data_27976 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27976 _Entry.Title ; Mouse Lemur Biliverdin B bound to NADP ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-07-16 _Entry.Accession_date 2019-07-16 _Entry.Last_release_date 2019-07-18 _Entry.Original_release_date 2019-07-18 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Elan Eisenmesser . . . . 27976 2 Jasmina Redzic . . . . 27976 3 Natasia Paukovich . . . . 27976 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27976 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 331 27976 '15N chemical shifts' 178 27976 '1H chemical shifts' 178 27976 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 . . 2020-09-28 . original BMRB . 27976 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27975 'Mouse Lemur BLVRB monomer' 27976 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27976 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32246827 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structure, dynamics and function of the evolutionarily changing biliverdin reductase B family ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biochem.' _Citation.Journal_name_full 'Journal of biochemistry' _Citation.Journal_volume 168 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1756-2651 _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 191 _Citation.Page_last 202 _Citation.Year 2020 _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 Michael Duff M. R. . . 27976 1 2 Jasmina Redzic J. S. . . 27976 1 3 Lucas Ryan L. P. . . 27976 1 4 Natasia Paukovich N. . . . 27976 1 5 Rui Zhao R. . . . 27976 1 6 Jay Nix J. C. . . 27976 1 7 Todd Pitts T. M. . . 27976 1 8 Pratul Agarwal P. . . . 27976 1 9 'Elan Zohar' Eisenmesser E. Z. . . 27976 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27976 _Assembly.ID 1 _Assembly.Name 'Mouse Lemur BLVRB monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Mouse Lemur BLVRB monomer' 1 $Mouse_Lemur_BLVRB A . yes native no no . . . 27976 1 2 ligand 2 $entity_NAP A . no native no no . . . 27976 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 6OQG . . X-ray . . . 27976 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Mouse_Lemur_BLVRB _Entity.Sf_category entity _Entity.Sf_framecode Mouse_Lemur_BLVRB _Entity.Entry_ID 27976 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Mouse_Lemur_BLVRB _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 ; MGHHHHHHLVPRGSMAVKKI VIFGATGRTGLTTLAQAVQA GYEVTVLVRDSSRLPSEGPR PARVIVGDVRHAADVDKAVA GQDAVVVLLGTGNDLSPTTV MSEGARNIVAAMKAHGVDKV VACTSAFLLWDPAKVPPRLQ DVTDDHIRMHKVLQESGLKY VAVMPPHIGDQPLTGAYSVT LDGRGPSRVISKHDLGHFML HCLTTAEYDGHSTYPSHQYD ; _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 220 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 -13 MET . 27976 1 2 -12 GLY . 27976 1 3 -11 HIS . 27976 1 4 -10 HIS . 27976 1 5 -9 HIS . 27976 1 6 -8 HIS . 27976 1 7 -7 HIS . 27976 1 8 -6 HIS . 27976 1 9 -5 LEU . 27976 1 10 -4 VAL . 27976 1 11 -3 PRO . 27976 1 12 -2 ARG . 27976 1 13 -1 GLY . 27976 1 14 0 SER . 27976 1 15 1 MET . 27976 1 16 2 ALA . 27976 1 17 3 VAL . 27976 1 18 4 LYS . 27976 1 19 5 LYS . 27976 1 20 6 ILE . 27976 1 21 7 VAL . 27976 1 22 8 ILE . 27976 1 23 9 PHE . 27976 1 24 10 GLY . 27976 1 25 11 ALA . 27976 1 26 12 THR . 27976 1 27 13 GLY . 27976 1 28 14 ARG . 27976 1 29 15 THR . 27976 1 30 16 GLY . 27976 1 31 17 LEU . 27976 1 32 18 THR . 27976 1 33 19 THR . 27976 1 34 20 LEU . 27976 1 35 21 ALA . 27976 1 36 22 GLN . 27976 1 37 23 ALA . 27976 1 38 24 VAL . 27976 1 39 25 GLN . 27976 1 40 26 ALA . 27976 1 41 27 GLY . 27976 1 42 28 TYR . 27976 1 43 29 GLU . 27976 1 44 30 VAL . 27976 1 45 31 THR . 27976 1 46 32 VAL . 27976 1 47 33 LEU . 27976 1 48 34 VAL . 27976 1 49 35 ARG . 27976 1 50 36 ASP . 27976 1 51 37 SER . 27976 1 52 38 SER . 27976 1 53 39 ARG . 27976 1 54 40 LEU . 27976 1 55 41 PRO . 27976 1 56 42 SER . 27976 1 57 43 GLU . 27976 1 58 44 GLY . 27976 1 59 45 PRO . 27976 1 60 46 ARG . 27976 1 61 47 PRO . 27976 1 62 48 ALA . 27976 1 63 49 ARG . 27976 1 64 50 VAL . 27976 1 65 51 ILE . 27976 1 66 52 VAL . 27976 1 67 53 GLY . 27976 1 68 54 ASP . 27976 1 69 55 VAL . 27976 1 70 56 ARG . 27976 1 71 57 HIS . 27976 1 72 58 ALA . 27976 1 73 59 ALA . 27976 1 74 60 ASP . 27976 1 75 61 VAL . 27976 1 76 62 ASP . 27976 1 77 63 LYS . 27976 1 78 64 ALA . 27976 1 79 65 VAL . 27976 1 80 66 ALA . 27976 1 81 67 GLY . 27976 1 82 68 GLN . 27976 1 83 69 ASP . 27976 1 84 70 ALA . 27976 1 85 71 VAL . 27976 1 86 72 VAL . 27976 1 87 73 VAL . 27976 1 88 74 LEU . 27976 1 89 75 LEU . 27976 1 90 76 GLY . 27976 1 91 77 THR . 27976 1 92 78 GLY . 27976 1 93 79 ASN . 27976 1 94 80 ASP . 27976 1 95 81 LEU . 27976 1 96 82 SER . 27976 1 97 83 PRO . 27976 1 98 84 THR . 27976 1 99 85 THR . 27976 1 100 86 VAL . 27976 1 101 87 MET . 27976 1 102 88 SER . 27976 1 103 89 GLU . 27976 1 104 90 GLY . 27976 1 105 91 ALA . 27976 1 106 92 ARG . 27976 1 107 93 ASN . 27976 1 108 94 ILE . 27976 1 109 95 VAL . 27976 1 110 96 ALA . 27976 1 111 97 ALA . 27976 1 112 98 MET . 27976 1 113 99 LYS . 27976 1 114 100 ALA . 27976 1 115 101 HIS . 27976 1 116 102 GLY . 27976 1 117 103 VAL . 27976 1 118 104 ASP . 27976 1 119 105 LYS . 27976 1 120 106 VAL . 27976 1 121 107 VAL . 27976 1 122 108 ALA . 27976 1 123 109 CYS . 27976 1 124 110 THR . 27976 1 125 111 SER . 27976 1 126 112 ALA . 27976 1 127 113 PHE . 27976 1 128 114 LEU . 27976 1 129 115 LEU . 27976 1 130 116 TRP . 27976 1 131 117 ASP . 27976 1 132 118 PRO . 27976 1 133 119 ALA . 27976 1 134 120 LYS . 27976 1 135 121 VAL . 27976 1 136 122 PRO . 27976 1 137 123 PRO . 27976 1 138 124 ARG . 27976 1 139 125 LEU . 27976 1 140 126 GLN . 27976 1 141 127 ASP . 27976 1 142 128 VAL . 27976 1 143 129 THR . 27976 1 144 130 ASP . 27976 1 145 131 ASP . 27976 1 146 132 HIS . 27976 1 147 133 ILE . 27976 1 148 134 ARG . 27976 1 149 135 MET . 27976 1 150 136 HIS . 27976 1 151 137 LYS . 27976 1 152 138 VAL . 27976 1 153 139 LEU . 27976 1 154 140 GLN . 27976 1 155 141 GLU . 27976 1 156 142 SER . 27976 1 157 143 GLY . 27976 1 158 144 LEU . 27976 1 159 145 LYS . 27976 1 160 146 TYR . 27976 1 161 147 VAL . 27976 1 162 148 ALA . 27976 1 163 149 VAL . 27976 1 164 150 MET . 27976 1 165 151 PRO . 27976 1 166 152 PRO . 27976 1 167 153 HIS . 27976 1 168 154 ILE . 27976 1 169 155 GLY . 27976 1 170 156 ASP . 27976 1 171 157 GLN . 27976 1 172 158 PRO . 27976 1 173 159 LEU . 27976 1 174 160 THR . 27976 1 175 161 GLY . 27976 1 176 162 ALA . 27976 1 177 163 TYR . 27976 1 178 164 SER . 27976 1 179 165 VAL . 27976 1 180 166 THR . 27976 1 181 167 LEU . 27976 1 182 168 ASP . 27976 1 183 169 GLY . 27976 1 184 170 ARG . 27976 1 185 171 GLY . 27976 1 186 172 PRO . 27976 1 187 173 SER . 27976 1 188 174 ARG . 27976 1 189 175 VAL . 27976 1 190 176 ILE . 27976 1 191 177 SER . 27976 1 192 178 LYS . 27976 1 193 179 HIS . 27976 1 194 180 ASP . 27976 1 195 181 LEU . 27976 1 196 182 GLY . 27976 1 197 183 HIS . 27976 1 198 184 PHE . 27976 1 199 185 MET . 27976 1 200 186 LEU . 27976 1 201 187 HIS . 27976 1 202 188 CYS . 27976 1 203 189 LEU . 27976 1 204 190 THR . 27976 1 205 191 THR . 27976 1 206 192 ALA . 27976 1 207 193 GLU . 27976 1 208 194 TYR . 27976 1 209 195 ASP . 27976 1 210 196 GLY . 27976 1 211 197 HIS . 27976 1 212 198 SER . 27976 1 213 199 THR . 27976 1 214 200 TYR . 27976 1 215 201 PRO . 27976 1 216 202 SER . 27976 1 217 203 HIS . 27976 1 218 204 GLN . 27976 1 219 205 TYR . 27976 1 220 206 ASP . 27976 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 27976 1 . GLY 2 2 27976 1 . HIS 3 3 27976 1 . HIS 4 4 27976 1 . HIS 5 5 27976 1 . HIS 6 6 27976 1 . HIS 7 7 27976 1 . HIS 8 8 27976 1 . LEU 9 9 27976 1 . VAL 10 10 27976 1 . PRO 11 11 27976 1 . ARG 12 12 27976 1 . GLY 13 13 27976 1 . SER 14 14 27976 1 . MET 15 15 27976 1 . ALA 16 16 27976 1 . VAL 17 17 27976 1 . LYS 18 18 27976 1 . LYS 19 19 27976 1 . ILE 20 20 27976 1 . VAL 21 21 27976 1 . ILE 22 22 27976 1 . PHE 23 23 27976 1 . GLY 24 24 27976 1 . ALA 25 25 27976 1 . THR 26 26 27976 1 . GLY 27 27 27976 1 . ARG 28 28 27976 1 . THR 29 29 27976 1 . GLY 30 30 27976 1 . LEU 31 31 27976 1 . THR 32 32 27976 1 . THR 33 33 27976 1 . LEU 34 34 27976 1 . ALA 35 35 27976 1 . GLN 36 36 27976 1 . ALA 37 37 27976 1 . VAL 38 38 27976 1 . GLN 39 39 27976 1 . ALA 40 40 27976 1 . GLY 41 41 27976 1 . TYR 42 42 27976 1 . GLU 43 43 27976 1 . VAL 44 44 27976 1 . THR 45 45 27976 1 . VAL 46 46 27976 1 . LEU 47 47 27976 1 . VAL 48 48 27976 1 . ARG 49 49 27976 1 . ASP 50 50 27976 1 . SER 51 51 27976 1 . SER 52 52 27976 1 . ARG 53 53 27976 1 . LEU 54 54 27976 1 . PRO 55 55 27976 1 . SER 56 56 27976 1 . GLU 57 57 27976 1 . GLY 58 58 27976 1 . PRO 59 59 27976 1 . ARG 60 60 27976 1 . PRO 61 61 27976 1 . ALA 62 62 27976 1 . ARG 63 63 27976 1 . VAL 64 64 27976 1 . ILE 65 65 27976 1 . VAL 66 66 27976 1 . GLY 67 67 27976 1 . ASP 68 68 27976 1 . VAL 69 69 27976 1 . ARG 70 70 27976 1 . HIS 71 71 27976 1 . ALA 72 72 27976 1 . ALA 73 73 27976 1 . ASP 74 74 27976 1 . VAL 75 75 27976 1 . ASP 76 76 27976 1 . LYS 77 77 27976 1 . ALA 78 78 27976 1 . VAL 79 79 27976 1 . ALA 80 80 27976 1 . GLY 81 81 27976 1 . GLN 82 82 27976 1 . ASP 83 83 27976 1 . ALA 84 84 27976 1 . VAL 85 85 27976 1 . VAL 86 86 27976 1 . VAL 87 87 27976 1 . LEU 88 88 27976 1 . LEU 89 89 27976 1 . GLY 90 90 27976 1 . THR 91 91 27976 1 . GLY 92 92 27976 1 . ASN 93 93 27976 1 . ASP 94 94 27976 1 . LEU 95 95 27976 1 . SER 96 96 27976 1 . PRO 97 97 27976 1 . THR 98 98 27976 1 . THR 99 99 27976 1 . VAL 100 100 27976 1 . MET 101 101 27976 1 . SER 102 102 27976 1 . GLU 103 103 27976 1 . GLY 104 104 27976 1 . ALA 105 105 27976 1 . ARG 106 106 27976 1 . ASN 107 107 27976 1 . ILE 108 108 27976 1 . VAL 109 109 27976 1 . ALA 110 110 27976 1 . ALA 111 111 27976 1 . MET 112 112 27976 1 . LYS 113 113 27976 1 . ALA 114 114 27976 1 . HIS 115 115 27976 1 . GLY 116 116 27976 1 . VAL 117 117 