data_51165 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51165 _Entry.Title ; Backbone assignment of Verona integron encoded metallo-beta-lactamase 2 (VIM-2) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-11-02 _Entry.Accession_date 2021-11-02 _Entry.Last_release_date 2021-11-04 _Entry.Original_release_date 2021-11-04 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Lianne Wieske . H.E. . . 51165 2 Jonathan Bogaerts . . . . 51165 3 Albin Leding . A.M. . . 51165 4 Scott Wilcox . . . . 51165 5 Anna 'Andersson Rasmussen' . . . . 51165 6 Kinga Leszczak . . . . 51165 7 Lotta Turunen . . . . 51165 8 Wouter Herrebout . . . . 51165 9 Madlen Hubert . . . . 51165 10 Annette Bayer . . . . 51165 11 Mate Erdelyi . . . . 51165 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 3 51165 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 1438 51165 '15N chemical shifts' 552 51165 '1H chemical shifts' 552 51165 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2022-03-07 . original BMRB . 51165 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51165 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI 10.1021/acsmedchemlett.1c00635 _Citation.Full_citation . _Citation.Title ; NMR Backbone Assignment of VIM-2 and Identification of the Active Enantiomer of a Potential Inhibitor ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'ACS Med. Chem. Lett.' _Citation.Journal_name_full . _Citation.Journal_volume 13 _Citation.Journal_issue 2 _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 257 _Citation.Page_last 261 _Citation.Year 2022 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Lianne Wieske . H.E. . . 51165 1 2 Jonathan Bogaerts . . . . 51165 1 3 Albin Leding . A.M. . . 51165 1 4 Scott Wilcox . . . . 51165 1 5 Anna 'Andersson Rasmussen' . . . . 51165 1 6 Kinga Leszczak . . . . 51165 1 7 Lotta Turunen . . . . 51165 1 8 Wouter Herrebout . . . . 51165 1 9 Madlen Hubert . . . . 51165 1 10 Annette Bayer . . . . 51165 1 11 Mate Erdelyi . . . . 51165 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51165 _Assembly.ID 1 _Assembly.Name 'VIM-2 Zn' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 2 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange yes _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 VIM-2 1 $entity_1 . . yes native no no . . . 51165 1 2 'Zn, 1' 2 $entity_ZN . . no native no no . . . 51165 1 3 'Zn, 2' 2 $entity_ZN . . no native no no . . . 51165 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51165 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; VDSSGEYPTVSEIPVGEVRL YQIADGVWSHIATQSFDGAV YPSNGLIVRDGDELLLIDTA WGAKNTAALLAEIEKQIGLP VTRAVSTHFHDDRVGGVDVL RAAGVATYASPSTRRLAEVE GNEIPTHSLEGLSSSGDAVR FGPVELFYPGAAHSTDNLVV YVPSASVLYGGCAIYELSRT SAGNVADADLAEWPTSIERI QQHYPEAQFVIPGHGLPGGL DLLKHTTNVVKAHTNRSVVE ; _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 240 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 25 VAL . 51165 1 2 26 ASP . 51165 1 3 27 SER . 51165 1 4 28 SER . 51165 1 5 29 GLY . 51165 1 6 30 GLU . 51165 1 7 31 TYR . 51165 1 8 32 PRO . 51165 1 9 33 THR . 51165 1 10 34 VAL . 51165 1 11 35 SER . 51165 1 12 36 GLU . 51165 1 13 37 ILE . 51165 1 14 38 PRO . 51165 1 15 39 VAL . 51165 1 16 40 GLY . 51165 1 17 41 GLU . 51165 1 18 42 VAL . 51165 1 19 43 ARG . 51165 1 20 44 LEU . 51165 1 21 45 TYR . 51165 1 22 46 GLN . 51165 1 23 47 ILE . 51165 1 24 48 ALA . 51165 1 25 49 ASP . 51165 1 26 50 GLY . 51165 1 27 51 VAL . 51165 1 28 52 TRP . 51165 1 29 53 SER . 51165 1 30 54 HIS . 51165 1 31 55 ILE . 51165 1 32 56 ALA . 51165 1 33 57 THR . 51165 1 34 58 GLN . 51165 1 35 59 SER . 51165 1 36 60 PHE . 51165 1 37 61 ASP . 51165 1 38 62 GLY . 51165 1 39 63 ALA . 51165 1 40 64 VAL . 51165 1 41 65 TYR . 51165 1 42 66 PRO . 51165 1 43 67 SER . 51165 1 44 68 ASN . 51165 1 45 69 GLY . 51165 1 46 70 LEU . 51165 1 47 71 ILE . 51165 1 48 72 VAL . 51165 1 49 73 ARG . 51165 1 50 74 ASP . 51165 1 51 75 GLY . 51165 1 52 76 ASP . 51165 1 53 77 GLU . 51165 1 54 78 LEU . 51165 1 55 79 LEU . 51165 1 56 80 LEU . 51165 1 57 81 ILE . 51165 1 58 82 ASP . 51165 1 59 83 THR . 51165 1 60 84 ALA . 51165 1 61 85 TRP . 51165 1 62 86 GLY . 51165 1 63 87 ALA . 51165 1 64 88 LYS . 51165 1 65 89 ASN . 51165 1 66 90 THR . 51165 1 67 91 ALA . 51165 1 68 92 ALA . 51165 1 69 93 LEU . 51165 1 70 94 LEU . 51165 1 71 95 ALA . 51165 1 72 96 GLU . 51165 1 73 97 ILE . 51165 1 74 98 GLU . 51165 1 75 99 LYS . 51165 1 76 100 GLN . 51165 1 77 101 ILE . 51165 1 78 102 GLY . 51165 1 79 103 LEU . 51165 1 80 104 PRO . 51165 1 81 105 VAL . 51165 1 82 106 THR . 51165 1 83 107 ARG . 51165 1 84 108 ALA . 51165 1 85 109 VAL . 51165 1 86 110 SER . 51165 1 87 111 THR . 51165 1 88 112 HIS . 51165 1 89 113 PHE . 51165 1 90 114 HIS . 51165 1 91 115 ASP . 51165 1 92 116 ASP . 51165 1 93 117 ARG . 51165 1 94 118 VAL . 51165 1 95 119 GLY . 51165 1 96 120 GLY . 51165 1 97 121 VAL . 51165 1 98 122 ASP . 51165 1 99 123 VAL . 51165 1 100 124 LEU . 51165 1 101 125 ARG . 51165 1 102 126 ALA . 51165 1 103 127 ALA . 51165 1 104 128 GLY . 51165 1 105 129 VAL . 51165 1 106 130 ALA . 51165 1 107 131 THR . 51165 1 108 132 TYR . 51165 1 109 133 ALA . 51165 1 110 134 SER . 51165 1 111 135 PRO . 51165 1 112 136 SER . 51165 1 113 137 THR . 51165 1 114 138 ARG . 51165 1 115 139 ARG . 51165 1 116 140 LEU . 51165 1 117 141 ALA . 51165 1 118 142 GLU . 51165 1 119 143 VAL . 51165 1 120 144 GLU . 51165 1 121 145 GLY . 51165 1 122 146 ASN . 51165 1 123 147 GLU . 51165 1 124 148 ILE . 51165 1 125 149 PRO . 51165 1 126 150 THR . 51165 1 127 151 HIS . 51165 1 128 152 SER . 51165 1 129 153 LEU . 51165 1 130 154 GLU . 51165 1 131 155 GLY . 51165 1 132 156 LEU . 51165 1 133 157 SER . 51165 1 134 158 SER . 51165 1 135 159 SER . 51165 1 136 160 GLY . 51165 1 137 161 ASP . 51165 1 138 162 ALA . 51165 1 139 163 VAL . 51165 1 140 164 ARG . 51165 1 141 165 PHE . 51165 1 142 166 GLY . 51165 1 143 167 PRO . 51165 1 144 168 VAL . 51165 1 145 169 GLU . 51165 1 146 170 LEU . 51165 1 147 171 PHE . 51165 1 148 172 TYR . 51165 1 149 173 PRO . 51165 1 150 174 GLY . 51165 1 151 175 ALA . 51165 1 152 176 ALA . 51165 1 153 177 HIS . 51165 1 154 178 SER . 51165 1 155 179 THR . 51165 1 156 180 ASP . 51165 1 157 181 ASN . 51165 1 158 182 LEU . 51165 1 159 183 VAL . 51165 1 160 184 VAL . 51165 1 161 185 TYR . 51165 1 162 186 VAL . 51165 1 163 187 PRO . 51165 1 164 188 SER . 51165 1 165 189 ALA . 51165 1 166 190 SER . 51165 1 167 191 VAL . 51165 1 168 192 LEU . 51165 1 169 193 TYR . 51165 1 170 194 GLY . 51165 1 171 195 GLY . 51165 1 172 196 CYS . 51165 1 173 197 ALA . 51165 1 174 198 ILE . 51165 1 175 199 TYR . 51165 1 176 200 GLU . 51165 1 177 201 LEU . 51165 1 178 202 SER . 51165 1 179 203 ARG . 51165 1 180 204 THR . 51165 1 181 205 SER . 51165 1 182 206 ALA . 51165 1 183 207 GLY . 51165 1 184 208 ASN . 51165 1 185 209 VAL . 51165 1 186 210 ALA . 51165 1 187 211 ASP . 51165 1 188 212 ALA . 51165 1 189 213 ASP . 51165 1 190 214 LEU . 51165 1 191 215 ALA . 51165 1 192 216 GLU . 51165 1 193 217 TRP . 51165 1 194 218 PRO . 51165 1 195 219 THR . 51165 1 196 220 SER . 51165 1 197 221 ILE . 51165 1 198 222 GLU . 51165 1 199 223 ARG . 51165 1 200 224 ILE . 51165 1 201 225 GLN . 51165 1 202 226 GLN . 51165 1 203 227 HIS . 51165 1 204 228 TYR . 51165 1 205 229 PRO . 51165 1 206 230 GLU . 51165 1 207 231 ALA . 51165 1 208 232 GLN . 51165 1 209 233 PHE . 51165 1 210 234 VAL . 51165 1 211 235 ILE . 51165 1 212 236 PRO . 51165 1 213 237 GLY . 51165 1 214 238 HIS . 51165 1 215 239 GLY . 51165 1 216 240 LEU . 51165 1 217 241 PRO . 51165 1 218 242 GLY . 51165 1 219 243 GLY . 51165 1 220 244 LEU . 51165 1 221 245 ASP . 51165 1 222 246 LEU . 51165 1 223 247 LEU . 51165 1 224 248 LYS . 51165 1 225 249 HIS . 51165 1 226 250 THR . 51165 1 227 251 THR . 51165 1 228 252 ASN . 51165 1 229 253 VAL . 51165 1 230 254 VAL . 51165 1 231 255 LYS . 51165 1 232 256 ALA . 51165 1 233 257 HIS . 51165 1 234 258 THR . 51165 1 235 259 ASN . 51165 1 236 260 ARG . 51165 1 237 261 SER . 51165 1 238 262 VAL . 51165 1 239 263 VAL . 51165 1 240 264 GLU . 51165 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 . VAL 1 1 51165 1 . ASP 2 2 51165 1 . SER 3 3 51165 1 . SER 4 4 51165 1 . GLY 5 5 51165 1 . GLU 6 6 51165 1 . TYR 7 7 51165 1 . PRO 8 8 51165 1 . THR 9 9 51165 1 . VAL 10 10 51165 1 . SER 11 11 51165 1 . GLU 12 12 51165 1 . ILE 13 13 51165 1 . PRO 14 14 51165 1 . VAL 15 15 51165 1 . GLY 16 16 51165 1 . GLU 17 17 51165 1 . VAL 18 18 51165 1 . ARG 19 19 51165 1 . LEU 20 20 51165 1 . TYR 21 21 51165 1 . GLN 22 22 51165 1 . ILE 23 23 51165 1 . ALA 24 24 51165 1 . ASP 25 25 51165 1 . GLY 26 26 51165 1 . VAL 27 27 51165 1 . TRP 28 28 51165 1 . SER 29 29 51165 1 . HIS 30 30 51165 1 . ILE 31 31 51165 1 . ALA 32 32 51165 1 . THR 33 33 51165 1 . GLN 34 34 51165 1 . SER 35 35 51165 1 . PHE 36 36 51165 1 . ASP 37 37 51165 1 . GLY 38 38 51165 1 . ALA 39 39 51165 1 . VAL 40 40 51165 1 . TYR 41 41 51165 1 . PRO 42 42 51165 1 . SER 43 43 51165 1 . ASN 44 44 51165 1 . GLY 45 45 51165 1 . LEU 46 46 51165 1 . ILE 47 47 51165 1 . VAL 48 48 51165 1 . ARG 49 49 51165 1 . ASP 50 50 51165 1 . GLY 51 51 51165 1 . ASP 52 52 51165 1 . GLU 53 53 51165 1 . LEU 54 54 51165 1 . LEU 55 55 51165 1 . LEU 56 56 51165 1 . ILE 57 57 51165 1 . ASP 58 58 51165 1 . THR 59 59 51165 1 . ALA 60 60 51165 1 . TRP 61 61 51165 1 . GLY 62 62 51165 1 . ALA 63 63 51165 1 . LYS 64 64 51165 1 . ASN 65 65 51165 1 . THR 66 66 51165 1 . ALA 67 67 51165 1 . ALA 68 68 51165 1 . LEU 69 69 51165 1 . LEU 70 70 51165 1 . ALA 71 71 51165 1 . GLU 72 72 51165 1 . ILE 73 73 51165 1 . GLU 74 74 51165 1 . LYS 75 75 51165 1 . GLN 76 76 51165 1 . ILE 77 77 51165 1 . GLY 78 78 51165 1 . LEU 79 79 51165 1 . PRO 80 80 51165 1 . VAL 81 81 51165 1 . THR 82 82 51165 1 . ARG 83 83 51165 1 . ALA 84 84 51165 1 . VAL 85 85 51165 1 . SER 86 86 51165 1 . THR 87 87 51165 1 . HIS 88 88 51165 1 . PHE 89 89 51165 1 . HIS 90 90 51165 1 . ASP 91 91 51165 1 . ASP 92 92 51165 1 . ARG 93 93 51165 1 . VAL 94 94 51165 1 . GLY 95 95 51165 1 . GLY 96 96 51165 1 . VAL 97 97 51165 1 . ASP 98 98 51165 1 . VAL 99 99 51165 1 . LEU 100 100 51165 1 . ARG 101 101 51165 1 . ALA 102 102 51165 1 . ALA 103 103 51165 1 . GLY 104 104 51165 1 . VAL 105 105 51165 1 . ALA 106 106 51165 1 . THR 107 107 51165 1 . TYR 108 108 51165 1 . ALA 109 109 51165 1 . SER 110 110 51165 1 . PRO 111 111 51165 1 . SER 112 112 51165 1 . THR 113 113 51165 1 . ARG 114 114 51165 1 . ARG 115 115 51165 1 . LEU 116 116 51165 1 . ALA 117 117 51165 1 . GLU 118 118 51165 1 . VAL 119 119 51165 1 . GLU 120 120 51165 1 . GLY 121 121 51165 1 . ASN 122 122 51165 1 . GLU 123 123 51165 1 . ILE 124 124 51165 1 . PRO 125 125 51165 1 . THR 126 126 51165 1 . HIS 127 127 51165 1 . SER 128 128 51165 1 . LEU 129 129 51165 1 . GLU 130 130 51165 1 . GLY 131 131 51165 1 . LEU 132 132 51165 1 . SER 133 133 51165 1 . SER 134 134 51165 1 . SER 135 135 51165 1 . GLY 136 136 51165 1 . ASP 137 137 51165 1 . ALA 138 138 51165 1 . VAL 139 139 51165 1 . ARG 140 140 51165 1 . PHE 141 141 51165 1 . GLY 142 142 51165 1 . PRO 143 143 51165 1 . VAL 144 144 51165 1 . GLU 145 145 51165 1 . LEU 146 146 51165 1 . PHE 147 147 51165 1 . TYR 148 148 51165 1 . PRO 149 149 51165 1 . GLY 150 150 51165 1 . ALA 151 151 51165 1 . ALA 152 152 51165 1 . HIS 153 153 51165 1 . SER 154 154 51165 1 . THR 155 155 51165 1 . ASP 156 156 51165 1 . ASN 157 157 51165 1 . LEU 158 158 51165 1 . VAL 159 159 51165 1 . VAL 160 160 51165 1 . TYR 161 161 51165 1 . VAL 162 162 51165 1 . PRO 163 163 51165 1 . SER 164 164 51165 1 . ALA 165 165 51165 1 . SER 166 166 51165 1 . VAL 167 167 51165 1 . LEU 168 168 51165 1 . TYR 169 169 51165 1 . GLY 170 170 51165 1 . GLY 171 171 51165 1 . CYS 172 172 51165 1 . ALA 173 173 51165 1 . ILE 174 174 51165 1 . TYR 175 175 51165 1 . GLU 176 176 51165 1 . LEU 177 177 51165 1 . SER 178 178 51165 1 . ARG 179 179 51165 1 . THR 180 180 51165 1 . SER 181 181 51165 1 . ALA 182 182 51165 1 . GLY 183 183 51165 1 . ASN 184 184 51165 1 . VAL 185 185 51165 1 . ALA 186 186 51165 1 . ASP 187 187 51165 1 . ALA 188 188 51165 1 . ASP 189 189 51165 1 . LEU 190 190 51165 1 . ALA 191 191 51165 1 . GLU 192 192 51165 1 . TRP 193 193 51165 1 . PRO 194 194 51165 1 . THR 195 195 51165 1 . SER 196 196 51165 1 . ILE 197 197 51165 1 . GLU 198 198 51165 1 . ARG 199 199 51165 1 . ILE 200 200 51165 1 . GLN 201 201 51165 1 . GLN 202 202 51165 1 . HIS 203 203 51165 1 . TYR 204 204 51165 1 . PRO 205 205 51165 1 . GLU 206 206 51165 1 . ALA 207 207 51165 1 . GLN 208 208 51165 1 . PHE 209 209 51165 1 . VAL 210 210 51165 1 . ILE 211 211 51165 1 . PRO 212 212 51165 1 . GLY 213 213 51165 1 . HIS 214 214 51165 1 . GLY 215 215 51165 1 . LEU 216 216 51165 1 . PRO 217 217 51165 1 . GLY 218 218 51165 1 . GLY 219 219 51165 1 . LEU 220 220 51165 1 . ASP 221 221 51165 1 . LEU 222 222 51165 1 . LEU 223 223 51165 1 . LYS 224 224 51165 1 . HIS 225 225 51165 1 . THR 226 226 51165 1 . THR 227 227 51165 1 . ASN 228 228 51165 1 . VAL 229 229 51165 1 . VAL 230 230 51165 1 . LYS 231 231 51165 1 . ALA 232 232 51165 1 . HIS 233 233 51165 1 . THR 234 234 51165 1 . ASN 235 235 51165 1 . ARG 236 236 51165 1 . SER 237 237 51165 1 . VAL 238 238 51165 1 . VAL 239 239 51165 1 . GLU 240 240 51165 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 51165 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name entity_ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 51165 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 51165 2 ZN 'Three letter code' 51165 2 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 1 ZN $chem_comp_ZN 51165 2 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51165 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 287 organism . 'Pseudomonas aeruginosa' 'Pseudomonas aeruginosa' . . Bacteria . Pseudomonas aeruginosa . . . . . . . . . . . . . 51165 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51165 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pDEST14 . . . 51165 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 51165 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _Chem_comp.Mon_nstd_flag no _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 51165 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 51165 ZN [Zn++] SMILES CACTVS 3.341 51165 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 51165 ZN [Zn+2] SMILES ACDLabs 10.04 51165 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 51165 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 51165 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 51165 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 51165 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN ZN ZN ZN . ZN . . N 2 . . . 0 N N . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 51165 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51165 _Sample.ID 1 _Sample.Name VIM-2_free _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 VIM-2 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 500 . . uM . . . . 51165 1 2 Zn 'natural abundance' . . 2 $entity_ZN . . 100 . . uM . . . . 51165 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 51165 _Sample.ID 2 _Sample.Name VIM-2_EtOH _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 VIM-2 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 500 . . uM . . . . 51165 2 2 Zn 'natural abundance' . . 2 $entity_ZN . . 100 . . uM . . . . 51165 2 3 EtOH 'natural abundance' . . . . . . . . . uM . . . . 51165 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 51165 _Sample.ID 3 _Sample.Name VIM-2_EtOH_L-captopril _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 VIM2_EtOH_L-captopril '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 500 . . uM . . . . 51165 3 2 Zn 'natural abundance' . . 2 $entity_ZN . . 100 . . uM . . . . 51165 3 3 EtOH 'natural abundance' . . . . . . . . . uM . . . . 51165 3 4 L-captopril 'natural abundance' . . . . . . 750 . . uM . . . . 51165 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 51165 _Sample_condition_list.ID 1 _Sample_condition_list.Name VIM-2_700 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7 . pH 51165 1 pressure 1 . atm 51165 1 temperature 310 . K 51165 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 51165 _Sample_condition_list.ID 2 _Sample_condition_list.Name VIM-2_600 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7 . pH 51165 2 pressure 1 . atm 51165 2 temperature 298 . K 51165 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51165 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51165 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51165 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '700 MHz (green)' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 51165 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name Neo600 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51165 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51165 1 2 '3D HNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51165 1 3 '3D HN(CA)CO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51165 1 4 '3D HNCA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51165 1 5 '3D HNCACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51165 1 6 '3D HN(CO)CA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51165 1 7 '3D HN(CO)CACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51165 1 8 '2D 1H-15N HSQC' no yes no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51165 1 9 '3D HNCO' no yes no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51165 1 10 '3D HN(CA)CO' no yes no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51165 1 11 '3D HNCA' no yes no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51165 1 12 '3D HNCACB' no yes no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51165 1 13 '3D HN(CO)CACB' no yes no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51165 1 14 '2D 1H-15N HSQC' no no no . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51165 1 15 '3D HNCO' no yes no . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51165 1 16 '3D HN(CA)CO' no yes no . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51165 1 17 '3D HNCA' no yes no . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51165 1 18 '3D HNCACB' no yes no . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51165 1 19 '3D HN(CO)CACB' no yes no . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51165 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 51165 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name H2O _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . 51165 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51165 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Assignment_VIM-2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 51165 1 2 '3D HNCO' . . . 51165 1 3 '3D HN(CA)CO' . . . 51165 1 4 '3D HNCA' . . . 51165 1 5 '3D HNCACB' . . . 51165 1 6 '3D HN(CO)CA' . . . 51165 1 7 '3D HN(CO)CACB' . . . 51165 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51165 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 VAL C C 13 175.909 0.003 . 1 . . . . . 25 VAL C . 51165 1 2 . 1 . 1 1 1 VAL CA C 13 62.640 0.004 . 1 . . . . . 25 VAL CA . 51165 1 3 . 1 . 1 1 1 VAL CB C 13 32.629 0.016 . 1 . . . . . 25 VAL CB . 51165 1 4 . 1 . 1 2 2 ASP H H 1 8.498 0.001 . 1 . . . . . 26 ASP H . 51165 1 5 . 1 . 1 2 2 ASP C C 13 176.350 0.000 . 1 . . . . . 26 ASP C . 51165 1 6 . 1 . 1 2 2 ASP CA C 13 54.489 0.011 . 1 . . . . . 26 ASP CA . 51165 1 7 . 1 . 1 2 2 ASP CB C 13 41.248 0.008 . 1 . . . . . 26 ASP CB . 51165 1 8 . 1 . 1 2 2 ASP N N 15 123.107 0.010 . 1 . . . . . 26 ASP N . 51165 1 9 . 1 . 1 3 3 SER H H 1 8.210 0.001 . 1 . . . . . 27 SER H . 51165 1 10 . 1 . 1 3 3 SER C C 13 174.951 0.001 . 1 . . . . . 27 SER C . 51165 1 11 . 1 . 1 3 3 SER CA C 13 58.433 0.055 . 1 . . . . . 27 SER CA . 51165 1 12 . 1 . 1 3 3 SER CB C 13 63.888 0.015 . 1 . . . . . 27 SER CB . 51165 1 13 . 1 . 1 3 3 SER N N 15 116.002 0.014 . 1 . . . . . 27 SER N . 51165 1 14 . 1 . 1 4 4 SER H H 1 8.471 0.001 . 1 . . . . . 28 SER H . 51165 1 15 . 1 . 1 4 4 SER C C 13 175.057 0.069 . 1 . . . . . 28 SER C . 51165 1 16 . 1 . 1 4 4 SER CA C 13 59.104 0.021 . 1 . . . . . 28 SER CA . 51165 1 17 . 1 . 1 4 4 SER CB C 13 63.874 0.002 . 1 . . . . . 28 SER CB . 51165 1 18 . 1 . 1 4 4 SER N N 15 118.011 0.008 . 1 . . . . . 28 SER N . 51165 1 19 . 1 . 1 5 5 GLY H H 1 8.390 0.001 . 1 . . . . . 29 GLY H . 51165 1 20 . 1 . 1 5 5 GLY C C 13 174.250 0.011 . 1 . . . . . 29 GLY C . 51165 1 21 . 1 . 1 5 5 GLY CA C 13 45.407 0.012 . 1 . . . . . 29 GLY CA . 51165 1 22 . 1 . 1 5 5 GLY N N 15 110.325 0.010 . 1 . . . . . 29 GLY N . 51165 1 23 . 1 . 1 6 6 GLU H H 1 8.382 0.001 . 1 . . . . . 30 GLU H . 51165 1 24 . 1 . 1 6 6 GLU C C 13 175.752 0.008 . 1 . . . . . 30 GLU C . 51165 1 25 . 1 . 1 6 6 GLU CA C 13 55.989 0.024 . 1 . . . . . 30 GLU CA . 51165 1 26 . 1 . 1 6 6 GLU CB C 13 30.622 0.010 . 1 . . . . . 30 GLU CB . 51165 1 27 . 1 . 1 6 6 GLU N N 15 121.025 0.006 . 1 . . . . . 30 GLU N . 51165 1 28 . 1 . 1 7 7 TYR H H 1 8.510 0.001 . 1 . . . . . 31 TYR H . 51165 1 29 . 1 . 1 7 7 TYR C C 13 174.548 0.000 . 1 . . . . . 31 TYR C . 51165 1 30 . 1 . 1 7 7 TYR CA C 13 57.619 0.000 . 1 . . . . . 31 TYR CA . 51165 1 31 . 1 . 1 7 7 TYR CB C 13 39.313 0.000 . 1 . . . . . 31 TYR CB . 51165 1 32 . 1 . 1 7 7 TYR N N 15 127.361 0.021 . 1 . . . . . 31 TYR N . 51165 1 33 . 1 . 1 8 8 PRO C C 13 174.795 0.005 . 1 . . . . . 32 PRO C . 51165 1 34 . 1 . 1 8 8 PRO CA C 13 63.568 0.033 . 1 . . . . . 32 PRO CA . 51165 1 35 . 1 . 1 8 8 PRO CB C 13 32.252 0.013 . 1 . . . . . 32 PRO CB . 51165 1 36 . 1 . 1 9 9 THR H H 1 7.839 0.002 . 1 . . . . . 33 THR H . 51165 1 37 . 1 . 1 9 9 THR C C 13 176.309 0.004 . 1 . . . . . 33 THR C . 51165 1 38 . 1 . 1 9 9 THR CA C 13 59.916 0.024 . 1 . . . . . 33 THR CA . 51165 1 39 . 1 . 1 9 9 THR CB C 13 71.841 0.029 . 1 . . . . . 33 THR CB . 51165 1 40 . 1 . 1 9 9 THR N N 15 110.916 0.012 . 1 . . . . . 33 THR N . 51165 1 41 . 1 . 1 10 10 VAL H H 1 8.425 0.002 . 1 . . . . . 34 VAL H . 51165 1 42 . 1 . 1 10 10 VAL C C 13 179.066 0.000 . 1 . . . . . 34 VAL C . 51165 1 43 . 1 . 1 10 10 VAL CA C 13 65.242 0.000 . 1 . . . . . 34 VAL CA . 51165 1 44 . 1 . 1 10 10 VAL CB C 13 31.804 0.000 . 1 . . . . . 34 VAL CB . 51165 1 45 . 1 . 1 10 10 VAL N N 15 117.327 0.016 . 1 . . . . . 34 VAL N . 51165 1 46 . 1 . 1 11 11 SER H H 1 8.184 0.008 . 1 . . . . . 35 SER H . 51165 1 47 . 1 . 1 11 11 SER C C 13 175.114 0.000 . 1 . . . . . 35 SER C . 51165 1 48 . 1 . 1 11 11 SER CA C 13 60.813 0.010 . 1 . . . . . 35 SER CA . 51165 1 49 . 1 . 1 11 11 SER CB C 13 62.119 0.000 . 1 . . . . . 35 SER CB . 51165 1 50 . 1 . 1 11 11 SER N N 15 111.024 0.051 . 1 . . . . . 35 SER N . 51165 1 51 . 1 . 1 12 12 GLU H H 1 7.706 0.002 . 1 . . . . . 36 GLU H . 51165 1 52 . 1 . 1 12 12 GLU C C 13 175.612 0.010 . 1 . . . . . 36 GLU C . 51165 1 53 . 1 . 1 12 12 GLU CA C 13 56.300 0.013 . 1 . . . . . 36 GLU CA . 51165 1 54 . 1 . 1 12 12 GLU CB C 13 31.254 0.018 . 1 . . . . . 36 GLU CB . 51165 1 55 . 1 . 1 12 12 GLU N N 15 118.296 0.042 . 1 . . . . . 36 GLU N . 51165 1 56 . 1 . 1 13 13 ILE H H 1 7.057 0.002 . 1 . . . . . 37 ILE H . 51165 1 57 . 1 . 1 13 13 ILE C C 13 172.925 0.000 . 1 . . . . . 37 ILE C . 51165 1 58 . 1 . 1 13 13 ILE CA C 13 58.888 0.031 . 1 . . . . . 37 ILE CA . 51165 1 59 . 1 . 1 13 13 ILE CB C 13 39.168 0.000 . 1 . . . . . 37 ILE CB . 51165 1 60 . 1 . 1 13 13 ILE N N 15 120.071 0.029 . 1 . . . . . 37 ILE N . 51165 1 61 . 1 . 1 16 16 GLY C C 13 173.697 0.025 . 1 . . . . . 40 GLY C . 51165 1 62 . 1 . 1 16 16 GLY CA C 13 45.115 0.032 . 1 . . . . . 40 GLY CA . 51165 1 63 . 1 . 1 17 17 GLU H H 1 7.973 0.003 . 1 . . . . . 41 GLU H . 51165 1 64 . 1 . 1 17 17 GLU C C 13 174.757 0.007 . 1 . . . . . 41 GLU C . 51165 1 65 . 1 . 1 17 17 GLU CA C 13 55.263 0.068 . 1 . . . . . 41 GLU CA . 51165 1 66 . 1 . 1 17 17 GLU CB C 13 31.760 0.039 . 1 . . . . . 41 GLU CB . 51165 1 67 . 1 . 1 17 17 GLU N N 15 119.159 0.031 . 1 . . . . . 41 GLU N . 51165 1 68 . 1 . 1 18 18 VAL H H 1 8.227 0.002 . 1 . . . . . 42 VAL H . 51165 1 69 . 1 . 1 18 18 VAL C C 13 175.900 0.004 . 1 . . . . . 42 VAL C . 51165 1 70 . 1 . 1 18 18 VAL CA C 13 60.082 0.024 . 1 . . . . . 42 VAL CA . 51165 1 71 . 1 . 1 18 18 VAL CB C 13 36.060 0.029 . 1 . . . . . 42 VAL CB . 51165 1 72 . 1 . 1 18 18 VAL N N 15 115.791 0.013 . 1 . . . . . 42 VAL N . 51165 1 73 . 1 . 1 19 19 ARG H H 1 9.070 0.003 . 1 . . . . . 43 ARG H . 51165 1 74 . 1 . 1 19 19 ARG C C 13 174.251 0.019 . 1 . . . . . 43 ARG C . 51165 1 75 . 1 . 1 19 19 ARG CA C 13 52.551 0.043 . 1 . . . . . 43 ARG CA . 51165 1 76 . 1 . 1 19 19 ARG CB C 13 33.938 0.047 . 1 . . . . . 43 ARG CB . 51165 1 77 . 1 . 1 19 19 ARG N N 15 121.977 0.008 . 1 . . . . . 43 ARG N . 51165 1 78 . 1 . 1 20 20 LEU H H 1 8.842 0.003 . 1 . . . . . 44 LEU H . 51165 1 79 . 1 . 1 20 20 LEU C C 13 176.908 0.011 . 1 . . . . . 44 LEU C . 51165 1 80 . 1 . 1 20 20 LEU CA C 13 53.026 0.024 . 1 . . . . . 44 LEU CA . 51165 1 81 . 1 . 1 20 20 LEU CB C 13 44.068 0.015 . 1 . . . . . 44 LEU CB . 51165 1 82 . 1 . 1 20 20 LEU N N 15 119.065 0.019 . 1 . . . . . 44 LEU N . 51165 1 83 . 1 . 1 21 21 TYR H H 1 9.083 0.002 . 1 . . . . . 45 TYR H . 51165 1 84 . 1 . 1 21 21 TYR C C 13 174.265 0.016 . 1 . . . . . 45 TYR C . 51165 1 85 . 1 . 1 21 21 TYR CA C 13 57.427 0.013 . 1 . . . . . 45 TYR CA . 51165 1 86 . 1 . 1 21 21 TYR CB C 13 41.766 0.025 . 1 . . . . . 45 TYR CB . 51165 1 87 . 1 . 1 21 21 TYR N N 15 123.506 0.019 . 1 . . . . . 45 TYR N . 51165 1 88 . 1 . 1 22 22 GLN H H 1 8.669 0.001 . 1 . . . . . 46 GLN H . 51165 1 89 . 1 . 1 22 22 GLN C C 13 173.844 0.001 . 1 . . . . . 46 GLN C . 51165 1 90 . 1 . 1 22 22 GLN CA C 13 57.361 0.076 . 1 . . . . . 46 GLN CA . 51165 1 91 . 1 . 1 22 22 GLN CB C 13 28.644 0.008 . 1 . . . . . 46 GLN CB . 51165 1 92 . 1 . 1 22 22 GLN N N 15 129.394 0.035 . 1 . . . . . 46 GLN N . 51165 1 93 . 1 . 1 23 23 ILE H H 1 8.491 0.005 . 1 . . . . . 47 ILE H . 51165 1 94 . 1 . 1 23 23 ILE C C 13 174.711 0.006 . 1 . . . . . 47 ILE C . 51165 1 95 . 1 . 1 23 23 ILE CA C 13 61.639 0.048 . 1 . . . . . 47 ILE CA . 51165 1 96 . 1 . 1 23 23 ILE CB C 13 39.841 0.083 . 1 . . . . . 47 ILE CB . 51165 1 97 . 1 . 1 23 23 ILE N N 15 129.516 0.010 . 1 . . . . . 47 ILE N . 51165 1 98 . 1 . 1 24 24 ALA H H 1 7.971 0.003 . 1 . . . . . 48 ALA H . 51165 1 99 . 1 . 1 24 24 ALA C C 13 175.711 0.007 . 1 . . . . . 48 ALA C . 51165 1 100 . 1 . 1 24 24 ALA CA C 13 50.103 0.007 . 1 . . . . . 48 ALA CA . 51165 1 101 . 1 . 1 24 24 ALA CB C 13 21.773 0.018 . 1 . . . . . 48 ALA CB . 51165 1 102 . 1 . 1 24 24 ALA N N 15 119.400 0.021 . 1 . . . . . 48 ALA N . 51165 1 103 . 1 . 1 25 25 ASP H H 1 8.422 0.002 . 1 . . . . . 49 ASP H . 51165 1 104 . 1 . 1 25 25 ASP C C 13 177.169 0.005 . 1 . . . . . 49 ASP C . 51165 1 105 . 1 . 1 25 25 ASP CA C 13 56.514 0.012 . 1 . . . . . 49 ASP CA . 51165 1 106 . 1 . 1 25 25 ASP CB C 13 40.449 0.028 . 1 . . . . . 49 ASP CB . 51165 1 107 . 1 . 1 25 25 ASP N N 15 119.902 0.014 . 1 . . . . . 49 ASP N . 51165 1 108 . 1 . 1 26 26 GLY H H 1 8.161 0.001 . 1 . . . . . 50 GLY H . 51165 1 109 . 1 . 1 26 26 GLY C C 13 173.069 0.004 . 1 . . . . . 50 GLY C . 51165 1 110 . 1 . 1 26 26 GLY CA C 13 46.611 0.011 . 1 . . . . . 50 GLY CA . 51165 1 111 . 1 . 1 26 26 GLY N N 15 112.879 0.022 . 1 . . . . . 50 GLY N . 51165 1 112 . 