . . 14 A HN . 26962 1 55 . 1 1 17 17 ALA C C 13 181.650 0.000 . . . . . . 14 A C . 26962 1 56 . 1 1 17 17 ALA CA C 13 54.870 0.019 . . . . . . 14 A CA . 26962 1 57 . 1 1 17 17 ALA CB C 13 17.849 0.009 . . . . . . 14 A CB . 26962 1 58 . 1 1 17 17 ALA N N 15 124.132 0.016 . . . . . . 14 A N . 26962 1 59 . 1 1 18 18 VAL H H 1 8.162 0.004 . . . . . . 15 V HN . 26962 1 60 . 1 1 18 18 VAL C C 13 177.276 0.000 . . . . . . 15 V C . 26962 1 61 . 1 1 18 18 VAL CA C 13 67.350 0.024 . . . . . . 15 V CA . 26962 1 62 . 1 1 18 18 VAL CB C 13 31.391 0.021 . . . . . . 15 V CB . 26962 1 63 . 1 1 18 18 VAL N N 15 119.730 0.062 . . . . . . 15 V N . 26962 1 64 . 1 1 19 19 ILE H H 1 8.450 0.004 . . . . . . 16 I HN . 26962 1 65 . 1 1 19 19 ILE C C 13 177.825 0.000 . . . . . . 16 I C . 26962 1 66 . 1 1 19 19 ILE CA C 13 62.983 0.018 . . . . . . 16 I CA . 26962 1 67 . 1 1 19 19 ILE CB C 13 34.931 0.019 . . . . . . 16 I CB . 26962 1 68 . 1 1 19 19 ILE N N 15 120.167 0.012 . . . . . . 16 I N . 26962 1 69 . 1 1 20 20 GLN H H 1 8.335 0.010 . . . . . . 17 Q HN . 26962 1 70 . 1 1 20 20 GLN C C 13 177.521 0.000 . . . . . . 17 Q C . 26962 1 71 . 1 1 20 20 GLN CA C 13 59.316 0.011 . . . . . . 17 Q CA . 26962 1 72 . 1 1 20 20 GLN CB C 13 28.026 0.009 . . . . . . 17 Q CB . 26962 1 73 . 1 1 20 20 GLN N N 15 118.879 0.022 . . . . . . 17 Q N . 26962 1 74 . 1 1 21 21 HIS H H 1 7.673 0.025 . . . . . . 18 H HN . 26962 1 75 . 1 1 21 21 HIS C C 13 177.376 0.000 . . . . . . 18 H C . 26962 1 76 . 1 1 21 21 HIS CA C 13 60.155 0.037 . . . . . . 18 H CA . 26962 1 77 . 1 1 21 21 HIS CB C 13 27.583 0.055 . . . . . . 18 H CB . 26962 1 78 . 1 1 21 21 HIS N N 15 117.374 0.108 . . . . . . 18 H N . 26962 1 79 . 1 1 22 22 LEU H H 1 8.166 0.051 . . . . . . 19 L HN . 26962 1 80 . 1 1 22 22 LEU C C 13 180.040 0.000 . . . . . . 19 L C . 26962 1 81 . 1 1 22 22 LEU CA C 13 57.598 0.036 . . . . . . 19 L CA . 26962 1 82 . 1 1 22 22 LEU CB C 13 41.356 0.064 . . . . . . 19 L CB . 26962 1 83 . 1 1 22 22 LEU N N 15 120.602 0.287 . . . . . . 19 L N . 26962 1 84 . 1 1 23 23 ARG H H 1 8.333 0.095 . . . . . . 20 R HN . 26962 1 85 . 1 1 23 23 ARG C C 13 179.806 0.000 . . . . . . 20 R C . 26962 1 86 . 1 1 23 23 ARG CA C 13 59.420 0.051 . . . . . . 20 R CA . 26962 1 87 . 1 1 23 23 ARG CB C 13 31.468 0.060 . . . . . . 20 R CB . 26962 1 88 . 1 1 23 23 ARG N N 15 120.551 0.194 . . . . . . 20 R N . 26962 1 89 . 1 1 24 24 ASP H H 1 7.793 0.207 . . . . . . 21 D HN . 26962 1 90 . 1 1 24 24 ASP C C 13 178.343 0.000 . . . . . . 21 D C . 26962 1 91 . 1 1 24 24 ASP CA C 13 57.026 0.014 . . . . . . 21 D CA . 26962 1 92 . 1 1 24 24 ASP CB C 13 41.702 0.058 . . . . . . 21 D CB . 26962 1 93 . 1 1 24 24 ASP N N 15 118.504 0.734 . . . . . . 21 D N . 26962 1 94 . 1 1 25 25 SER H H 1 7.978 0.046 . . . . . . 22 S HN . 26962 1 95 . 1 1 25 25 SER C C 13 172.776 0.000 . . . . . . 22 S C . 26962 1 96 . 1 1 25 25 SER CA C 13 59.342 0.017 . . . . . . 22 S CA . 26962 1 97 . 1 1 25 25 SER CB C 13 64.969 0.078 . . . . . . 22 S CB . 26962 1 98 . 1 1 25 25 SER N N 15 110.749 0.450 . . . . . . 22 S N . 26962 1 99 . 1 1 26 26 PHE H H 1 8.203 0.044 . . . . . . 23 F HN . 26962 1 100 . 1 1 26 26 PHE C C 13 176.159 0.000 . . . . . . 23 F C . 26962 1 101 . 1 1 26 26 PHE CA C 13 61.036 0.018 . . . . . . 23 F CA . 26962 1 102 . 1 1 26 26 PHE CB C 13 44.264 0.000 . . . . . . 23 F CB . 26962 1 103 . 1 1 26 26 PHE N N 15 121.315 0.296 . . . . . . 23 F N . 26962 1 104 . 1 1 27 27 PHE H H 1 8.193 0.013 . . . . . . 24 F HN . 26962 1 105 . 1 1 27 27 PHE C C 13 176.984 0.000 . . . . . . 24 F C . 26962 1 106 . 1 1 27 27 PHE CA C 13 59.242 0.036 . . . . . . 24 F CA . 26962 1 107 . 1 1 27 27 PHE CB C 13 37.937 0.008 . . . . . . 24 F CB . 26962 1 108 . 1 1 27 27 PHE N N 15 117.549 0.154 . . . . . . 24 F N . 26962 1 109 . 1 1 28 28 ALA H H 1 8.889 0.449 . . . . . . 25 A HN . 26962 1 110 . 1 1 28 28 ALA C C 13 177.333 0.000 . . . . . . 25 A C . 26962 1 111 . 1 1 28 28 ALA CA C 13 52.834 0.023 . . . . . . 25 A CA . 26962 1 112 . 1 1 28 28 ALA CB C 13 19.782 0.089 . . . . . . 25 A CB . 26962 1 113 . 1 1 28 28 ALA N N 15 115.876 0.015 . . . . . . 25 A N . 26962 1 114 . 1 1 29 29 ASP H H 1 7.078 0.079 . . . . . . 26 D HN . 26962 1 115 . 1 1 29 29 ASP C C 13 175.313 0.000 . . . . . . 26 D C . 26962 1 116 . 1 1 29 29 ASP CA C 13 54.528 0.028 . . . . . . 26 D CA . 26962 1 117 . 1 1 29 29 ASP CB C 13 43.672 0.033 . . . . . . 26 D CB . 26962 1 118 . 1 1 29 29 ASP N N 15 114.434 0.162 . . . . . . 26 D N . 26962 1 119 . 1 1 30 30 GLU H H 1 6.911 0.006 . . . . . . 27 E HN . 26962 1 120 . 1 1 30 30 GLU CA C 13 55.553 0.002 . . . . . . 27 E CA . 26962 1 121 . 1 1 30 30 GLU CB C 13 29.547 0.000 . . . . . . 27 E CB . 26962 1 122 . 1 1 30 30 GLU N N 15 127.404 0.014 . . . . . . 27 E N . 26962 1 123 . 1 1 31 31 PRO C C 13 178.916 0.000 . . . . . . 28 P C . 26962 1 124 . 1 1 31 31 PRO CA C 13 66.894 0.024 . . . . . . 28 P CA . 26962 1 125 . 1 1 31 31 PRO CB C 13 32.589 0.000 . . . . . . 28 P CB . 26962 1 126 . 1 1 32 32 LEU H H 1 8.710 0.043 . . . . . . 29 L HN . 26962 1 127 . 1 1 32 32 LEU C C 13 177.772 0.000 . . . . . . 29 L C . 26962 1 128 . 1 1 32 32 LEU CA C 13 57.852 0.007 . . . . . . 29 L CA . 26962 1 129 . 1 1 32 32 LEU CB C 13 40.769 0.038 . . . . . . 29 L CB . 26962 1 130 . 1 1 32 32 LEU N N 15 119.253 0.530 . . . . . . 29 L N . 26962 1 131 . 1 1 33 33 ASN H H 1 7.944 0.003 . . . . . . 30 N HN . 26962 1 132 . 1 1 33 33 ASN C C 13 179.303 0.000 . . . . . . 30 N C . 26962 1 133 . 1 1 33 33 ASN CA C 13 55.731 0.010 . . . . . . 30 N CA . 26962 1 134 . 1 1 33 33 ASN CB C 13 37.508 0.018 . . . . . . 30 N CB . 26962 1 135 . 1 1 33 33 ASN N N 15 120.486 0.012 . . . . . . 30 N N . 26962 1 136 . 1 1 34 34 LYS H H 1 8.922 0.015 . . . . . . 31 K HN . 26962 1 137 . 1 1 34 34 LYS C C 13 179.491 0.000 . . . . . . 31 K C . 26962 1 138 . 1 1 34 34 LYS CA C 13 59.107 0.053 . . . . . . 31 K CA . 26962 1 139 . 1 1 34 34 LYS CB C 13 32.540 0.064 . . . . . . 31 K CB . 26962 1 140 . 1 1 34 34 LYS N N 15 120.727 0.240 . . . . . . 31 K N . 26962 1 141 . 1 1 35 35 ALA H H 1 7.933 0.104 . . . . . . 32 A HN . 26962 1 142 . 1 1 35 35 ALA C C 13 180.261 0.000 . . . . . . 32 A C . 26962 1 143 . 1 1 35 35 ALA CA C 13 55.123 0.050 . . . . . . 32 A CA . 26962 1 144 . 1 1 35 35 ALA CB C 13 18.836 0.029 . . . . . . 32 A CB . 26962 1 145 . 1 1 35 35 ALA N N 15 122.160 0.307 . . . . . . 32 A N . 26962 1 146 . 1 1 36 36 VAL H H 1 7.702 0.131 . . . . . . 33 V HN . 26962 1 147 . 1 1 36 36 VAL C C 13 176.411 0.000 . . . . . . 33 V C . 26962 1 148 . 1 1 36 36 VAL CA C 13 60.995 0.045 . . . . . . 33 V CA . 26962 1 149 . 1 1 36 36 VAL CB C 13 33.038 0.050 . . . . . . 33 V CB . 26962 1 150 . 1 1 36 36 VAL N N 15 109.306 0.105 . . . . . . 33 V N . 26962 1 151 . 1 1 37 37 GLY H H 1 7.913 0.030 . . . . . . 34 G HN . 26962 1 152 . 1 1 37 37 GLY C C 13 176.163 0.000 . . . . . . 34 G C . 26962 1 153 . 1 1 37 37 GLY CA C 13 46.924 0.059 . . . . . . 34 G CA . 26962 1 154 . 1 1 37 37 GLY N N 15 112.581 0.074 . . . . . . 34 G N . 26962 1 155 . 1 1 38 38 LEU H H 1 8.113 0.070 . . . . . . 35 L HN . 26962 1 156 . 1 1 38 38 LEU C C 13 176.153 0.000 . . . . . . 35 L C . 26962 1 157 . 1 1 38 38 LEU CA C 13 58.645 0.104 . . . . . . 35 L CA . 26962 1 158 . 1 1 38 38 LEU CB C 13 43.669 0.121 . . . . . . 35 L CB . 26962 1 159 . 1 1 38 38 LEU N N 15 120.913 0.454 . . . . . . 35 L N . 26962 1 160 . 1 1 39 39 CYS H H 1 7.878 0.227 . . . . . . 36 C HN . 26962 1 161 . 1 1 39 39 CYS C C 13 172.741 0.000 . . . . . . 36 C C . 26962 1 162 . 1 1 39 39 CYS CA C 13 56.523 0.040 . . . . . . 36 C CA . 26962 1 163 . 1 1 39 39 CYS CB C 13 30.457 0.053 . . . . . . 36 C CB . 26962 1 164 . 1 1 39 39 CYS N N 15 110.215 1.423 . . . . . . 36 C N . 26962 1 165 . 1 1 40 40 GLU H H 1 8.347 0.004 . . . . . . 37 E HN . 26962 1 166 . 1 1 40 40 GLU C C 13 176.508 0.000 . . . . . . 37 E C . 26962 1 167 . 1 1 40 40 GLU CA C 13 54.692 0.072 . . . . . . 37 E CA . 26962 1 168 . 1 1 40 40 GLU CB C 13 31.677 0.053 . . . . . . 37 E CB . 26962 1 169 . 1 1 40 40 GLU N N 15 120.752 1.184 . . . . . . 37 E N . 26962 1 170 . 1 1 41 41 ARG H H 1 8.803 0.083 . . . . . . 38 R HN . 26962 1 171 . 1 1 41 41 ARG C C 13 177.487 0.000 . . . . . . 38 R C . 26962 1 172 . 1 1 41 41 ARG CA C 13 59.035 0.053 . . . . . . 38 R CA . 26962 1 173 . 1 1 41 41 ARG CB C 13 30.002 0.081 . . . . . . 38 R CB . 26962 1 174 . 1 1 41 41 ARG N N 15 123.888 0.436 . . . . . . 38 R N . 26962 1 175 . 1 1 42 42 GLY H H 1 8.421 0.138 . . . . . . 39 G HN . 