data_51607 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51607 _Entry.Title ; Assignment of PCaP1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-08-31 _Entry.Accession_date 2022-08-31 _Entry.Last_release_date 2022-09-01 _Entry.Original_release_date 2022-09-01 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Alicia Vallet . . . . 51607 2 Jacqueline Martin-Laffon . . . . 51607 3 Adrien Favier . . . . 51607 4 Benoit Revel . . . . 51607 5 Titouan Bonnot . . . . 51607 6 Claude Vidaud . . . . 51607 7 Jean Armengaud . . . . 51607 8 Jean-Charles Gaillard . . . . 51607 9 Pascale Delangle . . . . 51607 10 Fabienne Devime . . . . 51607 11 Sylvie Figuet . . . . 51607 12 Nelson Serre . . . . 51607 13 Elisabetta 'Boeri Erba' . . . . 51607 14 Bernhard Brutscher . . . . 51607 15 Stephane Ravanel . . . . 51607 16 Jacques Bourguignon . . . . 51607 17 Claude Alban . . . . 51607 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51607 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 336 51607 '15N chemical shifts' 120 51607 '1H chemical shifts' 120 51607 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 . . 2023-02-08 . original BMRB . 51607 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51607 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 36608581 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; The plasma membrane-associated cation-binding protein PCaP1 of Arabidopsis thaliana is a uranyl-binding protein ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Hazard. Mater.' _Citation.Journal_name_full 'Journal of hazardous materials' _Citation.Journal_volume 446 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 1873-3336 _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 130668 _Citation.Page_last 130668 _Citation.Year 2023 _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 Alicia Vallet . . . . 51607 1 2 Jacqueline Martin-Laffon . . . . 51607 1 3 Adrien Favier . . . . 51607 1 4 Benoit Revel . . . . 51607 1 5 Titouan Bonnot . . . . 51607 1 6 Claude Vidaud . . . . 51607 1 7 Jean Armengaud . . . . 51607 1 8 Jean-Charles Gaillard . . . . 51607 1 9 Pascale Delangle . . . . 51607 1 10 Fabienne Devime . . . . 51607 1 11 Sylvie Figuet . . . . 51607 1 12 Nelson Serre . . . . 51607 1 13 Elisabetta 'Boeri Erba' . . . . 51607 1 14 Bernhard Brutscher . . . . 51607 1 15 Stephane Ravanel . . . . 51607 1 16 Jacques Bourguignon . . . . 51607 1 17 Claude Alban . . . . 51607 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51607 _Assembly.ID 1 _Assembly.Name 'Plasma membrane-associated cation-binding protein 1 (PCaP1)' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 PCaP1 1 $entity_1 . . yes native no no . . . 51607 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51607 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGYWNSKVVPKFKKLFEKNS AKKAAAAEATKTFDESKETI NKEIEEKKTELQPKVVETYE ATSAEVKALVRDPKVAGLKK NSAAVQKYLEELVKIEFPGS KAVSEASSSFGAGYVAGPVT FIFEKVSVFLPEEVKTKEIP VEEVKAEEPAKTEEPAKTEG TSGEKEEIVEETKKGETPET AVVEEKKPEVEEKKEEATPA PAVVETPVKEPETTTTAPVA EPPKP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 225 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 51607 1 2 . GLY . 51607 1 3 . TYR . 51607 1 4 . TRP . 51607 1 5 . ASN . 51607 1 6 . SER . 51607 1 7 . LYS . 51607 1 8 . VAL . 51607 1 9 . VAL . 51607 1 10 . PRO . 51607 1 11 . LYS . 51607 1 12 . PHE . 51607 1 13 . LYS . 51607 1 14 . LYS . 51607 1 15 . LEU . 51607 1 16 . PHE . 51607 1 17 . GLU . 51607 1 18 . LYS . 51607 1 19 . ASN . 51607 1 20 . SER . 51607 1 21 . ALA . 51607 1 22 . LYS . 51607 1 23 . LYS . 51607 1 24 . ALA . 51607 1 25 . ALA . 51607 1 26 . ALA . 51607 1 27 . ALA . 51607 1 28 . GLU . 51607 1 29 . ALA . 51607 1 30 . THR . 51607 1 31 . LYS . 51607 1 32 . THR . 51607 1 33 . PHE . 51607 1 34 . ASP . 51607 1 35 . GLU . 51607 1 36 . SER . 51607 1 37 . LYS . 51607 1 38 . GLU . 51607 1 39 . THR . 51607 1 40 . ILE . 51607 1 41 . ASN . 51607 1 42 . LYS . 51607 1 43 . GLU . 51607 1 44 . ILE . 51607 1 45 . GLU . 51607 1 46 . GLU . 51607 1 47 . LYS . 51607 1 48 . LYS . 51607 1 49 . THR . 51607 1 50 . GLU . 51607 1 51 . LEU . 51607 1 52 . GLN . 51607 1 53 . PRO . 51607 1 54 . LYS . 51607 1 55 . VAL . 51607 1 56 . VAL . 51607 1 57 . GLU . 51607 1 58 . THR . 51607 1 59 . TYR . 51607 1 60 . GLU . 51607 1 61 . ALA . 51607 1 62 . THR . 51607 1 63 . SER . 51607 1 64 . ALA . 51607 1 65 . GLU . 51607 1 66 . VAL . 51607 1 67 . LYS . 51607 1 68 . ALA . 51607 1 69 . LEU . 51607 1 70 . VAL . 51607 1 71 . ARG . 51607 1 72 . ASP . 51607 1 73 . PRO . 51607 1 74 . LYS . 51607 1 75 . VAL . 51607 1 76 . ALA . 51607 1 77 . GLY . 51607 1 78 . LEU . 51607 1 79 . LYS . 51607 1 80 . LYS . 51607 1 81 . ASN . 51607 1 82 . SER . 51607 1 83 . ALA . 51607 1 84 . ALA . 51607 1 85 . VAL . 51607 1 86 . GLN . 51607 1 87 . LYS . 51607 1 88 . TYR . 51607 1 89 . LEU . 51607 1 90 . GLU . 51607 1 91 . GLU . 51607 1 92 . LEU . 51607 1 93 . VAL . 51607 1 94 . LYS . 51607 1 95 . ILE . 51607 1 96 . GLU . 51607 1 97 . PHE . 51607 1 98 . PRO . 51607 1 99 . GLY . 51607 1 100 . SER . 51607 1 101 . LYS . 51607 1 102 . ALA . 51607 1 103 . VAL . 51607 1 104 . SER . 51607 1 105 . GLU . 51607 1 106 . ALA . 51607 1 107 . SER . 51607 1 108 . SER . 51607 1 109 . SER . 51607 1 110 . PHE . 51607 1 111 . GLY . 51607 1 112 . ALA . 51607 1 113 . GLY . 51607 1 114 . TYR . 51607 1 115 . VAL . 51607 1 116 . ALA . 51607 1 117 . GLY . 51607 1 118 . PRO . 51607 1 119 . VAL . 51607 1 120 . THR . 51607 1 121 . PHE . 51607 1 122 . ILE . 51607 1 123 . PHE . 51607 1 124 . GLU . 51607 1 125 . LYS . 51607 1 126 . VAL . 51607 1 127 . SER . 51607 1 128 . VAL . 51607 1 129 . PHE . 51607 1 130 . LEU . 51607 1 131 . PRO . 51607 1 132 . GLU . 51607 1 133 . GLU . 51607 1 134 . VAL . 51607 1 135 . LYS . 51607 1 136 . THR . 51607 1 137 . LYS . 51607 1 138 . GLU . 51607 1 139 . ILE . 51607 1 140 . PRO . 51607 1 141 . VAL . 51607 1 142 . GLU . 51607 1 143 . GLU . 51607 1 144 . VAL . 51607 1 145 . LYS . 51607 1 146 . ALA . 51607 1 147 . GLU . 51607 1 148 . GLU . 51607 1 149 . PRO . 51607 1 150 . ALA . 51607 1 151 . LYS . 51607 1 152 . THR . 51607 1 153 . GLU . 51607 1 154 . GLU . 51607 1 155 . PRO . 51607 1 156 . ALA . 51607 1 157 . LYS . 51607 1 158 . THR . 51607 1 159 . GLU . 51607 1 160 . GLY . 51607 1 161 . THR . 51607 1 162 . SER . 51607 1 163 . GLY . 51607 1 164 . GLU . 51607 1 165 . LYS . 51607 1 166 . GLU . 51607 1 167 . GLU . 51607 1 168 . ILE . 51607 1 169 . VAL . 51607 1 170 . GLU . 51607 1 171 . GLU . 51607 1 172 . THR . 51607 1 173 . LYS . 51607 1 174 . LYS . 51607 1 175 . GLY . 51607 1 176 . GLU . 51607 1 177 . THR . 51607 1 178 . PRO . 51607 1 179 . GLU . 51607 1 180 . THR . 51607 1 181 . ALA . 51607 1 182 . VAL . 51607 1 183 . VAL . 51607 1 184 . GLU . 51607 1 185 . GLU . 51607 1 186 . LYS . 51607 1 187 . LYS . 51607 1 188 . PRO . 51607 1 189 . GLU . 51607 1 190 . VAL . 51607 1 191 . GLU . 51607 1 192 . GLU . 51607 1 193 . LYS . 51607 1 194 . LYS . 51607 1 195 . GLU . 51607 1 196 . GLU . 51607 1 197 . ALA . 51607 1 198 . THR . 51607 1 199 . PRO . 51607 1 200 . ALA . 51607 1 201 . PRO . 51607 1 202 . ALA . 51607 1 203 . VAL . 51607 1 204 . VAL . 51607 1 205 . GLU . 51607 1 206 . THR . 51607 1 207 . PRO . 51607 1 208 . VAL . 51607 1 209 . LYS . 51607 1 210 . GLU . 51607 1 211 . PRO . 51607 1 212 . GLU . 51607 1 213 . THR . 51607 1 214 . THR . 51607 1 215 . THR . 51607 1 216 . THR . 51607 1 217 . ALA . 51607 1 218 . PRO . 51607 1 219 . VAL . 51607 1 220 . ALA . 51607 1 221 . GLU . 51607 1 222 . PRO . 51607 1 223 . PRO . 51607 1 224 . LYS . 