1 . 1 27 27 VAL H H 1 7.290 0.001 . 1 . . . . . 51 VAL H . 51165 1 113 . 1 . 1 27 27 VAL C C 13 173.488 0.005 . 1 . . . . . 51 VAL C . 51165 1 114 . 1 . 1 27 27 VAL CA C 13 61.668 0.034 . 1 . . . . . 51 VAL CA . 51165 1 115 . 1 . 1 27 27 VAL CB C 13 35.141 0.018 . 1 . . . . . 51 VAL CB . 51165 1 116 . 1 . 1 27 27 VAL N N 15 117.534 0.018 . 1 . . . . . 51 VAL N . 51165 1 117 . 1 . 1 28 28 TRP H H 1 9.756 0.002 . 1 . . . . . 52 TRP H . 51165 1 118 . 1 . 1 28 28 TRP C C 13 176.207 0.004 . 1 . . . . . 52 TRP C . 51165 1 119 . 1 . 1 28 28 TRP CA C 13 57.223 0.023 . 1 . . . . . 52 TRP CA . 51165 1 120 . 1 . 1 28 28 TRP CB C 13 34.301 0.035 . 1 . . . . . 52 TRP CB . 51165 1 121 . 1 . 1 28 28 TRP N N 15 128.466 0.010 . 1 . . . . . 52 TRP N . 51165 1 122 . 1 . 1 29 29 SER H H 1 9.950 0.002 . 1 . . . . . 53 SER H . 51165 1 123 . 1 . 1 29 29 SER C C 13 174.293 0.027 . 1 . . . . . 53 SER C . 51165 1 124 . 1 . 1 29 29 SER CA C 13 56.991 0.071 . 1 . . . . . 53 SER CA . 51165 1 125 . 1 . 1 29 29 SER CB C 13 66.160 0.037 . 1 . . . . . 53 SER CB . 51165 1 126 . 1 . 1 29 29 SER N N 15 115.582 0.015 . 1 . . . . . 53 SER N . 51165 1 127 . 1 . 1 30 30 HIS H H 1 7.801 0.003 . 1 . . . . . 54 HIS H . 51165 1 128 . 1 . 1 30 30 HIS C C 13 173.470 0.003 . 1 . . . . . 54 HIS C . 51165 1 129 . 1 . 1 30 30 HIS CA C 13 53.618 0.035 . 1 . . . . . 54 HIS CA . 51165 1 130 . 1 . 1 30 30 HIS CB C 13 35.924 0.017 . 1 . . . . . 54 HIS CB . 51165 1 131 . 1 . 1 30 30 HIS N N 15 118.893 0.024 . 1 . . . . . 54 HIS N . 51165 1 132 . 1 . 1 31 31 ILE H H 1 9.091 0.003 . 1 . . . . . 55 ILE H . 51165 1 133 . 1 . 1 31 31 ILE C C 13 173.825 0.005 . 1 . . . . . 55 ILE C . 51165 1 134 . 1 . 1 31 31 ILE CA C 13 61.484 0.029 . 1 . . . . . 55 ILE CA . 51165 1 135 . 1 . 1 31 31 ILE CB C 13 42.151 0.053 . 1 . . . . . 55 ILE CB . 51165 1 136 . 1 . 1 31 31 ILE N N 15 121.141 0.017 . 1 . . . . . 55 ILE N . 51165 1 137 . 1 . 1 32 32 ALA H H 1 8.687 0.002 . 1 . . . . . 56 ALA H . 51165 1 138 . 1 . 1 32 32 ALA C C 13 176.396 0.000 . 1 . . . . . 56 ALA C . 51165 1 139 . 1 . 1 32 32 ALA CA C 13 50.165 0.002 . 1 . . . . . 56 ALA CA . 51165 1 140 . 1 . 1 32 32 ALA CB C 13 24.972 0.000 . 1 . . . . . 56 ALA CB . 51165 1 141 . 1 . 1 32 32 ALA N N 15 128.214 0.019 . 1 . . . . . 56 ALA N . 51165 1 142 . 1 . 1 37 37 ASP C C 13 175.801 0.004 . 1 . . . . . 61 ASP C . 51165 1 143 . 1 . 1 37 37 ASP CA C 13 55.246 0.049 . 1 . . . . . 61 ASP CA . 51165 1 144 . 1 . 1 37 37 ASP CB C 13 40.070 0.027 . 1 . . . . . 61 ASP CB . 51165 1 145 . 1 . 1 38 38 GLY H H 1 8.391 0.001 . 1 . . . . . 62 GLY H . 51165 1 146 . 1 . 1 38 38 GLY C C 13 173.437 0.005 . 1 . . . . . 62 GLY C . 51165 1 147 . 1 . 1 38 38 GLY CA C 13 45.630 0.016 . 1 . . . . . 62 GLY CA . 51165 1 148 . 1 . 1 38 38 GLY N N 15 104.252 0.014 . 1 . . . . . 62 GLY N . 51165 1 149 . 1 . 1 39 39 ALA H H 1 7.831 0.001 . 1 . . . . . 63 ALA H . 51165 1 150 . 1 . 1 39 39 ALA C C 13 175.304 0.005 . 1 . . . . . 63 ALA C . 51165 1 151 . 1 . 1 39 39 ALA CA C 13 50.768 0.021 . 1 . . . . . 63 ALA CA . 51165 1 152 . 1 . 1 39 39 ALA CB C 13 21.316 0.009 . 1 . . . . . 63 ALA CB . 51165 1 153 . 1 . 1 39 39 ALA N N 15 124.401 0.007 . 1 . . . . . 63 ALA N . 51165 1 154 . 1 . 1 40 40 VAL H H 1 7.902 0.001 . 1 . . . . . 64 VAL H . 51165 1 155 . 1 . 1 40 40 VAL C C 13 174.909 0.001 . 1 . . . . . 64 VAL C . 51165 1 156 . 1 . 1 40 40 VAL CA C 13 61.720 0.028 . 1 . . . . . 64 VAL CA . 51165 1 157 . 1 . 1 40 40 VAL CB C 13 33.122 0.047 . 1 . . . . . 64 VAL CB . 51165 1 158 . 1 . 1 40 40 VAL N N 15 120.026 0.009 . 1 . . . . . 64 VAL N . 51165 1 159 . 1 . 1 41 41 TYR H H 1 8.942 0.003 . 1 . . . . . 65 TYR H . 51165 1 160 . 1 . 1 41 41 TYR CA C 13 54.815 0.031 . 1 . . . . . 65 TYR CA . 51165 1 161 . 1 . 1 41 41 TYR CB C 13 41.782 0.000 . 1 . . . . . 65 TYR CB . 51165 1 162 . 1 . 1 41 41 TYR N N 15 126.053 0.016 . 1 . . . . . 65 TYR N . 51165 1 163 . 1 . 1 42 42 PRO C C 13 177.548 0.000 . 1 . . . . . 66 PRO C . 51165 1 164 . 1 . 1 42 42 PRO CA C 13 61.635 0.045 . 1 . . . . . 66 PRO CA . 51165 1 165 . 1 . 1 42 42 PRO CB C 13 32.510 0.000 . 1 . . . . . 66 PRO CB . 51165 1 166 . 1 . 1 43 43 SER H H 1 9.108 0.003 . 1 . . . . . 67 SER H . 51165 1 167 . 1 . 1 43 43 SER C C 13 172.856 0.000 . 1 . . . . . 67 SER C . 51165 1 168 . 1 . 1 43 43 SER CA C 13 59.074 0.084 . 1 . . . . . 67 SER CA . 51165 1 169 . 1 . 1 43 43 SER CB C 13 65.080 0.000 . 1 . . . . . 67 SER CB . 51165 1 170 . 1 . 1 43 43 SER N N 15 116.016 0.026 . 1 . . . . . 67 SER N . 51165 1 171 . 1 . 1 44 44 ASN H H 1 8.596 0.006 . 1 . . . . . 68 ASN H . 51165 1 172 . 1 . 1 44 44 ASN C C 13 174.786 0.011 . 1 . . . . . 68 ASN C . 51165 1 173 . 1 . 1 44 44 ASN CA C 13 52.085 0.011 . 1 . . . . . 68 ASN CA . 51165 1 174 . 1 . 1 44 44 ASN CB C 13 43.085 0.042 . 1 . . . . . 68 ASN CB . 51165 1 175 . 1 . 1 44 44 ASN N N 15 123.589 0.039 . 1 . . . . . 68 ASN N . 51165 1 176 . 1 . 1 45 45 GLY H H 1 7.989 0.003 . 1 . . . . . 69 GLY H . 51165 1 177 . 1 . 1 45 45 GLY C C 13 172.897 0.013 . 1 . . . . . 69 GLY C . 51165 1 178 . 1 . 1 45 45 GLY CA C 13 43.637 0.039 . 1 . . . . . 69 GLY CA . 51165 1 179 . 1 . 1 45 45 GLY N N 15 106.444 0.016 . 1 . . . . . 69 GLY N . 51165 1 180 . 1 . 1 46 46 LEU H H 1 8.875 0.009 . 1 . . . . . 70 LEU H . 51165 1 181 . 1 . 1 46 46 LEU C C 13 175.306 0.023 . 1 . . . . . 70 LEU C . 51165 1 182 . 1 . 1 46 46 LEU CA C 13 52.910 0.011 . 1 . . . . . 70 LEU CA . 51165 1 183 . 1 . 1 46 46 LEU CB C 13 49.500 0.011 . 1 . . . . . 70 LEU CB . 51165 1 184 . 1 . 1 46 46 LEU N N 15 120.516 0.011 . 1 . . . . . 70 LEU N . 51165 1 185 . 1 . 1 47 47 ILE H H 1 9.564 0.003 . 1 . . . . . 71 ILE H . 51165 1 186 . 1 . 1 47 47 ILE C C 13 174.999 0.001 . 1 . . . . . 71 ILE C . 51165 1 187 . 1 . 1 47 47 ILE CA C 13 61.121 0.013 . 1 . . . . . 71 ILE CA . 51165 1 188 . 1 . 1 47 47 ILE CB C 13 41.466 0.014 . 1 . . . . . 71 ILE CB . 51165 1 189 . 1 . 1 47 47 ILE N N 15 123.100 0.012 . 1 . . . . . 71 ILE N . 51165 1 190 . 1 . 1 48 48 VAL H H 1 9.478 0.001 . 1 . . . . . 72 VAL H . 51165 1 191 . 1 . 1 48 48 VAL C C 13 175.029 0.002 . 1 . . . . . 72 VAL C . 51165 1 192 . 1 . 1 48 48 VAL CA C 13 60.418 0.024 . 1 . . . . . 72 VAL CA . 51165 1 193 . 1 . 1 48 48 VAL CB C 13 35.991 0.023 . 1 . . . . . 72 VAL CB . 51165 1 194 . 1 . 1 48 48 VAL N N 15 125.893 0.008 . 1 . . . . . 72 VAL N . 51165 1 195 . 1 . 1 49 49 ARG H H 1 9.330 0.002 . 1 . . . . . 73 ARG H . 51165 1 196 . 1 . 1 49 49 ARG C C 13 174.045 0.009 . 1 . . . . . 73 ARG C . 51165 1 197 . 1 . 1 49 49 ARG CA C 13 57.917 0.010 . 1 . . . . . 73 ARG CA . 51165 1 198 . 1 . 1 49 49 ARG CB C 13 31.724 0.009 . 1 . . . . . 73 ARG CB . 51165 1 199 . 1 . 1 49 49 ARG N N 15 128.043 0.009 . 1 . . . . . 73 ARG N . 51165 1 200 . 1 . 1 50 50 ASP H H 1 9.143 0.002 . 1 . . . . . 74 ASP H . 51165 1 201 . 1 . 1 50 50 ASP C C 13 175.550 0.014 . 1 . . . . . 74 ASP C . 51165 1 202 . 1 . 1 50 50 ASP CA C 13 51.871 0.059 . 1 . . . . . 74 ASP CA . 51165 1 203 . 1 . 1 50 50 ASP CB C 13 42.010 0.025 . 1 . . . . . 74 ASP CB . 51165 1 204 . 1 . 1 50 50 ASP N N 15 129.220 0.013 . 1 . . . . . 74 ASP N . 51165 1 205 . 1 . 1 51 51 GLY H H 1 8.673 0.002 . 1 . . . . . 75 GLY H . 51165 1 206 . 1 . 1 51 51 GLY C C 13 174.004 0.010 . 1 . . . . . 75 GLY C . 51165 1 207 . 1 . 1 51 51 GLY CA C 13 47.659 0.017 . 1 . . . . . 75 GLY CA . 51165 1 208 . 1 . 1 51 51 GLY N N 15 113.246 0.006 . 1 . . . . . 75 GLY N . 51165 1 209 . 1 . 1 52 52 ASP H H 1 8.896 0.001 . 1 . . . . . 76 ASP H . 51165 1 210 . 1 . 1 52 52 ASP C C 13 173.529 0.016 . 1 . . . . . 76 ASP C . 51165 1 211 . 1 . 1 52 52 ASP CA C 13 54.048 0.057 . 1 . . . . . 76 ASP CA . 51165 1 212 . 1 . 1 52 52 ASP CB C 13 40.905 0.005 . 1 . . . . . 76 ASP CB . 51165 1 213 . 1 . 1 52 52 ASP N N 15 129.557 0.015 . 1 . . . . . 76 ASP N . 51165 1 214 . 1 . 1 53 53 GLU H H 1 7.685 0.002 . 1 . . . . . 77 GLU H . 51165 1 215 . 1 . 1 53 53 GLU C C 13 173.913 0.005 . 1 . . . . . 77 GLU C . 51165 1 216 . 1 . 1 53 53 GLU CA C 13 54.289 0.024 . 1 . . . . . 77 GLU CA . 51165 1 217 . 1 . 1 53 53 GLU CB C 13 33.816 0.027 . 1 . . . . . 77 GLU CB . 51165 1 218 . 1 . 1 53 53 GLU N N 15 116.599 0.051 . 1 . . . . . 77 GLU N . 51165 1 219 . 1 . 1 54 54 LEU H H 1 8.773 0.001 . 1 . . . . . 78 LEU H . 51165 1 220 . 1 . 1 54 54 LEU C C 13 175.097 0.005 . 1 . . . . . 78 LEU C . 51165 1 221 . 1 . 1 54 54 LEU CA C 13 53.609 0.021 . 1 . . . . . 78 LEU CA . 51165 1 222 . 1 . 1 54 54 LEU CB C 13 45.224 0.025 . 1 . . . . . 78 LEU CB . 51165 1 223 . 1 . 1 54 54 LEU N N 15 116.508 0.011 . 1 . . . . . 78 LEU N . 51165 1 224 . 1 . 1 55 55 LEU H H 1 8.936 0.003 . 1 . . . . . 79 LEU H . 51165 1 225 . 1 . 1 55 55 LEU C C 13 174.365 0.006 . 1 . . . . . 79 LEU C . 51165 1 226 . 1 . 1 55 55 LEU CA C 13 53.478 0.046 . 1 . . . . . 79 LEU CA . 51165 1 227 . 1 . 1 55 55 LEU CB C 13 44.222 0.014 . 1 . . . . . 79 LEU CB . 51165 1 228 . 1 . 1 55 55 LEU N N 15 123.486 0.010 . 1 . . . . . 79 LEU N . 51165 1 229 . 1 . 1 56 56 LEU H H 1 8.899 0.002 . 1 . . . . . 80 LEU H . 51165 1 230 . 1 . 1 56 56 LEU C C 13 174.291 0.030 . 1 . . . . . 80 LEU C . 51165 1 231 . 1 . 1 56 56 LEU CA C 13 53.580 0.035 . 1 . . . . . 80 LEU CA . 51165 1 232 . 1 . 1 56 56 LEU CB C 13 46.198 0.006 . 1 . . . . . 80 LEU CB . 51165 1 233 . 1 . 1 56 56 LEU N N 15 128.424 0.011 . 1 . . . . . 80 LEU N . 51165 1 234 . 1 . 1 57 57 ILE H H 1 9.660 0.004 . 1 . . . . . 81 ILE H . 51165 1 235 . 1 . 1 57 57 ILE C C 13 175.242 0.007 . 1 . . . . . 81 ILE C . 51165 1 236 . 1 . 1 57 57 ILE CA C 13 59.326 0.012 . 1 . . . . . 81 ILE CA . 51165 1 237 . 1 . 1 57 57 ILE CB C 13 35.352 0.029 . 1 . . . . . 81 ILE CB . 51165 1 238 . 1 . 1 57 57 ILE N N 15 126.903 0.021 . 1 . . . . . 81 ILE N . 51165 1 239 . 1 . 1 58 58 ASP H H 1 9.044 0.002 . 1 . . . . . 82 ASP H . 51165 1 240 . 1 . 1 58 58 ASP C C 13 174.731 0.013 . 1 . . . . . 82 ASP C . 51165 1 241 . 1 . 1 58 58 ASP CA C 13 58.025 0.019 . 1 . . . . . 82 ASP CA . 51165 1 242 . 1 . 1 58 58 ASP CB C 13 40.445 0.084 . 1 . . . . . 82 ASP CB . 51165 1 243 . 1 . 1 58 58 ASP N N 15 118.768 0.010 . 1 . . . . . 82 ASP N . 51165 1 244 . 1 . 1 59 59 THR H H 1 6.829 0.002 . 1 . . . . . 83 THR H . 51165 1 245 . 1 . 1 59 59 THR C C 13 172.414 0.000 . 1 . . . . . 83 THR C . 51165 1 246 . 1 . 1 59 59 THR CA C 13 60.512 0.020 . 1 . . . . . 83 THR CA . 51165 1 247 . 1 . 1 59 59 THR CB C 13 68.431 0.000 . 1 . . . . . 83 THR CB . 51165 1 248 . 1 . 1 59 59 THR N N 15 104.346 0.034 . 1 . . . . . 83 THR N . 51165 1 249 . 1 . 1 70 70 LEU C C 13 179.995 0.000 . 1 . . . . . 94 LEU C . 51165 1 250 . 1 . 1 70 70 LEU CA C 13 58.379 0.010 . 1 . . . . . 94 LEU CA . 51165 1 251 . 1 . 1 70 70 LEU CB C 13 40.896 0.028 . 1 . . . . . 94 LEU CB . 51165 1 252 . 1 . 1 71 71 ALA H H 1 7.551 0.002 . 1 . . . . . 95 ALA H . 51165 1 253 . 1 . 1 71 71 ALA C C 13 180.104 0.009 . 1 . . . . . 95 ALA C . 51165 1 254 . 1 . 1 71 71 ALA CA C 13 55.059 0.020 . 1 . . . . . 95 ALA CA . 51165 1 255 . 1 . 1 71 71 ALA CB C 13 17.920 0.050 . 1 . . . . . 95 ALA CB . 51165 1 256 . 1 . 1 71 71 ALA N N 15 121.972 0.008 . 1 . . . . . 95 ALA N . 51165 1 257 . 1 . 1 72 72 GLU H H 1 8.479 0.001 . 1 . . . . . 96 GLU H . 51165 1 258 . 1 . 1 72 72 GLU C C 13 179.290 0.008 . 1 . . . . . 96 GLU C . 51165 1 259 . 1 . 1 72 72 GLU CA C 13 58.750 0.029 . 1 . . . . . 96 GLU CA . 51165 1 260 . 1 . 1 72 72 GLU CB C 13 29.442 0.001 . 1 . . . . . 96 GLU CB . 51165 1 261 . 1 . 1 72 72 GLU N N 15 121.842 0.020 . 1 . . . . . 96 GLU N . 51165 1 262 . 1 . 1 73 73 ILE H H 1 8.582 0.002 . 1 . . . . . 97 ILE H . 51165 1 263 . 1 . 1 73 73 ILE C C 13 178.450 0.013 . 1 . . . . . 97 ILE C . 51165 1 264 . 1 . 1 73 73 ILE CA C 13 66.268 0.017 . 1 . . . . . 97 ILE CA . 51165 1 265 . 1 . 1 73 73 ILE CB C 13 38.286 0.023 . 1 . . . . . 97 ILE CB . 51165 1 266 . 1 . 1 73 73 ILE N N 15 119.766 0.029 . 1 . . . . . 97 ILE N . 51165 1 267 . 1 . 1 74 74 GLU H H 1 7.724 0.001 . 1 . . . . . 98 GLU H . 51165 1 268 . 1 . 1 74 74 GLU C C 13 177.189 0.005 . 1 . . . . . 98 GLU C . 51165 1 269 . 1 . 1 74 74 GLU CA C 13 59.963 0.037 . 1 . . . . . 98 GLU CA . 51165 1 270 . 1 . 1 74 74 GLU CB C 13 29.161 0.029 . 1 . . . . . 98 GLU CB . 51165 1 271 . 1 . 1 74 74 GLU N N 15 122.555 0.016 . 1 . . . . . 98 GLU N . 51165 1 272 . 1 . 1 75 75 LYS H H 1 7.510 0.001 . 1 . . . . . 99 LYS H . 51165 1 273 . 1 . 1 75 75 LYS C C 13 178.288 0.011 . 1 . . . . . 99 LYS C . 51165 1 274 . 1 . 1 75 75 LYS CA C 13 58.977 0.026 . 1 . . . . . 99 LYS CA . 51165 1 275 . 1 . 1 75 75 LYS CB C 13 33.686 0.053 . 1 . . . . . 99 LYS CB . 51165 1 276 . 1 . 1 75 75 LYS N N 15 116.026 0.008 . 1 . . . . . 99 LYS N . 51165 1 277 . 1 . 1 76 76 GLN H H 1 8.431 0.002 . 1 . . . . . 100 GLN H . 51165 1 278 . 1 . 1 76 76 GLN C C 13 176.865 0.000 . 1 . . . . . 100 GLN C . 51165 1 279 . 1 . 1 76 76 GLN CA C 13 57.745 0.017 . 1 . . . . . 100 GLN CA . 51165 1 280 . 1 . 1 76 76 GLN CB C 13 30.242 0.032 . 1 . . . . . 100 GLN CB . 51165 1 281 . 1 . 1 76 76 GLN N N 15 113.444 0.016 . 1 . . . . . 100 GLN N . 51165 1 282 . 1 . 1 77 77 ILE H H 1 8.158 0.002 . 1 . . . . . 101 ILE H . 51165 1 283 . 1 . 1 77 77 ILE C C 13 177.570 0.013 . 1 . . . . . 101 ILE C . 51165 1 284 . 1 . 1 77 77 ILE CA C 13 63.091 0.025 . 1 . . . . . 101 ILE CA . 51165 1 285 . 1 . 1 77 77 ILE CB C 13 39.701 0.041 . 1 . . . . . 101 ILE CB . 51165 1 286 . 1 . 1 77 77 ILE N N 15 117.483 0.010 . 1 . . . . . 101 ILE N . 51165 1 287 . 1 . 1 78 78 GLY H H 1 8.286 0.002 . 1 . . . . . 102 GLY H . 51165 1 288 . 1 . 1 78 78 GLY C C 13 173.568 0.002 . 1 . . . . . 102 GLY C . 51165 1 289 . 1 . 1 78 78 GLY CA C 13 46.785 0.013 . 1 . . . . . 102 GLY CA . 51165 1 290 . 1 . 1 78 78 GLY N N 15 104.781 0.018 . 1 . . . . . 102 GLY N . 51165 1 291 . 1 . 1 79 79 LEU H H 1 6.203 0.002 . 1 . . . . . 103 LEU H . 51165 1 292 . 1 . 1 79 79 LEU C C 13 173.671 0.000 . 1 . . . . . 103 LEU C . 51165 1 293 . 1 . 1 79 79 LEU CA C 13 51.110 0.012 . 1 . . . . . 103 LEU CA . 51165 1 294 . 1 . 1 79 79 LEU CB C 13 43.847 0.000 . 1 . . . . . 103 LEU CB . 51165 1 295 . 1 . 1 79 79 LEU N N 15 117.136 0.006 . 1 . . . . . 103 LEU N . 51165 1 296 . 1 . 1 80 80 PRO C C 13 176.313 0.010 . 1 . . . . . 104 PRO C . 51165 1 297 . 1 . 1 80 80 PRO CA C 13 62.297 0.005 . 1 . . . . . 104 PRO CA . 51165 1 298 . 1 . 1 80 80 PRO CB C 13 31.931 0.000 . 1 . . . . . 104 PRO CB . 51165 1 299 . 1 . 1 81 81 VAL H H 1 8.747 0.001 . 1 . . . . . 105 VAL H . 51165 1 300 . 1 . 1 81 81 VAL C C 13 176.608 0.007 . 1 . . . . . 105 VAL C . 51165 1 301 . 1 . 1 81 81 VAL CA C 13 61.511 0.015 . 1 . . . . . 105 VAL CA . 51165 1 302 . 1 . 1 81 81 VAL CB C 13 31.298 0.014 . 1 . . . . . 105 VAL CB . 51165 1 303 . 1 . 1 81 81 VAL N N 15 122.246 0.005 . 1 . . . . . 105 VAL N . 51165 1 304 . 1 . 1 82 82 THR H H 1 8.397 0.002 . 1 . . . . . 106 THR H . 51165 1 305 . 1 . 1 82 82 THR C C 13 176.689 0.027 . 1 . . . . . 106 THR C . 51165 1 306 . 1 . 1 82 82 THR CA C 13 61.713 0.059 . 1 . . . . . 106 THR CA . 51165 1 307 . 1 . 1 82 82 THR CB C 13 69.753 0.004 . 1 . . . . . 106 THR CB . 51165 1 308 . 1 . 1 82 82 THR N N 15 114.106 0.008 . 1 . . . . . 106 THR N . 51165 1 309 . 1 . 1 83 83 ARG H H 1 7.627 0.001 . 1 . . . . . 107 ARG H . 51165 1 310 . 1 . 1 83 83 ARG C C 13 173.813 0.002 . 1 . . . . . 107 ARG C . 51165 1 311 . 1 . 1 83 83 ARG CA C 13 55.132 0.031 . 1 . . . . . 107 ARG CA . 51165 1 312 . 1 . 1 83 83 ARG CB C 13 36.793 0.027 . 1 . . . . . 107 ARG CB . 51165 1 313 . 1 . 1 83 83 ARG N N 15 121.381 0.015 . 1 . . . . . 107 ARG N . 51165 1 314 . 1 . 1 84 84 ALA H H 1 9.022 0.002 . 1 . . . . . 108 ALA H . 51165 1 315 . 1 . 1 84 84 ALA C C 13 175.427 0.007 . 1 . . . . . 108 ALA C . 51165 1 316 . 1 . 1 84 84 ALA CA C 13 49.930 0.010 . 1 . . . . . 108 ALA CA . 51165 1 317 . 1 . 1 84 84 ALA CB C 13 24.478 0.018 . 1 . . . . . 108 ALA CB . 51165 1 318 . 1 . 1 84 84 ALA N N 15 121.869 0.011 . 1 . . . . . 108 ALA N . 51165 1 319 . 1 . 1 85 85 VAL H H 1 8.828 0.002 . 1 . . . . . 109 VAL H . 51165 1 320 . 1 . 1 85 85 VAL C C 13 175.255 0.006 . 1 . . . . . 109 VAL C . 51165 1 321 . 1 . 1 85 85 VAL CA C 13 60.091 0.029 . 1 . . . . . 109 VAL CA . 51165 1 322 . 1 . 1 85 85 VAL CB C 13 36.188 0.006 . 1 . . . . . 109 VAL CB . 51165 1 323 . 1 . 1 85 85 VAL N N 15 120.885 0.030 . 1 . . . . . 109 VAL N . 51165 1 324 . 1 . 1 86 86 SER H H 1 7.732 0.002 . 1 . . . . . 110 SER H . 51165 1 325 . 1 . 1 86 86 SER C C 13 175.693 0.000 . 1 . . . . . 110 SER C . 51165 1 326 . 1 . 1 86 86 SER CA C 13 58.428 0.040 . 1 . . . . . 110 SER CA . 51165 1 327 . 1 . 1 86 86 SER CB C 13 65.810 0.000 . 1 . . . . . 110 SER CB . 51165 1 328 . 1 . 1 86 86 SER N N 15 121.976 0.008 . 1 . . . . . 110 SER N . 51165 1 329 . 1 . 1 97 97 VAL C C 13 177.615 0.007 . 1 . . . . . 121 VAL C . 51165 1 330 . 1 . 1 97 97 VAL CA C 13 58.153 0.000 . 1 . . . . . 121 VAL CA . 51165 1 331 . 1 . 1 97 97 VAL CB C 13 40.919 0.005 . 1 . . . . . 121 VAL CB . 51165 1 332 . 1 . 1 98 98 ASP H H 1 7.771 0.001 . 1 . . . . . 122 ASP H . 51165 1 333 . 1 . 1 98 98 ASP C C 13 179.948 0.026 . 1 . . . . . 122 ASP C . 51165 1 334 . 1 . 1 98 98 ASP CA C 13 58.313 0.046 . 1 . . . . . 122 ASP CA . 51165 1 335 . 1 . 1 98 98 ASP CB C 13 39.277 0.000 . 1 . . . . . 122 ASP CB . 51165 1 336 . 1 . 1 98 98 ASP N N 15 117.493 0.012 . 1 . . . . . 122 ASP N . 51165 1 337 . 1 . 1 99 99 VAL H H 1 7.693 0.002 . 1 . . . . . 123 VAL H . 51165 1 338 . 1 . 1 99 99 VAL C C 13 178.949 0.008 . 1 . . . . . 123 VAL C . 51165 1 339 . 1 . 1 99 99 VAL CA C 13 66.212 0.032 . 1 . . . . . 123 VAL CA . 51165 1 340 . 1 . 1 99 99 VAL CB C 13 31.601 0.040 . 1 . . . . . 123 VAL CB . 51165 1 341 . 1 . 1 99 99 VAL N N 15 123.374 0.021 . 1 . . . . . 123 VAL N . 51165 1 342 . 1 . 1 100 100 LEU H H 1 7.696 0.003 . 1 . . . . . 124 LEU H . 51165 1 343 . 1 . 1 100 100 LEU C C 13 178.658 0.005 . 1 . . . . . 124 LEU C . 51165 1 344 . 1 . 1 100 100 LEU CA C 13 57.760 0.026 . 1 . . . . . 124 LEU CA . 51165 1 345 . 1 . 1 100 100 LEU CB C 13 40.318 0.022 . 1 . . . . . 124 LEU CB . 51165 1 346 . 1 . 1 100 100 LEU N N 15 118.874 0.040 . 1 . . . . . 124 LEU N . 51165 1 347 . 1 . 1 101 101 ARG H H 1 8.837 0.002 . 1 . . . . . 125 ARG H . 51165 1 348 . 1 . 1 101 101 ARG C C 13 180.928 0.008 . 1 . . . . . 125 ARG C . 51165 1 349 . 1 . 1 101 101 ARG CA C 13 59.789 0.014 . 1 . . . . . 125 ARG CA . 51165 1 350 . 1 . 1 101 101 ARG CB C 13 30.213 0.055 . 1 . . . . . 125 ARG CB . 51165 1 351 . 1 . 1 101 101 ARG N N 15 121.268 0.019 . 1 . . . . . 125 ARG N . 51165 1 352 . 1 . 1 102 102 ALA H H 1 8.028 0.002 . 1 . . . . . 126 ALA H . 51165 1 353 . 1 . 1 102 102 ALA C C 13 178.281 0.007 . 1 . . . . . 126 ALA C . 51165 1 354 . 1 . 1 102 102 ALA CA C 13 54.610 0.011 . 1 . . . . . 126 ALA CA . 51165 1 355 . 1 . 1 102 102 ALA CB C 13 17.896 0.034 . 1 . . . . . 126 ALA CB . 51165 1 356 . 1 . 1 102 102 ALA N N 15 122.926 0.020 . 1 . . . . . 126 ALA N . 51165 1 357 . 1 . 1 103 103 ALA H H 1 7.493 0.001 . 1 . . . . . 127 ALA H . 51165 1 358 . 1 . 1 103 103 ALA C C 13 177.366 0.005 . 1 . . . . . 127 ALA C . 51165 1 359 . 1 . 1 103 103 ALA CA C 13 51.842 0.035 . 1 . . . . . 127 ALA CA . 51165 1 360 . 1 . 1 103 103 ALA CB C 13 18.880 0.007 . 1 . . . . . 127 ALA CB . 51165 1 361 . 1 . 1 103 103 ALA N N 15 119.658 0.023 . 1 . . . . . 127 ALA N . 51165 1 362 . 1 . 1 104 104 GLY H H 1 7.897 0.001 . 1 . . . . . 128 GLY H . 51165 1 363 . 1 . 1 104 104 GLY C C 13 174.250 0.015 . 1 . . . . . 128 GLY C . 51165 1 364 . 1 . 1 104 104 GLY CA C 13 45.468 0.017 . 1 . . . . . 128 GLY CA . 51165 1 365 . 1 . 1 104 104 GLY N N 15 106.491 0.013 . 1 . . . . . 128 GLY N . 51165 1 366 . 1 . 1 105 105 VAL H H 1 8.011 0.002 . 1 . . . . . 129 VAL H . 51165 1 367 . 1 . 1 105 105 VAL C C 13 175.537 0.007 . 1 . . . . . 129 VAL C . 51165 1 368 . 1 . 1 105 105 VAL CA C 13 62.511 0.005 . 1 . . . . . 129 VAL CA . 51165 1 369 . 1 . 1 105 105 VAL CB C 13 32.291 0.002 . 1 . . . . . 129 VAL CB . 51165 1 370 . 1 . 1 105 105 VAL N N 15 121.965 0.035 . 1 . . . . . 129 VAL N . 51165 1 371 . 1 . 1 106 106 ALA H H 1 7.939 0.001 . 1 . . . . . 130 ALA H . 51165 1 372 . 1 . 1 106 106 ALA C C 13 175.521 0.007 . 1 . . . . . 130 ALA C . 51165 1 373 . 1 . 1 106 106 ALA CA C 13 52.434 0.029 . 1 . . . . . 130 ALA CA . 51165 1 374 . 1 . 1 106 106 ALA CB C 13 20.126 0.014 . 1 . . . . . 130 ALA CB . 51165 1 375 . 1 . 1 106 106 ALA N N 15 131.799 0.012 . 1 . . . . . 130 ALA N . 51165 1 376 . 1 . 1 107 107 THR H H 1 8.287 0.001 . 1 . . . . . 131 THR H . 51165 1 377 . 1 . 1 107 107 THR C C 13 173.218 0.005 . 1 . . . . . 131 THR C . 51165 1 378 . 1 . 1 107 107 THR CA C 13 60.132 0.024 . 1 . . . . . 131 THR CA . 51165 1 379 . 1 . 1 107 107 THR CB C 13 71.114 0.025 . 1 . . . . . 131 THR CB . 51165 1 380 . 1 . 1 107 107 THR N N 15 115.955 0.011 . 1 . . . . . 131 THR N . 51165 1 381 . 1 . 1 108 108 TYR H H 1 9.184 0.004 . 1 . . . . . 132 TYR H . 51165 1 382 . 1 . 1 108 108 TYR C C 13 176.470 0.004 . 1 . . . . . 132 TYR C . 51165 1 383 . 1 . 1 108 108 TYR CA C 13 57.010 0.022 . 1 . . . . . 132 TYR CA . 51165 1 384 . 1 . 1 108 108 TYR CB C 13 43.110 0.004 . 1 . . . . . 132 TYR CB . 51165 1 385 . 1 . 1 108 108 TYR N N 15 120.249 0.006 . 1 . . . . . 132 TYR N . 51165 1 386 . 1 . 1 109 109 ALA H H 1 8.699 0.002 . 1 . . . . . 133 ALA H . 51165 1 387 . 1 . 1 109 109 ALA C C 13 175.374 0.010 . 1 . . . . . 133 ALA C . 51165 1 388 . 1 . 1 109 109 ALA CA C 13 51.640 0.013 . 1 . . . . . 133 ALA CA . 51165 1 389 . 1 . 1 109 109 ALA CB C 13 23.114 0.016 . 1 . . . . . 133 ALA CB . 51165 1 390 . 1 . 1 109 109 ALA N N 15 118.289 0.012 . 1 . . . . . 133 ALA N . 51165 1 391 . 1 . 1 110 110 SER H H 1 10.298 0.002 . 1 . . . . . 134 SER H . 51165 1 392 . 1 . 1 110 110 SER C C 13 172.244 0.000 . 1 . . . . . 134 SER C . 51165 1 393 . 1 . 1 110 110 SER CA C 13 57.712 0.006 . 1 . . . . . 134 SER CA . 51165 1 394 . 1 . 1 110 110 SER CB C 13 61.798 0.000 . 1 . . . . . 134 SER CB . 51165 1 395 . 1 . 1 110 110 SER N N 15 119.172 0.015 . 1 . . . . . 134 SER N . 51165 1 396 . 1 . 1 111 111 PRO C C 13 179.967 0.000 . 1 . . . . . 135 PRO C . 51165 1 397 . 1 . 1 111 111 PRO CA C 13 65.505 0.020 . 1 . . . . . 135 PRO CA . 51165 1 398 . 1 . 1 111 111 PRO CB C 13 31.846 0.012 . 1 . . . . . 135 PRO CB . 51165 1 399 . 1 . 1 112 112 SER H H 1 7.687 0.001 . 1 . . . . . 136 SER H . 51165 1 400 . 1 . 1 112 112 SER C C 13 175.541 0.000 . 1 . . . . . 136 SER C . 51165 1 401 . 1 . 1 112 112 SER CA C 13 61.515 0.056 . 1 . . . . . 136 SER CA . 51165 1 402 . 1 . 1 112 112 SER CB C 13 62.751 0.016 . 1 . . . . . 136 SER CB . 51165 1 403 . 1 . 1 112 112 SER N N 15 112.885 0.015 . 1 . . . . . 136 SER N . 51165 1 404 . 1 . 1 113 113 THR H H 1 8.194 0.002 . 1 . . . . . 137 THR H . 51165 1 405 . 1 . 1 113 113 THR C C 13 176.461 0.012 . 1 . . . . . 137 THR C . 51165 1 406 . 1 . 1 113 113 THR CA C 13 66.041 0.018 . 1 . . . . . 137 THR CA . 51165 1 407 . 1 . 1 113 113 THR CB C 13 67.173 0.038 . 1 . . . . . 137 THR CB . 51165 1 408 . 1 . 1 113 113 THR N N 15 121.022 0.076 . 1 . . . . . 137 THR N . 51165 1 409 . 1 . 1 114 114 ARG H H 1 8.281 0.001 . 1 . . . . . 138 ARG H . 51165 1 410 . 1 . 1 114 114 ARG C C 13 178.131 0.013 . 1 . . . . . 138 ARG C . 51165 1 411 . 1 . 1 114 114 ARG CA C 13 61.448 0.019 . 1 . . . . . 138 ARG CA . 51165 1 412 . 1 . 1 114 114 ARG CB C 13 30.227 0.071 . 1 . . . . . 138 ARG CB . 51165 1 413 . 1 . 1 114 114 ARG N N 15 117.805 0.020 . 1 . . . . . 138 ARG N . 51165 1 414 . 1 . 1 115 115 ARG H H 1 7.760 0.001 . 1 . . . . . 139 ARG H . 51165 1 415 . 1 . 1 115 115 ARG C C 13 178.197 0.017 . 1 . . . . . 139 ARG C . 51165 1 416 . 1 . 1 115 115 ARG CA C 13 59.037 0.032 . 1 . . . . . 139 ARG CA . 51165 1 417 . 1 . 1 115 115 ARG CB C 13 30.017 0.000 . 1 . . . . . 139 ARG CB . 51165 1 418 . 1 . 1 115 115 ARG N N 15 119.112 0.004 . 1 . . . . . 139 ARG N . 51165 1 419 . 1 . 1 116 116 LEU H H 1 8.071 0.002 . 1 . . . . . 140 LEU H . 51165 1 420 . 1 . 1 116 116 LEU C C 13 179.214 0.006 . 1 . . . . . 140 LEU C . 51165 1 421 . 1 . 1 116 116 LEU CA C 13 57.861 0.011 . 1 . . . . . 140 LEU CA . 51165 1 422 . 1 . 1 116 116 LEU CB C 13 40.185 0.007 . 1 . . . . . 140 LEU CB . 51165 1 423 . 1 . 1 116 116 LEU N N 15 119.874 0.088 . 1 . . . . . 140 LEU N . 51165 1 424 . 1 . 1 117 117 ALA H H 1 8.596 0.002 . 1 . . . . . 141 ALA H . 51165 1 425 . 1 . 1 117 117 ALA C C 13 178.829 0.003 . 1 . . . . . 141 ALA C . 51165 1 426 . 1 . 1 117 117 ALA CA C 13 55.915 0.021 . 1 . . . . . 141 ALA CA . 51165 1 427 . 1 . 1 117 117 ALA CB C 13 17.530 0.005 . 1 . . . . . 141 ALA CB . 51165 1 428 . 1 . 1 117 117 ALA N N 15 120.607 0.010 . 1 . . . . . 141 ALA N . 51165 1 429 . 1 . 1 118 118 GLU H H 1 7.646 0.001 . 1 . . . . . 142 GLU H . 51165 1 430 . 1 . 1 118 118 GLU C C 13 180.018 0.009 . 1 . . . . . 142 GLU C . 51165 1 431 . 1 . 1 118 118 GLU CA C 13 59.486 0.011 . 1 . . . . . 142 GLU CA . 51165 1 432 . 1 . 1 118 118 GLU CB C 13 29.666 0.036 . 1 . . . . . 142 GLU CB . 51165 1 433 . 1 . 1 118 118 GLU N N 15 118.045 0.016 . 1 . . . . . 142 GLU N . 51165 1 434 . 1 . 1 119 119 VAL H H 1 8.052 0.002 . 1 . . . . . 143 VAL H . 51165 1 435 . 1 . 1 119 119 VAL C C 13 178.015 0.008 . 1 . . . . . 143 VAL C . 51165 1 436 . 1 . 1 119 119 VAL CA C 13 66.040 0.021 . 1 . . . . . 143 VAL CA . 51165 1 437 . 1 . 1 119 119 VAL CB C 13 31.787 0.009 . 1 . . . . . 143 VAL CB . 51165 1 438 . 1 . 1 119 119 VAL N N 15 119.950 0.009 . 1 . . . . . 143 VAL N . 51165 1 439 . 1 . 1 120 120 GLU H H 1 7.785 0.001 . 1 . . . . . 144 GLU H . 51165 1 440 . 1 . 1 120 120 GLU C C 13 176.551 0.008 . 1 . . . . . 144 GLU C . 51165 1 441 . 1 . 1 120 120 GLU CA C 13 56.628 0.020 . 1 . . . . . 144 GLU CA . 51165 1 442 . 1 . 1 120 120 GLU CB C 13 30.163 0.038 . 1 . . . . . 144 GLU CB . 51165 1 443 . 1 . 1 120 120 GLU N N 15 117.765 0.012 . 1 . . . . . 144 GLU N . 51165 1 444 . 1 . 1 121 121 GLY H H 1 7.798 0.002 . 1 . . . . . 145 GLY H . 51165 1 445 . 1 . 1 121 121 GLY C C 13 175.173 0.003 . 1 . . . . . 145 GLY C . 51165 1 446 . 1 . 1 121 121 GLY CA C 13 45.697 0.018 . 1 . . . . . 145 GLY CA . 51165 1 447 . 1 . 1 121 121 GLY N N 15 106.222 0.007 . 1 . . . . . 145 GLY N . 51165 1 448 . 1 . 1 122 122 ASN H H 1 8.251 0.002 . 1 . . . . . 146 ASN H . 51165 1 449 . 1 . 1 122 122 ASN C C 13 174.180 0.016 . 1 . . . . . 146 ASN C . 51165 1 450 . 1 . 1 122 122 ASN CA C 13 51.267 0.020 . 1 . . . . . 146 ASN CA . 51165 1 451 . 1 . 1 122 122 ASN CB C 13 40.046 0.000 . 1 . . . . . 146 ASN CB . 51165 1 452 . 1 . 1 122 122 ASN N N 15 119.820 0.033 . 1 . . . . . 146 ASN N . 51165 1 453 . 1 . 1 123 123 GLU H H 1 8.152 0.002 . 1 . . . . . 147 GLU H . 51165 1 454 . 1 . 1 123 123 GLU C C 13 174.512 0.010 . 1 . . . . . 147 GLU C . 51165 1 455 . 1 . 1 123 123 GLU CA C 13 57.805 0.018 . 1 . . . . . 147 GLU CA . 51165 1 456 . 1 . 1 123 123 GLU CB C 13 30.872 0.032 . 1 . . . . . 147 GLU CB . 51165 1 457 . 1 . 1 123 123 GLU N N 15 119.742 0.007 . 1 . . . . . 147 GLU N . 51165 1 458 . 1 . 1 124 124 ILE H H 1 8.089 0.002 . 1 . . . . . 148 ILE H . 51165 1 459 . 1 . 1 124 124 ILE C C 13 176.053 0.000 . 1 . . . . . 148 ILE C . 51165 1 460 . 1 . 1 124 124 ILE CA C 13 58.537 0.027 . 1 . . . . . 148 ILE CA . 51165 1 461 . 1 . 1 124 124 ILE CB C 13 41.382 0.000 . 1 . . . . . 148 ILE CB . 51165 1 462 . 1 . 1 124 124 ILE N N 15 115.740 0.009 . 1 . . . . . 148 ILE N . 51165 1 463 . 1 . 1 125 125 PRO C C 13 175.261 0.004 . 1 . . . . . 149 PRO C . 51165 1 464 . 1 . 