26962 1 176 . 1 1 42 42 GLY C C 13 173.519 0.000 . . . . . . 39 G C . 26962 1 177 . 1 1 42 42 GLY CA C 13 45.582 0.093 . . . . . . 39 G CA . 26962 1 178 . 1 1 42 42 GLY N N 15 113.751 0.551 . . . . . . 39 G N . 26962 1 179 . 1 1 43 43 GLN H H 1 7.906 0.002 . . . . . . 40 Q HN . 26962 1 180 . 1 1 43 43 GLN CA C 13 53.014 0.000 . . . . . . 40 Q CA . 26962 1 181 . 1 1 43 43 GLN CB C 13 29.434 0.000 . . . . . . 40 Q CB . 26962 1 182 . 1 1 43 43 GLN N N 15 120.825 0.018 . . . . . . 40 Q N . 26962 1 183 . 1 1 44 44 PRO C C 13 177.332 0.000 . . . . . . 41 P C . 26962 1 184 . 1 1 44 44 PRO CA C 13 62.593 0.070 . . . . . . 41 P CA . 26962 1 185 . 1 1 44 44 PRO CB C 13 33.314 0.000 . . . . . . 41 P CB . 26962 1 186 . 1 1 45 45 HIS H H 1 8.306 0.015 . . . . . . 42 H HN . 26962 1 187 . 1 1 45 45 HIS C C 13 174.947 0.000 . . . . . . 42 H C . 26962 1 188 . 1 1 45 45 HIS CA C 13 58.781 0.039 . . . . . . 42 H CA . 26962 1 189 . 1 1 45 45 HIS CB C 13 33.305 0.034 . . . . . . 42 H CB . 26962 1 190 . 1 1 45 45 HIS N N 15 122.103 0.345 . . . . . . 42 H N . 26962 1 191 . 1 1 46 46 ALA H H 1 8.288 0.004 . . . . . . 43 A HN . 26962 1 192 . 1 1 46 46 ALA C C 13 179.799 0.000 . . . . . . 43 A C . 26962 1 193 . 1 1 46 46 ALA CA C 13 56.215 0.037 . . . . . . 43 A CA . 26962 1 194 . 1 1 46 46 ALA CB C 13 18.126 0.058 . . . . . . 43 A CB . 26962 1 195 . 1 1 46 46 ALA N N 15 129.171 0.025 . . . . . . 43 A N . 26962 1 196 . 1 1 47 47 ALA H H 1 8.010 0.010 . . . . . . 44 A HN . 26962 1 197 . 1 1 47 47 ALA C C 13 181.006 0.000 . . . . . . 44 A C . 26962 1 198 . 1 1 47 47 ALA CA C 13 55.378 0.037 . . . . . . 44 A CA . 26962 1 199 . 1 1 47 47 ALA CB C 13 17.730 0.069 . . . . . . 44 A CB . 26962 1 200 . 1 1 47 47 ALA N N 15 120.679 0.047 . . . . . . 44 A N . 26962 1 201 . 1 1 48 48 LEU H H 1 9.984 0.089 . . . . . . 45 L HN . 26962 1 202 . 1 1 48 48 LEU C C 13 180.485 0.000 . . . . . . 45 L C . 26962 1 203 . 1 1 48 48 LEU CA C 13 58.313 0.050 . . . . . . 45 L CA . 26962 1 204 . 1 1 48 48 LEU CB C 13 41.955 0.092 . . . . . . 45 L CB . 26962 1 205 . 1 1 48 48 LEU N N 15 122.139 0.387 . . . . . . 45 L N . 26962 1 206 . 1 1 49 49 GLU H H 1 8.645 0.034 . . . . . . 46 E HN . 26962 1 207 . 1 1 49 49 GLU C C 13 178.580 0.000 . . . . . . 46 E C . 26962 1 208 . 1 1 49 49 GLU CA C 13 61.158 0.034 . . . . . . 46 E CA . 26962 1 209 . 1 1 49 49 GLU CB C 13 28.341 0.044 . . . . . . 46 E CB . 26962 1 210 . 1 1 49 49 GLU N N 15 119.227 0.094 . . . . . . 46 E N . 26962 1 211 . 1 1 50 50 ARG H H 1 8.267 0.030 . . . . . . 47 R HN . 26962 1 212 . 1 1 50 50 ARG C C 13 179.609 0.000 . . . . . . 47 R C . 26962 1 213 . 1 1 50 50 ARG CA C 13 60.458 0.067 . . . . . . 47 R CA . 26962 1 214 . 1 1 50 50 ARG CB C 13 30.071 0.083 . . . . . . 47 R CB . 26962 1 215 . 1 1 50 50 ARG N N 15 119.835 0.202 . . . . . . 47 R N . 26962 1 216 . 1 1 51 51 LEU H H 1 7.377 0.005 . . . . . . 48 L HN . 26962 1 217 . 1 1 51 51 LEU C C 13 180.536 0.000 . . . . . . 48 L C . 26962 1 218 . 1 1 51 51 LEU CA C 13 58.335 0.053 . . . . . . 48 L CA . 26962 1 219 . 1 1 51 51 LEU CB C 13 41.916 0.070 . . . . . . 48 L CB . 26962 1 220 . 1 1 51 51 LEU N N 15 120.443 0.174 . . . . . . 48 L N . 26962 1 221 . 1 1 52 52 CYS H H 1 8.309 0.033 . . . . . . 49 C HN . 26962 1 222 . 1 1 52 52 CYS C C 13 176.860 0.000 . . . . . . 49 C C . 26962 1 223 . 1 1 52 52 CYS CA C 13 64.750 0.039 . . . . . . 49 C CA . 26962 1 224 . 1 1 52 52 CYS CB C 13 26.791 0.047 . . . . . . 49 C CB . 26962 1 225 . 1 1 52 52 CYS N N 15 119.879 0.153 . . . . . . 49 C N . 26962 1 226 . 1 1 53 53 LEU H H 1 9.051 0.015 . . . . . . 50 L HN . 26962 1 227 . 1 1 53 53 LEU C C 13 179.333 0.000 . . . . . . 50 L C . 26962 1 228 . 1 1 53 53 LEU CA C 13 58.724 0.050 . . . . . . 50 L CA . 26962 1 229 . 1 1 53 53 LEU CB C 13 41.561 0.039 . . . . . . 50 L CB . 26962 1 230 . 1 1 53 53 LEU N N 15 122.552 0.138 . . . . . . 50 L N . 26962 1 231 . 1 1 54 54 ALA H H 1 8.001 0.020 . . . . . . 51 A HN . 26962 1 232 . 1 1 54 54 ALA C C 13 181.065 0.000 . . . . . . 51 A C . 26962 1 233 . 1 1 54 54 ALA CA C 13 55.261 0.068 . . . . . . 51 A CA . 26962 1 234 . 1 1 54 54 ALA CB C 13 17.770 0.052 . . . . . . 51 A CB . 26962 1 235 . 1 1 54 54 ALA N N 15 121.916 0.047 . . . . . . 51 A N . 26962 1 236 . 1 1 55 55 THR H H 1 8.216 0.024 . . . . . . 52 T HN . 26962 1 237 . 1 1 55 55 THR C C 13 177.677 0.000 . . . . . . 52 T C . 26962 1 238 . 1 1 55 55 THR CA C 13 66.937 0.064 . . . . . . 52 T CA . 26962 1 239 . 1 1 55 55 THR CB C 13 68.395 0.096 . . . . . . 52 T CB . 26962 1 240 . 1 1 55 55 THR N N 15 115.760 0.046 . . . . . . 52 T N . 26962 1 241 . 1 1 56 56 MET H H 1 8.513 0.011 . . . . . . 53 M HN . 26962 1 242 . 1 1 56 56 MET C C 13 178.257 0.000 . . . . . . 53 M C . 26962 1 243 . 1 1 56 56 MET CA C 13 60.828 0.048 . . . . . . 53 M CA . 26962 1 244 . 1 1 56 56 MET CB C 13 34.840 0.006 . . . . . . 53 M CB . 26962 1 245 . 1 1 56 56 MET N N 15 120.779 0.146 . . . . . . 53 M N . 26962 1 246 . 1 1 57 57 THR H H 1 7.769 0.016 . . . . . . 54 T HN . 26962 1 247 . 1 1 57 57 THR C C 13 174.728 0.000 . . . . . . 54 T C . 26962 1 248 . 1 1 57 57 THR CA C 13 65.396 0.036 . . . . . . 54 T CA . 26962 1 249 . 1 1 57 57 THR CB C 13 69.188 0.090 . . . . . . 54 T CB . 26962 1 250 . 1 1 57 57 THR N N 15 113.842 0.144 . . . . . . 54 T N . 26962 1 251 . 1 1 58 58 ASP H H 1 7.560 0.009 . . . . . . 55 D HN . 26962 1 252 . 1 1 58 58 ASP C C 13 177.218 0.000 . . . . . . 55 D C . 26962 1 253 . 1 1 58 58 ASP CA C 13 57.094 0.094 . . . . . . 55 D CA . 26962 1 254 . 1 1 58 58 ASP CB C 13 40.801 0.067 . . . . . . 55 D CB . 26962 1 255 . 1 1 58 58 ASP N N 15 120.253 0.047 . . . . . . 55 D N . 26962 1 256 . 1 1 59 59 GLY H H 1 7.808 0.002 . . . . . . 56 G HN . 26962 1 257 . 1 1 59 59 GLY C C 13 174.347 0.000 . . . . . . 56 G C . 26962 1 258 . 1 1 59 59 GLY CA C 13 47.313 0.073 . . . . . . 56 G CA . 26962 1 259 . 1 1 59 59 GLY N N 15 105.416 0.057 . . . . . . 56 G N . 26962 1 260 . 1 1 60 60 LEU H H 1 8.355 0.012 . . . . . . 57 L HN . 26962 1 261 . 1 1 60 60 LEU C C 13 175.096 0.000 . . . . . . 57 L C . 26962 1 262 . 1 1 60 60 LEU CA C 13 53.161 0.059 . . . . . . 57 L CA . 26962 1 263 . 1 1 60 60 LEU CB C 13 44.512 0.121 . . . . . . 57 L CB . 26962 1 264 . 1 1 60 60 LEU N N 15 118.144 0.196 . . . . . . 57 L N . 26962 1 265 . 1 1 61 61 SER H H 1 8.278 0.027 . . . . . . 58 S HN . 26962 1 266 . 1 1 61 61 SER C C 13 173.051 0.000 . . . . . . 58 S C . 26962 1 267 . 1 1 61 61 SER CA C 13 60.524 0.061 . . . . . . 58 S CA . 26962 1 268 . 1 1 61 61 SER CB C 13 63.019 0.079 . . . . . . 58 S CB . 26962 1 269 . 1 1 61 61 SER N N 15 116.769 0.100 . . . . . . 58 S N . 26962 1 270 . 1 1 62 62 ILE H H 1 8.889 0.010 . . . . . . 59 I HN . 26962 1 271 . 1 1 62 62 ILE C C 13 173.520 0.000 . . . . . . 59 I C . 26962 1 272 . 1 1 62 62 ILE CA C 13 59.955 0.053 . . . . . . 59 I CA . 26962 1 273 . 1 1 62 62 ILE CB C 13 43.191 0.056 . . . . . . 59 I CB . 26962 1 274 . 1 1 62 62 ILE N N 15 122.094 0.011 . . . . . . 59 I N . 26962 1 275 . 1 1 63 63 ALA H H 1 9.356 0.020 . . . . . . 60 A HN . 26962 1 276 . 1 1 63 63 ALA C C 13 174.902 0.000 . . . . . . 60 A C . 26962 1 277 . 1 1 63 63 ALA CA C 13 49.753 0.050 . . . . . . 60 A CA . 26962 1 278 . 1 1 63 63 ALA CB C 13 22.026 0.090 . . . . . . 60 A CB . 26962 1 279 . 1 1 63 63 ALA N N 15 126.328 0.067 . . . . . . 60 A N . 26962 1 280 . 1 1 64 64 ALA H H 1 8.491 0.022 . . . . . . 61 A HN . 26962 1 281 . 1 1 64 64 ALA C C 13 175.251 0.000 . . . . . . 61 A C . 26962 1 282 . 1 1 64 64 ALA CA C 13 49.645 0.084 . . . . . . 61 A CA . 26962 1 283 . 1 1 64 64 ALA CB C 13 20.750 0.043 . . . . . . 61 A CB . 26962 1 284 . 1 1 64 64 ALA N N 15 124.069 0.074 . . . . . . 61 A N . 26962 1 285 . 1 1 65 65 MET H H 1 9.062 0.011 . . . . . . 62 M HN . 26962 1 286 . 1 1 65 65 MET C C 13 176.189 0.000 . . . . . . 62 M C . 26962 1 287 . 1 1 65 65 MET CA C 13 53.083 0.062 . . . . . . 62 M CA . 26962 1 288 . 1 1 65 65 MET CB C 13 34.168 0.019 . . . . . . 62 M CB . 26962 1 289 . 1 1 65 65 MET N N 15 121.574 0.057 . . . . . . 62 M N . 26962 1 290 . 1 1 66 66 ASP H H 1 8.684 0.003 . . . . . . 63 D HN . 26962 1 291 . 1 1 66 66 ASP C C 13 177.021 0.000 . . . . . . 63 D C . 26962 1 292 . 1 1 66 66 ASP CA C 13 52.670 0.072 . . . . . . 63 D CA . 26962 1 293 . 1 1 66 66 ASP CB C 13 42.065 0.012 . . . . . . 63 D CB . 26962 1 294 . 1 1 66 66 ASP N N 15 121.200 0.111 . . . . . . 63 D N . 26962 1 295 . 1 1 67 67 GLY H H 1 9.012 0.015 . . . . . . 64 G HN . 26962 1 296 . 