data_25356 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25356 _Entry.Title ; Thiopurine methyltransferase *1 15-245 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-11-20 _Entry.Accession_date 2014-11-20 _Entry.Last_release_date 2015-08-19 _Entry.Original_release_date 2015-08-19 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Patrik Lundstrom . . . 25356 2 Markus Niklasson . . . 25356 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25356 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 488 25356 '15N chemical shifts' 157 25356 '1H chemical shifts' 157 25356 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 . . 2015-08-19 2014-11-20 update BMRB 'update entry citation' 25356 1 . . 2014-12-19 2014-11-20 original author 'original release' 25356 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25356 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25569628 _Citation.Full_citation . _Citation.Title ; Fast and accurate resonance assignment of small-to-large proteins by combining automated and manual approaches ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'PLOS Comput. Biol.' _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 e1004022 _Citation.Page_last e1004022 _Citation.Year 2015 _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.Entry_ID _Citation_author.Citation_ID 1 Markus Niklasson . . . 25356 1 2 Alexandra Ahlner . . . 25356 1 3 Cecilia Andresen . . . 25356 1 4 Joseph Marsh . . . 25356 1 5 Patrik Lundstrom . . . 25356 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25356 _Assembly.ID 1 _Assembly.Name 'TPMT *1 16-245' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'TPMT *1 16-245' 1 $TPMT_1_16-245 A . yes native no no . . . 25356 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TPMT_1_16-245 _Entity.Sf_category entity _Entity.Sf_framecode TPMT_1_16-245 _Entity.Entry_ID 25356 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name TPMT_1_16-245 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGSSHHHHHHSSGLVPRGST EVQKNQVLTLEEWQDKWVNG KTAFHQEQGHQLLKKHLDTF LKGKSGLRVFFPLCGKAVEM KWFADRGHSVVGVEISELGI QEFFTEQNLSYSEEPITEIP GTKVFKSSSGNISLYCCSIF DLPRTNIGKFDMIWDRGALV AINPGDRKCYADTMFSLLGK KFQYLLCVLSYDPTKHPGPP FYVPHAEIERLFGKICNIRC LEKVDAFEERHKSWGIDCLF EKLYLLTEK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 249 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _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 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2BZG . "Crystal Structure Of Thiopurine S-Methyltransferase" . . . . . 93.17 232 98.71 98.71 4.43e-167 . . . . 25356 1 2 no PDB 2H11 . "Amino-Terminal Truncated Thiopurine S-Methyltransferase Complexed With S-Adenosyl-L-Homocysteine" . . . . . 93.17 232 100.00 100.00 1.57e-170 . . . . 25356 1 3 no DBJ BAA97037 . "thiopurine S-methyltransferase [Homo sapiens]" . . . . . 92.77 245 99.57 99.57 4.57e-169 . . . . 25356 1 4 no DBJ BAJ20858 . "thiopurine S-methyltransferase [synthetic construct]" . . . . . 92.77 245 99.57 99.57 4.57e-169 . . . . 25356 1 5 no GB AAB27277 . "thiopurine methyltransferase [Homo sapiens]" . . . . . 92.77 245 99.57 99.57 4.57e-169 . . . . 25356 1 6 no GB AAB71625 . "thiopurine methyltransferase [Homo sapiens]" . . . . . 92.77 245 98.70 98.70 9.30e-167 . . . . 25356 1 7 no GB AAB71626 . "thiopurine methyltransferase [Homo sapiens]" . . . . . 92.77 245 99.13 99.13 1.72e-168 . . . . 25356 1 8 no GB AAB71627 . "thiopurine methyltransferase [Homo sapiens]" . . . . . 92.77 245 99.13 99.13 2.08e-167 . . . . 25356 1 9 no GB AAB71629 . "thiopurine methyltransferase [Homo sapiens]" . . . . . 92.37 245 99.57 99.57 3.69e-168 . . . . 25356 1 10 no REF NP_000358 . "thiopurine S-methyltransferase [Homo sapiens]" . . . . . 92.77 245 99.57 99.57 4.57e-169 . . . . 25356 1 11 no REF NP_001030596 . "thiopurine S-methyltransferase [Pan troglodytes]" . . . . . 92.77 245 98.70 99.13 9.99e-168 . . . . 25356 1 12 no REF XP_003823229 . "PREDICTED: thiopurine S-methyltransferase isoform X1 [Pan paniscus]" . . . . . 92.77 245 98.70 99.13 9.99e-168 . . . . 25356 1 13 no REF XP_004043361 . "PREDICTED: thiopurine S-methyltransferase [Gorilla gorilla gorilla]" . . . . . 92.77 245 99.13 99.13 2.66e-168 . . . . 25356 1 14 no REF XP_008975026 . "PREDICTED: thiopurine S-methyltransferase isoform X1 [Pan paniscus]" . . . . . 92.77 245 98.70 99.13 9.99e-168 . . . . 25356 1 15 no SP P51580 . "RecName: Full=Thiopurine S-methyltransferase; AltName: Full=Thiopurine methyltransferase" . . . . . 92.77 245 99.57 99.57 4.57e-169 . . . . 25356 1 16 no SP Q3BCR3 . "RecName: Full=Thiopurine S-methyltransferase; AltName: Full=Thiopurine methyltransferase" . . . . . 92.77 245 99.13 99.13 2.66e-168 . . . . 25356 1 17 no SP Q3BCR8 . "RecName: Full=Thiopurine S-methyltransferase; AltName: Full=Thiopurine methyltransferase" . . . . . 92.77 245 98.70 99.13 9.99e-168 . . . . 25356 1 stop_ 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 -3 MET . 25356 1 2 -2 GLY . 25356 1 3 -1 SER . 25356 1 4 0 SER . 25356 1 5 1 HIS . 25356 1 6 2 HIS . 25356 1 7 3 HIS . 25356 1 8 4 HIS . 25356 1 9 5 HIS . 25356 1 10 6 HIS . 25356 1 11 7 SER . 25356 1 12 8 SER . 25356 1 13 9 GLY . 25356 1 14 10 LEU . 25356 1 15 11 VAL . 25356 1 16 12 PRO . 25356 1 17 13 ARG . 25356 1 18 14 GLY . 25356 1 19 15 SER . 25356 1 20 16 THR . 25356 1 21 17 GLU . 25356 1 22 18 VAL . 25356 1 23 19 GLN . 25356 1 24 20 LYS . 25356 1 25 21 ASN . 25356 1 26 22 GLN . 25356 1 27 23 VAL . 25356 1 28 24 LEU . 25356 1 29 25 THR . 25356 1 30 26 LEU . 25356 1 31 27 GLU . 25356 1 32 28 GLU . 25356 1 33 29 TRP . 25356 1 34 30 GLN . 25356 1 35 31 ASP . 25356 1 36 32 LYS . 25356 1 37 33 TRP . 25356 1 38 34 VAL . 25356 1 39 35 ASN . 25356 1 40 36 GLY . 25356 1 41 37 LYS . 25356 1 42 38 THR . 25356 1 43 39 ALA . 25356 1 44 40 PHE . 25356 1 45 41 HIS . 25356 1 46 42 GLN . 25356 1 47 43 GLU . 25356 1 48 44 GLN . 25356 1 49 45 GLY . 25356 1 50 46 HIS . 25356 1 51 47 GLN . 25356 1 52 48 LEU . 25356 1 53 49 LEU . 25356 1 54 50 LYS . 25356 1 55 51 LYS . 25356 1 56 52 HIS . 25356 1 57 53 LEU . 25356 1 58 54 ASP . 25356 1 59 55 THR . 25356 1 60 56 PHE . 25356 1 61 57 LEU . 25356 1 62 58 LYS . 25356 1 63 59 GLY . 25356 1 64 60 LYS . 25356 1 65 61 SER . 25356 1 66 62 GLY . 25356 1 67 63 LEU . 25356 1 68 64 ARG . 25356 1 69 65 VAL . 25356 1 70 66 PHE . 25356 1 71 67 PHE . 25356 1 72 68 PRO . 25356 1 73 69 LEU . 25356 1 74 70 CYS . 25356 1 75 71 GLY . 25356 1 76 72 LYS . 25356 1 77 73 ALA . 25356 1 78 74 VAL . 25356 1 79 75 GLU . 25356 1 80 76 MET . 25356 1 81 77 LYS . 25356 1 82 78 TRP . 25356 1 83 79 PHE . 25356 1 84 80 ALA . 25356 1 85 81 ASP . 25356 1 86 82 ARG . 25356 1 87 83 GLY . 25356 1 88 84 HIS . 25356 1 89 85 SER . 25356 1 90 86 VAL . 25356 1 91 87 VAL . 25356 1 92 88 GLY . 25356 1 93 89 VAL . 25356 1 94 90 GLU . 25356 1 95 91 ILE . 25356 1 96 92 SER . 25356 1 97 93 GLU . 25356 1 98 94 LEU . 25356 1 99 95 GLY . 25356 1 100 96 ILE . 25356 1 101 97 GLN . 25356 1 102 98 GLU . 25356 1 103 99 PHE . 25356 1 104 100 PHE . 25356 1 105 101 THR . 25356 1 106 102 GLU . 25356 1 107 103 GLN . 25356 1 108 104 ASN . 25356 1 109 105 LEU . 25356 1 110 106 SER . 25356 1 111 107 TYR . 25356 1 112 108 SER . 25356 1 113 109 GLU . 25356 1 114 110 GLU . 25356 1 115 111 PRO . 25356 1 116 112 ILE . 25356 1 117 113 THR . 25356 1 118 114 GLU . 25356 1 119 115 ILE . 25356 1 120 116 PRO . 25356 1 121 117 GLY . 25356 1 122 118 THR . 25356 1 123 119 LYS . 25356 1 124 120 VAL . 25356 1 125 121 PHE . 25356 1 126 122 LYS . 25356 1 127 123 SER . 25356 1 128 124 SER . 25356 1 129 125 SER . 25356 1 130 126 GLY . 25356 1 131 127 ASN . 25356 1 132 128 ILE . 25356 1 133 129 SER . 25356 1 134 130 LEU . 25356 1 135 131 TYR . 25356 1 136 132 CYS . 25356 1 137 133 CYS . 25356 1 138 134 SER . 25356 1 139 135 ILE . 25356 1 140 136 PHE . 25356 1 141 137 ASP . 25356 1 142 138 LEU . 25356 1 143 139 PRO . 25356 1 144 140 ARG . 25356 1 145 141 THR . 25356 1 146 142 ASN . 25356 1 147 143 ILE . 25356 1 148 144 GLY . 25356 1 149 145 LYS . 25356 1 150 146 PHE . 25356 1 151 147 ASP . 25356 1 152 148 MET . 25356 1 153 149 ILE . 25356 1 154 150 TRP . 25356 1 155 151 ASP . 25356 1 156 152 ARG . 25356 1 157 153 GLY . 25356 1 158 154 ALA . 25356 1 159 155 LEU . 25356 1 160 156 VAL . 25356 1 161 157 ALA . 25356 1 162 158 ILE . 25356 1 163 159 ASN . 25356 1 164 160 PRO . 25356 1 165 161 GLY . 25356 1 166 162 ASP . 25356 1 167 163 ARG . 25356 1 168 164 LYS . 25356 1 169 165 CYS . 25356 1 170 166 TYR . 25356 1 171 167 ALA . 25356 1 172 168 ASP . 25356 1 173 169 THR . 25356 1 174 170 MET . 25356 1 175 171 PHE . 25356 1 176 172 SER . 25356 1 177 173 LEU . 25356 1 178 174 LEU . 25356 1 179 175 GLY . 25356 1 180 176 LYS . 25356 1 181 177 LYS . 25356 1 182 178 PHE . 25356 1 183 179 GLN . 25356 1 184 180 TYR . 25356 1 185 181 LEU . 25356 1 186 182 LEU . 25356 1 187 183 CYS . 25356 1 188 184 VAL . 25356 1 189 185 LEU . 25356 1 190 186 SER . 25356 1 191 187 TYR . 25356 1 192 188 ASP . 25356 1 193 189 PRO . 25356 1 194 190 THR . 25356 1 195 191 LYS . 25356 1 196 192 HIS . 25356 1 197 193 PRO . 25356 1 198 194 GLY . 25356 1 199 195 PRO . 25356 1 200 196 PRO . 25356 1 201 197 PHE . 25356 1 202 198 TYR . 25356 1 203 199 VAL . 25356 1 204 200 PRO . 25356 1 205 201 HIS . 25356 1 206 202 ALA . 25356 1 207 203 GLU . 25356 1 208 204 ILE . 25356 1 209 205 GLU . 25356 1 210 206 ARG . 25356 1 211 207 LEU . 25356 1 212 208 PHE . 25356 1 213 209 GLY . 25356 1 214 210 LYS . 25356 1 215 211 ILE . 25356 1 216 212 CYS . 25356 1 217 213 ASN . 25356 1 218 214 ILE . 25356 1 219 215 ARG . 25356 1 220 216 CYS . 25356 1 221 217 LEU . 25356 1 222 218 GLU . 25356 1 223 219 LYS . 25356 1 224 220 VAL . 25356 1 225 221 ASP . 25356 1 226 222 ALA . 25356 1 227 223 PHE . 