data_50276 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50276 _Entry.Title ; Backbone Assignments for human BCL-XL(1-212) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-05-15 _Entry.Accession_date 2020-05-15 _Entry.Last_release_date 2020-05-18 _Entry.Original_release_date 2020-05-18 _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 Pavel Ryzhov . . . . 50276 2 Yong Yao . . . . 50276 3 Francesca Marassi . . . . 50276 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50276 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 293 50276 '15N chemical shifts' 179 50276 '1H chemical shifts' 179 50276 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2021-05-14 2020-05-15 update BMRB 'update entry citation' 50276 1 . . 2020-09-18 2020-05-15 original author 'original release' 50276 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50276 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32888404 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Conformational States of the Cytoprotective Protein Bcl-xL ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biophys. J.' _Citation.Journal_name_full . _Citation.Journal_volume 119 _Citation.Journal_issue 7 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1542-0086 _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 1324 _Citation.Page_last 1334 _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 Pavel Ryzhov P. . . . 50276 1 2 Ye Tian Y. . . . 50276 1 3 Yong Yao Y. . . . 50276 1 4 Andrey Bobkov A. A. . . 50276 1 5 Wonpil Im W. . . . 50276 1 6 Francesca Marassi F. M. . . 50276 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50276 _Assembly.ID 1 _Assembly.Name BCL-XL _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 BCL-XL 1 $entity_1 . . yes native no no . . . 50276 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50276 _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 ; MSQSNRELVVDFLSYKLSQK GYSWSQFSDVEENRTEAPEG TESEMETPSAINGNPSWHLA DSPAVNGATGHSSSLDAREV IPMAAVKQALREAGDEFELR YRRAFSDLTSQLHITPGTAY QSFEQVVNELFRDGVNWGRI VAFFSFGGALCVESVDKEMQ VLVSRIAAWMATYLNDHLEP WIQENGGWDTFVELYGNNAA AESRKGQERFNRWFLTGMTV AGVVLLGSLFSRK ; _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 233 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _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 . 50276 1 2 . SER . 50276 1 3 . GLN . 50276 1 4 . SER . 50276 1 5 . ASN . 50276 1 6 . ARG . 50276 1 7 . GLU . 50276 1 8 . LEU . 50276 1 9 . VAL . 50276 1 10 . VAL . 50276 1 11 . ASP . 50276 1 12 . PHE . 50276 1 13 . LEU . 50276 1 14 . SER . 50276 1 15 . TYR . 50276 1 16 . LYS . 50276 1 17 . LEU . 50276 1 18 . SER . 50276 1 19 . GLN . 50276 1 20 . LYS . 50276 1 21 . GLY . 50276 1 22 . TYR . 50276 1 23 . SER . 50276 1 24 . TRP . 50276 1 25 . SER . 50276 1 26 . GLN . 50276 1 27 . PHE . 50276 1 28 . SER . 50276 1 29 . ASP . 50276 1 30 . VAL . 50276 1 31 . GLU . 50276 1 32 . GLU . 50276 1 33 . ASN . 50276 1 34 . ARG . 50276 1 35 . THR . 50276 1 36 . GLU . 50276 1 37 . ALA . 50276 1 38 . PRO . 50276 1 39 . GLU . 50276 1 40 . GLY . 50276 1 41 . THR . 50276 1 42 . GLU . 50276 1 43 . SER . 50276 1 44 . GLU . 50276 1 45 . MET . 50276 1 46 . GLU . 50276 1 47 . THR . 50276 1 48 . PRO . 50276 1 49 . SER . 50276 1 50 . ALA . 50276 1 51 . ILE . 50276 1 52 . ASN . 50276 1 53 . GLY . 50276 1 54 . ASN . 50276 1 55 . PRO . 50276 1 56 . SER . 50276 1 57 . TRP . 50276 1 58 . HIS . 50276 1 59 . LEU . 50276 1 60 . ALA . 50276 1 61 . ASP . 50276 1 62 . SER . 50276 1 63 . PRO . 50276 1 64 . ALA . 50276 1 65 . VAL . 50276 1 66 . ASN . 50276 1 67 . GLY . 50276 1 68 . ALA . 50276 1 69 . THR . 50276 1 70 . GLY . 50276 1 71 . HIS . 50276 1 72 . SER . 50276 1 73 . SER . 50276 1 74 . SER . 50276 1 75 . LEU . 50276 1 76 . ASP . 50276 1 77 . ALA . 50276 1 78 . ARG . 50276 1 79 . GLU . 50276 1 80 . VAL . 50276 1 81 . ILE . 50276 1 82 . PRO . 50276 1 83 . MET . 50276 1 84 . ALA . 50276 1 85 . ALA . 50276 1 86 . VAL . 50276 1 87 . LYS . 50276 1 88 . GLN . 50276 1 89 . ALA . 50276 1 90 . LEU . 50276 1 91 . ARG . 50276 1 92 . GLU . 50276 1 93 . ALA . 50276 1 94 . GLY . 50276 1 95 . ASP . 50276 1 96 . GLU . 50276 1 97 . PHE . 50276 1 98 . GLU . 50276 1 99 . LEU . 50276 1 100 . ARG . 50276 1 101 . TYR . 50276 1 102 . ARG . 50276 1 103 . ARG . 50276 1 104 . ALA . 50276 1 105 . PHE . 50276 1 106 . SER . 50276 1 107 . ASP . 