1 1 67 67 GLY C C 13 174.238 0.000 . . . . . . 64 G C . 26962 1 297 . 1 1 67 67 GLY CA C 13 47.517 0.066 . . . . . . 64 G CA . 26962 1 298 . 1 1 67 67 GLY N N 15 115.878 0.015 . . . . . . 64 G N . 26962 1 299 . 1 1 68 68 ASP H H 1 8.550 0.006 . . . . . . 65 D HN . 26962 1 300 . 1 1 68 68 ASP C C 13 175.680 0.000 . . . . . . 65 D C . 26962 1 301 . 1 1 68 68 ASP CA C 13 53.997 0.064 . . . . . . 65 D CA . 26962 1 302 . 1 1 68 68 ASP CB C 13 40.947 0.035 . . . . . . 65 D CB . 26962 1 303 . 1 1 68 68 ASP N N 15 125.860 0.028 . . . . . . 65 D N . 26962 1 304 . 1 1 69 69 LYS H H 1 7.937 0.005 . . . . . . 66 K HN . 26962 1 305 . 1 1 69 69 LYS C C 13 175.238 0.000 . . . . . . 66 K C . 26962 1 306 . 1 1 69 69 LYS CA C 13 55.533 0.041 . . . . . . 66 K CA . 26962 1 307 . 1 1 69 69 LYS CB C 13 33.371 0.038 . . . . . . 66 K CB . 26962 1 308 . 1 1 69 69 LYS N N 15 121.010 0.023 . . . . . . 66 K N . 26962 1 309 . 1 1 70 70 VAL H H 1 8.578 0.035 . . . . . . 67 V HN . 26962 1 310 . 1 1 70 70 VAL C C 13 176.009 0.000 . . . . . . 67 V C . 26962 1 311 . 1 1 70 70 VAL CA C 13 62.414 0.059 . . . . . . 67 V CA . 26962 1 312 . 1 1 70 70 VAL CB C 13 32.110 0.074 . . . . . . 67 V CB . 26962 1 313 . 1 1 70 70 VAL N N 15 124.576 0.056 . . . . . . 67 V N . 26962 1 314 . 1 1 71 71 LEU H H 1 9.255 0.009 . . . . . . 68 L HN . 26962 1 315 . 1 1 71 71 LEU C C 13 176.518 0.000 . . . . . . 68 L C . 26962 1 316 . 1 1 71 71 LEU CA C 13 55.263 0.072 . . . . . . 68 L CA . 26962 1 317 . 1 1 71 71 LEU CB C 13 43.763 0.079 . . . . . . 68 L CB . 26962 1 318 . 1 1 71 71 LEU N N 15 127.785 0.021 . . . . . . 68 L N . 26962 1 319 . 1 1 72 72 GLY H H 1 7.400 0.002 . . . . . . 69 G HN . 26962 1 320 . 1 1 72 72 GLY C C 13 171.095 0.000 . . . . . . 69 G C . 26962 1 321 . 1 1 72 72 GLY CA C 13 47.031 0.059 . . . . . . 69 G CA . 26962 1 322 . 1 1 72 72 GLY N N 15 104.719 0.187 . . . . . . 69 G N . 26962 1 323 . 1 1 73 73 VAL H H 1 9.052 0.072 . . . . . . 70 V HN . 26962 1 324 . 1 1 73 73 VAL C C 13 171.945 0.000 . . . . . . 70 V C . 26962 1 325 . 1 1 73 73 VAL CA C 13 59.542 0.033 . . . . . . 70 V CA . 26962 1 326 . 1 1 73 73 VAL CB C 13 36.676 0.059 . . . . . . 70 V CB . 26962 1 327 . 1 1 73 73 VAL N N 15 115.051 0.705 . . . . . . 70 V N . 26962 1 328 . 1 1 74 74 ALA H H 1 9.167 0.038 . . . . . . 71 A HN . 26962 1 329 . 1 1 74 74 ALA C C 13 175.911 0.000 . . . . . . 71 A C . 26962 1 330 . 1 1 74 74 ALA CA C 13 50.279 0.048 . . . . . . 71 A CA . 26962 1 331 . 1 1 74 74 ALA CB C 13 21.606 0.041 . . . . . . 71 A CB . 26962 1 332 . 1 1 74 74 ALA N N 15 125.768 0.352 . . . . . . 71 A N . 26962 1 333 . 1 1 75 75 LEU H H 1 9.054 0.067 . . . . . . 72 L HN . 26962 1 334 . 1 1 75 75 LEU C C 13 174.601 0.000 . . . . . . 72 L C . 26962 1 335 . 1 1 75 75 LEU CA C 13 53.142 0.071 . . . . . . 72 L CA . 26962 1 336 . 1 1 75 75 LEU CB C 13 42.054 0.022 . . . . . . 72 L CB . 26962 1 337 . 1 1 75 75 LEU N N 15 121.593 0.175 . . . . . . 72 L N . 26962 1 338 . 1 1 76 76 ASN H H 1 7.164 0.062 . . . . . . 73 N HN . 26962 1 339 . 1 1 76 76 ASN C C 13 173.572 0.000 . . . . . . 73 N C . 26962 1 340 . 1 1 76 76 ASN CA C 13 51.688 0.045 . . . . . . 73 N CA . 26962 1 341 . 1 1 76 76 ASN CB C 13 42.235 0.091 . . . . . . 73 N CB . 26962 1 342 . 1 1 76 76 ASN N N 15 122.627 0.087 . . . . . . 73 N N . 26962 1 343 . 1 1 77 77 GLY H H 1 9.450 0.009 . . . . . . 74 G HN . 26962 1 344 . 1 1 77 77 GLY C C 13 171.387 0.000 . . . . . . 74 G C . 26962 1 345 . 1 1 77 77 GLY CA C 13 43.362 0.058 . . . . . . 74 G CA . 26962 1 346 . 1 1 77 77 GLY N N 15 108.924 0.043 . . . . . . 74 G N . 26962 1 347 . 1 1 78 78 ILE H H 1 8.704 0.032 . . . . . . 75 I HN . 26962 1 348 . 1 1 78 78 ILE C C 13 174.679 0.000 . . . . . . 75 I C . 26962 1 349 . 1 1 78 78 ILE CA C 13 61.605 0.040 . . . . . . 75 I CA . 26962 1 350 . 1 1 78 78 ILE CB C 13 39.477 0.080 . . . . . . 75 I CB . 26962 1 351 . 1 1 78 78 ILE N N 15 119.988 0.042 . . . . . . 75 I N . 26962 1 352 . 1 1 79 79 LEU H H 1 9.293 0.023 . . . . . . 76 L HN . 26962 1 353 . 1 1 79 79 LEU C C 13 174.816 0.000 . . . . . . 76 L C . 26962 1 354 . 1 1 79 79 LEU CA C 13 54.104 0.039 . . . . . . 76 L CA . 26962 1 355 . 1 1 79 79 LEU CB C 13 45.947 0.073 . . . . . . 76 L CB . 26962 1 356 . 1 1 79 79 LEU N N 15 130.887 0.323 . . . . . . 76 L N . 26962 1 357 . 1 1 80 80 ARG H H 1 8.910 0.026 . . . . . . 77 R HN . 26962 1 358 . 1 1 80 80 ARG C C 13 176.934 0.000 . . . . . . 77 R C . 26962 1 359 . 1 1 80 80 ARG CA C 13 54.428 0.052 . . . . . . 77 R CA . 26962 1 360 . 1 1 80 80 ARG CB C 13 32.549 0.033 . . . . . . 77 R CB . 26962 1 361 . 1 1 80 80 ARG N N 15 125.602 0.044 . . . . . . 77 R N . 26962 1 362 . 1 1 81 81 HIS H H 1 8.241 0.013 . . . . . . 78 H HN . 26962 1 363 . 1 1 81 81 HIS CA C 13 58.921 0.030 . . . . . . 78 H CA . 26962 1 364 . 1 1 81 81 HIS CB C 13 30.337 0.000 . . . . . . 78 H CB . 26962 1 365 . 1 1 81 81 HIS N N 15 123.873 0.081 . . . . . . 78 H N . 26962 1 366 . 1 1 82 82 GLY C C 13 175.369 0.000 . . . . . . 79 G C . 26962 1 367 . 1 1 83 83 ASP H H 1 8.059 0.023 . . . . . . 80 D HN . 26962 1 368 . 1 1 83 83 ASP C C 13 179.459 0.000 . . . . . . 80 D C . 26962 1 369 . 1 1 83 83 ASP CA C 13 57.728 0.016 . . . . . . 80 D CA . 26962 1 370 . 1 1 83 83 ASP CB C 13 41.124 0.000 . . . . . . 80 D CB . 26962 1 371 . 1 1 83 83 ASP N N 15 123.127 0.033 . . . . . . 80 D N . 26962 1 372 . 1 1 84 84 ILE H H 1 9.188 0.009 . . . . . . 81 I HN . 26962 1 373 . 1 1 84 84 ILE C C 13 177.656 0.000 . . . . . . 81 I C . 26962 1 374 . 1 1 84 84 ILE CA C 13 65.197 0.021 . . . . . . 81 I CA . 26962 1 375 . 1 1 84 84 ILE CB C 13 37.932 0.031 . . . . . . 81 I CB . 26962 1 376 . 1 1 84 84 ILE N N 15 122.743 0.016 . . . . . . 81 I N . 26962 1 377 . 1 1 85 85 GLU H H 1 9.361 0.022 . . . . . . 82 E HN . 26962 1 378 . 1 1 85 85 GLU C C 13 180.099 0.000 . . . . . . 82 E C . 26962 1 379 . 1 1 85 85 GLU CA C 13 61.952 0.023 . . . . . . 82 E CA . 26962 1 380 . 1 1 85 85 GLU CB C 13 27.927 0.036 . . . . . . 82 E CB . 26962 1 381 . 1 1 85 85 GLU N N 15 120.493 0.019 . . . . . . 82 E N . 26962 1 382 . 1 1 86 86 GLN H H 1 7.742 0.019 . . . . . . 83 Q HN . 26962 1 383 . 1 1 86 86 GLN C C 13 178.739 0.000 . . . . . . 83 Q C . 26962 1 384 . 1 1 86 86 GLN CA C 13 58.841 0.033 . . . . . . 83 Q CA . 26962 1 385 . 1 1 86 86 GLN CB C 13 28.682 0.013 . . . . . . 83 Q CB . 26962 1 386 . 1 1 86 86 GLN N N 15 118.797 0.008 . . . . . . 83 Q N . 26962 1 387 . 1 1 87 87 SER H H 1 8.463 0.004 . . . . . . 84 S HN . 26962 1 388 . 1 1 87 87 SER C C 13 176.232 0.000 . . . . . . 84 S C . 26962 1 389 . 1 1 87 87 SER CA C 13 62.781 0.052 . . . . . . 84 S CA . 26962 1 390 . 1 1 87 87 SER CB C 13 61.731 0.029 . . . . . . 84 S CB . 26962 1 391 . 1 1 87 87 SER N N 15 119.510 0.045 . . . . . . 84 S N . 26962 1 392 . 1 1 88 88 ILE H H 1 8.154 0.013 . . . . . . 85 I HN . 26962 1 393 . 1 1 88 88 ILE C C 13 178.018 0.000 . . . . . . 85 I C . 26962 1 394 . 1 1 88 88 ILE CA C 13 65.836 0.038 . . . . . . 85 I CA . 26962 1 395 . 1 1 88 88 ILE CB C 13 38.488 0.011 . . . . . . 85 I CB . 26962 1 396 . 1 1 88 88 ILE N N 15 122.900 0.044 . . . . . . 85 I N . 26962 1 397 . 1 1 89 89 GLU H H 1 7.537 0.015 . . . . . . 86 E HN . 26962 1 398 . 1 1 89 89 GLU C C 13 179.599 0.000 . . . . . . 86 E C . 26962 1 399 . 1 1 89 89 GLU CA C 13 59.169 0.016 . . . . . . 86 E CA . 26962 1 400 . 1 1 89 89 GLU CB C 13 29.121 0.057 . . . . . . 86 E CB . 26962 1 401 . 1 1 89 89 GLU N N 15 119.436 0.007 . . . . . . 86 E N . 26962 1 402 . 1 1 90 90 LYS H H 1 7.922 0.025 . . . . . . 87 K HN . 26962 1 403 . 1 1 90 90 LYS C C 13 180.509 0.000 . . . . . . 87 K C . 26962 1 404 . 1 1 90 90 LYS CA C 13 59.336 0.021 . . . . . . 87 K CA . 26962 1 405 . 1 1 90 90 LYS CB C 13 32.338 0.061 . . . . . . 87 K CB . 26962 1 406 . 1 1 90 90 LYS N N 15 118.540 0.017 . . . . . . 87 K N . 26962 1 407 . 1 1 91 91 ILE H H 1 7.901 0.004 . . . . . . 88 I HN . 26962 1 408 . 1 1 91 91 ILE C C 13 178.154 0.000 . . . . . . 88 I C . 26962 1 409 . 1 1 91 91 ILE CA C 13 63.511 0.021 . . . . . . 88 I CA . 26962 1 410 . 1 1 91 91 ILE CB C 13 37.021 0.018 . . . . . . 88 I CB . 26962 1 411 . 1 1 91 91 ILE N N 15 119.512 0.044 . . . . . . 88 I N . 26962 1 412 . 1 1 92 92 LYS H H 1 7.595 0.008 . . . . . . 89 K HN . 26962 1 413 . 1 1 92 92 LYS C C 13 177.963 0.000 . . . . . . 89 K C . 26962 1 414 . 1 1 92 92 LYS CA C 13 59.026 0.015 . . . . . . 89 K CA . 26962 1 415 . 1 1 92 92 LYS CB C 13 32.506 0.043 . . . . . . 89 K CB . 26962 1 416 . 1 1 92 92 LYS N N 15 119.701 0.084 . . . . . . 89 K N . 