1 125 125 PRO CA C 13 62.627 0.019 . 1 . . . . . 149 PRO CA . 51165 1 465 . 1 . 1 125 125 PRO CB C 13 32.616 0.021 . 1 . . . . . 149 PRO CB . 51165 1 466 . 1 . 1 126 126 THR H H 1 8.519 0.002 . 1 . . . . . 150 THR H . 51165 1 467 . 1 . 1 126 126 THR C C 13 173.914 0.000 . 1 . . . . . 150 THR C . 51165 1 468 . 1 . 1 126 126 THR CA C 13 67.473 0.039 . 1 . . . . . 150 THR CA . 51165 1 469 . 1 . 1 126 126 THR CB C 13 70.592 0.040 . 1 . . . . . 150 THR CB . 51165 1 470 . 1 . 1 126 126 THR N N 15 122.502 0.031 . 1 . . . . . 150 THR N . 51165 1 471 . 1 . 1 127 127 HIS H H 1 8.836 0.002 . 1 . . . . . 151 HIS H . 51165 1 472 . 1 . 1 127 127 HIS C C 13 175.114 0.008 . 1 . . . . . 151 HIS C . 51165 1 473 . 1 . 1 127 127 HIS CA C 13 55.370 0.026 . 1 . . . . . 151 HIS CA . 51165 1 474 . 1 . 1 127 127 HIS CB C 13 32.942 0.014 . 1 . . . . . 151 HIS CB . 51165 1 475 . 1 . 1 127 127 HIS N N 15 118.480 0.013 . 1 . . . . . 151 HIS N . 51165 1 476 . 1 . 1 128 128 SER H H 1 8.660 0.001 . 1 . . . . . 152 SER H . 51165 1 477 . 1 . 1 128 128 SER C C 13 175.357 0.014 . 1 . . . . . 152 SER C . 51165 1 478 . 1 . 1 128 128 SER CA C 13 57.523 0.036 . 1 . . . . . 152 SER CA . 51165 1 479 . 1 . 1 128 128 SER CB C 13 65.071 0.004 . 1 . . . . . 152 SER CB . 51165 1 480 . 1 . 1 128 128 SER N N 15 116.561 0.009 . 1 . . . . . 152 SER N . 51165 1 481 . 1 . 1 129 129 LEU H H 1 7.973 0.003 . 1 . . . . . 153 LEU H . 51165 1 482 . 1 . 1 129 129 LEU C C 13 175.586 0.012 . 1 . . . . . 153 LEU C . 51165 1 483 . 1 . 1 129 129 LEU CA C 13 53.748 0.018 . 1 . . . . . 153 LEU CA . 51165 1 484 . 1 . 1 129 129 LEU CB C 13 44.071 0.025 . 1 . . . . . 153 LEU CB . 51165 1 485 . 1 . 1 129 129 LEU N N 15 125.792 0.021 . 1 . . . . . 153 LEU N . 51165 1 486 . 1 . 1 130 130 GLU H H 1 8.354 0.002 . 1 . . . . . 154 GLU H . 51165 1 487 . 1 . 1 130 130 GLU C C 13 176.495 0.005 . 1 . . . . . 154 GLU C . 51165 1 488 . 1 . 1 130 130 GLU CA C 13 56.005 0.010 . 1 . . . . . 154 GLU CA . 51165 1 489 . 1 . 1 130 130 GLU CB C 13 31.102 0.019 . 1 . . . . . 154 GLU CB . 51165 1 490 . 1 . 1 130 130 GLU N N 15 122.517 0.006 . 1 . . . . . 154 GLU N . 51165 1 491 . 1 . 1 131 131 GLY H H 1 8.277 0.001 . 1 . . . . . 155 GLY H . 51165 1 492 . 1 . 1 131 131 GLY C C 13 174.084 0.018 . 1 . . . . . 155 GLY C . 51165 1 493 . 1 . 1 131 131 GLY CA C 13 45.870 0.020 . 1 . . . . . 155 GLY CA . 51165 1 494 . 1 . 1 131 131 GLY N N 15 106.576 0.012 . 1 . . . . . 155 GLY N . 51165 1 495 . 1 . 1 132 132 LEU H H 1 8.135 0.005 . 1 . . . . . 156 LEU H . 51165 1 496 . 1 . 1 132 132 LEU C C 13 175.652 0.010 . 1 . . . . . 156 LEU C . 51165 1 497 . 1 . 1 132 132 LEU CA C 13 53.280 0.054 . 1 . . . . . 156 LEU CA . 51165 1 498 . 1 . 1 132 132 LEU CB C 13 42.983 0.006 . 1 . . . . . 156 LEU CB . 51165 1 499 . 1 . 1 132 132 LEU N N 15 119.688 0.025 . 1 . . . . . 156 LEU N . 51165 1 500 . 1 . 1 133 133 SER H H 1 8.420 0.001 . 1 . . . . . 157 SER H . 51165 1 501 . 1 . 1 133 133 SER C C 13 174.467 0.003 . 1 . . . . . 157 SER C . 51165 1 502 . 1 . 1 133 133 SER CA C 13 60.475 0.041 . 1 . . . . . 157 SER CA . 51165 1 503 . 1 . 1 133 133 SER CB C 13 64.952 0.013 . 1 . . . . . 157 SER CB . 51165 1 504 . 1 . 1 133 133 SER N N 15 114.507 0.013 . 1 . . . . . 157 SER N . 51165 1 505 . 1 . 1 134 134 SER H H 1 9.003 0.001 . 1 . . . . . 158 SER H . 51165 1 506 . 1 . 1 134 134 SER C C 13 173.416 0.001 . 1 . . . . . 158 SER C . 51165 1 507 . 1 . 1 134 134 SER CA C 13 57.186 0.029 . 1 . . . . . 158 SER CA . 51165 1 508 . 1 . 1 134 134 SER CB C 13 64.929 0.001 . 1 . . . . . 158 SER CB . 51165 1 509 . 1 . 1 134 134 SER N N 15 119.147 0.007 . 1 . . . . . 158 SER N . 51165 1 510 . 1 . 1 135 135 SER H H 1 8.697 0.001 . 1 . . . . . 159 SER H . 51165 1 511 . 1 . 1 135 135 SER C C 13 175.679 0.005 . 1 . . . . . 159 SER C . 51165 1 512 . 1 . 1 135 135 SER CA C 13 59.668 0.023 . 1 . . . . . 159 SER CA . 51165 1 513 . 1 . 1 135 135 SER CB C 13 62.324 0.017 . 1 . . . . . 159 SER CB . 51165 1 514 . 1 . 1 135 135 SER N N 15 120.105 0.022 . 1 . . . . . 159 SER N . 51165 1 515 . 1 . 1 136 136 GLY H H 1 8.921 0.003 . 1 . . . . . 160 GLY H . 51165 1 516 . 1 . 1 136 136 GLY C C 13 173.221 0.007 . 1 . . . . . 160 GLY C . 51165 1 517 . 1 . 1 136 136 GLY CA C 13 44.731 0.011 . 1 . . . . . 160 GLY CA . 51165 1 518 . 1 . 1 136 136 GLY N N 15 112.934 0.014 . 1 . . . . . 160 GLY N . 51165 1 519 . 1 . 1 137 137 ASP H H 1 8.080 0.002 . 1 . . . . . 161 ASP H . 51165 1 520 . 1 . 1 137 137 ASP C C 13 173.783 0.010 . 1 . . . . . 161 ASP C . 51165 1 521 . 1 . 1 137 137 ASP CA C 13 55.685 0.022 . 1 . . . . . 161 ASP CA . 51165 1 522 . 1 . 1 137 137 ASP CB C 13 42.232 0.011 . 1 . . . . . 161 ASP CB . 51165 1 523 . 1 . 1 137 137 ASP N N 15 123.519 0.010 . 1 . . . . . 161 ASP N . 51165 1 524 . 1 . 1 138 138 ALA H H 1 7.994 0.001 . 1 . . . . . 162 ALA H . 51165 1 525 . 1 . 1 138 138 ALA C C 13 177.532 0.006 . 1 . . . . . 162 ALA C . 51165 1 526 . 1 . 1 138 138 ALA CA C 13 50.417 0.020 . 1 . . . . . 162 ALA CA . 51165 1 527 . 1 . 1 138 138 ALA CB C 13 24.021 0.006 . 1 . . . . . 162 ALA CB . 51165 1 528 . 1 . 1 138 138 ALA N N 15 120.651 0.034 . 1 . . . . . 162 ALA N . 51165 1 529 . 1 . 1 139 139 VAL H H 1 9.094 0.002 . 1 . . . . . 163 VAL H . 51165 1 530 . 1 . 1 139 139 VAL C C 13 174.502 0.006 . 1 . . . . . 163 VAL C . 51165 1 531 . 1 . 1 139 139 VAL CA C 13 60.193 0.032 . 1 . . . . . 163 VAL CA . 51165 1 532 . 1 . 1 139 139 VAL CB C 13 36.683 0.004 . 1 . . . . . 163 VAL CB . 51165 1 533 . 1 . 1 139 139 VAL N N 15 116.865 0.005 . 1 . . . . . 163 VAL N . 51165 1 534 . 1 . 1 140 140 ARG H H 1 8.803 0.001 . 1 . . . . . 164 ARG H . 51165 1 535 . 1 . 1 140 140 ARG C C 13 175.519 0.008 . 1 . . . . . 164 ARG C . 51165 1 536 . 1 . 1 140 140 ARG CA C 13 55.400 0.028 . 1 . . . . . 164 ARG CA . 51165 1 537 . 1 . 1 140 140 ARG CB C 13 30.083 0.011 . 1 . . . . . 164 ARG CB . 51165 1 538 . 1 . 1 140 140 ARG N N 15 125.086 0.007 . 1 . . . . . 164 ARG N . 51165 1 539 . 1 . 1 141 141 PHE H H 1 8.993 0.001 . 1 . . . . . 165 PHE H . 51165 1 540 . 1 . 1 141 141 PHE C C 13 173.579 0.005 . 1 . . . . . 165 PHE C . 51165 1 541 . 1 . 1 141 141 PHE CA C 13 57.069 0.032 . 1 . . . . . 165 PHE CA . 51165 1 542 . 1 . 1 141 141 PHE CB C 13 41.545 0.006 . 1 . . . . . 165 PHE CB . 51165 1 543 . 1 . 1 141 141 PHE N N 15 130.135 0.008 . 1 . . . . . 165 PHE N . 51165 1 544 . 1 . 1 142 142 GLY H H 1 8.456 0.002 . 1 . . . . . 166 GLY H . 51165 1 545 . 1 . 1 142 142 GLY C C 13 173.822 0.000 . 1 . . . . . 166 GLY C . 51165 1 546 . 1 . 1 142 142 GLY CA C 13 44.909 0.003 . 1 . . . . . 166 GLY CA . 51165 1 547 . 1 . 1 142 142 GLY N N 15 114.647 0.008 . 1 . . . . . 166 GLY N . 51165 1 548 . 1 . 1 143 143 PRO C C 13 175.346 0.004 . 1 . . . . . 167 PRO C . 51165 1 549 . 1 . 1 143 143 PRO CA C 13 63.414 0.013 . 1 . . . . . 167 PRO CA . 51165 1 550 . 1 . 1 143 143 PRO CB C 13 32.681 0.024 . 1 . . . . . 167 PRO CB . 51165 1 551 . 1 . 1 144 144 VAL H H 1 7.606 0.001 . 1 . . . . . 168 VAL H . 51165 1 552 . 1 . 1 144 144 VAL C C 13 174.216 0.006 . 1 . . . . . 168 VAL C . 51165 1 553 . 1 . 1 144 144 VAL CA C 13 58.465 0.033 . 1 . . . . . 168 VAL CA . 51165 1 554 . 1 . 1 144 144 VAL CB C 13 34.767 0.007 . 1 . . . . . 168 VAL CB . 51165 1 555 . 1 . 1 144 144 VAL N N 15 110.507 0.014 . 1 . . . . . 168 VAL N . 51165 1 556 . 1 . 1 145 145 GLU H H 1 9.562 0.002 . 1 . . . . . 169 GLU H . 51165 1 557 . 1 . 1 145 145 GLU C C 13 174.721 0.003 . 1 . . . . . 169 GLU C . 51165 1 558 . 1 . 1 145 145 GLU CA C 13 55.584 0.031 . 1 . . . . . 169 GLU CA . 51165 1 559 . 1 . 1 145 145 GLU CB C 13 34.051 0.004 . 1 . . . . . 169 GLU CB . 51165 1 560 . 1 . 1 145 145 GLU N N 15 121.713 0.011 . 1 . . . . . 169 GLU N . 51165 1 561 . 1 . 1 146 146 LEU H H 1 9.320 0.002 . 1 . . . . . 170 LEU H . 51165 1 562 . 1 . 1 146 146 LEU C C 13 174.730 0.028 . 1 . . . . . 170 LEU C . 51165 1 563 . 1 . 1 146 146 LEU CA C 13 53.193 0.008 . 1 . . . . . 170 LEU CA . 51165 1 564 . 1 . 1 146 146 LEU CB C 13 43.600 0.028 . 1 . . . . . 170 LEU CB . 51165 1 565 . 1 . 1 146 146 LEU N N 15 124.787 0.008 . 1 . . . . . 170 LEU N . 51165 1 566 . 1 . 1 147 147 PHE H H 1 9.035 0.003 . 1 . . . . . 171 PHE H . 51165 1 567 . 1 . 1 147 147 PHE C C 13 174.175 0.012 . 1 . . . . . 171 PHE C . 51165 1 568 . 1 . 1 147 147 PHE CA C 13 55.180 0.021 . 1 . . . . . 171 PHE CA . 51165 1 569 . 1 . 1 147 147 PHE CB C 13 43.290 0.040 . 1 . . . . . 171 PHE CB . 51165 1 570 . 1 . 1 147 147 PHE N N 15 122.736 0.022 . 1 . . . . . 171 PHE N . 51165 1 571 . 1 . 1 148 148 TYR H H 1 8.541 0.002 . 1 . . . . . 172 TYR H . 51165 1 572 . 1 . 1 148 148 TYR C C 13 172.854 0.000 . 1 . . . . . 172 TYR C . 51165 1 573 . 1 . 1 148 148 TYR CA C 13 51.770 0.009 . 1 . . . . . 172 TYR CA . 51165 1 574 . 1 . 1 148 148 TYR CB C 13 38.312 0.000 . 1 . . . . . 172 TYR CB . 51165 1 575 . 1 . 1 148 148 TYR N N 15 127.779 0.023 . 1 . . . . . 172 TYR N . 51165 1 576 . 1 . 1 150 150 GLY C C 13 171.789 0.001 . 1 . . . . . 174 GLY C . 51165 1 577 . 1 . 1 150 150 GLY CA C 13 43.692 0.016 . 1 . . . . . 174 GLY CA . 51165 1 578 . 1 . 1 151 151 ALA H H 1 8.001 0.001 . 1 . . . . . 175 ALA H . 51165 1 579 . 1 . 1 151 151 ALA C C 13 177.637 0.006 . 1 . . . . . 175 ALA C . 51165 1 580 . 1 . 1 151 151 ALA CA C 13 52.475 0.025 . 1 . . . . . 175 ALA CA . 51165 1 581 . 1 . 1 151 151 ALA CB C 13 21.038 0.013 . 1 . . . . . 175 ALA CB . 51165 1 582 . 1 . 1 151 151 ALA N N 15 117.679 0.015 . 1 . . . . . 175 ALA N . 51165 1 583 . 1 . 1 152 152 ALA H H 1 7.425 0.003 . 1 . . . . . 176 ALA H . 51165 1 584 . 1 . 1 152 152 ALA C C 13 172.680 0.010 . 1 . . . . . 176 ALA C . 51165 1 585 . 1 . 1 152 152 ALA CA C 13 52.957 0.036 . 1 . . . . . 176 ALA CA . 51165 1 586 . 1 . 1 152 152 ALA CB C 13 16.624 0.009 . 1 . . . . . 176 ALA CB . 51165 1 587 . 1 . 1 152 152 ALA N N 15 123.229 0.011 . 1 . . . . . 176 ALA N . 51165 1 588 . 1 . 1 153 153 HIS H H 1 6.279 0.005 . 1 . . . . . 177 HIS H . 51165 1 589 . 1 . 1 153 153 HIS C C 13 172.168 0.014 . 1 . . . . . 177 HIS C . 51165 1 590 . 1 . 1 153 153 HIS CA C 13 58.626 0.029 . 1 . . . . . 177 HIS CA . 51165 1 591 . 1 . 1 153 153 HIS CB C 13 27.456 0.007 . 1 . . . . . 177 HIS CB . 51165 1 592 . 1 . 1 153 153 HIS N N 15 124.382 0.029 . 1 . . . . . 177 HIS N . 51165 1 593 . 1 . 1 154 154 SER H H 1 7.742 0.001 . 1 . . . . . 178 SER H . 51165 1 594 . 1 . 1 154 154 SER C C 13 176.471 0.003 . 1 . . . . . 178 SER C . 51165 1 595 . 1 . 1 154 154 SER CA C 13 57.313 0.033 . 1 . . . . . 178 SER CA . 51165 1 596 . 1 . 1 154 154 SER CB C 13 65.291 0.007 . 1 . . . . . 178 SER CB . 51165 1 597 . 1 . 1 154 154 SER N N 15 107.282 0.012 . 1 . . . . . 178 SER N . 51165 1 598 . 1 . 1 155 155 THR H H 1 9.648 0.002 . 1 . . . . . 179 THR H . 51165 1 599 . 1 . 1 155 155 THR C C 13 173.925 0.006 . 1 . . . . . 179 THR C . 51165 1 600 . 1 . 1 155 155 THR CA C 13 65.358 0.075 . 1 . . . . . 179 THR CA . 51165 1 601 . 1 . 1 155 155 THR CB C 13 68.999 0.015 . 1 . . . . . 179 THR CB . 51165 1 602 . 1 . 1 155 155 THR N N 15 114.766 0.017 . 1 . . . . . 179 THR N . 51165 1 603 . 1 . 1 156 156 ASP H H 1 10.186 0.003 . 1 . . . . . 180 ASP H . 51165 1 604 . 1 . 1 156 156 ASP C C 13 176.048 0.010 . 1 . . . . . 180 ASP C . 51165 1 605 . 1 . 1 156 156 ASP CA C 13 53.099 0.019 . 1 . . . . . 180 ASP CA . 51165 1 606 . 1 . 1 156 156 ASP CB C 13 40.557 0.009 . 1 . . . . . 180 ASP CB . 51165 1 607 . 1 . 1 156 156 ASP N N 15 117.484 0.006 . 1 . . . . . 180 ASP N . 51165 1 608 . 1 . 1 157 157 ASN H H 1 6.545 0.002 . 1 . . . . . 181 ASN H . 51165 1 609 . 1 . 1 157 157 ASN C C 13 175.366 0.006 . 1 . . . . . 181 ASN C . 51165 1 610 . 1 . 1 157 157 ASN CA C 13 54.545 0.009 . 1 . . . . . 181 ASN CA . 51165 1 611 . 1 . 1 157 157 ASN CB C 13 39.010 0.015 . 1 . . . . . 181 ASN CB . 51165 1 612 . 1 . 1 157 157 ASN N N 15 116.246 0.024 . 1 . . . . . 181 ASN N . 51165 1 613 . 1 . 1 158 158 LEU H H 1 8.943 0.003 . 1 . . . . . 182 LEU H . 51165 1 614 . 1 . 1 158 158 LEU C C 13 177.912 0.007 . 1 . . . . . 182 LEU C . 51165 1 615 . 1 . 1 158 158 LEU CA C 13 53.317 0.019 . 1 . . . . . 182 LEU CA . 51165 1 616 . 1 . 1 158 158 LEU CB C 13 46.332 0.021 . 1 . . . . . 182 LEU CB . 51165 1 617 . 1 . 1 158 158 LEU N N 15 119.773 0.019 . 1 . . . . . 182 LEU N . 51165 1 618 . 1 . 1 159 159 VAL H H 1 9.183 0.002 . 1 . . . . . 183 VAL H . 51165 1 619 . 1 . 1 159 159 VAL C C 13 173.778 0.002 . 1 . . . . . 183 VAL C . 51165 1 620 . 1 . 1 159 159 VAL CA C 13 59.911 0.029 . 1 . . . . . 183 VAL CA . 51165 1 621 . 1 . 1 159 159 VAL CB C 13 33.766 0.015 . 1 . . . . . 183 VAL CB . 51165 1 622 . 1 . 1 159 159 VAL N N 15 113.756 0.040 . 1 . . . . . 183 VAL N . 51165 1 623 . 1 . 1 160 160 VAL H H 1 8.610 0.003 . 1 . . . . . 184 VAL H . 51165 1 624 . 1 . 1 160 160 VAL C C 13 173.213 0.002 . 1 . . . . . 184 VAL C . 51165 1 625 . 1 . 1 160 160 VAL CA C 13 60.954 0.018 . 1 . . . . . 184 VAL CA . 51165 1 626 . 1 . 1 160 160 VAL CB C 13 36.057 0.020 . 1 . . . . . 184 VAL CB . 51165 1 627 . 1 . 1 160 160 VAL N N 15 119.669 0.035 . 1 . . . . . 184 VAL N . 51165 1 628 . 1 . 1 161 161 TYR H H 1 9.666 0.002 . 1 . . . . . 185 TYR H . 51165 1 629 . 1 . 1 161 161 TYR C C 13 174.709 0.006 . 1 . . . . . 185 TYR C . 51165 1 630 . 1 . 1 161 161 TYR CA C 13 54.943 0.015 . 1 . . . . . 185 TYR CA . 51165 1 631 . 1 . 1 161 161 TYR CB C 13 43.322 0.031 . 1 . . . . . 185 TYR CB . 51165 1 632 . 1 . 1 161 161 TYR N N 15 128.623 0.019 . 1 . . . . . 185 TYR N . 51165 1 633 . 1 . 1 162 162 VAL H H 1 8.679 0.002 . 1 . . . . . 186 VAL H . 51165 1 634 . 1 . 1 162 162 VAL C C 13 175.113 0.000 . 1 . . . . . 186 VAL C . 51165 1 635 . 1 . 1 162 162 VAL CA C 13 58.716 0.030 . 1 . . . . . 186 VAL CA . 51165 1 636 . 1 . 1 162 162 VAL CB C 13 31.834 0.000 . 1 . . . . . 186 VAL CB . 51165 1 637 . 1 . 1 162 162 VAL N N 15 126.945 0.017 . 1 . . . . . 186 VAL N . 51165 1 638 . 1 . 1 163 163 PRO C C 13 176.324 0.008 . 1 . . . . . 187 PRO C . 51165 1 639 . 1 . 1 163 163 PRO CA C 13 65.248 0.000 . 1 . . . . . 187 PRO CA . 51165 1 640 . 1 . 1 163 163 PRO CB C 13 31.796 0.001 . 1 . . . . . 187 PRO CB . 51165 1 641 . 1 . 1 164 164 SER H H 1 7.728 0.001 . 1 . . . . . 188 SER H . 51165 1 642 . 1 . 1 164 164 SER C C 13 174.586 0.000 . 1 . . . . . 188 SER C . 51165 1 643 . 1 . 1 164 164 SER CA C 13 60.582 0.279 . 1 . . . . . 188 SER CA . 51165 1 644 . 1 . 1 164 164 SER CB C 13 62.375 0.360 . 1 . . . . . 188 SER CB . 51165 1 645 . 1 . 1 164 164 SER N N 15 113.086 0.014 . 1 . . . . . 188 SER N . 51165 1 646 . 1 . 1 165 165 ALA H H 1 6.630 0.002 . 1 . . . . . 189 ALA H . 51165 1 647 . 1 . 1 165 165 ALA C C 13 175.469 0.009 . 1 . . . . . 189 ALA C . 51165 1 648 . 1 . 1 165 165 ALA CA C 13 50.785 0.022 . 1 . . . . . 189 ALA CA . 51165 1 649 . 1 . 1 165 165 ALA CB C 13 21.910 0.008 . 1 . . . . . 189 ALA CB . 51165 1 650 . 1 . 1 165 165 ALA N N 15 120.707 0.010 . 1 . . . . . 189 ALA N . 51165 1 651 . 1 . 1 166 166 SER H H 1 7.634 0.002 . 1 . . . . . 190 SER H . 51165 1 652 . 1 . 1 166 166 SER C C 13 174.124 0.018 . 1 . . . . . 190 SER C . 51165 1 653 . 1 . 1 166 166 SER CA C 13 58.589 0.041 . 1 . . . . . 190 SER CA . 51165 1 654 . 1 . 1 166 166 SER CB C 13 61.529 0.026 . 1 . . . . . 190 SER CB . 51165 1 655 . 1 . 1 166 166 SER N N 15 112.043 0.020 . 1 . . . . . 190 SER N . 51165 1 656 . 1 . 1 167 167 VAL H H 1 6.682 0.002 . 1 . . . . . 191 VAL H . 51165 1 657 . 1 . 1 167 167 VAL C C 13 172.609 0.006 . 1 . . . . . 191 VAL C . 51165 1 658 . 1 . 1 167 167 VAL CA C 13 60.529 0.027 . 1 . . . . . 191 VAL CA . 51165 1 659 . 1 . 1 167 167 VAL CB C 13 34.656 0.022 . 1 . . . . . 191 VAL CB . 51165 1 660 . 1 . 1 167 167 VAL N N 15 116.973 0.005 . 1 . . . . . 191 VAL N . 51165 1 661 . 1 . 1 168 168 LEU H H 1 9.425 0.003 . 1 . . . . . 192 LEU H . 51165 1 662 . 1 . 1 168 168 LEU C C 13 173.589 0.011 . 1 . . . . . 192 LEU C . 51165 1 663 . 1 . 1 168 168 LEU CA C 13 53.109 0.016 . 1 . . . . . 192 LEU CA . 51165 1 664 . 1 . 1 168 168 LEU CB C 13 45.592 0.018 . 1 . . . . . 192 LEU CB . 51165 1 665 . 1 . 1 168 168 LEU N N 15 129.096 0.020 . 1 . . . . . 192 LEU N . 51165 1 666 . 1 . 1 169 169 TYR H H 1 10.088 0.004 . 1 . . . . . 193 TYR H . 51165 1 667 . 1 . 1 169 169 TYR C C 13 174.265 0.018 . 1 . . . . . 193 TYR C . 51165 1 668 . 1 . 1 169 169 TYR CA C 13 56.146 0.007 . 1 . . . . . 193 TYR CA . 51165 1 669 . 1 . 1 169 169 TYR CB C 13 40.185 0.008 . 1 . . . . . 193 TYR CB . 51165 1 670 . 1 . 1 169 169 TYR N N 15 128.792 0.027 . 1 . . . . . 193 TYR N . 51165 1 671 . 1 . 1 170 170 GLY H H 1 8.684 0.004 . 1 . . . . . 194 GLY H . 51165 1 672 . 1 . 1 170 170 GLY C C 13 173.893 0.000 . 1 . . . . . 194 GLY C . 51165 1 673 . 1 . 1 170 170 GLY CA C 13 44.986 0.012 . 1 . . . . . 194 GLY CA . 51165 1 674 . 1 . 1 170 170 GLY N N 15 112.218 0.023 . 1 . . . . . 194 GLY N . 51165 1 675 . 1 . 1 171 171 GLY C C 13 174.075 0.000 . 1 . . . . . 195 GLY C . 51165 1 676 . 1 . 1 171 171 GLY CA C 13 45.728 0.001 . 1 . . . . . 195 GLY CA . 51165 1 677 . 1 . 1 172 172 CYS H H 1 7.705 0.004 . 1 . . . . . 196 CYS H . 51165 1 678 . 1 . 1 172 172 CYS C C 13 173.804 0.015 . 1 . . . . . 196 CYS C . 51165 1 679 . 1 . 1 172 172 CYS CA C 13 62.660 0.044 . 1 . . . . . 196 CYS CA . 51165 1 680 . 1 . 1 172 172 CYS CB C 13 26.273 0.032 . 1 . . . . . 196 CYS CB . 51165 1 681 . 1 . 1 172 172 CYS N N 15 123.325 0.042 . 1 . . . . . 196 CYS N . 51165 1 682 . 1 . 1 173 173 ALA H H 1 6.600 0.001 . 1 . . . . . 197 ALA H . 51165 1 683 . 1 . 1 173 173 ALA C C 13 174.185 0.011 . 1 . . . . . 197 ALA C . 51165 1 684 . 1 . 1 173 173 ALA CA C 13 53.060 0.009 . 1 . . . . . 197 ALA CA . 51165 1 685 . 1 . 1 173 173 ALA CB C 13 17.651 0.006 . 1 . . . . . 197 ALA CB . 51165 1 686 . 1 . 1 173 173 ALA N N 15 115.695 0.025 . 1 . . . . . 197 ALA N . 51165 1 687 . 1 . 1 174 174 ILE H H 1 7.187 0.001 . 1 . . . . . 198 ILE H . 51165 1 688 . 1 . 1 174 174 ILE C C 13 174.355 0.040 . 1 . . . . . 198 ILE C . 51165 1 689 . 1 . 1 174 174 ILE CA C 13 58.809 0.031 . 1 . . . . . 198 ILE CA . 51165 1 690 . 1 . 1 174 174 ILE CB C 13 40.382 0.023 . 1 . . . . . 198 ILE CB . 51165 1 691 . 1 . 1 174 174 ILE N N 15 113.518 0.009 . 1 . . . . . 198 ILE N . 51165 1 692 . 1 . 1 175 175 TYR H H 1 9.037 0.003 . 1 . . . . . 199 TYR H . 51165 1 693 . 1 . 1 175 175 TYR C C 13 174.463 0.000 . 1 . . . . . 199 TYR C . 51165 1 694 . 1 . 1 175 175 TYR CA C 13 53.641 0.028 . 1 . . . . . 199 TYR CA . 51165 1 695 . 1 . 1 175 175 TYR CB C 13 39.350 0.002 . 1 . . . . . 199 TYR CB . 51165 1 696 . 1 . 1 175 175 TYR N N 15 128.762 0.025 . 1 . . . . . 199 TYR N . 51165 1 697 . 1 . 1 176 176 GLU H H 1 8.501 0.007 . 1 . . . . . 200 GLU H . 51165 1 698 . 1 . 1 176 176 GLU C C 13 176.553 0.001 . 1 . . . . . 200 GLU C . 51165 1 699 . 1 . 1 176 176 GLU CA C 13 54.887 0.019 . 1 . . . . . 200 GLU CA . 51165 1 700 . 1 . 1 176 176 GLU CB C 13 29.624 0.016 . 1 . . . . . 200 GLU CB . 51165 1 701 . 1 . 1 176 176 GLU N N 15 116.130 0.051 . 1 . . . . . 200 GLU N . 51165 1 702 . 1 . 1 177 177 LEU H H 1 8.386 0.002 . 1 . . . . . 201 LEU H . 51165 1 703 . 1 . 1 177 177 LEU C C 13 177.977 0.004 . 1 . . . . . 201 LEU C . 51165 1 704 . 1 . 1 177 177 LEU CA C 13 57.336 0.019 . 1 . . . . . 201 LEU CA . 51165 1 705 . 1 . 1 177 177 LEU CB C 13 42.108 0.018 . 1 . . . . . 201 LEU CB . 51165 1 706 . 1 . 1 177 177 LEU N N 15 121.179 0.017 . 1 . . . . . 201 LEU N . 51165 1 707 . 1 . 1 178 178 SER H H 1 8.491 0.003 . 1 . . . . . 202 SER H . 51165 1 708 . 1 . 1 178 178 SER C C 13 174.642 0.016 . 1 . . . . . 202 SER C . 51165 1 709 . 1 . 1 178 178 SER CA C 13 59.250 0.045 . 1 . . . . . 202 SER CA . 51165 1 710 . 1 . 1 178 178 SER CB C 13 63.267 0.039 . 1 . . . . . 202 SER CB . 51165 1 711 . 1 . 1 178 178 SER N N 15 108.650 0.051 . 1 . . . . . 202 SER N . 51165 1 712 . 1 . 1 179 179 ARG H H 1 7.714 0.002 . 1 . . . . . 203 ARG H . 51165 1 713 . 1 . 1 179 179 ARG C C 13 175.803 0.002 . 1 . . . . . 203 ARG C . 51165 1 714 . 1 . 1 179 179 ARG CA C 13 56.450 0.021 . 1 . . . . . 203 ARG CA . 51165 1 715 . 1 . 1 179 179 ARG CB C 13 30.843 0.018 . 1 . . . . . 203 ARG CB . 51165 1 716 . 1 . 1 179 179 ARG N N 15 124.676 0.015 . 1 . . . . . 203 ARG N . 51165 1 717 . 1 . 1 180 180 THR H H 1 8.332 0.004 . 1 . . . . . 204 THR H . 51165 1 718 . 1 . 1 180 180 THR C C 13 173.851 0.001 . 1 . . . . . 204 THR C . 51165 1 719 . 1 . 1 180 180 THR CA C 13 61.487 0.042 . 1 . . . . . 204 THR CA . 51165 1 720 . 1 . 1 180 180 THR CB C 13 69.468 0.003 . 1 . . . . . 204 THR CB . 51165 1 721 . 1 . 1 180 180 THR N N 15 114.500 0.025 . 1 . . . . . 204 THR N . 51165 1 722 . 1 . 1 181 181 SER H H 1 7.524 0.003 . 1 . . . . . 205 SER H . 51165 1 723 . 1 . 1 181 181 SER C C 13 173.154 0.048 . 1 . . . . . 205 SER C . 51165 1 724 . 1 . 1 181 181 SER CA C 13 56.547 0.024 . 1 . . . . . 205 SER CA . 51165 1 725 . 1 . 1 181 181 SER CB C 13 65.349 0.022 . 1 . . . . . 205 SER CB . 51165 1 726 . 1 . 1 181 181 SER N N 15 115.626 0.048 . 1 . . . . . 205 SER N . 51165 1 727 . 1 . 1 182 182 ALA H H 1 8.629 0.007 . 1 . . . . . 206 ALA H . 51165 1 728 . 1 . 1 182 182 ALA C C 13 178.116 0.020 . 1 . . . . . 206 ALA C . 51165 1 729 . 1 . 1 182 182 ALA CA C 13 53.221 0.066 . 1 . . . . . 206 ALA CA . 51165 1 730 . 1 . 1 182 182 ALA CB C 13 18.420 0.055 . 1 . . . . . 206 ALA CB . 51165 1 731 . 1 . 1 182 182 ALA N N 15 124.774 0.077 . 1 . . . . . 206 ALA N . 51165 1 732 . 1 . 1 183 183 GLY H H 1 7.649 0.008 . 1 . . . . . 207 GLY H . 51165 1 733 . 1 . 1 183 183 GLY CA C 13 44.744 0.024 . 1 . . . . . 207 GLY CA . 51165 1 734 . 1 . 1 183 183 GLY N N 15 106.009 0.029 . 1 . . . . . 207 GLY N . 51165 1 735 . 1 . 1 184 184 ASN C C 13 179.387 0.000 . 1 . . . . . 208 ASN C . 51165 1 736 . 1 . 1 184 184 ASN CA C 13 56.326 0.000 . 1 . . . . . 208 ASN CA . 51165 1 737 . 1 . 1 185 185 VAL H H 1 8.493 0.003 . 1 . . . . . 209 VAL H . 51165 1 738 . 1 . 1 185 185 VAL C C 13 177.041 0.000 . 1 . . . . . 209 VAL C . 51165 1 739 . 1 . 1 185 185 VAL CA C 13 60.144 0.057 . 1 . . . . . 209 VAL CA . 51165 1 740 . 1 . 1 185 185 VAL CB C 13 31.878 0.000 . 1 . . . . . 209 VAL CB . 51165 1 741 . 1 . 1 185 185 VAL N N 15 119.386 0.021 . 1 . . . . . 209 VAL N . 51165 1 742 . 1 . 1 186 186 ALA H H 1 8.200 0.004 . 1 . . . . . 210 ALA H . 51165 1 743 . 1 . 1 186 186 ALA C C 13 178.639 0.011 . 1 . . . . . 210 ALA C . 51165 1 744 . 1 . 1 186 186 ALA CA C 13 55.582 0.029 . 1 . . . . . 210 ALA CA . 51165 1 745 . 1 . 1 186 186 ALA CB C 13 18.865 0.025 . 1 . . . . . 210 ALA CB . 51165 1 746 . 1 . 1 186 186 ALA N N 15 126.680 0.069 . 1 . . . . . 210 ALA N . 51165 1 747 . 1 . 1 187 187 ASP H H 1 8.017 0.005 . 1 . . . . . 211 ASP H . 51165 1 748 . 1 . 1 187 187 ASP C C 13 174.908 0.000 . 1 . . . . . 211 ASP C . 51165 1 749 . 1 . 1 187 187 ASP CA C 13 54.055 0.023 . 1 . . . . . 211 ASP CA . 51165 1 750 . 1 . 1 187 187 ASP CB C 13 41.938 0.000 . 1 . . . . . 211 ASP CB . 51165 1 751 . 1 . 1 187 187 ASP N N 15 114.477 0.026 . 1 . . . . . 211 ASP N . 51165 1 752 . 1 . 1 188 188 ALA H H 1 7.203 0.004 . 1 . . . . . 212 ALA H . 51165 1 753 . 1 . 1 188 188 ALA C C 13 177.404 0.015 . 1 . . . . . 212 ALA C . 51165 1 754 . 1 . 1 188 188 ALA CA C 13 52.047 0.015 . 1 . . . . . 212 ALA CA . 51165 1 755 . 1 . 1 188 188 ALA CB C 13 22.185 0.006 . 1 . . . . . 212 ALA CB . 51165 1 756 . 1 . 1 188 188 ALA N N 15 122.426 0.038 . 1 . . . . . 212 ALA N . 51165 1 757 . 1 . 1 189 189 ASP H H 1 7.941 0.003 . 1 . . . . . 213 ASP H . 51165 1 758 . 1 . 1 189 189 ASP C C 13 176.296 0.000 . 1 . . . . . 213 ASP C . 51165 1 759 . 1 . 1 189 189 ASP CA C 13 52.213 0.050 . 1 . . . . . 213 ASP CA . 51165 1 760 . 1 . 1 189 189 ASP CB C 13 41.990 0.033 . 1 . . . . . 213 ASP CB . 51165 1 761 . 1 . 1 189 189 ASP N N 15 118.909 0.030 . 1 . . . . . 213 ASP N . 51165 1 762 . 1 . 1 190 190 LEU H H 1 8.677 0.008 . 1 . . . . . 214 LEU H . 51165 1 763 . 1 . 1 190 190 LEU C C 13 178.140 0.014 . 1 . . . . . 214 LEU C . 51165 1 764 . 1 . 1 190 190 LEU CA C 13 58.369 0.037 . 1 . . . . . 214 LEU CA . 51165 1 765 . 1 . 1 190 190 LEU CB C 13 41.270 0.016 . 1 . . . . . 214 LEU CB . 51165 1 766 . 1 . 1 190 190 LEU N N 15 122.620 0.086 . 1 . . . . . 214 LEU N . 51165 1 767 . 1 . 1 191 191 ALA H H 1 7.933 0.001 . 1 . . . . . 215 ALA H . 51165 1 768 . 1 . 1 191 191 ALA C C 13 179.844 0.006 . 1 . . . . . 215 ALA C . 51165 1 769 . 1 . 1 191 191 ALA CA C 13 54.277 0.022 . 1 . . . . . 215 ALA CA . 51165 1 770 . 1 . 1 191 191 ALA CB C 13 18.683 0.006 . 1 . . . . . 215 ALA CB . 51165 1 771 . 1 . 1 191 191 ALA N N 15 118.805 0.018 . 1 . . . . . 215 ALA N . 51165 1 772 . 1 . 1 192 192 GLU H H 1 7.696 0.003 . 1 . . . . . 216 GLU H . 51165 1 773 . 1 . 1 192 192 GLU C C 13 177.633 0.000 . 1 . . . . . 216 GLU C . 51165 1 774 . 1 . 1 192 192 GLU CB C 13 30.958 0.000 . 1 . . . . . 216 GLU CB . 51165 1 775 . 1 . 1 192 192 GLU N N 15 117.970 0.010 . 1 . . . . . 216 GLU N . 51165 1 776 . 1 . 1 194 194 PRO C C 13 179.327 0.011 . 1 . . . . . 218 PRO C . 51165 1 777 . 1 . 1 194 194 PRO CA C 13 66.819 0.010 . 1 . . . . . 218 PRO CA . 51165 1 778 . 1 . 1 194 194 PRO CB C 13 31.282 0.016 . 1 . . . . . 218 PRO CB . 51165 1 779 . 1 . 1 195 195 THR H H 1 7.503 0.001 . 1 . . . . . 219 THR H . 51165 1 780 . 1 . 1 195 195 THR C C 13 176.657 0.007 . 1 . . . . . 219 THR C . 51165 1 781 . 1 . 1 195 195 THR CA C 13 66.212 0.020 . 1 . . . . . 219 THR CA . 51165 1 782 . 1 . 1 195 195 THR CB C 13 68.277 0.035 . 1 . . . . . 219 THR CB . 51165 1 783 . 1 . 1 195 195 THR N N 15 117.741 0.005 . 1 . . . . . 219 THR N . 51165 1 784 . 1 . 1 196 196 SER H H 1 8.940 0.003 . 1 . . . . . 220 SER H . 51165 1 785 . 1 . 1 196 196 SER C C 13 176.643 0.000 . 1 . . . . . 220 SER C . 51165 1 786 . 1 . 1 196 196 SER CA C 13 62.074 0.043 . 1 . . . . . 220 SER CA . 51165 1 787 . 1 . 1 196 196 SER N N 15 122.422 0.013 . 1 . . . . . 220 SER N . 51165 1 788 . 1 . 1 197 197 ILE H H 1 8.319 0.001 . 1 . . . . . 221 ILE H . 51165 1 789 . 1 . 1 197 197 ILE C C 13 177.884 0.006 . 1 . . . . . 221 ILE C . 51165 1 790 . 1 . 1 197 197 ILE CA C 13 64.740 0.028 . 1 . . . . . 221 ILE CA . 51165 1 791 . 1 . 1 197 197 ILE CB C 13 35.808 0.011 . 1 . . . . . 221 ILE CB . 51165 1 792 . 1 . 1 197 197 ILE N N 15 120.517 0.007 . 1 . . . . . 221 ILE N . 51165 1 793 . 1 . 1 198 198 GLU H H 1 7.941 0.003 . 1 . . . . . 222 GLU H . 51165 1 794 . 1 . 1 198 198 GLU C C 13 179.299 0.001 . 1 . . . . . 222 GLU C . 51165 1 795 . 1 . 1 198 198 GLU CA C 13 59.867 0.020 . 1 . . . . . 222 GLU CA . 51165 1 796 . 1 . 1 198 198 GLU CB C 13 29.047 0.018 . 1 . . . . . 222 GLU CB . 51165 1 797 . 1 . 1 198 198 GLU N N 15 122.144 0.038 . 1 . . . . . 222 GLU N . 51165 1 798 . 1 . 1 199 199 ARG H H 1 8.224 0.001 . 1 . . . . . 223 ARG H . 51165 1 799 . 1 . 1 199 199 ARG C C 13 179.996 0.010 . 1 . . . . . 223 ARG C . 51165 1 800 . 1 . 1 199 199 ARG CA C 13 60.760 0.011 . 1 . . . . . 223 ARG CA . 51165 1 801 . 1 . 1 199 199 ARG CB C 13 29.900 0.042 . 1 . . . . . 223 ARG CB . 51165 1 802 . 1 . 1 199 199 ARG N N 15 117.966 0.019 . 1 . . . . . 223 ARG N . 51165 1 803 . 1 . 1 200 200 ILE H H 1 7.873 0.002 . 1 . . . . . 224 ILE H . 51165 1 804 . 1 . 1 200 200 ILE C C 13 176.874 0.014 . 1 . . . . . 224 ILE C . 51165 1 805 . 1 . 1 200 200 ILE CA C 13 66.401 0.031 . 1 . . . . . 224 ILE CA . 51165 1 806 . 1 . 1 200 200 ILE CB C 13 38.204 0.023 . 1 . . . . . 224 ILE CB . 51165 1 807 . 1 . 1 200 200 ILE N N 15 119.063 0.011 . 1 . . . . . 224 ILE N . 51165 1 808 . 1 . 1 201 201 GLN H H 1 8.355 0.001 . 