27976 1 . ASP 118 118 27976 1 . LYS 119 119 27976 1 . VAL 120 120 27976 1 . VAL 121 121 27976 1 . ALA 122 122 27976 1 . CYS 123 123 27976 1 . THR 124 124 27976 1 . SER 125 125 27976 1 . ALA 126 126 27976 1 . PHE 127 127 27976 1 . LEU 128 128 27976 1 . LEU 129 129 27976 1 . TRP 130 130 27976 1 . ASP 131 131 27976 1 . PRO 132 132 27976 1 . ALA 133 133 27976 1 . LYS 134 134 27976 1 . VAL 135 135 27976 1 . PRO 136 136 27976 1 . PRO 137 137 27976 1 . ARG 138 138 27976 1 . LEU 139 139 27976 1 . GLN 140 140 27976 1 . ASP 141 141 27976 1 . VAL 142 142 27976 1 . THR 143 143 27976 1 . ASP 144 144 27976 1 . ASP 145 145 27976 1 . HIS 146 146 27976 1 . ILE 147 147 27976 1 . ARG 148 148 27976 1 . MET 149 149 27976 1 . HIS 150 150 27976 1 . LYS 151 151 27976 1 . VAL 152 152 27976 1 . LEU 153 153 27976 1 . GLN 154 154 27976 1 . GLU 155 155 27976 1 . SER 156 156 27976 1 . GLY 157 157 27976 1 . LEU 158 158 27976 1 . LYS 159 159 27976 1 . TYR 160 160 27976 1 . VAL 161 161 27976 1 . ALA 162 162 27976 1 . VAL 163 163 27976 1 . MET 164 164 27976 1 . PRO 165 165 27976 1 . PRO 166 166 27976 1 . HIS 167 167 27976 1 . ILE 168 168 27976 1 . GLY 169 169 27976 1 . ASP 170 170 27976 1 . GLN 171 171 27976 1 . PRO 172 172 27976 1 . LEU 173 173 27976 1 . THR 174 174 27976 1 . GLY 175 175 27976 1 . ALA 176 176 27976 1 . TYR 177 177 27976 1 . SER 178 178 27976 1 . VAL 179 179 27976 1 . THR 180 180 27976 1 . LEU 181 181 27976 1 . ASP 182 182 27976 1 . GLY 183 183 27976 1 . ARG 184 184 27976 1 . GLY 185 185 27976 1 . PRO 186 186 27976 1 . SER 187 187 27976 1 . ARG 188 188 27976 1 . VAL 189 189 27976 1 . ILE 190 190 27976 1 . SER 191 191 27976 1 . LYS 192 192 27976 1 . HIS 193 193 27976 1 . ASP 194 194 27976 1 . LEU 195 195 27976 1 . GLY 196 196 27976 1 . HIS 197 197 27976 1 . PHE 198 198 27976 1 . MET 199 199 27976 1 . LEU 200 200 27976 1 . HIS 201 201 27976 1 . CYS 202 202 27976 1 . LEU 203 203 27976 1 . THR 204 204 27976 1 . THR 205 205 27976 1 . ALA 206 206 27976 1 . GLU 207 207 27976 1 . TYR 208 208 27976 1 . ASP 209 209 27976 1 . GLY 210 210 27976 1 . HIS 211 211 27976 1 . SER 212 212 27976 1 . THR 213 213 27976 1 . TYR 214 214 27976 1 . PRO 215 215 27976 1 . SER 216 216 27976 1 . HIS 217 217 27976 1 . GLN 218 218 27976 1 . TYR 219 219 27976 1 . ASP 220 220 27976 1 stop_ save_ save_entity_NAP _Entity.Sf_category entity _Entity.Sf_framecode entity_NAP _Entity.Entry_ID 27976 _Entity.ID 2 _Entity.BMRB_code NAP _Entity.Name 'NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE' _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 NAP _Entity.Nonpolymer_comp_label $chem_comp_NAP _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 743.405 _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 'NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE' BMRB 27976 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE' BMRB 27976 2 NAP 'Three letter code' 27976 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 NAP $chem_comp_NAP 27976 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27976 _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 $Mouse_Lemur_BLVRB . 30608 organism . 'Microcebus murinus' 'gray mouse lemur' . . Eukaryota Metazoa Microcebus murinus . . . . . . . . . . . . . 27976 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 27976 _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 $Mouse_Lemur_BLVRB . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET21 . . . 27976 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_NAP _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_NAP _Chem_comp.Entry_ID 27976 _Chem_comp.ID NAP _Chem_comp.Provenance PDB _Chem_comp.Name 'NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code NAP _Chem_comp.PDB_code NAP _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code NAP _Chem_comp.Number_atoms_all 76 _Chem_comp.Number_atoms_nh 48 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code ; InChI=1S/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1 ; _Chem_comp.Mon_nstd_flag . _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 "2'-MONOPHOSPHOADENOSINE 5'-DIPHOSPHORIBOSE" _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C21 H28 N7 O17 P3' _Chem_comp.Formula_weight 743.405 _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 1D4O _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/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1 ; InChI InChI 1.03 27976 NAP ; NC(=O)c1ccc[n+](c1)[C@@H]2O[C@H](CO[P]([O-])(=O)O[P@@](O)(=O)OC[C@H]3O[C@H]([C@H](O[P](O)(O)=O)[C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]2O ; SMILES_CANONICAL CACTVS 3.341 27976 NAP NC(=O)c1ccc[n+](c1)[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O[P](O)(O)=O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O SMILES CACTVS 3.341 27976 NAP XJLXINKUBYWONI-NNYOXOHSSA-N InChIKey InChI 1.03 27976 NAP c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N SMILES 'OpenEye OEToolkits' 1.5.0 27976 NAP ; c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N ; SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 27976 NAP 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 ; [(2R,3S,4R,5R)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphate ; 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 27976 NAP 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 PA PA PA AP . P . . R 0 . . . 1 no no . . . . 17.174 . 26.134 . 12.040 . -0.035 -0.972 0.719 1 . 27976 NAP O1A O1A O1A AO1 . O . . N 0 . . . 1 no no . . . . 16.048 . 25.314 . 12.500 . 0.490 -0.256 1.903 2 . 27976 NAP O2A O2A O2A AO2 . O . . N 0 . . . 1 no no . . . . 18.478 . 26.114 . 12.670 . -0.725 -2.349 1.187 3 . 27976 NAP O5B O5B O5B AO5* . O . . N 0 . . . 1 no no . . . . 17.317 . 25.889 . 10.437 . -1.126 -0.051 -0.026 4 . 27976 NAP C5B C5B C5B AC5* . C . . N 0 . . . 1 no no . . . . 17.813 . 26.990 . 9.495 . -2.109 0.297 0.952 5 . 27976 NAP C4B C4B C4B AC4* . C . . R 0 . . . 1 no no . . . . 17.962 . 26.155 . 8.345 . -3.181 1.177 0.307 6 . 27976 NAP O4B O4B O4B AO4* . O . . N 0 . . . 1 no no . . . . 17.859 . 27.351 . 7.294 . -3.920 0.416 -0.663 7 . 27976 NAP C3B C3B C3B AC3* . C . . R 0 . . . 1 no no . . . . 18.840 . 25.789 . 7.535 . -4.181 1.655 1.377 8 . 27976 NAP O3B O3B O3B AO3* . O . . N 0 . . . 1 no no . . . . 18.208 . 24.597 . 7.839 . -4.196 3.082 1.456 9 . 27976 NAP C2B C2B C2B AC2* . C . . R 0 . . . 1 no no . . . . 19.276 . 25.751 . 6.147 . -5.550 1.124 0.876 10 . 27976 NAP O2B O2B O2B AO2* . O . . N 0 . . . 1 no no . . . . 18.883 . 24.739 . 5.481 . -6.576 2.099 1.071 11 . 27976 NAP C1B C1B C1B AC1* . C . . R 0 . . . 1 no no . . . . 18.394 . 26.894 . 5.988 . -5.279 0.901 -0.633 12 . 27976 NAP N9A N9A N9A AN9 . N . . N 0 . . . 1 yes no . . . . 19.237 . 28.090 . 5.590 . -6.196 -0.101 -1.183 13 . 27976 NAP C8A C8A C8A AC8 . C . . N 0 . . . 1 yes no . . . . 20.466 . 28.637 . 6.011 . -5.978 -1.445 -1.249 14 . 27976 NAP N7A N7A N7A AN7 . N . . N 0 . . . 1 yes no . . . . 20.935 . 29.548 . 5.192 . -7.000 -2.036 -1.795 15 . 27976 NAP C5A C5A C5A AC5 . C . . N 0 . . . 1 yes no . . . . 20.003 . 29.624 . 4.173 . -7.938 -1.111 -2.114 16 . 27976 NAP C6A C6A C6A AC6 . C . . N 0 . . . 1 yes no . . . . 19.935 . 30.402 . 2.975 . -9.210 -1.158 -2.708 17 . 27976 NAP N6A N6A N6A AN6 . N . . N 0 . . . 1 no no . . . . 20.889 . 31.262 . 2.635 . -9.759 -2.363 -3.112 18 . 27976 NAP N1A N1A N1A AN1 . N . . N 0 . . . 1 yes no . . . . 18.841 . 30.230 . 2.153 . -9.874 -0.019 -2.874 19 . 27976 NAP C2A C2A C2A AC2 . C . . N 0 . . . 1 yes no . . . . 17.867 . 29.350 . 2.480 . -9.358 1.135 -2.492 20 . 27976 NAP N3A N3A N3A AN3 . N . . N 0 . . . 1 yes no . . . . 17.859 . 28.574 . 3.579 . -8.171 1.227 -1.931 21 . 27976 NAP C4A C4A C4A AC4 . C . . N 0 . . . 1 yes no . . . . 18.962 . 28.758 . 4.395 . -7.435 0.141 -1.720 22 . 27976 NAP O3 O3 O3 O3 . O . . N 0 . . . 1 no no . . . . 16.458 . 27.566 . 12.208 . 1.175 -1.294 -0.293 23 . 27976 NAP PN PN PN NP . P . . N 0 . . . 1 no no . . . . 15.216 . 28.068 . 13.153 . 2.390 -1.858 0.599 24 . 27976 NAP O1N O1N O1N NO1 . O . . N 0 . . . 1 no no . . . . 13.983 . 27.417 . 12.642 . 2.142 -3.348 0.925 25 . 27976 NAP O2N O2N O2N NO2 . O . . N -1 . . . 1 no no . . . . 15.308 . 29.554 . 13.093 . 2.481 -1.051 1.914 26 . 27976 NAP O5D O5D O5D NO5* . O . . N 0 . . . 1 no no . . . . 15.487 . 27.658 . 14.685 . 3.770 -1.710 -0.218 27 . 27976 NAP C5D C5D C5D NC5* . C . . N 0 . . . 1 no no . . . . 16.599 . 28.169 . 15.475 . 4.818 -2.114 0.665 28 . 27976 NAP C4D C4D C4D NC4* . C . . R 0 . . . 1 no no . . . . 17.395 . 26.968 . 16.025 . 6.164 -1.997 -0.053 29 . 27976 NAP O4D O4D O4D NO4* . O . . N 0 . . . 1 no no . . . . 18.653 . 27.366 . 16.614 . 6.466 -0.613 -0.332 30 . 27976 NAP C3D C3D C3D NC3* . C . . S 0 . . . 1 no no . . . . 16.694 . 26.193 . 17.167 . 7.310 -2.474 0.866 31 . 27976 NAP O3D O3D O3D NO3* . O . . N 0 . . . 1 no no . . . . 17.085 . 24.806 . 17.287 . 7.670 -3.822 0.559 32 . 27976 NAP C2D C2D C2D NC2* . C . . R 0 . . . 1 no no . . . . 17.093 . 26.936 . 18.393 . 8.478 -1.513 0.540 33 . 27976 NAP O2D O2D O2D NO2* . O . . N 0 . . . 1 no no . . . . 16.979 . 26.205 . 19.588 . 9.595 -2.239 0.025 34 . 27976 NAP C1D C1D C1D NC1* . C . . R 0 . . . 1 no no . . . . 18.569 . 27.243 . 18.038 . 7.895 -0.568 -0.534 35 . 27976 NAP N1N N1N N1N NN1 . N . . N 1 . . . 1 yes no . . . . 19.125 . 28.361 . 18.811 . 8.395 0.795 -0.341 36 . 27976 NAP C2N C2N C2N NC2 . C . . N 0 . . . 1 yes no . . . . 18.555 . 29.641 . 18.667 . 9.364 1.237 -1.116 37 . 27976 NAP C3N C3N C3N NC3 . C . . N 0 . . . 1 yes no . . . . 19.141 . 30.683 . 19.465 . 9.869 2.527 -0.955 38 . 27976 NAP C7N C7N C7N NC7 . C . . N 0 . . . 1 no no . . . . 18.652 . 32.050 . 19.414 . 10.961 3.021 -1.820 39 . 27976 NAP O7N O7N O7N NO7 . O . . N 0 . . . 1 no no . . . . 19.161 . 32.943 . 20.102 . 11.430 2.299 -2.678 40 . 