26962 1 417 . 1 1 93 93 GLN H H 1 7.365 0.010 . . . . . . 90 Q HN . 26962 1 418 . 1 1 93 93 GLN C C 13 176.198 0.000 . . . . . . 90 Q C . 26962 1 419 . 1 1 93 93 GLN CA C 13 55.523 0.039 . . . . . . 90 Q CA . 26962 1 420 . 1 1 93 93 GLN CB C 13 29.221 0.008 . . . . . . 90 Q CB . 26962 1 421 . 1 1 93 93 GLN N N 15 114.295 0.011 . . . . . . 90 Q N . 26962 1 422 . 1 1 94 94 SER H H 1 7.579 0.013 . . . . . . 91 S HN . 26962 1 423 . 1 1 94 94 SER CA C 13 56.822 0.026 . . . . . . 91 S CA . 26962 1 424 . 1 1 94 94 SER CB C 13 62.585 0.000 . . . . . . 91 S CB . 26962 1 425 . 1 1 94 94 SER N N 15 115.467 0.015 . . . . . . 91 S N . 26962 1 426 . 1 1 95 95 THR C C 13 173.745 0.000 . . . . . . 92 T C . 26962 1 427 . 1 1 95 95 THR CA C 13 61.352 0.015 . . . . . . 92 T CA . 26962 1 428 . 1 1 95 95 THR CB C 13 68.719 0.006 . . . . . . 92 T CB . 26962 1 429 . 1 1 96 96 ASP H H 1 7.653 0.005 . . . . . . 93 D HN . 26962 1 430 . 1 1 96 96 ASP C C 13 175.055 0.000 . . . . . . 93 D C . 26962 1 431 . 1 1 96 96 ASP CA C 13 52.773 0.007 . . . . . . 93 D CA . 26962 1 432 . 1 1 96 96 ASP CB C 13 41.109 0.017 . . . . . . 93 D CB . 26962 1 433 . 1 1 96 96 ASP N N 15 122.190 0.017 . . . . . . 93 D N . 26962 1 434 . 1 1 97 97 GLU H H 1 8.629 0.005 . . . . . . 94 E HN . 26962 1 435 . 1 1 97 97 GLU C C 13 178.676 0.000 . . . . . . 94 E C . 26962 1 436 . 1 1 97 97 GLU CA C 13 59.407 0.022 . . . . . . 94 E CA . 26962 1 437 . 1 1 97 97 GLU CB C 13 29.935 0.008 . . . . . . 94 E CB . 26962 1 438 . 1 1 97 97 GLU N N 15 124.887 0.033 . . . . . . 94 E N . 26962 1 439 . 1 1 98 98 LYS H H 1 8.035 0.008 . . . . . . 95 K HN . 26962 1 440 . 1 1 98 98 LYS C C 13 176.725 0.000 . . . . . . 95 K C . 26962 1 441 . 1 1 98 98 LYS CA C 13 60.586 0.012 . . . . . . 95 K CA . 26962 1 442 . 1 1 98 98 LYS CB C 13 33.866 0.028 . . . . . . 95 K CB . 26962 1 443 . 1 1 98 98 LYS N N 15 119.048 0.035 . . . . . . 95 K N . 26962 1 444 . 1 1 99 99 PHE H H 1 7.385 0.016 . . . . . . 96 F HN . 26962 1 445 . 1 1 99 99 PHE C C 13 177.083 0.000 . . . . . . 96 F C . 26962 1 446 . 1 1 99 99 PHE CA C 13 61.359 0.015 . . . . . . 96 F CA . 26962 1 447 . 1 1 99 99 PHE CB C 13 40.176 0.031 . . . . . . 96 F CB . 26962 1 448 . 1 1 99 99 PHE N N 15 119.562 0.056 . . . . . . 96 F N . 26962 1 449 . 1 1 100 100 ASN H H 1 8.621 0.002 . . . . . . 97 N HN . 26962 1 450 . 1 1 100 100 ASN C C 13 177.410 0.000 . . . . . . 97 N C . 26962 1 451 . 1 1 100 100 ASN CA C 13 55.984 0.021 . . . . . . 97 N CA . 26962 1 452 . 1 1 100 100 ASN CB C 13 37.702 0.028 . . . . . . 97 N CB . 26962 1 453 . 1 1 100 100 ASN N N 15 116.501 0.088 . . . . . . 97 N N . 26962 1 454 . 1 1 101 101 LYS H H 1 7.818 0.011 . . . . . . 98 K HN . 26962 1 455 . 1 1 101 101 LYS C C 13 179.152 0.000 . . . . . . 98 K C . 26962 1 456 . 1 1 101 101 LYS CA C 13 60.110 0.013 . . . . . . 98 K CA . 26962 1 457 . 1 1 101 101 LYS CB C 13 32.923 0.006 . . . . . . 98 K CB . 26962 1 458 . 1 1 101 101 LYS N N 15 118.134 0.062 . . . . . . 98 K N . 26962 1 459 . 1 1 102 102 ILE H H 1 7.108 0.008 . . . . . . 99 I HN . 26962 1 460 . 1 1 102 102 ILE C C 13 176.252 0.000 . . . . . . 99 I C . 26962 1 461 . 1 1 102 102 ILE CA C 13 65.201 0.032 . . . . . . 99 I CA . 26962 1 462 . 1 1 102 102 ILE CB C 13 39.054 0.039 . . . . . . 99 I CB . 26962 1 463 . 1 1 102 102 ILE N N 15 118.185 0.171 . . . . . . 99 I N . 26962 1 464 . 1 1 103 103 PHE H H 1 7.611 0.034 . . . . . . 100 F HN . 26962 1 465 . 1 1 103 103 PHE C C 13 176.923 0.000 . . . . . . 100 F C . 26962 1 466 . 1 1 103 103 PHE CA C 13 63.096 0.014 . . . . . . 100 F CA . 26962 1 467 . 1 1 103 103 PHE CB C 13 37.662 0.013 . . . . . . 100 F CB . 26962 1 468 . 1 1 103 103 PHE N N 15 114.601 0.142 . . . . . . 100 F N . 26962 1 469 . 1 1 104 104 ASN H H 1 8.741 0.009 . . . . . . 101 N HN . 26962 1 470 . 1 1 104 104 ASN C C 13 179.148 0.000 . . . . . . 101 N C . 26962 1 471 . 1 1 104 104 ASN CA C 13 57.589 0.021 . . . . . . 101 N CA . 26962 1 472 . 1 1 104 104 ASN CB C 13 38.985 0.006 . . . . . . 101 N CB . 26962 1 473 . 1 1 104 104 ASN N N 15 117.444 0.055 . . . . . . 101 N N . 26962 1 474 . 1 1 105 105 ILE H H 1 7.168 0.005 . . . . . . 102 I HN . 26962 1 475 . 1 1 105 105 ILE C C 13 175.071 0.000 . . . . . . 102 I C . 26962 1 476 . 1 1 105 105 ILE CA C 13 65.072 0.031 . . . . . . 102 I CA . 26962 1 477 . 1 1 105 105 ILE CB C 13 36.697 0.078 . . . . . . 102 I CB . 26962 1 478 . 1 1 105 105 ILE N N 15 119.018 0.067 . . . . . . 102 I N . 26962 1 479 . 1 1 106 106 LEU H H 1 6.924 0.005 . . . . . . 103 L HN . 26962 1 480 . 1 1 106 106 LEU C C 13 181.220 0.000 . . . . . . 103 L C . 26962 1 481 . 1 1 106 106 LEU CA C 13 58.597 0.013 . . . . . . 103 L CA . 26962 1 482 . 1 1 106 106 LEU CB C 13 41.153 0.015 . . . . . . 103 L CB . 26962 1 483 . 1 1 106 106 LEU N N 15 119.830 0.168 . . . . . . 103 L N . 26962 1 484 . 1 1 107 107 TYR H H 1 8.762 0.005 . . . . . . 104 Y HN . 26962 1 485 . 1 1 107 107 TYR C C 13 178.595 0.000 . . . . . . 104 Y C . 26962 1 486 . 1 1 107 107 TYR CA C 13 58.032 0.028 . . . . . . 104 Y CA . 26962 1 487 . 1 1 107 107 TYR CB C 13 37.743 0.011 . . . . . . 104 Y CB . 26962 1 488 . 1 1 107 107 TYR N N 15 116.189 0.027 . . . . . . 104 Y N . 26962 1 489 . 1 1 108 108 THR H H 1 8.148 0.035 . . . . . . 105 T HN . 26962 1 490 . 1 1 108 108 THR C C 13 176.402 0.000 . . . . . . 105 T C . 26962 1 491 . 1 1 108 108 THR CA C 13 67.325 0.080 . . . . . . 105 T CA . 26962 1 492 . 1 1 108 108 THR CB C 13 68.788 0.008 . . . . . . 105 T CB . 26962 1 493 . 1 1 108 108 THR N N 15 114.208 0.045 . . . . . . 105 T N . 26962 1 494 . 1 1 109 109 VAL H H 1 7.893 0.030 . . . . . . 106 V HN . 26962 1 495 . 1 1 109 109 VAL C C 13 179.100 0.000 . . . . . . 106 V C . 26962 1 496 . 1 1 109 109 VAL CA C 13 66.513 0.040 . . . . . . 106 V CA . 26962 1 497 . 1 1 109 109 VAL CB C 13 30.999 0.018 . . . . . . 106 V CB . 26962 1 498 . 1 1 109 109 VAL N N 15 120.753 0.117 . . . . . . 106 V N . 26962 1 499 . 1 1 110 110 SER H H 1 6.948 0.006 . . . . . . 107 S HN . 26962 1 500 . 1 1 110 110 SER C C 13 176.981 0.000 . . . . . . 107 S C . 26962 1 501 . 1 1 110 110 SER CA C 13 64.666 0.053 . . . . . . 107 S CA . 26962 1 502 . 1 1 110 110 SER CB C 13 63.913 0.027 . . . . . . 107 S CB . 26962 1 503 . 1 1 110 110 SER N N 15 113.479 0.050 . . . . . . 107 S N . 26962 1 504 . 1 1 111 111 ARG H H 1 8.837 0.020 . . . . . . 108 R HN . 26962 1 505 . 1 1 111 111 ARG C C 13 179.547 0.000 . . . . . . 108 R C . 26962 1 506 . 1 1 111 111 ARG CA C 13 59.833 0.018 . . . . . . 108 R CA . 26962 1 507 . 1 1 111 111 ARG CB C 13 29.818 0.035 . . . . . . 108 R CB . 26962 1 508 . 1 1 111 111 ARG N N 15 124.743 0.036 . . . . . . 108 R N . 26962 1 509 . 1 1 112 112 ASP H H 1 8.149 0.033 . . . . . . 109 D HN . 26962 1 510 . 1 1 112 112 ASP C C 13 177.174 0.000 . . . . . . 109 D C . 26962 1 511 . 1 1 112 112 ASP CA C 13 56.452 0.022 . . . . . . 109 D CA . 26962 1 512 . 1 1 112 112 ASP CB C 13 39.699 0.027 . . . . . . 109 D CB . 26962 1 513 . 1 1 112 112 ASP N N 15 118.608 0.028 . . . . . . 109 D N . 26962 1 514 . 1 1 113 113 LEU H H 1 7.309 0.004 . . . . . . 110 L HN . 26962 1 515 . 1 1 113 113 LEU C C 13 177.388 0.000 . . . . . . 110 L C . 26962 1 516 . 1 1 113 113 LEU CA C 13 55.779 0.015 . . . . . . 110 L CA . 26962 1 517 . 1 1 113 113 LEU CB C 13 42.901 0.020 . . . . . . 110 L CB . 26962 1 518 . 1 1 113 113 LEU N N 15 118.601 0.013 . . . . . . 110 L N . 26962 1 519 . 1 1 114 114 ASN H H 1 7.988 0.012 . . . . . . 111 N HN . 26962 1 520 . 1 1 114 114 ASN C C 13 177.971 0.000 . . . . . . 111 N C . 26962 1 521 . 1 1 114 114 ASN CA C 13 53.548 0.022 . . . . . . 111 N CA . 26962 1 522 . 1 1 114 114 ASN CB C 13 37.024 0.027 . . . . . . 111 N CB . 26962 1 523 . 1 1 114 114 ASN N N 15 118.427 0.018 . . . . . . 111 N N . 26962 1 524 . 1 1 115 115 LEU H H 1 9.878 0.022 . . . . . . 112 L HN . 26962 1 525 . 1 1 115 115 LEU C C 13 178.420 0.000 . . . . . . 112 L C . 26962 1 526 . 1 1 115 115 LEU CA C 13 58.884 0.021 . . . . . . 112 L CA . 26962 1 527 . 1 1 115 115 LEU CB C 13 43.842 0.009 . . . . . . 112 L CB . 26962 1 528 . 1 1 115 115 LEU N N 15 120.450 0.022 . . . . . . 112 L N . 26962 1 529 . 1 1 116 116 PHE H H 1 7.486 0.008 . . . . . . 113 F HN . 26962 1 530 . 1 1 116 116 PHE C C 13 178.460 0.000 . . . . . . 113 F C . 26962 1 531 . 1 1 116 116 PHE CA C 13 61.362 0.017 . . . . . . 113 F CA . 26962 1 532 . 1 1 116 116 PHE CB C 13 37.350 0.050 . . . . . . 113 F CB . 26962 1 533 . 1 1 116 116 PHE N N 15 114.898 0.022 . . . . . . 113 F N . 