1 . . . . . 225 GLN H . 51165 1 809 . 1 . 1 201 201 GLN C C 13 177.760 0.004 . 1 . . . . . 225 GLN C . 51165 1 810 . 1 . 1 201 201 GLN CA C 13 59.110 0.020 . 1 . . . . . 225 GLN CA . 51165 1 811 . 1 . 1 201 201 GLN CB C 13 28.502 0.012 . 1 . . . . . 225 GLN CB . 51165 1 812 . 1 . 1 201 201 GLN N N 15 119.106 0.011 . 1 . . . . . 225 GLN N . 51165 1 813 . 1 . 1 202 202 GLN H H 1 8.119 0.001 . 1 . . . . . 226 GLN H . 51165 1 814 . 1 . 1 202 202 GLN C C 13 177.455 0.004 . 1 . . . . . 226 GLN C . 51165 1 815 . 1 . 1 202 202 GLN CA C 13 57.617 0.014 . 1 . . . . . 226 GLN CA . 51165 1 816 . 1 . 1 202 202 GLN CB C 13 28.684 0.027 . 1 . . . . . 226 GLN CB . 51165 1 817 . 1 . 1 202 202 GLN N N 15 113.819 0.017 . 1 . . . . . 226 GLN N . 51165 1 818 . 1 . 1 203 203 HIS H H 1 7.591 0.001 . 1 . . . . . 227 HIS H . 51165 1 819 . 1 . 1 203 203 HIS C C 13 174.377 0.008 . 1 . . . . . 227 HIS C . 51165 1 820 . 1 . 1 203 203 HIS CA C 13 57.635 0.018 . 1 . . . . . 227 HIS CA . 51165 1 821 . 1 . 1 203 203 HIS CB C 13 29.377 0.017 . 1 . . . . . 227 HIS CB . 51165 1 822 . 1 . 1 203 203 HIS N N 15 117.052 0.019 . 1 . . . . . 227 HIS N . 51165 1 823 . 1 . 1 204 204 TYR H H 1 7.550 0.001 . 1 . . . . . 228 TYR H . 51165 1 824 . 1 . 1 204 204 TYR C C 13 173.198 0.000 . 1 . . . . . 228 TYR C . 51165 1 825 . 1 . 1 204 204 TYR CA C 13 55.300 0.028 . 1 . . . . . 228 TYR CA . 51165 1 826 . 1 . 1 204 204 TYR CB C 13 37.989 0.000 . 1 . . . . . 228 TYR CB . 51165 1 827 . 1 . 1 204 204 TYR N N 15 115.207 0.014 . 1 . . . . . 228 TYR N . 51165 1 828 . 1 . 1 205 205 PRO C C 13 177.985 0.005 . 1 . . . . . 229 PRO C . 51165 1 829 . 1 . 1 205 205 PRO CA C 13 64.653 0.025 . 1 . . . . . 229 PRO CA . 51165 1 830 . 1 . 1 205 205 PRO CB C 13 32.055 0.000 . 1 . . . . . 229 PRO CB . 51165 1 831 . 1 . 1 206 206 GLU H H 1 8.397 0.001 . 1 . . . . . 230 GLU H . 51165 1 832 . 1 . 1 206 206 GLU C C 13 176.141 0.006 . 1 . . . . . 230 GLU C . 51165 1 833 . 1 . 1 206 206 GLU CA C 13 55.113 0.040 . 1 . . . . . 230 GLU CA . 51165 1 834 . 1 . 1 206 206 GLU CB C 13 29.510 0.011 . 1 . . . . . 230 GLU CB . 51165 1 835 . 1 . 1 206 206 GLU N N 15 117.049 0.012 . 1 . . . . . 230 GLU N . 51165 1 836 . 1 . 1 207 207 ALA H H 1 7.134 0.002 . 1 . . . . . 231 ALA H . 51165 1 837 . 1 . 1 207 207 ALA C C 13 176.641 0.005 . 1 . . . . . 231 ALA C . 51165 1 838 . 1 . 1 207 207 ALA CA C 13 53.781 0.023 . 1 . . . . . 231 ALA CA . 51165 1 839 . 1 . 1 207 207 ALA CB C 13 19.268 0.001 . 1 . . . . . 231 ALA CB . 51165 1 840 . 1 . 1 207 207 ALA N N 15 122.025 0.019 . 1 . . . . . 231 ALA N . 51165 1 841 . 1 . 1 208 208 GLN H H 1 8.728 0.002 . 1 . . . . . 232 GLN H . 51165 1 842 . 1 . 1 208 208 GLN C C 13 175.258 0.011 . 1 . . . . . 232 GLN C . 51165 1 843 . 1 . 1 208 208 GLN CA C 13 56.277 0.035 . 1 . . . . . 232 GLN CA . 51165 1 844 . 1 . 1 208 208 GLN CB C 13 31.121 0.017 . 1 . . . . . 232 GLN CB . 51165 1 845 . 1 . 1 208 208 GLN N N 15 120.485 0.007 . 1 . . . . . 232 GLN N . 51165 1 846 . 1 . 1 209 209 PHE H H 1 7.634 0.001 . 1 . . . . . 233 PHE H . 51165 1 847 . 1 . 1 209 209 PHE C C 13 174.042 0.008 . 1 . . . . . 233 PHE C . 51165 1 848 . 1 . 1 209 209 PHE CA C 13 56.708 0.022 . 1 . . . . . 233 PHE CA . 51165 1 849 . 1 . 1 209 209 PHE CB C 13 42.831 0.003 . 1 . . . . . 233 PHE CB . 51165 1 850 . 1 . 1 209 209 PHE N N 15 117.836 0.020 . 1 . . . . . 233 PHE N . 51165 1 851 . 1 . 1 210 210 VAL H H 1 9.187 0.001 . 1 . . . . . 234 VAL H . 51165 1 852 . 1 . 1 210 210 VAL C C 13 174.128 0.000 . 1 . . . . . 234 VAL C . 51165 1 853 . 1 . 1 210 210 VAL CA C 13 60.709 0.012 . 1 . . . . . 234 VAL CA . 51165 1 854 . 1 . 1 210 210 VAL CB C 13 32.981 0.014 . 1 . . . . . 234 VAL CB . 51165 1 855 . 1 . 1 210 210 VAL N N 15 125.307 0.006 . 1 . . . . . 234 VAL N . 51165 1 856 . 1 . 1 211 211 ILE H H 1 9.147 0.003 . 1 . . . . . 235 ILE H . 51165 1 857 . 1 . 1 211 211 ILE C C 13 174.118 0.000 . 1 . . . . . 235 ILE C . 51165 1 858 . 1 . 1 211 211 ILE CA C 13 56.374 0.030 . 1 . . . . . 235 ILE CA . 51165 1 859 . 1 . 1 211 211 ILE CB C 13 40.106 0.000 . 1 . . . . . 235 ILE CB . 51165 1 860 . 1 . 1 211 211 ILE N N 15 126.551 0.013 . 1 . . . . . 235 ILE N . 51165 1 861 . 1 . 1 212 212 PRO C C 13 175.498 0.020 . 1 . . . . . 236 PRO C . 51165 1 862 . 1 . 1 212 212 PRO CA C 13 61.918 0.036 . 1 . . . . . 236 PRO CA . 51165 1 863 . 1 . 1 212 212 PRO CB C 13 33.854 0.046 . 1 . . . . . 236 PRO CB . 51165 1 864 . 1 . 1 213 213 GLY H H 1 7.423 0.003 . 1 . . . . . 237 GLY H . 51165 1 865 . 1 . 1 213 213 GLY C C 13 171.820 0.020 . 1 . . . . . 237 GLY C . 51165 1 866 . 1 . 1 213 213 GLY CA C 13 47.286 0.037 . 1 . . . . . 237 GLY CA . 51165 1 867 . 1 . 1 213 213 GLY N N 15 108.410 0.016 . 1 . . . . . 237 GLY N . 51165 1 868 . 1 . 1 214 214 HIS H H 1 7.554 0.004 . 1 . . . . . 238 HIS H . 51165 1 869 . 1 . 1 214 214 HIS C C 13 173.992 0.007 . 1 . . . . . 238 HIS C . 51165 1 870 . 1 . 1 214 214 HIS CA C 13 55.466 0.043 . 1 . . . . . 238 HIS CA . 51165 1 871 . 1 . 1 214 214 HIS CB C 13 31.278 0.010 . 1 . . . . . 238 HIS CB . 51165 1 872 . 1 . 1 214 214 HIS N N 15 114.556 0.050 . 1 . . . . . 238 HIS N . 51165 1 873 . 1 . 1 215 215 GLY H H 1 9.142 0.003 . 1 . . . . . 239 GLY H . 51165 1 874 . 1 . 1 215 215 GLY C C 13 173.904 0.018 . 1 . . . . . 239 GLY C . 51165 1 875 . 1 . 1 215 215 GLY CA C 13 44.783 0.017 . 1 . . . . . 239 GLY CA . 51165 1 876 . 1 . 1 215 215 GLY N N 15 111.919 0.047 . 1 . . . . . 239 GLY N . 51165 1 877 . 1 . 1 216 216 LEU H H 1 7.764 0.002 . 1 . . . . . 240 LEU H . 51165 1 878 . 1 . 1 216 216 LEU C C 13 175.516 0.000 . 1 . . . . . 240 LEU C . 51165 1 879 . 1 . 1 216 216 LEU CA C 13 53.670 0.019 . 1 . . . . . 240 LEU CA . 51165 1 880 . 1 . 1 216 216 LEU CB C 13 42.399 0.000 . 1 . . . . . 240 LEU CB . 51165 1 881 . 1 . 1 216 216 LEU N N 15 119.060 0.022 . 1 . . . . . 240 LEU N . 51165 1 882 . 1 . 1 217 217 PRO C C 13 176.207 0.004 . 1 . . . . . 241 PRO C . 51165 1 883 . 1 . 1 217 217 PRO CA C 13 62.134 0.020 . 1 . . . . . 241 PRO CA . 51165 1 884 . 1 . 1 217 217 PRO CB C 13 33.511 0.015 . 1 . . . . . 241 PRO CB . 51165 1 885 . 1 . 1 218 218 GLY H H 1 8.476 0.001 . 1 . . . . . 242 GLY H . 51165 1 886 . 1 . 1 218 218 GLY C C 13 172.488 0.003 . 1 . . . . . 242 GLY C . 51165 1 887 . 1 . 1 218 218 GLY CA C 13 46.441 0.023 . 1 . . . . . 242 GLY CA . 51165 1 888 . 1 . 1 218 218 GLY N N 15 109.011 0.012 . 1 . . . . . 242 GLY N . 51165 1 889 . 1 . 1 219 219 GLY H H 1 8.450 0.002 . 1 . . . . . 243 GLY H . 51165 1 890 . 1 . 1 219 219 GLY C C 13 174.915 0.007 . 1 . . . . . 243 GLY C . 51165 1 891 . 1 . 1 219 219 GLY CA C 13 44.085 0.016 . 1 . . . . . 243 GLY CA . 51165 1 892 . 1 . 1 219 219 GLY N N 15 114.824 0.007 . 1 . . . . . 243 GLY N . 51165 1 893 . 1 . 1 220 220 LEU H H 1 8.818 0.001 . 1 . . . . . 244 LEU H . 51165 1 894 . 1 . 1 220 220 LEU C C 13 179.274 0.011 . 1 . . . . . 244 LEU C . 51165 1 895 . 1 . 1 220 220 LEU CA C 13 57.752 0.011 . 1 . . . . . 244 LEU CA . 51165 1 896 . 1 . 1 220 220 LEU CB C 13 41.957 0.025 . 1 . . . . . 244 LEU CB . 51165 1 897 . 1 . 1 220 220 LEU N N 15 120.821 0.027 . 1 . . . . . 244 LEU N . 51165 1 898 . 1 . 1 221 221 ASP H H 1 9.514 0.003 . 1 . . . . . 245 ASP H . 51165 1 899 . 1 . 1 221 221 ASP C C 13 178.506 0.014 . 1 . . . . . 245 ASP C . 51165 1 900 . 1 . 1 221 221 ASP CA C 13 56.639 0.020 . 1 . . . . . 245 ASP CA . 51165 1 901 . 1 . 1 221 221 ASP CB C 13 38.595 0.010 . 1 . . . . . 245 ASP CB . 51165 1 902 . 1 . 1 221 221 ASP N N 15 120.278 0.013 . 1 . . . . . 245 ASP N . 51165 1 903 . 1 . 1 222 222 LEU H H 1 8.340 0.002 . 1 . . . . . 246 LEU H . 51165 1 904 . 1 . 1 222 222 LEU C C 13 180.419 0.008 . 1 . . . . . 246 LEU C . 51165 1 905 . 1 . 1 222 222 LEU CA C 13 59.661 0.016 . 1 . . . . . 246 LEU CA . 51165 1 906 . 1 . 1 222 222 LEU CB C 13 40.890 0.078 . 1 . . . . . 246 LEU CB . 51165 1 907 . 1 . 1 222 222 LEU N N 15 120.747 0.017 . 1 . . . . . 246 LEU N . 51165 1 908 . 1 . 1 223 223 LEU H H 1 8.165 0.002 . 1 . . . . . 247 LEU H . 51165 1 909 . 1 . 1 223 223 LEU C C 13 177.474 0.006 . 1 . . . . . 247 LEU C . 51165 1 910 . 1 . 1 223 223 LEU CA C 13 60.404 0.026 . 1 . . . . . 247 LEU CA . 51165 1 911 . 1 . 1 223 223 LEU CB C 13 39.201 0.032 . 1 . . . . . 247 LEU CB . 51165 1 912 . 1 . 1 223 223 LEU N N 15 122.730 0.013 . 1 . . . . . 247 LEU N . 51165 1 913 . 1 . 1 224 224 LYS H H 1 6.872 0.002 . 1 . . . . . 248 LYS H . 51165 1 914 . 1 . 1 224 224 LYS C C 13 178.245 0.015 . 1 . . . . . 248 LYS C . 51165 1 915 . 1 . 1 224 224 LYS CA C 13 59.006 0.018 . 1 . . . . . 248 LYS CA . 51165 1 916 . 1 . 1 224 224 LYS CB C 13 32.181 0.004 . 1 . . . . . 248 LYS CB . 51165 1 917 . 1 . 1 224 224 LYS N N 15 120.022 0.014 . 1 . . . . . 248 LYS N . 51165 1 918 . 1 . 1 225 225 HIS H H 1 8.172 0.004 . 1 . . . . . 249 HIS H . 51165 1 919 . 1 . 1 225 225 HIS C C 13 176.474 0.010 . 1 . . . . . 249 HIS C . 51165 1 920 . 1 . 1 225 225 HIS CA C 13 59.895 0.032 . 1 . . . . . 249 HIS CA . 51165 1 921 . 1 . 1 225 225 HIS CB C 13 31.732 0.021 . 1 . . . . . 249 HIS CB . 51165 1 922 . 1 . 1 225 225 HIS N N 15 117.661 0.031 . 1 . . . . . 249 HIS N . 51165 1 923 . 1 . 1 226 226 THR H H 1 7.905 0.003 . 1 . . . . . 250 THR H . 51165 1 924 . 1 . 1 226 226 THR C C 13 175.057 0.000 . 1 . . . . . 250 THR C . 51165 1 925 . 1 . 1 226 226 THR CA C 13 68.588 0.006 . 1 . . . . . 250 THR CA . 51165 1 926 . 1 . 1 226 226 THR CB C 13 69.224 0.000 . 1 . . . . . 250 THR CB . 51165 1 927 . 1 . 1 226 226 THR N N 15 114.015 0.019 . 1 . . . . . 250 THR N . 51165 1 928 . 1 . 1 227 227 THR H H 1 7.662 0.002 . 1 . . . . . 251 THR H . 51165 1 929 . 1 . 1 227 227 THR C C 13 174.809 0.000 . 1 . . . . . 251 THR C . 51165 1 930 . 1 . 1 227 227 THR CA C 13 68.001 0.079 . 1 . . . . . 251 THR CA . 51165 1 931 . 1 . 1 227 227 THR N N 15 116.374 0.014 . 1 . . . . . 251 THR N . 51165 1 932 . 1 . 1 228 228 ASN H H 1 7.796 0.001 . 1 . . . . . 252 ASN H . 51165 1 933 . 1 . 1 228 228 ASN C C 13 178.208 0.038 . 1 . . . . . 252 ASN C . 51165 1 934 . 1 . 1 228 228 ASN CA C 13 56.071 0.053 . 1 . . . . . 252 ASN CA . 51165 1 935 . 1 . 1 228 228 ASN CB C 13 37.645 0.027 . 1 . . . . . 252 ASN CB . 51165 1 936 . 1 . 1 228 228 ASN N N 15 119.434 0.050 . 1 . . . . . 252 ASN N . 51165 1 937 . 1 . 1 229 229 VAL H H 1 7.925 0.002 . 1 . . . . . 253 VAL H . 51165 1 938 . 1 . 1 229 229 VAL C C 13 178.806 0.006 . 1 . . . . . 253 VAL C . 51165 1 939 . 1 . 1 229 229 VAL CA C 13 66.619 0.039 . 1 . . . . . 253 VAL CA . 51165 1 940 . 1 . 1 229 229 VAL CB C 13 32.021 0.014 . 1 . . . . . 253 VAL CB . 51165 1 941 . 1 . 1 229 229 VAL N N 15 121.100 0.024 . 1 . . . . . 253 VAL N . 51165 1 942 . 1 . 1 230 230 VAL H H 1 8.069 0.001 . 1 . . . . . 254 VAL H . 51165 1 943 . 1 . 1 230 230 VAL C C 13 178.952 0.004 . 1 . . . . . 254 VAL C . 51165 1 944 . 1 . 1 230 230 VAL CA C 13 66.841 0.082 . 1 . . . . . 254 VAL CA . 51165 1 945 . 1 . 1 230 230 VAL CB C 13 31.368 0.033 . 1 . . . . . 254 VAL CB . 51165 1 946 . 1 . 1 230 230 VAL N N 15 118.885 0.024 . 1 . . . . . 254 VAL N . 51165 1 947 . 1 . 1 231 231 LYS H H 1 8.388 0.003 . 1 . . . . . 255 LYS H . 51165 1 948 . 1 . 1 231 231 LYS C C 13 178.659 0.002 . 1 . . . . . 255 LYS C . 51165 1 949 . 1 . 1 231 231 LYS CA C 13 59.675 0.040 . 1 . . . . . 255 LYS CA . 51165 1 950 . 1 . 1 231 231 LYS CB C 13 32.265 0.038 . 1 . . . . . 255 LYS CB . 51165 1 951 . 1 . 1 231 231 LYS N N 15 119.516 0.059 . 1 . . . . . 255 LYS N . 51165 1 952 . 1 . 1 232 232 ALA H H 1 7.679 0.002 . 1 . . . . . 256 ALA H . 51165 1 953 . 1 . 1 232 232 ALA C C 13 179.093 0.014 . 1 . . . . . 256 ALA C . 51165 1 954 . 1 . 1 232 232 ALA CA C 13 53.864 0.028 . 1 . . . . . 256 ALA CA . 51165 1 955 . 1 . 1 232 232 ALA CB C 13 18.271 0.021 . 1 . . . . . 256 ALA CB . 51165 1 956 . 1 . 1 232 232 ALA N N 15 120.598 0.022 . 1 . . . . . 256 ALA N . 51165 1 957 . 1 . 1 233 233 HIS H H 1 7.772 0.003 . 1 . . . . . 257 HIS H . 51165 1 958 . 1 . 1 233 233 HIS C C 13 176.718 0.019 . 1 . . . . . 257 HIS C . 51165 1 959 . 1 . 1 233 233 HIS CA C 13 59.132 0.025 . 1 . . . . . 257 HIS CA . 51165 1 960 . 1 . 1 233 233 HIS CB C 13 31.116 0.005 . 1 . . . . . 257 HIS CB . 51165 1 961 . 1 . 1 233 233 HIS N N 15 118.373 0.021 . 1 . . . . . 257 HIS N . 51165 1 962 . 1 . 1 234 234 THR H H 1 7.736 0.003 . 1 . . . . . 258 THR H . 51165 1 963 . 1 . 1 234 234 THR C C 13 174.615 0.001 . 1 . . . . . 258 THR C . 51165 1 964 . 1 . 1 234 234 THR CA C 13 63.140 0.033 . 1 . . . . . 258 THR CA . 51165 1 965 . 1 . 1 234 234 THR CB C 13 69.583 0.032 . 1 . . . . . 258 THR CB . 51165 1 966 . 1 . 1 234 234 THR N N 15 112.339 0.021 . 1 . . . . . 258 THR N . 51165 1 967 . 1 . 1 235 235 ASN H H 1 8.102 0.004 . 1 . . . . . 259 ASN H . 51165 1 968 . 1 . 1 235 235 ASN C C 13 175.140 0.004 . 1 . . . . . 259 ASN C . 51165 1 969 . 1 . 1 235 235 ASN CA C 13 53.596 0.028 . 1 . . . . . 259 ASN CA . 51165 1 970 . 1 . 1 235 235 ASN CB C 13 38.789 0.041 . 1 . . . . . 259 ASN CB . 51165 1 971 . 1 . 1 235 235 ASN N N 15 120.478 0.014 . 1 . . . . . 259 ASN N . 51165 1 972 . 1 . 1 236 236 ARG H H 1 7.985 0.002 . 1 . . . . . 260 ARG H . 51165 1 973 . 1 . 1 236 236 ARG C C 13 176.251 0.012 . 1 . . . . . 260 ARG C . 51165 1 974 . 1 . 1 236 236 ARG CA C 13 56.427 0.050 . 1 . . . . . 260 ARG CA . 51165 1 975 . 1 . 1 236 236 ARG CB C 13 30.659 0.067 . 1 . . . . . 260 ARG CB . 51165 1 976 . 1 . 1 236 236 ARG N N 15 120.778 0.012 . 1 . . . . . 260 ARG N . 51165 1 977 . 1 . 1 237 237 SER H H 1 8.271 0.004 . 1 . . . . . 261 SER H . 51165 1 978 . 1 . 1 237 237 SER C C 13 174.306 0.027 . 1 . . . . . 261 SER C . 51165 1 979 . 1 . 1 237 237 SER CA C 13 58.489 0.039 . 1 . . . . . 261 SER CA . 51165 1 980 . 1 . 1 237 237 SER CB C 13 63.841 0.007 . 1 . . . . . 261 SER CB . 51165 1 981 . 1 . 1 237 237 SER N N 15 116.737 0.020 . 1 . . . . . 261 SER N . 51165 1 982 . 1 . 1 238 238 VAL H H 1 8.036 0.001 . 1 . . . . . 262 VAL H . 51165 1 983 . 1 . 1 238 238 VAL C C 13 175.873 0.004 . 1 . . . . . 262 VAL C . 51165 1 984 . 1 . 1 238 238 VAL CA C 13 62.307 0.016 . 1 . . . . . 262 VAL CA . 51165 1 985 . 1 . 1 238 238 VAL CB C 13 32.902 0.001 . 1 . . . . . 262 VAL CB . 51165 1 986 . 1 . 1 238 238 VAL N N 15 121.492 0.019 . 1 . . . . . 262 VAL N . 51165 1 987 . 1 . 1 239 239 VAL H H 1 8.147 0.001 . 1 . . . . . 263 VAL H . 51165 1 988 . 1 . 1 239 239 VAL C C 13 175.126 0.003 . 1 . . . . . 263 VAL C . 51165 1 989 . 1 . 1 239 239 VAL CA C 13 62.315 0.010 . 1 . . . . . 263 VAL CA . 51165 1 990 . 1 . 1 239 239 VAL CB C 13 32.889 0.015 . 1 . . . . . 263 VAL CB . 51165 1 991 . 1 . 1 239 239 VAL N N 15 123.918 0.005 . 1 . . . . . 263 VAL N . 51165 1 992 . 1 . 1 240 240 GLU H H 1 7.946 0.001 . 1 . . . . . 264 GLU H . 51165 1 993 . 1 . 1 240 240 GLU C C 13 180.863 0.000 . 1 . . . . . 264 GLU C . 51165 1 994 . 1 . 1 240 240 GLU CA C 13 58.058 0.000 . 1 . . . . . 264 GLU CA . 51165 1 995 . 1 . 1 240 240 GLU CB C 13 31.452 0.000 . 1 . . . . . 264 GLU CB . 51165 1 996 . 1 . 1 240 240 GLU N N 15 129.941 0.005 . 1 . . . . . 264 GLU N . 51165 1 stop_ save_ save_assigned_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 51165 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name Assignment_VIM-2_EtOH _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 8 '2D 1H-15N HSQC' . . . 51165 2 9 '3D HNCO' . . . 51165 2 10 '3D HN(CA)CO' . . . 51165 2 11 '3D HNCA' . . . 51165 2 12 '3D HNCACB' . . . 51165 2 13 '3D HN(CO)CACB' . . . 51165 2 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51165 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 VAL CA C 13 62.633 0.033 . 1 . . . . . 25 VAL CA . 51165 2 2 . 1 . 1 1 1 VAL CB C 13 32.574 0.009 . 1 . . . . . 25 VAL CB . 51165 2 3 . 1 . 1 2 2 ASP H H 1 8.533 0.001 . 1 . . . . . 26 ASP H . 51165 2 4 . 1 . 1 2 2 ASP C C 13 176.282 0.001 . 1 . . . . . 26 ASP C . 51165 2 5 . 1 . 1 2 2 ASP CA C 13 54.591 0.032 . 1 . . . . . 26 ASP CA . 51165 2 6 . 1 . 1 2 2 ASP CB C 13 41.310 0.012 . 1 . . . . . 26 ASP CB . 51165 2 7 . 1 . 1 2 2 ASP N N 15 123.054 0.010 . 1 . . . . . 26 ASP N . 51165 2 8 . 1 . 1 3 3 SER H H 1 8.231 0.001 . 1 . . . . . 27 SER H . 51165 2 9 . 1 . 1 3 3 SER C C 13 174.897 0.000 . 1 . . . . . 27 SER C . 51165 2 10 . 1 . 1 3 3 SER CA C 13 58.562 0.004 . 1 . . . . . 27 SER CA . 51165 2 11 . 1 . 1 3 3 SER CB C 13 63.939 0.012 . 1 . . . . . 27 SER CB . 51165 2 12 . 1 . 1 3 3 SER N N 15 116.016 0.009 . 1 . . . . . 27 SER N . 51165 2 13 . 1 . 1 4 4 SER H H 1 8.505 0.004 . 1 . . . . . 28 SER H . 51165 2 14 . 1 . 1 4 4 SER C C 13 175.060 0.003 . 1 . . . . . 28 SER C . 51165 2 15 . 1 . 1 4 4 SER CA C 13 59.198 0.074 . 1 . . . . . 28 SER CA . 51165 2 16 . 1 . 1 4 4 SER CB C 13 63.958 0.020 . 1 . . . . . 28 SER CB . 51165 2 17 . 1 . 1 4 4 SER N N 15 118.089 0.026 . 1 . . . . . 28 SER N . 51165 2 18 . 1 . 1 5 5 GLY H H 1 8.420 0.002 . 1 . . . . . 29 GLY H . 51165 2 19 . 1 . 1 5 5 GLY C C 13 174.161 0.000 . 1 . . . . . 29 GLY C . 51165 2 20 . 1 . 1 5 5 GLY CA C 13 45.285 0.005 . 1 . . . . . 29 GLY CA . 51165 2 21 . 1 . 1 5 5 GLY N N 15 110.313 0.027 . 1 . . . . . 29 GLY N . 51165 2 22 . 1 . 1 6 6 GLU H H 1 8.426 0.004 . 1 . . . . . 30 GLU H . 51165 2 23 . 1 . 1 6 6 GLU C C 13 175.787 0.001 . 1 . . . . . 30 GLU C . 51165 2 24 . 1 . 1 6 6 GLU CA C 13 55.916 0.041 . 1 . . . . . 30 GLU CA . 51165 2 25 . 1 . 1 6 6 GLU CB C 13 30.711 0.016 . 1 . . . . . 30 GLU CB . 51165 2 26 . 1 . 1 6 6 GLU N N 15 120.951 0.009 . 1 . . . . . 30 GLU N . 51165 2 27 . 1 . 1 7 7 TYR H H 1 8.594 0.003 . 1 . . . . . 31 TYR H . 51165 2 28 . 1 . 1 7 7 TYR C C 13 174.528 0.000 . 1 . . . . . 31 TYR C . 51165 2 29 . 1 . 1 7 7 TYR CA C 13 57.685 0.056 . 1 . . . . . 31 TYR CA . 51165 2 30 . 1 . 1 7 7 TYR CB C 13 39.439 0.000 . 1 . . . . . 31 TYR CB . 51165 2 31 . 1 . 1 7 7 TYR N N 15 127.447 0.024 . 1 . . . . . 31 TYR N . 51165 2 32 . 1 . 1 8 8 PRO C C 13 174.604 0.000 . 1 . . . . . 32 PRO C . 51165 2 33 . 1 . 1 8 8 PRO CA C 13 63.440 0.000 . 1 . . . . . 32 PRO CA . 51165 2 34 . 1 . 1 9 9 THR H H 1 7.859 0.004 . 1 . . . . . 33 THR H . 51165 2 35 . 1 . 1 9 9 THR CA C 13 59.845 0.000 . 1 . . . . . 33 THR CA . 51165 2 36 . 1 . 1 9 9 THR N N 15 110.706 0.030 . 1 . . . . . 33 THR N . 51165 2 37 . 1 . 1 10 10 VAL H H 1 8.505 0.002 . 1 . . . . . 34 VAL H . 51165 2 38 . 1 . 1 10 10 VAL C C 13 179.014 0.000 . 1 . . . . . 34 VAL C . 51165 2 39 . 1 . 1 10 10 VAL CA C 13 65.109 0.000 . 1 . . . . . 34 VAL CA . 51165 2 40 . 1 . 1 10 10 VAL N N 15 116.962 0.007 . 1 . . . . . 34 VAL N . 51165 2 41 . 1 . 1 11 11 SER H H 1 8.204 0.002 . 1 . . . . . 35 SER H . 51165 2 42 . 1 . 1 11 11 SER N N 15 110.946 0.008 . 1 . . . . . 35 SER N . 51165 2 43 . 1 . 1 12 12 GLU H H 1 7.692 0.003 . 1 . . . . . 36 GLU H . 51165 2 44 . 1 . 1 12 12 GLU C C 13 175.513 0.012 . 1 . . . . . 36 GLU C . 51165 2 45 . 1 . 1 12 12 GLU CA C 13 56.275 0.074 . 1 . . . . . 36 GLU CA . 51165 2 46 . 1 . 1 12 12 GLU CB C 13 31.282 0.000 . 1 . . . . . 36 GLU CB . 51165 2 47 . 1 . 1 12 12 GLU N N 15 118.203 0.057 . 1 . . . . . 36 GLU N . 51165 2 48 . 1 . 1 13 13 ILE H H 1 7.015 0.006 . 1 . . . . . 37 ILE H . 51165 2 49 . 1 . 1 13 13 ILE C C 13 172.810 0.000 . 1 . . . . . 37 ILE C . 51165 2 50 . 1 . 1 13 13 ILE CA C 13 58.966 0.005 . 1 . . . . . 37 ILE CA . 51165 2 51 . 1 . 1 13 13 ILE N N 15 119.836 0.037 . 1 . . . . . 37 ILE N . 51165 2 52 . 1 . 1 17 17 GLU H H 1 7.989 0.004 . 1 . . . . . 41 GLU H . 51165 2 53 . 1 . 1 17 17 GLU CA C 13 55.248 0.000 . 1 . . . . . 41 GLU CA . 51165 2 54 . 1 . 1 17 17 GLU N N 15 119.112 0.004 . 1 . . . . . 41 GLU N . 51165 2 55 . 1 . 1 18 18 VAL H H 1 8.263 0.010 . 1 . . . . . 42 VAL H . 51165 2 56 . 1 . 1 18 18 VAL CA C 13 60.173 0.002 . 1 . . . . . 42 VAL CA . 51165 2 57 . 1 . 1 18 18 VAL N N 15 115.879 0.013 . 1 . . . . . 42 VAL N . 51165 2 58 . 1 . 1 19 19 ARG H H 1 9.071 0.000 . 1 . . . . . 43 ARG H . 51165 2 59 . 1 . 1 19 19 ARG N N 15 121.977 0.030 . 1 . . . . . 43 ARG N . 51165 2 60 . 1 . 1 21 21 TYR H H 1 9.064 0.003 . 1 . . . . . 45 TYR H . 51165 2 61 . 1 . 1 21 21 TYR C C 13 174.273 0.000 . 1 . . . . . 45 TYR C . 51165 2 62 . 1 . 1 21 21 TYR CA C 13 57.180 0.000 . 1 . . . . . 45 TYR CA . 51165 2 63 . 1 . 1 21 21 TYR N N 15 123.346 0.026 . 1 . . . . . 45 TYR N . 51165 2 64 . 1 . 1 22 22 GLN H H 1 8.723 0.002 . 1 . . . . . 46 GLN H . 51165 2 65 . 1 . 1 22 22 GLN C C 13 173.732 0.000 . 1 . . . . . 46 GLN C . 51165 2 66 . 1 . 1 22 22 GLN CA C 13 57.357 0.150 . 1 . . . . . 46 GLN CA . 51165 2 67 . 1 . 1 22 22 GLN N N 15 129.363 0.007 . 1 . . . . . 46 GLN N . 51165 2 68 . 1 . 1 23 23 ILE H H 1 8.511 0.005 . 1 . . . . . 47 ILE H . 51165 2 69 . 1 . 1 23 23 ILE N N 15 129.512 0.002 . 1 . . . . . 47 ILE N . 51165 2 70 . 1 . 1 24 24 ALA H H 1 7.963 0.005 . 1 . . . . . 48 ALA H . 51165 2 71 . 1 . 1 24 24 ALA C C 13 175.608 0.003 . 1 . . . . . 48 ALA C . 51165 2 72 . 1 . 1 24 24 ALA CA C 13 49.987 0.006 . 1 . . . . . 48 ALA CA . 51165 2 73 . 1 . 1 24 24 ALA CB C 13 21.818 0.041 . 1 . . . . . 48 ALA CB . 51165 2 74 . 1 . 1 24 24 ALA N N 15 119.256 0.008 . 1 . . . . . 48 ALA N . 51165 2 75 . 1 . 1 25 25 ASP H H 1 8.480 0.003 . 1 . . . . . 49 ASP H . 51165 2 76 . 1 . 1 25 25 ASP CA C 13 56.316 0.000 . 1 . . . . . 49 ASP CA . 51165 2 77 . 1 . 1 25 25 ASP CB C 13 40.429 0.036 . 1 . . . . . 49 ASP CB . 51165 2 78 . 1 . 1 25 25 ASP N N 15 119.971 0.017 . 1 . . . . . 49 ASP N . 51165 2 79 . 1 . 1 26 26 GLY H H 1 8.186 0.005 . 1 . . . . . 50 GLY H . 51165 2 80 . 1 . 1 26 26 GLY C C 13 172.915 0.000 . 1 . . . . . 50 GLY C . 51165 2 81 . 1 . 1 26 26 GLY CA C 13 46.603 0.026 . 1 . . . . . 50 GLY CA . 51165 2 82 . 1 . 1 26 26 GLY N N 15 112.894 0.018 . 1 . . . . . 50 GLY N . 51165 2 83 . 1 . 1 27 27 VAL H H 1 7.254 0.005 . 1 . . . . . 51 VAL H . 51165 2 84 . 1 . 1 27 27 VAL C C 13 173.449 0.010 . 1 . . . . . 51 VAL C . 51165 2 85 . 1 . 1 27 27 VAL CA C 13 61.536 0.039 . 1 . . . . . 51 VAL CA . 51165 2 86 . 1 . 1 27 27 VAL CB C 13 34.887 0.000 . 1 . . . . . 51 VAL CB . 51165 2 87 . 1 . 1 27 27 VAL N N 15 117.294 0.026 . 1 . . . . . 51 VAL N . 51165 2 88 . 1 . 1 28 28 TRP H H 1 9.753 0.006 . 1 . . . . . 52 TRP H . 51165 2 89 . 1 . 1 28 28 TRP C C 13 176.109 0.016 . 1 . . . . . 52 TRP C . 51165 2 90 . 1 . 1 28 28 TRP CA C 13 57.176 0.016 . 1 . . . . . 52 TRP CA . 51165 2 91 . 1 . 1 28 28 TRP N N 15 128.500 0.029 . 1 . . . . . 52 TRP N . 51165 2 92 . 1 . 1 29 29 SER H H 1 9.948 0.002 . 1 . . . . . 53 SER H . 51165 2 93 . 1 . 1 29 29 SER C C 13 174.197 0.000 . 1 . . . . . 53 SER C . 51165 2 94 . 1 . 1 29 29 SER CA C 13 56.800 0.000 . 1 . . . . . 53 SER CA . 51165 2 95 . 1 . 1 29 29 SER N N 15 115.468 0.010 . 1 . . . . . 53 SER N . 51165 2 96 . 1 . 1 30 30 HIS H H 1 7.766 0.001 . 1 . . . . . 54 HIS H . 51165 2 97 . 1 . 1 30 30 HIS CA C 13 53.719 0.000 . 1 . . . . . 54 HIS CA . 51165 2 98 . 1 . 1 30 30 HIS N N 15 118.578 0.015 . 1 . . . . . 54 HIS N . 51165 2 99 . 1 . 1 31 31 ILE H H 1 9.120 0.011 . 1 . . . . . 55 ILE H . 51165 2 100 . 1 . 1 31 31 ILE N N 15 121.165 0.030 . 1 . . . . . 55 ILE N . 51165 2 101 . 1 . 1 38 38 GLY H H 1 8.444 0.003 . 1 . . . . . 62 GLY H . 51165 2 102 . 1 . 1 38 38 GLY C C 13 173.318 0.000 . 1 . . . . . 62 GLY C . 51165 2 103 . 1 . 1 38 38 GLY CA C 13 45.559 0.030 . 1 . . . . . 62 GLY CA . 51165 2 104 . 1 . 1 38 38 GLY N N 15 104.000 0.030 . 1 . . . . . 62 GLY N . 51165 2 105 . 1 . 1 39 39 ALA H H 1 7.836 0.005 . 1 . . . . . 63 ALA H . 51165 2 106 . 1 . 1 39 39 ALA C C 13 175.042 0.014 . 1 . . . . . 63 ALA C . 51165 2 107 . 1 . 1 39 39 ALA CA C 13 50.605 0.023 . 1 . . . . . 63 ALA CA . 51165 2 108 . 1 . 1 39 39 ALA CB C 13 21.344 0.078 . 1 . . . . . 63 ALA CB . 51165 2 109 . 1 . 1 39 39 ALA N N 15 124.368 0.017 . 1 . . . . . 63 ALA N . 51165 2 110 . 1 . 1 40 40 VAL H H 1 7.905 0.005 . 1 . . . . . 64 VAL H . 51165 2 111 . 1 . 1 40 40 VAL C C 13 174.772 0.000 . 1 . . . . . 64 VAL C . 51165 2 112 . 1 . 1 40 40 VAL CA C 13 61.721 0.058 . 1 . . . . . 64 VAL CA . 51165 2 113 . 1 . 1 40 40 VAL N N 15 119.954 0.016 . 1 . . . . . 64 VAL N . 51165 2 114 . 1 . 1 45 45 GLY H H 1 7.987 0.007 . 1 . . . . . 69 GLY H . 51165 2 115 . 1 . 1 45 45 GLY N N 15 106.429 0.014 . 1 . . . . . 69 GLY N . 51165 2 116 . 1 . 1 47 47 ILE H H 1 9.563 0.003 . 1 . . . . . 71 ILE H . 51165 2 117 . 1 . 1 47 47 ILE CA C 13 61.075 0.000 . 1 . . . . . 71 ILE CA . 51165 2 118 . 1 . 1 47 47 ILE N N 15 123.193 0.014 . 1 . . . . . 71 ILE N . 51165 2 119 . 1 . 1 48 48 VAL H H 1 9.493 0.002 . 1 . . . . . 72 VAL H . 51165 2 120 . 1 . 1 48 48 VAL C C 13 174.968 0.001 . 1 . . . . . 72 VAL C . 51165 2 121 . 1 . 1 48 48 VAL CA C 13 60.329 0.059 . 1 . . . . . 72 VAL CA . 51165 2 122 . 1 . 1 48 48 VAL N N 15 125.925 0.050 . 1 . . . . . 72 VAL N . 51165 2 123 . 1 . 1 49 49 ARG H H 1 9.371 0.005 . 1 . . . . . 73 ARG H . 51165 2 124 . 1 . 1 49 49 ARG C C 13 173.949 0.022 . 1 . . . . . 73 ARG C . 51165 2 125 . 1 . 1 49 49 ARG CA C 13 57.908 0.059 . 1 . . . . . 73 ARG CA . 51165 2 126 . 1 . 1 49 49 ARG N N 15 128.117 0.013 . 1 . . . . . 73 ARG N . 51165 2 127 . 1 . 1 50 50 ASP H H 1 9.133 0.005 . 1 . . . . . 74 ASP H . 51165 2 128 . 1 . 1 50 50 ASP C C 13 175.512 0.000 . 1 . . . . . 74 ASP C . 51165 2 129 . 1 . 1 50 50 ASP CA C 13 51.977 0.000 . 1 . . . . . 74 ASP CA . 51165 2 130 . 1 . 1 50 50 ASP N N 15 129.178 0.024 . 1 . . . . . 74 ASP N . 51165 2 131 . 1 . 1 51 51 GLY H H 1 8.697 0.004 . 1 . . . . . 75 GLY H . 51165 2 132 . 1 . 1 51 51 GLY CA C 13 47.592 0.004 . 1 . . . . . 75 GLY CA . 51165 2 133 . 1 . 1 51 51 GLY N N 15 113.287 0.030 . 1 . . . . . 75 GLY N . 51165 2 134 . 1 . 1 52 52 ASP H H 1 8.948 0.002 . 1 . . . . . 76 ASP H . 51165 2 135 . 1 . 1 52 52 ASP C C 13 173.396 0.000 . 1 . . . . . 76 ASP C . 51165 2 136 . 1 . 1 52 52 ASP CA C 13 54.282 0.084 . 1 . . . . . 76 ASP CA . 51165 2 137 . 1 . 1 52 52 ASP CB C 13 40.676 0.000 . 1 . . . . . 76 ASP CB . 51165 2 138 . 1 . 1 52 52 ASP N N 15 129.626 0.024 . 1 . . . . . 76 ASP N . 51165 2 139 . 1 . 1 53 53 GLU H H 1 7.678 0.003 . 1 . . . . . 77 GLU H . 51165 2 140 . 1 . 1 53 53 GLU C C 13 173.823 0.010 . 1 . . . . . 77 GLU C . 51165 2 141 . 1 . 1 53 53 GLU CA C 13 54.153 0.025 . 1 . . . . . 77 GLU CA . 51165 2 142 . 1 . 1 53 53 GLU CB C 13 33.888 0.000 . 1 . . . . . 77 GLU CB . 51165 2 143 . 1 . 1 53 53 GLU N N 15 116.780 0.023 . 1 . . . . . 77 GLU N . 51165 2 144 . 1 . 1 54 54 LEU H H 1 8.766 0.003 . 1 . . . . . 78 LEU H . 51165 2 145 . 1 . 1 54 54 LEU CA C 13 53.628 0.024 . 1 . . . . . 78 LEU CA . 51165 2 146 . 1 . 1 54 54 LEU N N 15 116.426 0.008 . 1 . . . . . 78 LEU N . 51165 2 147 . 1 . 1 55 55 LEU H H 1 8.933 0.003 . 1 . . . . . 79 LEU H . 51165 2 148 . 1 . 1 55 55 LEU C C 13 174.266 0.000 . 1 . . . . . 79 LEU C . 51165 2 149 . 1 . 1 55 55 LEU CA C 13 53.615 0.026 . 1 . . . . . 79 LEU CA . 51165 2 150 . 1 . 1 55 55 LEU N N 15 123.476 0.007 . 1 . . . . . 79 LEU N . 51165 2 151 . 1 . 1 56 56 LEU H H 1 8.909 0.004 . 1 . . . . . 80 LEU H . 51165 2 152 . 1 . 1 56 56 LEU C C 13 174.204 0.000 . 1 . . . . . 80 LEU C . 51165 2 153 . 1 . 1 56 56 LEU CA C 13 53.486 0.109 . 1 . . . . . 80 LEU CA . 51165 2 154 . 1 . 1 56 56 LEU N N 15 128.499 0.026 . 1 . . . . . 80 LEU N . 51165 2 155 . 1 . 1 57 57 ILE H H 1 9.659 0.003 . 1 . . . . . 81 ILE H . 51165 2 156 . 1 . 1 57 57 ILE C C 13 175.226 0.000 . 1 . . . . . 81 ILE C . 51165 2 157 . 1 . 1 57 57 ILE CA C 13 59.222 0.000 . 1 . . . . . 81 ILE CA . 51165 2 158 . 1 . 1 57 57 ILE N N 15 126.844 0.006 . 1 . . . . . 81 ILE N . 51165 2 159 . 1 . 1 58 58 ASP H H 1 9.037 0.004 . 