50276 1 108 . LEU . 50276 1 109 . THR . 50276 1 110 . SER . 50276 1 111 . GLN . 50276 1 112 . LEU . 50276 1 113 . HIS . 50276 1 114 . ILE . 50276 1 115 . THR . 50276 1 116 . PRO . 50276 1 117 . GLY . 50276 1 118 . THR . 50276 1 119 . ALA . 50276 1 120 . TYR . 50276 1 121 . GLN . 50276 1 122 . SER . 50276 1 123 . PHE . 50276 1 124 . GLU . 50276 1 125 . GLN . 50276 1 126 . VAL . 50276 1 127 . VAL . 50276 1 128 . ASN . 50276 1 129 . GLU . 50276 1 130 . LEU . 50276 1 131 . PHE . 50276 1 132 . ARG . 50276 1 133 . ASP . 50276 1 134 . GLY . 50276 1 135 . VAL . 50276 1 136 . ASN . 50276 1 137 . TRP . 50276 1 138 . GLY . 50276 1 139 . ARG . 50276 1 140 . ILE . 50276 1 141 . VAL . 50276 1 142 . ALA . 50276 1 143 . PHE . 50276 1 144 . PHE . 50276 1 145 . SER . 50276 1 146 . PHE . 50276 1 147 . GLY . 50276 1 148 . GLY . 50276 1 149 . ALA . 50276 1 150 . LEU . 50276 1 151 . CYS . 50276 1 152 . VAL . 50276 1 153 . GLU . 50276 1 154 . SER . 50276 1 155 . VAL . 50276 1 156 . ASP . 50276 1 157 . LYS . 50276 1 158 . GLU . 50276 1 159 . MET . 50276 1 160 . GLN . 50276 1 161 . VAL . 50276 1 162 . LEU . 50276 1 163 . VAL . 50276 1 164 . SER . 50276 1 165 . ARG . 50276 1 166 . ILE . 50276 1 167 . ALA . 50276 1 168 . ALA . 50276 1 169 . TRP . 50276 1 170 . MET . 50276 1 171 . ALA . 50276 1 172 . THR . 50276 1 173 . TYR . 50276 1 174 . LEU . 50276 1 175 . ASN . 50276 1 176 . ASP . 50276 1 177 . HIS . 50276 1 178 . LEU . 50276 1 179 . GLU . 50276 1 180 . PRO . 50276 1 181 . TRP . 50276 1 182 . ILE . 50276 1 183 . GLN . 50276 1 184 . GLU . 50276 1 185 . ASN . 50276 1 186 . GLY . 50276 1 187 . GLY . 50276 1 188 . TRP . 50276 1 189 . ASP . 50276 1 190 . THR . 50276 1 191 . PHE . 50276 1 192 . VAL . 50276 1 193 . GLU . 50276 1 194 . LEU . 50276 1 195 . TYR . 50276 1 196 . GLY . 50276 1 197 . ASN . 50276 1 198 . ASN . 50276 1 199 . ALA . 50276 1 200 . ALA . 50276 1 201 . ALA . 50276 1 202 . GLU . 50276 1 203 . SER . 50276 1 204 . ARG . 50276 1 205 . LYS . 50276 1 206 . GLY . 50276 1 207 . GLN . 50276 1 208 . GLU . 50276 1 209 . ARG . 50276 1 210 . PHE . 50276 1 211 . ASN . 50276 1 212 . ARG . 50276 1 213 . TRP . 50276 1 214 . PHE . 50276 1 215 . LEU . 50276 1 216 . THR . 50276 1 217 . GLY . 50276 1 218 . MET . 50276 1 219 . THR . 50276 1 220 . VAL . 50276 1 221 . ALA . 50276 1 222 . GLY . 50276 1 223 . VAL . 50276 1 224 . VAL . 50276 1 225 . LEU . 50276 1 226 . LEU . 50276 1 227 . GLY . 50276 1 228 . SER . 50276 1 229 . LEU . 50276 1 230 . PHE . 50276 1 231 . SER . 50276 1 232 . ARG . 50276 1 233 . LYS . 50276 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 50276 1 . SER 2 2 50276 1 . GLN 3 3 50276 1 . SER 4 4 50276 1 . ASN 5 5 50276 1 . ARG 6 6 50276 1 . GLU 7 7 50276 1 . LEU 8 8 50276 1 . VAL 9 9 50276 1 . VAL 10 10 50276 1 . ASP 11 11 50276 1 . PHE 12 12 50276 1 . LEU 13 13 50276 1 . SER 14 14 50276 1 . TYR 15 15 50276 1 . LYS 16 16 50276 1 . LEU 17 17 50276 1 . SER 18 18 50276 1 . GLN 19 19 50276 1 . LYS 20 20 50276 1 . GLY 21 21 50276 1 . TYR 22 22 50276 1 . SER 23 23 50276 1 . TRP 24 24 50276 1 . SER 25 25 50276 1 . GLN 26 26 50276 1 . PHE 27 27 50276 1 . SER 28 28 50276 1 . ASP 29 29 50276 1 . VAL 30 30 50276 1 . GLU 31 31 50276 1 . GLU 32 32 50276 1 . ASN 33 33 50276 1 . ARG 34 34 50276 1 . THR 35 35 50276 1 . GLU 36 36 50276 1 . ALA 37 37 50276 1 . PRO 38 38 50276 1 . GLU 39 39 50276 1 . GLY 40 40 50276 1 . THR 41 41 50276 1 . GLU 42 42 50276 1 . SER 43 43 50276 1 . GLU 44 44 50276 1 . MET 45 45 50276 1 . GLU 46 46 50276 1 . THR 47 47 50276 1 . PRO 48 48 50276 1 . SER 49 49 50276 1 . ALA 50 50 50276 1 . ILE 51 51 50276 1 . ASN 52 52 50276 1 . GLY 53 53 50276 1 . ASN 54 54 50276 1 . PRO 55 55 50276 1 . SER 56 56 50276 1 . TRP 57 57 50276 1 . HIS 58 58 50276 1 . LEU 59 59 50276 1 . ALA 60 60 50276 1 . ASP 61 61 50276 1 . SER 62 62 50276 1 . PRO 63 63 50276 1 . ALA 64 64 50276 1 . VAL 65 65 50276 1 . ASN 66 66 50276 1 . GLY 67 67 50276 1 . ALA 68 68 50276 1 . THR 69 69 50276 1 . GLY 70 70 50276 1 . HIS 71 71 50276 1 . SER 72 72 50276 1 . SER 73 73 50276 1 . SER 74 74 50276 1 . LEU 75 75 50276 1 . ASP 76 76 50276 1 . ALA 77 77 50276 1 . ARG 78 78 50276 1 . GLU 79 79 50276 1 . VAL 80 80 50276 1 . ILE 81 81 50276 1 . PRO 82 82 50276 1 . MET 83 83 50276 1 . ALA 84 84 50276 1 . ALA 85 85 50276 1 . VAL 86 86 50276 1 . LYS 87 87 50276 1 . GLN 88 88 50276 1 . ALA 89 89 50276 