27976 NAP N7N N7N N7N NN7 . N . . N 0 . . . 1 no no . . . . 17.622 . 32.390 . 18.616 . 11.437 4.272 -1.658 41 . 27976 NAP C4N C4N C4N NC4 . C . . N 0 . . . 1 yes no . . . . 20.222 . 30.376 . 20.317 . 9.320 3.349 0.037 42 . 27976 NAP C5N C5N C5N NC5 . C . . N 0 . . . 1 yes no . . . . 20.746 . 29.139 . 20.435 . 8.300 2.840 0.821 43 . 27976 NAP C6N C6N C6N NC6 . C . . N 0 . . . 1 yes no . . . . 20.202 . 28.129 . 19.681 . 7.859 1.547 0.601 44 . 27976 NAP P2B P2B P2B AP2* . P . . N 0 . . . 1 no no . . . . 19.664 . 24.555 . 4.097 . -7.765 1.370 1.875 45 . 27976 NAP O1X O1X O1X AOP1 . O . . N 0 . . . 1 no no . . . . 21.117 . 24.360 . 4.404 . -7.226 0.774 3.119 46 . 27976 NAP O2X O2X O2X AOP2 . O . . N 0 . . . 1 no no . . . . 18.964 . 23.410 . 3.543 . -8.903 2.447 2.246 47 . 27976 NAP O3X O3X O3X AOP3 . O . . N 0 . . . 1 no no . . . . 19.391 . 25.798 . 3.381 . -8.402 0.211 0.957 48 . 27976 NAP HOA2 HOA2 HOA2 2HOA . H . . N 0 . . . 0 no no . . . . 19.207 . 26.645 . 12.372 . -1.053 -2.783 0.387 49 . 27976 NAP H51A H51A H51A AH51 . H . . N 0 . . . 0 no no . . . . 17.176 . 27.899 . 9.389 . -2.570 -0.610 1.343 50 . 27976 NAP H52A H52A H52A AH52 . H . . N 0 . . . 0 no no . . . . 18.702 . 27.579 . 9.819 . -1.633 0.843 1.767 51 . 27976 NAP H4B H4B H4B AH4* . H . . N 0 . . . 1 no no . . . . 17.494 . 25.243 . 8.784 . -2.714 2.037 -0.175 52 . 27976 NAP H3B H3B H3B AH3* . H . . N 0 . . . 1 no no . . . . 19.753 . 26.421 . 7.625 . -3.936 1.223 2.347 53 . 27976 NAP HO3A HO3A HO3A AHO3 . H . . N 0 . . . 0 no no . . . . 18.875 . 24.318 . 7.223 . -3.323 3.353 1.772 54 . 27976 NAP H2B H2B H2B AH2* . H . . N 0 . . . 1 no no . . . . 20.353 . 25.734 . 5.862 . -5.809 0.186 1.368 55 . 27976 NAP H1B H1B H1B AH1* . H . . N 0 . . . 1 no no . . . . 17.599 . 26.587 . 5.268 . -5.364 1.839 -1.182 56 . 27976 NAP H8A H8A H8A AH8 . H . . N 0 . . . 1 no no . . . . 21.025 . 28.369 . 6.923 . -5.087 -1.946 -0.899 57 . 27976 NAP H61A H61A H61A AH61 . H . . N 0 . . . 0 no no . . . . 20.840 . 31.816 . 1.780 . -9.265 -3.187 -2.985 58 . 27976 NAP H62A H62A H62A AH62 . H . . N 0 . . . 0 no no . . . . 21.774 . 30.755 . 2.625 . -10.638 -2.382 -3.521 59 . 27976 NAP H2A H2A H2A AH2 . H . . N 0 . . . 1 no no . . . . 17.008 . 29.257 . 1.793 . -9.932 2.037 -2.646 60 . 27976 NAP H51N H51N H51N NH51 . H . . N 0 . . . 0 no no . . . . 17.238 . 28.882 . 14.904 . 4.658 -3.148 0.970 61 . 27976 NAP H52N H52N H52N NH52 . H . . N 0 . . . 0 no no . . . . 16.269 . 28.869 . 16.277 . 4.819 -1.472 1.546 62 . 27976 NAP H4D H4D H4D NH4* . H . . N 0 . . . 1 no no . . . . 17.508 . 26.330 . 15.117 . 6.152 -2.577 -0.976 63 . 27976 NAP H3D H3D H3D NH3* . H . . N 0 . . . 1 no no . . . . 15.595 . 26.147 . 16.979 . 7.022 -2.385 1.913 64 . 27976 NAP HO3N HO3N HO3N NHO3 . H . . N 0 . . . 0 no no . . . . 16.654 . 24.330 . 17.987 . 8.387 -4.064 1.162 65 . 27976 NAP H2D H2D H2D NH2* . H . . N 0 . . . 1 no no . . . . 16.445 . 27.817 . 18.610 . 8.766 -0.948 1.427 66 . 27976 NAP HO2N HO2N HO2N NHO2 . H . . N 0 . . . 0 no no . . . . 17.233 . 26.679 . 20.370 . 9.874 -2.852 0.719 67 . 27976 NAP H1D H1D H1D NH1* . H . . N 0 . . . 1 no no . . . . 19.235 . 26.404 . 18.346 . 8.149 -0.927 -1.532 68 . 27976 NAP H2N H2N H2N NH2 . H . . N 0 . . . 1 no no . . . . 17.710 . 29.814 . 17.978 . 9.778 0.591 -1.876 69 . 27976 NAP H71N H71N H71N NH71 . H . . N 0 . . . 0 no no . . . . 17.202 . 31.653 . 18.048 . 12.153 4.595 -2.226 70 . 27976 NAP H72N H72N H72N NH72 . H . . N 0 . . . 0 no no . . . . 17.278 . 33.349 . 18.580 . 11.060 4.849 -0.976 71 . 27976 NAP H4N H4N H4N NH4 . H . . N 0 . . . 1 no no . . . . 20.691 . 31.159 . 20.935 . 9.684 4.355 0.187 72 . 27976 NAP H5N H5N H5N NH5 . H . . N 0 . . . 1 no no . . . . 21.589 . 28.959 . 21.123 . 7.853 3.445 1.596 73 . 27976 NAP H6N H6N H6N NH6 . H . . N 0 . . . 1 no no . . . . 20.635 . 27.119 . 19.775 . 7.063 1.146 1.211 74 . 27976 NAP HOP2 HOP2 HOP2 2HOP . H . . N 0 . . . 0 no no . . . . 19.427 . 23.300 . 2.721 . -9.594 1.970 2.725 75 . 27976 NAP HOP3 HOP3 HOP3 3HOP . H . . N 0 . . . 0 no no . . . . 19.854 . 25.688 . 2.559 . -8.740 0.640 0.160 76 . 27976 NAP stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB PA O1A no N 1 . 27976 NAP 2 . SING PA O2A no N 2 . 27976 NAP 3 . SING PA O5B no N 3 . 27976 NAP 4 . SING PA O3 no N 4 . 27976 NAP 5 . SING O2A HOA2 no N 5 . 27976 NAP 6 . SING O5B C5B no N 6 . 27976 NAP 7 . SING C5B C4B no N 7 . 27976 NAP 8 . SING C5B H51A no N 8 . 27976 NAP 9 . SING C5B H52A no N 9 . 27976 NAP 10 . SING C4B O4B no N 10 . 27976 NAP 11 . SING C4B C3B no N 11 . 27976 NAP 12 . SING C4B H4B no N 12 . 27976 NAP 13 . SING O4B C1B no N 13 . 27976 NAP 14 . SING C3B O3B no N 14 . 27976 NAP 15 . SING C3B C2B no N 15 . 27976 NAP 16 . SING C3B H3B no N 16 . 27976 NAP 17 . SING O3B HO3A no N 17 . 27976 NAP 18 . SING C2B O2B no N 18 . 27976 NAP 19 . SING C2B C1B no N 19 . 27976 NAP 20 . SING C2B H2B no N 20 . 27976 NAP 21 . SING O2B P2B no N 21 . 27976 NAP 22 . SING C1B N9A no N 22 . 27976 NAP 23 . SING C1B H1B no N 23 . 27976 NAP 24 . SING N9A C8A yes N 24 . 27976 NAP 25 . SING N9A C4A yes N 25 . 27976 NAP 26 . DOUB C8A N7A yes N 26 . 27976 NAP 27 . SING C8A H8A no N 27 . 27976 NAP 28 . SING N7A C5A yes N 28 . 27976 NAP 29 . SING C5A C6A yes N 29 . 27976 NAP 30 . DOUB C5A C4A yes N 30 . 27976 NAP 31 . SING C6A N6A no N 31 . 27976 NAP 32 . DOUB C6A N1A yes N 32 . 27976 NAP 33 . SING N6A H61A no N 33 . 27976 NAP 34 . SING N6A H62A no N 34 . 27976 NAP 35 . SING N1A C2A yes N 35 . 27976 NAP 36 . DOUB C2A N3A yes N 36 . 27976 NAP 37 . SING C2A H2A no N 37 . 27976 NAP 38 . SING N3A C4A yes N 38 . 27976 NAP 39 . SING O3 PN no N 39 . 27976 NAP 40 . DOUB PN O1N no N 40 . 27976 NAP 41 . SING PN O2N no N 41 . 27976 NAP 42 . SING PN O5D no N 42 . 27976 NAP 43 . SING O5D C5D no N 43 . 27976 NAP 44 . SING C5D C4D no N 44 . 27976 NAP 45 . SING C5D H51N no N 45 . 27976 NAP 46 . SING C5D H52N no N 46 . 27976 NAP 47 . SING C4D O4D no N 47 . 27976 NAP 48 . SING C4D C3D no N 48 . 27976 NAP 49 . SING C4D H4D no N 49 . 27976 NAP 50 . SING O4D C1D no N 50 . 27976 NAP 51 . SING C3D O3D no N 51 . 27976 NAP 52 . SING C3D C2D no N 52 . 27976 NAP 53 . SING C3D H3D no N 53 . 27976 NAP 54 . SING O3D HO3N no N 54 . 27976 NAP 55 . SING C2D O2D no N 55 . 27976 NAP 56 . SING C2D C1D no N 56 . 27976 NAP 57 . SING C2D H2D no N 57 . 27976 NAP 58 . SING O2D HO2N no N 58 . 27976 NAP 59 . SING C1D N1N no N 59 . 27976 NAP 60 . SING C1D H1D no N 60 . 27976 NAP 61 . SING N1N C2N yes N 61 . 27976 NAP 62 . DOUB N1N C6N yes N 62 . 27976 NAP 63 . DOUB C2N C3N yes N 63 . 27976 NAP 64 . SING C2N H2N no N 64 . 27976 NAP 65 . SING C3N C7N no N 65 . 27976 NAP 66 . SING C3N C4N yes N 66 . 27976 NAP 67 . DOUB C7N O7N no N 67 . 27976 NAP 68 . SING C7N N7N no N 68 . 27976 NAP 69 . SING N7N H71N no N 69 . 27976 NAP 70 . SING N7N H72N no N 70 . 27976 NAP 71 . DOUB C4N C5N yes N 71 . 27976 NAP 72 . SING C4N H4N no N 72 . 27976 NAP 73 . SING C5N C6N yes N 73 . 27976 NAP 74 . SING C5N H5N no N 74 . 27976 NAP 75 . SING C6N H6N no N 75 . 27976 NAP 76 . DOUB P2B O1X no N 76 . 27976 NAP 77 . SING P2B O2X no N 77 . 27976 NAP 78 . SING P2B O3X no N 78 . 27976 NAP 79 . SING O2X HOP2 no N 79 . 27976 NAP 80 . SING O3X HOP3 no N 80 . 27976 NAP stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27976 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Mouse Lemur BLVRB' '[U-13C; U-15N; U-2H]' . . 1 $Mouse_Lemur_BLVRB . . 0.5 . . mM . . . . 27976 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 27976 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.05 . M 27976 1 pH 6.5 . pH 27976 1 pressure 1 . atm 27976 1 temperature 20 . K 27976 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 27976 _Software.ID 1 _Software.Type . _Software.Name VNMRJ _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 27976 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 27976 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27976 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27976 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27976 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 27976 1 2 spectrometer_2 Varian DRX . 900 . . . 27976 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 27976 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27976 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27976 1 3 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27976 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27976 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 glucose 'methyl carbons' . . . . ppm 0 internal indirect .251 . . . . . 27976 1 H 1 water protons . . . . ppm 0 internal indirect 1.00 . . . . . 27976 1 N 15 'ammonium sulfate' nitrogen . . . . ppm 0 internal indirect .101 . . . . . 27976 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27976 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27976 1 2 '3D CBCA(CO)NH' . . . 27976 1 3 '3D C(CO)NH' . . . 27976 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 15 15 MET H H 1 8.5125 . . . . . . . . 1 M HN . 27976 1 2 . 1 . 1 15 15 MET CA C 13 55.3272 . . . . . . . . 1 M CA . 27976 1 3 . 1 . 1 15 15 MET CB C 13 32.4195 . . . . . . . . 1 M CB . 27976 1 4 . 1 . 1 15 15 MET N N 15 122.0891 . . . . . . . . 1 M N . 27976 1 5 . 1 . 1 16 16 ALA H H 1 8.2052 . . . . . . . . 2 A HN . 27976 1 6 . 1 . 1 16 16 ALA CA C 13 52.1368 . . . . . . . . 2 A CA . 27976 1 7 . 1 . 1 16 16 ALA CB C 13 18.8912 . . . . . . . . 2 A CB . 27976 1 8 . 1 . 1 16 16 ALA N N 15 125.5762 . . . . . . . . 2 A N . 27976 1 9 . 1 . 1 17 17 VAL H H 1 8.2553 . . . . . . . . 3 V HN . 27976 1 10 . 1 . 1 17 17 VAL CA C 13 62.8618 . . . . . . . . 3 V CA . 27976 1 11 . 1 . 1 17 17 VAL CB C 13 31.9896 . . . . . . . . 3 V CB . 27976 1 12 . 1 . 1 17 17 VAL N N 15 121.7172 . . . . . . . . 3 V N . 27976 1 13 . 1 . 1 18 18 LYS H H 1 9.0724 . . . . . . . . 