25356 1 228 224 GLU . 25356 1 229 225 GLU . 25356 1 230 226 ARG . 25356 1 231 227 HIS . 25356 1 232 228 LYS . 25356 1 233 229 SER . 25356 1 234 230 TRP . 25356 1 235 231 GLY . 25356 1 236 232 ILE . 25356 1 237 233 ASP . 25356 1 238 234 CYS . 25356 1 239 235 LEU . 25356 1 240 236 PHE . 25356 1 241 237 GLU . 25356 1 242 238 LYS . 25356 1 243 239 LEU . 25356 1 244 240 TYR . 25356 1 245 241 LEU . 25356 1 246 242 LEU . 25356 1 247 243 THR . 25356 1 248 244 GLU . 25356 1 249 245 LYS . 25356 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 25356 1 . GLY 2 2 25356 1 . SER 3 3 25356 1 . SER 4 4 25356 1 . HIS 5 5 25356 1 . HIS 6 6 25356 1 . HIS 7 7 25356 1 . HIS 8 8 25356 1 . HIS 9 9 25356 1 . HIS 10 10 25356 1 . SER 11 11 25356 1 . SER 12 12 25356 1 . GLY 13 13 25356 1 . LEU 14 14 25356 1 . VAL 15 15 25356 1 . PRO 16 16 25356 1 . ARG 17 17 25356 1 . GLY 18 18 25356 1 . SER 19 19 25356 1 . THR 20 20 25356 1 . GLU 21 21 25356 1 . VAL 22 22 25356 1 . GLN 23 23 25356 1 . LYS 24 24 25356 1 . ASN 25 25 25356 1 . GLN 26 26 25356 1 . VAL 27 27 25356 1 . LEU 28 28 25356 1 . THR 29 29 25356 1 . LEU 30 30 25356 1 . GLU 31 31 25356 1 . GLU 32 32 25356 1 . TRP 33 33 25356 1 . GLN 34 34 25356 1 . ASP 35 35 25356 1 . LYS 36 36 25356 1 . TRP 37 37 25356 1 . VAL 38 38 25356 1 . ASN 39 39 25356 1 . GLY 40 40 25356 1 . LYS 41 41 25356 1 . THR 42 42 25356 1 . ALA 43 43 25356 1 . PHE 44 44 25356 1 . HIS 45 45 25356 1 . GLN 46 46 25356 1 . GLU 47 47 25356 1 . GLN 48 48 25356 1 . GLY 49 49 25356 1 . HIS 50 50 25356 1 . GLN 51 51 25356 1 . LEU 52 52 25356 1 . LEU 53 53 25356 1 . LYS 54 54 25356 1 . LYS 55 55 25356 1 . HIS 56 56 25356 1 . LEU 57 57 25356 1 . ASP 58 58 25356 1 . THR 59 59 25356 1 . PHE 60 60 25356 1 . LEU 61 61 25356 1 . LYS 62 62 25356 1 . GLY 63 63 25356 1 . LYS 64 64 25356 1 . SER 65 65 25356 1 . GLY 66 66 25356 1 . LEU 67 67 25356 1 . ARG 68 68 25356 1 . VAL 69 69 25356 1 . PHE 70 70 25356 1 . PHE 71 71 25356 1 . PRO 72 72 25356 1 . LEU 73 73 25356 1 . CYS 74 74 25356 1 . GLY 75 75 25356 1 . LYS 76 76 25356 1 . ALA 77 77 25356 1 . VAL 78 78 25356 1 . GLU 79 79 25356 1 . MET 80 80 25356 1 . LYS 81 81 25356 1 . TRP 82 82 25356 1 . PHE 83 83 25356 1 . ALA 84 84 25356 1 . ASP 85 85 25356 1 . ARG 86 86 25356 1 . GLY 87 87 25356 1 . HIS 88 88 25356 1 . SER 89 89 25356 1 . VAL 90 90 25356 1 . VAL 91 91 25356 1 . GLY 92 92 25356 1 . VAL 93 93 25356 1 . GLU 94 94 25356 1 . ILE 95 95 25356 1 . SER 96 96 25356 1 . GLU 97 97 25356 1 . LEU 98 98 25356 1 . GLY 99 99 25356 1 . ILE 100 100 25356 1 . GLN 101 101 25356 1 . GLU 102 102 25356 1 . PHE 103 103 25356 1 . PHE 104 104 25356 1 . THR 105 105 25356 1 . GLU 106 106 25356 1 . GLN 107 107 25356 1 . ASN 108 108 25356 1 . LEU 109 109 25356 1 . SER 110 110 25356 1 . TYR 111 111 25356 1 . SER 112 112 25356 1 . GLU 113 113 25356 1 . GLU 114 114 25356 1 . PRO 115 115 25356 1 . ILE 116 116 25356 1 . THR 117 117 25356 1 . GLU 118 118 25356 1 . ILE 119 119 25356 1 . PRO 120 120 25356 1 . GLY 121 121 25356 1 . THR 122 122 25356 1 . LYS 123 123 25356 1 . VAL 124 124 25356 1 . PHE 125 125 25356 1 . LYS 126 126 25356 1 . SER 127 127 25356 1 . SER 128 128 25356 1 . SER 129 129 25356 1 . GLY 130 130 25356 1 . ASN 131 131 25356 1 . ILE 132 132 25356 1 . SER 133 133 25356 1 . LEU 134 134 25356 1 . TYR 135 135 25356 1 . CYS 136 136 25356 1 . CYS 137 137 25356 1 . SER 138 138 25356 1 . ILE 139 139 25356 1 . PHE 140 140 25356 1 . ASP 141 141 25356 1 . LEU 142 142 25356 1 . PRO 143 143 25356 1 . ARG 144 144 25356 1 . THR 145 145 25356 1 . ASN 146 146 25356 1 . ILE 147 147 25356 1 . GLY 148 148 25356 1 . LYS 149 149 25356 1 . PHE 150 150 25356 1 . ASP 151 151 25356 1 . MET 152 152 25356 1 . ILE 153 153 25356 1 . TRP 154 154 25356 1 . ASP 155 155 25356 1 . ARG 156 156 25356 1 . GLY 157 157 25356 1 . ALA 158 158 25356 1 . LEU 159 159 25356 1 . VAL 160 160 25356 1 . ALA 161 161 25356 1 . ILE 162 162 25356 1 . ASN 163 163 25356 1 . PRO 164 164 25356 1 . GLY 165 165 25356 1 . ASP 166 166 25356 1 . ARG 167 167 25356 1 . LYS 168 168 25356 1 . CYS 169 169 25356 1 . TYR 170 170 25356 1 . ALA 171 171 25356 1 . ASP 172 172 25356 1 . THR 173 173 25356 1 . MET 174 174 25356 1 . PHE 175 175 25356 1 . SER 176 176 25356 1 . LEU 177 177 25356 1 . LEU 178 178 25356 1 . GLY 179 179 25356 1 . LYS 180 180 25356 1 . LYS 181 181 25356 1 . PHE 182 182 25356 1 . GLN 183 183 25356 1 . TYR 184 184 25356 1 . LEU 185 185 25356 1 . LEU 186 186 25356 1 . CYS 187 187 25356 1 . VAL 188 188 25356 1 . LEU 189 189 25356 1 . SER 190 190 25356 1 . TYR 191 191 25356 1 . ASP 192 192 25356 1 . PRO 193 193 25356 1 . THR 194 194 25356 1 . LYS 195 195 25356 1 . HIS 196 196 25356 1 . PRO 197 197 25356 1 . GLY 198 198 25356 1 . PRO 199 199 25356 1 . PRO 200 200 25356 1 . PHE 201 201 25356 1 . TYR 202 202 25356 1 . VAL 203 203 25356 1 . PRO 204 204 25356 1 . HIS 205 205 25356 1 . ALA 206 206 25356 1 . GLU 207 207 25356 1 . ILE 208 208 25356 1 . GLU 209 209 25356 1 . ARG 210 210 25356 1 . LEU 211 211 25356 1 . PHE 212 212 25356 1 . GLY 213 213 25356 1 . LYS 214 214 25356 1 . ILE 215 215 25356 1 . CYS 216 216 25356 1 . ASN 217 217 25356 1 . ILE 218 218 25356 1 . ARG 219 219 25356 1 . CYS 220 220 25356 1 . LEU 221 221 25356 1 . GLU 222 222 25356 1 . LYS 223 223 25356 1 . VAL 224 224 25356 1 . ASP 225 225 25356 1 . ALA 226 226 25356 1 . PHE 227 227 25356 1 . GLU 228 228 25356 1 . GLU 229 229 25356 1 . ARG 230 230 25356 1 . HIS 231 231 25356 1 . LYS 232 232 25356 1 . SER 233 233 25356 1 . TRP 234 234 25356 1 . GLY 235 235 25356 1 . ILE 236 236 25356 1 . ASP 237 237 25356 1 . CYS 238 238 25356 1 . LEU 239 239 25356 1 . PHE 240 240 25356 1 . GLU 241 241 25356 1 . LYS 242 242 25356 1 . LEU 243 243 25356 1 . TYR 244 244 25356 1 . LEU 245 245 25356 1 . LEU 246 246 25356 1 . THR 247 247 25356 1 . GLU 248 248 25356 1 . LYS 249 249 25356 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 25356 _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 $TPMT_1_16-245 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 25356 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 25356 _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 $TPMT_1_16-245 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . N.A. . . . 25356 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25356 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'TPMT *1 16-245' '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $TPMT_1_16-245 . . 0.5 . . mM . . . . 25356 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25356 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25356 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25356 _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' 95 . mM 25356 1 pH 7.3 . pH 25356 1 pressure 1 . atm 25356 1 temperature 298 . K 25356 1 stop_ save_ ############################ # Computer software used # ############################ save_COMPASS _Software.Sf_category software _Software.Sf_framecode COMPASS _Software.Entry_ID 25356 _Software.ID 1 _Software.Name COMPASS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Niklasson, Ahlner, Andresen, Marsh, Lundstrom' . . 25356 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25356 1 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 25356 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 25356 _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 INOVA . 800 . . . 25356 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 25356 _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 . . . . . . . . . . . . . . . . 25356 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25356 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25356 1 4 '3D HN(CA)CB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25356 1 5 '3D HN(COCA)CB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25356 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25356 1 7 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25356 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 25356 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 25356 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25356 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25356 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 25356 _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 2 '3D HNCA' . . . 25356 1 3 '3D HN(CO)CA' . . . 25356 1 4 '3D HN(CA)CB' . . . 25356 1 5 '3D HN(COCA)CB' . . . 25356 1 6 '3D HNCO' . . . 25356 1 7 '3D HN(CA)CO' . . . 25356 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 20 20 THR C C 13 174.620 0.000 . 1 . . . . 16 THR CO . 25356 1 2 . 1 1 20 20 THR CB C 13 69.573 0.000 . 1 . . . . 16 THR CB . 25356 1 3 . 1 1 21 21 GLU H H 1 8.332 0.003 . 1 . . . . 17 GLU HN . 25356 1 4 . 1 1 21 21 GLU C C 13 176.534 0.031 . 1 . . . . 17 GLU CO . 25356 1 5 . 1 1 21 21 GLU CA C 13 56.685 0.001 . 1 . . . . 17 GLU CA . 25356 1 6 . 1 1 21 21 GLU CB C 13 30.197 0.055 . 1 . . . . 17 GLU CB . 25356 1 7 . 1 1 21 21 GLU N N 15 124.278 0.020 . 1 . . . . 17 GLU N . 25356 1 8 . 1 1 22 22 VAL H H 1 8.074 0.003 . 1 . . . . 18 VAL HN . 25356 1 9 . 1 1 22 22 VAL C C 13 176.306 0.022 . 1 . . . . 18 VAL CO . 25356 1 10 . 1 1 22 22 VAL CA C 13 62.632 0.047 . 1 . . . . 18 VAL CA . 25356 1 11 . 1 1 22 22 VAL CB C 13 32.524 0.069 . 1 . . . . 18 VAL CB . 25356 1 12 . 1 1 22 22 VAL N N 15 122.380 0.020 . 1 . . . . 18 VAL N . 25356 1 13 . 1 1 23 23 GLN H H 1 8.324 0.011 . 1 . . . . 19 GLN HN . 25356 1 14 . 1 1 23 23 GLN C C 13 176.076 0.015 . 1 . . . . 19 GLN CO . 25356 1 15 . 1 1 23 23 GLN CA C 13 55.898 0.056 . 1 . . . . 19 GLN CA . 25356 1 16 . 1 1 23 23 GLN CB C 13 29.303 0.017 . 1 . . . . 19 GLN CB . 25356 1 17 . 1 1 23 23 GLN N N 15 124.828 0.141 . 1 . . . . 19 GLN N . 25356 1 18 . 1 1 24 24 LYS H H 1 8.285 0.008 . 1 . . . . 