1 . LEU 90 90 50276 1 . ARG 91 91 50276 1 . GLU 92 92 50276 1 . ALA 93 93 50276 1 . GLY 94 94 50276 1 . ASP 95 95 50276 1 . GLU 96 96 50276 1 . PHE 97 97 50276 1 . GLU 98 98 50276 1 . LEU 99 99 50276 1 . ARG 100 100 50276 1 . TYR 101 101 50276 1 . ARG 102 102 50276 1 . ARG 103 103 50276 1 . ALA 104 104 50276 1 . PHE 105 105 50276 1 . SER 106 106 50276 1 . ASP 107 107 50276 1 . LEU 108 108 50276 1 . THR 109 109 50276 1 . SER 110 110 50276 1 . GLN 111 111 50276 1 . LEU 112 112 50276 1 . HIS 113 113 50276 1 . ILE 114 114 50276 1 . THR 115 115 50276 1 . PRO 116 116 50276 1 . GLY 117 117 50276 1 . THR 118 118 50276 1 . ALA 119 119 50276 1 . TYR 120 120 50276 1 . GLN 121 121 50276 1 . SER 122 122 50276 1 . PHE 123 123 50276 1 . GLU 124 124 50276 1 . GLN 125 125 50276 1 . VAL 126 126 50276 1 . VAL 127 127 50276 1 . ASN 128 128 50276 1 . GLU 129 129 50276 1 . LEU 130 130 50276 1 . PHE 131 131 50276 1 . ARG 132 132 50276 1 . ASP 133 133 50276 1 . GLY 134 134 50276 1 . VAL 135 135 50276 1 . ASN 136 136 50276 1 . TRP 137 137 50276 1 . GLY 138 138 50276 1 . ARG 139 139 50276 1 . ILE 140 140 50276 1 . VAL 141 141 50276 1 . ALA 142 142 50276 1 . PHE 143 143 50276 1 . PHE 144 144 50276 1 . SER 145 145 50276 1 . PHE 146 146 50276 1 . GLY 147 147 50276 1 . GLY 148 148 50276 1 . ALA 149 149 50276 1 . LEU 150 150 50276 1 . CYS 151 151 50276 1 . VAL 152 152 50276 1 . GLU 153 153 50276 1 . SER 154 154 50276 1 . VAL 155 155 50276 1 . ASP 156 156 50276 1 . LYS 157 157 50276 1 . GLU 158 158 50276 1 . MET 159 159 50276 1 . GLN 160 160 50276 1 . VAL 161 161 50276 1 . LEU 162 162 50276 1 . VAL 163 163 50276 1 . SER 164 164 50276 1 . ARG 165 165 50276 1 . ILE 166 166 50276 1 . ALA 167 167 50276 1 . ALA 168 168 50276 1 . TRP 169 169 50276 1 . MET 170 170 50276 1 . ALA 171 171 50276 1 . THR 172 172 50276 1 . TYR 173 173 50276 1 . LEU 174 174 50276 1 . ASN 175 175 50276 1 . ASP 176 176 50276 1 . HIS 177 177 50276 1 . LEU 178 178 50276 1 . GLU 179 179 50276 1 . PRO 180 180 50276 1 . TRP 181 181 50276 1 . ILE 182 182 50276 1 . GLN 183 183 50276 1 . GLU 184 184 50276 1 . ASN 185 185 50276 1 . GLY 186 186 50276 1 . GLY 187 187 50276 1 . TRP 188 188 50276 1 . ASP 189 189 50276 1 . THR 190 190 50276 1 . PHE 191 191 50276 1 . VAL 192 192 50276 1 . GLU 193 193 50276 1 . LEU 194 194 50276 1 . TYR 195 195 50276 1 . GLY 196 196 50276 1 . ASN 197 197 50276 1 . ASN 198 198 50276 1 . ALA 199 199 50276 1 . ALA 200 200 50276 1 . ALA 201 201 50276 1 . GLU 202 202 50276 1 . SER 203 203 50276 1 . ARG 204 204 50276 1 . LYS 205 205 50276 1 . GLY 206 206 50276 1 . GLN 207 207 50276 1 . GLU 208 208 50276 1 . ARG 209 209 50276 1 . PHE 210 210 50276 1 . ASN 211 211 50276 1 . ARG 212 212 50276 1 . TRP 213 213 50276 1 . PHE 214 214 50276 1 . LEU 215 215 50276 1 . THR 216 216 50276 1 . GLY 217 217 50276 1 . MET 218 218 50276 1 . THR 219 219 50276 1 . VAL 220 220 50276 1 . ALA 221 221 50276 1 . GLY 222 222 50276 1 . VAL 223 223 50276 1 . VAL 224 224 50276 1 . LEU 225 225 50276 1 . LEU 226 226 50276 1 . GLY 227 227 50276 1 . SER 228 228 50276 1 . LEU 229 229 50276 1 . PHE 230 230 50276 1 . SER 231 231 50276 1 . ARG 232 232 50276 1 . LYS 233 233 50276 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 50276 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 50276 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 50276 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . PET21b . . . 50276 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50276 _Sample.ID 1 _Sample.Name bcl-xl _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 BCL-XL '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 50276 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 50276 1 3 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 50276 1 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 50276 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 50276 _Sample_condition_list.ID 1 _Sample_condition_list.Name BCL-XL _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' 0.025 . M 50276 1 pH 6.5 . pH 50276 1 pressure 1 . atm 50276 1 temperature 298 . K 50276 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50276 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 50276 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50276 _Software.ID 2 _Software.Type . _Software.Name NMRViewJ _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 50276 2 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 50276 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'AVANCE 600' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50276 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50276 1 2 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50276 1 3 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50276 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 50276 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DSS _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 external indirect . . . . . . 