1 . . . . . 82 ASP H . 51165 2 160 . 1 . 1 58 58 ASP N N 15 118.690 0.003 . 1 . . . . . 82 ASP N . 51165 2 161 . 1 . 1 59 59 THR H H 1 6.787 0.000 . 1 . . . . . 83 THR H . 51165 2 162 . 1 . 1 59 59 THR N N 15 104.189 0.009 . 1 . . . . . 83 THR N . 51165 2 163 . 1 . 1 71 71 ALA H H 1 7.540 0.013 . 1 . . . . . 95 ALA H . 51165 2 164 . 1 . 1 71 71 ALA CA C 13 55.033 0.000 . 1 . . . . . 95 ALA CA . 51165 2 165 . 1 . 1 71 71 ALA N N 15 122.044 0.015 . 1 . . . . . 95 ALA N . 51165 2 166 . 1 . 1 72 72 GLU H H 1 8.489 0.004 . 1 . . . . . 96 GLU H . 51165 2 167 . 1 . 1 72 72 GLU C C 13 179.197 0.000 . 1 . . . . . 96 GLU C . 51165 2 168 . 1 . 1 72 72 GLU CA C 13 58.828 0.057 . 1 . . . . . 96 GLU CA . 51165 2 169 . 1 . 1 72 72 GLU N N 15 122.026 0.019 . 1 . . . . . 96 GLU N . 51165 2 170 . 1 . 1 73 73 ILE H H 1 8.576 0.005 . 1 . . . . . 97 ILE H . 51165 2 171 . 1 . 1 73 73 ILE CA C 13 66.285 0.000 . 1 . . . . . 97 ILE CA . 51165 2 172 . 1 . 1 73 73 ILE N N 15 119.691 0.026 . 1 . . . . . 97 ILE N . 51165 2 173 . 1 . 1 74 74 GLU H H 1 7.724 0.007 . 1 . . . . . 98 GLU H . 51165 2 174 . 1 . 1 74 74 GLU C C 13 177.070 0.000 . 1 . . . . . 98 GLU C . 51165 2 175 . 1 . 1 74 74 GLU CA C 13 59.858 0.055 . 1 . . . . . 98 GLU CA . 51165 2 176 . 1 . 1 74 74 GLU N N 15 122.640 0.028 . 1 . . . . . 98 GLU N . 51165 2 177 . 1 . 1 75 75 LYS H H 1 7.512 0.003 . 1 . . . . . 99 LYS H . 51165 2 178 . 1 . 1 75 75 LYS C C 13 178.175 0.009 . 1 . . . . . 99 LYS C . 51165 2 179 . 1 . 1 75 75 LYS CA C 13 59.049 0.082 . 1 . . . . . 99 LYS CA . 51165 2 180 . 1 . 1 75 75 LYS CB C 13 33.559 0.000 . 1 . . . . . 99 LYS CB . 51165 2 181 . 1 . 1 75 75 LYS N N 15 116.001 0.008 . 1 . . . . . 99 LYS N . 51165 2 182 . 1 . 1 76 76 GLN H H 1 8.405 0.001 . 1 . . . . . 100 GLN H . 51165 2 183 . 1 . 1 76 76 GLN C C 13 176.813 0.006 . 1 . . . . . 100 GLN C . 51165 2 184 . 1 . 1 76 76 GLN CA C 13 57.591 0.000 . 1 . . . . . 100 GLN CA . 51165 2 185 . 1 . 1 76 76 GLN N N 15 113.073 0.022 . 1 . . . . . 100 GLN N . 51165 2 186 . 1 . 1 77 77 ILE H H 1 8.162 0.002 . 1 . . . . . 101 ILE H . 51165 2 187 . 1 . 1 77 77 ILE C C 13 177.350 0.049 . 1 . . . . . 101 ILE C . 51165 2 188 . 1 . 1 77 77 ILE CA C 13 62.996 0.000 . 1 . . . . . 101 ILE CA . 51165 2 189 . 1 . 1 77 77 ILE N N 15 117.409 0.009 . 1 . . . . . 101 ILE N . 51165 2 190 . 1 . 1 78 78 GLY H H 1 8.269 0.002 . 1 . . . . . 102 GLY H . 51165 2 191 . 1 . 1 78 78 GLY C C 13 173.462 0.000 . 1 . . . . . 102 GLY C . 51165 2 192 . 1 . 1 78 78 GLY CA C 13 46.757 0.062 . 1 . . . . . 102 GLY CA . 51165 2 193 . 1 . 1 78 78 GLY N N 15 104.646 0.011 . 1 . . . . . 102 GLY N . 51165 2 194 . 1 . 1 79 79 LEU H H 1 6.186 0.002 . 1 . . . . . 103 LEU H . 51165 2 195 . 1 . 1 79 79 LEU CA C 13 51.076 0.004 . 1 . . . . . 103 LEU CA . 51165 2 196 . 1 . 1 79 79 LEU CB C 13 43.758 0.000 . 1 . . . . . 103 LEU CB . 51165 2 197 . 1 . 1 79 79 LEU N N 15 117.004 0.005 . 1 . . . . . 103 LEU N . 51165 2 198 . 1 . 1 81 81 VAL H H 1 8.804 0.007 . 1 . . . . . 105 VAL H . 51165 2 199 . 1 . 1 81 81 VAL CA C 13 61.688 0.012 . 1 . . . . . 105 VAL CA . 51165 2 200 . 1 . 1 81 81 VAL N N 15 122.320 0.022 . 1 . . . . . 105 VAL N . 51165 2 201 . 1 . 1 82 82 THR H H 1 8.414 0.008 . 1 . . . . . 106 THR H . 51165 2 202 . 1 . 1 82 82 THR C C 13 176.686 0.000 . 1 . . . . . 106 THR C . 51165 2 203 . 1 . 1 82 82 THR CA C 13 61.753 0.004 . 1 . . . . . 106 THR CA . 51165 2 204 . 1 . 1 82 82 THR CB C 13 69.838 0.000 . 1 . . . . . 106 THR CB . 51165 2 205 . 1 . 1 82 82 THR N N 15 114.050 0.005 . 1 . . . . . 106 THR N . 51165 2 206 . 1 . 1 83 83 ARG H H 1 7.615 0.002 . 1 . . . . . 107 ARG H . 51165 2 207 . 1 . 1 83 83 ARG C C 13 173.739 0.022 . 1 . . . . . 107 ARG C . 51165 2 208 . 1 . 1 83 83 ARG CA C 13 55.107 0.002 . 1 . . . . . 107 ARG CA . 51165 2 209 . 1 . 1 83 83 ARG CB C 13 36.647 0.000 . 1 . . . . . 107 ARG CB . 51165 2 210 . 1 . 1 83 83 ARG N N 15 121.452 0.018 . 1 . . . . . 107 ARG N . 51165 2 211 . 1 . 1 84 84 ALA H H 1 9.014 0.004 . 1 . . . . . 108 ALA H . 51165 2 212 . 1 . 1 84 84 ALA CA C 13 49.896 0.061 . 1 . . . . . 108 ALA CA . 51165 2 213 . 1 . 1 84 84 ALA CB C 13 24.511 0.006 . 1 . . . . . 108 ALA CB . 51165 2 214 . 1 . 1 84 84 ALA N N 15 121.800 0.023 . 1 . . . . . 108 ALA N . 51165 2 215 . 1 . 1 85 85 VAL H H 1 8.820 0.008 . 1 . . . . . 109 VAL H . 51165 2 216 . 1 . 1 85 85 VAL C C 13 175.195 0.015 . 1 . . . . . 109 VAL C . 51165 2 217 . 1 . 1 85 85 VAL CA C 13 60.078 0.016 . 1 . . . . . 109 VAL CA . 51165 2 218 . 1 . 1 85 85 VAL CB C 13 35.974 0.000 . 1 . . . . . 109 VAL CB . 51165 2 219 . 1 . 1 85 85 VAL N N 15 120.936 0.006 . 1 . . . . . 109 VAL N . 51165 2 220 . 1 . 1 86 86 SER H H 1 7.729 0.007 . 1 . . . . . 110 SER H . 51165 2 221 . 1 . 1 86 86 SER CA C 13 58.231 0.000 . 1 . . . . . 110 SER CA . 51165 2 222 . 1 . 1 86 86 SER N N 15 121.936 0.003 . 1 . . . . . 110 SER N . 51165 2 223 . 1 . 1 97 97 VAL C C 13 177.521 0.000 . 1 . . . . . 121 VAL C . 51165 2 224 . 1 . 1 98 98 ASP H H 1 7.763 0.004 . 1 . . . . . 122 ASP H . 51165 2 225 . 1 . 1 98 98 ASP C C 13 179.798 0.110 . 1 . . . . . 122 ASP C . 51165 2 226 . 1 . 1 98 98 ASP CA C 13 58.205 0.000 . 1 . . . . . 122 ASP CA . 51165 2 227 . 1 . 1 98 98 ASP N N 15 117.411 0.006 . 1 . . . . . 122 ASP N . 51165 2 228 . 1 . 1 99 99 VAL H H 1 7.742 0.003 . 1 . . . . . 123 VAL H . 51165 2 229 . 1 . 1 99 99 VAL C C 13 178.873 0.000 . 1 . . . . . 123 VAL C . 51165 2 230 . 1 . 1 99 99 VAL CA C 13 66.206 0.000 . 1 . . . . . 123 VAL CA . 51165 2 231 . 1 . 1 99 99 VAL N N 15 123.592 0.013 . 1 . . . . . 123 VAL N . 51165 2 232 . 1 . 1 100 100 LEU H H 1 7.725 0.000 . 1 . . . . . 124 LEU H . 51165 2 233 . 1 . 1 100 100 LEU N N 15 118.931 0.030 . 1 . . . . . 124 LEU N . 51165 2 234 . 1 . 1 101 101 ARG H H 1 8.858 0.004 . 1 . . . . . 125 ARG H . 51165 2 235 . 1 . 1 101 101 ARG C C 13 180.915 0.003 . 1 . . . . . 125 ARG C . 51165 2 236 . 1 . 1 101 101 ARG CA C 13 59.746 0.061 . 1 . . . . . 125 ARG CA . 51165 2 237 . 1 . 1 101 101 ARG N N 15 121.360 0.043 . 1 . . . . . 125 ARG N . 51165 2 238 . 1 . 1 102 102 ALA H H 1 8.063 0.003 . 1 . . . . . 126 ALA H . 51165 2 239 . 1 . 1 102 102 ALA C C 13 178.224 0.009 . 1 . . . . . 126 ALA C . 51165 2 240 . 1 . 1 102 102 ALA CA C 13 54.625 0.044 . 1 . . . . . 126 ALA CA . 51165 2 241 . 1 . 1 102 102 ALA CB C 13 17.774 0.038 . 1 . . . . . 126 ALA CB . 51165 2 242 . 1 . 1 102 102 ALA N N 15 122.921 0.027 . 1 . . . . . 126 ALA N . 51165 2 243 . 1 . 1 103 103 ALA H H 1 7.484 0.004 . 1 . . . . . 127 ALA H . 51165 2 244 . 1 . 1 103 103 ALA C C 13 177.242 0.006 . 1 . . . . . 127 ALA C . 51165 2 245 . 1 . 1 103 103 ALA CA C 13 51.764 0.021 . 1 . . . . . 127 ALA CA . 51165 2 246 . 1 . 1 103 103 ALA CB C 13 19.002 0.000 . 1 . . . . . 127 ALA CB . 51165 2 247 . 1 . 1 103 103 ALA N N 15 119.536 0.009 . 1 . . . . . 127 ALA N . 51165 2 248 . 1 . 1 104 104 GLY H H 1 7.895 0.002 . 1 . . . . . 128 GLY H . 51165 2 249 . 1 . 1 104 104 GLY CA C 13 45.407 0.016 . 1 . . . . . 128 GLY CA . 51165 2 250 . 1 . 1 104 104 GLY N N 15 106.415 0.035 . 1 . . . . . 128 GLY N . 51165 2 251 . 1 . 1 105 105 VAL H H 1 8.021 0.009 . 1 . . . . . 129 VAL H . 51165 2 252 . 1 . 1 105 105 VAL C C 13 175.464 0.001 . 1 . . . . . 129 VAL C . 51165 2 253 . 1 . 1 105 105 VAL CA C 13 62.587 0.040 . 1 . . . . . 129 VAL CA . 51165 2 254 . 1 . 1 105 105 VAL CB C 13 32.356 0.000 . 1 . . . . . 129 VAL CB . 51165 2 255 . 1 . 1 105 105 VAL N N 15 121.952 0.036 . 1 . . . . . 129 VAL N . 51165 2 256 . 1 . 1 106 106 ALA H H 1 7.922 0.006 . 1 . . . . . 130 ALA H . 51165 2 257 . 1 . 1 106 106 ALA C C 13 175.429 0.000 . 1 . . . . . 130 ALA C . 51165 2 258 . 1 . 1 106 106 ALA CA C 13 52.408 0.027 . 1 . . . . . 130 ALA CA . 51165 2 259 . 1 . 1 106 106 ALA CB C 13 20.298 0.000 . 1 . . . . . 130 ALA CB . 51165 2 260 . 1 . 1 106 106 ALA N N 15 131.766 0.011 . 1 . . . . . 130 ALA N . 51165 2 261 . 1 . 1 107 107 THR H H 1 8.314 0.013 . 1 . . . . . 131 THR H . 51165 2 262 . 1 . 1 107 107 THR CA C 13 60.092 0.000 . 1 . . . . . 131 THR CA . 51165 2 263 . 1 . 1 107 107 THR N N 15 116.122 0.021 . 1 . . . . . 131 THR N . 51165 2 264 . 1 . 1 108 108 TYR H H 1 9.175 0.002 . 1 . . . . . 132 TYR H . 51165 2 265 . 1 . 1 108 108 TYR C C 13 176.440 0.000 . 1 . . . . . 132 TYR C . 51165 2 266 . 1 . 1 108 108 TYR CA C 13 56.956 0.000 . 1 . . . . . 132 TYR CA . 51165 2 267 . 1 . 1 108 108 TYR N N 15 120.090 0.004 . 1 . . . . . 132 TYR N . 51165 2 268 . 1 . 1 109 109 ALA H H 1 8.717 0.004 . 1 . . . . . 133 ALA H . 51165 2 269 . 1 . 1 109 109 ALA C C 13 175.321 0.013 . 1 . . . . . 133 ALA C . 51165 2 270 . 1 . 1 109 109 ALA CA C 13 51.783 0.037 . 1 . . . . . 133 ALA CA . 51165 2 271 . 1 . 1 109 109 ALA N N 15 118.278 0.013 . 1 . . . . . 133 ALA N . 51165 2 272 . 1 . 1 110 110 SER H H 1 10.300 0.003 . 1 . . . . . 134 SER H . 51165 2 273 . 1 . 1 110 110 SER CA C 13 57.828 0.000 . 1 . . . . . 134 SER CA . 51165 2 274 . 1 . 1 110 110 SER N N 15 119.245 0.003 . 1 . . . . . 134 SER N . 51165 2 275 . 1 . 1 111 111 PRO C C 13 179.886 0.000 . 1 . . . . . 135 PRO C . 51165 2 276 . 1 . 1 111 111 PRO CA C 13 65.531 0.000 . 1 . . . . . 135 PRO CA . 51165 2 277 . 1 . 1 111 111 PRO CB C 13 31.859 0.000 . 1 . . . . . 135 PRO CB . 51165 2 278 . 1 . 1 112 112 SER H H 1 7.661 0.008 . 1 . . . . . 136 SER H . 51165 2 279 . 1 . 1 112 112 SER C C 13 175.431 0.000 . 1 . . . . . 136 SER C . 51165 2 280 . 1 . 1 112 112 SER CA C 13 61.591 0.000 . 1 . . . . . 136 SER CA . 51165 2 281 . 1 . 1 112 112 SER N N 15 112.763 0.012 . 1 . . . . . 136 SER N . 51165 2 282 . 1 . 1 113 113 THR H H 1 8.226 0.001 . 1 . . . . . 137 THR H . 51165 2 283 . 1 . 1 113 113 THR CA C 13 66.036 0.000 . 1 . . . . . 137 THR CA . 51165 2 284 . 1 . 1 113 113 THR N N 15 120.933 0.006 . 1 . . . . . 137 THR N . 51165 2 285 . 1 . 1 114 114 ARG H H 1 8.292 0.005 . 1 . . . . . 138 ARG H . 51165 2 286 . 1 . 1 114 114 ARG C C 13 178.062 0.000 . 1 . . . . . 138 ARG C . 51165 2 287 . 1 . 1 114 114 ARG CA C 13 61.596 0.108 . 1 . . . . . 138 ARG CA . 51165 2 288 . 1 . 1 114 114 ARG N N 15 117.722 0.025 . 1 . . . . . 138 ARG N . 51165 2 289 . 1 . 1 115 115 ARG H H 1 7.761 0.005 . 1 . . . . . 139 ARG H . 51165 2 290 . 1 . 1 115 115 ARG C C 13 178.121 0.000 . 1 . . . . . 139 ARG C . 51165 2 291 . 1 . 1 115 115 ARG CA C 13 58.888 0.037 . 1 . . . . . 139 ARG CA . 51165 2 292 . 1 . 1 115 115 ARG N N 15 119.084 0.041 . 1 . . . . . 139 ARG N . 51165 2 293 . 1 . 1 116 116 LEU H H 1 8.110 0.007 . 1 . . . . . 140 LEU H . 51165 2 294 . 1 . 1 116 116 LEU C C 13 179.211 0.000 . 1 . . . . . 140 LEU C . 51165 2 295 . 1 . 1 116 116 LEU CA C 13 57.921 0.041 . 1 . . . . . 140 LEU CA . 51165 2 296 . 1 . 1 116 116 LEU N N 15 119.932 0.006 . 1 . . . . . 140 LEU N . 51165 2 297 . 1 . 1 117 117 ALA H H 1 8.597 0.006 . 1 . . . . . 141 ALA H . 51165 2 298 . 1 . 1 117 117 ALA C C 13 178.718 0.015 . 1 . . . . . 141 ALA C . 51165 2 299 . 1 . 1 117 117 ALA CA C 13 55.971 0.045 . 1 . . . . . 141 ALA CA . 51165 2 300 . 1 . 1 117 117 ALA CB C 13 17.438 0.023 . 1 . . . . . 141 ALA CB . 51165 2 301 . 1 . 1 117 117 ALA N N 15 120.690 0.049 . 1 . . . . . 141 ALA N . 51165 2 302 . 1 . 1 118 118 GLU H H 1 7.655 0.008 . 1 . . . . . 142 GLU H . 51165 2 303 . 1 . 1 118 118 GLU C C 13 180.039 0.000 . 1 . . . . . 142 GLU C . 51165 2 304 . 1 . 1 118 118 GLU CA C 13 59.534 0.065 . 1 . . . . . 142 GLU CA . 51165 2 305 . 1 . 1 118 118 GLU CB C 13 29.492 0.000 . 1 . . . . . 142 GLU CB . 51165 2 306 . 1 . 1 118 118 GLU N N 15 118.142 0.021 . 1 . . . . . 142 GLU N . 51165 2 307 . 1 . 1 119 119 VAL H H 1 8.084 0.004 . 1 . . . . . 143 VAL H . 51165 2 308 . 1 . 1 119 119 VAL CA C 13 66.087 0.066 . 1 . . . . . 143 VAL CA . 51165 2 309 . 1 . 1 119 119 VAL CB C 13 31.753 0.000 . 1 . . . . . 143 VAL CB . 51165 2 310 . 1 . 1 119 119 VAL N N 15 120.081 0.023 . 1 . . . . . 143 VAL N . 51165 2 311 . 1 . 1 120 120 GLU H H 1 7.774 0.003 . 1 . . . . . 144 GLU H . 51165 2 312 . 1 . 1 120 120 GLU C C 13 176.417 0.010 . 1 . . . . . 144 GLU C . 51165 2 313 . 1 . 1 120 120 GLU CA C 13 56.628 0.029 . 1 . . . . . 144 GLU CA . 51165 2 314 . 1 . 1 120 120 GLU N N 15 117.796 0.028 . 1 . . . . . 144 GLU N . 51165 2 315 . 1 . 1 121 121 GLY H H 1 7.782 0.008 . 1 . . . . . 145 GLY H . 51165 2 316 . 1 . 1 121 121 GLY C C 13 175.115 0.001 . 1 . . . . . 145 GLY C . 51165 2 317 . 1 . 1 121 121 GLY CA C 13 45.623 0.030 . 1 . . . . . 145 GLY CA . 51165 2 318 . 1 . 1 121 121 GLY N N 15 106.129 0.038 . 1 . . . . . 145 GLY N . 51165 2 319 . 1 . 1 122 122 ASN H H 1 8.248 0.003 . 1 . . . . . 146 ASN H . 51165 2 320 . 1 . 1 122 122 ASN C C 13 174.126 0.004 . 1 . . . . . 146 ASN C . 51165 2 321 . 1 . 1 122 122 ASN CA C 13 51.303 0.010 . 1 . . . . . 146 ASN CA . 51165 2 322 . 1 . 1 122 122 ASN CB C 13 39.920 0.000 . 1 . . . . . 146 ASN CB . 51165 2 323 . 1 . 1 122 122 ASN N N 15 119.905 0.021 . 1 . . . . . 146 ASN N . 51165 2 324 . 1 . 1 123 123 GLU H H 1 8.176 0.004 . 1 . . . . . 147 GLU H . 51165 2 325 . 1 . 1 123 123 GLU CA C 13 57.770 0.000 . 1 . . . . . 147 GLU CA . 51165 2 326 . 1 . 1 123 123 GLU N N 15 119.733 0.041 . 1 . . . . . 147 GLU N . 51165 2 327 . 1 . 1 124 124 ILE H H 1 8.133 0.004 . 1 . . . . . 148 ILE H . 51165 2 328 . 1 . 1 124 124 ILE CA C 13 58.401 0.000 . 1 . . . . . 148 ILE CA . 51165 2 329 . 1 . 1 124 124 ILE N N 15 115.591 0.014 . 1 . . . . . 148 ILE N . 51165 2 330 . 1 . 1 125 125 PRO C C 13 175.123 0.000 . 1 . . . . . 149 PRO C . 51165 2 331 . 1 . 1 125 125 PRO CA C 13 62.527 0.000 . 1 . . . . . 149 PRO CA . 51165 2 332 . 1 . 1 126 126 THR H H 1 8.537 0.004 . 1 . . . . . 150 THR H . 51165 2 333 . 1 . 1 126 126 THR CA C 13 67.529 0.000 . 1 . . . . . 150 THR CA . 51165 2 334 . 1 . 1 126 126 THR N N 15 122.770 0.018 . 1 . . . . . 150 THR N . 51165 2 335 . 1 . 1 127 127 HIS H H 1 8.845 0.007 . 1 . . . . . 151 HIS H . 51165 2 336 . 1 . 1 127 127 HIS C C 13 175.072 0.006 . 1 . . . . . 151 HIS C . 51165 2 337 . 1 . 1 127 127 HIS CA C 13 55.317 0.047 . 1 . . . . . 151 HIS CA . 51165 2 338 . 1 . 1 127 127 HIS CB C 13 33.052 0.000 . 1 . . . . . 151 HIS CB . 51165 2 339 . 1 . 1 127 127 HIS N N 15 118.401 0.012 . 1 . . . . . 151 HIS N . 51165 2 340 . 1 . 1 128 128 SER H H 1 8.707 0.003 . 1 . . . . . 152 SER H . 51165 2 341 . 1 . 1 128 128 SER C C 13 175.332 0.009 . 1 . . . . . 152 SER C . 51165 2 342 . 1 . 1 128 128 SER CA C 13 57.571 0.148 . 1 . . . . . 152 SER CA . 51165 2 343 . 1 . 1 128 128 SER CB C 13 65.089 0.000 . 1 . . . . . 152 SER CB . 51165 2 344 . 1 . 1 128 128 SER N N 15 116.686 0.010 . 1 . . . . . 152 SER N . 51165 2 345 . 1 . 1 129 129 LEU H H 1 7.980 0.004 . 1 . . . . . 153 LEU H . 51165 2 346 . 1 . 1 129 129 LEU C C 13 175.583 0.000 . 1 . . . . . 153 LEU C . 51165 2 347 . 1 . 1 129 129 LEU CA C 13 53.717 0.000 . 1 . . . . . 153 LEU CA . 51165 2 348 . 1 . 1 129 129 LEU N N 15 125.707 0.004 . 1 . . . . . 153 LEU N . 51165 2 349 . 1 . 1 130 130 GLU H H 1 8.428 0.004 . 1 . . . . . 154 GLU H . 51165 2 350 . 1 . 1 130 130 GLU C C 13 176.432 0.002 . 1 . . . . . 154 GLU C . 51165 2 351 . 1 . 1 130 130 GLU CA C 13 55.907 0.033 . 1 . . . . . 154 GLU CA . 51165 2 352 . 1 . 1 130 130 GLU CB C 13 30.788 0.000 . 1 . . . . . 154 GLU CB . 51165 2 353 . 1 . 1 130 130 GLU N N 15 122.683 0.042 . 1 . . . . . 154 GLU N . 51165 2 354 . 1 . 1 131 131 GLY H H 1 8.312 0.005 . 1 . . . . . 155 GLY H . 51165 2 355 . 1 . 1 131 131 GLY C C 13 173.993 0.000 . 1 . . . . . 155 GLY C . 51165 2 356 . 1 . 1 131 131 GLY CA C 13 45.822 0.030 . 1 . . . . . 155 GLY CA . 51165 2 357 . 1 . 1 131 131 GLY N N 15 106.477 0.031 . 1 . . . . . 155 GLY N . 51165 2 358 . 1 . 1 132 132 LEU H H 1 8.143 0.004 . 1 . . . . . 156 LEU H . 51165 2 359 . 1 . 1 132 132 LEU C C 13 175.495 0.026 . 1 . . . . . 156 LEU C . 51165 2 360 . 1 . 1 132 132 LEU CA C 13 53.382 0.071 . 1 . . . . . 156 LEU CA . 51165 2 361 . 1 . 1 132 132 LEU CB C 13 43.164 0.032 . 1 . . . . . 156 LEU CB . 51165 2 362 . 1 . 1 132 132 LEU N N 15 119.532 0.018 . 1 . . . . . 156 LEU N . 51165 2 363 . 1 . 1 133 133 SER H H 1 8.530 0.005 . 1 . . . . . 157 SER H . 51165 2 364 . 1 . 1 133 133 SER CA C 13 60.651 0.031 . 1 . . . . . 157 SER CA . 51165 2 365 . 1 . 1 133 133 SER CB C 13 65.002 0.000 . 1 . . . . . 157 SER CB . 51165 2 366 . 1 . 1 133 133 SER N N 15 114.704 0.026 . 1 . . . . . 157 SER N . 51165 2 367 . 1 . 1 134 134 SER H H 1 9.016 0.003 . 1 . . . . . 158 SER H . 51165 2 368 . 1 . 1 134 134 SER C C 13 173.308 0.012 . 1 . . . . . 158 SER C . 51165 2 369 . 1 . 1 134 134 SER CA C 13 57.215 0.051 . 1 . . . . . 158 SER CA . 51165 2 370 . 1 . 1 134 134 SER CB C 13 64.955 0.000 . 1 . . . . . 158 SER CB . 51165 2 371 . 1 . 1 134 134 SER N N 15 119.223 0.020 . 1 . . . . . 158 SER N . 51165 2 372 . 1 . 1 135 135 SER H H 1 8.750 0.004 . 1 . . . . . 159 SER H . 51165 2 373 . 1 . 1 135 135 SER C C 13 175.637 0.000 . 1 . . . . . 159 SER C . 51165 2 374 . 1 . 1 135 135 SER CA C 13 59.687 0.057 . 1 . . . . . 159 SER CA . 51165 2 375 . 1 . 1 135 135 SER CB C 13 62.113 0.000 . 1 . . . . . 159 SER CB . 51165 2 376 . 1 . 1 135 135 SER N N 15 120.275 0.025 . 1 . . . . . 159 SER N . 51165 2 377 . 1 . 1 136 136 GLY H H 1 8.926 0.005 . 1 . . . . . 160 GLY H . 51165 2 378 . 1 . 1 136 136 GLY C C 13 173.157 0.000 . 1 . . . . . 160 GLY C . 51165 2 379 . 1 . 1 136 136 GLY CA C 13 44.720 0.062 . 1 . . . . . 160 GLY CA . 51165 2 380 . 1 . 1 136 136 GLY N N 15 112.913 0.005 . 1 . . . . . 160 GLY N . 51165 2 381 . 1 . 1 137 137 ASP H H 1 8.085 0.002 . 1 . . . . . 161 ASP H . 51165 2 382 . 1 . 1 137 137 ASP C C 13 173.668 0.001 . 1 . . . . . 161 ASP C . 51165 2 383 . 1 . 1 137 137 ASP CA C 13 55.823 0.051 . 1 . . . . . 161 ASP CA . 51165 2 384 . 1 . 1 137 137 ASP CB C 13 42.289 0.014 . 1 . . . . . 161 ASP CB . 51165 2 385 . 1 . 1 137 137 ASP N N 15 123.524 0.024 . 1 . . . . . 161 ASP N . 51165 2 386 . 1 . 1 138 138 ALA H H 1 8.001 0.004 . 1 . . . . . 162 ALA H . 51165 2 387 . 1 . 1 138 138 ALA C C 13 177.448 0.014 . 1 . . . . . 162 ALA C . 51165 2 388 . 1 . 1 138 138 ALA CA C 13 50.353 0.000 . 1 . . . . . 162 ALA CA . 51165 2 389 . 1 . 1 138 138 ALA CB C 13 23.995 0.019 . 1 . . . . . 162 ALA CB . 51165 2 390 . 1 . 1 138 138 ALA N N 15 120.644 0.008 . 1 . . . . . 162 ALA N . 51165 2 391 . 1 . 1 139 139 VAL H H 1 9.086 0.007 . 1 . . . . . 163 VAL H . 51165 2 392 . 1 . 1 139 139 VAL C C 13 174.411 0.000 . 1 . . . . . 163 VAL C . 51165 2 393 . 1 . 1 139 139 VAL CA C 13 60.157 0.088 . 1 . . . . . 163 VAL CA . 51165 2 394 . 1 . 1 139 139 VAL N N 15 116.553 0.027 . 1 . . . . . 163 VAL N . 51165 2 395 . 1 . 1 140 140 ARG H H 1 8.843 0.008 . 1 . . . . . 164 ARG H . 51165 2 396 . 1 . 1 140 140 ARG C C 13 175.458 0.016 . 1 . . . . . 164 ARG C . 51165 2 397 . 1 . 1 140 140 ARG CA C 13 55.336 0.111 . 1 . . . . . 164 ARG CA . 51165 2 398 . 1 . 1 140 140 ARG CB C 13 30.271 0.000 . 1 . . . . . 164 ARG CB . 51165 2 399 . 1 . 1 140 140 ARG N N 15 124.954 0.046 . 1 . . . . . 164 ARG N . 51165 2 400 . 1 . 1 141 141 PHE H H 1 8.999 0.000 . 1 . . . . . 165 PHE H . 51165 2 401 . 1 . 1 141 141 PHE C C 13 173.511 0.000 . 1 . . . . . 165 PHE C . 51165 2 402 . 1 . 1 141 141 PHE CA C 13 57.134 0.000 . 1 . . . . . 165 PHE CA . 51165 2 403 . 1 . 1 141 141 PHE N N 15 130.074 0.002 . 1 . . . . . 165 PHE N . 51165 2 404 . 1 . 1 142 142 GLY H H 1 8.502 0.002 . 1 . . . . . 166 GLY H . 51165 2 405 . 1 . 1 142 142 GLY CA C 13 44.939 0.052 . 1 . . . . . 166 GLY CA . 51165 2 406 . 1 . 1 142 142 GLY N N 15 114.728 0.016 . 1 . . . . . 166 GLY N . 51165 2 407 . 1 . 1 143 143 PRO C C 13 175.178 0.000 . 1 . . . . . 167 PRO C . 51165 2 408 . 1 . 1 143 143 PRO CA C 13 63.438 0.000 . 1 . . . . . 167 PRO CA . 51165 2 409 . 1 . 1 143 143 PRO CB C 13 32.489 0.000 . 1 . . . . . 167 PRO CB . 51165 2 410 . 1 . 1 144 144 VAL H H 1 7.594 0.006 . 1 . . . . . 168 VAL H . 51165 2 411 . 1 . 1 144 144 VAL C C 13 174.211 0.006 . 1 . . . . . 168 VAL C . 51165 2 412 . 1 . 1 144 144 VAL CA C 13 58.426 0.060 . 1 . . . . . 168 VAL CA . 51165 2 413 . 1 . 1 144 144 VAL CB C 13 34.854 0.000 . 1 . . . . . 168 VAL CB . 51165 2 414 . 1 . 1 144 144 VAL N N 15 110.577 0.034 . 1 . . . . . 168 VAL N . 51165 2 415 . 1 . 1 145 145 GLU H H 1 9.568 0.005 . 1 . . . . . 169 GLU H . 51165 2 416 . 1 . 1 145 145 GLU C C 13 174.669 0.015 . 1 . . . . . 169 GLU C . 51165 2 417 . 1 . 1 145 145 GLU CA C 13 55.525 0.003 . 1 . . . . . 169 GLU CA . 51165 2 418 . 1 . 1 145 145 GLU N N 15 121.596 0.047 . 1 . . . . . 169 GLU N . 51165 2 419 . 1 . 1 146 146 LEU H H 1 9.322 0.003 . 1 . . . . . 170 LEU H . 51165 2 420 . 1 . 1 146 146 LEU C C 13 174.629 0.005 . 1 . . . . . 170 LEU C . 51165 2 421 . 1 . 1 146 146 LEU CA C 13 53.098 0.088 . 1 . . . . . 170 LEU CA . 51165 2 422 . 1 . 1 146 146 LEU N N 15 124.620 0.040 . 1 . . . . . 170 LEU N . 51165 2 423 . 1 . 1 147 147 PHE H H 1 9.011 0.008 . 1 . . . . . 171 PHE H . 51165 2 424 . 1 . 1 147 147 PHE C C 13 174.128 0.000 . 1 . . . . . 171 PHE C . 51165 2 425 . 1 . 1 147 147 PHE CA C 13 55.124 0.044 . 1 . . . . . 171 PHE CA . 51165 2 426 . 1 . 1 147 147 PHE CB C 13 43.323 0.000 . 1 . . . . . 171 PHE CB . 51165 2 427 . 1 . 1 147 147 PHE N N 15 122.728 0.019 . 1 . . . . . 171 PHE N . 51165 2 428 . 1 . 1 148 148 TYR H H 1 8.545 0.003 . 1 . . . . . 172 TYR H . 51165 2 429 . 1 . 1 148 148 TYR CA C 13 51.831 0.000 . 1 . . . . . 172 TYR CA . 51165 2 430 . 1 . 1 148 148 TYR N N 15 127.687 0.004 . 1 . . . . . 172 TYR N . 51165 2 431 . 1 . 1 151 151 ALA H H 1 8.024 0.005 . 1 . . . . . 175 ALA H . 51165 2 432 . 1 . 1 151 151 ALA C C 13 177.589 0.000 . 1 . . . . . 175 ALA C . 51165 2 433 . 1 . 1 151 151 ALA CA C 13 52.380 0.064 . 1 . . . . . 175 ALA CA . 51165 2 434 . 1 . 1 151 151 ALA N N 15 117.583 0.009 . 1 . . . . . 175 ALA N . 51165 2 435 . 1 . 1 152 152 ALA H H 1 7.439 0.007 . 1 . . . . . 176 ALA H . 51165 2 436 . 1 . 1 152 152 ALA C C 13 172.630 0.000 . 1 . . . . . 176 ALA C . 51165 2 437 . 1 . 1 152 152 ALA CA C 13 52.686 0.008 . 1 . . . . . 176 ALA CA . 51165 2 438 . 1 . 1 152 152 ALA N N 15 123.313 0.012 . 1 . . . . . 176 ALA N . 51165 2 439 . 1 . 1 153 153 HIS H H 1 6.250 0.008 . 1 . . . . . 177 HIS H . 51165 2 440 . 1 . 1 153 153 HIS N N 15 124.400 0.022 . 1 . . . . . 177 HIS N . 51165 2 441 . 1 . 1 154 154 SER H H 1 7.725 0.003 . 1 . . . . . 178 SER H . 51165 2 442 . 1 . 1 154 154 SER CA C 13 57.267 0.003 . 1 . . . . . 178 SER CA . 51165 2 443 . 1 . 1 154 154 SER N N 15 107.303 0.009 . 1 . . . . . 178 SER N . 51165 2 444 . 1 . 1 155 155 THR H H 1 9.739 0.006 . 1 . . . . . 179 THR H . 51165 2 445 . 1 . 1 155 155 THR N N 15 114.927 0.015 . 1 . . . . . 179 THR N . 51165 2 446 . 1 . 1 156 156 ASP H H 1 10.170 0.004 . 1 . . . . . 180 ASP H . 51165 2 447 . 1 . 1 156 156 ASP C C 13 176.019 0.007 . 1 . . . . . 180 ASP C . 51165 2 448 . 1 . 1 156 156 ASP CA C 13 53.165 0.043 . 1 . . . . . 180 ASP CA . 51165 2 449 . 1 . 1 156 156 ASP N N 15 117.403 0.012 . 1 . . . . . 180 ASP N . 51165 2 450 . 1 . 1 157 157 ASN H H 1 6.528 0.004 . 1 . . . . . 181 ASN H . 51165 2 451 . 1 . 1 157 157 ASN C C 13 175.343 0.001 . 1 . . . . . 181 ASN C . 51165 2 452 . 1 . 1 157 157 ASN CA C 13 54.454 0.023 . 1 . . . . . 181 ASN CA . 51165 2 453 . 1 . 1 157 157 ASN N N 15 116.295 0.004 . 1 . . . . . 181 ASN N . 51165 2 454 . 1 . 1 158 158 LEU H H 1 8.958 0.007 . 1 . . . . . 182 LEU H . 51165 2 455 . 1 . 1 158 158 LEU C C 13 177.885 0.000 . 1 . . . . . 182 LEU C . 51165 2 456 . 1 . 1 158 158 LEU CA C 13 53.283 0.000 . 1 . . . . . 182 LEU CA . 51165 2 457 . 1 . 1 158 158 LEU N N 15 119.805 0.003 . 1 . . . . . 182 LEU N . 51165 2 458 . 1 . 1 159 159 VAL H H 1 9.183 0.003 . 1 . . . . . 183 VAL H . 51165 2 459 . 1 . 1 159 159 VAL C C 13 173.702 0.000 . 1 . . . . . 183 VAL C . 51165 2 460 . 1 . 1 159 159 VAL CA C 13 59.832 0.000 . 1 . . . . . 183 VAL CA . 51165 2 461 . 1 . 1 159 159 VAL N N 15 113.471 0.007 . 1 . . . . . 183 VAL N . 51165 2 462 . 1 . 1 160 160 VAL H H 1 8.594 0.005 . 1 . . . . . 184 VAL H . 51165 2 463 . 1 . 1 160 160 VAL CA C 13 60.901 0.000 . 1 . . . . . 184 VAL CA . 51165 2 464 . 1 . 1 160 160 VAL N N 15 119.482 0.039 . 1 . . . . . 184 VAL N . 51165 2 465 . 1 . 1 161 161 TYR H H 1 9.660 0.007 . 1 . . . . . 185 TYR H . 51165 2 466 . 1 . 1 161 161 TYR C C 13 174.636 0.006 . 1 . . . . . 185 TYR C . 51165 2 467 . 1 . 1 161 161 TYR N N 15 128.563 0.030 . 1 . . . . . 185 TYR N . 51165 2 468 . 1 . 1 162 162 VAL H H 1 8.687 0.004 . 1 . . . . . 186 VAL H . 51165 2 469 . 1 . 1 162 162 VAL C C 13 175.111 0.000 . 1 . . . . . 186 VAL C . 51165 2 470 . 1 . 1 162 162 VAL CA C 13 58.759 0.000 . 1 . . . . . 186 VAL CA . 51165 2 471 . 1 . 1 162 162 VAL N N 15 126.830 0.011 . 1 . . . . . 186 VAL N . 51165 2 472 . 1 . 1 163 163 PRO C C 13 176.327 0.000 . 1 . . . . . 187 PRO C . 51165 2 473 . 1 . 1 163 163 PRO CA C 13 65.154 0.000 . 1 . . . . . 187 PRO CA . 51165 2 474 . 1 . 1 164 164 SER H H 1 7.737 0.003 . 1 . . . . . 188 SER H . 51165 2 475 . 1 . 1 164 164 SER CA C 13 60.359 0.031 . 1 . . . . . 188 SER CA . 51165 2 476 . 1 . 1 164 164 SER CB C 13 63.045 0.000 . 1 . . . . . 188 SER CB . 51165 2 477 . 1 . 1 164 164 SER N N 15 113.068 0.008 . 1 . . . . . 188 SER N . 51165 2 478 . 1 . 1 165 165 ALA H H 1 6.618 0.004 . 1 . . . . . 189 ALA H . 51165 2 479 . 1 . 1 165 165 ALA C C 13 175.394 0.023 . 1 . . . . . 189 ALA C . 51165 2 480 . 1 . 1 165 165 ALA CA C 13 50.823 0.033 . 1 . . . . . 189 ALA CA . 51165 2 481 . 1 . 1 165 165 ALA CB C 13 21.819 0.000 . 1 . . . . . 189 ALA CB . 51165 2 482 . 1 . 1 165 165 ALA N N 15 120.593 0.034 . 1 . . . . . 189 ALA N . 51165 2 483 . 1 . 1 166 166 SER H H 1 7.609 0.006 . 1 . . . . . 190 SER H . 51165 2 484 . 1 . 1 166 166 SER C C 13 174.095 0.000 . 1 . . . . . 190 SER C . 51165 2 485 . 1 . 1 166 166 SER CA C 13 58.611 0.103 . 1 . . . . . 190 SER CA . 51165 2 486 . 1 . 1 166 166 SER CB C 13 61.564 0.019 . 1 . . . . . 190 SER CB . 51165 2 487 . 1 . 1 166 166 SER N N 15 111.977 0.039 . 1 . . . . . 190 SER N . 51165 2 488 . 1 . 1 167 167 VAL H H 1 6.638 0.002 . 1 . . . . . 191 VAL H . 51165 2 489 . 1 . 1 167 167 VAL C C 13 172.487 0.005 . 1 . . . . . 191 VAL C . 51165 2 490 . 1 . 1 167 167 VAL CA C 13 60.359 0.000 . 1 . . . . . 191 VAL CA . 51165 2 491 . 1 . 1 167 167 VAL CB C 13 34.922 0.000 . 1 . . . . . 191 VAL CB . 51165 2 492 . 1 . 1 167 167 VAL N N 15 116.850 0.006 . 1 . . . . . 191 VAL N . 51165 2 493 . 1 . 1 168 168 LEU H H 1 9.431 0.003 . 1 . . . . . 192 LEU H . 51165 2 494 . 1 . 1 168 168 LEU CA C 13 53.190 0.041 . 1 . . . . . 192 LEU CA . 51165 2 495 . 1 . 1 168 168 LEU N N 15 129.083 0.006 . 1 . . . . . 192 LEU N . 51165 2 496 . 1 . 1 169 169 TYR H H 1 10.099 0.007 . 1 . . . . . 193 TYR H . 51165 2 497 . 1 . 1 169 169 TYR C C 13 174.195 0.000 . 1 . . . . . 193 TYR C . 51165 2 498 . 1 . 1 169 169 TYR CA C 13 56.115 0.000 . 1 . . . . . 193 TYR CA . 51165 2 499 . 1 . 1 169 169 TYR N N 15 128.805 0.002 . 1 . . . . . 193 TYR N . 51165 2 500 . 1 . 1 170 170 GLY H H 1 8.698 0.004 . 1 . . . . . 194 GLY H . 51165 2 501 . 1 . 1 170 170 GLY CA C 13 44.920 0.000 . 1 . . . . . 194 GLY CA . 51165 2 502 . 1 . 1 170 170 GLY N N 15 112.215 0.018 . 1 . . . . . 194 GLY N . 51165 2 503 . 1 . 1 173 173 ALA H H 1 6.573 0.002 . 1 . . . . . 197 ALA H . 51165 2 504 . 1 . 1 173 173 ALA C C 13 174.128 0.001 . 1 . . . . . 197 ALA C . 51165 2 505 . 1 . 1 173 173 ALA CA C 13 53.080 0.000 . 1 . . . . . 197 ALA CA . 51165 2 506 . 1 . 1 173 173 ALA CB C 13 17.449 0.000 . 1 . . . . . 197 ALA CB . 