26962 1 534 . 1 1 117 117 ASN H H 1 7.754 0.013 . . . . . . 114 N HN . 26962 1 535 . 1 1 117 117 ASN C C 13 177.502 0.000 . . . . . . 114 N C . 26962 1 536 . 1 1 117 117 ASN CA C 13 55.473 0.016 . . . . . . 114 N CA . 26962 1 537 . 1 1 117 117 ASN CB C 13 39.059 0.023 . . . . . . 114 N CB . 26962 1 538 . 1 1 117 117 ASN N N 15 115.263 0.023 . . . . . . 114 N N . 26962 1 539 . 1 1 118 118 THR H H 1 8.317 0.015 . . . . . . 115 T HN . 26962 1 540 . 1 1 118 118 THR C C 13 175.354 0.000 . . . . . . 115 T C . 26962 1 541 . 1 1 118 118 THR CA C 13 66.715 0.027 . . . . . . 115 T CA . 26962 1 542 . 1 1 118 118 THR CB C 13 68.998 0.119 . . . . . . 115 T CB . 26962 1 543 . 1 1 118 118 THR N N 15 115.304 0.026 . . . . . . 115 T N . 26962 1 544 . 1 1 119 119 PHE H H 1 7.645 0.008 . . . . . . 116 F HN . 26962 1 545 . 1 1 119 119 PHE C C 13 173.607 0.000 . . . . . . 116 F C . 26962 1 546 . 1 1 119 119 PHE CA C 13 59.030 0.018 . . . . . . 116 F CA . 26962 1 547 . 1 1 119 119 PHE CB C 13 39.159 0.006 . . . . . . 116 F CB . 26962 1 548 . 1 1 119 119 PHE N N 15 115.311 0.021 . . . . . . 116 F N . 26962 1 549 . 1 1 120 120 GLU H H 1 7.527 0.006 . . . . . . 117 E HN . 26962 1 550 . 1 1 120 120 GLU C C 13 175.368 0.000 . . . . . . 117 E C . 26962 1 551 . 1 1 120 120 GLU CA C 13 57.279 0.047 . . . . . . 117 E CA . 26962 1 552 . 1 1 120 120 GLU CB C 13 27.051 0.028 . . . . . . 117 E CB . 26962 1 553 . 1 1 120 120 GLU N N 15 118.910 0.004 . . . . . . 117 E N . 26962 1 554 . 1 1 121 121 VAL H H 1 8.017 0.029 . . . . . . 118 V HN . 26962 1 555 . 1 1 121 121 VAL C C 13 174.915 0.000 . . . . . . 118 V C . 26962 1 556 . 1 1 121 121 VAL CA C 13 58.670 0.041 . . . . . . 118 V CA . 26962 1 557 . 1 1 121 121 VAL CB C 13 36.041 0.018 . . . . . . 118 V CB . 26962 1 558 . 1 1 121 121 VAL N N 15 109.720 0.046 . . . . . . 118 V N . 26962 1 559 . 1 1 122 122 ASP H H 1 8.820 0.003 . . . . . . 119 D HN . 26962 1 560 . 1 1 122 122 ASP C C 13 175.675 0.000 . . . . . . 119 D C . 26962 1 561 . 1 1 122 122 ASP CA C 13 54.277 0.039 . . . . . . 119 D CA . 26962 1 562 . 1 1 122 122 ASP CB C 13 42.493 0.033 . . . . . . 119 D CB . 26962 1 563 . 1 1 122 122 ASP N N 15 117.623 0.062 . . . . . . 119 D N . 26962 1 564 . 1 1 123 123 LEU H H 1 7.279 0.004 . . . . . . 120 L HN . 26962 1 565 . 1 1 123 123 LEU C C 13 175.530 0.000 . . . . . . 120 L C . 26962 1 566 . 1 1 123 123 LEU CA C 13 54.901 0.029 . . . . . . 120 L CA . 26962 1 567 . 1 1 123 123 LEU CB C 13 46.726 0.005 . . . . . . 120 L CB . 26962 1 568 . 1 1 123 123 LEU N N 15 119.137 0.028 . . . . . . 120 L N . 26962 1 569 . 1 1 124 124 ILE H H 1 9.016 0.006 . . . . . . 121 I HN . 26962 1 570 . 1 1 124 124 ILE C C 13 173.885 0.000 . . . . . . 121 I C . 26962 1 571 . 1 1 124 124 ILE CA C 13 60.246 0.060 . . . . . . 121 I CA . 26962 1 572 . 1 1 124 124 ILE CB C 13 42.798 0.086 . . . . . . 121 I CB . 26962 1 573 . 1 1 124 124 ILE N N 15 122.727 0.059 . . . . . . 121 I N . 26962 1 574 . 1 1 125 125 MET H H 1 7.993 0.017 . . . . . . 122 M HN . 26962 1 575 . 1 1 125 125 MET C C 13 173.027 0.000 . . . . . . 122 M C . 26962 1 576 . 1 1 125 125 MET CA C 13 54.911 0.022 . . . . . . 122 M CA . 26962 1 577 . 1 1 125 125 MET CB C 13 33.335 0.106 . . . . . . 122 M CB . 26962 1 578 . 1 1 125 125 MET N N 15 126.528 0.066 . . . . . . 122 M N . 26962 1 579 . 1 1 126 126 GLU H H 1 9.157 0.006 . . . . . . 123 E HN . 26962 1 580 . 1 1 126 126 GLU C C 13 174.894 0.000 . . . . . . 123 E C . 26962 1 581 . 1 1 126 126 GLU CA C 13 53.722 0.013 . . . . . . 123 E CA . 26962 1 582 . 1 1 126 126 GLU CB C 13 33.664 0.015 . . . . . . 123 E CB . 26962 1 583 . 1 1 126 126 GLU N N 15 127.532 0.198 . . . . . . 123 E N . 26962 1 584 . 1 1 127 127 CYS H H 1 8.172 0.075 . . . . . . 124 C HN . 26962 1 585 . 1 1 127 127 CYS C C 13 175.763 0.000 . . . . . . 124 C C . 26962 1 586 . 1 1 127 127 CYS CA C 13 58.446 0.010 . . . . . . 124 C CA . 26962 1 587 . 1 1 127 127 CYS CB C 13 27.244 0.047 . . . . . . 124 C CB . 26962 1 588 . 1 1 127 127 CYS N N 15 127.988 0.273 . . . . . . 124 C N . 26962 1 589 . 1 1 128 128 ARG H H 1 8.723 0.115 . . . . . . 125 R HN . 26962 1 590 . 1 1 128 128 ARG C C 13 175.827 0.000 . . . . . . 125 R C . 26962 1 591 . 1 1 128 128 ARG CA C 13 59.684 0.021 . . . . . . 125 R CA . 26962 1 592 . 1 1 128 128 ARG CB C 13 31.347 0.012 . . . . . . 125 R CB . 26962 1 593 . 1 1 128 128 ARG N N 15 129.299 0.412 . . . . . . 125 R N . 26962 1 594 . 1 1 129 129 ILE H H 1 7.315 0.056 . . . . . . 126 I HN . 26962 1 595 . 1 1 129 129 ILE C C 13 174.262 0.000 . . . . . . 126 I C . 26962 1 596 . 1 1 129 129 ILE CA C 13 60.717 0.017 . . . . . . 126 I CA . 26962 1 597 . 1 1 129 129 ILE CB C 13 44.584 0.032 . . . . . . 126 I CB . 26962 1 598 . 1 1 129 129 ILE N N 15 116.306 0.747 . . . . . . 126 I N . 26962 1 599 . 1 1 130 130 ILE H H 1 7.784 0.040 . . . . . . 127 I HN . 26962 1 600 . 1 1 130 130 ILE C C 13 173.591 0.000 . . . . . . 127 I C . 26962 1 601 . 1 1 130 130 ILE CA C 13 59.540 0.031 . . . . . . 127 I CA . 26962 1 602 . 1 1 130 130 ILE CB C 13 39.575 0.014 . . . . . . 127 I CB . 26962 1 603 . 1 1 130 130 ILE N N 15 125.390 0.211 . . . . . . 127 I N . 26962 1 604 . 1 1 131 131 SER H H 1 8.679 0.031 . . . . . . 128 S HN . 26962 1 605 . 1 1 131 131 SER CA C 13 55.925 0.015 . . . . . . 128 S CA . 26962 1 606 . 1 1 131 131 SER CB C 13 64.477 0.000 . . . . . . 128 S CB . 26962 1 607 . 1 1 131 131 SER N N 15 120.995 0.224 . . . . . . 128 S N . 26962 1 608 . 1 1 132 132 VAL C C 13 175.271 0.000 . . . . . . 129 V C . 26962 1 609 . 1 1 132 132 VAL CA C 13 61.182 0.012 . . . . . . 129 V CA . 26962 1 610 . 1 1 132 132 VAL CB C 13 36.840 0.000 . . . . . . 129 V CB . 26962 1 611 . 1 1 133 133 HIS H H 1 9.167 0.049 . . . . . . 130 H HN . 26962 1 612 . 1 1 133 133 HIS C C 13 176.669 0.000 . . . . . . 130 H C . 26962 1 613 . 1 1 133 133 HIS CA C 13 58.779 0.015 . . . . . . 130 H CA . 26962 1 614 . 1 1 133 133 HIS CB C 13 32.224 0.050 . . . . . . 130 H CB . 26962 1 615 . 1 1 133 133 HIS N N 15 126.963 0.609 . . . . . . 130 H N . 26962 1 616 . 1 1 134 134 GLU H H 1 8.679 0.021 . . . . . . 131 E HN . 26962 1 617 . 1 1 134 134 GLU CA C 13 60.206 0.036 . . . . . . 131 E CA . 26962 1 618 . 1 1 134 134 GLU CB C 13 29.762 0.000 . . . . . . 131 E CB . 26962 1 619 . 1 1 134 134 GLU N N 15 127.771 0.135 . . . . . . 131 E N . 26962 1 620 . 1 1 135 135 ASN C C 13 175.679 0.000 . . . . . . 132 N C . 26962 1 621 . 1 1 135 135 ASN CA C 13 54.630 0.014 . . . . . . 132 N CA . 26962 1 622 . 1 1 135 135 ASN CB C 13 38.245 0.017 . . . . . . 132 N CB . 26962 1 623 . 1 1 136 136 ALA H H 1 8.537 0.101 . . . . . . 133 A HN . 26962 1 624 . 1 1 136 136 ALA C C 13 176.850 0.000 . . . . . . 133 A C . 26962 1 625 . 1 1 136 136 ALA CA C 13 51.256 0.021 . . . . . . 133 A CA . 26962 1 626 . 1 1 136 136 ALA CB C 13 20.470 0.010 . . . . . . 133 A CB . 26962 1 627 . 1 1 136 136 ALA N N 15 121.576 0.039 . . . . . . 133 A N . 26962 1 628 . 1 1 137 137 ARG H H 1 7.193 0.146 . . . . . . 134 R HN . 26962 1 629 . 1 1 137 137 ARG CA C 13 58.145 0.005 . . . . . . 134 R CA . 26962 1 630 . 1 1 137 137 ARG CB C 13 30.993 0.000 . . . . . . 134 R CB . 26962 1 631 . 1 1 137 137 ARG N N 15 119.831 0.159 . . . . . . 134 R N . 26962 1 632 . 1 1 138 138 GLY C C 13 175.191 0.000 . . . . . . 135 G C . 26962 1 633 . 1 1 138 138 GLY CA C 13 46.183 0.020 . . . . . . 135 G CA . 26962 1 634 . 1 1 139 139 ARG H H 1 8.623 0.091 . . . . . . 136 R HN . 26962 1 635 . 1 1 139 139 ARG CA C 13 55.453 0.010 . . . . . . 136 R CA . 26962 1 636 . 1 1 139 139 ARG CB C 13 31.654 0.000 . . . . . . 136 R CB . 26962 1 637 . 1 1 139 139 ARG N N 15 118.750 0.517 . . . . . . 136 R N . 26962 1 638 . 1 1 140 140 GLY C C 13 176.397 0.000 . . . . . . 137 G C . 26962 1 639 . 1 1 140 140 GLY CA C 13 46.315 0.011 . . . . . . 137 G CA . 26962 1 640 . 1 1 141 141 LEU H H 1 8.728 0.261 . . . . . . 138 L HN . 26962 1 641 . 1 1 141 141 LEU C C 13 177.875 0.000 . . . . . . 138 L C . 26962 1 642 . 1 1 141 141 LEU CA C 13 58.139 0.020 . . . . . . 138 L CA . 26962 1 643 . 1 1 141 141 LEU CB C 13 42.376 0.016 . . . . . . 138 L CB . 26962 1 644 . 1 1 141 141 LEU N N 15 121.945 0.622 . . . . . . 138 L N . 26962 1 645 . 1 1 142 142 ALA H H 1 8.521 0.033 . . . . . . 139 A HN . 26962 1 646 . 1 1 142 142 ALA C C 13 178.620 0.000 . . . . . . 139 A C . 26962 1 647 . 1 1 142 142 ALA CA C 13 56.215 0.025 . . . . . . 139 A CA . 26962 1 648 . 1 1 142 142 ALA CB C 13 18.564 0.005 . . . . . . 139 A CB . 26962 1 649 . 1 1 142 142 ALA N N 15 121.609 0.055 . . . . . . 