50276 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . 50276 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect . . . . . . 50276 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 50276 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name BCL-XL _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 50276 1 2 '3D HNCA' . . . 50276 1 3 '3D HNCACB' . . . 50276 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 . . 50276 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 6 6 ARG H H 1 7.807 0.000 . 1 . . . . . 6 ARG H . 50276 1 2 . 1 . 1 6 6 ARG N N 15 119.772 0.000 . 1 . . . . . 6 ARG N . 50276 1 3 . 1 . 1 7 7 GLU H H 1 7.952 0.000 . 1 . . . . . 7 GLU H . 50276 1 4 . 1 . 1 7 7 GLU N N 15 117.476 0.000 . 1 . . . . . 7 GLU N . 50276 1 5 . 1 . 1 8 8 LEU H H 1 7.767 0.000 . 1 . . . . . 8 LEU H . 50276 1 6 . 1 . 1 8 8 LEU N N 15 119.863 0.000 . 1 . . . . . 8 LEU N . 50276 1 7 . 1 . 1 9 9 VAL H H 1 7.682 0.000 . 1 . . . . . 9 VAL H . 50276 1 8 . 1 . 1 9 9 VAL CA C 13 67.93 0.000 . 1 . . . . . 9 VAL CA . 50276 1 9 . 1 . 1 9 9 VAL CB C 13 32.41 0.000 . 1 . . . . . 9 VAL CB . 50276 1 10 . 1 . 1 9 9 VAL N N 15 117.863 0.000 . 1 . . . . . 9 VAL N . 50276 1 11 . 1 . 1 10 10 VAL H H 1 8.306 0.000 . 1 . . . . . 10 VAL H . 50276 1 12 . 1 . 1 10 10 VAL N N 15 116.845 0.000 . 1 . . . . . 10 VAL N . 50276 1 13 . 1 . 1 11 11 ASP H H 1 8.012 0.000 . 1 . . . . . 11 ASP H . 50276 1 14 . 1 . 1 11 11 ASP N N 15 121.082 0.000 . 1 . . . . . 11 ASP N . 50276 1 15 . 1 . 1 12 12 PHE H H 1 8.263 0.000 . 1 . . . . . 12 PHE H . 50276 1 16 . 1 . 1 12 12 PHE CA C 13 63.17 0.000 . 1 . . . . . 12 PHE CA . 50276 1 17 . 1 . 1 12 12 PHE CB C 13 39.81 0.000 . 1 . . . . . 12 PHE CB . 50276 1 18 . 1 . 1 12 12 PHE N N 15 120.02 0.000 . 1 . . . . . 12 PHE N . 50276 1 19 . 1 . 1 13 13 LEU H H 1 8.798 0.000 . 1 . . . . . 13 LEU H . 50276 1 20 . 1 . 1 13 13 LEU CA C 13 58.27 0.000 . 1 . . . . . 13 LEU CA . 50276 1 21 . 1 . 1 13 13 LEU CB C 13 39.77 0.000 . 1 . . . . . 13 LEU CB . 50276 1 22 . 1 . 1 13 13 LEU N N 15 116.631 0.000 . 1 . . . . . 13 LEU N . 50276 1 23 . 1 . 1 14 14 SER H H 1 8.413 0.000 . 1 . . . . . 14 SER H . 50276 1 24 . 1 . 1 14 14 SER CA C 13 62.60 0.000 . 1 . . . . . 14 SER CA . 50276 1 25 . 1 . 1 14 14 SER N N 15 114.030 0.000 . 1 . . . . . 14 SER N . 50276 1 26 . 1 . 1 15 15 TYR H H 1 8.193 0.000 . 1 . . . . . 15 TYR H . 50276 1 27 . 1 . 1 15 15 TYR CA C 13 60.08 0.000 . 1 . . . . . 15 TYR CA . 50276 1 28 . 1 . 1 15 15 TYR CB C 13 37.83 0.000 . 1 . . . . . 15 TYR CB . 50276 1 29 . 1 . 1 15 15 TYR N N 15 124.791 0.000 . 1 . . . . . 15 TYR N . 50276 1 30 . 1 . 1 16 16 LYS H H 1 8.263 0.000 . 1 . . . . . 16 LYS H . 50276 1 31 . 1 . 1 16 16 LYS CA C 13 57.03 0.000 . 1 . . . . . 16 LYS CA . 50276 1 32 . 1 . 1 16 16 LYS N N 15 120.02 0.000 . 1 . . . . . 16 LYS N . 50276 1 33 . 1 . 1 17 17 LEU H H 1 8.617 0.000 . 1 . . . . . 17 LEU H . 50276 1 34 . 1 . 1 17 17 LEU CA C 13 58.73 0.000 . 1 . . . . . 17 LEU CA . 50276 1 35 . 1 . 1 17 17 LEU CB C 13 41.15 0.000 . 1 . . . . . 17 LEU CB . 50276 1 36 . 1 . 1 17 17 LEU N N 15 118.487 0.000 . 1 . . . . . 17 LEU N . 50276 1 37 . 1 . 1 18 18 SER H H 1 8.303 0.000 . 1 . . . . . 18 SER H . 50276 1 38 . 1 . 1 18 18 SER CA C 13 63.87 0.000 . 1 . . . . . 18 SER CA . 50276 1 39 . 1 . 1 18 18 SER N N 15 117.647 0.000 . 1 . . . . . 18 SER N . 50276 1 40 . 1 . 1 19 19 GLN H H 1 7.640 0.000 . 1 . . . . . 19 GLN H . 50276 1 41 . 1 . 1 19 19 GLN CA C 13 58.46 0.000 . 1 . . . . . 19 GLN CA . 50276 1 42 . 1 . 1 19 19 GLN CB C 13 28.71 0.000 . 1 . . . . . 19 GLN CB . 50276 1 43 . 1 . 1 19 19 GLN N N 15 122.843 0.000 . 1 . . . . . 19 GLN N . 50276 1 44 . 1 . 1 20 20 LYS H H 1 7.199 0.000 . 1 . . . . . 20 LYS H . 50276 1 45 . 1 . 