4 K HN . 27976 1 14 . 1 . 1 18 18 LYS CA C 13 56.9786 . . . . . . . . 4 K CA . 27976 1 15 . 1 . 1 18 18 LYS CB C 13 35.7647 . . . . . . . . 4 K CB . 27976 1 16 . 1 . 1 18 18 LYS N N 15 127.1813 . . . . . . . . 4 K N . 27976 1 17 . 1 . 1 19 19 LYS H H 1 8.9562 . . . . . . . . 5 K HN . 27976 1 18 . 1 . 1 19 19 LYS CA C 13 55.2970 . . . . . . . . 5 K CA . 27976 1 19 . 1 . 1 19 19 LYS CB C 13 32.5168 . . . . . . . . 5 K CB . 27976 1 20 . 1 . 1 19 19 LYS N N 15 123.2100 . . . . . . . . 5 K N . 27976 1 21 . 1 . 1 20 20 ILE H H 1 8.2152 . . . . . . . . 6 I HN . 27976 1 22 . 1 . 1 20 20 ILE CA C 13 57.8930 . . . . . . . . 6 I CA . 27976 1 23 . 1 . 1 20 20 ILE CB C 13 41.7836 . . . . . . . . 6 I CB . 27976 1 24 . 1 . 1 20 20 ILE N N 15 115.8301 . . . . . . . . 6 I N . 27976 1 25 . 1 . 1 21 21 VAL H H 1 7.5469 . . . . . . . . 7 V HN . 27976 1 26 . 1 . 1 21 21 VAL CA C 13 55.4469 . . . . . . . . 7 V CA . 27976 1 27 . 1 . 1 21 21 VAL CB C 13 33.5297 . . . . . . . . 7 V CB . 27976 1 28 . 1 . 1 21 21 VAL N N 15 117.5763 . . . . . . . . 7 V N . 27976 1 29 . 1 . 1 22 22 ILE H H 1 8.0643 . . . . . . . . 8 I HN . 27976 1 30 . 1 . 1 22 22 ILE CA C 13 59.2950 . . . . . . . . 8 I CA . 27976 1 31 . 1 . 1 22 22 ILE CB C 13 40.7511 . . . . . . . . 8 I CB . 27976 1 32 . 1 . 1 22 22 ILE N N 15 123.5025 . . . . . . . . 8 I N . 27976 1 33 . 1 . 1 23 23 PHE H H 1 8.9793 . . . . . . . . 9 F HN . 27976 1 34 . 1 . 1 23 23 PHE CA C 13 57.7232 . . . . . . . . 9 F CA . 27976 1 35 . 1 . 1 23 23 PHE CB C 13 40.5892 . . . . . . . . 9 F CB . 27976 1 36 . 1 . 1 23 23 PHE N N 15 126.8621 . . . . . . . . 9 F N . 27976 1 37 . 1 . 1 24 24 GLY H H 1 9.8888 . . . . . . . . 10 G HN . 27976 1 38 . 1 . 1 24 24 GLY CA C 13 45.9108 . . . . . . . . 10 G CA . 27976 1 39 . 1 . 1 24 24 GLY N N 15 115.7438 . . . . . . . . 10 G N . 27976 1 40 . 1 . 1 25 25 ALA H H 1 8.9935 . . . . . . . . 11 A HN . 27976 1 41 . 1 . 1 25 25 ALA CA C 13 53.8033 . . . . . . . . 11 A CA . 27976 1 42 . 1 . 1 25 25 ALA CB C 13 20.0583 . . . . . . . . 11 A CB . 27976 1 43 . 1 . 1 25 25 ALA N N 15 120.5727 . . . . . . . . 11 A N . 27976 1 44 . 1 . 1 26 26 THR H H 1 6.9320 . . . . . . . . 12 T HN . 27976 1 45 . 1 . 1 26 26 THR CA C 13 61.1531 . . . . . . . . 12 T CA . 27976 1 46 . 1 . 1 26 26 THR N N 15 130.0943 . . . . . . . . 12 T N . 27976 1 47 . 1 . 1 27 27 GLY H H 1 7.4628 . . . . . . . . 13 G HN . 27976 1 48 . 1 . 1 27 27 GLY N N 15 108.3073 . . . . . . . . 13 G N . 27976 1 49 . 1 . 1 28 28 ARG CA C 13 60.0285 . . . . . . . . 14 R CA . 27976 1 50 . 1 . 1 29 29 THR H H 1 9.2513 . . . . . . . . 15 T HN . 27976 1 51 . 1 . 1 29 29 THR CA C 13 65.0905 . . . . . . . . 15 T CA . 27976 1 52 . 1 . 1 29 29 THR CB C 13 66.3527 . . . . . . . . 15 T CB . 27976 1 53 . 1 . 1 29 29 THR N N 15 116.2943 . . . . . . . . 15 T N . 27976 1 54 . 1 . 1 30 30 GLY H H 1 9.4727 . . . . . . . . 16 G HN . 27976 1 55 . 1 . 1 30 30 GLY CA C 13 48.3905 . . . . . . . . 16 G CA . 27976 1 56 . 1 . 1 30 30 GLY N N 15 118.5348 . . . . . . . . 16 G N . 27976 1 57 . 1 . 1 31 31 LEU H H 1 8.3875 . . . . . . . . 17 L HN . 27976 1 58 . 1 . 1 31 31 LEU CA C 13 58.3989 . . . . . . . . 17 L CA . 27976 1 59 . 1 . 1 31 31 LEU CB C 13 42.3952 . . . . . . . . 17 L CB . 27976 1 60 . 1 . 1 31 31 LEU N N 15 121.0608 . . . . . . . . 17 L N . 27976 1 61 . 1 . 1 32 32 THR H H 1 6.6306 . . . . . . . . 18 T HN . 27976 1 62 . 1 . 1 32 32 THR CA C 13 61.4090 . . . . . . . . 18 T CA . 27976 1 63 . 1 . 1 32 32 THR CB C 13 67.5542 . . . . . . . . 18 T CB . 27976 1 64 . 1 . 1 32 32 THR N N 15 111.3184 . . . . . . . . 18 T N . 27976 1 65 . 1 . 1 33 33 THR H H 1 8.0802 . . . . . . . . 19 T HN . 27976 1 66 . 1 . 1 33 33 THR CA C 13 68.1725 . . . . . . . . 19 T CA . 27976 1 67 . 1 . 1 33 33 THR CB C 13 66.7225 . . . . . . . . 19 T CB . 27976 1 68 . 1 . 1 33 33 THR N N 15 124.0449 . . . . . . . . 19 T N . 27976 1 69 . 1 . 1 34 34 LEU H H 1 9.0574 . . . . . . . . 20 L HN . 27976 1 70 . 1 . 1 34 34 LEU CA C 13 58.3748 . . . . . . . . 20 L CA . 27976 1 71 . 1 . 1 34 34 LEU CB C 13 40.9858 . . . . . . . . 20 L CB . 27976 1 72 . 1 . 1 34 34 LEU N N 15 122.0453 . . . . . . . . 20 L N . 27976 1 73 . 1 . 1 35 35 ALA H H 1 7.5161 . . . . . . . . 21 A HN . 27976 1 74 . 1 . 1 35 35 ALA CA C 13 55.4692 . . . . . . . . 21 A CA . 27976 1 75 . 1 . 1 35 35 ALA CB C 13 17.9382 . . . . . . . . 21 A CB . 27976 1 76 . 1 . 1 35 35 ALA N N 15 120.2647 . . . . . . . . 21 A N . 27976 1 77 . 1 . 1 36 36 GLN H H 1 8.5573 . . . . . . . . 22 Q HN . 27976 1 78 . 1 . 1 36 36 GLN CA C 13 59.1470 . . . . . . . . 22 Q CA . 27976 1 79 . 1 . 1 36 36 GLN CB C 13 30.5296 . . . . . . . . 22 Q CB . 27976 1 80 . 1 . 1 36 36 GLN N N 15 116.3731 . . . . . . . . 22 Q N . 27976 1 81 . 1 . 1 37 37 ALA H H 1 8.9579 . . . . . . . . 23 A HN . 27976 1 82 . 1 . 1 37 37 ALA CA C 13 54.7376 . . . . . . . . 23 A CA . 27976 1 83 . 1 . 1 37 37 ALA CB C 13 18.9295 . . . . . . . . 23 A CB . 27976 1 84 . 1 . 1 37 37 ALA N N 15 124.1718 . . . . . . . . 23 A N . 27976 1 85 . 1 . 1 38 38 VAL H H 1 8.3339 . . . . . . . . 24 V HN . 27976 1 86 . 1 . 1 38 38 VAL CA C 13 65.9565 . . . . . . . . 24 V CA . 27976 1 87 . 1 . 1 38 38 VAL CB C 13 31.8103 . . . . . . . . 24 V CB . 27976 1 88 . 1 . 1 38 38 VAL N N 15 118.9812 . . . . . . . . 24 V N . 27976 1 89 . 1 . 1 39 39 GLN H H 1 8.1198 . . . . . . . . 25 Q HN . 27976 1 90 . 1 . 1 39 39 GLN CA C 13 58.4955 . . . . . . . . 25 Q CA . 27976 1 91 . 1 . 1 39 39 GLN CB C 13 28.1254 . . . . . . . . 25 Q CB . 27976 1 92 . 1 . 1 39 39 GLN N N 15 120.6877 . . . . . . . . 25 Q N . 27976 1 93 . 1 . 1 40 40 ALA H H 1 7.7606 . . . . . . . . 26 A HN . 27976 1 94 . 1 . 1 40 40 ALA CA C 13 52.4546 . . . . . . . . 26 A CA . 27976 1 95 . 1 . 1 40 40 ALA CB C 13 18.6726 . . . . . . . . 26 A CB . 27976 1 96 . 1 . 1 40 40 ALA N N 15 119.4079 . . . . . . . . 26 A N . 27976 1 97 . 1 . 1 41 41 GLY H H 1 7.5947 . . . . . . . . 27 G HN . 27976 1 98 . 1 . 1 41 41 GLY CA C 13 45.0277 . . . . . . . . 27 G CA . 27976 1 99 . 1 . 1 41 41 GLY N N 15 104.4890 . . . . . . . . 27 G N . 27976 1 100 . 1 . 1 42 42 TYR H H 1 7.6226 . . . . . . . . 28 Y HN . 27976 1 101 . 1 . 1 42 42 TYR CA C 13 59.3151 . . . . . . . . 28 Y CA . 27976 1 102 . 1 . 1 42 42 TYR CB C 13 38.1564 . . . . . . . . 28 Y CB . 27976 1 103 . 1 . 1 42 42 TYR N N 15 118.1025 . . . . . . . . 28 Y N . 27976 1 104 . 1 . 1 43 43 GLU H H 1 8.9740 . . . . . . . . 29 E HN . 27976 1 105 . 1 . 1 43 43 GLU CA C 13 55.3088 . . . . . . . . 29 E CA . 27976 1 106 . 1 . 1 43 43 GLU CB C 13 29.6081 . . . . . . . . 29 E CB . 27976 1 107 . 1 . 1 43 43 GLU N N 15 125.3007 . . . . . . . . 29 E N . 27976 1 108 . 1 . 1 44 44 VAL H H 1 9.4287 . . . . . . . . 30 V HN . 27976 1 109 . 1 . 1 44 44 VAL CA C 13 62.7096 . . . . . . . . 30 V CA . 27976 1 110 . 1 . 1 44 44 VAL CB C 13 33.2949 . . . . . . . . 30 V CB . 27976 1 111 . 1 . 1 44 44 VAL N N 15 130.7918 . . . . . . . . 30 V N . 27976 1 112 . 1 . 1 45 45 THR H H 1 9.3794 . . . . . . . . 31 T HN . 27976 1 113 . 1 . 1 45 45 THR CA C 13 61.1957 . . . . . . . . 31 T CA . 27976 1 114 . 1 . 1 45 45 THR CB C 13 69.6035 . . . . . . . . 31 T CB . 27976 1 115 . 1 . 1 45 45 THR N N 15 126.6155 . . . . . . . . 31 T N . 27976 1 116 . 1 . 1 46 46 VAL H H 1 8.3500 . . . . . . . . 32 V HN . 27976 1 117 . 1 . 1 46 46 VAL CA C 13 57.9347 . . . . . . . . 32 V CA . 27976 1 118 . 1 . 1 46 46 VAL CB C 13 33.3603 . . . . . . . . 32 V CB . 27976 1 119 . 1 . 1 46 46 VAL N N 15 115.6319 . . . . . . . . 32 V N . 27976 1 120 . 1 . 1 47 47 LEU H H 1 5.9393 . . . . . . . . 33 L HN . 27976 1 121 . 1 . 1 47 47 LEU CA C 13 53.1430 . . . . . . . . 33 L CA . 27976 1 122 . 1 . 1 47 47 LEU CB C 13 43.0099 . . . . . . . . 33 L CB . 27976 1 123 . 1 . 1 47 47 LEU N N 15 122.1902 . . . . . . . . 33 L N . 27976 1 124 . 1 . 1 48 48 VAL H H 1 9.4679 . . . . . . . . 34 V HN . 27976 1 125 . 1 . 1 48 48 VAL CA C 13 57.2771 . . . . . . . . 34 V CA . 27976 1 126 . 1 . 1 48 48 VAL CB C 13 33.7055 . . . . . . . . 34 V CB . 27976 1 127 . 1 . 1 48 48 VAL N N 15 123.8722 . . . . . . . . 34 V N . 27976 1 128 . 1 . 1 49 49 ARG H H 1 8.6566 . . . . . . . . 35 R HN . 27976 1 129 . 1 . 1 49 49 ARG CA C 13 58.0305 . . . . . . . . 35 R CA . 27976 1 130 . 1 . 1 49 49 ARG CB C 13 31.2805 . . . . . . . . 35 R CB . 27976 1 131 . 1 . 1 49 49 ARG N N 15 121.1115 . . . . . . . . 35 R N . 27976 1 132 . 1 . 1 50 50 ASP H H 1 7.5080 . . . . . . . . 36 D HN . 27976 1 133 . 1 . 1 50 50 ASP CA C 13 52.3479 . . . . . . . . 36 D CA . 27976 1 134 . 1 . 1 50 50 ASP N N 15 114.8209 . . . . . . . . 36 D N . 27976 1 135 . 1 . 1 51 51 SER H H 1 9.2060 . . . . . . . . 37 S HN . 27976 1 136 . 1 . 1 51 51 SER CA C 13 60.5547 . . . . . . . . 37 S CA . 27976 1 137 . 1 . 1 51 51 SER N N 15 120.2949 . . . . . . . . 37 S N . 27976 1 138 . 1 . 1 52 52 SER H H 1 9.0347 . . . . . . . . 38 S HN . 27976 1 139 . 1 . 1 52 52 SER CA C 13 60.6245 . . . . . . . . 38 S CA . 27976 1 140 . 1 . 1 52 52 SER N N 15 119.8194 . . . . . . . . 38 S N . 27976 1 141 . 1 . 1 53 53 ARG H H 1 7.3359 . . . . . . . . 39 R HN . 27976 1 142 . 1 . 1 53 53 ARG CA C 13 56.6392 . . . . . . . . 39 R CA . 27976 1 143 . 1 . 1 53 53 ARG N N 15 119.1607 . . . . . . . . 39 R N . 27976 1 144 . 1 . 1 54 54 LEU H H 1 7.1016 . . . . . . . . 40 L HN . 27976 1 145 . 1 . 1 54 54 LEU CA C 13 52.1851 . . . . . . . . 40 L CA . 27976 1 146 . 1 . 1 54 54 LEU CB C 13 40.3922 . . . . . . . . 40 L CB . 27976 1 147 . 1 . 1 54 54 LEU N N 15 120.4267 . . . . . . . . 40 L N . 27976 1 148 . 1 . 1 55 55 PRO CA C 13 62.6824 . . . . . . . . 41 P CA . 27976 1 149 . 1 . 1 55 55 PRO CB C 13 31.8686 . . . . . . . . 41 P CB . 27976 1 150 . 1 . 1 56 56 SER H H 1 8.7642 . . . . . . . . 42 S HN . 27976 1 151 . 1 . 1 56 56 SER CA C 13 59.3757 . . . . . . . . 42 S CA . 27976 1 152 . 1 . 1 56 56 SER CB C 13 63.2798 . . . . . . . . 42 S CB . 