20 LYS HN . 25356 1 19 . 1 1 24 24 LYS CA C 13 56.652 0.000 . 1 . . . . 20 LYS CA . 25356 1 20 . 1 1 24 24 LYS CB C 13 33.216 0.000 . 1 . . . . 20 LYS CB . 25356 1 21 . 1 1 24 24 LYS N N 15 123.465 0.132 . 1 . . . . 20 LYS N . 25356 1 22 . 1 1 25 25 ASN C C 13 175.293 0.043 . 1 . . . . 21 ASN CO . 25356 1 23 . 1 1 25 25 ASN CA C 13 52.682 0.000 . 1 . . . . 21 ASN CA . 25356 1 24 . 1 1 25 25 ASN CB C 13 38.712 0.000 . 1 . . . . 21 ASN CB . 25356 1 25 . 1 1 26 26 GLN H H 1 7.554 0.006 . 1 . . . . 22 GLN HN . 25356 1 26 . 1 1 26 26 GLN C C 13 175.494 0.003 . 1 . . . . 22 GLN CO . 25356 1 27 . 1 1 26 26 GLN CA C 13 56.274 0.033 . 1 . . . . 22 GLN CA . 25356 1 28 . 1 1 26 26 GLN CB C 13 30.035 0.044 . 1 . . . . 22 GLN CB . 25356 1 29 . 1 1 26 26 GLN N N 15 121.021 0.091 . 1 . . . . 22 GLN N . 25356 1 30 . 1 1 27 27 VAL H H 1 8.196 0.007 . 1 . . . . 23 VAL HN . 25356 1 31 . 1 1 27 27 VAL C C 13 175.099 0.012 . 1 . . . . 23 VAL CO . 25356 1 32 . 1 1 27 27 VAL CA C 13 61.599 0.052 . 1 . . . . 23 VAL CA . 25356 1 33 . 1 1 27 27 VAL N N 15 121.769 0.063 . 1 . . . . 23 VAL N . 25356 1 34 . 1 1 28 28 LEU H H 1 8.846 0.006 . 1 . . . . 24 LEU HN . 25356 1 35 . 1 1 28 28 LEU C C 13 178.179 0.000 . 1 . . . . 24 LEU CO . 25356 1 36 . 1 1 28 28 LEU CA C 13 55.264 0.108 . 1 . . . . 24 LEU CA . 25356 1 37 . 1 1 28 28 LEU CB C 13 43.942 0.000 . 1 . . . . 24 LEU CB . 25356 1 38 . 1 1 28 28 LEU N N 15 128.152 0.055 . 1 . . . . 24 LEU N . 25356 1 39 . 1 1 29 29 THR H H 1 8.848 0.010 . 1 . . . . 25 THR HN . 25356 1 40 . 1 1 29 29 THR C C 13 175.796 0.050 . 1 . . . . 25 THR CO . 25356 1 41 . 1 1 29 29 THR CA C 13 60.439 0.024 . 1 . . . . 25 THR CA . 25356 1 42 . 1 1 29 29 THR CB C 13 71.597 0.000 . 1 . . . . 25 THR CB . 25356 1 43 . 1 1 29 29 THR N N 15 115.052 0.060 . 1 . . . . 25 THR N . 25356 1 44 . 1 1 30 30 LEU H H 1 8.692 0.003 . 1 . . . . 26 LEU HN . 25356 1 45 . 1 1 30 30 LEU C C 13 180.251 0.000 . 1 . . . . 26 LEU CO . 25356 1 46 . 1 1 30 30 LEU CA C 13 58.306 0.022 . 1 . . . . 26 LEU CA . 25356 1 47 . 1 1 30 30 LEU CB C 13 40.761 0.000 . 1 . . . . 26 LEU CB . 25356 1 48 . 1 1 30 30 LEU N N 15 120.716 0.036 . 1 . . . . 26 LEU N . 25356 1 49 . 1 1 31 31 GLU H H 1 8.642 0.008 . 1 . . . . 27 GLU HN . 25356 1 50 . 1 1 31 31 GLU C C 13 179.031 0.067 . 1 . . . . 27 GLU CO . 25356 1 51 . 1 1 31 31 GLU CA C 13 60.462 0.033 . 1 . . . . 27 GLU CA . 25356 1 52 . 1 1 31 31 GLU CB C 13 28.874 0.023 . 1 . . . . 27 GLU CB . 25356 1 53 . 1 1 31 31 GLU N N 15 119.598 0.049 . 1 . . . . 27 GLU N . 25356 1 54 . 1 1 32 32 GLU H H 1 7.840 0.006 . 1 . . . . 28 GLU HN . 25356 1 55 . 1 1 32 32 GLU C C 13 180.650 0.000 . 1 . . . . 28 GLU CO . 25356 1 56 . 1 1 32 32 GLU CA C 13 59.697 0.000 . 1 . . . . 28 GLU CA . 25356 1 57 . 1 1 32 32 GLU CB C 13 29.700 0.000 . 1 . . . . 28 GLU CB . 25356 1 58 . 1 1 32 32 GLU N N 15 121.879 0.027 . 1 . . . . 28 GLU N . 25356 1 59 . 1 1 53 53 LEU C C 13 178.188 0.013 . 1 . . . . 49 LEU CO . 25356 1 60 . 1 1 53 53 LEU CA C 13 58.161 0.000 . 1 . . . . 49 LEU CA . 25356 1 61 . 1 1 53 53 LEU CB C 13 39.839 0.000 . 1 . . . . 49 LEU CB . 25356 1 62 . 1 1 54 54 LYS H H 1 8.317 0.010 . 1 . . . . 50 LYS HN . 25356 1 63 . 1 1 54 54 LYS C C 13 178.229 0.000 . 1 . . . . 50 LYS CO . 25356 1 64 . 1 1 54 54 LYS CA C 13 60.045 0.061 . 1 . . . . 50 LYS CA . 25356 1 65 . 1 1 54 54 LYS CB C 13 32.707 0.150 . 1 . . . . 50 LYS CB . 25356 1 66 . 1 1 54 54 LYS N N 15 117.371 0.048 . 1 . . . . 50 LYS N . 25356 1 67 . 1 1 55 55 LYS H H 1 7.194 0.009 . 1 . . . . 51 LYS HN . 25356 1 68 . 1 1 55 55 LYS C C 13 177.629 0.012 . 1 . . . . 51 LYS CO . 25356 1 69 . 1 1 55 55 LYS CA C 13 58.827 0.044 . 1 . . . . 51 LYS CA . 25356 1 70 . 1 1 55 55 LYS CB C 13 32.899 0.092 . 1 . . . . 51 LYS CB . 25356 1 71 . 1 1 55 55 LYS N N 15 117.115 0.041 . 1 . . . . 51 LYS N . 25356 1 72 . 1 1 56 56 HIS H H 1 7.241 0.003 . 1 . . . . 52 HIS HN . 25356 1 73 . 1 1 56 56 HIS C C 13 176.239 0.009 . 1 . . . . 52 HIS CO . 25356 1 74 . 1 1 56 56 HIS CA C 13 57.481 0.055 . 1 . . . . 52 HIS CA . 25356 1 75 . 1 1 56 56 HIS CB C 13 33.846 0.115 . 1 . . . . 52 HIS CB . 25356 1 76 . 1 1 56 56 HIS N N 15 116.130 0.033 . 1 . . . . 52 HIS N . 25356 1 77 . 1 1 57 57 LEU H H 1 7.977 0.006 . 1 . . . . 53 LEU HN . 25356 1 78 . 1 1 57 57 LEU C C 13 177.599 0.026 . 1 . . . . 53 LEU CO . 25356 1 79 . 1 1 57 57 LEU CA C 13 59.807 0.028 . 1 . . . . 53 LEU CA . 25356 1 80 . 1 1 57 57 LEU CB C 13 41.673 0.212 . 1 . . . . 53 LEU CB . 25356 1 81 . 1 1 57 57 LEU N N 15 123.826 0.041 . 1 . . . . 53 LEU N . 25356 1 82 . 1 1 58 58 ASP H H 1 8.445 0.004 . 1 . . . . 54 ASP HN . 25356 1 83 . 1 1 58 58 ASP C C 13 178.956 0.023 . 1 . . . . 54 ASP CO . 25356 1 84 . 1 1 58 58 ASP CA C 13 57.539 0.059 . 1 . . . . 54 ASP CA . 25356 1 85 . 1 1 58 58 ASP CB C 13 39.957 0.130 . 1 . . . . 54 ASP CB . 25356 1 86 . 1 1 58 58 ASP N N 15 115.788 0.025 . 1 . . . . 54 ASP N . 25356 1 87 . 1 1 59 59 THR H H 1 7.723 0.006 . 1 . . . . 55 THR HN . 25356 1 88 . 1 1 59 59 THR C C 13 176.661 0.013 . 1 . . . . 55 THR CO . 25356 1 89 . 1 1 59 59 THR CA C 13 66.042 0.045 . 1 . . . . 55 THR CA . 25356 1 90 . 1 1 59 59 THR CB C 13 67.994 0.088 . 1 . . . . 55 THR CB . 25356 1 91 . 1 1 59 59 THR N N 15 117.319 0.038 . 1 . . . . 55 THR N . 25356 1 92 . 1 1 60 60 PHE H H 1 7.672 0.006 . 1 . . . . 56 PHE HN . 25356 1 93 . 1 1 60 60 PHE C C 13 177.241 0.009 . 1 . . . . 56 PHE CO . 25356 1 94 . 1 1 60 60 PHE CA C 13 59.487 0.035 . 1 . . . . 56 PHE CA . 25356 1 95 . 1 1 60 60 PHE CB C 13 38.867 0.123 . 1 . . . . 56 PHE CB . 25356 1 96 . 1 1 60 60 PHE N N 15 119.971 0.043 . 1 . . . . 56 PHE N . 25356 1 97 . 1 1 61 61 LEU H H 1 7.762 0.004 . 1 . . . . 57 LEU HN . 25356 1 98 . 1 1 61 61 LEU C C 13 177.354 0.000 . 1 . . . . 57 LEU CO . 25356 1 99 . 1 1 61 61 LEU CA C 13 54.706 0.071 . 1 . . . . 57 LEU CA . 25356 1 100 . 1 1 61 61 LEU CB C 13 42.210 0.084 . 1 . . . . 57 LEU CB . 25356 1 101 . 1 1 61 61 LEU N N 15 115.211 0.026 . 1 . . . . 57 LEU N . 25356 1 102 . 1 1 62 62 LYS H H 1 7.432 0.007 . 1 . . . . 58 LYS HN . 25356 1 103 . 1 1 62 62 LYS C C 13 178.129 0.000 . 1 . . . . 58 LYS CO . 25356 1 104 . 1 1 62 62 LYS CA C 13 58.776 0.026 . 1 . . . . 58 LYS CA . 25356 1 105 . 1 1 62 62 LYS CB C 13 31.944 0.000 . 1 . . . . 58 LYS CB . 25356 1 106 . 1 1 62 62 LYS N N 15 123.535 0.024 . 1 . . . . 58 LYS N . 25356 1 107 . 1 1 63 63 GLY C C 13 174.213 0.000 . 1 . . . . 59 GLY CO . 25356 1 108 . 1 1 63 63 GLY CA C 13 45.867 0.012 . 1 . . . . 59 GLY CA . 25356 1 109 . 1 1 64 64 LYS H H 1 7.921 0.005 . 1 . . . . 60 LYS HN . 25356 1 110 . 1 1 64 64 LYS C C 13 176.245 0.009 . 1 . . . . 60 LYS CO . 25356 1 111 . 1 1 64 64 LYS CA C 13 54.465 0.052 . 1 . . . . 60 LYS CA . 25356 1 112 . 1 1 64 64 LYS CB C 13 34.487 0.000 . 1 . . . . 60 LYS CB . 25356 1 113 . 1 1 64 64 LYS N N 15 119.686 0.020 . 1 . . . . 60 LYS N . 25356 1 114 . 1 1 65 65 SER H H 1 8.559 0.006 . 1 . . . . 61 SER HN . 25356 1 115 . 1 1 65 65 SER C C 13 174.108 0.000 . 1 . . . . 61 SER CO . 25356 1 116 . 1 1 65 65 SER CA C 13 57.151 0.078 . 1 . . . . 61 SER CA . 25356 1 117 . 1 1 65 65 SER CB C 13 65.099 0.058 . 1 . . . . 61 SER CB . 25356 1 118 . 1 1 65 65 SER N N 15 116.258 0.045 . 1 . . . . 61 SER N . 25356 1 119 . 1 1 66 66 GLY H H 1 8.531 0.008 . 1 . . . . 62 GLY HN . 25356 1 120 . 1 1 66 66 GLY C C 13 176.007 0.011 . 1 . . . . 62 GLY CO . 25356 1 121 . 1 1 66 66 GLY CA C 13 47.809 0.089 . 1 . . . . 62 GLY CA . 25356 1 122 . 1 1 66 66 GLY N N 15 114.613 0.054 . 1 . . . . 62 GLY N . 25356 1 123 . 1 1 67 67 LEU H H 1 11.150 0.007 . 1 . . . . 63 LEU HN . 25356 1 124 . 1 1 67 67 LEU C C 13 176.458 0.023 . 1 . . . . 63 LEU CO . 25356 1 125 . 1 1 67 67 LEU CA C 13 55.181 0.072 . 1 . . . . 63 LEU CA . 25356 1 126 . 1 1 67 67 LEU CB C 13 43.181 0.042 . 1 . . . . 63 LEU CB . 25356 1 127 . 1 1 67 67 LEU N N 15 124.284 0.041 . 1 . . . . 63 LEU N . 25356 1 128 . 1 1 68 68 ARG H H 1 9.533 0.009 . 1 . . . . 64 ARG HN . 25356 1 129 . 1 1 68 68 ARG C C 13 176.321 0.036 . 1 . . . . 64 ARG CO . 25356 1 130 . 1 1 68 68 ARG CA C 13 56.281 0.014 . 1 . . . . 64 ARG CA . 25356 1 131 . 1 1 68 68 ARG CB C 13 31.506 0.123 . 1 . . . . 64 ARG CB . 25356 1 132 . 1 1 68 68 ARG N N 15 122.132 0.025 . 1 . . . . 64 ARG N . 25356 1 133 . 1 1 69 69 VAL H H 1 9.511 0.007 . 1 . . . . 65 VAL HN . 25356 1 134 . 1 1 69 69 VAL C C 13 173.190 0.068 . 1 . . . . 65 VAL CO . 25356 1 135 . 1 1 69 69 VAL CA C 13 60.851 0.068 . 1 . . . . 65 VAL CA . 25356 1 136 . 1 1 69 69 VAL CB C 13 34.237 0.031 . 1 . . . . 65 VAL CB . 25356 1 137 . 1 1 69 69 VAL N N 15 129.458 0.041 . 1 . . . . 65 VAL N . 25356 1 138 . 1 1 70 70 PHE H H 1 8.432 0.011 . 1 . . . . 66 PHE HN . 25356 1 139 . 1 1 70 70 PHE C C 13 173.207 0.000 . 1 . . . . 66 PHE CO . 25356 1 140 . 1 1 70 70 PHE CA C 13 54.368 0.129 . 1 . . . . 66 PHE CA . 25356 1 141 . 1 1 70 70 PHE CB C 13 40.656 0.008 . 1 . . . . 66 PHE CB . 25356 1 142 . 1 1 70 70 PHE N N 15 127.823 0.070 . 1 . . . . 66 PHE N . 25356 1 143 . 1 1 71 71 PHE H H 1 8.701 0.005 . 1 . . . . 67 PHE HN . 25356 1 144 . 1 1 71 71 PHE CA C 13 53.098 0.000 . 1 . . . . 67 PHE CA . 25356 1 145 . 1 1 71 71 PHE N N 15 128.941 0.064 . 1 . . . . 67 PHE N . 25356 1 146 . 1 1 76 76 LYS C C 13 175.895 0.000 . 1 . . . . 72 LYS CO . 25356 1 147 . 1 1 76 76 LYS CA C 13 51.859 0.000 . 1 . . . . 72 LYS CA . 25356 1 148 . 1 1 77 77 ALA H H 1 7.835 0.016 . 1 . . . . 73 ALA HN . 25356 1 149 . 1 1 77 77 ALA C C 13 179.036 0.021 . 1 . . . . 73 ALA CO . 25356 1 150 . 1 1 77 77 ALA CA C 13 54.351 0.024 . 1 . . . . 73 ALA CA . 25356 1 151 . 1 1 77 77 ALA CB C 13 18.972 0.000 . 1 . . . . 73 ALA CB . 25356 1 152 . 1 1 77 77 ALA N N 15 124.846 0.050 . 1 . . . . 73 ALA N . 25356 1 153 . 1 1 78 78 VAL H H 1 8.557 0.009 . 1 . . . . 74 VAL HN . 25356 1 154 . 