1 20 20 LYS CA C 13 53.90 0.000 . 1 . . . . . 20 LYS CA . 50276 1 46 . 1 . 1 20 20 LYS CB C 13 32.64 0.000 . 1 . . . . . 20 LYS CB . 50276 1 47 . 1 . 1 20 20 LYS N N 15 116.464 0.000 . 1 . . . . . 20 LYS N . 50276 1 48 . 1 . 1 21 21 GLY H H 1 7.554 0.000 . 1 . . . . . 21 GLY H . 50276 1 49 . 1 . 1 21 21 GLY CA C 13 45.17 0.000 . 1 . . . . . 21 GLY CA . 50276 1 50 . 1 . 1 21 21 GLY N N 15 105.609 0.000 . 1 . . . . . 21 GLY N . 50276 1 51 . 1 . 1 22 22 TYR H H 1 7.826 0.000 . 1 . . . . . 22 TYR H . 50276 1 52 . 1 . 1 22 22 TYR CA C 13 63.17 0.000 . 1 . . . . . 22 TYR CA . 50276 1 53 . 1 . 1 22 22 TYR CB C 13 39.81 0.000 . 1 . . . . . 22 TYR CB . 50276 1 54 . 1 . 1 22 22 TYR N N 15 119.894 0.000 . 1 . . . . . 22 TYR N . 50276 1 55 . 1 . 1 23 23 SER H H 1 8.51 0.000 . 1 . . . . . 23 SER H . 50276 1 56 . 1 . 1 23 23 SER CA C 13 57.09 0.000 . 1 . . . . . 23 SER CA . 50276 1 57 . 1 . 1 23 23 SER CB C 13 64.74 0.000 . 1 . . . . . 23 SER CB . 50276 1 58 . 1 . 1 23 23 SER N N 15 115.87 0.000 . 1 . . . . . 23 SER N . 50276 1 59 . 1 . 1 24 24 TRP H H 1 8.844 0.000 . 1 . . . . . 24 TRP H . 50276 1 60 . 1 . 1 24 24 TRP CA C 13 59.09 0.000 . 1 . . . . . 24 TRP CA . 50276 1 61 . 1 . 1 24 24 TRP CB C 13 30.39 0.000 . 1 . . . . . 24 TRP CB . 50276 1 62 . 1 . 1 24 24 TRP N N 15 127.052 0.000 . 1 . . . . . 24 TRP N . 50276 1 63 . 1 . 1 25 25 SER H H 1 8.107 0.000 . 1 . . . . . 25 SER H . 50276 1 64 . 1 . 1 25 25 SER CA C 13 59.47 0.000 . 1 . . . . . 25 SER CA . 50276 1 65 . 1 . 1 25 25 SER CB C 13 63.20 0.000 . 1 . . . . . 25 SER CB . 50276 1 66 . 1 . 1 25 25 SER N N 15 113.463 0.000 . 1 . . . . . 25 SER N . 50276 1 67 . 1 . 1 26 26 GLN H H 1 7.369 0.000 . 1 . . . . . 26 GLN H . 50276 1 68 . 1 . 1 26 26 GLN CA C 13 57.06 0.000 . 1 . . . . . 26 GLN CA . 50276 1 69 . 1 . 1 26 26 GLN CB C 13 28.59 0.000 . 1 . . . . . 26 GLN CB . 50276 1 70 . 1 . 1 26 26 GLN N N 15 119.731 0.000 . 1 . . . . . 26 GLN N . 50276 1 71 . 1 . 1 27 27 PHE H H 1 7.360 0.000 . 1 . . . . . 27 PHE H . 50276 1 72 . 1 . 1 27 27 PHE CA C 13 56.75 0.000 . 1 . . . . . 27 PHE CA . 50276 1 73 . 1 . 1 27 27 PHE CB C 13 39.22 0.000 . 1 . . . . . 27 PHE CB . 50276 1 74 . 1 . 1 27 27 PHE N N 15 117.395 0.000 . 1 . . . . . 27 PHE N . 50276 1 75 . 1 . 1 28 28 SER H H 1 7.471 0.000 . 1 . . . . . 28 SER H . 50276 1 76 . 1 . 1 28 28 SER CA C 13 58.44 0.000 . 1 . . . . . 28 SER CA . 50276 1 77 . 1 . 1 28 28 SER CB C 13 63.90 0.000 . 1 . . . . . 28 SER CB . 50276 1 78 . 1 . 1 28 28 SER N N 15 114.795 0.000 . 1 . . . . . 28 SER N . 50276 1 79 . 1 . 1 29 29 ASP H H 1 8.265 0.000 . 1 . . . . . 29 ASP H . 50276 1 80 . 1 . 1 29 29 ASP CA C 13 54.26 0.000 . 1 . . . . . 29 ASP CA . 50276 1 81 . 1 . 1 29 29 ASP CB C 13 40.92 0.000 . 1 . . . . . 29 ASP CB . 50276 1 82 . 1 . 1 29 29 ASP N N 15 122.387 0.000 . 1 . . . . . 29 ASP N . 50276 1 83 . 1 . 1 30 30 VAL H H 1 7.839 0.000 . 1 . . . . . 30 VAL H . 50276 1 84 . 1 . 1 30 30 VAL CA C 13 62.52 0.000 . 1 . . . . . 30 VAL CA . 50276 1 85 . 1 . 1 30 30 VAL CB C 13 32.64 0.000 . 1 . . . . . 30 VAL CB . 50276 1 86 . 1 . 1 30 30 VAL N N 15 118.881 0.000 . 1 . . . . . 30 VAL N . 50276 1 87 . 1 . 1 31 31 GLU H H 1 8.357 0.000 . 1 . . . . . 31 GLU H . 50276 1 88 . 1 . 1 31 31 GLU CA C 13 56.68 0.000 . 1 . . . . . 31 GLU CA . 50276 1 89 . 1 . 1 31 31 GLU CB C 13 30.34 0.000 . 1 . . . . . 31 GLU CB . 50276 1 90 . 1 . 1 31 31 GLU N N 15 124.079 0.000 . 1 . . . . . 31 GLU N . 50276 1 91 . 1 . 1 32 32 GLU H H 1 8.357 0.000 . 1 . . . . . 32 GLU H . 50276 1 92 . 1 . 1 32 32 GLU CA C 13 56.84 0.000 . 1 . . . . . 32 GLU CA . 50276 1 93 . 1 . 1 32 32 GLU CB C 13 30.28 0.000 . 1 . . . . . 32 GLU CB . 50276 1 94 . 1 . 1 32 32 GLU N N 15 121.763 0.000 . 1 . . . . . 32 GLU N . 50276 1 95 . 1 . 1 33 33 ASN H H 1 8.389 0.000 . 1 . . . . . 33 ASN H . 50276 1 96 . 1 . 1 33 33 ASN CA C 13 53.24 0.000 . 1 . . . . . 33 ASN CA . 50276 1 97 . 1 . 1 33 33 ASN CB C 13 38.64 0.000 . 1 . . . . . 33 ASN CB . 50276 1 98 . 1 . 1 33 33 ASN N N 15 119.427 0.000 . 1 . . . . . 33 ASN N . 50276 1 99 . 1 . 1 34 34 ARG H H 1 8.221 0.000 . 1 . . . . . 34 ARG H . 50276 1 100 . 1 . 1 34 34 ARG CA C 13 56.19 0.000 . 1 . . . . . 34 ARG CA . 50276 1 101 . 1 . 1 34 34 ARG CB C 13 30.79 0.000 . 1 . . . . . 34 ARG CB . 50276 1 102 . 1 . 1 34 34 ARG N N 15 121.967 0.000 . 1 . . . . . 34 ARG N . 50276 1 103 . 1 . 1 35 35 THR H H 1 8.210 0.000 . 