27976 1 153 . 1 . 1 56 56 SER N N 15 118.7470 . . . . . . . . 42 S N . 27976 1 154 . 1 . 1 57 57 GLU H H 1 7.9306 . . . . . . . . 43 E HN . 27976 1 155 . 1 . 1 57 57 GLU CA C 13 54.9887 . . . . . . . . 43 E CA . 27976 1 156 . 1 . 1 57 57 GLU CB C 13 30.8978 . . . . . . . . 43 E CB . 27976 1 157 . 1 . 1 57 57 GLU N N 15 119.7920 . . . . . . . . 43 E N . 27976 1 158 . 1 . 1 58 58 GLY H H 1 8.1342 . . . . . . . . 44 G HN . 27976 1 159 . 1 . 1 58 58 GLY CA C 13 43.9803 . . . . . . . . 44 G CA . 27976 1 160 . 1 . 1 58 58 GLY N N 15 109.1173 . . . . . . . . 44 G N . 27976 1 161 . 1 . 1 59 59 PRO CA C 13 61.5537 . . . . . . . . 45 P CA . 27976 1 162 . 1 . 1 59 59 PRO CB C 13 34.2997 . . . . . . . . 45 P CB . 27976 1 163 . 1 . 1 60 60 ARG H H 1 8.8247 . . . . . . . . 46 R HN . 27976 1 164 . 1 . 1 60 60 ARG CA C 13 53.1675 . . . . . . . . 46 R CA . 27976 1 165 . 1 . 1 60 60 ARG CB C 13 29.6994 . . . . . . . . 46 R CB . 27976 1 166 . 1 . 1 60 60 ARG N N 15 123.6975 . . . . . . . . 46 R N . 27976 1 167 . 1 . 1 61 61 PRO CA C 13 61.4797 . . . . . . . . 47 P CA . 27976 1 168 . 1 . 1 61 61 PRO CB C 13 31.2157 . . . . . . . . 47 P CB . 27976 1 169 . 1 . 1 62 62 ALA H H 1 8.2075 . . . . . . . . 48 A HN . 27976 1 170 . 1 . 1 62 62 ALA CA C 13 54.2195 . . . . . . . . 48 A CA . 27976 1 171 . 1 . 1 62 62 ALA CB C 13 18.8507 . . . . . . . . 48 A CB . 27976 1 172 . 1 . 1 62 62 ALA N N 15 124.5118 . . . . . . . . 48 A N . 27976 1 173 . 1 . 1 63 63 ARG H H 1 7.6667 . . . . . . . . 49 R HN . 27976 1 174 . 1 . 1 63 63 ARG CA C 13 55.5064 . . . . . . . . 49 R CA . 27976 1 175 . 1 . 1 63 63 ARG CB C 13 33.4479 . . . . . . . . 49 R CB . 27976 1 176 . 1 . 1 63 63 ARG N N 15 114.9973 . . . . . . . . 49 R N . 27976 1 177 . 1 . 1 64 64 VAL H H 1 8.7392 . . . . . . . . 50 V HN . 27976 1 178 . 1 . 1 64 64 VAL CA C 13 61.2322 . . . . . . . . 50 V CA . 27976 1 179 . 1 . 1 64 64 VAL CB C 13 33.3980 . . . . . . . . 50 V CB . 27976 1 180 . 1 . 1 64 64 VAL N N 15 125.9430 . . . . . . . . 50 V N . 27976 1 181 . 1 . 1 65 65 ILE H H 1 8.7703 . . . . . . . . 51 I HN . 27976 1 182 . 1 . 1 65 65 ILE CA C 13 59.3446 . . . . . . . . 51 I CA . 27976 1 183 . 1 . 1 65 65 ILE CB C 13 39.4590 . . . . . . . . 51 I CB . 27976 1 184 . 1 . 1 65 65 ILE N N 15 130.3650 . . . . . . . . 51 I N . 27976 1 185 . 1 . 1 66 66 VAL H H 1 8.6530 . . . . . . . . 52 V HN . 27976 1 186 . 1 . 1 66 66 VAL CA C 13 60.2428 . . . . . . . . 52 V CA . 27976 1 187 . 1 . 1 66 66 VAL CB C 13 31.3458 . . . . . . . . 52 V CB . 27976 1 188 . 1 . 1 66 66 VAL N N 15 130.0455 . . . . . . . . 52 V N . 27976 1 189 . 1 . 1 67 67 GLY H H 1 8.8496 . . . . . . . . 53 G HN . 27976 1 190 . 1 . 1 67 67 GLY CA C 13 46.2861 . . . . . . . . 53 G CA . 27976 1 191 . 1 . 1 67 67 GLY N N 15 117.2244 . . . . . . . . 53 G N . 27976 1 192 . 1 . 1 68 68 ASP H H 1 9.1987 . . . . . . . . 54 D HN . 27976 1 193 . 1 . 1 68 68 ASP CA C 13 52.1698 . . . . . . . . 54 D CA . 27976 1 194 . 1 . 1 68 68 ASP CB C 13 45.2965 . . . . . . . . 54 D CB . 27976 1 195 . 1 . 1 68 68 ASP N N 15 120.8436 . . . . . . . . 54 D N . 27976 1 196 . 1 . 1 69 69 VAL H H 1 9.6863 . . . . . . . . 55 V HN . 27976 1 197 . 1 . 1 69 69 VAL CA C 13 62.6898 . . . . . . . . 55 V CA . 27976 1 198 . 1 . 1 69 69 VAL CB C 13 31.4258 . . . . . . . . 55 V CB . 27976 1 199 . 1 . 1 69 69 VAL N N 15 126.3340 . . . . . . . . 55 V N . 27976 1 200 . 1 . 1 70 70 ARG H H 1 9.3177 . . . . . . . . 56 R HN . 27976 1 201 . 1 . 1 70 70 ARG CA C 13 57.0162 . . . . . . . . 56 R CA . 27976 1 202 . 1 . 1 70 70 ARG CB C 13 29.2542 . . . . . . . . 56 R CB . 27976 1 203 . 1 . 1 70 70 ARG N N 15 118.6761 . . . . . . . . 56 R N . 27976 1 204 . 1 . 1 71 71 HIS H H 1 8.2202 . . . . . . . . 57 H HN . 27976 1 205 . 1 . 1 71 71 HIS CA C 13 52.8932 . . . . . . . . 57 H CA . 27976 1 206 . 1 . 1 71 71 HIS CB C 13 29.0573 . . . . . . . . 57 H CB . 27976 1 207 . 1 . 1 71 71 HIS N N 15 121.2301 . . . . . . . . 57 H N . 27976 1 208 . 1 . 1 72 72 ALA H H 1 9.2043 . . . . . . . . 58 A HN . 27976 1 209 . 1 . 1 72 72 ALA CA C 13 56.4360 . . . . . . . . 58 A CA . 27976 1 210 . 1 . 1 72 72 ALA CB C 13 17.9147 . . . . . . . . 58 A CB . 27976 1 211 . 1 . 1 72 72 ALA N N 15 131.5226 . . . . . . . . 58 A N . 27976 1 212 . 1 . 1 73 73 ALA H H 1 8.6224 . . . . . . . . 59 A HN . 27976 1 213 . 1 . 1 73 73 ALA CA C 13 54.7575 . . . . . . . . 59 A CA . 27976 1 214 . 1 . 1 73 73 ALA CB C 13 18.2568 . . . . . . . . 59 A CB . 27976 1 215 . 1 . 1 73 73 ALA N N 15 117.8336 . . . . . . . . 59 A N . 27976 1 216 . 1 . 1 74 74 ASP H H 1 7.1733 . . . . . . . . 60 D HN . 27976 1 217 . 1 . 1 74 74 ASP CA C 13 56.8737 . . . . . . . . 60 D CA . 27976 1 218 . 1 . 1 74 74 ASP CB C 13 40.0784 . . . . . . . . 60 D CB . 27976 1 219 . 1 . 1 74 74 ASP N N 15 119.5048 . . . . . . . . 60 D N . 27976 1 220 . 1 . 1 75 75 VAL H H 1 7.2633 . . . . . . . . 61 V HN . 27976 1 221 . 1 . 1 75 75 VAL CA C 13 66.5060 . . . . . . . . 61 V CA . 27976 1 222 . 1 . 1 75 75 VAL CB C 13 31.1870 . . . . . . . . 61 V CB . 27976 1 223 . 1 . 1 75 75 VAL N N 15 118.7457 . . . . . . . . 61 V N . 27976 1 224 . 1 . 1 76 76 ASP H H 1 8.4973 . . . . . . . . 62 D HN . 27976 1 225 . 1 . 1 76 76 ASP CA C 13 58.8070 . . . . . . . . 62 D CA . 27976 1 226 . 1 . 1 76 76 ASP CB C 13 42.3569 . . . . . . . . 62 D CB . 27976 1 227 . 1 . 1 76 76 ASP N N 15 119.8195 . . . . . . . . 62 D N . 27976 1 228 . 1 . 1 77 77 LYS H H 1 7.2156 . . . . . . . . 63 K HN . 27976 1 229 . 1 . 1 77 77 LYS CA C 13 58.3869 . . . . . . . . 63 K CA . 27976 1 230 . 1 . 1 77 77 LYS CB C 13 32.2883 . . . . . . . . 63 K CB . 27976 1 231 . 1 . 1 77 77 LYS N N 15 114.2970 . . . . . . . . 63 K N . 27976 1 232 . 1 . 1 78 78 ALA H H 1 7.4697 . . . . . . . . 64 A HN . 27976 1 233 . 1 . 1 78 78 ALA CA C 13 53.5626 . . . . . . . . 64 A CA . 27976 1 234 . 1 . 1 78 78 ALA CB C 13 19.2831 . . . . . . . . 64 A CB . 27976 1 235 . 1 . 1 78 78 ALA N N 15 120.3019 . . . . . . . . 64 A N . 27976 1 236 . 1 . 1 79 79 VAL H H 1 7.7344 . . . . . . . . 65 V HN . 27976 1 237 . 1 . 1 79 79 VAL CA C 13 63.4309 . . . . . . . . 65 V CA . 27976 1 238 . 1 . 1 79 79 VAL CB C 13 32.7058 . . . . . . . . 65 V CB . 27976 1 239 . 1 . 1 79 79 VAL N N 15 115.5009 . . . . . . . . 65 V N . 27976 1 240 . 1 . 1 80 80 ALA H H 1 7.0571 . . . . . . . . 66 A HN . 27976 1 241 . 1 . 1 80 80 ALA CA C 13 53.8794 . . . . . . . . 66 A CA . 27976 1 242 . 1 . 1 80 80 ALA CB C 13 17.3306 . . . . . . . . 66 A CB . 27976 1 243 . 1 . 1 80 80 ALA N N 15 121.2982 . . . . . . . . 66 A N . 27976 1 244 . 1 . 1 81 81 GLY H H 1 8.2247 . . . . . . . . 67 G HN . 27976 1 245 . 1 . 1 81 81 GLY CA C 13 45.7336 . . . . . . . . 67 G CA . 27976 1 246 . 1 . 1 81 81 GLY N N 15 110.2341 . . . . . . . . 67 G N . 27976 1 247 . 1 . 1 82 82 GLN H H 1 7.2958 . . . . . . . . 68 Q HN . 27976 1 248 . 1 . 1 82 82 GLN CA C 13 53.6954 . . . . . . . . 68 Q CA . 27976 1 249 . 1 . 1 82 82 GLN CB C 13 27.5766 . . . . . . . . 68 Q CB . 27976 1 250 . 1 . 1 82 82 GLN N N 15 116.1445 . . . . . . . . 68 Q N . 27976 1 251 . 1 . 1 83 83 ASP H H 1 9.1896 . . . . . . . . 69 D HN . 27976 1 252 . 1 . 1 83 83 ASP CA C 13 55.8293 . . . . . . . . 69 D CA . 27976 1 253 . 1 . 1 83 83 ASP CB C 13 43.5373 . . . . . . . . 69 D CB . 27976 1 254 . 1 . 1 83 83 ASP N N 15 116.4545 . . . . . . . . 69 D N . 27976 1 255 . 1 . 1 84 84 ALA H H 1 7.7479 . . . . . . . . 70 A HN . 27976 1 256 . 1 . 1 84 84 ALA CA C 13 51.7477 . . . . . . . . 70 A CA . 27976 1 257 . 1 . 1 84 84 ALA CB C 13 23.4208 . . . . . . . . 70 A CB . 27976 1 258 . 1 . 1 84 84 ALA N N 15 116.8030 . . . . . . . . 70 A N . 27976 1 259 . 1 . 1 85 85 VAL H H 1 8.2258 . . . . . . . . 71 V HN . 27976 1 260 . 1 . 1 85 85 VAL CA C 13 60.7497 . . . . . . . . 71 V CA . 27976 1 261 . 1 . 1 85 85 VAL CB C 13 35.1125 . . . . . . . . 71 V CB . 27976 1 262 . 1 . 1 85 85 VAL N N 15 118.9094 . . . . . . . . 71 V N . 27976 1 263 . 1 . 1 86 86 VAL H H 1 9.0065 . . . . . . . . 72 V HN . 27976 1 264 . 1 . 1 86 86 VAL CA C 13 60.8185 . . . . . . . . 72 V CA . 27976 1 265 . 1 . 1 86 86 VAL CB C 13 33.8765 . . . . . . . . 72 V CB . 27976 1 266 . 1 . 1 86 86 VAL N N 15 127.1335 . . . . . . . . 72 V N . 27976 1 267 . 1 . 1 87 87 VAL H H 1 9.1909 . . . . . . . . 73 V HN . 27976 1 268 . 1 . 1 87 87 VAL CA C 13 63.0423 . . . . . . . . 73 V CA . 27976 1 269 . 1 . 1 87 87 VAL CB C 13 33.1604 . . . . . . . . 73 V CB . 27976 1 270 . 1 . 1 87 87 VAL N N 15 127.1179 . . . . . . . . 73 V N . 27976 1 271 . 1 . 1 88 88 LEU H H 1 8.6526 . . . . . . . . 74 L HN . 27976 1 272 . 1 . 1 88 88 LEU CA C 13 54.4478 . . . . . . . . 74 L CA . 27976 1 273 . 1 . 1 88 88 LEU CB C 13 42.2317 . . . . . . . . 74 L CB . 27976 1 274 . 1 . 1 88 88 LEU N N 15 132.9733 . . . . . . . . 74 L N . 27976 1 275 . 1 . 1 89 89 LEU H H 1 6.5520 . . . . . . . . 75 L HN . 27976 1 276 . 1 . 1 89 89 LEU CA C 13 54.1410 . . . . . . . . 75 L CA . 27976 1 277 . 1 . 1 89 89 LEU CB C 13 45.1770 . . . . . . . . 75 L CB . 27976 1 278 . 1 . 1 89 89 LEU N N 15 116.7468 . . . . . . . . 75 L N . 27976 1 279 . 1 . 1 90 90 GLY H H 1 6.9596 . . . . . . . . 76 G HN . 27976 1 280 . 1 . 1 90 90 GLY CA C 13 44.4663 . . . . . . . . 76 G CA . 27976 1 281 . 1 . 1 90 90 GLY N N 15 107.3261 . . . . . . . . 76 G N . 27976 1 282 . 1 . 1 91 91 THR H H 1 8.5583 . . . . . . . . 77 T HN . 27976 1 283 . 1 . 1 91 91 THR CA C 13 60.5217 . . . . . . . . 77 T CA . 27976 1 284 . 1 . 1 91 91 THR CB C 13 68.5586 . . . . . . . . 77 T CB . 27976 1 285 . 1 . 1 91 91 THR N N 15 110.0387 . . . . . . . . 77 T N . 27976 1 286 . 1 . 1 92 92 GLY H H 1 9.1467 . . . . . . . . 78 G HN . 27976 1 287 . 1 . 1 92 92 GLY CA C 13 47.0051 . . . . . . . . 78 G CA . 27976 1 288 . 1 . 1 92 92 GLY N N 15 116.6584 . . . . . . . . 78 G N . 27976 1 289 . 1 . 1 93 93 ASN CA C 13 52.8518 . . . . . . . . 79 N CA . 27976 1 290 . 1 . 1 94 94 ASP H H 1 8.0184 . . . . . . . . 