51165 2 507 . 1 . 1 173 173 ALA N N 15 115.607 0.014 . 1 . . . . . 197 ALA N . 51165 2 508 . 1 . 1 174 174 ILE H H 1 7.168 0.002 . 1 . . . . . 198 ILE H . 51165 2 509 . 1 . 1 174 174 ILE CA C 13 58.788 0.000 . 1 . . . . . 198 ILE CA . 51165 2 510 . 1 . 1 174 174 ILE N N 15 113.483 0.003 . 1 . . . . . 198 ILE N . 51165 2 511 . 1 . 1 175 175 TYR H H 1 9.085 0.001 . 1 . . . . . 199 TYR H . 51165 2 512 . 1 . 1 175 175 TYR N N 15 128.983 0.022 . 1 . . . . . 199 TYR N . 51165 2 513 . 1 . 1 176 176 GLU C C 13 176.393 0.000 . 1 . . . . . 200 GLU C . 51165 2 514 . 1 . 1 177 177 LEU H H 1 8.372 0.005 . 1 . . . . . 201 LEU H . 51165 2 515 . 1 . 1 177 177 LEU N N 15 121.169 0.003 . 1 . . . . . 201 LEU N . 51165 2 516 . 1 . 1 178 178 SER H H 1 8.561 0.004 . 1 . . . . . 202 SER H . 51165 2 517 . 1 . 1 178 178 SER CA C 13 59.299 0.000 . 1 . . . . . 202 SER CA . 51165 2 518 . 1 . 1 178 178 SER N N 15 108.662 0.005 . 1 . . . . . 202 SER N . 51165 2 519 . 1 . 1 179 179 ARG H H 1 7.715 0.011 . 1 . . . . . 203 ARG H . 51165 2 520 . 1 . 1 179 179 ARG C C 13 175.709 0.000 . 1 . . . . . 203 ARG C . 51165 2 521 . 1 . 1 179 179 ARG CA C 13 56.395 0.000 . 1 . . . . . 203 ARG CA . 51165 2 522 . 1 . 1 179 179 ARG N N 15 124.743 0.009 . 1 . . . . . 203 ARG N . 51165 2 523 . 1 . 1 180 180 THR H H 1 8.345 0.001 . 1 . . . . . 204 THR H . 51165 2 524 . 1 . 1 180 180 THR N N 15 114.460 0.002 . 1 . . . . . 204 THR N . 51165 2 525 . 1 . 1 181 181 SER H H 1 7.526 0.005 . 1 . . . . . 205 SER H . 51165 2 526 . 1 . 1 181 181 SER CA C 13 56.546 0.010 . 1 . . . . . 205 SER CA . 51165 2 527 . 1 . 1 181 181 SER CB C 13 65.336 0.000 . 1 . . . . . 205 SER CB . 51165 2 528 . 1 . 1 181 181 SER N N 15 115.722 0.012 . 1 . . . . . 205 SER N . 51165 2 529 . 1 . 1 186 186 ALA H H 1 8.224 0.006 . 1 . . . . . 210 ALA H . 51165 2 530 . 1 . 1 186 186 ALA N N 15 126.837 0.003 . 1 . . . . . 210 ALA N . 51165 2 531 . 1 . 1 188 188 ALA C C 13 177.328 0.000 . 1 . . . . . 212 ALA C . 51165 2 532 . 1 . 1 189 189 ASP H H 1 7.944 0.001 . 1 . . . . . 213 ASP H . 51165 2 533 . 1 . 1 189 189 ASP CA C 13 52.212 0.000 . 1 . . . . . 213 ASP CA . 51165 2 534 . 1 . 1 189 189 ASP N N 15 118.832 0.005 . 1 . . . . . 213 ASP N . 51165 2 535 . 1 . 1 190 190 LEU H H 1 8.700 0.004 . 1 . . . . . 214 LEU H . 51165 2 536 . 1 . 1 190 190 LEU C C 13 178.098 0.000 . 1 . . . . . 214 LEU C . 51165 2 537 . 1 . 1 190 190 LEU CA C 13 58.411 0.014 . 1 . . . . . 214 LEU CA . 51165 2 538 . 1 . 1 190 190 LEU CB C 13 41.335 0.000 . 1 . . . . . 214 LEU CB . 51165 2 539 . 1 . 1 190 190 LEU N N 15 122.446 0.023 . 1 . . . . . 214 LEU N . 51165 2 540 . 1 . 1 191 191 ALA H H 1 7.934 0.003 . 1 . . . . . 215 ALA H . 51165 2 541 . 1 . 1 191 191 ALA C C 13 179.776 0.026 . 1 . . . . . 215 ALA C . 51165 2 542 . 1 . 1 191 191 ALA CA C 13 54.273 0.032 . 1 . . . . . 215 ALA CA . 51165 2 543 . 1 . 1 191 191 ALA CB C 13 18.607 0.022 . 1 . . . . . 215 ALA CB . 51165 2 544 . 1 . 1 191 191 ALA N N 15 118.689 0.010 . 1 . . . . . 215 ALA N . 51165 2 545 . 1 . 1 192 192 GLU H H 1 7.680 0.009 . 1 . . . . . 216 GLU H . 51165 2 546 . 1 . 1 192 192 GLU C C 13 177.498 0.000 . 1 . . . . . 216 GLU C . 51165 2 547 . 1 . 1 192 192 GLU CA C 13 54.212 0.099 . 1 . . . . . 216 GLU CA . 51165 2 548 . 1 . 1 192 192 GLU CB C 13 30.509 0.000 . 1 . . . . . 216 GLU CB . 51165 2 549 . 1 . 1 192 192 GLU N N 15 117.862 0.034 . 1 . . . . . 216 GLU N . 51165 2 550 . 1 . 1 194 194 PRO C C 13 179.291 0.000 . 1 . . . . . 218 PRO C . 51165 2 551 . 1 . 1 194 194 PRO CA C 13 66.782 0.000 . 1 . . . . . 218 PRO CA . 51165 2 552 . 1 . 1 194 194 PRO CB C 13 31.261 0.000 . 1 . . . . . 218 PRO CB . 51165 2 553 . 1 . 1 195 195 THR H H 1 7.501 0.006 . 1 . . . . . 219 THR H . 51165 2 554 . 1 . 1 195 195 THR CA C 13 66.368 0.019 . 1 . . . . . 219 THR CA . 51165 2 555 . 1 . 1 195 195 THR N N 15 117.893 0.048 . 1 . . . . . 219 THR N . 51165 2 556 . 1 . 1 196 196 SER H H 1 8.926 0.008 . 1 . . . . . 220 SER H . 51165 2 557 . 1 . 1 196 196 SER C C 13 176.599 0.000 . 1 . . . . . 220 SER C . 51165 2 558 . 1 . 1 196 196 SER CA C 13 62.085 0.011 . 1 . . . . . 220 SER CA . 51165 2 559 . 1 . 1 196 196 SER N N 15 122.335 0.005 . 1 . . . . . 220 SER N . 51165 2 560 . 1 . 1 197 197 ILE H H 1 8.320 0.001 . 1 . . . . . 221 ILE H . 51165 2 561 . 1 . 1 197 197 ILE C C 13 177.811 0.000 . 1 . . . . . 221 ILE C . 51165 2 562 . 1 . 1 197 197 ILE CA C 13 64.825 0.117 . 1 . . . . . 221 ILE CA . 51165 2 563 . 1 . 1 197 197 ILE CB C 13 35.582 0.000 . 1 . . . . . 221 ILE CB . 51165 2 564 . 1 . 1 197 197 ILE N N 15 120.518 0.014 . 1 . . . . . 221 ILE N . 51165 2 565 . 1 . 1 198 198 GLU H H 1 7.934 0.003 . 1 . . . . . 222 GLU H . 51165 2 566 . 1 . 1 198 198 GLU C C 13 179.246 0.002 . 1 . . . . . 222 GLU C . 51165 2 567 . 1 . 1 198 198 GLU CA C 13 59.855 0.001 . 1 . . . . . 222 GLU CA . 51165 2 568 . 1 . 1 198 198 GLU CB C 13 28.814 0.039 . 1 . . . . . 222 GLU CB . 51165 2 569 . 1 . 1 198 198 GLU N N 15 122.087 0.031 . 1 . . . . . 222 GLU N . 51165 2 570 . 1 . 1 199 199 ARG H H 1 8.217 0.002 . 1 . . . . . 223 ARG H . 51165 2 571 . 1 . 1 199 199 ARG C C 13 179.939 0.000 . 1 . . . . . 223 ARG C . 51165 2 572 . 1 . 1 199 199 ARG CA C 13 60.787 0.055 . 1 . . . . . 223 ARG CA . 51165 2 573 . 1 . 1 199 199 ARG N N 15 117.902 0.042 . 1 . . . . . 223 ARG N . 51165 2 574 . 1 . 1 200 200 ILE H H 1 7.851 0.003 . 1 . . . . . 224 ILE H . 51165 2 575 . 1 . 1 200 200 ILE C C 13 176.786 0.000 . 1 . . . . . 224 ILE C . 51165 2 576 . 1 . 1 200 200 ILE CA C 13 66.401 0.029 . 1 . . . . . 224 ILE CA . 51165 2 577 . 1 . 1 200 200 ILE N N 15 119.064 0.016 . 1 . . . . . 224 ILE N . 51165 2 578 . 1 . 1 201 201 GLN H H 1 8.343 0.004 . 1 . . . . . 225 GLN H . 51165 2 579 . 1 . 1 201 201 GLN C C 13 177.658 0.004 . 1 . . . . . 225 GLN C . 51165 2 580 . 1 . 1 201 201 GLN CA C 13 59.119 0.052 . 1 . . . . . 225 GLN CA . 51165 2 581 . 1 . 1 201 201 GLN N N 15 119.103 0.004 . 1 . . . . . 225 GLN N . 51165 2 582 . 1 . 1 202 202 GLN H H 1 8.119 0.006 . 1 . . . . . 226 GLN H . 51165 2 583 . 1 . 1 202 202 GLN C C 13 177.402 0.008 . 1 . . . . . 226 GLN C . 51165 2 584 . 1 . 1 202 202 GLN CA C 13 57.582 0.048 . 1 . . . . . 226 GLN CA . 51165 2 585 . 1 . 1 202 202 GLN CB C 13 28.329 0.000 . 1 . . . . . 226 GLN CB . 51165 2 586 . 1 . 1 202 202 GLN N N 15 113.656 0.024 . 1 . . . . . 226 GLN N . 51165 2 587 . 1 . 1 203 203 HIS H H 1 7.586 0.003 . 1 . . . . . 227 HIS H . 51165 2 588 . 1 . 1 203 203 HIS C C 13 174.311 0.002 . 1 . . . . . 227 HIS C . 51165 2 589 . 1 . 1 203 203 HIS CA C 13 57.658 0.030 . 1 . . . . . 227 HIS CA . 51165 2 590 . 1 . 1 203 203 HIS CB C 13 29.467 0.000 . 1 . . . . . 227 HIS CB . 51165 2 591 . 1 . 1 203 203 HIS N N 15 117.030 0.027 . 1 . . . . . 227 HIS N . 51165 2 592 . 1 . 1 204 204 TYR H H 1 7.539 0.003 . 1 . . . . . 228 TYR H . 51165 2 593 . 1 . 1 204 204 TYR C C 13 173.222 0.000 . 1 . . . . . 228 TYR C . 51165 2 594 . 1 . 1 204 204 TYR CA C 13 55.369 0.038 . 1 . . . . . 228 TYR CA . 51165 2 595 . 1 . 1 204 204 TYR CB C 13 38.190 0.000 . 1 . . . . . 228 TYR CB . 51165 2 596 . 1 . 1 204 204 TYR N N 15 115.093 0.041 . 1 . . . . . 228 TYR N . 51165 2 597 . 1 . 1 205 205 PRO C C 13 177.943 0.000 . 1 . . . . . 229 PRO C . 51165 2 598 . 1 . 1 205 205 PRO CA C 13 64.561 0.000 . 1 . . . . . 229 PRO CA . 51165 2 599 . 1 . 1 205 205 PRO CB C 13 31.893 0.000 . 1 . . . . . 229 PRO CB . 51165 2 600 . 1 . 1 206 206 GLU H H 1 8.446 0.004 . 1 . . . . . 230 GLU H . 51165 2 601 . 1 . 1 206 206 GLU C C 13 176.070 0.007 . 1 . . . . . 230 GLU C . 51165 2 602 . 1 . 1 206 206 GLU CA C 13 54.950 0.039 . 1 . . . . . 230 GLU CA . 51165 2 603 . 1 . 1 206 206 GLU CB C 13 29.488 0.075 . 1 . . . . . 230 GLU CB . 51165 2 604 . 1 . 1 206 206 GLU N N 15 117.151 0.026 . 1 . . . . . 230 GLU N . 51165 2 605 . 1 . 1 207 207 ALA H H 1 7.127 0.003 . 1 . . . . . 231 ALA H . 51165 2 606 . 1 . 1 207 207 ALA C C 13 176.602 0.018 . 1 . . . . . 231 ALA C . 51165 2 607 . 1 . 1 207 207 ALA CA C 13 53.819 0.039 . 1 . . . . . 231 ALA CA . 51165 2 608 . 1 . 1 207 207 ALA CB C 13 19.272 0.091 . 1 . . . . . 231 ALA CB . 51165 2 609 . 1 . 1 207 207 ALA N N 15 122.074 0.015 . 1 . . . . . 231 ALA N . 51165 2 610 . 1 . 1 208 208 GLN H H 1 8.740 0.006 . 1 . . . . . 232 GLN H . 51165 2 611 . 1 . 1 208 208 GLN C C 13 175.184 0.008 . 1 . . . . . 232 GLN C . 51165 2 612 . 1 . 1 208 208 GLN CA C 13 56.259 0.000 . 1 . . . . . 232 GLN CA . 51165 2 613 . 1 . 1 208 208 GLN N N 15 120.501 0.019 . 1 . . . . . 232 GLN N . 51165 2 614 . 1 . 1 209 209 PHE H H 1 7.607 0.003 . 1 . . . . . 233 PHE H . 51165 2 615 . 1 . 1 209 209 PHE C C 13 173.974 0.021 . 1 . . . . . 233 PHE C . 51165 2 616 . 1 . 1 209 209 PHE CA C 13 56.774 0.028 . 1 . . . . . 233 PHE CA . 51165 2 617 . 1 . 1 209 209 PHE CB C 13 42.759 0.000 . 1 . . . . . 233 PHE CB . 51165 2 618 . 1 . 1 209 209 PHE N N 15 117.730 0.021 . 1 . . . . . 233 PHE N . 51165 2 619 . 1 . 1 210 210 VAL H H 1 9.208 0.002 . 1 . . . . . 234 VAL H . 51165 2 620 . 1 . 1 210 210 VAL CA C 13 60.476 0.000 . 1 . . . . . 234 VAL CA . 51165 2 621 . 1 . 1 210 210 VAL N N 15 125.297 0.004 . 1 . . . . . 234 VAL N . 51165 2 622 . 1 . 1 211 211 ILE H H 1 9.167 0.005 . 1 . . . . . 235 ILE H . 51165 2 623 . 1 . 1 211 211 ILE N N 15 126.607 0.022 . 1 . . . . . 235 ILE N . 51165 2 624 . 1 . 1 213 213 GLY H H 1 7.396 0.002 . 1 . . . . . 237 GLY H . 51165 2 625 . 1 . 1 213 213 GLY C C 13 172.055 0.000 . 1 . . . . . 237 GLY C . 51165 2 626 . 1 . 1 213 213 GLY N N 15 108.470 0.053 . 1 . . . . . 237 GLY N . 51165 2 627 . 1 . 1 214 214 HIS C C 13 173.917 0.000 . 1 . . . . . 238 HIS C . 51165 2 628 . 1 . 1 215 215 GLY H H 1 9.288 0.003 . 1 . . . . . 239 GLY H . 51165 2 629 . 1 . 1 215 215 GLY N N 15 112.240 0.025 . 1 . . . . . 239 GLY N . 51165 2 630 . 1 . 1 216 216 LEU H H 1 7.755 0.002 . 1 . . . . . 240 LEU H . 51165 2 631 . 1 . 1 216 216 LEU N N 15 118.858 0.020 . 1 . . . . . 240 LEU N . 51165 2 632 . 1 . 1 217 217 PRO C C 13 176.069 0.000 . 1 . . . . . 241 PRO C . 51165 2 633 . 1 . 1 217 217 PRO CA C 13 62.129 0.000 . 1 . . . . . 241 PRO CA . 51165 2 634 . 1 . 1 218 218 GLY H H 1 8.496 0.002 . 1 . . . . . 242 GLY H . 51165 2 635 . 1 . 1 218 218 GLY CA C 13 46.394 0.001 . 1 . . . . . 242 GLY CA . 51165 2 636 . 1 . 1 218 218 GLY N N 15 109.245 0.006 . 1 . . . . . 242 GLY N . 51165 2 637 . 1 . 1 219 219 GLY H H 1 8.450 0.008 . 1 . . . . . 243 GLY H . 51165 2 638 . 1 . 1 219 219 GLY C C 13 174.835 0.030 . 1 . . . . . 243 GLY C . 51165 2 639 . 1 . 1 219 219 GLY CA C 13 44.034 0.042 . 1 . . . . . 243 GLY CA . 51165 2 640 . 1 . 1 219 219 GLY N N 15 114.866 0.030 . 1 . . . . . 243 GLY N . 51165 2 641 . 1 . 1 220 220 LEU H H 1 8.855 0.002 . 1 . . . . . 244 LEU H . 51165 2 642 . 1 . 1 220 220 LEU CA C 13 57.726 0.000 . 1 . . . . . 244 LEU CA . 51165 2 643 . 1 . 1 220 220 LEU N N 15 120.793 0.013 . 1 . . . . . 244 LEU N . 51165 2 644 . 1 . 1 221 221 ASP H H 1 9.579 0.006 . 1 . . . . . 245 ASP H . 51165 2 645 . 1 . 1 221 221 ASP C C 13 178.388 0.013 . 1 . . . . . 245 ASP C . 51165 2 646 . 1 . 1 221 221 ASP CA C 13 56.424 0.000 . 1 . . . . . 245 ASP CA . 51165 2 647 . 1 . 1 221 221 ASP CB C 13 38.259 0.000 . 1 . . . . . 245 ASP CB . 51165 2 648 . 1 . 1 221 221 ASP N N 15 120.475 0.041 . 1 . . . . . 245 ASP N . 51165 2 649 . 1 . 1 222 222 LEU H H 1 8.317 0.006 . 1 . . . . . 246 LEU H . 51165 2 650 . 1 . 1 222 222 LEU C C 13 180.314 0.000 . 1 . . . . . 246 LEU C . 51165 2 651 . 1 . 1 222 222 LEU CA C 13 59.668 0.018 . 1 . . . . . 246 LEU CA . 51165 2 652 . 1 . 1 222 222 LEU N N 15 120.538 0.032 . 1 . . . . . 246 LEU N . 51165 2 653 . 1 . 1 223 223 LEU H H 1 8.155 0.010 . 1 . . . . . 247 LEU H . 51165 2 654 . 1 . 1 223 223 LEU C C 13 177.349 0.006 . 1 . . . . . 247 LEU C . 51165 2 655 . 1 . 1 223 223 LEU CA C 13 60.443 0.067 . 1 . . . . . 247 LEU CA . 51165 2 656 . 1 . 1 223 223 LEU N N 15 122.765 0.013 . 1 . . . . . 247 LEU N . 51165 2 657 . 1 . 1 224 224 LYS H H 1 6.890 0.006 . 1 . . . . . 248 LYS H . 51165 2 658 . 1 . 1 224 224 LYS CA C 13 58.954 0.004 . 1 . . . . . 248 LYS CA . 51165 2 659 . 1 . 1 224 224 LYS N N 15 120.060 0.028 . 1 . . . . . 248 LYS N . 51165 2 660 . 1 . 1 225 225 HIS H H 1 8.160 0.003 . 1 . . . . . 249 HIS H . 51165 2 661 . 1 . 1 225 225 HIS C C 13 176.402 0.000 . 1 . . . . . 249 HIS C . 51165 2 662 . 1 . 1 225 225 HIS CA C 13 60.009 0.068 . 1 . . . . . 249 HIS CA . 51165 2 663 . 1 . 1 225 225 HIS N N 15 117.553 0.007 . 1 . . . . . 249 HIS N . 51165 2 664 . 1 . 1 226 226 THR H H 1 7.894 0.002 . 1 . . . . . 250 THR H . 51165 2 665 . 1 . 1 226 226 THR C C 13 175.040 0.000 . 1 . . . . . 250 THR C . 51165 2 666 . 1 . 1 226 226 THR CA C 13 68.574 0.000 . 1 . . . . . 250 THR CA . 51165 2 667 . 1 . 1 226 226 THR N N 15 114.001 0.013 . 1 . . . . . 250 THR N . 51165 2 668 . 1 . 1 227 227 THR H H 1 7.684 0.006 . 1 . . . . . 251 THR H . 51165 2 669 . 1 . 1 227 227 THR CA C 13 67.933 0.000 . 1 . . . . . 251 THR CA . 51165 2 670 . 1 . 1 227 227 THR CB C 13 69.061 0.000 . 1 . . . . . 251 THR CB . 51165 2 671 . 1 . 1 227 227 THR N N 15 116.589 0.017 . 1 . . . . . 251 THR N . 51165 2 672 . 1 . 1 228 228 ASN H H 1 7.826 0.007 . 1 . . . . . 252 ASN H . 51165 2 673 . 1 . 1 228 228 ASN C C 13 178.257 0.000 . 1 . . . . . 252 ASN C . 51165 2 674 . 1 . 1 228 228 ASN CA C 13 56.179 0.028 . 1 . . . . . 252 ASN CA . 51165 2 675 . 1 . 1 228 228 ASN CB C 13 37.240 0.000 . 1 . . . . . 252 ASN CB . 51165 2 676 . 1 . 1 228 228 ASN N N 15 119.611 0.033 . 1 . . . . . 252 ASN N . 51165 2 677 . 1 . 1 230 230 VAL H H 1 8.083 0.001 . 1 . . . . . 254 VAL H . 51165 2 678 . 1 . 1 230 230 VAL C C 13 178.944 0.000 . 1 . . . . . 254 VAL C . 51165 2 679 . 1 . 1 230 230 VAL CA C 13 66.902 0.068 . 1 . . . . . 254 VAL CA . 51165 2 680 . 1 . 1 230 230 VAL N N 15 119.164 0.016 . 1 . . . . . 254 VAL N . 51165 2 681 . 1 . 1 231 231 LYS H H 1 8.431 0.009 . 1 . . . . . 255 LYS H . 51165 2 682 . 1 . 1 231 231 LYS C C 13 178.597 0.050 . 1 . . . . . 255 LYS C . 51165 2 683 . 1 . 1 231 231 LYS CA C 13 59.752 0.092 . 1 . . . . . 255 LYS CA . 51165 2 684 . 1 . 1 231 231 LYS N N 15 119.614 0.046 . 1 . . . . . 255 LYS N . 51165 2 685 . 1 . 1 232 232 ALA H H 1 7.706 0.004 . 1 . . . . . 256 ALA H . 51165 2 686 . 1 . 1 232 232 ALA C C 13 179.124 0.004 . 1 . . . . . 256 ALA C . 51165 2 687 . 1 . 1 232 232 ALA CA C 13 53.981 0.018 . 1 . . . . . 256 ALA CA . 51165 2 688 . 1 . 1 232 232 ALA CB C 13 18.210 0.000 . 1 . . . . . 256 ALA CB . 51165 2 689 . 1 . 1 232 232 ALA N N 15 120.618 0.023 . 1 . . . . . 256 ALA N . 51165 2 690 . 1 . 1 233 233 HIS H H 1 7.776 0.001 . 1 . . . . . 257 HIS H . 51165 2 691 . 1 . 1 233 233 HIS CA C 13 59.393 0.040 . 1 . . . . . 257 HIS CA . 51165 2 692 . 1 . 1 233 233 HIS N N 15 118.420 0.019 . 1 . . . . . 257 HIS N . 51165 2 693 . 1 . 1 234 234 THR H H 1 7.760 0.005 . 1 . . . . . 258 THR H . 51165 2 694 . 1 . 1 234 234 THR C C 13 174.633 0.005 . 1 . . . . . 258 THR C . 51165 2 695 . 1 . 1 234 234 THR CA C 13 63.316 0.062 . 1 . . . . . 258 THR CA . 51165 2 696 . 1 . 1 234 234 THR CB C 13 69.737 0.000 . 1 . . . . . 258 THR CB . 51165 2 697 . 1 . 1 234 234 THR N N 15 112.382 0.040 . 1 . . . . . 258 THR N . 51165 2 698 . 1 . 1 235 235 ASN H H 1 8.097 0.007 . 1 . . . . . 259 ASN H . 51165 2 699 . 1 . 1 235 235 ASN C C 13 175.123 0.000 . 1 . . . . . 259 ASN C . 51165 2 700 . 1 . 1 235 235 ASN CA C 13 53.761 0.015 . 1 . . . . . 259 ASN CA . 51165 2 701 . 1 . 1 235 235 ASN CB C 13 38.546 0.000 . 1 . . . . . 259 ASN CB . 51165 2 702 . 1 . 1 235 235 ASN N N 15 120.312 0.038 . 1 . . . . . 259 ASN N . 51165 2 703 . 1 . 1 236 236 ARG H H 1 7.964 0.003 . 1 . . . . . 260 ARG H . 51165 2 704 . 1 . 1 236 236 ARG C C 13 176.209 0.003 . 1 . . . . . 260 ARG C . 51165 2 705 . 1 . 1 236 236 ARG CA C 13 56.366 0.037 . 1 . . . . . 260 ARG CA . 51165 2 706 . 1 . 1 236 236 ARG CB C 13 30.674 0.100 . 1 . . . . . 260 ARG CB . 51165 2 707 . 1 . 1 236 236 ARG N N 15 120.670 0.015 . 1 . . . . . 260 ARG N . 51165 2 708 . 1 . 1 237 237 SER H H 1 8.282 0.002 . 1 . . . . . 261 SER H . 51165 2 709 . 1 . 1 237 237 SER C C 13 174.276 0.014 . 1 . . . . . 261 SER C . 51165 2 710 . 1 . 1 237 237 SER CA C 13 58.622 0.013 . 1 . . . . . 261 SER CA . 51165 2 711 . 1 . 1 237 237 SER CB C 13 63.930 0.008 . 1 . . . . . 261 SER CB . 51165 2 712 . 1 . 1 237 237 SER N N 15 116.610 0.021 . 1 . . . . . 261 SER N . 51165 2 713 . 1 . 1 238 238 VAL H H 1 8.060 0.002 . 1 . . . . . 262 VAL H . 51165 2 714 . 1 . 1 238 238 VAL C C 13 175.836 0.002 . 1 . . . . . 262 VAL C . 51165 2 715 . 1 . 1 238 238 VAL CA C 13 62.227 0.037 . 1 . . . . . 262 VAL CA . 51165 2 716 . 1 . 1 238 238 VAL CB C 13 32.800 0.026 . 1 . . . . . 262 VAL CB . 51165 2 717 . 1 . 1 238 238 VAL N N 15 121.525 0.017 . 1 . . . . . 262 VAL N . 51165 2 718 . 1 . 1 239 239 VAL H H 1 8.183 0.001 . 1 . . . . . 263 VAL H . 51165 2 719 . 1 . 1 239 239 VAL C C 13 175.068 0.000 . 1 . . . . . 263 VAL C . 51165 2 720 . 1 . 1 239 239 VAL CA C 13 62.384 0.039 . 1 . . . . . 263 VAL CA . 51165 2 721 . 1 . 1 239 239 VAL CB C 13 32.829 0.000 . 1 . . . . . 263 VAL CB . 51165 2 722 . 1 . 1 239 239 VAL N N 15 124.012 0.008 . 1 . . . . . 263 VAL N . 51165 2 723 . 1 . 1 240 240 GLU H H 1 7.977 0.001 . 1 . . . . . 264 GLU H . 51165 2 724 . 1 . 1 240 240 GLU C C 13 180.789 0.000 . 1 . . . . . 264 GLU C . 51165 2 725 . 1 . 1 240 240 GLU CA C 13 58.159 0.019 . 1 . . . . . 264 GLU CA . 51165 2 726 . 1 . 1 240 240 GLU CB C 13 31.360 0.000 . 1 . . . . . 264 GLU CB . 51165 2 727 . 1 . 1 240 240 GLU N N 15 129.969 0.009 . 1 . . . . . 264 GLU N . 51165 2 stop_ save_ save_assigned_chemical_shifts_3 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_3 _Assigned_chem_shift_list.Entry_ID 51165 _Assigned_chem_shift_list.ID 3 _Assigned_chem_shift_list.Name Assignment_VIM-2_EtOH_L-captopril _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 14 '2D 1H-15N HSQC' . . . 51165 3 15 '3D HNCO' . . . 51165 3 16 '3D HN(CA)CO' . . . 51165 3 17 '3D HNCA' . . . 51165 3 18 '3D HNCACB' . . . 51165 3 19 '3D HN(CO)CACB' . . . 51165 3 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51165 3 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 VAL C C 13 175.907 0.000 . 1 . . . . . 25 VAL C . 51165 3 2 . 1 . 1 1 1 VAL CA C 13 62.630 0.001 . 1 . . . . . 25 VAL CA . 51165 3 3 . 1 . 1 1 1 VAL CB C 13 32.592 0.000 . 1 . . . . . 25 VAL CB . 51165 3 4 . 1 . 1 2 2 ASP H H 1 8.536 0.001 . 1 . . . . . 26 ASP H . 51165 3 5 . 1 . 1 2 2 ASP C C 13 176.291 0.002 . 1 . . . . . 26 ASP C . 51165 3 6 . 1 . 1 2 2 ASP CA C 13 54.469 0.165 . 1 . . . . . 26 ASP CA . 51165 3 7 . 1 . 1 2 2 ASP CB C 13 41.305 0.006 . 1 . . . . . 26 ASP CB . 51165 3 8 . 1 . 1 2 2 ASP N N 15 123.062 0.013 . 1 . . . . . 26 ASP N . 51165 3 9 . 1 . 1 3 3 SER H H 1 8.231 0.002 . 1 . . . . . 27 SER H . 51165 3 10 . 1 . 1 3 3 SER C C 13 174.898 0.001 . 1 . . . . . 27 SER C . 51165 3 11 . 1 . 1 3 3 SER CA C 13 58.483 0.072 . 1 . . . . . 27 SER CA . 51165 3 12 . 1 . 1 3 3 SER CB C 13 63.948 0.004 . 1 . . . . . 27 SER CB . 51165 3 13 . 1 . 1 3 3 SER N N 15 116.025 0.021 . 1 . . . . . 27 SER N . 51165 3 14 . 1 . 1 4 4 SER H H 1 8.502 0.003 . 1 . . . . . 28 SER H . 51165 3 15 . 1 . 1 4 4 SER C C 13 175.022 0.028 . 1 . . . . . 28 SER C . 51165 3 16 . 1 . 1 4 4 SER CA C 13 59.233 0.034 . 1 . . . . . 28 SER CA . 51165 3 17 . 1 . 1 4 4 SER CB C 13 63.953 0.011 . 1 . . . . . 28 SER CB . 51165 3 18 . 1 . 1 4 4 SER N N 15 118.101 0.008 . 1 . . . . . 28 SER N . 51165 3 19 . 1 . 1 5 5 GLY H H 1 8.419 0.001 . 1 . . . . . 29 GLY H . 51165 3 20 . 1 . 1 5 5 GLY C C 13 174.220 0.017 . 1 . . . . . 29 GLY C . 51165 3 21 . 1 . 1 5 5 GLY CA C 13 45.266 0.011 . 1 . . . . . 29 GLY CA . 51165 3 22 . 1 . 1 5 5 GLY N N 15 110.286 0.036 . 1 . . . . . 29 GLY N . 51165 3 23 . 1 . 1 6 6 GLU H H 1 8.449 0.002 . 1 . . . . . 30 GLU H . 51165 3 24 . 1 . 1 6 6 GLU C C 13 175.856 0.001 . 1 . . . . . 30 GLU C . 51165 3 25 . 1 . 1 6 6 GLU CA C 13 56.058 0.043 . 1 . . . . . 30 GLU CA . 51165 3 26 . 1 . 1 6 6 GLU CB C 13 30.663 0.042 . 1 . . . . . 30 GLU CB . 51165 3 27 . 1 . 1 6 6 GLU N N 15 121.014 0.024 . 1 . . . . . 30 GLU N . 51165 3 28 . 1 . 1 7 7 TYR H H 1 8.636 0.008 . 1 . . . . . 31 TYR H . 51165 3 29 . 1 . 1 7 7 TYR C C 13 174.542 0.000 . 1 . . . . . 31 TYR C . 51165 3 30 . 1 . 1 7 7 TYR CA C 13 57.663 0.072 . 1 . . . . . 31 TYR CA . 51165 3 31 . 1 . 1 7 7 TYR N N 15 127.826 0.048 . 1 . . . . . 31 TYR N . 51165 3 32 . 1 . 1 8 8 PRO C C 13 174.572 0.000 . 1 . . . . . 32 PRO C . 51165 3 33 . 1 . 1 8 8 PRO CA C 13 63.595 0.135 . 1 . . . . . 32 PRO CA . 51165 3 34 . 1 . 1 9 9 THR H H 1 7.825 0.006 . 1 . . . . . 33 THR H . 51165 3 35 . 1 . 1 9 9 THR C C 13 176.266 0.101 . 1 . . . . . 33 THR C . 51165 3 36 . 1 . 1 9 9 THR CA C 13 59.604 0.034 . 1 . . . . . 33 THR CA . 51165 3 37 . 1 . 1 9 9 THR CB C 13 71.938 0.000 . 1 . . . . . 33 THR CB . 51165 3 38 . 1 . 1 9 9 THR N N 15 110.110 0.018 . 1 . . . . . 33 THR N . 51165 3 39 . 1 . 1 10 10 VAL H H 1 8.503 0.006 . 1 . . . . . 34 VAL H . 51165 3 40 . 1 . 1 10 10 VAL C C 13 179.092 0.000 . 1 . . . . . 34 VAL C . 51165 3 41 . 1 . 1 10 10 VAL CA C 13 65.015 0.000 . 1 . . . . . 34 VAL CA . 51165 3 42 . 1 . 1 10 10 VAL N N 15 117.396 0.015 . 1 . . . . . 34 VAL N . 51165 3 43 . 1 . 1 11 11 SER H H 1 8.175 0.002 . 1 . . . . . 35 SER H . 51165 3 44 . 1 . 1 11 11 SER C C 13 175.057 0.000 . 1 . . . . . 35 SER C . 51165 3 45 . 1 . 1 11 11 SER CA C 13 60.459 0.000 . 1 . . . . . 35 SER CA . 51165 3 46 . 1 . 1 11 11 SER CB C 13 62.655 0.000 . 1 . . . . . 35 SER CB . 51165 3 47 . 1 . 1 11 11 SER N N 15 111.081 0.030 . 1 . . . . . 35 SER N . 51165 3 48 . 1 . 1 12 12 GLU H H 1 7.687 0.007 . 1 . . . . . 36 GLU H . 51165 3 49 . 1 . 1 12 12 GLU C C 13 175.547 0.021 . 1 . . . . . 36 GLU C . 51165 3 50 . 1 . 1 12 12 GLU CA C 13 56.369 0.040 . 1 . . . . . 36 GLU CA . 51165 3 51 . 1 . 1 12 12 GLU CB C 13 31.403 0.000 . 1 . . . . . 36 GLU CB . 51165 3 52 . 1 . 1 12 12 GLU N N 15 118.107 0.010 . 1 . . . . . 36 GLU N . 51165 3 53 . 1 . 1 13 13 ILE H H 1 6.962 0.005 . 1 . . . . . 37 ILE H . 51165 3 54 . 1 . 1 13 13 ILE CA C 13 58.806 0.000 . 1 . . . . . 37 ILE CA . 51165 3 55 . 1 . 1 13 13 ILE N N 15 119.495 0.011 . 1 . . . . . 37 ILE N . 51165 3 56 . 1 . 1 16 16 GLY C C 13 173.461 0.000 . 1 . . . . . 40 GLY C . 51165 3 57 . 1 . 1 16 16 GLY CA C 13 45.089 0.066 . 1 . . . . . 40 GLY CA . 51165 3 58 . 1 . 1 17 17 GLU H H 1 7.945 0.003 . 1 . . . . . 41 GLU H . 51165 3 59 . 1 . 1 17 17 GLU C C 13 174.572 0.002 . 1 . . . . . 41 GLU C . 51165 3 60 . 1 . 1 17 17 GLU CA C 13 55.046 0.137 . 1 . . . . . 41 GLU CA . 51165 3 61 . 1 . 1 17 17 GLU CB C 13 31.788 0.000 . 1 . . . . . 41 GLU CB . 51165 3 62 . 1 . 1 17 17 GLU N N 15 119.105 0.013 . 1 . . . . . 41 GLU N . 51165 3 63 . 1 . 1 18 18 VAL H H 1 8.238 0.007 . 1 . . . . . 42 VAL H . 51165 3 64 . 1 . 1 18 18 VAL C C 13 175.965 0.000 . 1 . . . . . 42 VAL C . 51165 3 65 . 1 . 1 18 18 VAL CA C 13 60.145 0.051 . 1 . . . . . 42 VAL CA . 51165 3 66 . 1 . 1 18 18 VAL N N 15 115.293 0.006 . 1 . . . . . 42 VAL N . 51165 3 67 . 1 . 1 19 19 ARG H H 1 9.092 0.009 . 1 . . . . . 43 ARG H . 51165 3 68 . 1 . 1 19 19 ARG C C 13 174.297 0.000 . 1 . . . . . 43 ARG C . 51165 3 69 . 1 . 1 19 19 ARG CA C 13 52.248 0.090 . 1 . . . . . 43 ARG CA . 51165 3 70 . 1 . 1 19 19 ARG CB C 13 33.481 0.000 . 1 . . . . . 43 ARG CB . 51165 3 71 . 1 . 1 19 19 ARG N N 15 121.860 0.047 . 1 . . . . . 43 ARG N . 51165 3 72 . 1 . 1 20 20 LEU H H 1 8.776 0.003 . 1 . . . . . 44 LEU H . 51165 3 73 . 1 . 1 20 20 LEU C C 13 176.870 0.000 . 1 . . . . . 44 LEU C . 51165 3 74 . 1 . 1 20 20 LEU CA C 13 53.092 0.063 . 1 . . . . . 44 LEU CA . 51165 3 75 . 1 . 1 20 20 LEU N N 15 118.514 0.049 . 1 . . . . . 44 LEU N . 51165 3 76 . 1 . 1 21 21 TYR H H 1 9.124 0.007 . 1 . . . . . 45 TYR H . 51165 3 77 . 1 . 1 21 21 TYR C C 13 174.349 0.000 . 1 . . . . . 45 TYR C . 51165 3 78 . 1 . 1 21 21 TYR CA C 13 57.357 0.137 . 1 . . . . . 45 TYR CA . 51165 3 79 . 1 . 1 21 21 TYR N N 15 123.883 0.015 . 1 . . . . . 45 TYR N . 51165 3 80 . 1 . 1 22 22 GLN H H 1 8.737 0.004 . 1 . . . . . 46 GLN H . 51165 3 81 . 1 . 1 22 22 GLN C C 13 173.767 0.053 . 1 . . . . . 46 GLN C . 51165 3 82 . 1 . 1 22 22 GLN CA C 13 57.610 0.037 . 1 . . . . . 46 GLN CA . 51165 3 83 . 1 . 1 22 22 GLN N N 15 129.381 0.019 . 1 . . . . . 46 GLN N . 51165 3 84 . 1 . 1 23 23 ILE H H 1 8.532 0.002 . 1 . . . . . 47 ILE H . 51165 3 85 . 1 . 1 23 23 ILE C C 13 174.607 0.000 . 1 . . . . . 47 ILE C . 51165 3 86 . 1 . 1 23 23 ILE CA C 13 57.295 0.067 . 1 . . . . . 47 ILE CA . 51165 3 87 . 1 . 1 23 23 ILE N N 15 129.367 0.006 . 1 . . . . . 47 ILE N . 51165 3 88 . 1 . 1 24 24 ALA H H 1 7.998 0.003 . 1 . . . . . 48 ALA H . 51165 3 89 . 1 . 1 24 24 ALA C C 13 175.648 0.008 . 1 . . . . . 48 ALA C . 51165 3 90 . 1 . 1 24 24 ALA CA C 13 50.117 0.012 . 1 . . . . . 48 ALA CA . 51165 3 91 . 1 . 1 24 24 ALA CB C 13 21.839 0.000 . 1 . . . . . 48 ALA CB . 51165 3 92 . 1 . 1 24 24 ALA N N 15 119.260 0.046 . 1 . . . . . 48 ALA N . 51165 3 93 . 1 . 1 25 25 ASP H H 1 8.495 0.013 . 1 . . . . . 49 ASP H . 51165 3 94 . 1 . 1 25 25 ASP C C 13 177.059 0.000 . 1 . . . . . 49 ASP C . 51165 3 95 . 1 . 1 25 25 ASP CA C 13 56.458 0.030 . 1 . . . . . 49 ASP CA . 51165 3 96 . 1 . 1 25 25 ASP CB C 13 40.241 0.000 . 1 . . . . . 49 ASP CB . 51165 3 97 . 1 . 1 25 25 ASP N N 15 120.167 0.052 . 1 . . . . . 49 ASP N . 51165 3 98 . 1 . 1 26 26 GLY H H 1 8.197 0.004 . 1 . . . . . 50 GLY H . 51165 3 99 . 1 . 1 26 26 GLY C C 13 172.903 0.000 . 1 . . . . . 50 GLY C . 51165 3 100 . 1 . 1 26 26 GLY CA C 13 46.596 0.041 . 1 . . . . . 50 GLY CA . 51165 3 101 . 1 . 1 26 26 GLY N N 15 112.946 0.031 . 1 . . . . . 50 GLY N . 51165 3 102 . 1 . 1 27 27 VAL H H 1 7.238 0.006 . 1 . . . . . 51 VAL H . 51165 3 103 . 1 . 1 27 27 VAL C C 13 173.494 0.008 . 1 . . . . . 51 VAL C . 51165 3 104 . 1 . 1 27 27 VAL CA C 13 61.770 0.014 . 1 . . . . . 51 VAL CA . 51165 3 105 . 1 . 1 27 27 VAL CB C 13 34.924 0.000 . 1 . . . . . 51 VAL CB . 51165 3 106 . 1 . 1 27 27 VAL N N 15 117.217 0.033 . 1 . . . . . 51 VAL N . 51165 3 107 . 1 . 1 28 28 TRP H H 1 9.745 0.004 . 1 . . . . . 52 TRP H . 51165 3 108 . 1 . 1 28 28 TRP C C 13 176.013 0.000 . 1 . . . . . 52 TRP C . 51165 3 109 . 1 . 1 28 28 TRP CA C 13 57.231 0.098 . 1 . . . . . 52 TRP CA . 51165 3 110 . 1 . 1 28 28 TRP N N 15 128.671 0.005 . 1 . . . . . 52 TRP N . 51165 3 111 . 1 . 1 29 29 SER H H 1 10.007 0.006 . 1 . . . . . 53 SER H . 51165 3 112 . 1 . 1 29 29 SER C C 13 174.085 0.000 . 1 . . . . . 53 SER C . 51165 3 113 . 1 . 1 29 29 SER CA C 13 57.032 0.023 . 1 . . . . . 53 SER CA . 51165 3 114 . 1 . 1 29 29 SER N N 15 115.888 0.043 . 1 . . . . . 53 SER N . 51165 3 115 . 1 . 1 30 30 HIS H H 1 7.842 0.012 . 1 . . . . . 54 HIS H . 51165 3 116 . 1 . 1 30 30 HIS C C 13 173.419 0.000 . 1 . . . . . 54 HIS C . 51165 3 117 . 1 . 1 30 30 HIS CA C 13 53.501 0.000 . 1 . . . . . 54 HIS CA . 51165 3 118 . 1 . 1 30 30 HIS N N 15 118.812 0.012 . 1 . . . . . 54 HIS N . 51165 3 119 . 1 . 1 31 31 ILE H H 1 9.118 0.007 . 1 . . . . . 55 ILE H . 51165 3 120 . 1 . 1 31 31 ILE C C 13 173.512 0.013 . 1 . . . . . 55 ILE C . 51165 3 121 . 1 . 1 31 31 ILE N N 15 120.920 0.014 . 1 . . . . . 55 ILE N . 51165 3 122 . 1 . 1 32 32 ALA H H 1 8.813 0.007 . 1 . . . . . 56 ALA H . 51165 3 123 . 1 . 1 32 32 ALA CA C 13 49.991 0.000 . 1 . . . . . 56 ALA CA . 51165 3 124 . 1 . 1 32 32 ALA N N 15 128.684 0.017 . 1 . . . . . 