51607 1 225 . PRO . 51607 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 51607 1 . GLY 2 2 51607 1 . TYR 3 3 51607 1 . TRP 4 4 51607 1 . ASN 5 5 51607 1 . SER 6 6 51607 1 . LYS 7 7 51607 1 . VAL 8 8 51607 1 . VAL 9 9 51607 1 . PRO 10 10 51607 1 . LYS 11 11 51607 1 . PHE 12 12 51607 1 . LYS 13 13 51607 1 . LYS 14 14 51607 1 . LEU 15 15 51607 1 . PHE 16 16 51607 1 . GLU 17 17 51607 1 . LYS 18 18 51607 1 . ASN 19 19 51607 1 . SER 20 20 51607 1 . ALA 21 21 51607 1 . LYS 22 22 51607 1 . LYS 23 23 51607 1 . ALA 24 24 51607 1 . ALA 25 25 51607 1 . ALA 26 26 51607 1 . ALA 27 27 51607 1 . GLU 28 28 51607 1 . ALA 29 29 51607 1 . THR 30 30 51607 1 . LYS 31 31 51607 1 . THR 32 32 51607 1 . PHE 33 33 51607 1 . ASP 34 34 51607 1 . GLU 35 35 51607 1 . SER 36 36 51607 1 . LYS 37 37 51607 1 . GLU 38 38 51607 1 . THR 39 39 51607 1 . ILE 40 40 51607 1 . ASN 41 41 51607 1 . LYS 42 42 51607 1 . GLU 43 43 51607 1 . ILE 44 44 51607 1 . GLU 45 45 51607 1 . GLU 46 46 51607 1 . LYS 47 47 51607 1 . LYS 48 48 51607 1 . THR 49 49 51607 1 . GLU 50 50 51607 1 . LEU 51 51 51607 1 . GLN 52 52 51607 1 . PRO 53 53 51607 1 . LYS 54 54 51607 1 . VAL 55 55 51607 1 . VAL 56 56 51607 1 . GLU 57 57 51607 1 . THR 58 58 51607 1 . TYR 59 59 51607 1 . GLU 60 60 51607 1 . ALA 61 61 51607 1 . THR 62 62 51607 1 . SER 63 63 51607 1 . ALA 64 64 51607 1 . GLU 65 65 51607 1 . VAL 66 66 51607 1 . LYS 67 67 51607 1 . ALA 68 68 51607 1 . LEU 69 69 51607 1 . VAL 70 70 51607 1 . ARG 71 71 51607 1 . ASP 72 72 51607 1 . PRO 73 73 51607 1 . LYS 74 74 51607 1 . VAL 75 75 51607 1 . ALA 76 76 51607 1 . GLY 77 77 51607 1 . LEU 78 78 51607 1 . LYS 79 79 51607 1 . LYS 80 80 51607 1 . ASN 81 81 51607 1 . SER 82 82 51607 1 . ALA 83 83 51607 1 . ALA 84 84 51607 1 . VAL 85 85 51607 1 . GLN 86 86 51607 1 . LYS 87 87 51607 1 . TYR 88 88 51607 1 . LEU 89 89 51607 1 . GLU 90 90 51607 1 . GLU 91 91 51607 1 . LEU 92 92 51607 1 . VAL 93 93 51607 1 . LYS 94 94 51607 1 . ILE 95 95 51607 1 . GLU 96 96 51607 1 . PHE 97 97 51607 1 . PRO 98 98 51607 1 . GLY 99 99 51607 1 . SER 100 100 51607 1 . LYS 101 101 51607 1 . ALA 102 102 51607 1 . VAL 103 103 51607 1 . SER 104 104 51607 1 . GLU 105 105 51607 1 . ALA 106 106 51607 1 . SER 107 107 51607 1 . SER 108 108 51607 1 . SER 109 109 51607 1 . PHE 110 110 51607 1 . GLY 111 111 51607 1 . ALA 112 112 51607 1 . GLY 113 113 51607 1 . TYR 114 114 51607 1 . VAL 115 115 51607 1 . ALA 116 116 51607 1 . GLY 117 117 51607 1 . PRO 118 118 51607 1 . VAL 119 119 51607 1 . THR 120 120 51607 1 . PHE 121 121 51607 1 . ILE 122 122 51607 1 . PHE 123 123 51607 1 . GLU 124 124 51607 1 . LYS 125 125 51607 1 . VAL 126 126 51607 1 . SER 127 127 51607 1 . VAL 128 128 51607 1 . PHE 129 129 51607 1 . LEU 130 130 51607 1 . PRO 131 131 51607 1 . GLU 132 132 51607 1 . GLU 133 133 51607 1 . VAL 134 134 51607 1 . LYS 135 135 51607 1 . THR 136 136 51607 1 . LYS 137 137 51607 1 . GLU 138 138 51607 1 . ILE 139 139 51607 1 . PRO 140 140 51607 1 . VAL 141 141 51607 1 . GLU 142 142 51607 1 . GLU 143 143 51607 1 . VAL 144 144 51607 1 . LYS 145 145 51607 1 . ALA 146 146 51607 1 . GLU 147 147 51607 1 . GLU 148 148 51607 1 . PRO 149 149 51607 1 . ALA 150 150 51607 1 . LYS 151 151 51607 1 . THR 152 152 51607 1 . GLU 153 153 51607 1 . GLU 154 154 51607 1 . PRO 155 155 51607 1 . ALA 156 156 51607 1 . LYS 157 157 51607 1 . THR 158 158 51607 1 . GLU 159 159 51607 1 . GLY 160 160 51607 1 . THR 161 161 51607 1 . SER 162 162 51607 1 . GLY 163 163 51607 1 . GLU 164 164 51607 1 . LYS 165 165 51607 1 . GLU 166 166 51607 1 . GLU 167 167 51607 1 . ILE 168 168 51607 1 . VAL 169 169 51607 1 . GLU 170 170 51607 1 . GLU 171 171 51607 1 . THR 172 172 51607 1 . LYS 173 173 51607 1 . LYS 174 174 51607 1 . GLY 175 175 51607 1 . GLU 176 176 51607 1 . THR 177 177 51607 1 . PRO 178 178 51607 1 . GLU 179 179 51607 1 . THR 180 180 51607 1 . ALA 181 181 51607 1 . VAL 182 182 51607 1 . VAL 183 183 51607 1 . GLU 184 184 51607 1 . GLU 185 185 51607 1 . LYS 186 186 51607 1 . LYS 187 187 51607 1 . PRO 188 188 51607 1 . GLU 189 189 51607 1 . VAL 190 190 51607 1 . GLU 191 191 51607 1 . GLU 192 192 51607 1 . LYS 193 193 51607 1 . LYS 194 194 51607 1 . GLU 195 195 51607 1 . GLU 196 196 51607 1 . ALA 197 197 51607 1 . THR 198 198 51607 1 . PRO 199 199 51607 1 . ALA 200 200 51607 1 . PRO 201 201 51607 1 . ALA 202 202 51607 1 . VAL 203 203 51607 1 . VAL 204 204 51607 1 . GLU 205 205 51607 1 . THR 206 206 51607 1 . PRO 207 207 51607 1 . VAL 208 208 51607 1 . LYS 209 209 51607 1 . GLU 210 210 51607 1 . PRO 211 211 51607 1 . GLU 212 212 51607 1 . THR 213 213 51607 1 . THR 214 214 51607 1 . THR 215 215 51607 1 . THR 216 216 51607 1 . ALA 217 217 51607 1 . PRO 218 218 51607 1 . VAL 219 219 51607 1 . ALA 220 220 51607 1 . GLU 221 221 51607 1 . PRO 222 222 51607 1 . PRO 223 223 51607 1 . LYS 224 224 51607 1 . PRO 225 225 51607 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51607 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 3702 organism . 'Arabidopsis thaliana' 'Thale cress' . . Eukaryota Viridiplantae Arabidopsis thaliana . . . . . . . . . . . . . 51607 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51607 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'purified from the natural source' . . . . . . . . . . . . . . . . 51607 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51607 _Sample.ID 1 _Sample.Name PCaP1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 PCaP1 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 200 . . uM . . . . 51607 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 51607 _Sample_condition_list.ID 1 _Sample_condition_list.Name PCaP1 _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' 150 . mM 51607 1 pH 7.5 . pH 51607 1 pressure 1 . atm 51607 1 temperature 300 . K 51607 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51607 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51607 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51607 _Software.ID 2 _Software.Type . _Software.Name CcpNMR _Software.Version V3 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51607 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51607 _Software.ID 3 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51607 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51607 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '950 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51607 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '1D 1H' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51607 1 2 '2D 1H-15N TROSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51607 1 3 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51607 1 4 '3D HN(CA)CO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51607 1 5 '3D HNCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51607 1 6 '3D CBCANH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51607 1 7 '3D CBCA(CO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51607 1 8 '2D 1H-13C HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51607 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 51607 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'PCaP1 HCN' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS carbonyl . . . . ppm 0 internal direct 1 . . . . . 51607 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 51607 1 N 15 DSS nitrogen . . . . ppm 0 internal direct 1 . . . . . 51607 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51607 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name PCaP1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '1D 1H' . . . 