80 D HN . 27976 1 291 . 1 . 1 94 94 ASP CA C 13 54.2492 . . . . . . . . 80 D CA . 27976 1 292 . 1 . 1 94 94 ASP CB C 13 41.0261 . . . . . . . . 80 D CB . 27976 1 293 . 1 . 1 94 94 ASP N N 15 121.0116 . . . . . . . . 80 D N . 27976 1 294 . 1 . 1 95 95 LEU H H 1 8.9255 . . . . . . . . 81 L HN . 27976 1 295 . 1 . 1 95 95 LEU CA C 13 53.7063 . . . . . . . . 81 L CA . 27976 1 296 . 1 . 1 95 95 LEU CB C 13 40.9512 . . . . . . . . 81 L CB . 27976 1 297 . 1 . 1 95 95 LEU N N 15 129.4183 . . . . . . . . 81 L N . 27976 1 298 . 1 . 1 96 96 SER H H 1 8.2199 . . . . . . . . 82 S HN . 27976 1 299 . 1 . 1 96 96 SER CA C 13 58.8616 . . . . . . . . 82 S CA . 27976 1 300 . 1 . 1 96 96 SER CB C 13 61.6989 . . . . . . . . 82 S CB . 27976 1 301 . 1 . 1 96 96 SER N N 15 119.3844 . . . . . . . . 82 S N . 27976 1 302 . 1 . 1 97 97 PRO CA C 13 63.9088 . . . . . . . . 83 P CA . 27976 1 303 . 1 . 1 98 98 THR H H 1 7.7685 . . . . . . . . 84 T HN . 27976 1 304 . 1 . 1 98 98 THR CA C 13 59.6435 . . . . . . . . 84 T CA . 27976 1 305 . 1 . 1 98 98 THR CB C 13 68.8800 . . . . . . . . 84 T CB . 27976 1 306 . 1 . 1 98 98 THR N N 15 117.4666 . . . . . . . . 84 T N . 27976 1 307 . 1 . 1 99 99 THR H H 1 8.0209 . . . . . . . . 85 T HN . 27976 1 308 . 1 . 1 99 99 THR CA C 13 60.1946 . . . . . . . . 85 T CA . 27976 1 309 . 1 . 1 99 99 THR CB C 13 68.8628 . . . . . . . . 85 T CB . 27976 1 310 . 1 . 1 99 99 THR N N 15 112.9486 . . . . . . . . 85 T N . 27976 1 311 . 1 . 1 100 100 VAL H H 1 8.4171 . . . . . . . . 86 V HN . 27976 1 312 . 1 . 1 100 100 VAL CA C 13 66.0646 . . . . . . . . 86 V CA . 27976 1 313 . 1 . 1 100 100 VAL CB C 13 31.4692 . . . . . . . . 86 V CB . 27976 1 314 . 1 . 1 100 100 VAL N N 15 121.2119 . . . . . . . . 86 V N . 27976 1 315 . 1 . 1 101 101 MET H H 1 7.7303 . . . . . . . . 87 M HN . 27976 1 316 . 1 . 1 101 101 MET CA C 13 59.3205 . . . . . . . . 87 M CA . 27976 1 317 . 1 . 1 101 101 MET CB C 13 31.1163 . . . . . . . . 87 M CB . 27976 1 318 . 1 . 1 101 101 MET N N 15 117.4208 . . . . . . . . 87 M N . 27976 1 319 . 1 . 1 102 102 SER H H 1 8.9972 . . . . . . . . 88 S HN . 27976 1 320 . 1 . 1 102 102 SER CA C 13 62.2369 . . . . . . . . 88 S CA . 27976 1 321 . 1 . 1 102 102 SER N N 15 117.4175 . . . . . . . . 88 S N . 27976 1 322 . 1 . 1 103 103 GLU H H 1 8.7675 . . . . . . . . 89 E HN . 27976 1 323 . 1 . 1 103 103 GLU CA C 13 59.5471 . . . . . . . . 89 E CA . 27976 1 324 . 1 . 1 103 103 GLU CB C 13 29.4698 . . . . . . . . 89 E CB . 27976 1 325 . 1 . 1 103 103 GLU N N 15 123.4513 . . . . . . . . 89 E N . 27976 1 326 . 1 . 1 104 104 GLY H H 1 8.0408 . . . . . . . . 90 G HN . 27976 1 327 . 1 . 1 104 104 GLY CA C 13 47.2491 . . . . . . . . 90 G CA . 27976 1 328 . 1 . 1 104 104 GLY N N 15 106.7490 . . . . . . . . 90 G N . 27976 1 329 . 1 . 1 105 105 ALA H H 1 8.5376 . . . . . . . . 91 A HN . 27976 1 330 . 1 . 1 105 105 ALA CA C 13 55.3180 . . . . . . . . 91 A CA . 27976 1 331 . 1 . 1 105 105 ALA CB C 13 17.9075 . . . . . . . . 91 A CB . 27976 1 332 . 1 . 1 105 105 ALA N N 15 122.6302 . . . . . . . . 91 A N . 27976 1 333 . 1 . 1 106 106 ARG H H 1 8.1415 . . . . . . . . 92 R HN . 27976 1 334 . 1 . 1 106 106 ARG CA C 13 60.0405 . . . . . . . . 92 R CA . 27976 1 335 . 1 . 1 106 106 ARG CB C 13 29.3340 . . . . . . . . 92 R CB . 27976 1 336 . 1 . 1 106 106 ARG N N 15 118.5877 . . . . . . . . 92 R N . 27976 1 337 . 1 . 1 107 107 ASN H H 1 7.7102 . . . . . . . . 93 N HN . 27976 1 338 . 1 . 1 107 107 ASN CA C 13 55.1738 . . . . . . . . 93 N CA . 27976 1 339 . 1 . 1 107 107 ASN CB C 13 36.8378 . . . . . . . . 93 N CB . 27976 1 340 . 1 . 1 107 107 ASN N N 15 118.3336 . . . . . . . . 93 N N . 27976 1 341 . 1 . 1 108 108 ILE H H 1 8.7958 . . . . . . . . 94 I HN . 27976 1 342 . 1 . 1 108 108 ILE CA C 13 65.6228 . . . . . . . . 94 I CA . 27976 1 343 . 1 . 1 108 108 ILE CB C 13 37.7718 . . . . . . . . 94 I CB . 27976 1 344 . 1 . 1 108 108 ILE N N 15 124.7919 . . . . . . . . 94 I N . 27976 1 345 . 1 . 1 109 109 VAL H H 1 8.6644 . . . . . . . . 95 V HN . 27976 1 346 . 1 . 1 109 109 VAL CA C 13 66.1336 . . . . . . . . 95 V CA . 27976 1 347 . 1 . 1 109 109 VAL CB C 13 31.2917 . . . . . . . . 95 V CB . 27976 1 348 . 1 . 1 109 109 VAL N N 15 119.5816 . . . . . . . . 95 V N . 27976 1 349 . 1 . 1 110 110 ALA H H 1 7.5099 . . . . . . . . 96 A HN . 27976 1 350 . 1 . 1 110 110 ALA CA C 13 54.9809 . . . . . . . . 96 A CA . 27976 1 351 . 1 . 1 110 110 ALA CB C 13 17.7703 . . . . . . . . 96 A CB . 27976 1 352 . 1 . 1 110 110 ALA N N 15 120.4589 . . . . . . . . 96 A N . 27976 1 353 . 1 . 1 111 111 ALA H H 1 7.7910 . . . . . . . . 97 A HN . 27976 1 354 . 1 . 1 111 111 ALA CA C 13 54.4548 . . . . . . . . 97 A CA . 27976 1 355 . 1 . 1 111 111 ALA CB C 13 19.1773 . . . . . . . . 97 A CB . 27976 1 356 . 1 . 1 111 111 ALA N N 15 120.7592 . . . . . . . . 97 A N . 27976 1 357 . 1 . 1 112 112 MET H H 1 9.0328 . . . . . . . . 98 M HN . 27976 1 358 . 1 . 1 112 112 MET CA C 13 60.3250 . . . . . . . . 98 M CA . 27976 1 359 . 1 . 1 112 112 MET CB C 13 30.1268 . . . . . . . . 98 M CB . 27976 1 360 . 1 . 1 112 112 MET N N 15 119.5249 . . . . . . . . 98 M N . 27976 1 361 . 1 . 1 113 113 LYS H H 1 8.3260 . . . . . . . . 99 K HN . 27976 1 362 . 1 . 1 113 113 LYS CA C 13 59.1239 . . . . . . . . 99 K CA . 27976 1 363 . 1 . 1 113 113 LYS CB C 13 31.8600 . . . . . . . . 99 K CB . 27976 1 364 . 1 . 1 113 113 LYS N N 15 117.4566 . . . . . . . . 99 K N . 27976 1 365 . 1 . 1 114 114 ALA H H 1 7.8237 . . . . . . . . 100 A HN . 27976 1 366 . 1 . 1 114 114 ALA CA C 13 54.4212 . . . . . . . . 100 A CA . 27976 1 367 . 1 . 1 114 114 ALA CB C 13 18.2344 . . . . . . . . 100 A CB . 27976 1 368 . 1 . 1 114 114 ALA N N 15 121.1695 . . . . . . . . 100 A N . 27976 1 369 . 1 . 1 115 115 HIS H H 1 7.6641 . . . . . . . . 101 H HN . 27976 1 370 . 1 . 1 115 115 HIS CA C 13 55.9629 . . . . . . . . 101 H CA . 27976 1 371 . 1 . 1 115 115 HIS CB C 13 30.3816 . . . . . . . . 101 H CB . 27976 1 372 . 1 . 1 115 115 HIS N N 15 112.1058 . . . . . . . . 101 H N . 27976 1 373 . 1 . 1 116 116 GLY H H 1 7.6476 . . . . . . . . 102 G HN . 27976 1 374 . 1 . 1 116 116 GLY CA C 13 47.1039 . . . . . . . . 102 G CA . 27976 1 375 . 1 . 1 116 116 GLY N N 15 111.3163 . . . . . . . . 102 G N . 27976 1 376 . 1 . 1 117 117 VAL H H 1 8.4881 . . . . . . . . 103 V HN . 27976 1 377 . 1 . 1 117 117 VAL CA C 13 61.4938 . . . . . . . . 103 V CA . 27976 1 378 . 1 . 1 117 117 VAL CB C 13 32.2204 . . . . . . . . 103 V CB . 27976 1 379 . 1 . 1 117 117 VAL N N 15 122.9502 . . . . . . . . 103 V N . 27976 1 380 . 1 . 1 118 118 ASP H H 1 8.8141 . . . . . . . . 104 D HN . 27976 1 381 . 1 . 1 118 118 ASP CA C 13 54.5239 . . . . . . . . 104 D CA . 27976 1 382 . 1 . 1 118 118 ASP CB C 13 42.9848 . . . . . . . . 104 D CB . 27976 1 383 . 1 . 1 118 118 ASP N N 15 125.2077 . . . . . . . . 104 D N . 27976 1 384 . 1 . 1 119 119 LYS H H 1 6.6343 . . . . . . . . 105 K HN . 27976 1 385 . 1 . 1 119 119 LYS CA C 13 54.7818 . . . . . . . . 105 K CA . 27976 1 386 . 1 . 1 119 119 LYS CB C 13 34.3692 . . . . . . . . 105 K CB . 27976 1 387 . 1 . 1 119 119 LYS N N 15 119.3338 . . . . . . . . 105 K N . 27976 1 388 . 1 . 1 120 120 VAL H H 1 9.2349 . . . . . . . . 106 V HN . 27976 1 389 . 1 . 1 120 120 VAL CA C 13 57.3170 . . . . . . . . 106 V CA . 27976 1 390 . 1 . 1 120 120 VAL CB C 13 33.9703 . . . . . . . . 106 V CB . 27976 1 391 . 1 . 1 120 120 VAL N N 15 126.2968 . . . . . . . . 106 V N . 27976 1 392 . 1 . 1 121 121 VAL H H 1 8.7293 . . . . . . . . 107 V HN . 27976 1 393 . 1 . 1 121 121 VAL CA C 13 60.2516 . . . . . . . . 107 V CA . 27976 1 394 . 1 . 1 121 121 VAL CB C 13 33.5384 . . . . . . . . 107 V CB . 27976 1 395 . 1 . 1 121 121 VAL N N 15 129.0692 . . . . . . . . 107 V N . 27976 1 396 . 1 . 1 122 122 ALA H H 1 8.6435 . . . . . . . . 108 A HN . 27976 1 397 . 1 . 1 122 122 ALA CA C 13 50.3141 . . . . . . . . 108 A CA . 27976 1 398 . 1 . 1 122 122 ALA CB C 13 23.7676 . . . . . . . . 108 A CB . 27976 1 399 . 1 . 1 122 122 ALA N N 15 125.5355 . . . . . . . . 108 A N . 27976 1 400 . 1 . 1 123 123 CYS H H 1 8.3808 . . . . . . . . 109 C HN . 27976 1 401 . 1 . 1 123 123 CYS CA C 13 57.8499 . . . . . . . . 109 C CA . 27976 1 402 . 1 . 1 123 123 CYS N N 15 126.7278 . . . . . . . . 109 C N . 27976 1 403 . 1 . 1 124 124 THR H H 1 9.0336 . . . . . . . . 110 T HN . 27976 1 404 . 1 . 1 124 124 THR CA C 13 60.3814 . . . . . . . . 110 T CA . 27976 1 405 . 1 . 1 124 124 THR CB C 13 68.1600 . . . . . . . . 110 T CB . 27976 1 406 . 1 . 1 124 124 THR N N 15 119.2283 . . . . . . . . 110 T N . 27976 1 407 . 1 . 1 125 125 SER H H 1 7.9583 . . . . . . . . 111 S HN . 27976 1 408 . 1 . 1 125 125 SER CA C 13 56.9757 . . . . . . . . 111 S CA . 27976 1 409 . 1 . 1 125 125 SER CB C 13 65.8567 . . . . . . . . 111 S CB . 27976 1 410 . 1 . 1 125 125 SER N N 15 113.6830 . . . . . . . . 111 S N . 27976 1 411 . 1 . 1 126 126 ALA H H 1 8.3046 . . . . . . . . 112 A HN . 27976 1 412 . 1 . 1 126 126 ALA CA C 13 54.0950 . . . . . . . . 112 A CA . 27976 1 413 . 1 . 1 126 126 ALA N N 15 125.6392 . . . . . . . . 112 A N . 27976 1 414 . 1 . 1 127 127 PHE H H 1 7.7055 . . . . . . . . 113 F HN . 27976 1 415 . 1 . 1 127 127 PHE CA C 13 59.7218 . . . . . . . . 113 F CA . 27976 1 416 . 1 . 1 127 127 PHE N N 15 114.8941 . . . . . . . . 113 F N . 27976 1 417 . 1 . 1 128 128 LEU H H 1 7.5911 . . . . . . . . 114 L HN . 27976 1 418 . 1 . 1 128 128 LEU CA C 13 59.0547 . . . . . . . . 114 L CA . 27976 1 419 . 1 . 1 128 128 LEU N N 15 122.3329 . . . . . . . . 114 L N . 27976 1 420 . 1 . 1 129 129 LEU H H 1 7.9794 . . . . . . . . 115 L HN . 27976 1 421 . 1 . 1 129 129 LEU CA C 13 54.1214 . . . . . . . . 115 L CA . 27976 1 422 . 1 . 1 129 129 LEU N N 15 118.8085 . . . . . . . . 115 L N . 27976 1 423 . 1 . 1 130 130 TRP H H 1 7.4280 . . . . . . . . 116 W HN . 27976 1 424 . 