1 1 78 78 VAL C C 13 178.509 0.000 . 1 . . . . 74 VAL CO . 25356 1 155 . 1 1 78 78 VAL CA C 13 63.745 0.114 . 1 . . . . 74 VAL CA . 25356 1 156 . 1 1 78 78 VAL N N 15 120.715 0.053 . 1 . . . . 74 VAL N . 25356 1 157 . 1 1 79 79 GLU H H 1 9.275 0.014 . 1 . . . . 75 GLU HN . 25356 1 158 . 1 1 79 79 GLU C C 13 178.056 0.052 . 1 . . . . 75 GLU CO . 25356 1 159 . 1 1 79 79 GLU CA C 13 58.367 0.020 . 1 . . . . 75 GLU CA . 25356 1 160 . 1 1 79 79 GLU N N 15 118.946 0.095 . 1 . . . . 75 GLU N . 25356 1 161 . 1 1 80 80 MET H H 1 7.150 0.007 . 1 . . . . 76 MET HN . 25356 1 162 . 1 1 80 80 MET C C 13 178.867 0.017 . 1 . . . . 76 MET CO . 25356 1 163 . 1 1 80 80 MET CA C 13 60.811 0.078 . 1 . . . . 76 MET CA . 25356 1 164 . 1 1 80 80 MET CB C 13 35.501 0.000 . 1 . . . . 76 MET CB . 25356 1 165 . 1 1 80 80 MET N N 15 117.665 0.059 . 1 . . . . 76 MET N . 25356 1 166 . 1 1 81 81 LYS H H 1 7.262 0.008 . 1 . . . . 77 LYS HN . 25356 1 167 . 1 1 81 81 LYS C C 13 177.103 0.015 . 1 . . . . 77 LYS CO . 25356 1 168 . 1 1 81 81 LYS CA C 13 57.920 0.066 . 1 . . . . 77 LYS CA . 25356 1 169 . 1 1 81 81 LYS CB C 13 33.857 0.002 . 1 . . . . 77 LYS CB . 25356 1 170 . 1 1 81 81 LYS N N 15 117.850 0.053 . 1 . . . . 77 LYS N . 25356 1 171 . 1 1 82 82 TRP H H 1 7.189 0.008 . 1 . . . . 78 TRP HN . 25356 1 172 . 1 1 82 82 TRP C C 13 180.141 0.027 . 1 . . . . 78 TRP CO . 25356 1 173 . 1 1 82 82 TRP CA C 13 57.635 0.109 . 1 . . . . 78 TRP CA . 25356 1 174 . 1 1 82 82 TRP CB C 13 28.816 0.000 . 1 . . . . 78 TRP CB . 25356 1 175 . 1 1 82 82 TRP N N 15 118.162 0.026 . 1 . . . . 78 TRP N . 25356 1 176 . 1 1 83 83 PHE H H 1 7.374 0.006 . 1 . . . . 79 PHE HN . 25356 1 177 . 1 1 83 83 PHE C C 13 178.246 0.014 . 1 . . . . 79 PHE CO . 25356 1 178 . 1 1 83 83 PHE CA C 13 63.037 0.049 . 1 . . . . 79 PHE CA . 25356 1 179 . 1 1 83 83 PHE CB C 13 40.501 0.042 . 1 . . . . 79 PHE CB . 25356 1 180 . 1 1 83 83 PHE N N 15 114.213 0.008 . 1 . . . . 79 PHE N . 25356 1 181 . 1 1 84 84 ALA H H 1 7.752 0.007 . 1 . . . . 80 ALA HN . 25356 1 182 . 1 1 84 84 ALA C C 13 181.871 0.006 . 1 . . . . 80 ALA CO . 25356 1 183 . 1 1 84 84 ALA CA C 13 54.999 0.029 . 1 . . . . 80 ALA CA . 25356 1 184 . 1 1 84 84 ALA CB C 13 18.527 0.123 . 1 . . . . 80 ALA CB . 25356 1 185 . 1 1 84 84 ALA N N 15 125.025 0.030 . 1 . . . . 80 ALA N . 25356 1 186 . 1 1 85 85 ASP H H 1 8.996 0.006 . 1 . . . . 81 ASP HN . 25356 1 187 . 1 1 85 85 ASP C C 13 177.772 0.008 . 1 . . . . 81 ASP CO . 25356 1 188 . 1 1 85 85 ASP CA C 13 56.714 0.087 . 1 . . . . 81 ASP CA . 25356 1 189 . 1 1 85 85 ASP CB C 13 39.867 0.170 . 1 . . . . 81 ASP CB . 25356 1 190 . 1 1 85 85 ASP N N 15 119.953 0.034 . 1 . . . . 81 ASP N . 25356 1 191 . 1 1 86 86 ARG H H 1 7.106 0.008 . 1 . . . . 82 ARG HN . 25356 1 192 . 1 1 86 86 ARG C C 13 175.360 0.029 . 1 . . . . 82 ARG CO . 25356 1 193 . 1 1 86 86 ARG CA C 13 55.566 0.113 . 1 . . . . 82 ARG CA . 25356 1 194 . 1 1 86 86 ARG CB C 13 30.887 0.032 . 1 . . . . 82 ARG CB . 25356 1 195 . 1 1 86 86 ARG N N 15 118.114 0.040 . 1 . . . . 82 ARG N . 25356 1 196 . 1 1 87 87 GLY H H 1 7.809 0.007 . 1 . . . . 83 GLY HN . 25356 1 197 . 1 1 87 87 GLY C C 13 173.825 0.017 . 1 . . . . 83 GLY CO . 25356 1 198 . 1 1 87 87 GLY CA C 13 45.889 0.051 . 1 . . . . 83 GLY CA . 25356 1 199 . 1 1 87 87 GLY N N 15 107.177 0.031 . 1 . . . . 83 GLY N . 25356 1 200 . 1 1 88 88 HIS H H 1 7.317 0.008 . 1 . . . . 84 HIS HN . 25356 1 201 . 1 1 88 88 HIS C C 13 174.349 0.008 . 1 . . . . 84 HIS CO . 25356 1 202 . 1 1 88 88 HIS CA C 13 55.549 0.073 . 1 . . . . 84 HIS CA . 25356 1 203 . 1 1 88 88 HIS CB C 13 32.045 0.086 . 1 . . . . 84 HIS CB . 25356 1 204 . 1 1 88 88 HIS N N 15 121.539 0.023 . 1 . . . . 84 HIS N . 25356 1 205 . 1 1 89 89 SER H H 1 9.176 0.006 . 1 . . . . 85 SER HN . 25356 1 206 . 1 1 89 89 SER C C 13 173.186 0.037 . 1 . . . . 85 SER CO . 25356 1 207 . 1 1 89 89 SER CA C 13 58.284 0.051 . 1 . . . . 85 SER CA . 25356 1 208 . 1 1 89 89 SER CB C 13 64.592 0.068 . 1 . . . . 85 SER CB . 25356 1 209 . 1 1 89 89 SER N N 15 117.753 0.025 . 1 . . . . 85 SER N . 25356 1 210 . 1 1 90 90 VAL H H 1 8.980 0.006 . 1 . . . . 86 VAL HN . 25356 1 211 . 1 1 90 90 VAL C C 13 176.152 0.008 . 1 . . . . 86 VAL CO . 25356 1 212 . 1 1 90 90 VAL CA C 13 61.656 0.048 . 1 . . . . 86 VAL CA . 25356 1 213 . 1 1 90 90 VAL CB C 13 35.050 0.040 . 1 . . . . 86 VAL CB . 25356 1 214 . 1 1 90 90 VAL N N 15 125.966 0.035 . 1 . . . . 86 VAL N . 25356 1 215 . 1 1 91 91 VAL H H 1 9.257 0.008 . 1 . . . . 87 VAL HN . 25356 1 216 . 1 1 91 91 VAL C C 13 173.856 0.010 . 1 . . . . 87 VAL CO . 25356 1 217 . 1 1 91 91 VAL CA C 13 60.086 0.036 . 1 . . . . 87 VAL CA . 25356 1 218 . 1 1 91 91 VAL N N 15 131.094 0.029 . 1 . . . . 87 VAL N . 25356 1 219 . 1 1 92 92 GLY H H 1 8.840 0.005 . 1 . . . . 88 GLY HN . 25356 1 220 . 1 1 92 92 GLY C C 13 171.780 0.000 . 1 . . . . 88 GLY CO . 25356 1 221 . 1 1 92 92 GLY CA C 13 43.806 0.135 . 1 . . . . 88 GLY CA . 25356 1 222 . 1 1 92 92 GLY N N 15 113.920 0.027 . 1 . . . . 88 GLY N . 25356 1 223 . 1 1 93 93 VAL H H 1 7.002 0.009 . 1 . . . . 89 VAL HN . 25356 1 224 . 1 1 93 93 VAL C C 13 172.034 0.012 . 1 . . . . 89 VAL CO . 25356 1 225 . 1 1 93 93 VAL CA C 13 59.078 0.127 . 1 . . . . 89 VAL CA . 25356 1 226 . 1 1 93 93 VAL CB C 13 35.592 0.048 . 1 . . . . 89 VAL CB . 25356 1 227 . 1 1 93 93 VAL N N 15 118.577 0.051 . 1 . . . . 89 VAL N . 25356 1 228 . 1 1 94 94 GLU H H 1 8.804 0.006 . 1 . . . . 90 GLU HN . 25356 1 229 . 1 1 94 94 GLU C C 13 173.257 0.009 . 1 . . . . 90 GLU CO . 25356 1 230 . 1 1 94 94 GLU CA C 13 55.017 0.026 . 1 . . . . 90 GLU CA . 25356 1 231 . 1 1 94 94 GLU N N 15 133.289 0.048 . 1 . . . . 90 GLU N . 25356 1 232 . 1 1 95 95 ILE H H 1 7.178 0.011 . 1 . . . . 91 ILE HN . 25356 1 233 . 1 1 95 95 ILE C C 13 174.552 0.000 . 1 . . . . 91 ILE CO . 25356 1 234 . 1 1 95 95 ILE CA C 13 59.452 0.088 . 1 . . . . 91 ILE CA . 25356 1 235 . 1 1 95 95 ILE N N 15 126.392 0.061 . 1 . . . . 91 ILE N . 25356 1 236 . 1 1 96 96 SER H H 1 9.245 0.008 . 1 . . . . 92 SER HN . 25356 1 237 . 1 1 96 96 SER C C 13 174.610 0.000 . 1 . . . . 92 SER CO . 25356 1 238 . 1 1 96 96 SER CA C 13 57.232 0.025 . 1 . . . . 92 SER CA . 25356 1 239 . 1 1 96 96 SER CB C 13 63.887 0.031 . 1 . . . . 92 SER CB . 25356 1 240 . 1 1 96 96 SER N N 15 123.274 0.075 . 1 . . . . 92 SER N . 25356 1 241 . 1 1 97 97 GLU H H 1 8.595 0.009 . 1 . . . . 93 GLU HN . 25356 1 242 . 1 1 97 97 GLU C C 13 177.394 0.014 . 1 . . . . 93 GLU CO . 25356 1 243 . 1 1 97 97 GLU CA C 13 59.313 0.084 . 1 . . . . 93 GLU CA . 25356 1 244 . 1 1 97 97 GLU CB C 13 29.864 0.089 . 1 . . . . 93 GLU CB . 25356 1 245 . 1 1 97 97 GLU N N 15 132.532 0.059 . 1 . . . . 93 GLU N . 25356 1 246 . 1 1 98 98 LEU H H 1 7.012 0.012 . 1 . . . . 94 LEU HN . 25356 1 247 . 1 1 98 98 LEU C C 13 178.580 0.020 . 1 . . . . 94 LEU CO . 25356 1 248 . 1 1 98 98 LEU CA C 13 57.370 0.054 . 1 . . . . 94 LEU CA . 25356 1 249 . 1 1 98 98 LEU CB C 13 42.014 0.009 . 1 . . . . 94 LEU CB . 25356 1 250 . 1 1 98 98 LEU N N 15 119.866 0.057 . 1 . . . . 94 LEU N . 25356 1 251 . 1 1 99 99 GLY H H 1 7.135 0.009 . 1 . . . . 95 GLY HN . 25356 1 252 . 1 1 99 99 GLY C C 13 173.937 0.000 . 1 . . . . 95 GLY CO . 25356 1 253 . 1 1 99 99 GLY CA C 13 46.461 0.020 . 1 . . . . 95 GLY CA . 25356 1 254 . 1 1 99 99 GLY N N 15 107.652 0.059 . 1 . . . . 95 GLY N . 25356 1 255 . 1 1 100 100 ILE H H 1 6.553 0.006 . 1 . . . . 96 ILE HN . 25356 1 256 . 1 1 100 100 ILE C C 13 178.391 0.000 . 1 . . . . 96 ILE CO . 25356 1 257 . 1 1 100 100 ILE CA C 13 65.479 0.160 . 1 . . . . 96 ILE CA . 25356 1 258 . 1 1 100 100 ILE N N 15 119.641 0.060 . 1 . . . . 96 ILE N . 25356 1 259 . 1 1 101 101 GLN H H 1 7.877 0.011 . 1 . . . . 97 GLN HN . 25356 1 260 . 1 1 101 101 GLN C C 13 179.613 0.125 . 1 . . . . 97 GLN CO . 25356 1 261 . 1 1 101 101 GLN CA C 13 59.874 0.094 . 1 . . . . 97 GLN CA . 25356 1 262 . 1 1 101 101 GLN CB C 13 29.258 0.000 . 1 . . . . 97 GLN CB . 25356 1 263 . 1 1 101 101 GLN N N 15 118.563 0.025 . 1 . . . . 97 GLN N . 25356 1 264 . 1 1 102 102 GLU H H 1 8.391 0.008 . 1 . . . . 98 GLU HN . 25356 1 265 . 1 1 102 102 GLU C C 13 177.866 0.021 . 1 . . . . 98 GLU CO . 25356 1 266 . 1 1 102 102 GLU CA C 13 60.372 0.080 . 1 . . . . 98 GLU CA . 25356 1 267 . 1 1 102 102 GLU CB C 13 29.993 0.055 . 1 . . . . 98 GLU CB . 25356 1 268 . 1 1 102 102 GLU N N 15 121.542 0.187 . 1 . . . . 98 GLU N . 25356 1 269 . 1 1 103 103 PHE H H 1 7.733 0.009 . 1 . . . . 99 PHE HN . 25356 1 270 . 1 1 103 103 PHE C C 13 176.650 0.016 . 1 . . . . 99 PHE CO . 25356 1 271 . 1 1 103 103 PHE CA C 13 61.545 0.056 . 1 . . . . 99 PHE CA . 25356 1 272 . 1 1 103 103 PHE CB C 13 37.252 0.000 . 1 . . . . 99 PHE CB . 25356 1 273 . 1 1 103 103 PHE N N 15 120.738 0.053 . 1 . . . . 99 PHE N . 25356 1 274 . 1 1 104 104 PHE H H 1 7.287 0.008 . 1 . . . . 100 PHE HN . 25356 1 275 . 1 1 104 104 PHE C C 13 178.346 0.005 . 1 . . . . 100 PHE CO . 25356 1 276 . 1 1 104 104 PHE CA C 13 63.666 0.057 . 1 . . . . 100 PHE CA . 25356 1 277 . 1 1 104 104 PHE CB C 13 38.564 0.046 . 1 . . . . 100 PHE CB . 25356 1 278 . 1 1 104 104 PHE N N 15 116.504 0.055 . 1 . . . . 100 PHE N . 25356 1 279 . 1 1 105 105 THR H H 1 8.221 0.007 . 1 . . . . 101 THR HN . 25356 1 280 . 1 1 105 105 THR C C 13 178.383 0.000 . 1 . . . . 101 THR CO . 25356 1 281 . 1 1 105 105 THR CA C 13 66.585 0.027 . 1 . . . . 101 THR CA . 25356 1 282 . 1 1 105 105 THR CB C 13 68.808 0.111 . 1 . . . . 101 THR CB . 25356 1 283 . 1 1 105 105 THR N N 15 115.022 0.089 . 1 . . . . 101 THR N . 25356 1 284 . 1 1 106 106 GLU H H 1 9.027 0.008 . 1 . . . . 102 GLU HN . 25356 1 285 . 1 1 106 106 GLU C C 13 178.840 0.015 . 1 . . . . 102 GLU CO . 25356 1 286 . 1 1 106 106 GLU CA C 13 59.572 0.080 . 1 . . . . 102 GLU CA . 25356 1 287 . 1 1 106 106 GLU CB C 13 29.068 0.000 . 