51607 1 2 '2D 1H-15N TROSY' . . . 51607 1 3 '3D HNCO' . . . 51607 1 4 '3D HN(CA)CO' . . . 51607 1 5 '3D HNCA' . . . 51607 1 6 '3D CBCANH' . . . 51607 1 7 '3D CBCA(CO)NH' . . . 51607 1 8 '2D 1H-13C HSQC' . . . 51607 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 51607 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 29 29 ALA H H 1 7.944972483 0 . . . . . . . 29 ALA H . 51607 1 2 . 1 . 1 29 29 ALA C C 13 180.906633 0 . . . . . . . 29 ALA C . 51607 1 3 . 1 . 1 29 29 ALA CA C 13 54.90627977 0 . . . . . . . 29 ALA CA . 51607 1 4 . 1 . 1 29 29 ALA CB C 13 18.14110999 0 . . . . . . . 29 ALA CB . 51607 1 5 . 1 . 1 29 29 ALA N N 15 122.3453847 0 . . . . . . . 29 ALA N . 51607 1 6 . 1 . 1 30 30 THR H H 1 8.221950247 0 . . . . . . . 30 THR H . 51607 1 7 . 1 . 1 30 30 THR C C 13 174.8255966 0 . . . . . . . 30 THR C . 51607 1 8 . 1 . 1 30 30 THR CA C 13 66.85131118 0 . . . . . . . 30 THR CA . 51607 1 9 . 1 . 1 30 30 THR CB C 13 68.63835342 0 . . . . . . . 30 THR CB . 51607 1 10 . 1 . 1 30 30 THR N N 15 115.114938 0 . . . . . . . 30 THR N . 51607 1 11 . 1 . 1 31 31 LYS H H 1 7.917170792 0 . . . . . . . 31 LYS H . 51607 1 12 . 1 . 1 31 31 LYS C C 13 178.991438 0 . . . . . . . 31 LYS C . 51607 1 13 . 1 . 1 31 31 LYS CA C 13 59.75420582 0 . . . . . . . 31 LYS CA . 51607 1 14 . 1 . 1 31 31 LYS CB C 13 32.38274405 0 . . . . . . . 31 LYS CB . 51607 1 15 . 1 . 1 31 31 LYS N N 15 123.6953817 0 . . . . . . . 31 LYS N . 51607 1 16 . 1 . 1 32 32 THR H H 1 8.188615802 0 . . . . . . . 32 THR H . 51607 1 17 . 1 . 1 32 32 THR C C 13 176.9398159 0 . . . . . . . 32 THR C . 51607 1 18 . 1 . 1 32 32 THR CA C 13 66.02306984 0 . . . . . . . 32 THR CA . 51607 1 19 . 1 . 1 32 32 THR CB C 13 68.93686923 0 . . . . . . . 32 THR CB . 51607 1 20 . 1 . 1 32 32 THR N N 15 114.6769257 0 . . . . . . . 32 THR N . 51607 1 21 . 1 . 1 33 33 PHE H H 1 8.12085739 0 . . . . . . . 33 PHE H . 51607 1 22 . 1 . 1 33 33 PHE CA C 13 62.38904111 0 . . . . . . . 33 PHE CA . 51607 1 23 . 1 . 1 33 33 PHE CB C 13 38.74666477 0 . . . . . . . 33 PHE CB . 51607 1 24 . 1 . 1 33 33 PHE N N 15 123.8830524 0 . . . . . . . 33 PHE N . 51607 1 25 . 1 . 1 34 34 ASP H H 1 8.807496857 0 . . . . . . . 34 ASP H . 51607 1 26 . 1 . 1 34 34 ASP C C 13 179.3375639 0 . . . . . . . 34 ASP C . 51607 1 27 . 1 . 1 34 34 ASP CA C 13 57.81509878 0 . . . . . . . 34 ASP CA . 51607 1 28 . 1 . 1 34 34 ASP CB C 13 40.02958498 0 . . . . . . . 34 ASP CB . 51607 1 29 . 1 . 1 34 34 ASP N N 15 121.5133879 0 . . . . . . . 34 ASP N . 51607 1 30 . 1 . 1 35 35 GLU H H 1 7.600117301 0 . . . . . . . 35 GLU H . 51607 1 31 . 1 . 1 35 35 GLU C C 13 177.5566618 0 . . . . . . . 35 GLU C . 51607 1 32 . 1 . 1 35 35 GLU CA C 13 58.20216404 0 . . . . . . . 35 GLU CA . 51607 1 33 . 1 . 1 35 35 GLU CB C 13 29.58190739 0 . . . . . . . 35 GLU CB . 51607 1 34 . 1 . 1 35 35 GLU N N 15 117.7532971 0 . . . . . . . 35 GLU N . 51607 1 35 . 1 . 1 36 36 SER H H 1 7.900698294 0 . . . . . . . 36 SER H . 51607 1 36 . 1 . 1 36 36 SER C C 13 174.6031773 0 . . . . . . . 36 SER C . 51607 1 37 . 1 . 1 36 36 SER CA C 13 58.89949959 0 . . . . . . . 36 SER CA . 51607 1 38 . 1 . 1 36 36 SER CB C 13 64.71653275 0 . . . . . . . 36 SER CB . 51607 1 39 . 1 . 1 36 36 SER N N 15 114.6351838 0 . . . . . . . 36 SER N . 51607 1 40 . 1 . 1 37 37 LYS H H 1 7.016033924 0 . . . . . . . 37 LYS H . 51607 1 41 . 1 . 1 37 37 LYS C C 13 177.3395821 0 . . . . . . . 37 LYS C . 51607 1 42 . 1 . 1 37 37 LYS CA C 13 61.29291106 0 . . . . . . . 37 LYS CA . 51607 1 43 . 1 . 1 37 37 LYS CB C 13 32.50073507 0 . . . . . . . 37 LYS CB . 51607 1 44 . 1 . 1 37 37 LYS N N 15 121.9685361 0 . . . . . . . 37 LYS N . 51607 1 45 . 1 . 1 38 38 GLU H H 1 8.427222835 0 . . . . . . . 38 GLU H . 51607 1 46 . 1 . 1 38 38 GLU C C 13 179.4141079 0 . . . . . . . 38 GLU C . 51607 1 47 . 1 . 1 38 38 GLU CA C 13 59.79506652 0 . . . . . . . 38 GLU CA . 51607 1 48 . 1 . 1 38 38 GLU CB C 13 28.8823801 0 . . . . . . . 38 GLU CB . 51607 1 49 . 1 . 1 38 38 GLU N N 15 116.8324893 0 . . . . . . . 38 GLU N . 51607 1 50 . 1 . 1 39 39 THR H H 1 7.771862247 0 . . . . . . . 39 THR H . 51607 1 51 . 1 . 1 39 39 THR C C 13 176.5344475 0 . . . . . . . 39 THR C . 51607 1 52 . 1 . 1 39 39 THR CA C 13 66.55028008 0 . . . . . . . 39 THR CA . 51607 1 53 . 1 . 1 39 39 THR CB C 13 68.66089759 0 . . . . . . . 39 THR CB . 51607 1 54 . 1 . 1 39 39 THR N N 15 117.2682746 0 . . . . . . . 39 THR N . 51607 1 55 . 1 . 1 40 40 ILE H H 1 8.057459754 0 . . . . . . . 40 ILE H . 51607 1 56 . 1 . 1 40 40 ILE C C 13 177.663301 0 . . . . . . . 40 ILE C . 51607 1 57 . 1 . 1 40 40 ILE CA C 13 65.66041186 0 . . . . . . . 40 ILE CA . 51607 1 58 . 1 . 1 40 40 ILE CB C 13 37.94616946 0 . . . . . . . 40 ILE CB . 51607 1 59 . 1 . 1 40 40 ILE N N 15 124.0106181 0 . . . . . . . 40 ILE N . 51607 1 60 . 1 . 1 41 41 ASN H H 1 8.665333151 0 . . . . . . . 41 ASN H . 51607 1 61 . 1 . 1 41 41 ASN C C 13 178.548581 0 . . . . . . . 41 ASN C . 51607 1 62 . 1 . 1 41 41 ASN CA C 13 56.54978433 0 . . . . . . . 41 ASN CA . 51607 1 63 . 1 . 1 41 41 ASN CB C 13 38.08351836 0 . . . . . . . 41 ASN CB . 51607 1 64 . 1 . 1 41 41 ASN N N 15 117.6447525 0 . . . . . . . 41 ASN N . 51607 1 65 . 1 . 1 42 42 LYS H H 1 7.762637997 0 . . . . . . . 42 LYS H . 51607 1 66 . 1 . 1 42 42 LYS CB C 13 32.42999109 0 . . . . . . . 42 LYS CB . 51607 1 67 . 1 . 1 42 42 LYS N N 15 120.2888388 0 . . . . . . . 42 LYS N . 51607 1 68 . 1 . 1 43 43 GLU H H 1 8.140526361 0 . . . . . . . 43 GLU H . 51607 1 69 . 1 . 1 43 43 GLU C C 13 179.0467067 0 . . . . . . . 43 GLU C . 51607 1 70 . 1 . 1 43 43 GLU CA C 13 59.73535125 0 . . . . . . . 43 GLU CA . 51607 1 71 . 1 . 1 43 43 GLU CB C 13 30.01571763 0 . . . . . . . 43 GLU CB . 51607 1 72 . 1 . 1 43 43 GLU N N 15 121.2937579 0 . . . . . . . 43 GLU N . 51607 1 73 . 1 . 1 44 44 ILE H H 1 8.379128478 0 . . . . . . . 44 ILE H . 51607 1 74 . 1 . 1 44 44 ILE C C 13 176.854704 0 . . . . . . . 44 ILE C . 51607 1 75 . 1 . 1 44 44 ILE CA C 13 65.67576917 0 . . . . . . . 44 ILE CA . 51607 1 76 . 1 . 1 44 44 ILE CB C 13 37.33558849 0 . . . . . . . 44 ILE CB . 51607 1 77 . 1 . 1 44 44 ILE N N 15 118.0846862 0 . . . . . . . 44 ILE N . 51607 1 78 . 1 . 1 45 45 GLU H H 1 7.468333202 0 . . . . . . . 45 GLU H . 51607 1 79 . 1 . 1 45 45 GLU C C 13 179.6617363 0 . . . . . . . 45 GLU C . 51607 1 80 . 1 . 1 45 45 GLU CA C 13 59.19874475 0 . . . . . . . 45 GLU CA . 51607 1 81 . 1 . 1 45 45 GLU CB C 13 29.34638296 0 . . . . . . . 45 GLU CB . 51607 1 82 . 1 . 1 45 45 GLU N N 15 116.3287858 0 . . . . . . . 45 GLU N . 51607 1 83 . 1 . 1 46 46 GLU H H 1 8.136991619 0 . . . . . . . 46 GLU H . 51607 1 84 . 1 . 1 46 46 GLU C C 13 178.8751477 0 . . . . . . . 46 GLU C . 51607 1 85 . 1 . 1 46 46 GLU CA C 13 59.13096428 0 . . . . . . . 46 GLU CA . 51607 1 86 . 1 . 1 46 46 GLU CB C 13 30.21303724 0 . . . . . . . 46 GLU CB . 51607 1 87 . 1 . 1 46 46 GLU N N 15 117.8680872 0 . . . . . . . 46 GLU N . 51607 1 88 . 1 . 1 47 47 LYS H H 1 7.850937546 0 . . . . . . . 47 LYS H . 51607 1 89 . 1 . 1 47 47 LYS CA C 13 55.79678256 0 . . . . . . . 47 LYS CA . 51607 1 90 . 1 . 1 47 47 LYS CB C 13 32.99841894 0 . . . . . . . 47 LYS CB . 51607 1 91 . 1 . 1 47 47 LYS N N 15 116.6704661 0 . . . . . . . 47 LYS N . 51607 1 92 . 1 . 1 48 48 LYS H H 1 7.445617647 0 . . . . . . . 48 LYS H . 51607 1 93 . 1 . 1 48 48 LYS C C 13 177.787783 0 . . . . . . . 48 LYS C . 51607 1 94 . 1 . 1 48 48 LYS CA C 13 61.56131371 0 . . . . . . . 48 LYS CA . 51607 1 95 . 1 . 1 48 48 LYS CB C 13 32.81514038 0 . . . . . . . 48 LYS CB . 51607 1 96 . 1 . 