56 ALA N . 51165 3 125 . 1 . 1 37 37 ASP C C 13 175.748 0.000 . 1 . . . . . 61 ASP C . 51165 3 126 . 1 . 1 37 37 ASP CA C 13 55.109 0.090 . 1 . . . . . 61 ASP CA . 51165 3 127 . 1 . 1 37 37 ASP CB C 13 40.012 0.172 . 1 . . . . . 61 ASP CB . 51165 3 128 . 1 . 1 38 38 GLY H H 1 8.465 0.005 . 1 . . . . . 62 GLY H . 51165 3 129 . 1 . 1 38 38 GLY C C 13 173.935 0.580 . 1 . . . . . 62 GLY C . 51165 3 130 . 1 . 1 38 38 GLY CA C 13 45.589 0.024 . 1 . . . . . 62 GLY CA . 51165 3 131 . 1 . 1 38 38 GLY N N 15 103.867 0.073 . 1 . . . . . 62 GLY N . 51165 3 132 . 1 . 1 39 39 ALA H H 1 7.839 0.002 . 1 . . . . . 63 ALA H . 51165 3 133 . 1 . 1 39 39 ALA C C 13 174.806 0.014 . 1 . . . . . 63 ALA C . 51165 3 134 . 1 . 1 39 39 ALA CA C 13 50.549 0.062 . 1 . . . . . 63 ALA CA . 51165 3 135 . 1 . 1 39 39 ALA CB C 13 21.595 0.000 . 1 . . . . . 63 ALA CB . 51165 3 136 . 1 . 1 39 39 ALA N N 15 124.307 0.009 . 1 . . . . . 63 ALA N . 51165 3 137 . 1 . 1 40 40 VAL H H 1 7.892 0.006 . 1 . . . . . 64 VAL H . 51165 3 138 . 1 . 1 40 40 VAL C C 13 174.770 0.080 . 1 . . . . . 64 VAL C . 51165 3 139 . 1 . 1 40 40 VAL CA C 13 61.981 0.000 . 1 . . . . . 64 VAL CA . 51165 3 140 . 1 . 1 40 40 VAL N N 15 119.912 0.052 . 1 . . . . . 64 VAL N . 51165 3 141 . 1 . 1 41 41 TYR H H 1 9.012 0.002 . 1 . . . . . 65 TYR H . 51165 3 142 . 1 . 1 41 41 TYR N N 15 126.555 0.001 . 1 . . . . . 65 TYR N . 51165 3 143 . 1 . 1 44 44 ASN C C 13 174.704 0.000 . 1 . . . . . 68 ASN C . 51165 3 144 . 1 . 1 44 44 ASN CA C 13 52.049 0.000 . 1 . . . . . 68 ASN CA . 51165 3 145 . 1 . 1 45 45 GLY H H 1 8.175 0.007 . 1 . . . . . 69 GLY H . 51165 3 146 . 1 . 1 45 45 GLY CA C 13 43.530 0.008 . 1 . . . . . 69 GLY CA . 51165 3 147 . 1 . 1 45 45 GLY N N 15 107.658 0.048 . 1 . . . . . 69 GLY N . 51165 3 148 . 1 . 1 46 46 LEU C C 13 175.024 0.000 . 1 . . . . . 70 LEU C . 51165 3 149 . 1 . 1 46 46 LEU CA C 13 52.744 0.000 . 1 . . . . . 70 LEU CA . 51165 3 150 . 1 . 1 47 47 ILE H H 1 9.613 0.008 . 1 . . . . . 71 ILE H . 51165 3 151 . 1 . 1 47 47 ILE C C 13 174.966 0.000 . 1 . . . . . 71 ILE C . 51165 3 152 . 1 . 1 47 47 ILE CA C 13 61.075 0.030 . 1 . . . . . 71 ILE CA . 51165 3 153 . 1 . 1 47 47 ILE N N 15 123.313 0.005 . 1 . . . . . 71 ILE N . 51165 3 154 . 1 . 1 48 48 VAL H H 1 9.480 0.003 . 1 . . . . . 72 VAL H . 51165 3 155 . 1 . 1 48 48 VAL C C 13 175.026 0.008 . 1 . . . . . 72 VAL C . 51165 3 156 . 1 . 1 48 48 VAL CA C 13 60.462 0.043 . 1 . . . . . 72 VAL CA . 51165 3 157 . 1 . 1 48 48 VAL N N 15 125.958 0.018 . 1 . . . . . 72 VAL N . 51165 3 158 . 1 . 1 49 49 ARG H H 1 9.346 0.002 . 1 . . . . . 73 ARG H . 51165 3 159 . 1 . 1 49 49 ARG C C 13 173.970 0.000 . 1 . . . . . 73 ARG C . 51165 3 160 . 1 . 1 49 49 ARG CA C 13 57.890 0.052 . 1 . . . . . 73 ARG CA . 51165 3 161 . 1 . 1 49 49 ARG N N 15 128.048 0.036 . 1 . . . . . 73 ARG N . 51165 3 162 . 1 . 1 50 50 ASP H H 1 9.140 0.003 . 1 . . . . . 74 ASP H . 51165 3 163 . 1 . 1 50 50 ASP C C 13 175.494 0.000 . 1 . . . . . 74 ASP C . 51165 3 164 . 1 . 1 50 50 ASP CA C 13 51.836 0.000 . 1 . . . . . 74 ASP CA . 51165 3 165 . 1 . 1 50 50 ASP N N 15 129.257 0.025 . 1 . . . . . 74 ASP N . 51165 3 166 . 1 . 1 51 51 GLY H H 1 8.692 0.003 . 1 . . . . . 75 GLY H . 51165 3 167 . 1 . 1 51 51 GLY C C 13 173.938 0.000 . 1 . . . . . 75 GLY C . 51165 3 168 . 1 . 1 51 51 GLY CA C 13 47.578 0.008 . 1 . . . . . 75 GLY CA . 51165 3 169 . 1 . 1 51 51 GLY N N 15 113.174 0.003 . 1 . . . . . 75 GLY N . 51165 3 170 . 1 . 1 52 52 ASP H H 1 8.933 0.003 . 1 . . . . . 76 ASP H . 51165 3 171 . 1 . 1 52 52 ASP C C 13 173.449 0.024 . 1 . . . . . 76 ASP C . 51165 3 172 . 1 . 1 52 52 ASP CA C 13 54.222 0.006 . 1 . . . . . 76 ASP CA . 51165 3 173 . 1 . 1 52 52 ASP CB C 13 40.981 0.000 . 1 . . . . . 76 ASP CB . 51165 3 174 . 1 . 1 52 52 ASP N N 15 129.545 0.042 . 1 . . . . . 76 ASP N . 51165 3 175 . 1 . 1 53 53 GLU H H 1 7.685 0.004 . 1 . . . . . 77 GLU H . 51165 3 176 . 1 . 1 53 53 GLU C C 13 173.741 0.017 . 1 . . . . . 77 GLU C . 51165 3 177 . 1 . 1 53 53 GLU CA C 13 54.267 0.055 . 1 . . . . . 77 GLU CA . 51165 3 178 . 1 . 1 53 53 GLU CB C 13 33.693 0.000 . 1 . . . . . 77 GLU CB . 51165 3 179 . 1 . 1 53 53 GLU N N 15 116.828 0.018 . 1 . . . . . 77 GLU N . 51165 3 180 . 1 . 1 54 54 LEU H H 1 8.767 0.002 . 1 . . . . . 78 LEU H . 51165 3 181 . 1 . 1 54 54 LEU C C 13 174.987 0.000 . 1 . . . . . 78 LEU C . 51165 3 182 . 1 . 1 54 54 LEU CA C 13 53.536 0.165 . 1 . . . . . 78 LEU CA . 51165 3 183 . 1 . 1 54 54 LEU N N 15 116.428 0.011 . 1 . . . . . 78 LEU N . 51165 3 184 . 1 . 1 55 55 LEU H H 1 8.941 0.006 . 1 . . . . . 79 LEU H . 51165 3 185 . 1 . 1 55 55 LEU C C 13 174.180 0.000 . 1 . . . . . 79 LEU C . 51165 3 186 . 1 . 1 55 55 LEU CA C 13 53.671 0.144 . 1 . . . . . 79 LEU CA . 51165 3 187 . 1 . 1 55 55 LEU N N 15 123.588 0.026 . 1 . . . . . 79 LEU N . 51165 3 188 . 1 . 1 56 56 LEU H H 1 8.905 0.007 . 1 . . . . . 80 LEU H . 51165 3 189 . 1 . 1 56 56 LEU C C 13 174.098 0.000 . 1 . . . . . 80 LEU C . 51165 3 190 . 1 . 1 56 56 LEU CA C 13 53.540 0.112 . 1 . . . . . 80 LEU CA . 51165 3 191 . 1 . 1 56 56 LEU N N 15 128.669 0.022 . 1 . . . . . 80 LEU N . 51165 3 192 . 1 . 1 57 57 ILE H H 1 9.708 0.007 . 1 . . . . . 81 ILE H . 51165 3 193 . 1 . 1 57 57 ILE C C 13 175.220 0.000 . 1 . . . . . 81 ILE C . 51165 3 194 . 1 . 1 57 57 ILE CA C 13 59.208 0.000 . 1 . . . . . 81 ILE CA . 51165 3 195 . 1 . 1 57 57 ILE N N 15 127.268 0.010 . 1 . . . . . 81 ILE N . 51165 3 196 . 1 . 1 58 58 ASP H H 1 8.995 0.006 . 1 . . . . . 82 ASP H . 51165 3 197 . 1 . 1 58 58 ASP C C 13 174.806 0.000 . 1 . . . . . 82 ASP C . 51165 3 198 . 1 . 1 58 58 ASP N N 15 118.272 0.027 . 1 . . . . . 82 ASP N . 51165 3 199 . 1 . 1 59 59 THR H H 1 6.960 0.001 . 1 . . . . . 83 THR H . 51165 3 200 . 1 . 1 59 59 THR N N 15 105.251 0.002 . 1 . . . . . 83 THR N . 51165 3 201 . 1 . 1 70 70 LEU C C 13 179.959 0.000 . 1 . . . . . 94 LEU C . 51165 3 202 . 1 . 1 70 70 LEU CA C 13 58.340 0.028 . 1 . . . . . 94 LEU CA . 51165 3 203 . 1 . 1 70 70 LEU CB C 13 40.857 0.000 . 1 . . . . . 94 LEU CB . 51165 3 204 . 1 . 1 71 71 ALA H H 1 7.525 0.008 . 1 . . . . . 95 ALA H . 51165 3 205 . 1 . 1 71 71 ALA C C 13 180.149 0.019 . 1 . . . . . 95 ALA C . 51165 3 206 . 1 . 1 71 71 ALA CA C 13 55.140 0.058 . 1 . . . . . 95 ALA CA . 51165 3 207 . 1 . 1 71 71 ALA N N 15 121.978 0.050 . 1 . . . . . 95 ALA N . 51165 3 208 . 1 . 1 72 72 GLU H H 1 8.506 0.005 . 1 . . . . . 96 GLU H . 51165 3 209 . 1 . 1 72 72 GLU C C 13 179.239 0.015 . 1 . . . . . 96 GLU C . 51165 3 210 . 1 . 1 72 72 GLU CA C 13 58.751 0.099 . 1 . . . . . 96 GLU CA . 51165 3 211 . 1 . 1 72 72 GLU CB C 13 29.156 0.000 . 1 . . . . . 96 GLU CB . 51165 3 212 . 1 . 1 72 72 GLU N N 15 121.683 0.048 . 1 . . . . . 96 GLU N . 51165 3 213 . 1 . 1 73 73 ILE H H 1 8.636 0.008 . 1 . . . . . 97 ILE H . 51165 3 214 . 1 . 1 73 73 ILE C C 13 178.435 0.000 . 1 . . . . . 97 ILE C . 51165 3 215 . 1 . 1 73 73 ILE CA C 13 66.294 0.021 . 1 . . . . . 97 ILE CA . 51165 3 216 . 1 . 1 73 73 ILE N N 15 119.921 0.019 . 1 . . . . . 97 ILE N . 51165 3 217 . 1 . 1 74 74 GLU H H 1 7.735 0.004 . 1 . . . . . 98 GLU H . 51165 3 218 . 1 . 1 74 74 GLU C C 13 177.058 0.020 . 1 . . . . . 98 GLU C . 51165 3 219 . 1 . 1 74 74 GLU CA C 13 59.921 0.073 . 1 . . . . . 98 GLU CA . 51165 3 220 . 1 . 1 74 74 GLU CB C 13 28.896 0.000 . 1 . . . . . 98 GLU CB . 51165 3 221 . 1 . 1 74 74 GLU N N 15 122.610 0.014 . 1 . . . . . 98 GLU N . 51165 3 222 . 1 . 1 75 75 LYS H H 1 7.512 0.004 . 1 . . . . . 99 LYS H . 51165 3 223 . 1 . 1 75 75 LYS C C 13 178.180 0.041 . 1 . . . . . 99 LYS C . 51165 3 224 . 1 . 1 75 75 LYS CA C 13 58.977 0.036 . 1 . . . . . 99 LYS CA . 51165 3 225 . 1 . 1 75 75 LYS CB C 13 33.585 0.000 . 1 . . . . . 99 LYS CB . 51165 3 226 . 1 . 1 75 75 LYS N N 15 115.962 0.039 . 1 . . . . . 99 LYS N . 51165 3 227 . 1 . 1 76 76 GLN H H 1 8.456 0.005 . 1 . . . . . 100 GLN H . 51165 3 228 . 1 . 1 76 76 GLN C C 13 176.739 0.010 . 1 . . . . . 100 GLN C . 51165 3 229 . 1 . 1 76 76 GLN CA C 13 57.904 0.086 . 1 . . . . . 100 GLN CA . 51165 3 230 . 1 . 1 76 76 GLN N N 15 113.304 0.029 . 1 . . . . . 100 GLN N . 51165 3 231 . 1 . 1 77 77 ILE H H 1 8.149 0.008 . 1 . . . . . 101 ILE H . 51165 3 232 . 1 . 1 77 77 ILE C C 13 177.404 0.000 . 1 . . . . . 101 ILE C . 51165 3 233 . 1 . 1 77 77 ILE CA C 13 63.027 0.078 . 1 . . . . . 101 ILE CA . 51165 3 234 . 1 . 1 77 77 ILE N N 15 117.536 0.013 . 1 . . . . . 101 ILE N . 51165 3 235 . 1 . 1 78 78 GLY H H 1 8.316 0.005 . 1 . . . . . 102 GLY H . 51165 3 236 . 1 . 1 78 78 GLY C C 13 173.447 0.000 . 1 . . . . . 102 GLY C . 51165 3 237 . 1 . 1 78 78 GLY CA C 13 46.733 0.049 . 1 . . . . . 102 GLY CA . 51165 3 238 . 1 . 1 78 78 GLY N N 15 104.722 0.024 . 1 . . . . . 102 GLY N . 51165 3 239 . 1 . 1 79 79 LEU H H 1 6.190 0.008 . 1 . . . . . 103 LEU H . 51165 3 240 . 1 . 1 79 79 LEU C C 13 173.669 0.000 . 1 . . . . . 103 LEU C . 51165 3 241 . 1 . 1 79 79 LEU CA C 13 50.970 0.011 . 1 . . . . . 103 LEU CA . 51165 3 242 . 1 . 1 79 79 LEU N N 15 117.019 0.034 . 1 . . . . . 103 LEU N . 51165 3 243 . 1 . 1 80 80 PRO C C 13 176.245 0.000 . 1 . . . . . 104 PRO C . 51165 3 244 . 1 . 1 80 80 PRO CA C 13 62.188 0.053 . 1 . . . . . 104 PRO CA . 51165 3 245 . 1 . 1 81 81 VAL H H 1 8.801 0.003 . 1 . . . . . 105 VAL H . 51165 3 246 . 1 . 1 81 81 VAL C C 13 176.583 0.012 . 1 . . . . . 105 VAL C . 51165 3 247 . 1 . 1 81 81 VAL CA C 13 61.429 0.002 . 1 . . . . . 105 VAL CA . 51165 3 248 . 1 . 1 81 81 VAL N N 15 122.197 0.016 . 1 . . . . . 105 VAL N . 51165 3 249 . 1 . 1 82 82 THR H H 1 8.391 0.004 . 1 . . . . . 106 THR H . 51165 3 250 . 1 . 1 82 82 THR C C 13 176.606 0.029 . 1 . . . . . 106 THR C . 51165 3 251 . 1 . 1 82 82 THR CA C 13 61.829 0.071 . 1 . . . . . 106 THR CA . 51165 3 252 . 1 . 1 82 82 THR CB C 13 69.669 0.000 . 1 . . . . . 106 THR CB . 51165 3 253 . 1 . 1 82 82 THR N N 15 114.016 0.021 . 1 . . . . . 106 THR N . 51165 3 254 . 1 . 1 83 83 ARG H H 1 7.604 0.002 . 1 . . . . . 107 ARG H . 51165 3 255 . 1 . 1 83 83 ARG C C 13 173.624 0.001 . 1 . . . . . 107 ARG C . 51165 3 256 . 1 . 1 83 83 ARG CA C 13 55.101 0.142 . 1 . . . . . 107 ARG CA . 51165 3 257 . 1 . 1 83 83 ARG CB C 13 36.405 0.000 . 1 . . . . . 107 ARG CB . 51165 3 258 . 1 . 1 83 83 ARG N N 15 121.369 0.030 . 1 . . . . . 107 ARG N . 51165 3 259 . 1 . 1 84 84 ALA H H 1 9.032 0.009 . 1 . . . . . 108 ALA H . 51165 3 260 . 1 . 1 84 84 ALA C C 13 175.406 0.001 . 1 . . . . . 108 ALA C . 51165 3 261 . 1 . 1 84 84 ALA CA C 13 49.812 0.105 . 1 . . . . . 108 ALA CA . 51165 3 262 . 1 . 1 84 84 ALA CB C 13 24.335 0.000 . 1 . . . . . 108 ALA CB . 51165 3 263 . 1 . 1 84 84 ALA N N 15 121.901 0.011 . 1 . . . . . 108 ALA N . 51165 3 264 . 1 . 1 85 85 VAL H H 1 8.843 0.004 . 1 . . . . . 109 VAL H . 51165 3 265 . 1 . 1 85 85 VAL C C 13 175.208 0.007 . 1 . . . . . 109 VAL C . 51165 3 266 . 1 . 1 85 85 VAL CA C 13 60.100 0.170 . 1 . . . . . 109 VAL CA . 51165 3 267 . 1 . 1 85 85 VAL N N 15 121.131 0.054 . 1 . . . . . 109 VAL N . 51165 3 268 . 1 . 1 86 86 SER H H 1 7.839 0.004 . 1 . . . . . 110 SER H . 51165 3 269 . 1 . 1 86 86 SER CA C 13 58.211 0.000 . 1 . . . . . 110 SER CA . 51165 3 270 . 1 . 1 86 86 SER N N 15 121.919 0.024 . 1 . . . . . 110 SER N . 51165 3 271 . 1 . 1 97 97 VAL C C 13 177.617 0.000 . 1 . . . . . 121 VAL C . 51165 3 272 . 1 . 1 97 97 VAL CA C 13 58.075 0.017 . 1 . . . . . 121 VAL CA . 51165 3 273 . 1 . 1 98 98 ASP H H 1 7.795 0.005 . 1 . . . . . 122 ASP H . 51165 3 274 . 1 . 1 98 98 ASP C C 13 180.000 0.000 . 1 . . . . . 122 ASP C . 51165 3 275 . 1 . 1 98 98 ASP CA C 13 58.307 0.119 . 1 . . . . . 122 ASP CA . 51165 3 276 . 1 . 1 98 98 ASP N N 15 117.395 0.018 . 1 . . . . . 122 ASP N . 51165 3 277 . 1 . 1 99 99 VAL H H 1 7.779 0.004 . 1 . . . . . 123 VAL H . 51165 3 278 . 1 . 1 99 99 VAL C C 13 178.879 0.000 . 1 . . . . . 123 VAL C . 51165 3 279 . 1 . 1 99 99 VAL CA C 13 66.314 0.004 . 1 . . . . . 123 VAL CA . 51165 3 280 . 1 . 1 99 99 VAL N N 15 123.877 0.007 . 1 . . . . . 123 VAL N . 51165 3 281 . 1 . 1 100 100 LEU H H 1 7.733 0.004 . 1 . . . . . 124 LEU H . 51165 3 282 . 1 . 1 100 100 LEU C C 13 178.625 0.000 . 1 . . . . . 124 LEU C . 51165 3 283 . 1 . 1 100 100 LEU CA C 13 57.889 0.077 . 1 . . . . . 124 LEU CA . 51165 3 284 . 1 . 1 100 100 LEU N N 15 118.959 0.007 . 1 . . . . . 124 LEU N . 51165 3 285 . 1 . 1 101 101 ARG H H 1 8.877 0.012 . 1 . . . . . 125 ARG H . 51165 3 286 . 1 . 1 101 101 ARG C C 13 180.924 0.000 . 1 . . . . . 125 ARG C . 51165 3 287 . 1 . 1 101 101 ARG CA C 13 59.891 0.190 . 1 . . . . . 125 ARG CA . 51165 3 288 . 1 . 1 101 101 ARG N N 15 121.246 0.051 . 1 . . . . . 125 ARG N . 51165 3 289 . 1 . 1 102 102 ALA H H 1 8.055 0.008 . 1 . . . . . 126 ALA H . 51165 3 290 . 1 . 1 102 102 ALA C C 13 178.204 0.031 . 1 . . . . . 126 ALA C . 51165 3 291 . 1 . 1 102 102 ALA CA C 13 54.587 0.077 . 1 . . . . . 126 ALA CA . 51165 3 292 . 1 . 1 102 102 ALA CB C 13 18.064 0.000 . 1 . . . . . 126 ALA CB . 51165 3 293 . 1 . 1 102 102 ALA N N 15 122.922 0.035 . 1 . . . . . 126 ALA N . 51165 3 294 . 1 . 1 103 103 ALA H H 1 7.489 0.004 . 1 . . . . . 127 ALA H . 51165 3 295 . 1 . 1 103 103 ALA C C 13 177.256 0.006 . 1 . . . . . 127 ALA C . 51165 3 296 . 1 . 1 103 103 ALA CA C 13 51.802 0.056 . 1 . . . . . 127 ALA CA . 51165 3 297 . 1 . 1 103 103 ALA CB C 13 18.910 0.068 . 1 . . . . . 127 ALA CB . 51165 3 298 . 1 . 1 103 103 ALA N N 15 119.601 0.040 . 1 . . . . . 127 ALA N . 51165 3 299 . 1 . 1 104 104 GLY H H 1 7.878 0.006 . 1 . . . . . 128 GLY H . 51165 3 300 . 1 . 1 104 104 GLY CA C 13 45.389 0.013 . 1 . . . . . 128 GLY CA . 51165 3 301 . 1 . 1 104 104 GLY N N 15 106.386 0.048 . 1 . . . . . 128 GLY N . 51165 3 302 . 1 . 1 105 105 VAL H H 1 8.030 0.004 . 1 . . . . . 129 VAL H . 51165 3 303 . 1 . 1 105 105 VAL C C 13 175.445 0.049 . 1 . . . . . 129 VAL C . 51165 3 304 . 1 . 1 105 105 VAL CA C 13 62.550 0.082 . 1 . . . . . 129 VAL CA . 51165 3 305 . 1 . 1 105 105 VAL CB C 13 32.153 0.000 . 1 . . . . . 129 VAL CB . 51165 3 306 . 1 . 1 105 105 VAL N N 15 122.036 0.042 . 1 . . . . . 129 VAL N . 51165 3 307 . 1 . 1 106 106 ALA H H 1 7.890 0.006 . 1 . . . . . 130 ALA H . 51165 3 308 . 1 . 1 106 106 ALA C C 13 175.354 0.000 . 1 . . . . . 130 ALA C . 51165 3 309 . 1 . 1 106 106 ALA CA C 13 52.306 0.074 . 1 . . . . . 130 ALA CA . 51165 3 310 . 1 . 1 106 106 ALA N N 15 131.792 0.016 . 1 . . . . . 130 ALA N . 51165 3 311 . 1 . 1 107 107 THR H H 1 8.311 0.004 . 1 . . . . . 131 THR H . 51165 3 312 . 1 . 1 107 107 THR C C 13 173.288 0.139 . 1 . . . . . 131 THR C . 51165 3 313 . 1 . 1 107 107 THR CA C 13 60.005 0.000 . 1 . . . . . 131 THR CA . 51165 3 314 . 1 . 1 107 107 THR N N 15 116.111 0.045 . 1 . . . . . 131 THR N . 51165 3 315 . 1 . 1 108 108 TYR H H 1 9.186 0.003 . 1 . . . . . 132 TYR H . 51165 3 316 . 1 . 1 108 108 TYR C C 13 176.499 0.000 . 1 . . . . . 132 TYR C . 51165 3 317 . 1 . 1 108 108 TYR CA C 13 56.926 0.000 . 1 . . . . . 132 TYR CA . 51165 3 318 . 1 . 1 108 108 TYR N N 15 120.095 0.024 . 1 . . . . . 132 TYR N . 51165 3 319 . 1 . 1 109 109 ALA H H 1 8.766 0.008 . 1 . . . . . 133 ALA H . 51165 3 320 . 1 . 1 109 109 ALA C C 13 175.302 0.000 . 1 . . . . . 133 ALA C . 51165 3 321 . 1 . 1 109 109 ALA CA C 13 51.666 0.011 . 1 . . . . . 133 ALA CA . 51165 3 322 . 1 . 1 109 109 ALA CB C 13 23.165 0.000 . 1 . . . . . 133 ALA CB . 51165 3 323 . 1 . 1 109 109 ALA N N 15 118.397 0.010 . 1 . . . . . 133 ALA N . 51165 3 324 . 1 . 1 110 110 SER H H 1 10.436 0.004 . 1 . . . . . 134 SER H . 51165 3 325 . 1 . 1 110 110 SER CA C 13 57.721 0.000 . 1 . . . . . 134 SER CA . 51165 3 326 . 1 . 1 110 110 SER N N 15 119.533 0.010 . 1 . . . . . 134 SER N . 51165 3 327 . 1 . 1 111 111 PRO C C 13 179.821 0.000 . 1 . . . . . 135 PRO C . 51165 3 328 . 1 . 1 111 111 PRO CA C 13 65.491 0.097 . 1 . . . . . 135 PRO CA . 51165 3 329 . 1 . 1 112 112 SER H H 1 7.599 0.005 . 1 . . . . . 136 SER H . 51165 3 330 . 1 . 1 112 112 SER C C 13 175.546 0.000 . 1 . . . . . 136 SER C . 51165 3 331 . 1 . 1 112 112 SER CA C 13 61.626 0.000 . 1 . . . . . 136 SER CA . 51165 3 332 . 1 . 1 112 112 SER CB C 13 62.437 0.000 . 1 . . . . . 136 SER CB . 51165 3 333 . 1 . 1 112 112 SER N N 15 112.656 0.037 . 1 . . . . . 136 SER N . 51165 3 334 . 1 . 1 113 113 THR H H 1 8.269 0.004 . 1 . . . . . 137 THR H . 51165 3 335 . 1 . 1 113 113 THR C C 13 176.423 0.000 . 1 . . . . . 137 THR C . 51165 3 336 . 1 . 1 113 113 THR CA C 13 66.024 0.000 . 1 . . . . . 137 THR CA . 51165 3 337 . 1 . 1 113 113 THR N N 15 121.073 0.009 . 1 . . . . . 137 THR N . 51165 3 338 . 1 . 1 114 114 ARG H H 1 8.301 0.002 . 1 . . . . . 138 ARG H . 51165 3 339 . 1 . 1 114 114 ARG C C 13 178.078 0.000 . 1 . . . . . 138 ARG C . 51165 3 340 . 1 . 1 114 114 ARG CA C 13 61.440 0.013 . 1 . . . . . 138 ARG CA . 51165 3 341 . 1 . 1 114 114 ARG N N 15 117.843 0.015 . 1 . . . . . 138 ARG N . 51165 3 342 . 1 . 1 115 115 ARG H H 1 7.755 0.007 . 1 . . . . . 139 ARG H . 51165 3 343 . 1 . 1 115 115 ARG C C 13 178.064 0.023 . 1 . . . . . 139 ARG C . 51165 3 344 . 1 . 1 115 115 ARG CA C 13 58.956 0.043 . 1 . . . . . 139 ARG CA . 51165 3 345 . 1 . 1 115 115 ARG N N 15 119.069 0.019 . 1 . . . . . 139 ARG N . 51165 3 346 . 1 . 1 116 116 LEU H H 1 8.098 0.009 . 1 . . . . . 140 LEU H . 51165 3 347 . 1 . 1 116 116 LEU C C 13 179.202 0.029 . 1 . . . . . 140 LEU C . 51165 3 348 . 1 . 1 116 116 LEU CA C 13 57.851 0.096 . 1 . . . . . 140 LEU CA . 51165 3 349 . 1 . 1 116 116 LEU N N 15 119.896 0.034 . 1 . . . . . 140 LEU N . 51165 3 350 . 1 . 1 117 117 ALA H H 1 8.656 0.004 . 1 . . . . . 141 ALA H . 51165 3 351 . 1 . 1 117 117 ALA C C 13 178.646 0.000 . 1 . . . . . 141 ALA C . 51165 3 352 . 1 . 1 117 117 ALA CA C 13 55.933 0.090 . 1 . . . . . 141 ALA CA . 51165 3 353 . 1 . 1 117 117 ALA CB C 13 17.558 0.000 . 1 . . . . . 141 ALA CB . 51165 3 354 . 1 . 1 117 117 ALA N N 15 120.623 0.027 . 1 . . . . . 141 ALA N . 51165 3 355 . 1 . 1 118 118 GLU H H 1 7.610 0.005 . 1 . . . . . 142 GLU H . 51165 3 356 . 1 . 1 118 118 GLU C C 13 180.083 0.000 . 1 . . . . . 142 GLU C . 51165 3 357 . 1 . 1 118 118 GLU CA C 13 59.597 0.086 . 1 . . . . . 142 GLU CA . 51165 3 358 . 1 . 1 118 118 GLU CB C 13 29.562 0.000 . 1 . . . . . 142 GLU CB . 51165 3 359 . 1 . 1 118 118 GLU N N 15 118.077 0.015 . 1 . . . . . 142 GLU N . 51165 3 360 . 1 . 1 119 119 VAL H H 1 8.094 0.007 . 1 . . . . . 143 VAL H . 51165 3 361 . 1 . 1 119 119 VAL C C 13 177.926 0.000 . 1 . . . . . 143 VAL C . 51165 3 362 . 1 . 1 119 119 VAL CA C 13 66.096 0.071 . 1 . . . . . 143 VAL CA . 51165 3 363 . 1 . 1 119 119 VAL CB C 13 31.748 0.076 . 1 . . . . . 143 VAL CB . 51165 3 364 . 1 . 1 119 119 VAL N N 15 120.062 0.018 . 1 . . . . . 143 VAL N . 51165 3 365 . 1 . 1 120 120 GLU H H 1 7.757 0.005 . 1 . . . . . 144 GLU H . 51165 3 366 . 1 . 1 120 120 GLU C C 13 176.371 0.025 . 1 . . . . . 144 GLU C . 51165 3 367 . 1 . 1 120 120 GLU CA C 13 56.393 0.050 . 1 . . . . . 144 GLU CA . 51165 3 368 . 1 . 1 120 120 GLU CB C 13 30.102 0.000 . 1 . . . . . 144 GLU CB . 51165 3 369 . 1 . 1 120 120 GLU N N 15 117.828 0.012 . 1 . . . . . 144 GLU N . 51165 3 370 . 1 . 1 121 121 GLY H H 1 7.793 0.004 . 1 . . . . . 145 GLY H . 51165 3 371 . 1 . 1 121 121 GLY C C 13 175.116 0.000 . 1 . . . . . 145 GLY C . 51165 3 372 . 1 . 1 121 121 GLY CA C 13 45.548 0.036 . 1 . . . . . 145 GLY CA . 51165 3 373 . 1 . 1 121 121 GLY N N 15 106.166 0.017 . 1 . . . . . 145 GLY N . 51165 3 374 . 1 . 1 122 122 ASN H H 1 8.303 0.007 . 1 . . . . . 146 ASN H . 51165 3 375 . 1 . 1 122 122 ASN C C 13 174.106 0.024 . 1 . . . . . 146 ASN C . 51165 3 376 . 1 . 1 122 122 ASN CA C 13 51.140 0.102 . 1 . . . . . 146 ASN CA . 51165 3 377 . 1 . 1 122 122 ASN CB C 13 39.672 0.000 . 1 . . . . . 146 ASN CB . 51165 3 378 . 1 . 1 122 122 ASN N N 15 120.054 0.018 . 1 . . . . . 146 ASN N . 51165 3 379 . 1 . 1 123 123 GLU H H 1 8.258 0.002 . 1 . . . . . 147 GLU H . 51165 3 380 . 1 . 1 123 123 GLU C C 13 174.420 0.000 . 1 . . . . . 147 GLU C . 51165 3 381 . 1 . 1 123 123 GLU CA C 13 57.836 0.049 . 1 . . . . . 147 GLU CA . 51165 3 382 . 1 . 1 123 123 GLU N N 15 119.874 0.064 . 1 . . . . . 147 GLU N . 51165 3 383 . 1 . 1 124 124 ILE H H 1 8.109 0.011 . 1 . . . . . 148 ILE H . 51165 3 384 . 1 . 1 124 124 ILE C C 13 176.013 0.000 . 1 . . . . . 148 ILE C . 51165 3 385 . 1 . 1 124 124 ILE CA C 13 58.526 0.000 . 1 . . . . . 148 ILE CA . 51165 3 386 . 1 . 1 124 124 ILE N N 15 115.259 0.047 . 1 . . . . . 148 ILE N . 51165 3 387 . 1 . 1 125 125 PRO C C 13 175.028 0.000 . 1 . . . . . 149 PRO C . 51165 3 388 . 1 . 1 125 125 PRO CA C 13 62.529 0.000 . 1 . . . . . 149 PRO CA . 51165 3 389 . 1 . 1 126 126 THR H H 1 8.540 0.004 . 1 . . . . . 150 THR H . 51165 3 390 . 1 . 1 126 126 THR C C 13 173.808 0.000 . 1 . . . . . 150 THR C . 51165 3 391 . 1 . 1 126 126 THR CA C 13 67.491 0.008 . 1 . . . . . 150 THR CA . 51165 3 392 . 1 . 1 126 126 THR N N 15 122.727 0.015 . 1 . . . . . 150 THR N . 51165 3 393 . 1 . 1 127 127 HIS H H 1 8.847 0.011 . 1 . . . . . 151 HIS H . 51165 3 394 . 1 . 1 127 127 HIS C C 13 175.061 0.011 . 1 . . . . . 151 HIS C . 51165 3 395 . 1 . 1 127 127 HIS CA C 13 55.371 0.050 . 1 . . . . . 151 HIS CA . 51165 3 396 . 1 . 1 127 127 HIS N N 15 118.449 0.039 . 1 . . . . . 151 HIS N . 51165 3 397 . 1 . 1 128 128 SER H H 1 8.707 0.004 . 1 . . . . . 152 SER H . 51165 3 398 . 1 . 1 128 128 SER C C 13 175.180 0.132 . 1 . . . . . 152 SER C . 51165 3 399 . 1 . 1 128 128 SER CA C 13 57.618 0.069 . 1 . . . . . 152 SER CA . 51165 3 400 . 1 . 1 128 128 SER N N 15 116.722 0.040 . 1 . . . . . 152 SER N . 51165 3 401 . 1 . 1 129 129 LEU H H 1 8.003 0.003 . 1 . . . . . 153 LEU H . 51165 3 402 . 1 . 1 129 129 LEU C C 13 175.627 0.000 . 1 . . . . . 153 LEU C . 51165 3 403 . 1 . 1 129 129 LEU CA C 13 53.830 0.083 . 1 . . . . . 153 LEU CA . 51165 3 404 . 1 . 1 129 129 LEU CB C 13 43.981 0.000 . 1 . . . . . 153 LEU CB . 51165 3 405 . 1 . 1 129 129 LEU N N 15 125.846 0.009 . 1 . . . . . 153 LEU N . 51165 3 406 . 1 . 1 130 130 GLU H H 1 8.448 0.005 . 1 . . . . . 154 GLU H . 51165 3 407 . 1 . 1 130 130 GLU C C 13 176.430 0.005 . 1 . . . . . 154 GLU C . 51165 3 408 . 1 . 1 130 130 GLU CA C 13 55.810 0.076 . 1 . . . . . 154 GLU CA . 51165 3 409 . 1 . 1 130 130 GLU CB C 13 31.016 0.110 . 1 . . . . . 154 GLU CB . 51165 3 410 . 1 . 1 130 130 GLU N N 15 122.895 0.011 . 1 . . . . . 154 GLU N . 51165 3 411 . 1 . 1 131 131 GLY H H 1 8.320 0.004 . 1 . . . . . 155 GLY H . 51165 3 412 . 1 . 1 131 131 GLY C C 13 174.059 0.000 . 1 . . . . . 155 GLY C . 51165 3 413 . 1 . 1 131 131 GLY CA C 13 45.861 0.030 . 1 . . . . . 155 GLY CA . 51165 3 414 . 1 . 1 131 131 GLY N N 15 106.445 0.018 . 1 . . . . . 155 GLY N . 51165 3 415 . 1 . 1 132 132 LEU H H 1 8.159 0.006 . 1 . . . . . 156 LEU H . 51165 3 416 . 1 . 1 132 132 LEU C C 13 175.589 0.000 . 1 . . . . . 156 LEU C . 51165 3 417 . 1 . 1 132 132 LEU CA C 13 53.272 0.105 . 1 . . . . . 156 LEU CA . 51165 3 418 . 1 . 1 132 132 LEU CB C 13 43.358 0.031 . 1 . . . . . 156 LEU CB . 51165 3 419 . 1 . 1 132 132 LEU N N 15 119.478 0.027 . 1 . . . . . 156 LEU N . 51165 3 420 . 1 . 1 133 133 SER H H 1 8.345 0.008 . 1 . . . . . 157 SER H . 51165 3 421 . 1 . 1 133 133 SER C C 13 174.430 0.000 . 1 . . . . . 157 SER C . 51165 3 422 . 1 . 1 133 133 SER CA C 13 60.605 0.092 . 1 . . . . . 157 SER CA . 51165 3 423 . 1 . 1 133 133 SER CB C 13 64.983 0.003 . 1 . . . . . 157 SER CB . 51165 3 424 . 1 . 1 133 133 SER N N 15 114.056 0.020 . 1 . . . . . 157 SER N . 51165 3 425 . 1 . 1 134 134 SER H H 1 9.022 0.006 . 1 . . . . . 158 SER H . 51165 3 426 . 1 . 1 134 134 SER C C 13 173.334 0.007 . 1 . . . . . 158 SER C . 51165 3 427 . 1 . 1 134 134 SER CA C 13 57.205 0.127 . 1 . . . . . 158 SER CA . 51165 3 428 . 1 . 1 134 134 SER CB C 13 64.628 0.000 . 1 . . . . . 158 SER CB . 51165 3 429 . 1 . 1 134 134 SER N N 15 119.217 0.020 . 1 . . . . . 158 SER N . 51165 3 430 . 1 . 1 135 135 SER H H 1 8.746 0.004 . 1 . . . . . 159 SER H . 51165 3 431 . 1 . 1 135 135 SER C C 13 175.651 0.000 . 1 . . . . . 159 SER C . 51165 3 432 . 1 . 1 135 135 SER CA C 13 59.821 0.037 . 1 . . . . . 159 SER CA . 51165 3 433 . 1 . 1 135 135 SER CB C 13 62.056 0.000 . 1 . . . . . 159 SER CB . 51165 3 434 . 1 . 1 135 135 SER N N 15 120.334 0.012 . 1 . . . . . 159 SER N . 51165 3 435 . 1 . 1 136 136 GLY H H 1 8.949 0.007 . 1 . . . . . 160 GLY H . 51165 3 436 . 1 . 1 136 136 GLY C C 13 173.157 0.000 . 1 . . . . . 160 GLY C . 51165 3 437 . 1 . 1 136 136 GLY CA C 13 44.709 0.017 . 1 . . . . . 160 GLY CA . 51165 3 438 . 1 . 1 136 136 GLY N N 15 112.979 0.026 . 1 . . . . . 160 GLY N . 51165 3 439 . 1 . 1 137 137 ASP H H 1 8.101 0.005 . 1 . . . . . 161 ASP H . 51165 3 440 . 1 . 1 137 137 ASP C C 13 173.754 0.003 . 1 . . . . . 161 ASP C . 51165 3 441 . 1 . 1 137 137 ASP CA C 13 55.795 0.051 . 1 . . . . . 161 ASP CA . 51165 3 442 . 1 . 1 137 137 ASP CB C 13 42.001 0.000 . 1 . . . . . 161 ASP CB . 51165 3 443 . 1 . 1 137 137 ASP N N 15 123.597 0.006 . 1 . . . . . 161 ASP N . 51165 3 444 . 1 . 1 138 138 ALA H H 1 7.995 0.013 . 1 . . . . . 162 ALA H . 51165 3 445 . 1 . 1 138 138 ALA C C 13 177.489 0.025 . 1 . . . . . 162 ALA C . 51165 3 446 . 1 . 1 138 138 ALA CA C 13 50.441 0.100 . 1 . . . . . 162 ALA CA . 51165 3 447 . 1 . 1 138 138 ALA CB C 13 24.123 0.004 . 1 . . . . . 162 ALA CB . 51165 3 448 . 1 . 1 138 138 ALA N N 15 120.585 0.047 . 1 . . . . . 162 ALA N . 51165 3 449 . 1 . 1 139 139 VAL H H 1 9.103 0.008 . 1 . . . . . 163 VAL H . 51165 3 450 . 1 . 1 139 139 VAL C C 13 174.453 0.021 . 1 . . . . . 163 VAL C . 51165 3 451 . 1 . 1 139 139 VAL CA C 13 60.134 0.090 . 1 . . . . . 163 VAL CA . 51165 3 452 . 1 . 1 139 139 VAL CB C 13 36.773 0.101 . 1 . . . . . 163 VAL CB . 51165 3 453 . 1 . 1 139 139 VAL N N 15 116.571 0.014 . 1 . . . . . 163 VAL N . 51165 3 454 . 1 . 1 140 140 ARG H H 1 8.844 0.011 . 1 . . . . . 164 ARG H . 51165 3 455 . 1 . 1 140 140 ARG C C 13 175.453 0.009 . 1 . . . . . 164 ARG C . 51165 3 456 . 1 . 1 140 140 ARG CA C 13 55.433 0.079 . 1 . . . . . 164 ARG CA . 51165 3 457 . 1 . 1 140 140 ARG CB C 13 30.203 0.059 . 1 . . . . . 164 ARG CB . 51165 3 458 . 1 . 1 140 140 ARG N N 15 124.867 0.011 . 1 . . . . . 164 ARG N . 51165 3 459 . 1 . 1 141 141 PHE H H 1 8.985 0.004 . 1 . . . . . 165 PHE H . 51165 3 460 . 1 . 1 141 141 PHE C C 13 173.567 0.000 . 1 . . . . . 165 PHE C . 51165 3 461 . 1 . 1 141 141 PHE CA C 13 57.117 0.075 . 1 . . . . . 165 PHE CA . 51165 3 462 . 1 . 1 141 141 PHE N N 15 130.084 0.021 . 1 . . . . . 165 PHE N . 51165 3 463 . 1 . 1 142 142 GLY H H 1 8.497 0.004 . 1 . . . . . 166 GLY H . 51165 3 464 . 1 . 1 142 142 GLY CA C 13 44.946 0.023 . 1 . . . . . 166 GLY CA . 51165 3 465 . 1 . 1 142 142 GLY N N 15 114.725 0.028 . 1 . . . . . 166 GLY N . 51165 3 466 . 1 . 1 143 143 PRO C C 13 175.144 0.000 . 1 . . . . . 167 PRO C . 51165 3 467 . 1 . 1 143 143 PRO CA C 13 63.400 0.066 . 1 . . . . . 167 PRO CA . 51165 3 468 . 1 . 1 144 144 VAL H H 1 7.585 0.012 . 1 . . . . . 168 VAL H . 51165 3 469 . 1 . 1 144 144 VAL C C 13 174.133 0.004 . 1 . . . . . 168 VAL C . 51165 3 470 . 1 . 1 144 144 VAL CA C 13 58.389 0.036 . 1 . . . . . 168 VAL CA . 51165 3 471 . 1 . 1 144 144 VAL CB C 13 34.766 0.058 . 1 . . . . . 168 VAL CB . 51165 3 472 . 1 . 1 144 144 VAL N N 15 110.593 0.052 . 1 . . . . . 168 VAL N . 51165 3 473 . 1 . 1 145 145 GLU H H 1 9.447 0.009 . 1 . . . . . 169 GLU H . 51165 3 474 . 1 . 1 145 145 GLU C C 13 174.645 0.000 . 1 . . . . . 169 GLU C . 51165 3 475 . 1 . 