139 A N . 26962 1 650 . 1 1 143 143 LYS H H 1 8.064 0.050 . . . . . . 140 K HN . 26962 1 651 . 1 1 143 143 LYS C C 13 177.597 0.000 . . . . . . 140 K C . 26962 1 652 . 1 1 143 143 LYS CA C 13 59.754 0.032 . . . . . . 140 K CA . 26962 1 653 . 1 1 143 143 LYS CB C 13 32.405 0.013 . . . . . . 140 K CB . 26962 1 654 . 1 1 143 143 LYS N N 15 117.130 0.268 . . . . . . 140 K N . 26962 1 655 . 1 1 144 144 GLU H H 1 7.686 0.012 . . . . . . 141 E HN . 26962 1 656 . 1 1 144 144 GLU C C 13 178.834 0.000 . . . . . . 141 E C . 26962 1 657 . 1 1 144 144 GLU CA C 13 58.865 0.016 . . . . . . 141 E CA . 26962 1 658 . 1 1 144 144 GLU CB C 13 29.264 0.018 . . . . . . 141 E CB . 26962 1 659 . 1 1 144 144 GLU N N 15 119.098 0.109 . . . . . . 141 E N . 26962 1 660 . 1 1 145 145 LEU H H 1 8.798 0.139 . . . . . . 142 L HN . 26962 1 661 . 1 1 145 145 LEU C C 13 179.721 0.000 . . . . . . 142 L C . 26962 1 662 . 1 1 145 145 LEU CA C 13 58.311 0.011 . . . . . . 142 L CA . 26962 1 663 . 1 1 145 145 LEU CB C 13 42.390 0.031 . . . . . . 142 L CB . 26962 1 664 . 1 1 145 145 LEU N N 15 119.734 0.476 . . . . . . 142 L N . 26962 1 665 . 1 1 146 146 MET H H 1 8.104 0.003 . . . . . . 143 M HN . 26962 1 666 . 1 1 146 146 MET C C 13 177.331 0.000 . . . . . . 143 M C . 26962 1 667 . 1 1 146 146 MET CA C 13 60.044 0.063 . . . . . . 143 M CA . 26962 1 668 . 1 1 146 146 MET CB C 13 31.510 0.029 . . . . . . 143 M CB . 26962 1 669 . 1 1 146 146 MET N N 15 121.510 0.001 . . . . . . 143 M N . 26962 1 670 . 1 1 147 147 LYS H H 1 8.912 0.058 . . . . . . 144 K HN . 26962 1 671 . 1 1 147 147 LYS C C 13 179.211 0.000 . . . . . . 144 K C . 26962 1 672 . 1 1 147 147 LYS CA C 13 60.617 0.014 . . . . . . 144 K CA . 26962 1 673 . 1 1 147 147 LYS CB C 13 32.597 0.015 . . . . . . 144 K CB . 26962 1 674 . 1 1 147 147 LYS N N 15 122.728 0.087 . . . . . . 144 K N . 26962 1 675 . 1 1 148 148 ARG H H 1 8.607 0.040 . . . . . . 145 R HN . 26962 1 676 . 1 1 148 148 ARG C C 13 179.455 0.000 . . . . . . 145 R C . 26962 1 677 . 1 1 148 148 ARG CA C 13 58.786 0.010 . . . . . . 145 R CA . 26962 1 678 . 1 1 148 148 ARG CB C 13 29.501 0.009 . . . . . . 145 R CB . 26962 1 679 . 1 1 148 148 ARG N N 15 117.013 0.029 . . . . . . 145 R N . 26962 1 680 . 1 1 149 149 SER H H 1 7.601 0.029 . . . . . . 146 S HN . 26962 1 681 . 1 1 149 149 SER C C 13 174.279 0.000 . . . . . . 146 S C . 26962 1 682 . 1 1 149 149 SER CA C 13 63.475 0.042 . . . . . . 146 S CA . 26962 1 683 . 1 1 149 149 SER CB C 13 61.284 0.042 . . . . . . 146 S CB . 26962 1 684 . 1 1 149 149 SER N N 15 119.699 0.065 . . . . . . 146 S N . 26962 1 685 . 1 1 150 150 ILE H H 1 7.787 0.006 . . . . . . 147 I HN . 26962 1 686 . 1 1 150 150 ILE C C 13 177.858 0.000 . . . . . . 147 I C . 26962 1 687 . 1 1 150 150 ILE CA C 13 65.718 0.045 . . . . . . 147 I CA . 26962 1 688 . 1 1 150 150 ILE CB C 13 37.509 0.080 . . . . . . 147 I CB . 26962 1 689 . 1 1 150 150 ILE N N 15 124.849 0.121 . . . . . . 147 I N . 26962 1 690 . 1 1 151 151 ASP H H 1 7.949 0.041 . . . . . . 148 D HN . 26962 1 691 . 1 1 151 151 ASP C C 13 178.166 0.000 . . . . . . 148 D C . 26962 1 692 . 1 1 151 151 ASP CA C 13 57.500 0.016 . . . . . . 148 D CA . 26962 1 693 . 1 1 151 151 ASP CB C 13 39.915 0.018 . . . . . . 148 D CB . 26962 1 694 . 1 1 151 151 ASP N N 15 119.543 0.057 . . . . . . 148 D N . 26962 1 695 . 1 1 152 152 LEU H H 1 7.690 0.018 . . . . . . 149 L HN . 26962 1 696 . 1 1 152 152 LEU C C 13 180.113 0.000 . . . . . . 149 L C . 26962 1 697 . 1 1 152 152 LEU CA C 13 57.865 0.026 . . . . . . 149 L CA . 26962 1 698 . 1 1 152 152 LEU CB C 13 42.447 0.038 . . . . . . 149 L CB . 26962 1 699 . 1 1 152 152 LEU N N 15 121.022 0.120 . . . . . . 149 L N . 26962 1 700 . 1 1 153 153 ALA H H 1 8.229 0.007 . . . . . . 150 A HN . 26962 1 701 . 1 1 153 153 ALA C C 13 179.834 0.000 . . . . . . 150 A C . 26962 1 702 . 1 1 153 153 ALA CA C 13 55.592 0.016 . . . . . . 150 A CA . 26962 1 703 . 1 1 153 153 ALA CB C 13 18.267 0.007 . . . . . . 150 A CB . 26962 1 704 . 1 1 153 153 ALA N N 15 124.549 0.038 . . . . . . 150 A N . 26962 1 705 . 1 1 154 154 ARG H H 1 8.374 0.015 . . . . . . 151 R HN . 26962 1 706 . 1 1 154 154 ARG C C 13 181.136 0.000 . . . . . . 151 R C . 26962 1 707 . 1 1 154 154 ARG CA C 13 59.530 0.036 . . . . . . 151 R CA . 26962 1 708 . 1 1 154 154 ARG CB C 13 29.976 0.013 . . . . . . 151 R CB . 26962 1 709 . 1 1 154 154 ARG N N 15 118.990 0.042 . . . . . . 151 R N . 26962 1 710 . 1 1 155 155 ASP H H 1 8.694 0.013 . . . . . . 152 D HN . 26962 1 711 . 1 1 155 155 ASP C C 13 177.221 0.000 . . . . . . 152 D C . 26962 1 712 . 1 1 155 155 ASP CA C 13 57.139 0.017 . . . . . . 152 D CA . 26962 1 713 . 1 1 155 155 ASP CB C 13 40.633 0.003 . . . . . . 152 D CB . 26962 1 714 . 1 1 155 155 ASP N N 15 121.360 0.044 . . . . . . 152 D N . 26962 1 715 . 1 1 156 156 ASN H H 1 7.676 0.014 . . . . . . 153 N HN . 26962 1 716 . 1 1 156 156 ASN C C 13 172.482 0.000 . . . . . . 153 N C . 26962 1 717 . 1 1 156 156 ASN CA C 13 54.135 0.025 . . . . . . 153 N CA . 26962 1 718 . 1 1 156 156 ASN CB C 13 40.087 0.018 . . . . . . 153 N CB . 26962 1 719 . 1 1 156 156 ASN N N 15 115.987 0.081 . . . . . . 153 N N . 26962 1 720 . 1 1 157 157 GLU H H 1 7.889 0.012 . . . . . . 154 E HN . 26962 1 721 . 1 1 157 157 GLU C C 13 173.075 0.000 . . . . . . 154 E C . 26962 1 722 . 1 1 157 157 GLU CA C 13 57.992 0.031 . . . . . . 154 E CA . 26962 1 723 . 1 1 157 157 GLU CB C 13 26.220 0.008 . . . . . . 154 E CB . 26962 1 724 . 1 1 157 157 GLU N N 15 111.590 0.120 . . . . . . 154 E N . 26962 1 725 . 1 1 158 158 PHE H H 1 8.063 0.026 . . . . . . 155 F HN . 26962 1 726 . 1 1 158 158 PHE C C 13 176.898 0.000 . . . . . . 155 F C . 26962 1 727 . 1 1 158 158 PHE CA C 13 58.862 0.015 . . . . . . 155 F CA . 26962 1 728 . 1 1 158 158 PHE CB C 13 39.821 0.005 . . . . . . 155 F CB . 26962 1 729 . 1 1 158 158 PHE N N 15 116.939 0.456 . . . . . . 155 F N . 26962 1 730 . 1 1 159 159 LYS H H 1 9.517 0.004 . . . . . . 156 K HN . 26962 1 731 . 1 1 159 159 LYS C C 13 176.774 0.000 . . . . . . 156 K C . 26962 1 732 . 1 1 159 159 LYS CA C 13 55.693 0.147 . . . . . . 156 K CA . 26962 1 733 . 1 1 159 159 LYS CB C 13 33.316 0.104 . . . . . . 156 K CB . 26962 1 734 . 1 1 159 159 LYS N N 15 116.491 0.025 . . . . . . 156 K N . 26962 1 735 . 1 1 160 160 LEU H H 1 7.340 0.005 . . . . . . 157 L HN . 26962 1 736 . 1 1 160 160 LEU C C 13 172.551 0.000 . . . . . . 157 L C . 26962 1 737 . 1 1 160 160 LEU CA C 13 54.840 0.054 . . . . . . 157 L CA . 26962 1 738 . 1 1 160 160 LEU CB C 13 47.559 0.023 . . . . . . 157 L CB . 26962 1 739 . 1 1 160 160 LEU N N 15 120.152 0.068 . . . . . . 157 L N . 26962 1 740 . 1 1 161 161 PHE H H 1 8.560 0.005 . . . . . . 158 F HN . 26962 1 741 . 1 1 161 161 PHE C C 13 172.846 0.000 . . . . . . 158 F C . 26962 1 742 . 1 1 161 161 PHE CA C 13 55.835 0.067 . . . . . . 158 F CA . 26962 1 743 . 1 1 161 161 PHE CB C 13 43.572 0.087 . . . . . . 158 F CB . 26962 1 744 . 1 1 161 161 PHE N N 15 129.427 0.084 . . . . . . 158 F N . 26962 1 745 . 1 1 162 162 LYS H H 1 8.219 0.042 . . . . . . 159 K HN . 26962 1 746 . 1 1 162 162 LYS C C 13 172.689 0.000 . . . . . . 159 K C . 26962 1 747 . 1 1 162 162 LYS CA C 13 54.621 0.058 . . . . . . 159 K CA . 26962 1 748 . 1 1 162 162 LYS CB C 13 38.448 0.051 . . . . . . 159 K CB . 26962 1 749 . 1 1 162 162 LYS N N 15 128.733 0.043 . . . . . . 159 K N . 26962 1 750 . 1 1 163 163 VAL H H 1 9.085 0.041 . . . . . . 160 V HN . 26962 1 751 . 1 1 163 163 VAL C C 13 174.074 0.000 . . . . . . 160 V C . 26962 1 752 . 1 1 163 163 VAL CA C 13 61.375 0.067 . . . . . . 160 V CA . 26962 1 753 . 1 1 163 163 VAL CB C 13 36.667 0.059 . . . . . . 160 V CB . 26962 1 754 . 1 1 163 163 VAL N N 15 125.238 0.171 . . . . . . 160 V N . 26962 1 755 . 1 1 164 164 ASP H H 1 8.895 0.045 . . . . . . 161 D HN . 26962 1 756 . 1 1 164 164 ASP C C 13 173.592 0.000 . . . . . . 161 D C . 26962 1 757 . 1 1 164 164 ASP CA C 13 53.570 0.051 . . . . . . 161 D CA . 26962 1 758 . 1 1 164 164 ASP CB C 13 39.925 0.019 . . . . . . 161 D CB . 26962 1 759 . 1 1 164 164 ASP N N 15 128.842 0.328 . . . . . . 161 D N . 26962 1 760 . 1 1 165 165 ALA H H 1 8.716 0.099 . . . . . . 162 A HN . 26962 1 761 . 1 1 165 165 ALA C C 13 177.926 0.000 . . . . . . 162 A C . 26962 1 762 . 1 1 165 165 ALA CA C 13 51.160 0.073 . . . . . . 162 A CA . 26962 1 763 . 1 1 165 165 ALA CB C 13 19.078 0.074 . . . . . . 162 A CB . 26962 1 764 . 1 1 165 165 ALA N N 15 128.806 0.784 . . . . . . 162 A N . 26962 1 765 . 