1 . 1 130 130 TRP CA C 13 56.2951 . . . . . . . . 116 W CA . 27976 1 425 . 1 . 1 130 130 TRP N N 15 121.6907 . . . . . . . . 116 W N . 27976 1 426 . 1 . 1 132 132 PRO CA C 13 64.3713 . . . . . . . . 118 P CA . 27976 1 427 . 1 . 1 133 133 ALA H H 1 8.4603 . . . . . . . . 119 A HN . 27976 1 428 . 1 . 1 133 133 ALA CA C 13 53.0971 . . . . . . . . 119 A CA . 27976 1 429 . 1 . 1 133 133 ALA N N 15 118.3760 . . . . . . . . 119 A N . 27976 1 430 . 1 . 1 134 134 LYS H H 1 8.3627 . . . . . . . . 120 K HN . 27976 1 431 . 1 . 1 134 134 LYS CA C 13 54.8332 . . . . . . . . 120 K CA . 27976 1 432 . 1 . 1 134 134 LYS N N 15 116.3768 . . . . . . . . 120 K N . 27976 1 433 . 1 . 1 135 135 VAL H H 1 7.1247 . . . . . . . . 121 V HN . 27976 1 434 . 1 . 1 135 135 VAL CA C 13 61.0987 . . . . . . . . 121 V CA . 27976 1 435 . 1 . 1 135 135 VAL CB C 13 32.3157 . . . . . . . . 121 V CB . 27976 1 436 . 1 . 1 135 135 VAL N N 15 123.1183 . . . . . . . . 121 V N . 27976 1 437 . 1 . 1 137 137 PRO CA C 13 65.2073 . . . . . . . . 123 P CA . 27976 1 438 . 1 . 1 138 138 ARG H H 1 8.6393 . . . . . . . . 124 R HN . 27976 1 439 . 1 . 1 138 138 ARG CA C 13 57.6307 . . . . . . . . 124 R CA . 27976 1 440 . 1 . 1 138 138 ARG CB C 13 28.8857 . . . . . . . . 124 R CB . 27976 1 441 . 1 . 1 138 138 ARG N N 15 115.4797 . . . . . . . . 124 R N . 27976 1 442 . 1 . 1 139 139 LEU H H 1 7.8386 . . . . . . . . 125 L HN . 27976 1 443 . 1 . 1 139 139 LEU CA C 13 53.3826 . . . . . . . . 125 L CA . 27976 1 444 . 1 . 1 139 139 LEU CB C 13 41.7855 . . . . . . . . 125 L CB . 27976 1 445 . 1 . 1 139 139 LEU N N 15 117.4263 . . . . . . . . 125 L N . 27976 1 446 . 1 . 1 140 140 GLN H H 1 7.6780 . . . . . . . . 126 Q HN . 27976 1 447 . 1 . 1 140 140 GLN CA C 13 59.1490 . . . . . . . . 126 Q CA . 27976 1 448 . 1 . 1 140 140 GLN CB C 13 28.8117 . . . . . . . . 126 Q CB . 27976 1 449 . 1 . 1 140 140 GLN N N 15 125.7371 . . . . . . . . 126 Q N . 27976 1 450 . 1 . 1 141 141 ASP H H 1 8.5043 . . . . . . . . 127 D HN . 27976 1 451 . 1 . 1 141 141 ASP CA C 13 57.9514 . . . . . . . . 127 D CA . 27976 1 452 . 1 . 1 141 141 ASP N N 15 118.9869 . . . . . . . . 127 D N . 27976 1 453 . 1 . 1 143 143 THR CA C 13 67.1441 . . . . . . . . 129 T CA . 27976 1 454 . 1 . 1 144 144 ASP H H 1 8.9206 . . . . . . . . 130 D HN . 27976 1 455 . 1 . 1 144 144 ASP CA C 13 57.4923 . . . . . . . . 130 D CA . 27976 1 456 . 1 . 1 144 144 ASP CB C 13 39.5182 . . . . . . . . 130 D CB . 27976 1 457 . 1 . 1 144 144 ASP N N 15 121.6585 . . . . . . . . 130 D N . 27976 1 458 . 1 . 1 145 145 ASP H H 1 7.3113 . . . . . . . . 131 D HN . 27976 1 459 . 1 . 1 145 145 ASP CA C 13 57.0371 . . . . . . . . 131 D CA . 27976 1 460 . 1 . 1 145 145 ASP CB C 13 42.1017 . . . . . . . . 131 D CB . 27976 1 461 . 1 . 1 145 145 ASP N N 15 120.4028 . . . . . . . . 131 D N . 27976 1 462 . 1 . 1 146 146 HIS H H 1 8.2813 . . . . . . . . 132 H HN . 27976 1 463 . 1 . 1 146 146 HIS CA C 13 60.0915 . . . . . . . . 132 H CA . 27976 1 464 . 1 . 1 146 146 HIS N N 15 121.2861 . . . . . . . . 132 H N . 27976 1 465 . 1 . 1 147 147 ILE H H 1 8.9607 . . . . . . . . 133 I HN . 27976 1 466 . 1 . 1 147 147 ILE CA C 13 66.0977 . . . . . . . . 133 I CA . 27976 1 467 . 1 . 1 147 147 ILE CB C 13 37.9212 . . . . . . . . 133 I CB . 27976 1 468 . 1 . 1 147 147 ILE N N 15 120.4910 . . . . . . . . 133 I N . 27976 1 469 . 1 . 1 148 148 ARG H H 1 7.7560 . . . . . . . . 134 R HN . 27976 1 470 . 1 . 1 148 148 ARG CA C 13 60.2236 . . . . . . . . 134 R CA . 27976 1 471 . 1 . 1 148 148 ARG CB C 13 32.6417 . . . . . . . . 134 R CB . 27976 1 472 . 1 . 1 148 148 ARG N N 15 119.0515 . . . . . . . . 134 R N . 27976 1 473 . 1 . 1 149 149 MET H H 1 8.8009 . . . . . . . . 135 M HN . 27976 1 474 . 1 . 1 149 149 MET CA C 13 59.5638 . . . . . . . . 135 M CA . 27976 1 475 . 1 . 1 149 149 MET CB C 13 32.4977 . . . . . . . . 135 M CB . 27976 1 476 . 1 . 1 149 149 MET N N 15 120.6851 . . . . . . . . 135 M N . 27976 1 477 . 1 . 1 150 150 HIS H H 1 8.9092 . . . . . . . . 136 H HN . 27976 1 478 . 1 . 1 150 150 HIS CA C 13 58.9948 . . . . . . . . 136 H CA . 27976 1 479 . 1 . 1 150 150 HIS CB C 13 31.8759 . . . . . . . . 136 H CB . 27976 1 480 . 1 . 1 150 150 HIS N N 15 120.0803 . . . . . . . . 136 H N . 27976 1 481 . 1 . 1 151 151 LYS H H 1 8.1869 . . . . . . . . 137 K HN . 27976 1 482 . 1 . 1 151 151 LYS CA C 13 59.5429 . . . . . . . . 137 K CA . 27976 1 483 . 1 . 1 151 151 LYS CB C 13 31.7931 . . . . . . . . 137 K CB . 27976 1 484 . 1 . 1 151 151 LYS N N 15 118.3890 . . . . . . . . 137 K N . 27976 1 485 . 1 . 1 152 152 VAL H H 1 7.5004 . . . . . . . . 138 V HN . 27976 1 486 . 1 . 1 152 152 VAL CA C 13 65.3492 . . . . . . . . 138 V CA . 27976 1 487 . 1 . 1 152 152 VAL N N 15 118.3773 . . . . . . . . 138 V N . 27976 1 488 . 1 . 1 153 153 LEU H H 1 7.6132 . . . . . . . . 139 L HN . 27976 1 489 . 1 . 1 153 153 LEU CA C 13 57.6650 . . . . . . . . 139 L CA . 27976 1 490 . 1 . 1 153 153 LEU CB C 13 38.4991 . . . . . . . . 139 L CB . 27976 1 491 . 1 . 1 153 153 LEU N N 15 119.3838 . . . . . . . . 139 L N . 27976 1 492 . 1 . 1 154 154 GLN H H 1 9.1949 . . . . . . . . 140 Q HN . 27976 1 493 . 1 . 1 154 154 GLN CA C 13 59.5245 . . . . . . . . 140 Q CA . 27976 1 494 . 1 . 1 154 154 GLN CB C 13 29.4083 . . . . . . . . 140 Q CB . 27976 1 495 . 1 . 1 154 154 GLN N N 15 124.0914 . . . . . . . . 140 Q N . 27976 1 496 . 1 . 1 155 155 GLU H H 1 8.0470 . . . . . . . . 141 E HN . 27976 1 497 . 1 . 1 155 155 GLU CA C 13 56.8147 . . . . . . . . 141 E CA . 27976 1 498 . 1 . 1 155 155 GLU CB C 13 29.0322 . . . . . . . . 141 E CB . 27976 1 499 . 1 . 1 155 155 GLU N N 15 116.0605 . . . . . . . . 141 E N . 27976 1 500 . 1 . 1 156 156 SER H H 1 7.2470 . . . . . . . . 142 S HN . 27976 1 501 . 1 . 1 156 156 SER CA C 13 60.8644 . . . . . . . . 142 S CA . 27976 1 502 . 1 . 1 156 156 SER CB C 13 65.2648 . . . . . . . . 142 S CB . 27976 1 503 . 1 . 1 156 156 SER N N 15 113.7421 . . . . . . . . 142 S N . 27976 1 504 . 1 . 1 157 157 GLY H H 1 7.6255 . . . . . . . . 143 G HN . 27976 1 505 . 1 . 1 157 157 GLY CA C 13 45.7077 . . . . . . . . 143 G CA . 27976 1 506 . 1 . 1 157 157 GLY N N 15 110.5669 . . . . . . . . 143 G N . 27976 1 507 . 1 . 1 158 158 LEU H H 1 7.7534 . . . . . . . . 144 L HN . 27976 1 508 . 1 . 1 158 158 LEU CA C 13 53.8214 . . . . . . . . 144 L CA . 27976 1 509 . 1 . 1 158 158 LEU CB C 13 41.1649 . . . . . . . . 144 L CB . 27976 1 510 . 1 . 1 158 158 LEU N N 15 121.6474 . . . . . . . . 144 L N . 27976 1 511 . 1 . 1 159 159 LYS H H 1 8.4037 . . . . . . . . 145 K HN . 27976 1 512 . 1 . 1 159 159 LYS CA C 13 55.8071 . . . . . . . . 145 K CA . 27976 1 513 . 1 . 1 159 159 LYS CB C 13 30.4853 . . . . . . . . 145 K CB . 27976 1 514 . 1 . 1 159 159 LYS N N 15 121.8180 . . . . . . . . 145 K N . 27976 1 515 . 1 . 1 160 160 TYR H H 1 8.0185 . . . . . . . . 146 Y HN . 27976 1 516 . 1 . 1 160 160 TYR CA C 13 53.0294 . . . . . . . . 146 Y CA . 27976 1 517 . 1 . 1 160 160 TYR CB C 13 40.1283 . . . . . . . . 146 Y CB . 27976 1 518 . 1 . 1 160 160 TYR N N 15 127.0353 . . . . . . . . 146 Y N . 27976 1 519 . 1 . 1 161 161 VAL H H 1 8.7873 . . . . . . . . 147 V HN . 27976 1 520 . 1 . 1 161 161 VAL CA C 13 61.7704 . . . . . . . . 147 V CA . 27976 1 521 . 1 . 1 161 161 VAL CB C 13 32.6250 . . . . . . . . 147 V CB . 27976 1 522 . 1 . 1 161 161 VAL N N 15 132.0901 . . . . . . . . 147 V N . 27976 1 523 . 1 . 1 162 162 ALA H H 1 7.2504 . . . . . . . . 148 A HN . 27976 1 524 . 1 . 1 162 162 ALA CA C 13 50.9091 . . . . . . . . 148 A CA . 27976 1 525 . 1 . 1 162 162 ALA CB C 13 19.0598 . . . . . . . . 148 A CB . 27976 1 526 . 1 . 1 162 162 ALA N N 15 130.6169 . . . . . . . . 148 A N . 27976 1 527 . 1 . 1 163 163 VAL H H 1 8.3371 . . . . . . . . 149 V HN . 27976 1 528 . 1 . 1 163 163 VAL CA C 13 62.3048 . . . . . . . . 149 V CA . 27976 1 529 . 1 . 1 163 163 VAL CB C 13 31.7289 . . . . . . . . 149 V CB . 27976 1 530 . 1 . 1 163 163 VAL N N 15 128.3040 . . . . . . . . 149 V N . 27976 1 531 . 1 . 1 164 164 MET H H 1 8.9362 . . . . . . . . 150 M HN . 27976 1 532 . 1 . 1 164 164 MET CA C 13 53.5557 . . . . . . . . 150 M CA . 27976 1 533 . 1 . 1 164 164 MET CB C 13 32.0368 . . . . . . . . 150 M CB . 27976 1 534 . 1 . 1 164 164 MET N N 15 129.2692 . . . . . . . . 150 M N . 27976 1 535 . 1 . 1 166 166 PRO CA C 13 61.5531 . . . . . . . . 152 P CA . 27976 1 536 . 1 . 1 167 167 HIS H H 1 7.2000 . . . . . . . . 153 H HN . 27976 1 537 . 1 . 1 167 167 HIS CA C 13 57.8997 . . . . . . . . 153 H CA . 27976 1 538 . 1 . 1 167 167 HIS N N 15 114.9162 . . . . . . . . 153 H N . 27976 1 539 . 1 . 1 168 168 ILE H H 1 7.4596 . . . . . . . . 154 I HN . 27976 1 540 . 1 . 1 168 168 ILE CA C 13 59.5281 . . . . . . . . 154 I CA . 27976 1 541 . 1 . 1 168 168 ILE N N 15 123.9599 . . . . . . . . 154 I N . 27976 1 542 . 1 . 1 169 169 GLY H H 1 8.6200 . . . . . . . . 155 G HN . 27976 1 543 . 1 . 1 169 169 GLY CA C 13 43.2571 . . . . . . . . 155 G CA . 27976 1 544 . 1 . 1 169 169 GLY N N 15 115.2251 . . . . . . . . 155 G N . 27976 1 545 . 1 . 1 170 170 ASP H H 1 8.2707 . . . . . . . . 156 D HN . 27976 1 546 . 1 . 1 170 170 ASP CA C 13 53.6010 . . . . . . . . 156 D CA . 27976 1 547 . 1 . 1 170 170 ASP CB C 13 41.6412 . . . . . . . . 156 D CB . 27976 1 548 . 1 . 1 170 170 ASP N N 15 118.4922 . . . . . . . . 156 D N . 27976 1 549 . 1 . 1 171 171 GLN H H 1 8.8894 . . . . . . . . 157 Q HN . 27976 1 550 . 1 . 1 171 171 GLN CA C 13 56.6910 . . . . . . . . 157 Q CA . 27976 1 551 . 1 . 1 171 171 GLN CB C 13 24.8216 . . . . . . . . 157 Q CB . 27976 1 552 . 1 . 1 171 171 GLN N N 15 122.2941 . . . . . . . . 157 Q N . 27976 1 553 . 1 . 1 172 172 PRO CA C 13 63.0894 . . . . . . . . 158 P CA . 27976 1 554 . 1 . 1 172 172 PRO CB C 13 31.9986 . . . . . . . . 158 P CB . 27976 1 555 . 1 . 1 173 173 LEU H H 1 7.7562 . . . . . . . . 159 L HN . 27976 1 556 . 1 . 