1 48 48 LYS N N 15 121.6386977 0 . . . . . . . 48 LYS N . 51607 1 97 . 1 . 1 49 49 THR H H 1 8.436444625 0 . . . . . . . 49 THR H . 51607 1 98 . 1 . 1 49 49 THR C C 13 176.5699596 0 . . . . . . . 49 THR C . 51607 1 99 . 1 . 1 49 49 THR CA C 13 66.18509749 0 . . . . . . . 49 THR CA . 51607 1 100 . 1 . 1 49 49 THR CB C 13 68.40614153 0 . . . . . . . 49 THR CB . 51607 1 101 . 1 . 1 49 49 THR N N 15 113.4485445 0 . . . . . . . 49 THR N . 51607 1 102 . 1 . 1 50 50 GLU H H 1 7.899211763 0 . . . . . . . 50 GLU H . 51607 1 103 . 1 . 1 50 50 GLU C C 13 178.8724808 0 . . . . . . . 50 GLU C . 51607 1 104 . 1 . 1 50 50 GLU CA C 13 58.44818579 0 . . . . . . . 50 GLU CA . 51607 1 105 . 1 . 1 50 50 GLU CB C 13 30.02465289 0 . . . . . . . 50 GLU CB . 51607 1 106 . 1 . 1 50 50 GLU N N 15 121.2974017 0 . . . . . . . 50 GLU N . 51607 1 107 . 1 . 1 51 51 LEU H H 1 8.426593018 0 . . . . . . . 51 LEU H . 51607 1 108 . 1 . 1 51 51 LEU C C 13 178.5834336 0 . . . . . . . 51 LEU C . 51607 1 109 . 1 . 1 51 51 LEU CA C 13 56.9942644 0 . . . . . . . 51 LEU CA . 51607 1 110 . 1 . 1 51 51 LEU CB C 13 43.7372031 0 . . . . . . . 51 LEU CB . 51607 1 111 . 1 . 1 51 51 LEU N N 15 117.2278144 0 . . . . . . . 51 LEU N . 51607 1 112 . 1 . 1 52 52 GLN H H 1 7.88030108 0 . . . . . . . 52 GLN H . 51607 1 113 . 1 . 1 52 52 GLN CB C 13 25.64685128 0 . . . . . . . 52 GLN CB . 51607 1 114 . 1 . 1 52 52 GLN N N 15 117.3934769 0 . . . . . . . 52 GLN N . 51607 1 115 . 1 . 1 54 54 LYS H H 1 6.948480556 0 . . . . . . . 54 LYS H . 51607 1 116 . 1 . 1 54 54 LYS C C 13 179.7488905 0 . . . . . . . 54 LYS C . 51607 1 117 . 1 . 1 54 54 LYS CA C 13 58.19941679 0 . . . . . . . 54 LYS CA . 51607 1 118 . 1 . 1 54 54 LYS CB C 13 32.99026035 0 . . . . . . . 54 LYS CB . 51607 1 119 . 1 . 1 54 54 LYS N N 15 116.3115918 0 . . . . . . . 54 LYS N . 51607 1 120 . 1 . 1 55 55 VAL H H 1 8.541917264 0 . . . . . . . 55 VAL H . 51607 1 121 . 1 . 1 55 55 VAL C C 13 178.9199773 0 . . . . . . . 55 VAL C . 51607 1 122 . 1 . 1 55 55 VAL CA C 13 66.24958295 0 . . . . . . . 55 VAL CA . 51607 1 123 . 1 . 1 55 55 VAL CB C 13 31.47471598 0 . . . . . . . 55 VAL CB . 51607 1 124 . 1 . 1 55 55 VAL N N 15 122.6010887 0 . . . . . . . 55 VAL N . 51607 1 125 . 1 . 1 56 56 VAL H H 1 7.969298863 0 . . . . . . . 56 VAL H . 51607 1 126 . 1 . 1 56 56 VAL C C 13 177.2834637 0 . . . . . . . 56 VAL C . 51607 1 127 . 1 . 1 56 56 VAL CA C 13 67.8333066 0 . . . . . . . 56 VAL CA . 51607 1 128 . 1 . 1 56 56 VAL CB C 13 31.78142032 0 . . . . . . . 56 VAL CB . 51607 1 129 . 1 . 1 56 56 VAL N N 15 120.6229446 0 . . . . . . . 56 VAL N . 51607 1 130 . 1 . 1 57 57 GLU H H 1 7.840727892 0 . . . . . . . 57 GLU H . 51607 1 131 . 1 . 1 57 57 GLU C C 13 179.9027413 0 . . . . . . . 57 GLU C . 51607 1 132 . 1 . 1 57 57 GLU CA C 13 60.10114813 0 . . . . . . . 57 GLU CA . 51607 1 133 . 1 . 1 57 57 GLU CB C 13 30.06897356 0 . . . . . . . 57 GLU CB . 51607 1 134 . 1 . 1 57 57 GLU N N 15 118.6995789 0 . . . . . . . 57 GLU N . 51607 1 135 . 1 . 1 58 58 THR H H 1 7.954811324 0 . . . . . . . 58 THR H . 51607 1 136 . 1 . 1 58 58 THR C C 13 177.0642894 0 . . . . . . . 58 THR C . 51607 1 137 . 1 . 1 58 58 THR CA C 13 65.14224449 0 . . . . . . . 58 THR CA . 51607 1 138 . 1 . 1 58 58 THR CB C 13 69.84517566 0 . . . . . . . 58 THR CB . 51607 1 139 . 1 . 1 58 58 THR N N 15 128.4821249 0 . . . . . . . 58 THR N . 51607 1 140 . 1 . 1 59 59 TYR H H 1 7.953603092 0 . . . . . . . 59 TYR H . 51607 1 141 . 1 . 1 59 59 TYR C C 13 177.2316126 0 . . . . . . . 59 TYR C . 51607 1 142 . 1 . 1 59 59 TYR CA C 13 61.47580158 0 . . . . . . . 59 TYR CA . 51607 1 143 . 1 . 1 59 59 TYR CB C 13 39.01005861 0 . . . . . . . 59 TYR CB . 51607 1 144 . 1 . 1 59 59 TYR N N 15 125.0425865 0 . . . . . . . 59 TYR N . 51607 1 145 . 1 . 1 60 60 GLU H H 1 8.583330968 0 . . . . . . . 60 GLU H . 51607 1 146 . 1 . 1 60 60 GLU C C 13 178.2167727 0 . . . . . . . 60 GLU C . 51607 1 147 . 1 . 1 60 60 GLU CA C 13 59.22730739 0 . . . . . . . 60 GLU CA . 51607 1 148 . 1 . 1 60 60 GLU CB C 13 29.35077583 0 . . . . . . . 60 GLU CB . 51607 1 149 . 1 . 1 60 60 GLU N N 15 117.5053731 0 . . . . . . . 60 GLU N . 51607 1 150 . 1 . 1 61 61 ALA H H 1 7.183658897 0 . . . . . . . 61 ALA H . 51607 1 151 . 1 . 1 61 61 ALA C C 13 177.9887607 0 . . . . . . . 61 ALA C . 51607 1 152 . 1 . 1 61 61 ALA CA C 13 52.44198973 0 . . . . . . . 61 ALA CA . 51607 1 153 . 1 . 1 61 61 ALA CB C 13 19.66848286 0 . . . . . . . 61 ALA CB . 51607 1 154 . 1 . 1 61 61 ALA N N 15 117.2829219 0 . . . . . . . 61 ALA N . 51607 1 155 . 1 . 1 62 62 THR H H 1 6.943646358 0 . . . . . . . 62 THR H . 51607 1 156 . 1 . 1 62 62 THR C C 13 173.844318 0 . . . . . . . 62 THR C . 51607 1 157 . 1 . 1 62 62 THR CA C 13 61.85595755 0 . . . . . . . 62 THR CA . 51607 1 158 . 1 . 1 62 62 THR CB C 13 69.82440459 0 . . . . . . . 62 THR CB . 51607 1 159 . 1 . 1 62 62 THR N N 15 113.5483551 0 . . . . . . . 62 THR N . 51607 1 160 . 1 . 1 63 63 SER H H 1 7.97570894 0 . . . . . . . 63 SER H . 51607 1 161 . 1 . 1 63 63 SER C C 13 175.4134637 0 . . . . . . . 63 SER C . 51607 1 162 . 1 . 1 63 63 SER CA C 13 57.54954128 0 . . . . . . . 63 SER CA . 51607 1 163 . 1 . 1 63 63 SER CB C 13 65.4323013 0 . . . . . . . 63 SER CB . 51607 1 164 . 1 . 1 63 63 SER N N 15 115.2253965 0 . . . . . . . 63 SER N . 51607 1 165 . 1 . 1 64 64 ALA H H 1 8.916608142 0 . . . . . . . 64 ALA H . 51607 1 166 . 1 . 1 64 64 ALA C C 13 180.3860456 0 . . . . . . . 64 ALA C . 51607 1 167 . 1 . 1 64 64 ALA CA C 13 55.60148752 0 . . . . . . . 64 ALA CA . 51607 1 168 . 1 . 1 64 64 ALA CB C 13 18.31996485 0 . . . . . . . 64 ALA CB . 51607 1 169 . 1 . 1 64 64 ALA N N 15 123.8864195 0 . . . . . . . 64 ALA N . 51607 1 170 . 1 . 1 65 65 GLU H H 1 9.106042316 0 . . . . . . . 65 GLU H . 51607 1 171 . 1 . 1 65 65 GLU C C 13 179.2324612 0 . . . . . . . 65 GLU C . 51607 1 172 . 1 . 1 65 65 GLU CA C 13 60.22258616 0 . . . . . . . 65 GLU CA . 51607 1 173 . 1 . 1 65 65 GLU CB C 13 28.53227861 0 . . . . . . . 65 GLU CB . 51607 1 174 . 1 . 1 65 65 GLU N N 15 116.5405164 0 . . . . . . . 65 GLU N . 51607 1 175 . 1 . 1 66 66 VAL H H 1 7.166214351 0 . . . . . . . 66 VAL H . 51607 1 176 . 1 . 1 66 66 VAL C C 13 177.0911383 0 . . . . . . . 66 VAL C . 51607 1 177 . 1 . 1 66 66 VAL CA C 13 66.5573603 0 . . . . . . . 66 VAL CA . 51607 1 178 . 1 . 1 66 66 VAL CB C 13 30.64565921 0 . . . . . . . 66 VAL CB . 51607 1 179 . 1 . 1 66 66 VAL N N 15 120.3105587 0 . . . . . . . 66 VAL N . 51607 1 180 . 1 . 1 67 67 LYS H H 1 8.226957521 0 . . . . . . . 67 LYS H . 51607 1 181 . 1 . 1 67 67 LYS C C 13 179.6602688 0 . . . . . . . 67 LYS C . 51607 1 182 . 1 . 1 67 67 LYS CA C 13 60.80042207 0 . . . . . . . 67 LYS CA . 51607 1 183 . 1 . 1 67 67 LYS CB C 13 32.90168665 0 . . . . . . . 67 LYS CB . 51607 1 184 . 1 . 1 67 67 LYS N N 15 119.602861 0 . . . . . . . 67 LYS N . 51607 1 185 . 1 . 1 68 68 ALA H H 1 7.371479794 0 . . . . . . . 68 ALA H . 51607 1 186 . 1 . 1 68 68 ALA C C 13 180.0815356 0 . . . . . . . 68 ALA C . 51607 1 187 . 1 . 1 68 68 ALA CA C 13 54.59775789 0 . . . . . . . 68 ALA CA . 51607 1 188 . 1 . 1 68 68 ALA CB C 13 18.26239244 0 . . . . . . . 68 ALA CB . 51607 1 189 . 1 . 1 68 68 ALA N N 15 117.6767556 0 . . . . . . . 68 ALA N . 51607 1 190 . 1 . 1 69 69 LEU H H 1 7.226900257 0 . . . . . . . 69 LEU H . 51607 1 191 . 1 . 1 69 69 LEU C C 13 177.087925 0 . . . . . . . 69 LEU C . 51607 1 192 . 1 . 1 69 69 LEU CA C 13 56.65800203 0 . . . . . . . 69 LEU CA . 51607 1 193 . 1 . 1 69 69 LEU CB C 13 43.13929639 0 . . . . . . . 69 LEU CB . 51607 1 194 . 1 . 1 69 69 LEU N N 15 120.0928281 0 . . . . . . . 