1 . . . . 102 GLU CB . 25356 1 288 . 1 1 106 106 GLU N N 15 124.095 0.025 . 1 . . . . 102 GLU N . 25356 1 289 . 1 1 107 107 GLN H H 1 7.682 0.006 . 1 . . . . 103 GLN HN . 25356 1 290 . 1 1 107 107 GLN C C 13 174.784 0.020 . 1 . . . . 103 GLN CO . 25356 1 291 . 1 1 107 107 GLN CA C 13 53.557 0.073 . 1 . . . . 103 GLN CA . 25356 1 292 . 1 1 107 107 GLN CB C 13 26.950 0.022 . 1 . . . . 103 GLN CB . 25356 1 293 . 1 1 107 107 GLN N N 15 113.950 0.033 . 1 . . . . 103 GLN N . 25356 1 294 . 1 1 108 108 ASN H H 1 7.629 0.005 . 1 . . . . 104 ASN HN . 25356 1 295 . 1 1 108 108 ASN C C 13 173.824 0.044 . 1 . . . . 104 ASN CO . 25356 1 296 . 1 1 108 108 ASN CA C 13 54.014 0.043 . 1 . . . . 104 ASN CA . 25356 1 297 . 1 1 108 108 ASN CB C 13 37.169 0.051 . 1 . . . . 104 ASN CB . 25356 1 298 . 1 1 108 108 ASN N N 15 117.601 0.020 . 1 . . . . 104 ASN N . 25356 1 299 . 1 1 109 109 LEU H H 1 8.420 0.007 . 1 . . . . 105 LEU HN . 25356 1 300 . 1 1 109 109 LEU C C 13 176.589 0.009 . 1 . . . . 105 LEU CO . 25356 1 301 . 1 1 109 109 LEU CA C 13 53.344 0.040 . 1 . . . . 105 LEU CA . 25356 1 302 . 1 1 109 109 LEU CB C 13 46.514 0.107 . 1 . . . . 105 LEU CB . 25356 1 303 . 1 1 109 109 LEU N N 15 119.458 0.039 . 1 . . . . 105 LEU N . 25356 1 304 . 1 1 110 110 SER H H 1 8.323 0.007 . 1 . . . . 106 SER HN . 25356 1 305 . 1 1 110 110 SER C C 13 173.594 0.028 . 1 . . . . 106 SER CO . 25356 1 306 . 1 1 110 110 SER CA C 13 57.918 0.073 . 1 . . . . 106 SER CA . 25356 1 307 . 1 1 110 110 SER CB C 13 64.031 0.056 . 1 . . . . 106 SER CB . 25356 1 308 . 1 1 110 110 SER N N 15 118.717 0.051 . 1 . . . . 106 SER N . 25356 1 309 . 1 1 111 111 TYR H H 1 7.824 0.002 . 1 . . . . 107 TYR HN . 25356 1 310 . 1 1 111 111 TYR C C 13 173.976 0.003 . 1 . . . . 107 TYR CO . 25356 1 311 . 1 1 111 111 TYR CA C 13 55.877 0.036 . 1 . . . . 107 TYR CA . 25356 1 312 . 1 1 111 111 TYR CB C 13 40.430 0.133 . 1 . . . . 107 TYR CB . 25356 1 313 . 1 1 111 111 TYR N N 15 118.224 0.022 . 1 . . . . 107 TYR N . 25356 1 314 . 1 1 112 112 SER H H 1 8.803 0.007 . 1 . . . . 108 SER HN . 25356 1 315 . 1 1 112 112 SER C C 13 172.513 0.007 . 1 . . . . 108 SER CO . 25356 1 316 . 1 1 112 112 SER CA C 13 56.398 0.055 . 1 . . . . 108 SER CA . 25356 1 317 . 1 1 112 112 SER CB C 13 66.231 0.028 . 1 . . . . 108 SER CB . 25356 1 318 . 1 1 112 112 SER N N 15 115.215 0.039 . 1 . . . . 108 SER N . 25356 1 319 . 1 1 113 113 GLU H H 1 8.422 0.003 . 1 . . . . 109 GLU HN . 25356 1 320 . 1 1 113 113 GLU C C 13 175.428 0.017 . 1 . . . . 109 GLU CO . 25356 1 321 . 1 1 113 113 GLU CA C 13 54.235 0.042 . 1 . . . . 109 GLU CA . 25356 1 322 . 1 1 113 113 GLU CB C 13 33.317 0.048 . 1 . . . . 109 GLU CB . 25356 1 323 . 1 1 113 113 GLU N N 15 121.419 0.036 . 1 . . . . 109 GLU N . 25356 1 324 . 1 1 114 114 GLU H H 1 8.517 0.007 . 1 . . . . 110 GLU HN . 25356 1 325 . 1 1 114 114 GLU C C 13 172.544 0.000 . 1 . . . . 110 GLU CO . 25356 1 326 . 1 1 114 114 GLU CA C 13 53.175 0.008 . 1 . . . . 110 GLU CA . 25356 1 327 . 1 1 114 114 GLU CB C 13 32.564 0.000 . 1 . . . . 110 GLU CB . 25356 1 328 . 1 1 114 114 GLU N N 15 122.688 0.029 . 1 . . . . 110 GLU N . 25356 1 329 . 1 1 115 115 PRO C C 13 176.957 0.031 . 1 . . . . 111 PRO CO . 25356 1 330 . 1 1 115 115 PRO CA C 13 62.622 0.017 . 1 . . . . 111 PRO CA . 25356 1 331 . 1 1 115 115 PRO CB C 13 32.791 0.000 . 1 . . . . 111 PRO CB . 25356 1 332 . 1 1 116 116 ILE H H 1 7.497 0.009 . 1 . . . . 112 ILE HN . 25356 1 333 . 1 1 116 116 ILE C C 13 177.577 0.025 . 1 . . . . 112 ILE CO . 25356 1 334 . 1 1 116 116 ILE CA C 13 60.723 0.074 . 1 . . . . 112 ILE CA . 25356 1 335 . 1 1 116 116 ILE CB C 13 36.023 0.001 . 1 . . . . 112 ILE CB . 25356 1 336 . 1 1 116 116 ILE N N 15 123.131 0.029 . 1 . . . . 112 ILE N . 25356 1 337 . 1 1 117 117 THR H H 1 8.624 0.003 . 1 . . . . 113 THR HN . 25356 1 338 . 1 1 117 117 THR C C 13 176.603 0.000 . 1 . . . . 113 THR CO . 25356 1 339 . 1 1 117 117 THR CA C 13 66.303 0.078 . 1 . . . . 113 THR CA . 25356 1 340 . 1 1 117 117 THR CB C 13 68.257 0.009 . 1 . . . . 113 THR CB . 25356 1 341 . 1 1 117 117 THR N N 15 124.622 0.047 . 1 . . . . 113 THR N . 25356 1 342 . 1 1 118 118 GLU H H 1 9.115 0.007 . 1 . . . . 114 GLU HN . 25356 1 343 . 1 1 118 118 GLU C C 13 175.740 0.015 . 1 . . . . 114 GLU CO . 25356 1 344 . 1 1 118 118 GLU CA C 13 58.984 0.063 . 1 . . . . 114 GLU CA . 25356 1 345 . 1 1 118 118 GLU CB C 13 30.072 0.162 . 1 . . . . 114 GLU CB . 25356 1 346 . 1 1 118 118 GLU N N 15 117.678 0.045 . 1 . . . . 114 GLU N . 25356 1 347 . 1 1 119 119 ILE H H 1 6.914 0.006 . 1 . . . . 115 ILE HN . 25356 1 348 . 1 1 119 119 ILE C C 13 171.933 0.000 . 1 . . . . 115 ILE CO . 25356 1 349 . 1 1 119 119 ILE CA C 13 58.342 0.000 . 1 . . . . 115 ILE CA . 25356 1 350 . 1 1 119 119 ILE CB C 13 37.709 0.000 . 1 . . . . 115 ILE CB . 25356 1 351 . 1 1 119 119 ILE N N 15 116.815 0.033 . 1 . . . . 115 ILE N . 25356 1 352 . 1 1 120 120 PRO C C 13 177.618 0.000 . 1 . . . . 116 PRO CO . 25356 1 353 . 1 1 120 120 PRO CA C 13 64.737 0.000 . 1 . . . . 116 PRO CA . 25356 1 354 . 1 1 121 121 GLY H H 1 8.563 0.006 . 1 . . . . 117 GLY HN . 25356 1 355 . 1 1 121 121 GLY C C 13 174.722 0.000 . 1 . . . . 117 GLY CO . 25356 1 356 . 1 1 121 121 GLY CA C 13 45.377 0.037 . 1 . . . . 117 GLY CA . 25356 1 357 . 1 1 121 121 GLY N N 15 112.493 0.021 . 1 . . . . 117 GLY N . 25356 1 358 . 1 1 122 122 THR H H 1 7.742 0.008 . 1 . . . . 118 THR HN . 25356 1 359 . 1 1 122 122 THR C C 13 175.337 0.024 . 1 . . . . 118 THR CO . 25356 1 360 . 1 1 122 122 THR CA C 13 61.714 0.085 . 1 . . . . 118 THR CA . 25356 1 361 . 1 1 122 122 THR CB C 13 70.984 0.157 . 1 . . . . 118 THR CB . 25356 1 362 . 1 1 122 122 THR N N 15 111.999 0.053 . 1 . . . . 118 THR N . 25356 1 363 . 1 1 123 123 LYS H H 1 7.722 0.004 . 1 . . . . 119 LYS HN . 25356 1 364 . 1 1 123 123 LYS C C 13 173.005 0.006 . 1 . . . . 119 LYS CO . 25356 1 365 . 1 1 123 123 LYS CA C 13 55.363 0.035 . 1 . . . . 119 LYS CA . 25356 1 366 . 1 1 123 123 LYS CB C 13 37.506 0.033 . 1 . . . . 119 LYS CB . 25356 1 367 . 1 1 123 123 LYS N N 15 119.316 0.042 . 1 . . . . 119 LYS N . 25356 1 368 . 1 1 124 124 VAL H H 1 8.944 0.007 . 1 . . . . 120 VAL HN . 25356 1 369 . 1 1 124 124 VAL C C 13 172.235 0.030 . 1 . . . . 120 VAL CO . 25356 1 370 . 1 1 124 124 VAL CA C 13 58.526 0.053 . 1 . . . . 120 VAL CA . 25356 1 371 . 1 1 124 124 VAL CB C 13 35.119 0.147 . 1 . . . . 120 VAL CB . 25356 1 372 . 1 1 124 124 VAL N N 15 119.133 0.042 . 1 . . . . 120 VAL N . 25356 1 373 . 1 1 125 125 PHE H H 1 8.883 0.008 . 1 . . . . 121 PHE HN . 25356 1 374 . 1 1 125 125 PHE C C 13 175.211 0.049 . 1 . . . . 121 PHE CO . 25356 1 375 . 1 1 125 125 PHE CA C 13 55.920 0.094 . 1 . . . . 121 PHE CA . 25356 1 376 . 1 1 125 125 PHE CB C 13 41.878 0.095 . 1 . . . . 121 PHE CB . 25356 1 377 . 1 1 125 125 PHE N N 15 128.185 0.038 . 1 . . . . 121 PHE N . 25356 1 378 . 1 1 126 126 LYS H H 1 8.689 0.010 . 1 . . . . 122 LYS HN . 25356 1 379 . 1 1 126 126 LYS C C 13 176.942 0.069 . 1 . . . . 122 LYS CO . 25356 1 380 . 1 1 126 126 LYS CA C 13 54.435 0.049 . 1 . . . . 122 LYS CA . 25356 1 381 . 1 1 126 126 LYS CB C 13 36.036 0.000 . 1 . . . . 122 LYS CB . 25356 1 382 . 1 1 126 126 LYS N N 15 122.896 0.031 . 1 . . . . 122 LYS N . 25356 1 383 . 1 1 127 127 SER H H 1 9.106 0.005 . 1 . . . . 123 SER HN . 25356 1 384 . 1 1 127 127 SER CA C 13 57.979 0.000 . 1 . . . . 123 SER CA . 25356 1 385 . 1 1 127 127 SER N N 15 118.739 0.115 . 1 . . . . 123 SER N . 25356 1 386 . 1 1 129 129 SER C C 13 175.759 0.000 . 1 . . . . 125 SER CO . 25356 1 387 . 1 1 129 129 SER CA C 13 58.718 0.010 . 1 . . . . 125 SER CA . 25356 1 388 . 1 1 129 129 SER CB C 13 64.098 0.000 . 1 . . . . 125 SER CB . 25356 1 389 . 1 1 130 130 GLY H H 1 8.058 0.009 . 1 . . . . 126 GLY HN . 25356 1 390 . 1 1 130 130 GLY C C 13 173.942 0.000 . 1 . . . . 126 GLY CO . 25356 1 391 . 1 1 130 130 GLY CA C 13 45.579 0.052 . 1 . . . . 126 GLY CA . 25356 1 392 . 1 1 130 130 GLY N N 15 111.329 0.038 . 1 . . . . 126 GLY N . 25356 1 393 . 1 1 131 131 ASN H H 1 7.859 0.008 . 1 . . . . 127 ASN HN . 25356 1 394 . 1 1 131 131 ASN C C 13 173.493 0.020 . 1 . . . . 127 ASN CO . 25356 1 395 . 1 1 131 131 ASN CA C 13 53.815 0.075 . 1 . . . . 127 ASN CA . 25356 1 396 . 1 1 131 131 ASN CB C 13 38.273 0.004 . 1 . . . . 127 ASN CB . 25356 1 397 . 1 1 131 131 ASN N N 15 116.991 0.019 . 1 . . . . 127 ASN N . 25356 1 398 . 1 1 132 132 ILE H H 1 7.459 0.007 . 1 . . . . 128 ILE HN . 25356 1 399 . 1 1 132 132 ILE C C 13 175.596 0.000 . 1 . . . . 128 ILE CO . 25356 1 400 . 1 1 132 132 ILE CA C 13 61.679 0.066 . 1 . . . . 128 ILE CA . 25356 1 401 . 1 1 132 132 ILE CB C 13 42.739 0.000 . 1 . . . . 128 ILE CB . 25356 1 402 . 1 1 132 132 ILE N N 15 119.304 0.037 . 1 . . . . 128 ILE N . 25356 1 403 . 1 1 133 133 SER H H 1 8.505 0.002 . 1 . . . . 129 SER HN . 25356 1 404 . 1 1 133 133 SER C C 13 171.908 0.006 . 1 . . . . 129 SER CO . 25356 1 405 . 1 1 133 133 SER CA C 13 57.464 0.049 . 1 . . . . 129 SER CA . 25356 1 406 . 1 1 133 133 SER CB C 13 65.695 0.000 . 1 . . . . 129 SER CB . 25356 1 407 . 1 1 133 133 SER N N 15 124.078 0.153 . 1 . . . . 129 SER N . 25356 1 408 . 1 1 134 134 LEU H H 1 9.627 0.005 . 1 . . . . 130 LEU HN . 25356 1 409 . 1 1 134 134 LEU C C 13 175.114 0.000 . 1 . . . . 130 LEU CO . 25356 1 410 . 1 1 134 134 LEU CA C 13 53.117 0.097 . 1 . . . . 130 LEU CA . 25356 1 411 . 1 1 134 134 LEU CB C 13 42.337 0.127 . 1 . . . . 130 LEU CB . 25356 1 412 . 1 1 134 134 LEU N N 15 125.241 0.009 . 1 . . . . 130 LEU N . 25356 1 413 . 1 1 135 135 TYR H H 1 9.303 0.009 . 1 . . . . 131 TYR HN . 25356 1 414 . 1 1 135 135 TYR C C 13 173.641 0.014 . 1 . . . . 131 TYR CO . 25356 1 415 . 1 1 135 135 TYR CA C 13 59.446 0.062 . 1 . . . . 131 TYR CA . 25356 1 416 . 1 1 135 135 TYR CB C 13 39.511 0.000 . 