1 173 173 LEU CA C 13 56.2096 . . . . . . . . 159 L CA . 27976 1 557 . 1 . 1 173 173 LEU CB C 13 42.1797 . . . . . . . . 159 L CB . 27976 1 558 . 1 . 1 173 173 LEU N N 15 119.6258 . . . . . . . . 159 L N . 27976 1 559 . 1 . 1 174 174 THR H H 1 10.1926 . . . . . . . . 160 T HN . 27976 1 560 . 1 . 1 174 174 THR CA C 13 62.1984 . . . . . . . . 160 T CA . 27976 1 561 . 1 . 1 174 174 THR N N 15 119.9704 . . . . . . . . 160 T N . 27976 1 562 . 1 . 1 175 175 GLY H H 1 8.9604 . . . . . . . . 161 G HN . 27976 1 563 . 1 . 1 175 175 GLY CA C 13 45.7441 . . . . . . . . 161 G CA . 27976 1 564 . 1 . 1 175 175 GLY N N 15 112.6664 . . . . . . . . 161 G N . 27976 1 565 . 1 . 1 176 176 ALA H H 1 7.9453 . . . . . . . . 162 A HN . 27976 1 566 . 1 . 1 176 176 ALA CA C 13 51.3399 . . . . . . . . 162 A CA . 27976 1 567 . 1 . 1 176 176 ALA CB C 13 19.2406 . . . . . . . . 162 A CB . 27976 1 568 . 1 . 1 176 176 ALA N N 15 122.7335 . . . . . . . . 162 A N . 27976 1 569 . 1 . 1 177 177 TYR H H 1 5.8191 . . . . . . . . 163 Y HN . 27976 1 570 . 1 . 1 177 177 TYR CA C 13 53.9010 . . . . . . . . 163 Y CA . 27976 1 571 . 1 . 1 177 177 TYR CB C 13 38.8563 . . . . . . . . 163 Y CB . 27976 1 572 . 1 . 1 177 177 TYR N N 15 113.7899 . . . . . . . . 163 Y N . 27976 1 573 . 1 . 1 178 178 SER H H 1 8.8592 . . . . . . . . 164 S HN . 27976 1 574 . 1 . 1 178 178 SER CA C 13 56.9735 . . . . . . . . 164 S CA . 27976 1 575 . 1 . 1 178 178 SER CB C 13 65.3938 . . . . . . . . 164 S CB . 27976 1 576 . 1 . 1 178 178 SER N N 15 115.3975 . . . . . . . . 164 S N . 27976 1 577 . 1 . 1 179 179 VAL H H 1 8.5785 . . . . . . . . 165 V HN . 27976 1 578 . 1 . 1 179 179 VAL CA C 13 61.8510 . . . . . . . . 165 V CA . 27976 1 579 . 1 . 1 179 179 VAL CB C 13 33.9388 . . . . . . . . 165 V CB . 27976 1 580 . 1 . 1 179 179 VAL N N 15 122.4447 . . . . . . . . 165 V N . 27976 1 581 . 1 . 1 182 182 ASP CA C 13 54.6826 . . . . . . . . 168 D CA . 27976 1 582 . 1 . 1 183 183 GLY H H 1 7.3099 . . . . . . . . 169 G HN . 27976 1 583 . 1 . 1 183 183 GLY N N 15 103.0192 . . . . . . . . 169 G N . 27976 1 584 . 1 . 1 184 184 ARG H H 1 8.1412 . . . . . . . . 170 R HN . 27976 1 585 . 1 . 1 184 184 ARG CA C 13 55.3540 . . . . . . . . 170 R CA . 27976 1 586 . 1 . 1 184 184 ARG N N 15 116.1493 . . . . . . . . 170 R N . 27976 1 587 . 1 . 1 189 189 VAL CA C 13 60.0204 . . . . . . . . 175 V CA . 27976 1 588 . 1 . 1 190 190 ILE H H 1 8.5907 . . . . . . . . 176 I HN . 27976 1 589 . 1 . 1 190 190 ILE CA C 13 55.3850 . . . . . . . . 176 I CA . 27976 1 590 . 1 . 1 190 190 ILE CB C 13 42.0384 . . . . . . . . 176 I CB . 27976 1 591 . 1 . 1 190 190 ILE N N 15 121.8306 . . . . . . . . 176 I N . 27976 1 592 . 1 . 1 191 191 SER H H 1 9.1811 . . . . . . . . 177 S HN . 27976 1 593 . 1 . 1 191 191 SER CA C 13 57.3886 . . . . . . . . 177 S CA . 27976 1 594 . 1 . 1 191 191 SER CB C 13 64.6087 . . . . . . . . 177 S CB . 27976 1 595 . 1 . 1 191 191 SER N N 15 122.2692 . . . . . . . . 177 S N . 27976 1 596 . 1 . 1 192 192 LYS H H 1 9.0681 . . . . . . . . 178 K HN . 27976 1 597 . 1 . 1 192 192 LYS CA C 13 58.7873 . . . . . . . . 178 K CA . 27976 1 598 . 1 . 1 192 192 LYS N N 15 124.2619 . . . . . . . . 178 K N . 27976 1 599 . 1 . 1 193 193 HIS H H 1 7.0393 . . . . . . . . 179 H HN . 27976 1 600 . 1 . 1 193 193 HIS CA C 13 57.3617 . . . . . . . . 179 H CA . 27976 1 601 . 1 . 1 193 193 HIS CB C 13 31.3497 . . . . . . . . 179 H CB . 27976 1 602 . 1 . 1 193 193 HIS N N 15 117.6240 . . . . . . . . 179 H N . 27976 1 603 . 1 . 1 194 194 ASP H H 1 7.5415 . . . . . . . . 180 D HN . 27976 1 604 . 1 . 1 194 194 ASP CA C 13 56.5939 . . . . . . . . 180 D CA . 27976 1 605 . 1 . 1 194 194 ASP CB C 13 41.1079 . . . . . . . . 180 D CB . 27976 1 606 . 1 . 1 194 194 ASP N N 15 121.1614 . . . . . . . . 180 D N . 27976 1 607 . 1 . 1 195 195 LEU H H 1 8.7197 . . . . . . . . 181 L HN . 27976 1 608 . 1 . 1 195 195 LEU CA C 13 57.1992 . . . . . . . . 181 L CA . 27976 1 609 . 1 . 1 195 195 LEU CB C 13 40.1140 . . . . . . . . 181 L CB . 27976 1 610 . 1 . 1 195 195 LEU N N 15 121.5293 . . . . . . . . 181 L N . 27976 1 611 . 1 . 1 196 196 GLY H H 1 8.0594 . . . . . . . . 182 G HN . 27976 1 612 . 1 . 1 196 196 GLY CA C 13 48.5522 . . . . . . . . 182 G CA . 27976 1 613 . 1 . 1 196 196 GLY N N 15 106.8178 . . . . . . . . 182 G N . 27976 1 614 . 1 . 1 197 197 HIS H H 1 8.0615 . . . . . . . . 183 H HN . 27976 1 615 . 1 . 1 197 197 HIS CA C 13 61.1767 . . . . . . . . 183 H CA . 27976 1 616 . 1 . 1 197 197 HIS CB C 13 30.5493 . . . . . . . . 183 H CB . 27976 1 617 . 1 . 1 197 197 HIS N N 15 122.0300 . . . . . . . . 183 H N . 27976 1 618 . 1 . 1 198 198 PHE H H 1 8.7566 . . . . . . . . 184 F HN . 27976 1 619 . 1 . 1 198 198 PHE CA C 13 61.1812 . . . . . . . . 184 F CA . 27976 1 620 . 1 . 1 198 198 PHE CB C 13 38.2383 . . . . . . . . 184 F CB . 27976 1 621 . 1 . 1 198 198 PHE N N 15 122.3395 . . . . . . . . 184 F N . 27976 1 622 . 1 . 1 199 199 MET H H 1 8.5541 . . . . . . . . 185 M HN . 27976 1 623 . 1 . 1 199 199 MET CA C 13 58.5621 . . . . . . . . 185 M CA . 27976 1 624 . 1 . 1 199 199 MET CB C 13 30.0484 . . . . . . . . 185 M CB . 27976 1 625 . 1 . 1 199 199 MET N N 15 118.6964 . . . . . . . . 185 M N . 27976 1 626 . 1 . 1 200 200 LEU H H 1 7.4075 . . . . . . . . 186 L HN . 27976 1 627 . 1 . 1 200 200 LEU CA C 13 56.0638 . . . . . . . . 186 L CA . 27976 1 628 . 1 . 1 200 200 LEU CB C 13 40.0569 . . . . . . . . 186 L CB . 27976 1 629 . 1 . 1 200 200 LEU N N 15 112.7427 . . . . . . . . 186 L N . 27976 1 630 . 1 . 1 201 201 HIS H H 1 8.5926 . . . . . . . . 187 H HN . 27976 1 631 . 1 . 1 201 201 HIS CA C 13 59.6013 . . . . . . . . 187 H CA . 27976 1 632 . 1 . 1 201 201 HIS N N 15 123.7932 . . . . . . . . 187 H N . 27976 1 633 . 1 . 1 202 202 CYS H H 1 7.7353 . . . . . . . . 188 C HN . 27976 1 634 . 1 . 1 202 202 CYS CA C 13 63.5653 . . . . . . . . 188 C CA . 27976 1 635 . 1 . 1 202 202 CYS CB C 13 27.8476 . . . . . . . . 188 C CB . 27976 1 636 . 1 . 1 202 202 CYS N N 15 116.8042 . . . . . . . . 188 C N . 27976 1 637 . 1 . 1 203 203 LEU H H 1 7.5807 . . . . . . . . 189 L HN . 27976 1 638 . 1 . 1 203 203 LEU CA C 13 55.4318 . . . . . . . . 189 L CA . 27976 1 639 . 1 . 1 203 203 LEU CB C 13 40.7395 . . . . . . . . 189 L CB . 27976 1 640 . 1 . 1 203 203 LEU N N 15 115.0252 . . . . . . . . 189 L N . 27976 1 641 . 1 . 1 204 204 THR H H 1 7.8435 . . . . . . . . 190 T HN . 27976 1 642 . 1 . 1 204 204 THR CA C 13 61.5002 . . . . . . . . 190 T CA . 27976 1 643 . 1 . 1 204 204 THR CB C 13 70.1322 . . . . . . . . 190 T CB . 27976 1 644 . 1 . 1 204 204 THR N N 15 108.2604 . . . . . . . . 190 T N . 27976 1 645 . 1 . 1 205 205 THR H H 1 6.9441 . . . . . . . . 191 T HN . 27976 1 646 . 1 . 1 205 205 THR CA C 13 57.5826 . . . . . . . . 191 T CA . 27976 1 647 . 1 . 1 205 205 THR CB C 13 68.7845 . . . . . . . . 191 T CB . 27976 1 648 . 1 . 1 205 205 THR N N 15 114.5658 . . . . . . . . 191 T N . 27976 1 649 . 1 . 1 206 206 ALA H H 1 8.5730 . . . . . . . . 192 A HN . 27976 1 650 . 1 . 1 206 206 ALA CA C 13 51.5572 . . . . . . . . 192 A CA . 27976 1 651 . 1 . 1 206 206 ALA CB C 13 19.3970 . . . . . . . . 192 A CB . 27976 1 652 . 1 . 1 206 206 ALA N N 15 129.7046 . . . . . . . . 192 A N . 27976 1 653 . 1 . 1 207 207 GLU H H 1 8.2926 . . . . . . . . 193 E HN . 27976 1 654 . 1 . 1 207 207 GLU CA C 13 58.8560 . . . . . . . . 193 E CA . 27976 1 655 . 1 . 1 207 207 GLU CB C 13 29.7431 . . . . . . . . 193 E CB . 27976 1 656 . 1 . 1 207 207 GLU N N 15 121.1132 . . . . . . . . 193 E N . 27976 1 657 . 1 . 1 208 208 TYR H H 1 8.2888 . . . . . . . . 194 Y HN . 27976 1 658 . 1 . 1 208 208 TYR CA C 13 55.6839 . . . . . . . . 194 Y CA . 27976 1 659 . 1 . 1 208 208 TYR CB C 13 38.8346 . . . . . . . . 194 Y CB . 27976 1 660 . 1 . 1 208 208 TYR N N 15 116.5141 . . . . . . . . 194 Y N . 27976 1 661 . 1 . 1 209 209 ASP H H 1 7.5396 . . . . . . . . 195 D HN . 27976 1 662 . 1 . 1 209 209 ASP CA C 13 55.9461 . . . . . . . . 195 D CA . 27976 1 663 . 1 . 1 209 209 ASP CB C 13 38.6639 . . . . . . . . 195 D CB . 27976 1 664 . 1 . 1 209 209 ASP N N 15 123.3305 . . . . . . . . 195 D N . 27976 1 665 . 1 . 1 210 210 GLY H H 1 8.7467 . . . . . . . . 196 G HN . 27976 1 666 . 1 . 1 210 210 GLY CA C 13 45.9998 . . . . . . . . 196 G CA . 27976 1 667 . 1 . 1 210 210 GLY N N 15 111.9316 . . . . . . . . 196 G N . 27976 1 668 . 1 . 1 211 211 HIS H H 1 8.3526 . . . . . . . . 197 H HN . 27976 1 669 . 1 . 1 211 211 HIS CA C 13 54.6135 . . . . . . . . 197 H CA . 27976 1 670 . 1 . 1 211 211 HIS CB C 13 31.0570 . . . . . . . . 197 H CB . 27976 1 671 . 1 . 1 211 211 HIS N N 15 116.7593 . . . . . . . . 197 H N . 27976 1 672 . 1 . 1 212 212 SER H H 1 8.7809 . . . . . . . . 198 S HN . 27976 1 673 . 1 . 1 212 212 SER CA C 13 57.2580 . . . . . . . . 198 S CA . 27976 1 674 . 1 . 1 212 212 SER CB C 13 65.2495 . . . . . . . . 198 S CB . 27976 1 675 . 1 . 1 212 212 SER N N 15 116.5200 . . . . . . . . 198 S N . 27976 1 676 . 1 . 1 218 218 GLN H H 1 6.2840 . . . . . . . . 204 Q HN . 27976 1 677 . 1 . 1 218 218 GLN CA C 13 54.0827 . . . . . . . . 204 Q CA . 27976 1 678 . 1 . 1 218 218 GLN CB C 13 29.2308 . . . . . . . . 204 Q CB . 27976 1 679 . 1 . 1 218 218 GLN N N 15 122.0383 . . . . . . . . 204 Q N . 27976 1 680 . 1 . 1 219 219 TYR H H 1 8.4272 . . . . . . . . 205 Y HN . 27976 1 681 . 1 . 1 219 219 TYR CA C 13 58.5509 . . . . . . . . 205 Y CA . 27976 1 682 . 1 . 1 219 219 TYR CB C 13 39.2690 . . . . . . . . 205 Y CB . 27976 1 683 . 1 . 1 219 219 TYR N N 15 124.0596 . . . . . . . . 205 Y N . 27976 1 684 . 1 . 1 220 220 ASP H H 1 7.9553 . . . . . . . . 206 D HN . 27976 1 685 . 1 . 1 220 220 ASP CA C 13 55.5654 . . . . . . . . 206 D CA . 27976 1 686 . 1 . 1 220 220 ASP CB C 13 41.9562 . . . . . . . . 206 D CB . 27976 1 687 . 1 . 1 220 220 ASP N N 15 126.4996 . . . . . . . . 206 D N . 27976 1 stop_ save_