69 LEU N . 51607 1 195 . 1 . 1 72 72 ASP H H 1 7.504886307 0 . . . . . . . 72 ASP H . 51607 1 196 . 1 . 1 72 72 ASP C C 13 172.2219971 0 . . . . . . . 72 ASP C . 51607 1 197 . 1 . 1 72 72 ASP CA C 13 52.02996844 0 . . . . . . . 72 ASP CA . 51607 1 198 . 1 . 1 72 72 ASP CB C 13 41.16734327 0 . . . . . . . 72 ASP CB . 51607 1 199 . 1 . 1 72 72 ASP N N 15 115.7271372 0 . . . . . . . 72 ASP N . 51607 1 200 . 1 . 1 76 76 ALA H H 1 8.854223749 0 . . . . . . . 76 ALA H . 51607 1 201 . 1 . 1 76 76 ALA C C 13 180.9540214 0 . . . . . . . 76 ALA C . 51607 1 202 . 1 . 1 76 76 ALA CA C 13 55.40290124 0 . . . . . . . 76 ALA CA . 51607 1 203 . 1 . 1 76 76 ALA CB C 13 18.16476238 0 . . . . . . . 76 ALA CB . 51607 1 204 . 1 . 1 76 76 ALA N N 15 120.3322813 0 . . . . . . . 76 ALA N . 51607 1 205 . 1 . 1 77 77 GLY H H 1 7.17491688 0 . . . . . . . 77 GLY H . 51607 1 206 . 1 . 1 77 77 GLY C C 13 176.5153074 0 . . . . . . . 77 GLY C . 51607 1 207 . 1 . 1 77 77 GLY CA C 13 47.38336159 0 . . . . . . . 77 GLY CA . 51607 1 208 . 1 . 1 77 77 GLY N N 15 124.7138247 0 . . . . . . . 77 GLY N . 51607 1 209 . 1 . 1 78 78 LEU H H 1 8.207267677 0 . . . . . . . 78 LEU H . 51607 1 210 . 1 . 1 78 78 LEU C C 13 177.6123333 0 . . . . . . . 78 LEU C . 51607 1 211 . 1 . 1 78 78 LEU CA C 13 58.29984077 0 . . . . . . . 78 LEU CA . 51607 1 212 . 1 . 1 78 78 LEU CB C 13 41.55530878 0 . . . . . . . 78 LEU CB . 51607 1 213 . 1 . 1 78 78 LEU N N 15 124.0516168 0 . . . . . . . 78 LEU N . 51607 1 214 . 1 . 1 79 79 LYS H H 1 7.838178867 0 . . . . . . . 79 LYS H . 51607 1 215 . 1 . 1 79 79 LYS C C 13 179.6502456 0 . . . . . . . 79 LYS C . 51607 1 216 . 1 . 1 79 79 LYS CA C 13 59.34609926 0 . . . . . . . 79 LYS CA . 51607 1 217 . 1 . 1 79 79 LYS CB C 13 32.96322046 0 . . . . . . . 79 LYS CB . 51607 1 218 . 1 . 1 79 79 LYS N N 15 114.1994681 0 . . . . . . . 79 LYS N . 51607 1 219 . 1 . 1 80 80 LYS H H 1 7.818526679 0 . . . . . . . 80 LYS H . 51607 1 220 . 1 . 1 80 80 LYS C C 13 177.1637861 0 . . . . . . . 80 LYS C . 51607 1 221 . 1 . 1 80 80 LYS CA C 13 58.96093654 0 . . . . . . . 80 LYS CA . 51607 1 222 . 1 . 1 80 80 LYS CB C 13 33.21914711 0 . . . . . . . 80 LYS CB . 51607 1 223 . 1 . 1 80 80 LYS N N 15 118.7971797 0 . . . . . . . 80 LYS N . 51607 1 224 . 1 . 1 81 81 ASN H H 1 7.666808647 0 . . . . . . . 81 ASN H . 51607 1 225 . 1 . 1 81 81 ASN C C 13 174.8019015 0 . . . . . . . 81 ASN C . 51607 1 226 . 1 . 1 81 81 ASN CA C 13 52.37241295 0 . . . . . . . 81 ASN CA . 51607 1 227 . 1 . 1 81 81 ASN CB C 13 38.9152754 0 . . . . . . . 81 ASN CB . 51607 1 228 . 1 . 1 81 81 ASN N N 15 114.0514878 0 . . . . . . . 81 ASN N . 51607 1 229 . 1 . 1 82 82 SER H H 1 6.968923935 0 . . . . . . . 82 SER H . 51607 1 230 . 1 . 1 82 82 SER C C 13 176.5971078 0 . . . . . . . 82 SER C . 51607 1 231 . 1 . 1 82 82 SER CA C 13 63.28852348 0 . . . . . . . 82 SER CA . 51607 1 232 . 1 . 1 82 82 SER N N 15 115.2477499 0 . . . . . . . 82 SER N . 51607 1 233 . 1 . 1 83 83 ALA H H 1 8.29362424 0 . . . . . . . 83 ALA H . 51607 1 234 . 1 . 1 83 83 ALA C C 13 173.8237202 0 . . . . . . . 83 ALA C . 51607 1 235 . 1 . 1 83 83 ALA CA C 13 53.83177234 0 . . . . . . . 83 ALA CA . 51607 1 236 . 1 . 1 83 83 ALA CB C 13 32.54586265 0 . . . . . . . 83 ALA CB . 51607 1 237 . 1 . 1 83 83 ALA N N 15 122.9439356 0 . . . . . . . 83 ALA N . 51607 1 238 . 1 . 1 85 85 VAL H H 1 8.485897401 0 . . . . . . . 85 VAL H . 51607 1 239 . 1 . 1 85 85 VAL C C 13 176.9654016 0 . . . . . . . 85 VAL C . 51607 1 240 . 1 . 1 85 85 VAL CA C 13 67.15606655 0 . . . . . . . 85 VAL CA . 51607 1 241 . 1 . 1 85 85 VAL CB C 13 31.5899043 0 . . . . . . . 85 VAL CB . 51607 1 242 . 1 . 1 85 85 VAL N N 15 119.8003101 0 . . . . . . . 85 VAL N . 51607 1 243 . 1 . 1 86 86 GLN H H 1 8.420801698 0 . . . . . . . 86 GLN H . 51607 1 244 . 1 . 1 86 86 GLN C C 13 177.7666885 0 . . . . . . . 86 GLN C . 51607 1 245 . 1 . 1 86 86 GLN CA C 13 59.0765178 0 . . . . . . . 86 GLN CA . 51607 1 246 . 1 . 1 86 86 GLN CB C 13 28.10700507 0 . . . . . . . 86 GLN CB . 51607 1 247 . 1 . 1 86 86 GLN N N 15 120.1964721 0 . . . . . . . 86 GLN N . 51607 1 248 . 1 . 1 87 87 LYS H H 1 7.637102714 0 . . . . . . . 87 LYS H . 51607 1 249 . 1 . 1 87 87 LYS C C 13 178.8418447 0 . . . . . . . 87 LYS C . 51607 1 250 . 1 . 1 87 87 LYS CA C 13 59.06355558 0 . . . . . . . 87 LYS CA . 51607 1 251 . 1 . 1 87 87 LYS CB C 13 32.13562034 0 . . . . . . . 87 LYS CB . 51607 1 252 . 1 . 1 87 87 LYS N N 15 117.033603 0 . . . . . . . 87 LYS N . 51607 1 253 . 1 . 1 88 88 TYR H H 1 7.768285594 0 . . . . . . . 88 TYR H . 51607 1 254 . 1 . 1 88 88 TYR CA C 13 59.54748402 0 . . . . . . . 88 TYR CA . 51607 1 255 . 1 . 1 88 88 TYR CB C 13 38.59134458 0 . . . . . . . 88 TYR CB . 51607 1 256 . 1 . 1 88 88 TYR N N 15 120.263189 0 . . . . . . . 88 TYR N . 51607 1 257 . 1 . 1 89 89 LEU H H 1 8.740805166 0 . . . . . . . 89 LEU H . 51607 1 258 . 1 . 1 89 89 LEU C C 13 179.2283662 0 . . . . . . . 89 LEU C . 51607 1 259 . 1 . 1 89 89 LEU CA C 13 58.45210038 0 . . . . . . . 89 LEU CA . 51607 1 260 . 1 . 1 89 89 LEU CB C 13 41.31291895 0 . . . . . . . 89 LEU CB . 51607 1 261 . 1 . 1 89 89 LEU N N 15 118.6117904 0 . . . . . . . 89 LEU N . 51607 1 262 . 1 . 1 90 90 GLU H H 1 8.023680473 0 . . . . . . . 90 GLU H . 51607 1 263 . 1 . 1 90 90 GLU C C 13 180.2780681 0 . . . . . . . 90 GLU C . 51607 1 264 . 1 . 1 90 90 GLU CA C 13 59.71760626 0 . . . . . . . 90 GLU CA . 51607 1 265 . 1 . 1 90 90 GLU CB C 13 28.98607804 0 . . . . . . . 90 GLU CB . 51607 1 266 . 1 . 1 90 90 GLU N N 15 116.5082658 0 . . . . . . . 90 GLU N . 51607 1 267 . 1 . 1 91 91 GLU H H 1 7.896185353 0 . . . . . . . 91 GLU H . 51607 1 268 . 1 . 1 91 91 GLU C C 13 179.7692597 0 . . . . . . . 91 GLU C . 51607 1 269 . 1 . 1 91 91 GLU CA C 13 59.00720356 0 . . . . . . . 91 GLU CA . 51607 1 270 . 1 . 1 91 91 GLU CB C 13 28.75739346 0 . . . . . . . 91 GLU CB . 51607 1 271 . 1 . 1 91 91 GLU N N 15 121.8939994 0 . . . . . . . 91 GLU N . 51607 1 272 . 1 . 1 92 92 LEU H H 1 7.882661797 0 . . . . . . . 92 LEU H . 51607 1 273 . 1 . 1 92 92 LEU C C 13 179.3505091 0 . . . . . . . 92 LEU C . 51607 1 274 . 1 . 1 92 92 LEU CA C 13 57.05230431 0 . . . . . . . 92 LEU CA . 51607 1 275 . 1 . 1 92 92 LEU CB C 13 40.87718654 0 . . . . . . . 92 LEU CB . 51607 1 276 . 1 . 1 92 92 LEU N N 15 120.4401674 0 . . . . . . . 92 LEU N . 51607 1 277 . 1 . 1 93 93 VAL H H 1 8.063945962 0 . . . . . . . 93 VAL H . 51607 1 278 . 1 . 1 93 93 VAL C C 13 181.5607486 0 . . . . . . . 93 VAL C . 51607 1 279 . 1 . 1 93 93 VAL CB C 13 31.40719591 0 . . . . . . . 93 VAL CB . 51607 1 280 . 1 . 1 93 93 VAL N N 15 121.863954 0 . . . . . . . 93 VAL N . 51607 1 281 . 1 . 1 94 94 LYS H H 1 7.462707565 0 . . . . . . . 94 LYS H . 51607 1 282 . 1 . 1 94 94 LYS C C 13 178.5892317 0 . . . . . . . 94 LYS C . 51607 1 283 . 1 . 1 94 94 LYS CA C 13 59.68646074 0 . . . . . . . 94 LYS CA . 51607 1 284 . 1 . 1 94 94 LYS CB C 13 32.69983 0 . . . . . . . 94 LYS CB . 51607 1 285 . 1 . 1 94 94 LYS N N 15 120.6067874 0 . . . . . . . 94 LYS N . 51607 1 286 . 1 . 1 95 95 ILE H H 1 7.079426448 0 . . . . . . . 95 ILE H . 51607 1 287 . 1 . 1 95 95 ILE C C 13 173.7032381 0 . . . . . . . 95 ILE C . 51607 1 288 . 1 . 1 95 95 ILE CA C 13 61.19764534 0 . . . . . . . 95 ILE CA . 51607 1 289 . 1 . 1 95 95 ILE CB C 13 37.48096563 0 . . . . . . . 95 ILE CB . 51607 1 290 . 1 . 1 95 95 ILE N N 15 109.5900286 0 . . . . . . . 95 ILE N . 51607 1 291 . 1 . 1 96 96 GLU H H 1 8.027431298 0 . . . . . . . 96 GLU H . 51607 1 292 . 1 . 1 96 96 GLU C C 13 176.3869361 0 . . . . . . . 96 GLU C . 51607 1 293 . 