1 . . . . . 35 THR H . 50276 1 104 . 1 . 1 35 35 THR CA C 13 62.03 0.000 . 1 . . . . . 35 THR CA . 50276 1 105 . 1 . 1 35 35 THR CB C 13 69.90 0.000 . 1 . . . . . 35 THR CB . 50276 1 106 . 1 . 1 35 35 THR N N 15 116.027 0.000 . 1 . . . . . 35 THR N . 50276 1 107 . 1 . 1 36 36 GLU H H 1 8.334 0.000 . 1 . . . . . 36 GLU H . 50276 1 108 . 1 . 1 36 36 GLU CA C 13 56.17 0.000 . 1 . . . . . 36 GLU CA . 50276 1 109 . 1 . 1 36 36 GLU CB C 13 30.36 0.000 . 1 . . . . . 36 GLU CB . 50276 1 110 . 1 . 1 36 36 GLU N N 15 123.338 0.000 . 1 . . . . . 36 GLU N . 50276 1 111 . 1 . 1 37 37 ALA H H 1 8.289 0.000 . 1 . . . . . 37 ALA H . 50276 1 112 . 1 . 1 37 37 ALA CA C 13 50.32 0.000 . 1 . . . . . 37 ALA CA . 50276 1 113 . 1 . 1 37 37 ALA CB C 13 18.09 0.000 . 1 . . . . . 37 ALA CB . 50276 1 114 . 1 . 1 37 37 ALA N N 15 126.488 0.000 . 1 . . . . . 37 ALA N . 50276 1 115 . 1 . 1 38 38 PRO CA C 13 63.06 0.000 . 1 . . . . . 38 PRO CA . 50276 1 116 . 1 . 1 38 38 PRO CB C 13 31.93 0.000 . 1 . . . . . 38 PRO CB . 50276 1 117 . 1 . 1 39 39 GLU H H 1 8.569 0.000 . 1 . . . . . 39 GLU H . 50276 1 118 . 1 . 1 39 39 GLU CA C 13 57.00 0.000 . 1 . . . . . 39 GLU CA . 50276 1 119 . 1 . 1 39 39 GLU CB C 13 30.24 0.000 . 1 . . . . . 39 GLU CB . 50276 1 120 . 1 . 1 39 39 GLU N N 15 121.452 0.000 . 1 . . . . . 39 GLU N . 50276 1 121 . 1 . 1 40 40 GLY H H 1 8.457 0.000 . 1 . . . . . 40 GLY H . 50276 1 122 . 1 . 1 40 40 GLY CA C 13 45.39 0.000 . 1 . . . . . 40 GLY CA . 50276 1 123 . 1 . 1 40 40 GLY N N 15 110.338 0.000 . 1 . . . . . 40 GLY N . 50276 1 124 . 1 . 1 41 41 THR H H 1 7.981 0.000 . 1 . . . . . 41 THR H . 50276 1 125 . 1 . 1 41 41 THR CA C 13 62.02 0.000 . 1 . . . . . 41 THR CA . 50276 1 126 . 1 . 1 41 41 THR CB C 13 70.07 0.000 . 1 . . . . . 41 THR CB . 50276 1 127 . 1 . 1 41 41 THR N N 15 113.155 0.000 . 1 . . . . . 41 THR N . 50276 1 128 . 1 . 1 42 42 GLU H H 1 8.578 0.000 . 1 . . . . . 42 GLU H . 50276 1 129 . 1 . 1 42 42 GLU CA C 13 57.12 0.000 . 1 . . . . . 42 GLU CA . 50276 1 130 . 1 . 1 42 42 GLU CB C 13 29.87 0.000 . 1 . . . . . 42 GLU CB . 50276 1 131 . 1 . 1 42 42 GLU N N 15 123.272 0.000 . 1 . . . . . 42 GLU N . 50276 1 132 . 1 . 1 43 43 SER H H 1 8.260 0.000 . 1 . . . . . 43 SER H . 50276 1 133 . 1 . 1 43 43 SER CA C 13 58.63 0.000 . 1 . . . . . 43 SER CA . 50276 1 134 . 1 . 1 43 43 SER CB C 13 64.00 0.000 . 1 . . . . . 43 SER CB . 50276 1 135 . 1 . 1 43 43 SER N N 15 116.458 0.000 . 1 . . . . . 43 SER N . 50276 1 136 . 1 . 1 44 44 GLU H H 1 8.381 0.000 . 1 . . . . . 44 GLU H . 50276 1 137 . 1 . 1 44 44 GLU CA C 13 56.76 0.000 . 1 . . . . . 44 GLU CA . 50276 1 138 . 1 . 1 44 44 GLU CB C 13 30.00 0.000 . 1 . . . . . 44 GLU CB . 50276 1 139 . 1 . 1 44 44 GLU N N 15 122.622 0.000 . 1 . . . . . 44 GLU N . 50276 1 140 . 1 . 1 45 45 MET H H 1 8.198 0.000 . 1 . . . . . 45 MET H . 50276 1 141 . 1 . 1 45 45 MET CA C 13 55.50 0.000 . 1 . . . . . 45 MET CA . 50276 1 142 . 1 . 1 45 45 MET CB C 13 33.12 0.000 . 1 . . . . . 45 MET CB . 50276 1 143 . 1 . 1 45 45 MET N N 15 120.500 0.000 . 1 . . . . . 45 MET N . 50276 1 144 . 1 . 1 46 46 GLU H H 1 8.305 0.000 . 1 . . . . . 46 GLU H . 50276 1 145 . 1 . 1 46 46 GLU CA C 13 56.64 0.000 . 1 . . . . . 46 GLU CA . 50276 1 146 . 1 . 1 46 46 GLU CB C 13 30.36 0.000 . 1 . . . . . 46 GLU CB . 50276 1 147 . 1 . 1 46 46 GLU N N 15 122.019 0.000 . 1 . . . . . 46 GLU N . 50276 1 148 . 1 . 1 47 47 THR H H 1 8.186 0.000 . 1 . . . . . 47 THR H . 50276 1 149 . 1 . 1 47 47 THR CA C 13 59.82 0.000 . 1 . . . . . 47 THR CA . 50276 1 150 . 1 . 1 47 47 THR CB C 13 69.74 0.000 . 1 . . . . . 47 THR CB . 50276 1 151 . 1 . 1 47 47 THR N N 15 117.922 0.000 . 1 . . . . . 47 THR N . 50276 1 152 . 1 . 1 48 48 PRO CA C 13 63.37 0.000 . 1 . . . . . 48 PRO CA . 50276 1 153 . 1 . 1 48 48 PRO CB C 13 32.07 0.000 . 1 . . . . . 48 PRO CB . 50276 1 154 . 1 . 1 49 49 SER H H 1 8.314 0.000 . 1 . . . . . 49 SER H . 50276 1 155 . 1 . 1 49 49 SER CA C 13 58.54 0.000 . 1 . . . . . 49 SER CA . 50276 1 156 . 1 . 1 49 49 SER CB C 13 64.14 0.000 . 1 . . . . . 49 SER CB . 50276 1 157 . 1 . 1 49 49 SER N N 15 115.891 0.000 . 1 . . . . . 49 SER N . 50276 1 158 . 1 . 1 50 50 ALA H H 1 8.236 0.000 . 1 . . . . . 50 ALA H . 50276 1 159 . 1 . 1 50 50 ALA CA C 13 52.47 0.000 . 1 . . . . . 50 ALA CA . 50276 1 160 . 1 . 1 50 50 ALA CB C 13 19.22 0.000 . 1 . . . . . 50 ALA CB . 