1 1 166 166 THR H H 1 8.320 0.004 . . . . . . 163 T HN . 26962 1 766 . 1 1 166 166 THR C C 13 173.791 0.000 . . . . . . 163 T C . 26962 1 767 . 1 1 166 166 THR CA C 13 62.886 0.069 . . . . . . 163 T CA . 26962 1 768 . 1 1 166 166 THR CB C 13 69.800 0.119 . . . . . . 163 T CB . 26962 1 769 . 1 1 166 166 THR N N 15 116.851 0.015 . . . . . . 163 T N . 26962 1 770 . 1 1 167 167 GLY H H 1 7.039 0.052 . . . . . . 164 G HN . 26962 1 771 . 1 1 167 167 GLY C C 13 172.584 0.000 . . . . . . 164 G C . 26962 1 772 . 1 1 167 167 GLY CA C 13 44.568 0.082 . . . . . . 164 G CA . 26962 1 773 . 1 1 167 167 GLY N N 15 103.487 0.213 . . . . . . 164 G N . 26962 1 774 . 1 1 168 168 ALA H H 1 9.685 0.097 . . . . . . 165 A HN . 26962 1 775 . 1 1 168 168 ALA C C 13 180.298 0.000 . . . . . . 165 A C . 26962 1 776 . 1 1 168 168 ALA CA C 13 55.247 0.048 . . . . . . 165 A CA . 26962 1 777 . 1 1 168 168 ALA CB C 13 18.571 0.007 . . . . . . 165 A CB . 26962 1 778 . 1 1 168 168 ALA N N 15 123.751 0.317 . . . . . . 165 A N . 26962 1 779 . 1 1 169 169 PHE H H 1 9.188 0.002 . . . . . . 166 F HN . 26962 1 780 . 1 1 169 169 PHE C C 13 177.194 0.000 . . . . . . 166 F C . 26962 1 781 . 1 1 169 169 PHE CA C 13 61.655 0.063 . . . . . . 166 F CA . 26962 1 782 . 1 1 169 169 PHE CB C 13 38.635 0.102 . . . . . . 166 F CB . 26962 1 783 . 1 1 169 169 PHE N N 15 120.091 0.017 . . . . . . 166 F N . 26962 1 784 . 1 1 170 170 SER H H 1 8.723 0.080 . . . . . . 167 S HN . 26962 1 785 . 1 1 170 170 SER C C 13 178.373 0.000 . . . . . . 167 S C . 26962 1 786 . 1 1 170 170 SER CA C 13 61.305 0.102 . . . . . . 167 S CA . 26962 1 787 . 1 1 170 170 SER CB C 13 62.511 0.099 . . . . . . 167 S CB . 26962 1 788 . 1 1 170 170 SER N N 15 114.081 0.516 . . . . . . 167 S N . 26962 1 789 . 1 1 171 171 GLN H H 1 8.434 0.070 . . . . . . 168 Q HN . 26962 1 790 . 1 1 171 171 GLN C C 13 177.447 0.000 . . . . . . 168 Q C . 26962 1 791 . 1 1 171 171 GLN CA C 13 60.686 0.088 . . . . . . 168 Q CA . 26962 1 792 . 1 1 171 171 GLN CB C 13 26.971 0.044 . . . . . . 168 Q CB . 26962 1 793 . 1 1 171 171 GLN N N 15 121.553 0.474 . . . . . . 168 Q N . 26962 1 794 . 1 1 172 172 ARG H H 1 8.297 0.037 . . . . . . 169 R HN . 26962 1 795 . 1 1 172 172 ARG C C 13 179.905 0.000 . . . . . . 169 R C . 26962 1 796 . 1 1 172 172 ARG CA C 13 59.951 0.058 . . . . . . 169 R CA . 26962 1 797 . 1 1 172 172 ARG CB C 13 29.967 0.024 . . . . . . 169 R CB . 26962 1 798 . 1 1 172 172 ARG N N 15 119.791 0.063 . . . . . . 169 R N . 26962 1 799 . 1 1 173 173 ILE H H 1 7.798 0.077 . . . . . . 170 I HN . 26962 1 800 . 1 1 173 173 ILE C C 13 179.376 0.000 . . . . . . 170 I C . 26962 1 801 . 1 1 173 173 ILE CA C 13 64.131 0.056 . . . . . . 170 I CA . 26962 1 802 . 1 1 173 173 ILE CB C 13 36.805 0.034 . . . . . . 170 I CB . 26962 1 803 . 1 1 173 173 ILE N N 15 120.123 0.062 . . . . . . 170 I N . 26962 1 804 . 1 1 174 174 CYS H H 1 8.202 0.143 . . . . . . 171 C HN . 26962 1 805 . 1 1 174 174 CYS C C 13 177.588 0.000 . . . . . . 171 C C . 26962 1 806 . 1 1 174 174 CYS CA C 13 64.350 0.041 . . . . . . 171 C CA . 26962 1 807 . 1 1 174 174 CYS CB C 13 27.863 0.031 . . . . . . 171 C CB . 26962 1 808 . 1 1 174 174 CYS N N 15 117.199 0.377 . . . . . . 171 C N . 26962 1 809 . 1 1 175 175 ARG H H 1 8.449 0.044 . . . . . . 172 R HN . 26962 1 810 . 1 1 175 175 ARG C C 13 180.452 0.000 . . . . . . 172 R C . 26962 1 811 . 1 1 175 175 ARG CA C 13 59.886 0.019 . . . . . . 172 R CA . 26962 1 812 . 1 1 175 175 ARG CB C 13 29.790 0.038 . . . . . . 172 R CB . 26962 1 813 . 1 1 175 175 ARG N N 15 119.048 0.141 . . . . . . 172 R N . 26962 1 814 . 1 1 176 176 SER H H 1 8.225 0.092 . . . . . . 173 S HN . 26962 1 815 . 1 1 176 176 SER C C 13 174.970 0.000 . . . . . . 173 S C . 26962 1 816 . 1 1 176 176 SER CA C 13 61.411 0.092 . . . . . . 173 S CA . 26962 1 817 . 1 1 176 176 SER CB C 13 62.911 0.119 . . . . . . 173 S CB . 26962 1 818 . 1 1 176 176 SER N N 15 117.628 0.066 . . . . . . 173 S N . 26962 1 819 . 1 1 177 177 LEU H H 1 7.192 0.035 . . . . . . 174 L HN . 26962 1 820 . 1 1 177 177 LEU C C 13 174.719 0.000 . . . . . . 174 L C . 26962 1 821 . 1 1 177 177 LEU CA C 13 54.244 0.054 . . . . . . 174 L CA . 26962 1 822 . 1 1 177 177 LEU CB C 13 41.834 0.048 . . . . . . 174 L CB . 26962 1 823 . 1 1 177 177 LEU N N 15 123.271 0.308 . . . . . . 174 L N . 26962 1 824 . 1 1 178 178 SER H H 1 7.690 0.011 . . . . . . 175 S HN . 26962 1 825 . 1 1 178 178 SER C C 13 174.735 0.000 . . . . . . 175 S C . 26962 1 826 . 1 1 178 178 SER CA C 13 59.847 0.107 . . . . . . 175 S CA . 26962 1 827 . 1 1 178 178 SER CB C 13 60.997 0.082 . . . . . . 175 S CB . 26962 1 828 . 1 1 178 178 SER N N 15 107.396 0.030 . . . . . . 175 S N . 26962 1 829 . 1 1 179 179 LEU H H 1 7.620 0.080 . . . . . . 176 L HN . 26962 1 830 . 1 1 179 179 LEU C C 13 175.995 0.000 . . . . . . 176 L C . 26962 1 831 . 1 1 179 179 LEU CA C 13 58.215 0.051 . . . . . . 176 L CA . 26962 1 832 . 1 1 179 179 LEU CB C 13 41.906 0.055 . . . . . . 176 L CB . 26962 1 833 . 1 1 179 179 LEU N N 15 120.231 0.116 . . . . . . 176 L N . 26962 1 834 . 1 1 180 180 GLU H H 1 9.280 0.012 . . . . . . 177 E HN . 26962 1 835 . 1 1 180 180 GLU C C 13 175.927 0.000 . . . . . . 177 E C . 26962 1 836 . 1 1 180 180 GLU CA C 13 54.762 0.076 . . . . . . 177 E CA . 26962 1 837 . 1 1 180 180 GLU CB C 13 32.388 0.033 . . . . . . 177 E CB . 26962 1 838 . 1 1 180 180 GLU N N 15 119.472 0.035 . . . . . . 177 E N . 26962 1 839 . 1 1 181 181 GLU H H 1 8.768 0.010 . . . . . . 178 E HN . 26962 1 840 . 1 1 181 181 GLU C C 13 175.640 0.000 . . . . . . 178 E C . 26962 1 841 . 1 1 181 181 GLU CA C 13 56.196 0.059 . . . . . . 178 E CA . 26962 1 842 . 1 1 181 181 GLU CB C 13 31.153 0.042 . . . . . . 178 E CB . 26962 1 843 . 1 1 181 181 GLU N N 15 124.604 0.058 . . . . . . 178 E N . 26962 1 844 . 1 1 182 182 LEU H H 1 9.146 0.013 . . . . . . 179 L HN . 26962 1 845 . 1 1 182 182 LEU C C 13 176.407 0.000 . . . . . . 179 L C . 26962 1 846 . 1 1 182 182 LEU CA C 13 55.686 0.050 . . . . . . 179 L CA . 26962 1 847 . 1 1 182 182 LEU CB C 13 44.247 0.022 . . . . . . 179 L CB . 26962 1 848 . 1 1 182 182 LEU N N 15 129.724 0.231 . . . . . . 179 L N . 26962 1 849 . 1 1 183 183 LYS H H 1 7.235 0.015 . . . . . . 180 K HN . 26962 1 850 . 1 1 183 183 LYS C C 13 173.174 0.000 . . . . . . 180 K C . 26962 1 851 . 1 1 183 183 LYS CA C 13 55.087 0.042 . . . . . . 180 K CA . 26962 1 852 . 1 1 183 183 LYS CB C 13 37.211 0.067 . . . . . . 180 K CB . 26962 1 853 . 1 1 183 183 LYS N N 15 116.567 0.120 . . . . . . 180 K N . 26962 1 854 . 1 1 184 184 SER H H 1 8.475 0.012 . . . . . . 181 S HN . 26962 1 855 . 1 1 184 184 SER C C 13 173.827 0.000 . . . . . . 181 S C . 26962 1 856 . 1 1 184 184 SER CA C 13 56.102 0.054 . . . . . . 181 S CA . 26962 1 857 . 1 1 184 184 SER CB C 13 65.129 0.083 . . . . . . 181 S CB . 26962 1 858 . 1 1 184 184 SER N N 15 120.857 0.061 . . . . . . 181 S N . 26962 1 859 . 1 1 185 185 VAL H H 1 9.040 0.009 . . . . . . 182 V HN . 26962 1 860 . 1 1 185 185 VAL C C 13 174.513 0.000 . . . . . . 182 V C . 26962 1 861 . 1 1 185 185 VAL CA C 13 60.909 0.062 . . . . . . 182 V CA . 26962 1 862 . 1 1 185 185 VAL CB C 13 34.689 0.035 . . . . . . 182 V CB . 26962 1 863 . 1 1 185 185 VAL N N 15 126.087 0.078 . . . . . . 182 V N . 26962 1 864 . 1 1 186 186 ARG H H 1 8.780 0.003 . . . . . . 183 R HN . 26962 1 865 . 1 1 186 186 ARG C C 13 178.671 0.000 . . . . . . 183 R C . 26962 1 866 . 1 1 186 186 ARG CA C 13 56.261 0.063 . . . . . . 183 R CA . 26962 1 867 . 1 1 186 186 ARG CB C 13 31.095 0.066 . . . . . . 183 R CB . 26962 1 868 . 1 1 186 186 ARG N N 15 125.797 0.055 . . . . . . 183 R N . 26962 1 869 . 1 1 187 187 TYR H H 1 7.862 0.011 . . . . . . 184 Y HN . 26962 1 870 . 1 1 187 187 TYR C C 13 178.299 0.000 . . . . . . 184 Y C . 26962 1 871 . 1 1 187 187 TYR CA C 13 60.862 0.066 . . . . . . 184 Y CA . 26962 1 872 . 1 1 187 187 TYR CB C 13 37.105 0.065 . . . . . . 184 Y CB . 26962 1 873 . 1 1 187 187 TYR N N 15 123.910 0.075 . . . . . . 184 Y N . 26962 1 874 . 1 1 188 188 ASP H H 1 8.912 0.011 . . . . . . 185 D HN . 26962 1 875 . 1 1 188 188 ASP C C 13 176.206 0.000 . . . . . . 185 D C . 26962 1 876 . 1 1 188 188 ASP CA C 13 55.053 0.072 . . . . . . 185 D CA . 26962 1 877 . 1 1 188 188 ASP CB C 13 39.646 0.074 . . . . . . 185 D CB . 26962 1 878 . 1 1 188 188 ASP N N 15 115.508 0.126 . . . . . . 185 D N . 26962 1 879 . 1 1 189 189 GLU H H 1 7.456 0.028 . . . . . . 186 E HN . 26962 1 880 . 1 1 189 189 GLU C C 13 175.775 0.324 . . . . . . 