1 . . . . 131 TYR CB . 25356 1 417 . 1 1 135 135 TYR N N 15 127.568 0.016 . 1 . . . . 131 TYR N . 25356 1 418 . 1 1 136 136 CYS H H 1 9.059 0.008 . 1 . . . . 132 CYS HN . 25356 1 419 . 1 1 136 136 CYS C C 13 173.866 0.000 . 1 . . . . 132 CYS CO . 25356 1 420 . 1 1 136 136 CYS CA C 13 56.059 0.043 . 1 . . . . 132 CYS CA . 25356 1 421 . 1 1 136 136 CYS CB C 13 26.305 0.000 . 1 . . . . 132 CYS CB . 25356 1 422 . 1 1 136 136 CYS N N 15 128.526 0.023 . 1 . . . . 132 CYS N . 25356 1 423 . 1 1 137 137 CYS H H 1 7.561 0.009 . 1 . . . . 133 CYS HN . 25356 1 424 . 1 1 137 137 CYS C C 13 170.798 0.000 . 1 . . . . 133 CYS CO . 25356 1 425 . 1 1 137 137 CYS CA C 13 55.520 0.047 . 1 . . . . 133 CYS CA . 25356 1 426 . 1 1 137 137 CYS CB C 13 28.869 0.048 . 1 . . . . 133 CYS CB . 25356 1 427 . 1 1 137 137 CYS N N 15 119.787 0.048 . 1 . . . . 133 CYS N . 25356 1 428 . 1 1 138 138 SER H H 1 9.115 0.005 . 1 . . . . 134 SER HN . 25356 1 429 . 1 1 138 138 SER C C 13 179.822 0.000 . 1 . . . . 134 SER CO . 25356 1 430 . 1 1 138 138 SER CA C 13 55.203 0.051 . 1 . . . . 134 SER CA . 25356 1 431 . 1 1 138 138 SER CB C 13 63.922 0.030 . 1 . . . . 134 SER CB . 25356 1 432 . 1 1 138 138 SER N N 15 110.772 0.023 . 1 . . . . 134 SER N . 25356 1 433 . 1 1 139 139 ILE H H 1 10.200 0.008 . 1 . . . . 135 ILE HN . 25356 1 434 . 1 1 139 139 ILE C C 13 174.304 0.000 . 1 . . . . 135 ILE CO . 25356 1 435 . 1 1 139 139 ILE CA C 13 63.781 0.069 . 1 . . . . 135 ILE CA . 25356 1 436 . 1 1 139 139 ILE CB C 13 37.622 0.000 . 1 . . . . 135 ILE CB . 25356 1 437 . 1 1 139 139 ILE N N 15 131.668 0.034 . 1 . . . . 135 ILE N . 25356 1 438 . 1 1 140 140 PHE H H 1 7.136 0.007 . 1 . . . . 136 PHE HN . 25356 1 439 . 1 1 140 140 PHE C C 13 176.476 0.032 . 1 . . . . 136 PHE CO . 25356 1 440 . 1 1 140 140 PHE CA C 13 59.756 0.042 . 1 . . . . 136 PHE CA . 25356 1 441 . 1 1 140 140 PHE CB C 13 37.936 0.125 . 1 . . . . 136 PHE CB . 25356 1 442 . 1 1 140 140 PHE N N 15 116.650 0.029 . 1 . . . . 136 PHE N . 25356 1 443 . 1 1 141 141 ASP H H 1 7.624 0.012 . 1 . . . . 137 ASP HN . 25356 1 444 . 1 1 141 141 ASP C C 13 175.763 0.040 . 1 . . . . 137 ASP CO . 25356 1 445 . 1 1 141 141 ASP CA C 13 54.969 0.052 . 1 . . . . 137 ASP CA . 25356 1 446 . 1 1 141 141 ASP CB C 13 42.823 0.021 . 1 . . . . 137 ASP CB . 25356 1 447 . 1 1 141 141 ASP N N 15 117.108 0.062 . 1 . . . . 137 ASP N . 25356 1 448 . 1 1 142 142 LEU H H 1 7.073 0.009 . 1 . . . . 138 LEU HN . 25356 1 449 . 1 1 142 142 LEU C C 13 174.370 0.000 . 1 . . . . 138 LEU CO . 25356 1 450 . 1 1 142 142 LEU CA C 13 58.495 0.000 . 1 . . . . 138 LEU CA . 25356 1 451 . 1 1 142 142 LEU CB C 13 41.000 0.000 . 1 . . . . 138 LEU CB . 25356 1 452 . 1 1 142 142 LEU N N 15 120.874 0.044 . 1 . . . . 138 LEU N . 25356 1 453 . 1 1 143 143 PRO C C 13 176.776 0.000 . 1 . . . . 139 PRO CO . 25356 1 454 . 1 1 143 143 PRO CA C 13 65.077 0.000 . 1 . . . . 139 PRO CA . 25356 1 455 . 1 1 144 144 ARG H H 1 7.781 0.008 . 1 . . . . 140 ARG HN . 25356 1 456 . 1 1 144 144 ARG C C 13 177.126 0.000 . 1 . . . . 140 ARG CO . 25356 1 457 . 1 1 144 144 ARG CA C 13 57.605 0.062 . 1 . . . . 140 ARG CA . 25356 1 458 . 1 1 144 144 ARG CB C 13 31.103 0.150 . 1 . . . . 140 ARG CB . 25356 1 459 . 1 1 144 144 ARG N N 15 115.182 0.028 . 1 . . . . 140 ARG N . 25356 1 460 . 1 1 145 145 THR H H 1 7.873 0.007 . 1 . . . . 141 THR HN . 25356 1 461 . 1 1 145 145 THR C C 13 172.982 0.009 . 1 . . . . 141 THR CO . 25356 1 462 . 1 1 145 145 THR CA C 13 59.980 0.081 . 1 . . . . 141 THR CA . 25356 1 463 . 1 1 145 145 THR CB C 13 70.959 0.006 . 1 . . . . 141 THR CB . 25356 1 464 . 1 1 145 145 THR N N 15 111.770 0.042 . 1 . . . . 141 THR N . 25356 1 465 . 1 1 146 146 ASN H H 1 7.958 0.008 . 1 . . . . 142 ASN HN . 25356 1 466 . 1 1 146 146 ASN C C 13 175.757 0.006 . 1 . . . . 142 ASN CO . 25356 1 467 . 1 1 146 146 ASN CA C 13 52.692 0.107 . 1 . . . . 142 ASN CA . 25356 1 468 . 1 1 146 146 ASN CB C 13 37.564 0.070 . 1 . . . . 142 ASN CB . 25356 1 469 . 1 1 146 146 ASN N N 15 120.289 0.085 . 1 . . . . 142 ASN N . 25356 1 470 . 1 1 147 147 ILE H H 1 7.850 0.005 . 1 . . . . 143 ILE HN . 25356 1 471 . 1 1 147 147 ILE C C 13 175.223 0.039 . 1 . . . . 143 ILE CO . 25356 1 472 . 1 1 147 147 ILE CA C 13 60.315 0.130 . 1 . . . . 143 ILE CA . 25356 1 473 . 1 1 147 147 ILE CB C 13 39.510 0.140 . 1 . . . . 143 ILE CB . 25356 1 474 . 1 1 147 147 ILE N N 15 121.071 0.033 . 1 . . . . 143 ILE N . 25356 1 475 . 1 1 148 148 GLY H H 1 8.045 0.004 . 1 . . . . 144 GLY HN . 25356 1 476 . 1 1 148 148 GLY C C 13 172.080 0.033 . 1 . . . . 144 GLY CO . 25356 1 477 . 1 1 148 148 GLY CA C 13 45.191 0.082 . 1 . . . . 144 GLY CA . 25356 1 478 . 1 1 148 148 GLY N N 15 111.107 0.057 . 1 . . . . 144 GLY N . 25356 1 479 . 1 1 149 149 LYS H H 1 7.783 0.005 . 1 . . . . 145 LYS HN . 25356 1 480 . 1 1 149 149 LYS C C 13 177.803 0.010 . 1 . . . . 145 LYS CO . 25356 1 481 . 1 1 149 149 LYS CA C 13 53.111 0.106 . 1 . . . . 145 LYS CA . 25356 1 482 . 1 1 149 149 LYS CB C 13 35.798 0.158 . 1 . . . . 145 LYS CB . 25356 1 483 . 1 1 149 149 LYS N N 15 116.673 0.071 . 1 . . . . 145 LYS N . 25356 1 484 . 1 1 150 150 PHE H H 1 8.451 0.009 . 1 . . . . 146 PHE HN . 25356 1 485 . 1 1 150 150 PHE C C 13 174.364 0.000 . 1 . . . . 146 PHE CO . 25356 1 486 . 1 1 150 150 PHE CA C 13 59.177 0.029 . 1 . . . . 146 PHE CA . 25356 1 487 . 1 1 150 150 PHE CB C 13 41.884 0.139 . 1 . . . . 146 PHE CB . 25356 1 488 . 1 1 150 150 PHE N N 15 118.610 0.017 . 1 . . . . 146 PHE N . 25356 1 489 . 1 1 151 151 ASP H H 1 8.777 0.008 . 1 . . . . 147 ASP HN . 25356 1 490 . 1 1 151 151 ASP C C 13 176.571 0.000 . 1 . . . . 147 ASP CO . 25356 1 491 . 1 1 151 151 ASP CA C 13 55.984 0.026 . 1 . . . . 147 ASP CA . 25356 1 492 . 1 1 151 151 ASP CB C 13 45.514 0.000 . 1 . . . . 147 ASP CB . 25356 1 493 . 1 1 151 151 ASP N N 15 119.343 0.007 . 1 . . . . 147 ASP N . 25356 1 494 . 1 1 152 152 MET H H 1 7.981 0.007 . 1 . . . . 148 MET HN . 25356 1 495 . 1 1 152 152 MET C C 13 172.663 0.004 . 1 . . . . 148 MET CO . 25356 1 496 . 1 1 152 152 MET CA C 13 53.781 0.056 . 1 . . . . 148 MET CA . 25356 1 497 . 1 1 152 152 MET CB C 13 37.529 0.090 . 1 . . . . 148 MET CB . 25356 1 498 . 1 1 152 152 MET N N 15 118.523 0.059 . 1 . . . . 148 MET N . 25356 1 499 . 1 1 153 153 ILE H H 1 8.138 0.009 . 1 . . . . 149 ILE HN . 25356 1 500 . 1 1 153 153 ILE C C 13 174.273 0.013 . 1 . . . . 149 ILE CO . 25356 1 501 . 1 1 153 153 ILE CA C 13 58.180 0.097 . 1 . . . . 149 ILE CA . 25356 1 502 . 1 1 153 153 ILE CB C 13 41.107 0.000 . 1 . . . . 149 ILE CB . 25356 1 503 . 1 1 153 153 ILE N N 15 125.637 0.070 . 1 . . . . 149 ILE N . 25356 1 504 . 1 1 154 154 TRP H H 1 7.608 0.006 . 1 . . . . 150 TRP HN . 25356 1 505 . 1 1 154 154 TRP C C 13 172.153 0.015 . 1 . . . . 150 TRP CO . 25356 1 506 . 1 1 154 154 TRP CA C 13 55.233 0.147 . 1 . . . . 150 TRP CA . 25356 1 507 . 1 1 154 154 TRP CB C 13 30.241 0.052 . 1 . . . . 150 TRP CB . 25356 1 508 . 1 1 154 154 TRP N N 15 126.433 0.061 . 1 . . . . 150 TRP N . 25356 1 509 . 1 1 155 155 ASP H H 1 8.231 0.005 . 1 . . . . 151 ASP HN . 25356 1 510 . 1 1 155 155 ASP CA C 13 52.098 0.067 . 1 . . . . 151 ASP CA . 25356 1 511 . 1 1 155 155 ASP CB C 13 45.214 0.000 . 1 . . . . 151 ASP CB . 25356 1 512 . 1 1 155 155 ASP N N 15 130.741 0.040 . 1 . . . . 151 ASP N . 25356 1 513 . 1 1 160 160 VAL C C 13 173.659 0.000 . 1 . . . . 156 VAL CO . 25356 1 514 . 1 1 160 160 VAL CA C 13 62.533 0.034 . 1 . . . . 156 VAL CA . 25356 1 515 . 1 1 161 161 ALA H H 1 8.024 0.007 . 1 . . . . 157 ALA HN . 25356 1 516 . 1 1 161 161 ALA C C 13 176.504 0.020 . 1 . . . . 157 ALA CO . 25356 1 517 . 1 1 161 161 ALA CA C 13 52.836 0.197 . 1 . . . . 157 ALA CA . 25356 1 518 . 1 1 161 161 ALA CB C 13 19.008 0.000 . 1 . . . . 157 ALA CB . 25356 1 519 . 1 1 161 161 ALA N N 15 125.602 0.047 . 1 . . . . 157 ALA N . 25356 1 520 . 1 1 162 162 ILE H H 1 10.251 0.003 . 1 . . . . 158 ILE HN . 25356 1 521 . 1 1 162 162 ILE C C 13 179.053 0.000 . 1 . . . . 158 ILE CO . 25356 1 522 . 1 1 162 162 ILE N N 15 126.646 0.078 . 1 . . . . 158 ILE N . 25356 1 523 . 1 1 164 164 PRO C C 13 178.346 0.000 . 1 . . . . 160 PRO CO . 25356 1 524 . 1 1 164 164 PRO CA C 13 56.379 0.000 . 1 . . . . 160 PRO CA . 25356 1 525 . 1 1 164 164 PRO CB C 13 38.498 0.000 . 1 . . . . 160 PRO CB . 25356 1 526 . 1 1 165 165 GLY H H 1 8.215 0.003 . 1 . . . . 161 GLY HN . 25356 1 527 . 1 1 165 165 GLY CA C 13 45.349 0.051 . 1 . . . . 161 GLY CA . 25356 1 528 . 1 1 165 165 GLY N N 15 115.031 0.073 . 1 . . . . 161 GLY N . 25356 1 529 . 1 1 166 166 ASP H H 1 7.945 0.005 . 1 . . . . 162 ASP HN . 25356 1 530 . 1 1 166 166 ASP C C 13 175.772 0.000 . 1 . . . . 162 ASP CO . 25356 1 531 . 1 1 166 166 ASP CA C 13 55.125 0.028 . 1 . . . . 162 ASP CA . 25356 1 532 . 1 1 166 166 ASP CB C 13 42.522 0.011 . 1 . . . . 162 ASP CB . 25356 1 533 . 1 1 166 166 ASP N N 15 122.288 0.003 . 1 . . . . 162 ASP N . 25356 1 534 . 1 1 167 167 ARG H H 1 7.990 0.004 . 1 . . . . 163 ARG HN . 25356 1 535 . 1 1 167 167 ARG CA C 13 59.776 0.054 . 1 . . . . 163 ARG CA . 25356 1 536 . 1 1 167 167 ARG CB C 13 32.640 0.000 . 1 . . . . 163 ARG CB . 25356 1 537 . 1 1 167 167 ARG N N 15 123.221 0.049 . 1 . . . . 163 ARG N . 25356 1 538 . 1 1 168 168 LYS C C 13 177.499 0.006 . 1 . . . . 164 LYS CO . 25356 1 539 . 1 1 168 168 LYS CA C 13 59.913 0.064 . 1 . . . . 164 LYS CA . 25356 1 540 . 1 1 168 168 LYS CB C 13 31.221 0.000 . 1 . . . . 164 LYS CB . 25356 1 541 . 1 1 169 169 CYS H H 1 7.959 0.003 . 1 . . . . 165 CYS HN . 25356 1 542 . 1 1 169 169 CYS C C 13 178.752 0.012 . 1 . . . . 165 CYS CO . 25356 1 543 . 1 1 169 169 CYS CA C 13 62.131 0.042 . 1 . . . . 165 CYS CA . 25356 1 544 . 1 1 169 169 CYS CB C 13 26.339 0.081 . 1 . . . . 165 CYS CB . 25356 1 545 . 