1 . 1 96 96 GLU CA C 13 56.41746808 0 . . . . . . . 96 GLU CA . 51607 1 294 . 1 . 1 96 96 GLU CB C 13 26.41710867 0 . . . . . . . 96 GLU CB . 51607 1 295 . 1 . 1 96 96 GLU N N 15 115.3666805 0 . . . . . . . 96 GLU N . 51607 1 296 . 1 . 1 99 99 GLY H H 1 8.608427908 0 . . . . . . . 99 GLY H . 51607 1 297 . 1 . 1 99 99 GLY C C 13 175.0636175 0 . . . . . . . 99 GLY C . 51607 1 298 . 1 . 1 99 99 GLY CA C 13 46.1665469 0 . . . . . . . 99 GLY CA . 51607 1 299 . 1 . 1 99 99 GLY N N 15 128.7696698 0 . . . . . . . 99 GLY N . 51607 1 300 . 1 . 1 100 100 SER H H 1 8.24962339 0 . . . . . . . 100 SER H . 51607 1 301 . 1 . 1 100 100 SER C C 13 176.4771276 0 . . . . . . . 100 SER C . 51607 1 302 . 1 . 1 100 100 SER CA C 13 63.17183302 0 . . . . . . . 100 SER CA . 51607 1 303 . 1 . 1 100 100 SER N N 15 114.2653106 0 . . . . . . . 100 SER N . 51607 1 304 . 1 . 1 102 102 ALA H H 1 8.282428801 0 . . . . . . . 102 ALA H . 51607 1 305 . 1 . 1 102 102 ALA C C 13 181.5400915 0 . . . . . . . 102 ALA C . 51607 1 306 . 1 . 1 102 102 ALA CA C 13 55.04850712 0 . . . . . . . 102 ALA CA . 51607 1 307 . 1 . 1 102 102 ALA CB C 13 18.42266016 0 . . . . . . . 102 ALA CB . 51607 1 308 . 1 . 1 102 102 ALA N N 15 121.0655232 0 . . . . . . . 102 ALA N . 51607 1 309 . 1 . 1 103 103 VAL H H 1 7.691015283 0 . . . . . . . 103 VAL H . 51607 1 310 . 1 . 1 103 103 VAL C C 13 177.3454818 0 . . . . . . . 103 VAL C . 51607 1 311 . 1 . 1 103 103 VAL CA C 13 67.22060799 0 . . . . . . . 103 VAL CA . 51607 1 312 . 1 . 1 103 103 VAL CB C 13 31.43860977 0 . . . . . . . 103 VAL CB . 51607 1 313 . 1 . 1 103 103 VAL N N 15 117.160466 0 . . . . . . . 103 VAL N . 51607 1 314 . 1 . 1 104 104 SER H H 1 9.047333656 0 . . . . . . . 104 SER H . 51607 1 315 . 1 . 1 104 104 SER C C 13 177.7948018 0 . . . . . . . 104 SER C . 51607 1 316 . 1 . 1 104 104 SER CA C 13 61.635856 0 . . . . . . . 104 SER CA . 51607 1 317 . 1 . 1 104 104 SER CB C 13 63.30414027 0 . . . . . . . 104 SER CB . 51607 1 318 . 1 . 1 104 104 SER N N 15 117.0151182 0 . . . . . . . 104 SER N . 51607 1 319 . 1 . 1 106 106 ALA H H 1 7.707832804 0 . . . . . . . 106 ALA H . 51607 1 320 . 1 . 1 106 106 ALA C C 13 179.1473145 0 . . . . . . . 106 ALA C . 51607 1 321 . 1 . 1 106 106 ALA CA C 13 54.91408289 0 . . . . . . . 106 ALA CA . 51607 1 322 . 1 . 1 106 106 ALA CB C 13 17.82689728 0 . . . . . . . 106 ALA CB . 51607 1 323 . 1 . 1 106 106 ALA N N 15 121.9603536 0 . . . . . . . 106 ALA N . 51607 1 324 . 1 . 1 107 107 SER H H 1 8.905576868 0 . . . . . . . 107 SER H . 51607 1 325 . 1 . 1 107 107 SER C C 13 177.7071451 0 . . . . . . . 107 SER C . 51607 1 326 . 1 . 1 107 107 SER CA C 13 62.23657078 0 . . . . . . . 107 SER CA . 51607 1 327 . 1 . 1 107 107 SER N N 15 114.6964164 0 . . . . . . . 107 SER N . 51607 1 328 . 1 . 1 108 108 SER H H 1 8.294865557 0 . . . . . . . 108 SER H . 51607 1 329 . 1 . 1 108 108 SER C C 13 176.6357631 0 . . . . . . . 108 SER C . 51607 1 330 . 1 . 1 108 108 SER CA C 13 61.41480188 0 . . . . . . . 108 SER CA . 51607 1 331 . 1 . 1 108 108 SER CB C 13 62.96999097 0 . . . . . . . 108 SER CB . 51607 1 332 . 1 . 1 108 108 SER N N 15 116.8648153 0 . . . . . . . 108 SER N . 51607 1 333 . 1 . 1 109 109 SER H H 1 7.508103416 0 . . . . . . . 109 SER H . 51607 1 334 . 1 . 1 109 109 SER C C 13 175.6063939 0 . . . . . . . 109 SER C . 51607 1 335 . 1 . 1 109 109 SER CA C 13 61.40047751 0 . . . . . . . 109 SER CA . 51607 1 336 . 1 . 1 109 109 SER CB C 13 63.02622763 0 . . . . . . . 109 SER CB . 51607 1 337 . 1 . 1 109 109 SER N N 15 114.6842924 0 . . . . . . . 109 SER N . 51607 1 338 . 1 . 1 110 110 PHE H H 1 8.062678311 0 . . . . . . . 110 PHE H . 51607 1 339 . 1 . 1 110 110 PHE C C 13 175.7461157 0 . . . . . . . 110 PHE C . 51607 1 340 . 1 . 1 110 110 PHE CA C 13 58.1718541 0 . . . . . . . 110 PHE CA . 51607 1 341 . 1 . 1 110 110 PHE CB C 13 41.2138682 0 . . . . . . . 110 PHE CB . 51607 1 342 . 1 . 1 110 110 PHE N N 15 115.7582353 0 . . . . . . . 110 PHE N . 51607 1 343 . 1 . 1 111 111 GLY H H 1 8.031166566 0 . . . . . . . 111 GLY H . 51607 1 344 . 1 . 1 111 111 GLY C C 13 175.4024918 0 . . . . . . . 111 GLY C . 51607 1 345 . 1 . 1 111 111 GLY CA C 13 44.67070248 0 . . . . . . . 111 GLY CA . 51607 1 346 . 1 . 1 111 111 GLY N N 15 109.7087716 0 . . . . . . . 111 GLY N . 51607 1 347 . 1 . 1 114 114 TYR H H 1 7.664967192 0 . . . . . . . 114 TYR H . 51607 1 348 . 1 . 1 114 114 TYR C C 13 176.1324671 0 . . . . . . . 114 TYR C . 51607 1 349 . 1 . 1 114 114 TYR CA C 13 59.2541554 0 . . . . . . . 114 TYR CA . 51607 1 350 . 1 . 1 114 114 TYR CB C 13 38.62059688 0 . . . . . . . 114 TYR CB . 51607 1 351 . 1 . 1 114 114 TYR N N 15 118.2109036 0 . . . . . . . 114 TYR N . 51607 1 352 . 1 . 1 115 115 VAL H H 1 7.211554946 0 . . . . . . . 115 VAL H . 51607 1 353 . 1 . 1 115 115 VAL C C 13 174.3116626 0 . . . . . . . 115 VAL C . 51607 1 354 . 1 . 1 115 115 VAL CA C 13 58.95377751 0 . . . . . . . 115 VAL CA . 51607 1 355 . 1 . 1 115 115 VAL CB C 13 31.14976077 0 . . . . . . . 115 VAL CB . 51607 1 356 . 1 . 1 115 115 VAL N N 15 115.5011014 0 . . . . . . . 115 VAL N . 51607 1 357 . 1 . 1 116 116 ALA H H 1 7.33105059 0 . . . . . . . 116 ALA H . 51607 1 358 . 1 . 1 116 116 ALA C C 13 180.5601664 0 . . . . . . . 116 ALA C . 51607 1 359 . 1 . 1 116 116 ALA CA C 13 55.38769077 0 . . . . . . . 116 ALA CA . 51607 1 360 . 1 . 1 116 116 ALA CB C 13 19.24672423 0 . . . . . . . 116 ALA CB . 51607 1 361 . 1 . 1 116 116 ALA N N 15 122.0672058 0 . . . . . . . 116 ALA N . 51607 1 362 . 1 . 1 117 117 GLY H H 1 9.169844151 0 . . . . . . . 117 GLY H . 51607 1 363 . 1 . 1 117 117 GLY C C 13 175.9912574 0 . . . . . . . 117 GLY C . 51607 1 364 . 1 . 1 117 117 GLY CA C 13 48.25279799 0 . . . . . . . 117 GLY CA . 51607 1 365 . 1 . 1 117 117 GLY N N 15 127.7120902 0 . . . . . . . 117 GLY N . 51607 1 366 . 1 . 1 122 122 ILE H H 1 8.028824746 0 . . . . . . . 122 ILE H . 51607 1 367 . 1 . 1 122 122 ILE C C 13 178.138572 0 . . . . . . . 122 ILE C . 51607 1 368 . 1 . 1 122 122 ILE CA C 13 62.01484278 0 . . . . . . . 122 ILE CA . 51607 1 369 . 1 . 1 122 122 ILE CB C 13 35.59933246 0 . . . . . . . 122 ILE CB . 51607 1 370 . 1 . 1 122 122 ILE N N 15 118.9343412 0 . . . . . . . 122 ILE N . 51607 1 371 . 1 . 1 123 123 PHE H H 1 8.736544484 0 . . . . . . . 123 PHE H . 51607 1 372 . 1 . 1 123 123 PHE C C 13 178.3522605 0 . . . . . . . 123 PHE C . 51607 1 373 . 1 . 1 123 123 PHE CA C 13 58.14936357 0 . . . . . . . 123 PHE CA . 51607 1 374 . 1 . 1 123 123 PHE N N 15 120.6244127 0 . . . . . . . 123 PHE N . 51607 1 375 . 1 . 1 124 124 GLU H H 1 8.892534847 0 . . . . . . . 124 GLU H . 51607 1 376 . 1 . 1 124 124 GLU C C 13 180.4010329 0 . . . . . . . 124 GLU C . 51607 1 377 . 1 . 1 124 124 GLU CA C 13 59.77810856 0 . . . . . . . 124 GLU CA . 51607 1 378 . 1 . 1 124 124 GLU CB C 13 29.22316218 0 . . . . . . . 124 GLU CB . 51607 1 379 . 1 . 1 124 124 GLU N N 15 122.5642477 0 . . . . . . . 124 GLU N . 51607 1 380 . 1 . 1 125 125 LYS H H 1 8.049604403 0 . . . . . . . 125 LYS H . 51607 1 381 . 1 . 1 125 125 LYS C C 13 179.3833739 0 . . . . . . . 125 LYS C . 51607 1 382 . 1 . 1 125 125 LYS CA C 13 57.06741124 0 . . . . . . . 125 LYS CA . 51607 1 383 . 1 . 1 125 125 LYS CB C 13 31.64955185 0 . . . . . . . 125 LYS CB . 51607 1 384 . 1 . 1 125 125 LYS N N 15 118.2779871 0 . . . . . . . 125 LYS N . 51607 1 385 . 1 . 1 126 126 VAL H H 1 8.747918092 0 . . . . . . . 126 VAL H . 51607 1 386 . 1 . 1 126 126 VAL C C 13 178.719218 0 . . . . . . . 126 VAL C . 51607 1 387 . 1 . 1 126 126 VAL CA C 13 67.24294477 0 . . . . . . . 126 VAL CA . 