186 E C . 26962 1 881 . 1 1 189 189 GLU CA C 13 56.015 0.044 . . . . . . 186 E CA . 26962 1 882 . 1 1 189 189 GLU CB C 13 31.159 0.078 . . . . . . 186 E CB . 26962 1 883 . 1 1 189 189 GLU N N 15 115.875 0.035 . . . . . . 186 E N . 26962 1 884 . 1 1 190 190 TYR H H 1 7.500 0.025 . . . . . . 187 Y HN . 26962 1 885 . 1 1 190 190 TYR C C 13 180.070 0.000 . . . . . . 187 Y C . 26962 1 886 . 1 1 190 190 TYR CA C 13 57.981 0.054 . . . . . . 187 Y CA . 26962 1 887 . 1 1 190 190 TYR CB C 13 37.195 0.029 . . . . . . 187 Y CB . 26962 1 888 . 1 1 190 190 TYR N N 15 125.117 0.306 . . . . . . 187 Y N . 26962 1 889 . 1 1 191 191 CYS H H 1 8.258 0.021 . . . . . . 188 C HN . 26962 1 890 . 1 1 191 191 CYS C C 13 174.011 0.000 . . . . . . 188 C C . 26962 1 891 . 1 1 191 191 CYS CA C 13 57.261 0.023 . . . . . . 188 C CA . 26962 1 892 . 1 1 191 191 CYS CB C 13 32.098 0.042 . . . . . . 188 C CB . 26962 1 893 . 1 1 191 191 CYS N N 15 124.199 0.092 . . . . . . 188 C N . 26962 1 894 . 1 1 192 192 ASP H H 1 8.116 0.021 . . . . . . 189 D HN . 26962 1 895 . 1 1 192 192 ASP C C 13 177.870 0.000 . . . . . . 189 D C . 26962 1 896 . 1 1 192 192 ASP CA C 13 52.470 0.020 . . . . . . 189 D CA . 26962 1 897 . 1 1 192 192 ASP CB C 13 40.973 0.024 . . . . . . 189 D CB . 26962 1 898 . 1 1 192 192 ASP N N 15 120.176 0.019 . . . . . . 189 D N . 26962 1 899 . 1 1 193 193 GLU H H 1 8.937 0.009 . . . . . . 190 E HN . 26962 1 900 . 1 1 193 193 GLU C C 13 177.303 0.000 . . . . . . 190 E C . 26962 1 901 . 1 1 193 193 GLU CA C 13 59.262 0.055 . . . . . . 190 E CA . 26962 1 902 . 1 1 193 193 GLU CB C 13 28.966 0.002 . . . . . . 190 E CB . 26962 1 903 . 1 1 193 193 GLU N N 15 117.921 0.005 . . . . . . 190 E N . 26962 1 904 . 1 1 194 194 SER H H 1 8.329 0.012 . . . . . . 191 S HN . 26962 1 905 . 1 1 194 194 SER C C 13 174.965 0.000 . . . . . . 191 S C . 26962 1 906 . 1 1 194 194 SER CA C 13 58.773 0.032 . . . . . . 191 S CA . 26962 1 907 . 1 1 194 194 SER CB C 13 64.631 0.046 . . . . . . 191 S CB . 26962 1 908 . 1 1 194 194 SER N N 15 115.469 0.042 . . . . . . 191 S N . 26962 1 909 . 1 1 195 195 GLY H H 1 8.181 0.013 . . . . . . 192 G HN . 26962 1 910 . 1 1 195 195 GLY C C 13 173.731 0.000 . . . . . . 192 G C . 26962 1 911 . 1 1 195 195 GLY CA C 13 45.262 0.068 . . . . . . 192 G CA . 26962 1 912 . 1 1 195 195 GLY N N 15 109.875 0.049 . . . . . . 192 G N . 26962 1 913 . 1 1 196 196 THR H H 1 7.877 0.017 . . . . . . 193 T HN . 26962 1 914 . 1 1 196 196 THR CA C 13 60.206 0.026 . . . . . . 193 T CA . 26962 1 915 . 1 1 196 196 THR CB C 13 69.629 0.000 . . . . . . 193 T CB . 26962 1 916 . 1 1 196 196 THR N N 15 119.860 0.040 . . . . . . 193 T N . 26962 1 917 . 1 1 197 197 PRO C C 13 176.850 0.000 . . . . . . 194 P C . 26962 1 918 . 1 1 197 197 PRO CA C 13 63.975 0.011 . . . . . . 194 P CA . 26962 1 919 . 1 1 197 197 PRO CB C 13 32.239 0.001 . . . . . . 194 P CB . 26962 1 920 . 1 1 198 198 ILE H H 1 8.184 0.019 . . . . . . 195 I HN . 26962 1 921 . 1 1 198 198 ILE C C 13 175.774 0.000 . . . . . . 195 I C . 26962 1 922 . 1 1 198 198 ILE CA C 13 63.865 0.023 . . . . . . 195 I CA . 26962 1 923 . 1 1 198 198 ILE CB C 13 38.394 0.019 . . . . . . 195 I CB . 26962 1 924 . 1 1 198 198 ILE N N 15 126.290 0.257 . . . . . . 195 I N . 26962 1 925 . 1 1 199 199 PHE H H 1 9.589 0.083 . . . . . . 196 F HN . 26962 1 926 . 1 1 199 199 PHE C C 13 174.282 0.000 . . . . . . 196 F C . 26962 1 927 . 1 1 199 199 PHE CA C 13 55.822 0.046 . . . . . . 196 F CA . 26962 1 928 . 1 1 199 199 PHE CB C 13 41.023 0.023 . . . . . . 196 F CB . 26962 1 929 . 1 1 199 199 PHE N N 15 118.652 0.139 . . . . . . 196 F N . 26962 1 930 . 1 1 200 200 ARG H H 1 8.663 0.006 . . . . . . 197 R HN . 26962 1 931 . 1 1 200 200 ARG C C 13 174.618 0.000 . . . . . . 197 R C . 26962 1 932 . 1 1 200 200 ARG CA C 13 54.836 0.034 . . . . . . 197 R CA . 26962 1 933 . 1 1 200 200 ARG CB C 13 29.235 0.008 . . . . . . 197 R CB . 26962 1 934 . 1 1 200 200 ARG N N 15 123.972 0.444 . . . . . . 197 R N . 26962 1 935 . 1 1 201 201 VAL H H 1 7.910 0.063 . . . . . . 198 V HN . 26962 1 936 . 1 1 201 201 VAL CA C 13 59.221 0.006 . . . . . . 198 V CA . 26962 1 937 . 1 1 201 201 VAL CB C 13 34.161 0.000 . . . . . . 198 V CB . 26962 1 938 . 1 1 201 201 VAL N N 15 126.356 0.089 . . . . . . 198 V N . 26962 1 939 . 1 1 204 204 PRO C C 13 174.688 0.000 . . . . . . 201 P C . 26962 1 940 . 1 1 204 204 PRO CA C 13 63.779 0.023 . . . . . . 201 P CA . 26962 1 941 . 1 1 204 204 PRO CB C 13 33.770 0.007 . . . . . . 201 P CB . 26962 1 942 . 1 1 205 205 ASP H H 1 7.666 0.101 . . . . . . 202 D HN . 26962 1 943 . 1 1 205 205 ASP C C 13 176.134 0.000 . . . . . . 202 D C . 26962 1 944 . 1 1 205 205 ASP CA C 13 54.963 0.028 . . . . . . 202 D CA . 26962 1 945 . 1 1 205 205 ASP CB C 13 41.652 0.007 . . . . . . 202 D CB . 26962 1 946 . 1 1 205 205 ASP N N 15 126.663 0.251 . . . . . . 202 D N . 26962 1 947 . 1 1 206 206 HIS H H 1 11.593 12.705 . . . . . . 203 H HN . 26962 1 948 . 1 1 206 206 HIS C C 13 175.510 0.000 . . . . . . 203 H C . 26962 1 949 . 1 1 206 206 HIS CA C 13 57.399 0.019 . . . . . . 203 H CA . 26962 1 950 . 1 1 206 206 HIS CB C 13 32.507 0.015 . . . . . . 203 H CB . 26962 1 951 . 1 1 206 206 HIS N N 15 116.745 0.011 . . . . . . 203 H N . 26962 1 952 . 1 1 207 207 ALA H H 1 7.799 0.027 . . . . . . 204 A HN . 26962 1 953 . 1 1 207 207 ALA C C 13 173.509 0.000 . . . . . . 204 A C . 26962 1 954 . 1 1 207 207 ALA CA C 13 50.761 0.019 . . . . . . 204 A CA . 26962 1 955 . 1 1 207 207 ALA CB C 13 22.196 0.002 . . . . . . 204 A CB . 26962 1 956 . 1 1 207 207 ALA N N 15 123.631 0.041 . . . . . . 204 A N . 26962 1 957 . 1 1 208 208 LEU H H 1 7.630 0.009 . . . . . . 205 L HN . 26962 1 958 . 1 1 208 208 LEU C C 13 175.782 0.000 . . . . . . 205 L C . 26962 1 959 . 1 1 208 208 LEU CA C 13 54.007 0.012 . . . . . . 205 L CA . 26962 1 960 . 1 1 208 208 LEU CB C 13 42.861 0.070 . . . . . . 205 L CB . 26962 1 961 . 1 1 208 208 LEU N N 15 121.194 0.128 . . . . . . 205 L N . 26962 1 962 . 1 1 209 209 CYS H H 1 8.154 0.030 . . . . . . 206 C HN . 26962 1 963 . 1 1 209 209 CYS C C 13 173.362 0.000 . . . . . . 206 C C . 26962 1 964 . 1 1 209 209 CYS CA C 13 57.009 0.004 . . . . . . 206 C CA . 26962 1 965 . 1 1 209 209 CYS CB C 13 31.329 0.012 . . . . . . 206 C CB . 26962 1 966 . 1 1 209 209 CYS N N 15 123.396 0.074 . . . . . . 206 C N . 26962 1 967 . 1 1 210 210 VAL H H 1 8.716 0.035 . . . . . . 207 V HN . 26962 1 968 . 1 1 210 210 VAL C C 13 174.578 0.000 . . . . . . 207 V C . 26962 1 969 . 1 1 210 210 VAL CA C 13 63.136 0.014 . . . . . . 207 V CA . 26962 1 970 . 1 1 210 210 VAL CB C 13 31.837 0.047 . . . . . . 207 V CB . 26962 1 971 . 1 1 210 210 VAL N N 15 126.120 0.029 . . . . . . 207 V N . 26962 1 972 . 1 1 211 211 MET H H 1 9.052 0.021 . . . . . . 208 M HN . 26962 1 973 . 1 1 211 211 MET C C 13 175.339 0.000 . . . . . . 208 M C . 26962 1 974 . 1 1 211 211 MET CA C 13 52.508 0.013 . . . . . . 208 M CA . 26962 1 975 . 1 1 211 211 MET CB C 13 34.079 0.017 . . . . . . 208 M CB . 26962 1 976 . 1 1 211 211 MET N N 15 127.789 0.042 . . . . . . 208 M N . 26962 1 977 . 1 1 212 212 ILE H H 1 9.168 0.029 . . . . . . 209 I HN . 26962 1 978 . 1 1 212 212 ILE C C 13 174.668 0.000 . . . . . . 209 I C . 26962 1 979 . 1 1 212 212 ILE CA C 13 57.427 0.025 . . . . . . 209 I CA . 26962 1 980 . 1 1 212 212 ILE CB C 13 44.461 0.054 . . . . . . 209 I CB . 26962 1 981 . 1 1 212 212 ILE N N 15 114.619 0.033 . . . . . . 209 I N . 26962 1 982 . 1 1 213 213 LEU H H 1 8.917 0.017 . . . . . . 210 L HN . 26962 1 983 . 1 1 213 213 LEU C C 13 175.596 0.000 . . . . . . 210 L C . 26962 1 984 . 1 1 213 213 LEU CA C 13 54.148 0.013 . . . . . . 210 L CA . 26962 1 985 . 1 1 213 213 LEU CB C 13 47.898 0.068 . . . . . . 210 L CB . 26962 1 986 . 1 1 213 213 LEU N N 15 122.802 0.129 . . . . . . 210 L N . 26962 1 987 . 1 1 214 214 LYS H H 1 8.615 0.006 . . . . . . 211 K HN . 26962 1 988 . 1 1 214 214 LYS C C 13 174.797 0.000 . . . . . . 211 K C . 26962 1 989 . 1 1 214 214 LYS CA C 13 56.893 0.022 . . . . . . 211 K CA . 26962 1 990 . 1 1 214 214 LYS CB C 13 32.494 0.027 . . . . . . 211 K CB . 26962 1 991 . 1 1 214 214 LYS N N 15 127.656 0.015 . . . . . . 211 K N . 26962 1 992 . 1 1 215 215 LEU H H 1 7.586 0.009 . . . . . . 212 L HN . 26962 1 993 . 1 1 215 215 LEU CA C 13 52.005 0.005 . . . . . . 212 L CA . 26962 1 994 . 1 1 215 215 LEU CB C 13 44.694 0.000 . . . . . . 212 L CB . 26962 1 995 . 1 1 215 215 LEU N N 15 123.797 0.123 . . . . . . 212 L N . 26962 1 stop_ save_