1 1 169 169 CYS N N 15 120.043 0.079 . 1 . . . . 165 CYS N . 25356 1 546 . 1 1 170 170 TYR H H 1 8.716 0.008 . 1 . . . . 166 TYR HN . 25356 1 547 . 1 1 170 170 TYR C C 13 175.888 0.029 . 1 . . . . 166 TYR CO . 25356 1 548 . 1 1 170 170 TYR CA C 13 62.767 0.088 . 1 . . . . 166 TYR CA . 25356 1 549 . 1 1 170 170 TYR CB C 13 38.903 0.266 . 1 . . . . 166 TYR CB . 25356 1 550 . 1 1 170 170 TYR N N 15 124.186 0.072 . 1 . . . . 166 TYR N . 25356 1 551 . 1 1 171 171 ALA H H 1 8.495 0.005 . 1 . . . . 167 ALA HN . 25356 1 552 . 1 1 171 171 ALA C C 13 177.517 0.012 . 1 . . . . 167 ALA CO . 25356 1 553 . 1 1 171 171 ALA CA C 13 55.898 0.038 . 1 . . . . 167 ALA CA . 25356 1 554 . 1 1 171 171 ALA CB C 13 17.966 0.000 . 1 . . . . 167 ALA CB . 25356 1 555 . 1 1 171 171 ALA N N 15 124.460 0.037 . 1 . . . . 167 ALA N . 25356 1 556 . 1 1 172 172 ASP H H 1 8.192 0.005 . 1 . . . . 168 ASP HN . 25356 1 557 . 1 1 172 172 ASP C C 13 180.079 0.004 . 1 . . . . 168 ASP CO . 25356 1 558 . 1 1 172 172 ASP CA C 13 57.548 0.070 . 1 . . . . 168 ASP CA . 25356 1 559 . 1 1 172 172 ASP CB C 13 40.100 0.026 . 1 . . . . 168 ASP CB . 25356 1 560 . 1 1 172 172 ASP N N 15 116.748 0.028 . 1 . . . . 168 ASP N . 25356 1 561 . 1 1 173 173 THR H H 1 8.076 0.005 . 1 . . . . 169 THR HN . 25356 1 562 . 1 1 173 173 THR C C 13 176.748 0.000 . 1 . . . . 169 THR CO . 25356 1 563 . 1 1 173 173 THR CA C 13 67.651 0.097 . 1 . . . . 169 THR CA . 25356 1 564 . 1 1 173 173 THR N N 15 119.563 0.038 . 1 . . . . 169 THR N . 25356 1 565 . 1 1 174 174 MET H H 1 8.289 0.007 . 1 . . . . 170 MET HN . 25356 1 566 . 1 1 174 174 MET C C 13 179.439 0.033 . 1 . . . . 170 MET CO . 25356 1 567 . 1 1 174 174 MET CA C 13 56.655 0.037 . 1 . . . . 170 MET CA . 25356 1 568 . 1 1 174 174 MET CB C 13 29.479 0.033 . 1 . . . . 170 MET CB . 25356 1 569 . 1 1 174 174 MET N N 15 122.765 0.038 . 1 . . . . 170 MET N . 25356 1 570 . 1 1 175 175 PHE H H 1 8.426 0.006 . 1 . . . . 171 PHE HN . 25356 1 571 . 1 1 175 175 PHE C C 13 179.231 0.023 . 1 . . . . 171 PHE CO . 25356 1 572 . 1 1 175 175 PHE CA C 13 59.677 0.043 . 1 . . . . 171 PHE CA . 25356 1 573 . 1 1 175 175 PHE CB C 13 37.678 0.065 . 1 . . . . 171 PHE CB . 25356 1 574 . 1 1 175 175 PHE N N 15 117.432 0.044 . 1 . . . . 171 PHE N . 25356 1 575 . 1 1 176 176 SER H H 1 7.460 0.010 . 1 . . . . 172 SER HN . 25356 1 576 . 1 1 176 176 SER C C 13 173.897 0.025 . 1 . . . . 172 SER CO . 25356 1 577 . 1 1 176 176 SER CA C 13 60.930 0.065 . 1 . . . . 172 SER CA . 25356 1 578 . 1 1 176 176 SER CB C 13 63.486 0.052 . 1 . . . . 172 SER CB . 25356 1 579 . 1 1 176 176 SER N N 15 115.161 0.024 . 1 . . . . 172 SER N . 25356 1 580 . 1 1 177 177 LEU H H 1 7.460 0.005 . 1 . . . . 173 LEU HN . 25356 1 581 . 1 1 177 177 LEU C C 13 176.148 0.025 . 1 . . . . 173 LEU CO . 25356 1 582 . 1 1 177 177 LEU CA C 13 54.584 0.026 . 1 . . . . 173 LEU CA . 25356 1 583 . 1 1 177 177 LEU CB C 13 42.285 0.057 . 1 . . . . 173 LEU CB . 25356 1 584 . 1 1 177 177 LEU N N 15 121.186 0.063 . 1 . . . . 173 LEU N . 25356 1 585 . 1 1 178 178 LEU H H 1 6.901 0.008 . 1 . . . . 174 LEU HN . 25356 1 586 . 1 1 178 178 LEU C C 13 178.020 0.023 . 1 . . . . 174 LEU CO . 25356 1 587 . 1 1 178 178 LEU CA C 13 55.230 0.082 . 1 . . . . 174 LEU CA . 25356 1 588 . 1 1 178 178 LEU CB C 13 42.346 0.084 . 1 . . . . 174 LEU CB . 25356 1 589 . 1 1 178 178 LEU N N 15 120.257 0.031 . 1 . . . . 174 LEU N . 25356 1 590 . 1 1 179 179 GLY H H 1 8.459 0.006 . 1 . . . . 175 GLY HN . 25356 1 591 . 1 1 179 179 GLY C C 13 172.639 0.044 . 1 . . . . 175 GLY CO . 25356 1 592 . 1 1 179 179 GLY CA C 13 43.912 0.050 . 1 . . . . 175 GLY CA . 25356 1 593 . 1 1 179 179 GLY N N 15 110.228 0.056 . 1 . . . . 175 GLY N . 25356 1 594 . 1 1 180 180 LYS H H 1 8.143 0.004 . 1 . . . . 176 LYS HN . 25356 1 595 . 1 1 180 180 LYS C C 13 177.508 0.009 . 1 . . . . 176 LYS CO . 25356 1 596 . 1 1 180 180 LYS CA C 13 58.247 0.018 . 1 . . . . 176 LYS CA . 25356 1 597 . 1 1 180 180 LYS CB C 13 32.736 0.073 . 1 . . . . 176 LYS CB . 25356 1 598 . 1 1 180 180 LYS N N 15 118.944 0.036 . 1 . . . . 176 LYS N . 25356 1 599 . 1 1 181 181 LYS H H 1 8.036 0.009 . 1 . . . . 177 LYS HN . 25356 1 600 . 1 1 181 181 LYS C C 13 175.909 0.000 . 1 . . . . 177 LYS CO . 25356 1 601 . 1 1 181 181 LYS CA C 13 55.316 0.024 . 1 . . . . 177 LYS CA . 25356 1 602 . 1 1 181 181 LYS CB C 13 32.940 0.000 . 1 . . . . 177 LYS CB . 25356 1 603 . 1 1 181 181 LYS N N 15 116.938 0.067 . 1 . . . . 177 LYS N . 25356 1 604 . 1 1 182 182 PHE H H 1 7.659 0.003 . 1 . . . . 178 PHE HN . 25356 1 605 . 1 1 182 182 PHE C C 13 174.419 0.041 . 1 . . . . 178 PHE CO . 25356 1 606 . 1 1 182 182 PHE CA C 13 56.529 0.088 . 1 . . . . 178 PHE CA . 25356 1 607 . 1 1 182 182 PHE CB C 13 40.854 0.094 . 1 . . . . 178 PHE CB . 25356 1 608 . 1 1 182 182 PHE N N 15 117.672 0.093 . 1 . . . . 178 PHE N . 25356 1 609 . 1 1 183 183 GLN H H 1 7.886 0.009 . 1 . . . . 179 GLN HN . 25356 1 610 . 1 1 183 183 GLN C C 13 172.695 0.028 . 1 . . . . 179 GLN CO . 25356 1 611 . 1 1 183 183 GLN CA C 13 55.653 0.101 . 1 . . . . 179 GLN CA . 25356 1 612 . 1 1 183 183 GLN CB C 13 32.431 0.050 . 1 . . . . 179 GLN CB . 25356 1 613 . 1 1 183 183 GLN N N 15 116.458 0.037 . 1 . . . . 179 GLN N . 25356 1 614 . 1 1 184 184 TYR H H 1 9.658 0.013 . 1 . . . . 180 TYR HN . 25356 1 615 . 1 1 184 184 TYR C C 13 173.638 0.000 . 1 . . . . 180 TYR CO . 25356 1 616 . 1 1 184 184 TYR CA C 13 54.843 0.047 . 1 . . . . 180 TYR CA . 25356 1 617 . 1 1 184 184 TYR CB C 13 39.608 0.140 . 1 . . . . 180 TYR CB . 25356 1 618 . 1 1 184 184 TYR N N 15 129.878 0.041 . 1 . . . . 180 TYR N . 25356 1 619 . 1 1 185 185 LEU H H 1 8.975 0.009 . 1 . . . . 181 LEU HN . 25356 1 620 . 1 1 185 185 LEU C C 13 173.150 0.000 . 1 . . . . 181 LEU CO . 25356 1 621 . 1 1 185 185 LEU CA C 13 54.124 0.028 . 1 . . . . 181 LEU CA . 25356 1 622 . 1 1 185 185 LEU CB C 13 42.861 0.018 . 1 . . . . 181 LEU CB . 25356 1 623 . 1 1 185 185 LEU N N 15 131.205 0.039 . 1 . . . . 181 LEU N . 25356 1 624 . 1 1 186 186 LEU H H 1 8.802 0.006 . 1 . . . . 182 LEU HN . 25356 1 625 . 1 1 186 186 LEU CA C 13 53.177 0.000 . 1 . . . . 182 LEU CA . 25356 1 626 . 1 1 186 186 LEU CB C 13 46.067 0.000 . 1 . . . . 182 LEU CB . 25356 1 627 . 1 1 186 186 LEU N N 15 126.823 0.011 . 1 . . . . 182 LEU N . 25356 1 628 . 1 1 187 187 CYS C C 13 175.694 0.000 . 1 . . . . 183 CYS CO . 25356 1 629 . 1 1 187 187 CYS CA C 13 56.067 0.039 . 1 . . . . 183 CYS CA . 25356 1 630 . 1 1 187 187 CYS CB C 13 29.446 0.000 . 1 . . . . 183 CYS CB . 25356 1 631 . 1 1 188 188 VAL H H 1 8.100 0.004 . 1 . . . . 184 VAL HN . 25356 1 632 . 1 1 188 188 VAL C C 13 175.971 0.014 . 1 . . . . 184 VAL CO . 25356 1 633 . 1 1 188 188 VAL CA C 13 62.485 0.021 . 1 . . . . 184 VAL CA . 25356 1 634 . 1 1 188 188 VAL CB C 13 32.472 0.031 . 1 . . . . 184 VAL CB . 25356 1 635 . 1 1 188 188 VAL N N 15 122.622 0.091 . 1 . . . . 184 VAL N . 25356 1 636 . 1 1 189 189 LEU H H 1 8.246 0.008 . 1 . . . . 185 LEU HN . 25356 1 637 . 1 1 189 189 LEU C C 13 177.383 0.000 . 1 . . . . 185 LEU CO . 25356 1 638 . 1 1 189 189 LEU CA C 13 55.127 0.000 . 1 . . . . 185 LEU CA . 25356 1 639 . 1 1 189 189 LEU CB C 13 42.536 0.000 . 1 . . . . 185 LEU CB . 25356 1 640 . 1 1 189 189 LEU N N 15 126.892 0.097 . 1 . . . . 185 LEU N . 25356 1 641 . 1 1 190 190 SER C C 13 172.695 0.000 . 1 . . . . 186 SER CO . 25356 1 642 . 1 1 190 190 SER CA C 13 58.459 0.096 . 1 . . . . 186 SER CA . 25356 1 643 . 1 1 190 190 SER CB C 13 64.139 0.000 . 1 . . . . 186 SER CB . 25356 1 644 . 1 1 191 191 TYR H H 1 6.893 0.009 . 1 . . . . 187 TYR HN . 25356 1 645 . 1 1 191 191 TYR C C 13 172.004 0.000 . 1 . . . . 187 TYR CO . 25356 1 646 . 1 1 191 191 TYR CA C 13 55.767 0.056 . 1 . . . . 187 TYR CA . 25356 1 647 . 1 1 191 191 TYR CB C 13 39.432 0.000 . 1 . . . . 187 TYR CB . 25356 1 648 . 1 1 191 191 TYR N N 15 122.460 0.048 . 1 . . . . 187 TYR N . 25356 1 649 . 1 1 194 194 THR C C 13 176.170 0.000 . 1 . . . . 190 THR CO . 25356 1 650 . 1 1 194 194 THR CA C 13 63.568 0.107 . 1 . . . . 190 THR CA . 25356 1 651 . 1 1 195 195 LYS H H 1 7.632 0.005 . 1 . . . . 191 LYS HN . 25356 1 652 . 1 1 195 195 LYS C C 13 175.050 0.000 . 1 . . . . 191 LYS CO . 25356 1 653 . 1 1 195 195 LYS CA C 13 55.997 0.000 . 1 . . . . 191 LYS CA . 25356 1 654 . 1 1 195 195 LYS CB C 13 34.566 0.000 . 1 . . . . 191 LYS CB . 25356 1 655 . 1 1 195 195 LYS N N 15 120.498 0.043 . 1 . . . . 191 LYS N . 25356 1 656 . 1 1 205 205 HIS C C 13 177.256 0.000 . 1 . . . . 201 HIS CO . 25356 1 657 . 1 1 205 205 HIS CA C 13 61.503 0.000 . 1 . . . . 201 HIS CA . 25356 1 658 . 1 1 206 206 ALA H H 1 8.773 0.016 . 1 . . . . 202 ALA HN . 25356 1 659 . 1 1 206 206 ALA C C 13 180.462 0.000 . 1 . . . . 202 ALA CO . 25356 1 660 . 1 1 206 206 ALA CA C 13 54.893 0.029 . 1 . . . . 202 ALA CA . 25356 1 661 . 1 1 206 206 ALA CB C 13 18.443 0.000 . 1 . . . . 202 ALA CB . 25356 1 662 . 1 1 206 206 ALA N N 15 117.585 0.060 . 1 . . . . 202 ALA N . 25356 1 663 . 1 1 207 207 GLU H H 1 7.256 0.005 . 1 . . . . 203 GLU HN . 25356 1 664 . 1 1 207 207 GLU C C 13 177.567 0.021 . 1 . . . . 203 GLU CO . 25356 1 665 . 1 1 207 207 GLU CA C 13 57.519 0.146 . 1 . . . . 203 GLU CA . 25356 1 666 . 1 1 207 207 GLU CB C 13 29.406 0.000 . 1 . . . . 203 GLU CB . 25356 1 667 . 1 1 207 207 GLU N N 15 119.569 0.128 . 1 . . . . 203 GLU N . 25356 1 668 . 1 1 208 208 ILE H H 1 7.294 0.005 . 1 . . . . 204 ILE HN . 25356 1 669 . 1 1 208 208 ILE C C 13 178.333 0.000 . 1 . . . . 204 ILE CO . 25356 1 670 . 1 1 208 208 ILE CA C 13 65.724 0.034 . 1 . . . . 204 ILE CA . 25356 1 671 . 1 1 208 208 ILE CB C 13 37.094 0.000 . 1 . . . . 204 ILE CB . 25356 1 672 . 1 1 208 208 ILE N N 15 122.346 0.068 . 1 . . . . 204 ILE N . 25356 1 673 . 1 1 209 209 GLU H H 1 7.811 0.007 . 1 . . . . 205 GLU HN . 25356 1 674 . 