1 145 145 GLU CA C 13 55.542 0.054 . 1 . . . . . 169 GLU CA . 51165 3 476 . 1 . 1 145 145 GLU N N 15 121.465 0.035 . 1 . . . . . 169 GLU N . 51165 3 477 . 1 . 1 146 146 LEU H H 1 9.342 0.011 . 1 . . . . . 170 LEU H . 51165 3 478 . 1 . 1 146 146 LEU C C 13 174.692 0.040 . 1 . . . . . 170 LEU C . 51165 3 479 . 1 . 1 146 146 LEU CA C 13 53.115 0.060 . 1 . . . . . 170 LEU CA . 51165 3 480 . 1 . 1 146 146 LEU N N 15 124.576 0.022 . 1 . . . . . 170 LEU N . 51165 3 481 . 1 . 1 147 147 PHE H H 1 9.102 0.004 . 1 . . . . . 171 PHE H . 51165 3 482 . 1 . 1 147 147 PHE CA C 13 55.070 0.057 . 1 . . . . . 171 PHE CA . 51165 3 483 . 1 . 1 147 147 PHE CB C 13 43.468 0.000 . 1 . . . . . 171 PHE CB . 51165 3 484 . 1 . 1 147 147 PHE N N 15 122.745 0.013 . 1 . . . . . 171 PHE N . 51165 3 485 . 1 . 1 148 148 TYR H H 1 8.570 0.004 . 1 . . . . . 172 TYR H . 51165 3 486 . 1 . 1 148 148 TYR C C 13 174.138 0.000 . 1 . . . . . 172 TYR C . 51165 3 487 . 1 . 1 148 148 TYR CA C 13 51.594 0.000 . 1 . . . . . 172 TYR CA . 51165 3 488 . 1 . 1 148 148 TYR N N 15 127.813 0.003 . 1 . . . . . 172 TYR N . 51165 3 489 . 1 . 1 150 150 GLY C C 13 171.749 0.000 . 1 . . . . . 174 GLY C . 51165 3 490 . 1 . 1 150 150 GLY CA C 13 43.700 0.000 . 1 . . . . . 174 GLY CA . 51165 3 491 . 1 . 1 151 151 ALA H H 1 8.053 0.007 . 1 . . . . . 175 ALA H . 51165 3 492 . 1 . 1 151 151 ALA C C 13 177.606 0.021 . 1 . . . . . 175 ALA C . 51165 3 493 . 1 . 1 151 151 ALA CA C 13 52.625 0.000 . 1 . . . . . 175 ALA CA . 51165 3 494 . 1 . 1 151 151 ALA CB C 13 20.902 0.000 . 1 . . . . . 175 ALA CB . 51165 3 495 . 1 . 1 151 151 ALA N N 15 118.003 0.019 . 1 . . . . . 175 ALA N . 51165 3 496 . 1 . 1 152 152 ALA H H 1 7.415 0.015 . 1 . . . . . 176 ALA H . 51165 3 497 . 1 . 1 152 152 ALA C C 13 172.671 0.031 . 1 . . . . . 176 ALA C . 51165 3 498 . 1 . 1 152 152 ALA CA C 13 52.667 0.095 . 1 . . . . . 176 ALA CA . 51165 3 499 . 1 . 1 152 152 ALA CB C 13 16.456 0.000 . 1 . . . . . 176 ALA CB . 51165 3 500 . 1 . 1 152 152 ALA N N 15 123.191 0.028 . 1 . . . . . 176 ALA N . 51165 3 501 . 1 . 1 153 153 HIS H H 1 6.257 0.004 . 1 . . . . . 177 HIS H . 51165 3 502 . 1 . 1 153 153 HIS C C 13 171.876 0.000 . 1 . . . . . 177 HIS C . 51165 3 503 . 1 . 1 153 153 HIS N N 15 124.841 0.021 . 1 . . . . . 177 HIS N . 51165 3 504 . 1 . 1 154 154 SER H H 1 7.680 0.003 . 1 . . . . . 178 SER H . 51165 3 505 . 1 . 1 154 154 SER C C 13 176.465 0.000 . 1 . . . . . 178 SER C . 51165 3 506 . 1 . 1 154 154 SER CA C 13 57.263 0.038 . 1 . . . . . 178 SER CA . 51165 3 507 . 1 . 1 154 154 SER CB C 13 65.068 0.000 . 1 . . . . . 178 SER CB . 51165 3 508 . 1 . 1 154 154 SER N N 15 106.991 0.008 . 1 . . . . . 178 SER N . 51165 3 509 . 1 . 1 155 155 THR H H 1 9.790 0.002 . 1 . . . . . 179 THR H . 51165 3 510 . 1 . 1 155 155 THR C C 13 173.916 0.000 . 1 . . . . . 179 THR C . 51165 3 511 . 1 . 1 155 155 THR CA C 13 65.484 0.000 . 1 . . . . . 179 THR CA . 51165 3 512 . 1 . 1 155 155 THR N N 15 115.305 0.018 . 1 . . . . . 179 THR N . 51165 3 513 . 1 . 1 156 156 ASP H H 1 10.085 0.006 . 1 . . . . . 180 ASP H . 51165 3 514 . 1 . 1 156 156 ASP C C 13 176.069 0.000 . 1 . . . . . 180 ASP C . 51165 3 515 . 1 . 1 156 156 ASP N N 15 117.378 0.013 . 1 . . . . . 180 ASP N . 51165 3 516 . 1 . 1 157 157 ASN H H 1 6.550 0.002 . 1 . . . . . 181 ASN H . 51165 3 517 . 1 . 1 157 157 ASN C C 13 175.275 0.004 . 1 . . . . . 181 ASN C . 51165 3 518 . 1 . 1 157 157 ASN CA C 13 54.753 0.057 . 1 . . . . . 181 ASN CA . 51165 3 519 . 1 . 1 157 157 ASN N N 15 116.491 0.045 . 1 . . . . . 181 ASN N . 51165 3 520 . 1 . 1 158 158 LEU H H 1 8.977 0.006 . 1 . . . . . 182 LEU H . 51165 3 521 . 1 . 1 158 158 LEU C C 13 177.759 0.000 . 1 . . . . . 182 LEU C . 51165 3 522 . 1 . 1 158 158 LEU CA C 13 53.350 0.018 . 1 . . . . . 182 LEU CA . 51165 3 523 . 1 . 1 158 158 LEU N N 15 120.094 0.015 . 1 . . . . . 182 LEU N . 51165 3 524 . 1 . 1 159 159 VAL H H 1 9.270 0.007 . 1 . . . . . 183 VAL H . 51165 3 525 . 1 . 1 159 159 VAL CA C 13 59.904 0.049 . 1 . . . . . 183 VAL CA . 51165 3 526 . 1 . 1 159 159 VAL N N 15 115.575 0.014 . 1 . . . . . 183 VAL N . 51165 3 527 . 1 . 1 160 160 VAL C C 13 173.222 0.000 . 1 . . . . . 184 VAL C . 51165 3 528 . 1 . 1 160 160 VAL CA C 13 60.598 0.000 . 1 . . . . . 184 VAL CA . 51165 3 529 . 1 . 1 161 161 TYR H H 1 9.681 0.011 . 1 . . . . . 185 TYR H . 51165 3 530 . 1 . 1 161 161 TYR C C 13 174.691 0.013 . 1 . . . . . 185 TYR C . 51165 3 531 . 1 . 1 161 161 TYR CA C 13 55.022 0.072 . 1 . . . . . 185 TYR CA . 51165 3 532 . 1 . 1 161 161 TYR N N 15 128.514 0.009 . 1 . . . . . 185 TYR N . 51165 3 533 . 1 . 1 162 162 VAL H H 1 8.548 0.006 . 1 . . . . . 186 VAL H . 51165 3 534 . 1 . 1 162 162 VAL C C 13 175.201 0.000 . 1 . . . . . 186 VAL C . 51165 3 535 . 1 . 1 162 162 VAL CA C 13 58.690 0.021 . 1 . . . . . 186 VAL CA . 51165 3 536 . 1 . 1 162 162 VAL N N 15 126.799 0.047 . 1 . . . . . 186 VAL N . 51165 3 537 . 1 . 1 163 163 PRO C C 13 176.082 0.000 . 1 . . . . . 187 PRO C . 51165 3 538 . 1 . 1 163 163 PRO CA C 13 65.147 0.040 . 1 . . . . . 187 PRO CA . 51165 3 539 . 1 . 1 164 164 SER H H 1 7.698 0.003 . 1 . . . . . 188 SER H . 51165 3 540 . 1 . 1 164 164 SER C C 13 174.457 0.000 . 1 . . . . . 188 SER C . 51165 3 541 . 1 . 1 164 164 SER CA C 13 60.329 0.075 . 1 . . . . . 188 SER CA . 51165 3 542 . 1 . 1 164 164 SER CB C 13 63.005 0.000 . 1 . . . . . 188 SER CB . 51165 3 543 . 1 . 1 164 164 SER N N 15 112.907 0.011 . 1 . . . . . 188 SER N . 51165 3 544 . 1 . 1 165 165 ALA H H 1 6.612 0.005 . 1 . . . . . 189 ALA H . 51165 3 545 . 1 . 1 165 165 ALA C C 13 175.392 0.035 . 1 . . . . . 189 ALA C . 51165 3 546 . 1 . 1 165 165 ALA CA C 13 50.761 0.119 . 1 . . . . . 189 ALA CA . 51165 3 547 . 1 . 1 165 165 ALA CB C 13 22.021 0.000 . 1 . . . . . 189 ALA CB . 51165 3 548 . 1 . 1 165 165 ALA N N 15 120.597 0.039 . 1 . . . . . 189 ALA N . 51165 3 549 . 1 . 1 166 166 SER H H 1 7.588 0.008 . 1 . . . . . 190 SER H . 51165 3 550 . 1 . 1 166 166 SER C C 13 174.012 0.145 . 1 . . . . . 190 SER C . 51165 3 551 . 1 . 1 166 166 SER CA C 13 58.352 0.021 . 1 . . . . . 190 SER CA . 51165 3 552 . 1 . 1 166 166 SER CB C 13 61.707 0.000 . 1 . . . . . 190 SER CB . 51165 3 553 . 1 . 1 166 166 SER N N 15 111.821 0.047 . 1 . . . . . 190 SER N . 51165 3 554 . 1 . 1 167 167 VAL H H 1 6.714 0.005 . 1 . . . . . 191 VAL H . 51165 3 555 . 1 . 1 167 167 VAL C C 13 172.504 0.001 . 1 . . . . . 191 VAL C . 51165 3 556 . 1 . 1 167 167 VAL CA C 13 60.853 0.051 . 1 . . . . . 191 VAL CA . 51165 3 557 . 1 . 1 167 167 VAL CB C 13 34.594 0.000 . 1 . . . . . 191 VAL CB . 51165 3 558 . 1 . 1 167 167 VAL N N 15 116.801 0.034 . 1 . . . . . 191 VAL N . 51165 3 559 . 1 . 1 168 168 LEU H H 1 9.456 0.005 . 1 . . . . . 192 LEU H . 51165 3 560 . 1 . 1 168 168 LEU CA C 13 53.332 0.001 . 1 . . . . . 192 LEU CA . 51165 3 561 . 1 . 1 168 168 LEU N N 15 129.069 0.018 . 1 . . . . . 192 LEU N . 51165 3 562 . 1 . 1 169 169 TYR C C 13 173.775 0.000 . 1 . . . . . 193 TYR C . 51165 3 563 . 1 . 1 170 170 GLY H H 1 8.584 0.007 . 1 . . . . . 194 GLY H . 51165 3 564 . 1 . 1 170 170 GLY CA C 13 44.957 0.068 . 1 . . . . . 194 GLY CA . 51165 3 565 . 1 . 1 170 170 GLY N N 15 113.058 0.018 . 1 . . . . . 194 GLY N . 51165 3 566 . 1 . 1 173 173 ALA H H 1 6.412 0.003 . 1 . . . . . 197 ALA H . 51165 3 567 . 1 . 1 173 173 ALA C C 13 173.088 0.000 . 1 . . . . . 197 ALA C . 51165 3 568 . 1 . 1 173 173 ALA CA C 13 53.083 0.043 . 1 . . . . . 197 ALA CA . 51165 3 569 . 1 . 1 173 173 ALA N N 15 115.737 0.021 . 1 . . . . . 197 ALA N . 51165 3 570 . 1 . 1 176 176 GLU C C 13 176.266 0.000 . 1 . . . . . 200 GLU C . 51165 3 571 . 1 . 1 177 177 LEU H H 1 8.415 0.004 . 1 . . . . . 201 LEU H . 51165 3 572 . 1 . 1 177 177 LEU C C 13 177.844 0.000 . 1 . . . . . 201 LEU C . 51165 3 573 . 1 . 1 177 177 LEU CA C 13 57.272 0.000 . 1 . . . . . 201 LEU CA . 51165 3 574 . 1 . 1 177 177 LEU CB C 13 42.306 0.000 . 1 . . . . . 201 LEU CB . 51165 3 575 . 1 . 1 177 177 LEU N N 15 121.492 0.003 . 1 . . . . . 201 LEU N . 51165 3 576 . 1 . 1 178 178 SER H H 1 8.561 0.004 . 1 . . . . . 202 SER H . 51165 3 577 . 1 . 1 178 178 SER C C 13 174.555 0.000 . 1 . . . . . 202 SER C . 51165 3 578 . 1 . 1 178 178 SER CA C 13 59.136 0.000 . 1 . . . . . 202 SER CA . 51165 3 579 . 1 . 1 178 178 SER CB C 13 62.961 0.000 . 1 . . . . . 202 SER CB . 51165 3 580 . 1 . 1 178 178 SER N N 15 108.589 0.044 . 1 . . . . . 202 SER N . 51165 3 581 . 1 . 1 179 179 ARG H H 1 7.728 0.008 . 1 . . . . . 203 ARG H . 51165 3 582 . 1 . 1 179 179 ARG C C 13 175.457 0.000 . 1 . . . . . 203 ARG C . 51165 3 583 . 1 . 1 179 179 ARG CA C 13 56.258 0.000 . 1 . . . . . 203 ARG CA . 51165 3 584 . 1 . 1 179 179 ARG N N 15 124.954 0.030 . 1 . . . . . 203 ARG N . 51165 3 585 . 1 . 1 180 180 THR H H 1 8.235 0.002 . 1 . . . . . 204 THR H . 51165 3 586 . 1 . 1 180 180 THR C C 13 173.761 0.000 . 1 . . . . . 204 THR C . 51165 3 587 . 1 . 1 180 180 THR N N 15 113.859 0.004 . 1 . . . . . 204 THR N . 51165 3 588 . 1 . 1 181 181 SER H H 1 7.633 0.004 . 1 . . . . . 205 SER H . 51165 3 589 . 1 . 1 181 181 SER CA C 13 56.383 0.018 . 1 . . . . . 205 SER CA . 51165 3 590 . 1 . 1 181 181 SER N N 15 115.672 0.011 . 1 . . . . . 205 SER N . 51165 3 591 . 1 . 1 184 184 ASN C C 13 179.264 0.000 . 1 . . . . . 208 ASN C . 51165 3 592 . 1 . 1 185 185 VAL H H 1 8.548 0.004 . 1 . . . . . 209 VAL H . 51165 3 593 . 1 . 1 185 185 VAL C C 13 177.545 0.000 . 1 . . . . . 209 VAL C . 51165 3 594 . 1 . 1 185 185 VAL CA C 13 60.160 0.000 . 1 . . . . . 209 VAL CA . 51165 3 595 . 1 . 1 185 185 VAL N N 15 119.850 0.028 . 1 . . . . . 209 VAL N . 51165 3 596 . 1 . 1 186 186 ALA H H 1 8.079 0.010 . 1 . . . . . 210 ALA H . 51165 3 597 . 1 . 1 186 186 ALA C C 13 178.815 0.011 . 1 . . . . . 210 ALA C . 51165 3 598 . 1 . 1 186 186 ALA CA C 13 55.911 0.079 . 1 . . . . . 210 ALA CA . 51165 3 599 . 1 . 1 186 186 ALA CB C 13 18.936 0.000 . 1 . . . . . 210 ALA CB . 51165 3 600 . 1 . 1 186 186 ALA N N 15 125.361 0.050 . 1 . . . . . 210 ALA N . 51165 3 601 . 1 . 1 187 187 ASP H H 1 8.047 0.004 . 1 . . . . . 211 ASP H . 51165 3 602 . 1 . 1 187 187 ASP C C 13 174.683 0.000 . 1 . . . . . 211 ASP C . 51165 3 603 . 1 . 1 187 187 ASP CA C 13 54.079 0.000 . 1 . . . . . 211 ASP CA . 51165 3 604 . 1 . 1 187 187 ASP N N 15 113.887 0.007 . 1 . . . . . 211 ASP N . 51165 3 605 . 1 . 1 188 188 ALA H H 1 7.179 0.002 . 1 . . . . . 212 ALA H . 51165 3 606 . 1 . 1 188 188 ALA C C 13 177.451 0.008 . 1 . . . . . 212 ALA C . 51165 3 607 . 1 . 1 188 188 ALA CA C 13 52.091 0.000 . 1 . . . . . 212 ALA CA . 51165 3 608 . 1 . 1 188 188 ALA N N 15 122.790 0.026 . 1 . . . . . 212 ALA N . 51165 3 609 . 1 . 1 189 189 ASP H H 1 8.110 0.006 . 1 . . . . . 213 ASP H . 51165 3 610 . 1 . 1 189 189 ASP C C 13 176.163 0.000 . 1 . . . . . 213 ASP C . 51165 3 611 . 1 . 1 189 189 ASP CA C 13 52.217 0.084 . 1 . . . . . 213 ASP CA . 51165 3 612 . 1 . 1 189 189 ASP N N 15 118.948 0.015 . 1 . . . . . 213 ASP N . 51165 3 613 . 1 . 1 190 190 LEU H H 1 8.696 0.005 . 1 . . . . . 214 LEU H . 51165 3 614 . 1 . 1 190 190 LEU C C 13 178.054 0.000 . 1 . . . . . 214 LEU C . 51165 3 615 . 1 . 1 190 190 LEU CA C 13 58.277 0.041 . 1 . . . . . 214 LEU CA . 51165 3 616 . 1 . 1 190 190 LEU N N 15 122.324 0.009 . 1 . . . . . 214 LEU N . 51165 3 617 . 1 . 1 191 191 ALA H H 1 7.953 0.003 . 1 . . . . . 215 ALA H . 51165 3 618 . 1 . 1 191 191 ALA C C 13 179.784 0.016 . 1 . . . . . 215 ALA C . 51165 3 619 . 1 . 1 191 191 ALA CA C 13 54.236 0.054 . 1 . . . . . 215 ALA CA . 51165 3 620 . 1 . 1 191 191 ALA CB C 13 18.559 0.025 . 1 . . . . . 215 ALA CB . 51165 3 621 . 1 . 1 191 191 ALA N N 15 118.687 0.024 . 1 . . . . . 215 ALA N . 51165 3 622 . 1 . 1 192 192 GLU H H 1 7.687 0.006 . 1 . . . . . 216 GLU H . 51165 3 623 . 1 . 1 192 192 GLU C C 13 177.620 0.000 . 1 . . . . . 216 GLU C . 51165 3 624 . 1 . 1 192 192 GLU CA C 13 54.246 0.000 . 1 . . . . . 216 GLU CA . 51165 3 625 . 1 . 1 192 192 GLU N N 15 117.998 0.036 . 1 . . . . . 216 GLU N . 51165 3 626 . 1 . 1 194 194 PRO C C 13 179.319 0.000 . 1 . . . . . 218 PRO C . 51165 3 627 . 1 . 1 194 194 PRO CA C 13 66.944 0.070 . 1 . . . . . 218 PRO CA . 51165 3 628 . 1 . 1 195 195 THR H H 1 7.523 0.007 . 1 . . . . . 219 THR H . 51165 3 629 . 1 . 1 195 195 THR C C 13 176.495 0.000 . 1 . . . . . 219 THR C . 51165 3 630 . 1 . 1 195 195 THR CA C 13 66.493 0.144 . 1 . . . . . 219 THR CA . 51165 3 631 . 1 . 1 195 195 THR CB C 13 68.129 0.000 . 1 . . . . . 219 THR CB . 51165 3 632 . 1 . 1 195 195 THR N N 15 117.811 0.041 . 1 . . . . . 219 THR N . 51165 3 633 . 1 . 1 196 196 SER H H 1 8.890 0.002 . 1 . . . . . 220 SER H . 51165 3 634 . 1 . 1 196 196 SER C C 13 176.601 0.000 . 1 . . . . . 220 SER C . 51165 3 635 . 1 . 1 196 196 SER CA C 13 62.114 0.000 . 1 . . . . . 220 SER CA . 51165 3 636 . 1 . 1 196 196 SER N N 15 122.193 0.027 . 1 . . . . . 220 SER N . 51165 3 637 . 1 . 1 197 197 ILE H H 1 8.309 0.002 . 1 . . . . . 221 ILE H . 51165 3 638 . 1 . 1 197 197 ILE C C 13 177.780 0.000 . 1 . . . . . 221 ILE C . 51165 3 639 . 1 . 1 197 197 ILE CA C 13 64.855 0.164 . 1 . . . . . 221 ILE CA . 51165 3 640 . 1 . 1 197 197 ILE N N 15 120.287 0.034 . 1 . . . . . 221 ILE N . 51165 3 641 . 1 . 1 198 198 GLU H H 1 7.929 0.008 . 1 . . . . . 222 GLU H . 51165 3 642 . 1 . 1 198 198 GLU C C 13 179.270 0.004 . 1 . . . . . 222 GLU C . 51165 3 643 . 1 . 1 198 198 GLU CA C 13 59.857 0.030 . 1 . . . . . 222 GLU CA . 51165 3 644 . 1 . 1 198 198 GLU CB C 13 29.217 0.000 . 1 . . . . . 222 GLU CB . 51165 3 645 . 1 . 1 198 198 GLU N N 15 122.059 0.017 . 1 . . . . . 222 GLU N . 51165 3 646 . 1 . 1 199 199 ARG H H 1 8.253 0.017 . 1 . . . . . 223 ARG H . 51165 3 647 . 1 . 1 199 199 ARG C C 13 179.961 0.000 . 1 . . . . . 223 ARG C . 51165 3 648 . 1 . 1 199 199 ARG CA C 13 60.831 0.049 . 1 . . . . . 223 ARG CA . 51165 3 649 . 1 . 1 199 199 ARG N N 15 117.819 0.015 . 1 . . . . . 223 ARG N . 51165 3 650 . 1 . 1 200 200 ILE H H 1 7.852 0.004 . 1 . . . . . 224 ILE H . 51165 3 651 . 1 . 1 200 200 ILE C C 13 176.834 0.000 . 1 . . . . . 224 ILE C . 51165 3 652 . 1 . 1 200 200 ILE CA C 13 66.343 0.047 . 1 . . . . . 224 ILE CA . 51165 3 653 . 1 . 1 200 200 ILE N N 15 119.038 0.025 . 1 . . . . . 224 ILE N . 51165 3 654 . 1 . 1 201 201 GLN H H 1 8.411 0.011 . 1 . . . . . 225 GLN H . 51165 3 655 . 1 . 1 201 201 GLN C C 13 177.815 0.010 . 1 . . . . . 225 GLN C . 51165 3 656 . 1 . 1 201 201 GLN CA C 13 59.033 0.039 . 1 . . . . . 225 GLN CA . 51165 3 657 . 1 . 1 201 201 GLN CB C 13 28.375 0.000 . 1 . . . . . 225 GLN CB . 51165 3 658 . 1 . 1 201 201 GLN N N 15 118.954 0.017 . 1 . . . . . 225 GLN N . 51165 3 659 . 1 . 1 202 202 GLN H H 1 8.152 0.008 . 1 . . . . . 226 GLN H . 51165 3 660 . 1 . 1 202 202 GLN C C 13 177.434 0.039 . 1 . . . . . 226 GLN C . 51165 3 661 . 1 . 1 202 202 GLN CA C 13 57.656 0.040 . 1 . . . . . 226 GLN CA . 51165 3 662 . 1 . 1 202 202 GLN CB C 13 28.845 0.000 . 1 . . . . . 226 GLN CB . 51165 3 663 . 1 . 1 202 202 GLN N N 15 113.879 0.021 . 1 . . . . . 226 GLN N . 51165 3 664 . 1 . 1 203 203 HIS H H 1 7.566 0.006 . 1 . . . . . 227 HIS H . 51165 3 665 . 1 . 1 203 203 HIS C C 13 174.318 0.019 . 1 . . . . . 227 HIS C . 51165 3 666 . 1 . 1 203 203 HIS CA C 13 57.664 0.040 . 1 . . . . . 227 HIS CA . 51165 3 667 . 1 . 1 203 203 HIS CB C 13 29.134 0.000 . 1 . . . . . 227 HIS CB . 51165 3 668 . 1 . 1 203 203 HIS N N 15 116.884 0.053 . 1 . . . . . 227 HIS N . 51165 3 669 . 1 . 1 204 204 TYR H H 1 7.486 0.007 . 1 . . . . . 228 TYR H . 51165 3 670 . 1 . 1 204 204 TYR C C 13 173.241 0.000 . 1 . . . . . 228 TYR C . 51165 3 671 . 1 . 1 204 204 TYR CA C 13 55.354 0.043 . 1 . . . . . 228 TYR CA . 51165 3 672 . 1 . 1 204 204 TYR N N 15 115.008 0.013 . 1 . . . . . 228 TYR N . 51165 3 673 . 1 . 1 205 205 PRO C C 13 177.941 0.000 . 1 . . . . . 229 PRO C . 51165 3 674 . 1 . 1 205 205 PRO CA C 13 64.631 0.043 . 1 . . . . . 229 PRO CA . 51165 3 675 . 1 . 1 206 206 GLU H H 1 8.444 0.004 . 1 . . . . . 230 GLU H . 51165 3 676 . 1 . 1 206 206 GLU C C 13 175.991 0.000 . 1 . . . . . 230 GLU C . 51165 3 677 . 1 . 1 206 206 GLU CA C 13 55.145 0.068 . 1 . . . . . 230 GLU CA . 51165 3 678 . 1 . 1 206 206 GLU CB C 13 29.475 0.073 . 1 . . . . . 230 GLU CB . 51165 3 679 . 1 . 1 206 206 GLU N N 15 117.091 0.035 . 1 . . . . . 230 GLU N . 51165 3 680 . 1 . 1 207 207 ALA H H 1 7.107 0.004 . 1 . . . . . 231 ALA H . 51165 3 681 . 1 . 1 207 207 ALA C C 13 176.597 0.012 . 1 . . . . . 231 ALA C . 51165 3 682 . 1 . 1 207 207 ALA CA C 13 53.701 0.017 . 1 . . . . . 231 ALA CA . 51165 3 683 . 1 . 1 207 207 ALA CB C 13 19.647 0.000 . 1 . . . . . 231 ALA CB . 51165 3 684 . 1 . 1 207 207 ALA N N 15 121.873 0.017 . 1 . . . . . 231 ALA N . 51165 3 685 . 1 . 1 208 208 GLN H H 1 8.773 0.006 . 1 . . . . . 232 GLN H . 51165 3 686 . 1 . 1 208 208 GLN C C 13 175.127 0.000 . 1 . . . . . 232 GLN C . 51165 3 687 . 1 . 1 208 208 GLN CA C 13 56.176 0.102 . 1 . . . . . 232 GLN CA . 51165 3 688 . 1 . 1 208 208 GLN CB C 13 31.219 0.000 . 1 . . . . . 232 GLN CB . 51165 3 689 . 1 . 1 208 208 GLN N N 15 119.964 0.016 . 1 . . . . . 232 GLN N . 51165 3 690 . 1 . 1 209 209 PHE H H 1 7.550 0.010 . 1 . . . . . 233 PHE H . 51165 3 691 . 1 . 1 209 209 PHE C C 13 174.033 0.027 . 1 . . . . . 233 PHE C . 51165 3 692 . 1 . 1 209 209 PHE CA C 13 56.712 0.017 . 1 . . . . . 233 PHE CA . 51165 3 693 . 1 . 1 209 209 PHE CB C 13 43.075 0.000 . 1 . . . . . 233 PHE CB . 51165 3 694 . 1 . 1 209 209 PHE N N 15 117.529 0.041 . 1 . . . . . 233 PHE N . 51165 3 695 . 1 . 1 210 210 VAL H H 1 9.184 0.004 . 1 . . . . . 234 VAL H . 51165 3 696 . 1 . 1 210 210 VAL C C 13 174.252 0.000 . 1 . . . . . 234 VAL C . 51165 3 697 . 1 . 1 210 210 VAL CA C 13 60.617 0.113 . 1 . . . . . 234 VAL CA . 51165 3 698 . 1 . 1 210 210 VAL N N 15 125.040 0.037 . 1 . . . . . 234 VAL N . 51165 3 699 . 1 . 1 211 211 ILE H H 1 8.820 0.007 . 1 . . . . . 235 ILE H . 51165 3 700 . 1 . 1 211 211 ILE CA C 13 56.437 0.000 . 1 . . . . . 235 ILE CA . 51165 3 701 . 1 . 1 211 211 ILE N N 15 125.855 0.015 . 1 . . . . . 235 ILE N . 51165 3 702 . 1 . 1 213 213 GLY C C 13 171.836 0.000 . 1 . . . . . 237 GLY C . 51165 3 703 . 1 . 1 214 214 HIS H H 1 7.503 0.005 . 1 . . . . . 238 HIS H . 51165 3 704 . 1 . 1 214 214 HIS C C 13 173.858 0.000 . 1 . . . . . 238 HIS C . 51165 3 705 . 1 . 1 214 214 HIS CA C 13 55.700 0.022 . 1 . . . . . 238 HIS CA . 51165 3 706 . 1 . 1 214 214 HIS N N 15 114.173 0.012 . 1 . . . . . 238 HIS N . 51165 3 707 . 1 . 1 215 215 GLY H H 1 9.015 0.009 . 1 . . . . . 239 GLY H . 51165 3 708 . 1 . 1 215 215 GLY C C 13 173.319 0.000 . 1 . . . . . 239 GLY C . 51165 3 709 . 1 . 1 215 215 GLY CA C 13 44.555 0.004 . 1 . . . . . 239 GLY CA . 51165 3 710 . 1 . 1 215 215 GLY N N 15 112.358 0.023 . 1 . . . . . 239 GLY N . 51165 3 711 . 1 . 1 216 216 LEU H H 1 7.819 0.011 . 1 . . . . . 240 LEU H . 51165 3 712 . 1 . 1 216 216 LEU CA C 13 53.753 0.000 . 1 . . . . . 240 LEU CA . 51165 3 713 . 1 . 1 216 216 LEU N N 15 119.255 0.021 . 1 . . . . . 240 LEU N . 51165 3 714 . 1 . 1 217 217 PRO C C 13 175.871 0.000 . 1 . . . . . 241 PRO C . 51165 3 715 . 1 . 1 217 217 PRO CA C 13 62.069 0.020 . 1 . . . . . 241 PRO CA . 51165 3 716 . 1 . 1 218 218 GLY H H 1 8.405 0.007 . 1 . . . . . 242 GLY H . 51165 3 717 . 1 . 1 218 218 GLY C C 13 172.364 0.000 . 1 . . . . . 242 GLY C . 51165 3 718 . 1 . 1 218 218 GLY CA C 13 46.423 0.011 . 1 . . . . . 242 GLY CA . 51165 3 719 . 1 . 1 218 218 GLY N N 15 108.766 0.059 . 1 . . . . . 242 GLY N . 51165 3 720 . 1 . 1 219 219 GLY H H 1 8.466 0.006 . 1 . . . . . 243 GLY H . 51165 3 721 . 1 . 1 219 219 GLY C C 13 174.818 0.000 . 1 . . . . . 243 GLY C . 51165 3 722 . 1 . 1 219 219 GLY CA C 13 44.000 0.022 . 1 . . . . . 243 GLY CA . 51165 3 723 . 1 . 1 219 219 GLY N N 15 114.801 0.057 . 1 . . . . . 243 GLY N . 51165 3 724 . 1 . 1 220 220 LEU H H 1 8.848 0.004 . 1 . . . . . 244 LEU H . 51165 3 725 . 1 . 1 220 220 LEU C C 13 179.231 0.000 . 1 . . . . . 244 LEU C . 51165 3 726 . 1 . 1 220 220 LEU CA C 13 57.732 0.039 . 1 . . . . . 244 LEU CA . 51165 3 727 . 1 . 1 220 220 LEU N N 15 120.654 0.022 . 1 . . . . . 244 LEU N . 51165 3 728 . 1 . 1 221 221 ASP H H 1 9.544 0.007 . 1 . . . . . 245 ASP H . 51165 3 729 . 1 . 1 221 221 ASP C C 13 178.338 0.007 . 1 . . . . . 245 ASP C . 51165 3 730 . 1 . 1 221 221 ASP CA C 13 56.603 0.049 . 1 . . . . . 245 ASP CA . 51165 3 731 . 1 . 1 221 221 ASP CB C 13 38.413 0.000 . 1 . . . . . 245 ASP CB . 51165 3 732 . 1 . 1 221 221 ASP N N 15 120.345 0.031 . 1 . . . . . 245 ASP N . 51165 3 733 . 1 . 1 222 222 LEU H H 1 8.331 0.006 . 1 . . . . . 246 LEU H . 51165 3 734 . 1 . 1 222 222 LEU C C 13 180.368 0.000 . 1 . . . . . 246 LEU C . 51165 3 735 . 1 . 1 222 222 LEU CA C 13 59.635 0.016 . 1 . . . . . 246 LEU CA . 51165 3 736 . 1 . 1 222 222 LEU N N 15 120.387 0.017 . 1 . . . . . 246 LEU N . 51165 3 737 . 1 . 1 223 223 LEU H H 1 8.158 0.003 . 1 . . . . . 247 LEU H . 51165 3 738 . 1 . 1 223 223 LEU C C 13 177.351 0.000 . 1 . . . . . 247 LEU C . 51165 3 739 . 1 . 1 223 223 LEU CA C 13 60.355 0.126 . 1 . . . . . 247 LEU CA . 51165 3 740 . 1 . 1 223 223 LEU N N 15 122.603 0.006 . 1 . . . . . 247 LEU N . 51165 3 741 . 1 . 1 224 224 LYS H H 1 6.865 0.007 . 1 . . . . . 248 LYS H . 51165 3 742 . 1 . 1 224 224 LYS C C 13 178.119 0.000 . 1 . . . . . 248 LYS C . 51165 3 743 . 1 . 1 224 224 LYS CA C 13 58.939 0.030 . 1 . . . . . 248 LYS CA . 51165 3 744 . 1 . 1 224 224 LYS CB C 13 32.253 0.000 . 1 . . . . . 248 LYS CB . 51165 3 745 . 1 . 1 224 224 LYS N N 15 120.050 0.047 . 1 . . . . . 248 LYS N . 51165 3 746 . 1 . 1 225 225 HIS H H 1 8.236 0.005 . 1 . . . . . 249 HIS H . 51165 3 747 . 1 . 1 225 225 HIS C C 13 176.398 0.000 . 1 . . . . . 249 HIS C . 51165 3 748 . 1 . 1 225 225 HIS CA C 13 59.839 0.021 . 1 . . . . . 249 HIS CA . 51165 3 749 . 1 . 1 225 225 HIS N N 15 117.675 0.013 . 1 . . . . . 249 HIS N . 51165 3 750 . 1 . 1 226 226 THR H H 1 7.855 0.003 . 1 . . . . . 250 THR H . 51165 3 751 . 1 . 1 226 226 THR C C 13 175.021 0.000 . 1 . . . . . 250 THR C . 51165 3 752 . 1 . 1 226 226 THR CA C 13 68.687 0.000 . 1 . . . . . 250 THR CA . 51165 3 753 . 1 . 1 226 226 THR N N 15 113.903 0.014 . 1 . . . . . 250 THR N . 51165 3 754 . 1 . 1 227 227 THR H H 1 7.682 0.016 . 1 . . . . . 251 THR H . 51165 3 755 . 1 . 1 227 227 THR C C 13 174.801 0.000 . 1 . . . . . 251 THR C . 51165 3 756 . 1 . 1 227 227 THR CA C 13 67.992 0.006 . 1 . . . . . 251 THR CA . 51165 3 757 . 1 . 1 227 227 THR CB C 13 68.708 0.000 . 1 . . . . . 251 THR CB . 51165 3 758 . 1 . 1 227 227 THR N N 15 116.613 0.045 . 1 . . . . . 251 THR N . 51165 3 759 . 1 . 1 228 228 ASN H H 1 7.833 0.007 . 1 . . . . . 252 ASN H . 51165 3 760 . 1 . 1 228 228 ASN C C 13 178.223 0.027 . 1 . . . . . 252 ASN C . 51165 3 761 . 1 . 1 228 228 ASN CA C 13 56.065 0.096 . 1 . . . . . 252 ASN CA . 51165 3 762 . 1 . 1 228 228 ASN CB C 13 37.159 0.000 . 1 . . . . . 252 ASN CB . 51165 3 763 . 1 . 1 228 228 ASN N N 15 119.666 0.014 . 1 . . . . . 252 ASN N . 51165 3 764 . 1 . 1 229 229 VAL H H 1 7.997 0.007 . 1 . . . . . 253 VAL H . 51165 3 765 . 1 . 1 229 229 VAL C C 13 178.712 0.000 . 1 . . . . . 253 VAL C . 51165 3 766 . 1 . 1 229 229 VAL CA C 13 66.692 0.057 . 1 . . . . . 253 VAL CA . 51165 3 767 . 1 . 1 229 229 VAL N N 15 122.125 0.047 . 1 . . . . . 253 VAL N . 51165 3 768 . 1 . 1 230 230 VAL H H 1 8.073 0.006 . 1 . . . . . 254 VAL H . 51165 3 769 . 1 . 1 230 230 VAL C C 13 178.774 0.000 . 1 . . . . . 254 VAL C . 51165 3 770 . 1 . 1 230 230 VAL CA C 13 66.860 0.064 . 1 . . . . . 254 VAL CA . 51165 3 771 . 1 . 1 230 230 VAL N N 15 119.238 0.016 . 1 . . . . . 254 VAL N . 51165 3 772 . 1 . 1 231 231 LYS H H 1 8.436 0.008 . 1 . . . . . 255 LYS H . 51165 3 773 . 1 . 1 231 231 LYS C C 13 178.673 0.000 . 1 . . . . . 255 LYS C . 51165 3 774 . 1 . 1 231 231 LYS CA C 13 59.669 0.008 . 1 . . . . . 255 LYS CA . 51165 3 775 . 1 . 1 231 231 LYS N N 15 119.531 0.024 . 1 . . . . . 255 LYS N . 51165 3 776 . 1 . 1 232 232 ALA H H 1 7.795 0.005 . 1 . . . . . 256 ALA H . 51165 3 777 . 1 . 1 232 232 ALA C C 13 179.233 0.002 . 1 . . . . . 256 ALA C . 51165 3 778 . 1 . 1 232 232 ALA CA C 13 54.075 0.106 . 1 . . . . . 256 ALA CA . 51165 3 779 . 1 . 1 232 232 ALA CB C 13 18.305 0.000 . 1 . . . . . 256 ALA CB . 51165 3 780 . 1 . 1 232 232 ALA N N 15 120.486 0.040 . 1 . . . . . 256 ALA N . 51165 3 781 . 1 . 1 233 233 HIS H H 1 7.790 0.001 . 1 . . . . . 257 HIS H . 51165 3 782 . 1 . 1 233 233 HIS C C 13 176.948 0.000 . 1 . . . . . 257 HIS C . 51165 3 783 . 1 . 1 233 233 HIS CA C 13 59.191 0.060 . 1 . . . . . 257 HIS CA . 51165 3 784 . 1 . 1 233 233 HIS N N 15 118.252 0.008 . 1 . . . . . 257 HIS N . 51165 3 785 . 1 . 1 234 234 THR H H 1 7.821 0.005 . 1 . . . . . 258 THR H . 51165 3 786 . 1 . 1 234 234 THR C C 13 174.770 0.000 . 1 . . . . . 258 THR C . 51165 3 787 . 1 . 1 234 234 THR CA C 13 63.413 0.088 . 1 . . . . . 258 THR CA . 51165 3 788 . 1 . 1 234 234 THR CB C 13 69.343 0.000 . 1 . . . . . 258 THR CB . 51165 3 789 . 1 . 1 234 234 THR N N 15 111.913 0.016 . 1 . . . . . 258 THR N . 51165 3 790 . 1 . 1 235 235 ASN H H 1 8.079 0.005 . 1 . . . . . 259 ASN H . 51165 3 791 . 1 . 1 235 235 ASN C C 13 175.101 0.006 . 1 . . . . . 259 ASN C . 51165 3 792 . 1 . 1 235 235 ASN CA C 13 53.793 0.039 . 1 . . . . . 259 ASN CA . 51165 3 793 . 1 . 1 235 235 ASN CB C 13 38.789 0.025 . 1 . . . . . 259 ASN CB . 51165 3 794 . 1 . 1 235 235 ASN N N 15 120.204 0.013 . 1 . . . . . 259 ASN N . 51165 3 795 . 1 . 1 236 236 ARG H H 1 7.938 0.007 . 1 . . . . . 260 ARG H . 51165 3 796 . 1 . 1 236 236 ARG C C 13 176.202 0.004 . 1 . . . . . 260 ARG C . 51165 3 797 . 1 . 1 236 236 ARG CA C 13 56.465 0.029 . 1 . . . . . 260 ARG CA . 51165 3 798 . 1 . 1 236 236 ARG CB C 13 30.536 0.078 . 1 . . . . . 260 ARG CB . 51165 3 799 . 1 . 1 236 236 ARG N N 15 120.582 0.032 . 1 . . . . . 260 ARG N . 51165 3 800 . 1 . 1 237 237 SER H H 1 8.282 0.006 . 1 . . . . . 261 SER H . 51165 3 801 . 1 . 1 237 237 SER C C 13 174.269 0.004 . 1 . . . . . 261 SER C . 51165 3 802 . 1 . 1 237 237 SER CA C 13 58.606 0.046 . 1 . . . . . 261 SER CA . 51165 3 803 . 1 . 1 237 237 SER CB C 13 63.950 0.007 . 1 . . . . . 261 SER CB . 51165 3 804 . 1 . 1 237 237 SER N N 15 116.563 0.008 . 1 . . . . . 261 SER N . 51165 3 805 . 1 . 1 238 238 VAL H H 1 8.058 0.002 . 1 . . . . . 262 VAL H . 51165 3 806 . 1 . 1 238 238 VAL C C 13 175.832 0.006 . 1 . . . . . 262 VAL C . 51165 3 807 . 1 . 1 238 238 VAL CA C 13 62.214 0.040 . 1 . . . . . 262 VAL CA . 51165 3 808 . 1 . 1 238 238 VAL CB C 13 32.817 0.017 . 1 . . . . . 262 VAL CB . 51165 3 809 . 1 . 1 238 238 VAL N N 15 121.494 0.012 . 1 . . . . . 262 VAL N . 51165 3 810 . 1 . 1 239 239 VAL H H 1 8.184 0.002 . 1 . . . . . 263 VAL H . 51165 3 811 . 1 . 1 239 239 VAL C C 13 175.070 0.009 . 1 . . . . . 263 VAL C . 51165 3 812 . 1 . 1 239 239 VAL CA C 13 62.382 0.042 . 1 . . . . . 263 VAL CA . 51165 3 813 . 1 . 1 239 239 VAL CB C 13 32.786 0.011 . 1 . . . . . 263 VAL CB . 51165 3 814 . 1 . 1 239 239 VAL N N 15 123.993 0.005 . 1 . . . . . 263 VAL N . 51165 3 815 . 1 . 1 240 240 GLU H H 1 7.977 0.002 . 1 . . . . . 264 GLU H . 51165 3 816 . 1 . 1 240 240 GLU C C 13 180.785 0.000 . 1 . . . . . 264 GLU C . 51165 3 817 . 1 . 1 240 240 GLU CA C 13 58.160 0.029 . 1 . . . . . 264 GLU CA . 51165 3 818 . 1 . 1 240 240 GLU CB C 13 31.319 0.000 . 1 . . . . . 264 GLU CB . 51165 3 819 . 1 . 1 240 240 GLU N N 15 129.962 0.010 . 1 . . . . . 264 GLU N . 51165 3 stop_ save_