50276 1 161 . 1 . 1 50 50 ALA N N 15 125.818 0.000 . 1 . . . . . 50 ALA N . 50276 1 162 . 1 . 1 51 51 ILE H H 1 8.013 0.000 . 1 . . . . . 51 ILE H . 50276 1 163 . 1 . 1 51 51 ILE CA C 13 61.35 0.000 . 1 . . . . . 51 ILE CA . 50276 1 164 . 1 . 1 51 51 ILE CB C 13 38.87 0.000 . 1 . . . . . 51 ILE CB . 50276 1 165 . 1 . 1 51 51 ILE N N 15 119.175 0.000 . 1 . . . . . 51 ILE N . 50276 1 166 . 1 . 1 52 52 ASN H H 1 8.288 0.000 . 1 . . . . . 52 ASN H . 50276 1 167 . 1 . 1 52 52 ASN CA C 13 53.31 0.000 . 1 . . . . . 52 ASN CA . 50276 1 168 . 1 . 1 52 52 ASN CB C 13 38.72 0.000 . 1 . . . . . 52 ASN CB . 50276 1 169 . 1 . 1 52 52 ASN N N 15 121.624 0.000 . 1 . . . . . 52 ASN N . 50276 1 170 . 1 . 1 53 53 GLY H H 1 8.179 0.000 . 1 . . . . . 53 GLY H . 50276 1 171 . 1 . 1 53 53 GLY CA C 13 45.19 0.000 . 1 . . . . . 53 GLY CA . 50276 1 172 . 1 . 1 53 53 GLY N N 15 108.828 0.000 . 1 . . . . . 53 GLY N . 50276 1 173 . 1 . 1 54 54 ASN H H 1 8.059 0.000 . 1 . . . . . 54 ASN H . 50276 1 174 . 1 . 1 54 54 ASN N N 15 119.190 0.000 . 1 . . . . . 54 ASN N . 50276 1 175 . 1 . 1 55 55 PRO CA C 13 63.53 0.000 . 1 . . . . . 55 PRO CA . 50276 1 176 . 1 . 1 55 55 PRO CB C 13 31.99 0.000 . 1 . . . . . 55 PRO CB . 50276 1 177 . 1 . 1 56 56 SER H H 1 8.239 0.000 . 1 . . . . . 56 SER H . 50276 1 178 . 1 . 1 56 56 SER CA C 13 58.79 0.000 . 1 . . . . . 56 SER CA . 50276 1 179 . 1 . 1 56 56 SER CB C 13 63.61 0.000 . 1 . . . . . 56 SER CB . 50276 1 180 . 1 . 1 56 56 SER N N 15 115.020 0.000 . 1 . . . . . 56 SER N . 50276 1 181 . 1 . 1 57 57 TRP H H 1 7.774 0.000 . 1 . . . . . 57 TRP H . 50276 1 182 . 1 . 1 57 57 TRP CA C 13 57.22 0.000 . 1 . . . . . 57 TRP CA . 50276 1 183 . 1 . 1 57 57 TRP CB C 13 29.24 0.000 . 1 . . . . . 57 TRP CB . 50276 1 184 . 1 . 1 57 57 TRP N N 15 121.955 0.000 . 1 . . . . . 57 TRP N . 50276 1 185 . 1 . 1 59 59 LEU H H 1 7.826 0.000 . 1 . . . . . 59 LEU H . 50276 1 186 . 1 . 1 59 59 LEU CA C 13 55.20 0.000 . 1 . . . . . 59 LEU CA . 50276 1 187 . 1 . 1 59 59 LEU CB C 13 42.12 0.000 . 1 . . . . . 59 LEU CB . 50276 1 188 . 1 . 1 59 59 LEU N N 15 123.197 0.000 . 1 . . . . . 59 LEU N . 50276 1 189 . 1 . 1 60 60 ALA H H 1 8.119 0.000 . 1 . . . . . 60 ALA H . 50276 1 190 . 1 . 1 60 60 ALA CA C 13 52.63 0.000 . 1 . . . . . 60 ALA CA . 50276 1 191 . 1 . 1 60 60 ALA CB C 13 19.18 0.000 . 1 . . . . . 60 ALA CB . 50276 1 192 . 1 . 1 60 60 ALA N N 15 124.173 0.000 . 1 . . . . . 60 ALA N . 50276 1 193 . 1 . 1 61 61 ASP H H 1 8.130 0.000 . 1 . . . . . 61 ASP H . 50276 1 194 . 1 . 1 61 61 ASP CA C 13 54.24 0.000 . 1 . . . . . 61 ASP CA . 50276 1 195 . 1 . 1 61 61 ASP CB C 13 41.42 0.000 . 1 . . . . . 61 ASP CB . 50276 1 196 . 1 . 1 61 61 ASP N N 15 118.789 0.000 . 1 . . . . . 61 ASP N . 50276 1 197 . 1 . 1 62 62 SER H H 1 8.004 0.000 . 1 . . . . . 62 SER H . 50276 1 198 . 1 . 1 62 62 SER CA C 13 56.41 0.000 . 1 . . . . . 62 SER CA . 50276 1 199 . 1 . 1 62 62 SER CB C 13 63.68 0.000 . 1 . . . . . 62 SER CB . 50276 1 200 . 1 . 1 62 62 SER N N 15 116.460 0.000 . 1 . . . . . 62 SER N . 50276 1 201 . 1 . 1 63 63 PRO CA C 13 63.36 0.000 . 1 . . . . . 63 PRO CA . 50276 1 202 . 1 . 1 63 63 PRO CB C 13 31.95 0.000 . 1 . . . . . 63 PRO CB . 50276 1 203 . 1 . 1 64 64 ALA H H 1 8.212 0.000 . 1 . . . . . 64 ALA H . 50276 1 204 . 1 . 1 64 64 ALA CA C 13 52.55 0.000 . 1 . . . . . 64 ALA CA . 50276 1 205 . 1 . 1 64 64 ALA CB C 13 19.04 0.000 . 1 . . . . . 64 ALA CB . 50276 1 206 . 1 . 1 64 64 ALA N N 15 123.768 0.000 . 1 . . . . . 64 ALA N . 50276 1 207 . 1 . 1 65 65 VAL H H 1 7.967 0.000 . 1 . . . . . 65 VAL H . 50276 1 208 . 1 . 1 65 65 VAL CA C 13 62.43 0.000 . 1 . . . . . 65 VAL CA . 50276 1 209 . 1 . 1 65 65 VAL CB C 13 32.75 0.000 . 1 . . . . . 65 VAL CB . 50276 1 210 . 1 . 1 65 65 VAL N N 15 118.818 0.000 . 1 . . . . . 65 VAL N . 50276 1 211 . 1 . 1 66 66 ASN H H 1 8.390 0.000 . 1 . . . . . 66 ASN H . 50276 1 212 . 1 . 1 66 66 ASN CA C 13 53.35 0.000 . 1 . . . . . 66 ASN CA . 50276 1 213 . 1 . 1 66 66 ASN CB C 13 38.88 0.000 . 1 . . . . . 66 ASN CB . 50276 1 214 . 1 . 1 66 66 ASN N N 15 121.680 0.000 . 1 . . . . . 66 ASN N . 50276 1 215 . 1 . 1 67 67 GLY H H 1 8.291 0.000 . 1 . . . . . 67 GLY H . 50276 1 216 . 1 . 1 67 67 GLY CA C 13 45.47 0.000 . 1 . . . . . 67 GLY CA . 50276 1 217 . 1 . 1 67 67 GLY N N 15 109.477 0.000 . 1 . . . . . 67 GLY N . 50276 1 218 . 1 . 1 68 68 ALA H H 1 8.106 0.000 . 