1 1 209 209 GLU C C 13 180.663 0.000 . 1 . . . . 205 GLU CO . 25356 1 675 . 1 1 209 209 GLU CA C 13 59.965 0.122 . 1 . . . . 205 GLU CA . 25356 1 676 . 1 1 209 209 GLU CB C 13 29.457 0.142 . 1 . . . . 205 GLU CB . 25356 1 677 . 1 1 209 209 GLU N N 15 118.418 0.046 . 1 . . . . 205 GLU N . 25356 1 678 . 1 1 210 210 ARG H H 1 7.762 0.006 . 1 . . . . 206 ARG HN . 25356 1 679 . 1 1 210 210 ARG C C 13 178.706 0.045 . 1 . . . . 206 ARG CO . 25356 1 680 . 1 1 210 210 ARG CA C 13 59.862 0.015 . 1 . . . . 206 ARG CA . 25356 1 681 . 1 1 210 210 ARG CB C 13 31.011 0.110 . 1 . . . . 206 ARG CB . 25356 1 682 . 1 1 210 210 ARG N N 15 121.757 0.059 . 1 . . . . 206 ARG N . 25356 1 683 . 1 1 211 211 LEU H H 1 8.060 0.007 . 1 . . . . 207 LEU HN . 25356 1 684 . 1 1 211 211 LEU C C 13 178.623 0.000 . 1 . . . . 207 LEU CO . 25356 1 685 . 1 1 211 211 LEU CA C 13 56.722 0.128 . 1 . . . . 207 LEU CA . 25356 1 686 . 1 1 211 211 LEU CB C 13 43.540 0.000 . 1 . . . . 207 LEU CB . 25356 1 687 . 1 1 211 211 LEU N N 15 117.775 0.104 . 1 . . . . 207 LEU N . 25356 1 688 . 1 1 212 212 PHE H H 1 8.210 0.015 . 1 . . . . 208 PHE HN . 25356 1 689 . 1 1 212 212 PHE C C 13 177.715 0.010 . 1 . . . . 208 PHE CO . 25356 1 690 . 1 1 212 212 PHE CA C 13 58.775 0.039 . 1 . . . . 208 PHE CA . 25356 1 691 . 1 1 212 212 PHE CB C 13 40.870 0.000 . 1 . . . . 208 PHE CB . 25356 1 692 . 1 1 212 212 PHE N N 15 112.462 0.111 . 1 . . . . 208 PHE N . 25356 1 693 . 1 1 213 213 GLY H H 1 8.404 0.008 . 1 . . . . 209 GLY HN . 25356 1 694 . 1 1 213 213 GLY C C 13 174.343 0.000 . 1 . . . . 209 GLY CO . 25356 1 695 . 1 1 213 213 GLY CA C 13 47.416 0.055 . 1 . . . . 209 GLY CA . 25356 1 696 . 1 1 213 213 GLY N N 15 109.951 0.048 . 1 . . . . 209 GLY N . 25356 1 697 . 1 1 214 214 LYS C C 13 177.815 0.000 . 1 . . . . 210 LYS CO . 25356 1 698 . 1 1 214 214 LYS CA C 13 58.447 0.049 . 1 . . . . 210 LYS CA . 25356 1 699 . 1 1 214 214 LYS CB C 13 32.314 0.000 . 1 . . . . 210 LYS CB . 25356 1 700 . 1 1 215 215 ILE H H 1 6.897 0.006 . 1 . . . . 211 ILE HN . 25356 1 701 . 1 1 215 215 ILE C C 13 175.409 0.000 . 1 . . . . 211 ILE CO . 25356 1 702 . 1 1 215 215 ILE CA C 13 60.336 0.055 . 1 . . . . 211 ILE CA . 25356 1 703 . 1 1 215 215 ILE CB C 13 39.912 0.075 . 1 . . . . 211 ILE CB . 25356 1 704 . 1 1 215 215 ILE N N 15 113.832 0.049 . 1 . . . . 211 ILE N . 25356 1 705 . 1 1 216 216 CYS H H 1 8.058 0.005 . 1 . . . . 212 CYS HN . 25356 1 706 . 1 1 216 216 CYS C C 13 175.620 0.011 . 1 . . . . 212 CYS CO . 25356 1 707 . 1 1 216 216 CYS CA C 13 57.419 0.052 . 1 . . . . 212 CYS CA . 25356 1 708 . 1 1 216 216 CYS CB C 13 30.589 0.094 . 1 . . . . 212 CYS CB . 25356 1 709 . 1 1 216 216 CYS N N 15 117.095 0.062 . 1 . . . . 212 CYS N . 25356 1 710 . 1 1 217 217 ASN H H 1 8.946 0.009 . 1 . . . . 213 ASN HN . 25356 1 711 . 1 1 217 217 ASN C C 13 175.123 0.030 . 1 . . . . 213 ASN CO . 25356 1 712 . 1 1 217 217 ASN CA C 13 53.424 0.097 . 1 . . . . 213 ASN CA . 25356 1 713 . 1 1 217 217 ASN CB C 13 39.689 0.004 . 1 . . . . 213 ASN CB . 25356 1 714 . 1 1 217 217 ASN N N 15 121.711 0.068 . 1 . . . . 213 ASN N . 25356 1 715 . 1 1 218 218 ILE H H 1 8.609 0.005 . 1 . . . . 214 ILE HN . 25356 1 716 . 1 1 218 218 ILE C C 13 175.143 0.000 . 1 . . . . 214 ILE CO . 25356 1 717 . 1 1 218 218 ILE CA C 13 61.743 0.122 . 1 . . . . 214 ILE CA . 25356 1 718 . 1 1 218 218 ILE CB C 13 40.839 0.082 . 1 . . . . 214 ILE CB . 25356 1 719 . 1 1 218 218 ILE N N 15 124.337 0.022 . 1 . . . . 214 ILE N . 25356 1 720 . 1 1 219 219 ARG H H 1 8.382 0.009 . 1 . . . . 215 ARG HN . 25356 1 721 . 1 1 219 219 ARG C C 13 173.936 0.000 . 1 . . . . 215 ARG CO . 25356 1 722 . 1 1 219 219 ARG CA C 13 54.715 0.085 . 1 . . . . 215 ARG CA . 25356 1 723 . 1 1 219 219 ARG CB C 13 34.268 0.000 . 1 . . . . 215 ARG CB . 25356 1 724 . 1 1 219 219 ARG N N 15 127.837 0.056 . 1 . . . . 215 ARG N . 25356 1 725 . 1 1 220 220 CYS C C 13 174.721 0.000 . 1 . . . . 216 CYS CO . 25356 1 726 . 1 1 220 220 CYS CA C 13 59.117 0.119 . 1 . . . . 216 CYS CA . 25356 1 727 . 1 1 220 220 CYS CB C 13 26.431 0.000 . 1 . . . . 216 CYS CB . 25356 1 728 . 1 1 221 221 LEU H H 1 9.461 0.013 . 1 . . . . 217 LEU HN . 25356 1 729 . 1 1 221 221 LEU C C 13 177.452 0.000 . 1 . . . . 217 LEU CO . 25356 1 730 . 1 1 221 221 LEU CA C 13 56.681 0.008 . 1 . . . . 217 LEU CA . 25356 1 731 . 1 1 221 221 LEU CB C 13 43.783 0.000 . 1 . . . . 217 LEU CB . 25356 1 732 . 1 1 221 221 LEU N N 15 131.425 0.053 . 1 . . . . 217 LEU N . 25356 1 733 . 1 1 222 222 GLU H H 1 7.399 0.007 . 1 . . . . 218 GLU HN . 25356 1 734 . 1 1 222 222 GLU C C 13 173.221 0.010 . 1 . . . . 218 GLU CO . 25356 1 735 . 1 1 222 222 GLU CA C 13 55.807 0.086 . 1 . . . . 218 GLU CA . 25356 1 736 . 1 1 222 222 GLU CB C 13 34.544 0.008 . 1 . . . . 218 GLU CB . 25356 1 737 . 1 1 222 222 GLU N N 15 116.127 0.045 . 1 . . . . 218 GLU N . 25356 1 738 . 1 1 223 223 LYS H H 1 8.448 0.007 . 1 . . . . 219 LYS HN . 25356 1 739 . 1 1 223 223 LYS C C 13 175.275 0.022 . 1 . . . . 219 LYS CO . 25356 1 740 . 1 1 223 223 LYS CA C 13 55.432 0.094 . 1 . . . . 219 LYS CA . 25356 1 741 . 1 1 223 223 LYS CB C 13 35.198 0.000 . 1 . . . . 219 LYS CB . 25356 1 742 . 1 1 223 223 LYS N N 15 124.432 0.055 . 1 . . . . 219 LYS N . 25356 1 743 . 1 1 224 224 VAL H H 1 9.338 0.010 . 1 . . . . 220 VAL HN . 25356 1 744 . 1 1 224 224 VAL C C 13 174.660 0.000 . 1 . . . . 220 VAL CO . 25356 1 745 . 1 1 224 224 VAL CA C 13 59.189 0.052 . 1 . . . . 220 VAL CA . 25356 1 746 . 1 1 224 224 VAL N N 15 121.692 0.060 . 1 . . . . 220 VAL N . 25356 1 747 . 1 1 225 225 ASP H H 1 8.692 0.005 . 1 . . . . 221 ASP HN . 25356 1 748 . 1 1 225 225 ASP CA C 13 55.048 0.173 . 1 . . . . 221 ASP CA . 25356 1 749 . 1 1 225 225 ASP CB C 13 40.443 0.000 . 1 . . . . 221 ASP CB . 25356 1 750 . 1 1 225 225 ASP N N 15 124.693 0.047 . 1 . . . . 221 ASP N . 25356 1 751 . 1 1 226 226 ALA H H 1 7.217 0.008 . 1 . . . . 222 ALA HN . 25356 1 752 . 1 1 226 226 ALA CB C 13 19.478 0.000 . 1 . . . . 222 ALA CB . 25356 1 753 . 1 1 226 226 ALA N N 15 119.353 0.063 . 1 . . . . 222 ALA N . 25356 1 754 . 1 1 232 232 LYS C C 13 177.041 0.023 . 1 . . . . 228 LYS CO . 25356 1 755 . 1 1 232 232 LYS CA C 13 54.382 0.066 . 1 . . . . 228 LYS CA . 25356 1 756 . 1 1 232 232 LYS CB C 13 35.671 0.000 . 1 . . . . 228 LYS CB . 25356 1 757 . 1 1 233 233 SER H H 1 9.176 0.006 . 1 . . . . 229 SER HN . 25356 1 758 . 1 1 233 233 SER C C 13 176.899 0.000 . 1 . . . . 229 SER CO . 25356 1 759 . 1 1 233 233 SER CA C 13 58.170 0.103 . 1 . . . . 229 SER CA . 25356 1 760 . 1 1 233 233 SER CB C 13 64.492 0.001 . 1 . . . . 229 SER CB . 25356 1 761 . 1 1 233 233 SER N N 15 119.132 0.033 . 1 . . . . 229 SER N . 25356 1 762 . 1 1 234 234 TRP H H 1 8.913 0.003 . 1 . . . . 230 TRP HN . 25356 1 763 . 1 1 234 234 TRP CA C 13 61.346 0.000 . 1 . . . . 230 TRP CA . 25356 1 764 . 1 1 234 234 TRP N N 15 122.311 0.024 . 1 . . . . 230 TRP N . 25356 1 765 . 1 1 242 242 LYS C C 13 174.327 0.027 . 1 . . . . 238 LYS CO . 25356 1 766 . 1 1 242 242 LYS CA C 13 54.623 0.028 . 1 . . . . 238 LYS CA . 25356 1 767 . 1 1 242 242 LYS CB C 13 36.281 0.000 . 1 . . . . 238 LYS CB . 25356 1 768 . 1 1 243 243 LEU H H 1 8.224 0.008 . 1 . . . . 239 LEU HN . 25356 1 769 . 1 1 243 243 LEU C C 13 174.440 0.000 . 1 . . . . 239 LEU CO . 25356 1 770 . 1 1 243 243 LEU CA C 13 53.245 0.041 . 1 . . . . 239 LEU CA . 25356 1 771 . 1 1 243 243 LEU CB C 13 44.698 0.011 . 1 . . . . 239 LEU CB . 25356 1 772 . 1 1 243 243 LEU N N 15 123.672 0.039 . 1 . . . . 239 LEU N . 25356 1 773 . 1 1 244 244 TYR H H 1 10.203 0.008 . 1 . . . . 240 TYR HN . 25356 1 774 . 1 1 244 244 TYR C C 13 173.717 0.000 . 1 . . . . 240 TYR CO . 25356 1 775 . 1 1 244 244 TYR CA C 13 57.210 0.046 . 1 . . . . 240 TYR CA . 25356 1 776 . 1 1 244 244 TYR CB C 13 42.286 0.000 . 1 . . . . 240 TYR CB . 25356 1 777 . 1 1 244 244 TYR N N 15 128.044 0.048 . 1 . . . . 240 TYR N . 25356 1 778 . 1 1 245 245 LEU H H 1 9.138 0.012 . 1 . . . . 241 LEU HN . 25356 1 779 . 1 1 245 245 LEU C C 13 174.710 0.000 . 1 . . . . 241 LEU CO . 25356 1 780 . 1 1 245 245 LEU CA C 13 53.748 0.061 . 1 . . . . 241 LEU CA . 25356 1 781 . 1 1 245 245 LEU CB C 13 45.290 0.107 . 1 . . . . 241 LEU CB . 25356 1 782 . 1 1 245 245 LEU N N 15 120.886 0.039 . 1 . . . . 241 LEU N . 25356 1 783 . 1 1 246 246 LEU H H 1 9.896 0.006 . 1 . . . . 242 LEU HN . 25356 1 784 . 1 1 246 246 LEU C C 13 175.746 0.140 . 1 . . . . 242 LEU CO . 25356 1 785 . 1 1 246 246 LEU CA C 13 54.053 0.064 . 1 . . . . 242 LEU CA . 25356 1 786 . 1 1 246 246 LEU CB C 13 42.650 0.000 . 1 . . . . 242 LEU CB . 25356 1 787 . 1 1 246 246 LEU N N 15 134.694 0.045 . 1 . . . . 242 LEU N . 25356 1 788 . 1 1 247 247 THR H H 1 8.201 0.006 . 1 . . . . 243 THR HN . 25356 1 789 . 1 1 247 247 THR C C 13 173.572 0.007 . 1 . . . . 243 THR CO . 25356 1 790 . 1 1 247 247 THR CA C 13 59.340 0.066 . 1 . . . . 243 THR CA . 25356 1 791 . 1 1 247 247 THR CB C 13 72.865 0.079 . 1 . . . . 243 THR CB . 25356 1 792 . 1 1 247 247 THR N N 15 112.680 0.047 . 1 . . . . 243 THR N . 25356 1 793 . 1 1 248 248 GLU H H 1 8.378 0.005 . 1 . . . . 244 GLU HN . 25356 1 794 . 1 1 248 248 GLU C C 13 175.635 0.011 . 1 . . . . 244 GLU CO . 25356 1 795 . 1 1 248 248 GLU CA C 13 57.431 0.039 . 1 . . . . 244 GLU CA . 25356 1 796 . 1 1 248 248 GLU CB C 13 28.911 0.026 . 1 . . . . 244 GLU CB . 25356 1 797 . 1 1 248 248 GLU N N 15 122.528 0.042 . 1 . . . . 244 GLU N . 25356 1 798 . 1 1 249 249 LYS H H 1 7.668 0.004 . 1 . . . . 245 LYS HN . 25356 1 799 . 1 1 249 249 LYS C C 13 182.067 0.000 . 1 . . . . 245 LYS CO . 25356 1 800 . 1 1 249 249 LYS CA C 13 58.561 0.004 . 1 . . . . 245 LYS CA . 25356 1 801 . 1 1 249 249 LYS CB C 13 33.997 0.000 . 1 . . . . 245 LYS CB . 25356 1 802 . 1 1 249 249 LYS N N 15 127.875 0.021 . 1 . . . . 245 LYS N . 25356 1 stop_ save_