51607 1 388 . 1 . 1 126 126 VAL CB C 13 32.04379374 0 . . . . . . . 126 VAL CB . 51607 1 389 . 1 . 1 126 126 VAL N N 15 120.3662797 0 . . . . . . . 126 VAL N . 51607 1 390 . 1 . 1 127 127 SER H H 1 8.142579661 0 . . . . . . . 127 SER H . 51607 1 391 . 1 . 1 127 127 SER C C 13 176.2861186 0 . . . . . . . 127 SER C . 51607 1 392 . 1 . 1 127 127 SER CA C 13 62.42316136 0 . . . . . . . 127 SER CA . 51607 1 393 . 1 . 1 127 127 SER CB C 13 63.23998866 0 . . . . . . . 127 SER CB . 51607 1 394 . 1 . 1 127 127 SER N N 15 112.272217 0 . . . . . . . 127 SER N . 51607 1 395 . 1 . 1 128 128 VAL H H 1 7.172733114 0 . . . . . . . 128 VAL H . 51607 1 396 . 1 . 1 128 128 VAL C C 13 177.3002481 0 . . . . . . . 128 VAL C . 51607 1 397 . 1 . 1 128 128 VAL CA C 13 64.71498279 0 . . . . . . . 128 VAL CA . 51607 1 398 . 1 . 1 128 128 VAL CB C 13 31.61557571 0 . . . . . . . 128 VAL CB . 51607 1 399 . 1 . 1 128 128 VAL N N 15 118.8670558 0 . . . . . . . 128 VAL N . 51607 1 400 . 1 . 1 129 129 PHE H H 1 7.893225303 0 . . . . . . . 129 PHE H . 51607 1 401 . 1 . 1 129 129 PHE C C 13 175.4552384 0 . . . . . . . 129 PHE C . 51607 1 402 . 1 . 1 129 129 PHE CA C 13 59.22395835 0 . . . . . . . 129 PHE CA . 51607 1 403 . 1 . 1 129 129 PHE CB C 13 40.07996917 0 . . . . . . . 129 PHE CB . 51607 1 404 . 1 . 1 129 129 PHE N N 15 116.2418729 0 . . . . . . . 129 PHE N . 51607 1 405 . 1 . 1 130 130 LEU H H 1 7.156031002 0 . . . . . . . 130 LEU H . 51607 1 406 . 1 . 1 130 130 LEU C C 13 174.5422504 0 . . . . . . . 130 LEU C . 51607 1 407 . 1 . 1 130 130 LEU CA C 13 52.59118057 0 . . . . . . . 130 LEU CA . 51607 1 408 . 1 . 1 130 130 LEU CB C 13 40.41665357 0 . . . . . . . 130 LEU CB . 51607 1 409 . 1 . 1 130 130 LEU N N 15 117.5032352 0 . . . . . . . 130 LEU N . 51607 1 410 . 1 . 1 133 133 GLU H H 1 8.600086755 0 . . . . . . . 133 GLU H . 51607 1 411 . 1 . 1 133 133 GLU C C 13 176.7609103 0 . . . . . . . 133 GLU C . 51607 1 412 . 1 . 1 133 133 GLU CA C 13 57.03933215 0 . . . . . . . 133 GLU CA . 51607 1 413 . 1 . 1 133 133 GLU CB C 13 30.20991234 0 . . . . . . . 133 GLU CB . 51607 1 414 . 1 . 1 133 133 GLU N N 15 121.0276782 0 . . . . . . . 133 GLU N . 51607 1 415 . 1 . 1 134 134 VAL H H 1 8.017507639 0 . . . . . . . 134 VAL H . 51607 1 416 . 1 . 1 134 134 VAL C C 13 176.4840773 0 . . . . . . . 134 VAL C . 51607 1 417 . 1 . 1 134 134 VAL CA C 13 61.6616375 0 . . . . . . . 134 VAL CA . 51607 1 418 . 1 . 1 134 134 VAL CB C 13 38.75918807 0 . . . . . . . 134 VAL CB . 51607 1 419 . 1 . 1 134 134 VAL N N 15 120.6912617 0 . . . . . . . 134 VAL N . 51607 1 420 . 1 . 1 135 135 LYS H H 1 8.287575792 0 . . . . . . . 135 LYS H . 51607 1 421 . 1 . 1 135 135 LYS C C 13 174.867198 0 . . . . . . . 135 LYS C . 51607 1 422 . 1 . 1 135 135 LYS CA C 13 56.82207667 0 . . . . . . . 135 LYS CA . 51607 1 423 . 1 . 1 135 135 LYS CB C 13 30.43450048 0 . . . . . . . 135 LYS CB . 51607 1 424 . 1 . 1 135 135 LYS N N 15 124.2836625 0 . . . . . . . 135 LYS N . 51607 1 425 . 1 . 1 136 136 THR H H 1 8.22692463 0 . . . . . . . 136 THR H . 51607 1 426 . 1 . 1 136 136 THR C C 13 174.5799194 0 . . . . . . . 136 THR C . 51607 1 427 . 1 . 1 136 136 THR CA C 13 62.34160297 0 . . . . . . . 136 THR CA . 51607 1 428 . 1 . 1 136 136 THR CB C 13 69.8182175 0 . . . . . . . 136 THR CB . 51607 1 429 . 1 . 1 136 136 THR N N 15 116.0244255 0 . . . . . . . 136 THR N . 51607 1 430 . 1 . 1 137 137 LYS H H 1 8.09832886 0 . . . . . . . 137 LYS H . 51607 1 431 . 1 . 1 137 137 LYS C C 13 175.8365938 0 . . . . . . . 137 LYS C . 51607 1 432 . 1 . 1 137 137 LYS CA C 13 61.35407218 0 . . . . . . . 137 LYS CA . 51607 1 433 . 1 . 1 137 137 LYS CB C 13 38.86507189 0 . . . . . . . 137 LYS CB . 51607 1 434 . 1 . 1 137 137 LYS N N 15 123.1848279 0 . . . . . . . 137 LYS N . 51607 1 435 . 1 . 1 138 138 GLU H H 1 8.287139245 0 . . . . . . . 138 GLU H . 51607 1 436 . 1 . 1 138 138 GLU C C 13 175.9540529 0 . . . . . . . 138 GLU C . 51607 1 437 . 1 . 1 138 138 GLU CA C 13 62.23017466 0 . . . . . . . 138 GLU CA . 51607 1 438 . 1 . 1 138 138 GLU CB C 13 32.91762581 0 . . . . . . . 138 GLU CB . 51607 1 439 . 1 . 1 138 138 GLU N N 15 125.5919948 0 . . . . . . . 138 GLU N . 51607 1 440 . 1 . 1 139 139 ILE H H 1 8.504652932 0 . . . . . . . 139 ILE H . 51607 1 441 . 1 . 1 139 139 ILE C C 13 174.582826 0 . . . . . . . 139 ILE C . 51607 1 442 . 1 . 1 139 139 ILE CA C 13 56.51948286 0 . . . . . . . 139 ILE CA . 51607 1 443 . 1 . 1 139 139 ILE CB C 13 30.5813818 0 . . . . . . . 139 ILE CB . 51607 1 444 . 1 . 1 139 139 ILE N N 15 125.4958573 0 . . . . . . . 139 ILE N . 51607 1 445 . 1 . 1 144 144 VAL H H 1 8.252429655 0 . . . . . . . 144 VAL H . 51607 1 446 . 1 . 1 144 144 VAL C C 13 175.9597291 0 . . . . . . . 144 VAL C . 51607 1 447 . 1 . 1 144 144 VAL CA C 13 62.49134391 0 . . . . . . . 144 VAL CA . 51607 1 448 . 1 . 1 144 144 VAL CB C 13 32.61903165 0 . . . . . . . 144 VAL CB . 51607 1 449 . 1 . 1 144 144 VAL N N 15 121.2660385 0 . . . . . . . 144 VAL N . 51607 1 450 . 1 . 1 145 145 LYS H H 1 8.441479981 0 . . . . . . . 145 LYS H . 51607 1 451 . 1 . 1 145 145 LYS CA C 13 55.8796683 0 . . . . . . . 145 LYS CA . 51607 1 452 . 1 . 1 145 145 LYS CB C 13 33.16190189 0 . . . . . . . 145 LYS CB . 51607 1 453 . 1 . 1 145 145 LYS N N 15 126.5992394 0 . . . . . . . 145 LYS N . 51607 1 454 . 1 . 1 146 146 ALA H H 1 8.373808202 0 . . . . . . . 146 ALA H . 51607 1 455 . 1 . 1 146 146 ALA C C 13 177.4090899 0 . . . . . . . 146 ALA C . 51607 1 456 . 1 . 1 146 146 ALA CA C 13 52.28201763 0 . . . . . . . 146 ALA CA . 51607 1 457 . 1 . 1 146 146 ALA CB C 13 19.37484562 0 . . . . . . . 146 ALA CB . 51607 1 458 . 1 . 1 146 146 ALA N N 15 126.394771 0 . . . . . . . 146 ALA N . 51607 1 459 . 1 . 1 147 147 GLU H H 1 8.382741769 0 . . . . . . . 147 GLU H . 51607 1 460 . 1 . 1 147 147 GLU C C 13 176.1813247 0 . . . . . . . 147 GLU C . 51607 1 461 . 1 . 1 147 147 GLU CA C 13 56.22983054 0 . . . . . . . 147 GLU CA . 51607 1 462 . 1 . 1 147 147 GLU CB C 13 30.62656817 0 . . . . . . . 147 GLU CB . 51607 1 463 . 1 . 1 147 147 GLU N N 15 120.6899317 0 . . . . . . . 147 GLU N . 51607 1 464 . 1 . 1 148 148 GLU H H 1 8.551802147 0 . . . . . . . 148 GLU H . 51607 1 465 . 1 . 1 148 148 GLU C C 13 176.5186911 0 . . . . . . . 148 GLU C . 51607 1 466 . 1 . 1 148 148 GLU CA C 13 56.71357361 0 . . . . . . . 148 GLU CA . 51607 1 467 . 1 . 1 148 148 GLU CB C 13 30.28473517 0 . . . . . . . 148 GLU CB . 51607 1 468 . 1 . 1 148 148 GLU N N 15 121.6025332 0 . . . . . . . 148 GLU N . 51607 1 469 . 1 . 1 149 149 PRO H H 1 8.130232527 0 . . . . . . . 149 PRO H . 51607 1 470 . 1 . 1 149 149 PRO C C 13 175.848984 0 . . . . . . . 149 PRO C . 51607 1 471 . 1 . 1 149 149 PRO CA C 13 62.1323232 0 . . . . . . . 149 PRO CA . 51607 1 472 . 1 . 1 149 149 PRO CB C 13 33.04227412 0 . . . . . . . 149 PRO CB . 51607 1 473 . 1 . 1 149 149 PRO N N 15 120.6660914 0 . . . . . . . 149 PRO N . 51607 1 474 . 1 . 1 150 150 ALA H H 1 8.426661481 0 . . . . . . . 150 ALA H . 51607 1 475 . 1 . 1 150 150 ALA C C 13 176.1455716 0 . . . . . . . 150 ALA C . 51607 1 476 . 1 . 1 150 150 ALA CA C 13 56.3835888 0 . . . . . . . 150 ALA CA . 51607 1 477 . 1 . 1 150 150 ALA CB C 13 30.61471802 0 . . . . . . . 150 ALA CB . 51607 1 478 . 1 . 1 150 150 ALA N N 15 125.0369366 0 . . . . . . . 150 ALA N . 51607 1 479 . 1 . 1 151 151 LYS H H 1 8.313709429 0 . . . . . . . 151 LYS H . 51607 1 480 . 1 . 1 151 151 LYS C C 13 172.6430963 0 . . . . . . . 151 LYS C . 51607 1 481 . 1 . 1 151 151 LYS CA C 13 59.75651827 0 . . . . . . . 151 LYS CA . 51607 1 482 . 1 . 1 151 151 LYS CB C 13 69.84500516 0 . . . . . . . 151 LYS CB . 51607 1 483 . 1 . 1 151 151 LYS N N 15 118.9125438 0 . . . . . . . 151 LYS N . 51607 1 484 . 1 . 1 154 154 GLU H H 1 8.466190204 0 . . . . . . . 154 GLU H . 51607 1 485 . 1 . 1 154 154 GLU C C 13 176.7622432 0 . . . . . . . 154 GLU C . 51607 1 486 . 1 . 1 154 154 GLU CA C 13 56.25482515 0 . . . . . . . 154 GLU CA . 51607 1 487 . 1 . 1 154 154 GLU CB C 13 33.1763649 0 . . . . . . . 154 GLU CB . 51607 1 488 . 1 . 1 154 154 GLU N N 15 121.4293005 0 . . . . . . . 154 GLU N . 51607 1 489 . 1 . 1 155 155 PRO H H 1 8.187699894 0 . . . . . . . 155 PRO H . 51607 1 490 . 1 . 1 155 155 PRO C C 13 174.2724997 0 . . . . . . . 155 PRO C . 51607 1 491 . 1 . 1 155 155 PRO CA C 13 61.80168113 0 . . . . . . . 155 PRO CA . 51607 1 492 . 1 . 1 155 155 PRO CB C 13 69.87534123 0 . . . . . . . 155 PRO CB . 51607 1 493 . 1 . 1 155 155 PRO N N 15 115.8223746 0 . . . . . . . 155 PRO N . 51607 1 494 . 1 . 1 156 156 ALA H H 1 8.425685348 0 . . . . . . . 156 ALA H . 51607 1 495 . 1 . 1 156 156 ALA C C 13 176.0143235 0 . . . . . . . 156 ALA C . 51607 1 496 . 1 . 1 156 156 ALA CA C 13 56.21125967 0 . . . . . . . 156 ALA CA . 51607 1 497 . 1 . 1 156 156 ALA CB C 13 30.51576551 0 . . . . . . . 156 ALA CB . 51607 1 498 . 1 . 1 156 156 ALA N N 15 123.2974403 0 . . . . . . . 156 ALA N . 51607 1 499 . 1 . 1 157 157 LYS H H 1 8.30118997 0 . . . . . . . 157 LYS H . 51607 1 500 . 1 . 1 157 157 LYS C C 13 176.0778228 0 . . . . . . . 157 LYS C . 51607 1 501 . 1 . 1 157 157 LYS CA C 13 60.86998243 0 . . . . . . . 157 LYS CA . 51607 1 502 . 1 . 1 157 157 LYS CB C 13 38.59292085 0 . . . . . . . 157 LYS CB . 51607 1 503 . 1 . 1 157 157 LYS N N 15 123.5817054 0 . . . . . . . 157 LYS N . 51607 1 504 . 1 . 1 158 158 THR H H 1 8.183418251 0 . . . . . . . 158 THR H . 51607 1 505 . 1 . 1 158 158 THR C C 13 174.579072 0 . . . . . . . 158 THR C . 51607 1 506 . 1 . 1 158 158 THR CA C 13 61.7935851 0 . . . . . . . 158 THR CA . 51607 1 507 . 1 . 1 158 158 THR CB C 13 69.8987378 0 . . . . . . . 158 THR CB . 51607 1 508 . 1 . 1 158 158 THR N N 15 115.3660192 0 . . . . . . . 158 THR N . 51607 1 509 . 1 . 1 159 159 GLU H H 1 8.504889115 0 . . . . . . . 159 GLU H . 51607 1 510 . 1 . 1 159 159 GLU C C 13 176.8899825 0 . . . . . . . 159 GLU C . 51607 1 511 . 1 . 1 159 159 GLU CA C 13 56.78886833 0 . . . . . . . 159 GLU CA . 51607 1 512 . 1 . 1 159 159 GLU CB C 13 30.48471469 0 . . . . . . . 159 GLU CB . 51607 1 513 . 1 . 1 159 159 GLU N N 15 123.5755644 0 . . . . . . . 159 GLU N . 51607 1 514 . 1 . 1 160 160 GLY H H 1 8.494421118 0 . . . . . . . 160 GLY H . 51607 1 515 . 1 . 1 160 160 GLY C C 13 174.4317313 0 . . . . . . . 160 GLY C . 51607 1 516 . 1 . 1 160 160 GLY CA C 13 45.39725493 0 . . . . . . . 160 GLY CA . 51607 1 517 . 1 . 1 160 160 GLY N N 15 110.1737529 0 . . . . . . . 160 GLY N . 51607 1 518 . 1 . 1 161 161 THR H H 1 8.116686562 0 . . . . . . . 161 THR H . 51607 1 519 . 1 . 1 161 161 THR C C 13 174.8683509 0 . . . . . . . 161 THR C . 51607 1 520 . 1 . 1 161 161 THR CA C 13 61.66669154 0 . . . . . . . 161 THR CA . 51607 1 521 . 1 . 1 161 161 THR CB C 13 69.96871686 0 . . . . . . . 161 THR CB . 51607 1 522 . 1 . 1 161 161 THR N N 15 113.1825246 0 . . . . . . . 161 THR N . 51607 1 523 . 1 . 1 163 163 GLY H H 1 8.440789231 0 . . . . . . . 163 GLY H . 51607 1 524 . 1 . 1 163 163 GLY C C 13 174.0927871 0 . . . . . . . 163 GLY C . 51607 1 525 . 1 . 1 163 163 GLY CA C 13 45.33563469 0 . . . . . . . 163 GLY CA . 51607 1 526 . 1 . 1 163 163 GLY N N 15 110.9544128 0 . . . . . . . 163 GLY N . 51607 1 527 . 1 . 1 164 164 GLU H H 1 8.286923349 0 . . . . . . . 164 GLU H . 51607 1 528 . 1 . 1 164 164 GLU C C 13 176.4886413 0 . . . . . . . 164 GLU C . 51607 1 529 . 1 . 1 164 164 GLU CA C 13 56.59819271 0 . . . . . . . 164 GLU CA . 51607 1 530 . 1 . 1 164 164 GLU N N 15 120.6768315 0 . . . . . . . 164 GLU N . 51607 1 531 . 1 . 1 165 165 LYS H H 1 8.369450226 0 . . . . . . . 165 LYS H . 51607 1 532 . 1 . 1 165 165 LYS CA C 13 56.31600582 0 . . . . . . . 165 LYS CA . 51607 1 533 . 1 . 1 165 165 LYS CB C 13 33.20429232 0 . . . . . . . 165 LYS CB . 51607 1 534 . 1 . 1 165 165 LYS N N 15 122.1218349 0 . . . . . . . 165 LYS N . 51607 1 535 . 1 . 1 175 175 GLY H H 1 8.42391902 0 . . . . . . . 175 GLY H . 51607 1 536 . 1 . 1 175 175 GLY C C 13 173.9313248 0 . . . . . . . 175 GLY C . 51607 1 537 . 1 . 1 175 175 GLY CA C 13 45.20934181 0 . . . . . . . 175 GLY CA . 51607 1 538 . 1 . 1 175 175 GLY N N 15 110.2472933 0 . . . . . . . 175 GLY N . 51607 1 539 . 1 . 1 176 176 GLU H H 1 8.269023372 0 . . . . . . . 176 GLU H . 51607 1 540 . 1 . 1 176 176 GLU C C 13 176.5056228 0 . . . . . . . 176 GLU C . 51607 1 541 . 1 . 1 176 176 GLU CA C 13 56.43144994 0 . . . . . . . 176 GLU CA . 51607 1 542 . 1 . 1 176 176 GLU CB C 13 30.5864258 0 . . . . . . . 176 GLU CB . 51607 1 543 . 1 . 1 176 176 GLU N N 15 120.4282565 0 . . . . . . . 176 GLU N . 51607 1 544 . 1 . 1 177 177 THR H H 1 8.288137407 0 . . . . . . . 177 THR H . 51607 1 545 . 1 . 1 177 177 THR C C 13 172.8894454 0 . . . . . . . 177 THR C . 51607 1 546 . 1 . 1 177 177 THR CA C 13 59.66015521 0 . . . . . . . 177 THR CA . 51607 1 547 . 1 . 1 177 177 THR CB C 13 69.81865302 0 . . . . . . . 177 THR CB . 51607 1 548 . 1 . 1 177 177 THR N N 15 117.411439 0 . . . . . . . 177 THR N . 51607 1 549 . 1 . 1 193 193 LYS H H 1 8.330573393 0 . . . . . . . 193 LYS H . 51607 1 550 . 1 . 1 193 193 LYS C C 13 177.6608483 0 . . . . . . . 193 LYS C . 51607 1 551 . 1 . 1 193 193 LYS CA C 13 52.31006481 0 . . . . . . . 193 LYS CA . 51607 1 552 . 1 . 1 193 193 LYS CB C 13 19.26046911 0 . . . . . . . 193 LYS CB . 51607 1 553 . 1 . 1 193 193 LYS N N 15 124.5707168 0 . . . . . . . 193 LYS N . 51607 1 554 . 1 . 1 194 194 LYS H H 1 8.157755637 0 . . . . . . . 194 LYS H . 51607 1 555 . 1 . 1 194 194 LYS C C 13 175.9895958 0 . . . . . . . 194 LYS C . 51607 1 556 . 1 . 1 194 194 LYS CA C 13 62.24456017 0 . . . . . . . 194 LYS CA . 51607 1 557 . 1 . 1 194 194 LYS CB C 13 32.91547611 0 . . . . . . . 194 LYS CB . 51607 1 558 . 1 . 1 194 194 LYS N N 15 120.442441 0 . . . . . . . 194 LYS N . 51607 1 559 . 1 . 1 195 195 GLU H H 1 8.258242872 0 . . . . . . . 195 GLU H . 51607 1 560 . 1 . 1 195 195 GLU C C 13 175.8162983 0 . . . . . . . 195 GLU C . 51607 1 561 . 1 . 1 195 195 GLU N N 15 125.1547114 0 . . . . . . . 195 GLU N . 51607 1 562 . 1 . 1 196 196 GLU H H 1 8.465446281 0 . . . . . . . 196 GLU H . 51607 1 563 . 1 . 1 196 196 GLU C C 13 175.9992486 0 . . . . . . . 196 GLU C . 51607 1 564 . 1 . 1 196 196 GLU CA C 13 56.26475554 0 . . . . . . . 196 GLU CA . 51607 1 565 . 1 . 1 196 196 GLU CB C 13 30.70851574 0 . . . . . . . 196 GLU CB . 51607 1 566 . 1 . 1 196 196 GLU N N 15 125.7130572 0 . . . . . . . 196 GLU N . 51607 1 567 . 1 . 1 197 197 ALA H H 1 8.381558492 0 . . . . . . . 197 ALA H . 51607 1 568 . 1 . 1 197 197 ALA C C 13 177.5590663 0 . . . . . . . 197 ALA C . 51607 1 569 . 1 . 1 197 197 ALA CA C 13 52.28654682 0 . . . . . . . 197 ALA CA . 51607 1 570 . 1 . 1 197 197 ALA CB C 13 19.339711 0 . . . . . . . 197 ALA CB . 51607 1 571 . 1 . 1 197 197 ALA N N 15 125.7045643 0 . . . . . . . 197 ALA N . 51607 1 572 . 1 . 1 198 198 THR H H 1 8.241390127 0 . . . . . . . 198 THR H . 51607 1 573 . 1 . 1 198 198 THR C C 13 172.7646161 0 . . . . . . . 198 THR C . 51607 1 574 . 1 . 1 198 198 THR CA C 13 59.8661257 0 . . . . . . . 198 THR CA . 51607 1 575 . 1 . 1 198 198 THR CB C 13 69.85192172 0 . . . . . . . 198 THR CB . 51607 1 576 . 1 . 1 198 198 THR N N 15 116.9876232 0 . . . . . . . 198 THR N . 51607 1 stop_ save_