1 . . . . . 68 ALA H . 50276 1 219 . 1 . 1 68 68 ALA CA C 13 52.66 0.000 . 1 . . . . . 68 ALA CA . 50276 1 220 . 1 . 1 68 68 ALA CB C 13 19.21 0.000 . 1 . . . . . 68 ALA CB . 50276 1 221 . 1 . 1 68 68 ALA N N 15 123.553 0.000 . 1 . . . . . 68 ALA N . 50276 1 222 . 1 . 1 69 69 THR H H 1 8.059 0.000 . 1 . . . . . 69 THR H . 50276 1 223 . 1 . 1 69 69 THR CA C 13 62.00 0.000 . 1 . . . . . 69 THR CA . 50276 1 224 . 1 . 1 69 69 THR CB C 13 69.78 0.000 . 1 . . . . . 69 THR CB . 50276 1 225 . 1 . 1 69 69 THR N N 15 112.341 0.000 . 1 . . . . . 69 THR N . 50276 1 226 . 1 . 1 70 70 GLY H H 1 8.280 0.000 . 1 . . . . . 70 GLY H . 50276 1 227 . 1 . 1 70 70 GLY CA C 13 45.37 0.000 . 1 . . . . . 70 GLY CA . 50276 1 228 . 1 . 1 70 70 GLY N N 15 110.690 0.000 . 1 . . . . . 70 GLY N . 50276 1 229 . 1 . 1 71 71 HIS H H 1 7.918 0.000 . 1 . . . . . 71 HIS H . 50276 1 230 . 1 . 1 71 71 HIS CA C 13 59.59 0.000 . 1 . . . . . 71 HIS CA . 50276 1 231 . 1 . 1 71 71 HIS CB C 13 29.48 0.000 . 1 . . . . . 71 HIS CB . 50276 1 232 . 1 . 1 71 71 HIS N N 15 117.547 0.000 . 1 . . . . . 71 HIS N . 50276 1 233 . 1 . 1 75 75 LEU H H 1 8.171 0.000 . 1 . . . . . 75 LEU H . 50276 1 234 . 1 . 1 75 75 LEU CA C 13 55.62 0.000 . 1 . . . . . 75 LEU CA . 50276 1 235 . 1 . 1 75 75 LEU CB C 13 41.13 0.000 . 1 . . . . . 75 LEU CB . 50276 1 236 . 1 . 1 75 75 LEU N N 15 123.629 0.000 . 1 . . . . . 75 LEU N . 50276 1 237 . 1 . 1 76 76 ASP H H 1 8.121 0.000 . 1 . . . . . 76 ASP H . 50276 1 238 . 1 . 1 76 76 ASP CA C 13 54.35 0.000 . 1 . . . . . 76 ASP CA . 50276 1 239 . 1 . 1 76 76 ASP CB C 13 41.30 0.000 . 1 . . . . . 76 ASP CB . 50276 1 240 . 1 . 1 76 76 ASP N N 15 120.555 0.000 . 1 . . . . . 76 ASP N . 50276 1 241 . 1 . 1 77 77 ALA H H 1 8.062 0.000 . 1 . . . . . 77 ALA H . 50276 1 242 . 1 . 1 77 77 ALA CA C 13 52.64 0.000 . 1 . . . . . 77 ALA CA . 50276 1 243 . 1 . 1 77 77 ALA CB C 13 18.98 0.000 . 1 . . . . . 77 ALA CB . 50276 1 244 . 1 . 1 77 77 ALA N N 15 124.549 0.000 . 1 . . . . . 77 ALA N . 50276 1 245 . 1 . 1 78 78 ARG H H 1 8.160 0.000 . 1 . . . . . 78 ARG H . 50276 1 246 . 1 . 1 78 78 ARG CA C 13 56.24 0.000 . 1 . . . . . 78 ARG CA . 50276 1 247 . 1 . 1 78 78 ARG CB C 13 30.82 0.000 . 1 . . . . . 78 ARG CB . 50276 1 248 . 1 . 1 78 78 ARG N N 15 119.571 0.000 . 1 . . . . . 78 ARG N . 50276 1 249 . 1 . 1 79 79 GLU H H 1 8.307 0.000 . 1 . . . . . 79 GLU H . 50276 1 250 . 1 . 1 79 79 GLU CA C 13 56.72 0.000 . 1 . . . . . 79 GLU CA . 50276 1 251 . 1 . 1 79 79 GLU CB C 13 30.36 0.000 . 1 . . . . . 79 GLU CB . 50276 1 252 . 1 . 1 79 79 GLU N N 15 121.502 0.000 . 1 . . . . . 79 GLU N . 50276 1 253 . 1 . 1 81 81 ILE H H 1 8.340 0.000 . 1 . . . . . 81 ILE H . 50276 1 254 . 1 . 1 81 81 ILE CA C 13 58.68 0.000 . 1 . . . . . 81 ILE CA . 50276 1 255 . 1 . 1 81 81 ILE CB C 13 38.38 0.000 . 1 . . . . . 81 ILE CB . 50276 1 256 . 1 . 1 81 81 ILE N N 15 126.026 0.000 . 1 . . . . . 81 ILE N . 50276 1 257 . 1 . 1 83 83 MET H H 1 8.326 0.000 . 1 . . . . . 83 MET H . 50276 1 258 . 1 . 1 83 83 MET N N 15 122.221 0.000 . 1 . . . . . 83 MET N . 50276 1 259 . 1 . 1 84 84 ALA H H 1 8.258 0.000 . 1 . . . . . 84 ALA H . 50276 1 260 . 1 . 1 84 84 ALA N N 15 124.444 0.000 . 1 . . . . . 84 ALA N . 50276 1 261 . 1 . 1 86 86 VAL H H 1 8.207 0.000 . 1 . . . . . 86 VAL H . 50276 1 262 . 1 . 1 86 86 VAL N N 15 119.956 0.000 . 1 . . . . . 86 VAL N . 50276 1 263 . 1 . 1 87 87 LYS H H 1 7.875 0.000 . 1 . . . . . 87 LYS H . 50276 1 264 . 1 . 1 87 87 LYS N N 15 120.245 0.000 . 1 . . . . . 87 LYS N . 50276 1 265 . 1 . 1 88 88 GLN H H 1 8.094 0.000 . 1 . . . . . 88 GLN H . 50276 1 266 . 1 . 1 88 88 GLN CA C 13 58.86 0.000 . 1 . . . . . 88 GLN CA . 50276 1 267 . 1 . 1 88 88 GLN CB C 13 29.65 0.000 . 1 . . . . . 88 GLN CB . 50276 1 268 . 1 . 1 88 88 GLN N N 15 116.661 0.000 . 1 . . . . . 88 GLN N . 50276 1 269 . 1 . 1 89 89 ALA H H 1 7.724 0.000 . 1 . . . . . 89 ALA H . 50276 1 270 . 1 . 1 89 89 ALA CA C 13 54.98 0.000 . 1 . . . . . 89 ALA CA . 50276 1 271 . 1 . 1 89 89 ALA CB C 13 18.13 0.000 . 1 . . . . . 89 ALA CB . 50276 1 272 . 1 . 1 89 89 ALA N N 15 119.894 0.000 . 1 . . . . . 89 ALA N . 50276 1 273 . 1 . 1 90 90 LEU H H 1 8.591 0.000 . 1 . . . . . 90 LEU H . 50276 1 274 . 1 . 1 90 90 LEU CA C 13 58.75 0.000 . 1 . . . . . 90 LEU CA . 50276 1 275 . 1 . 1 90 90 LEU CB C 13 41.92 0.000 . 1 . . . . . 90 LEU CB . 50276 1 276 . 1 . 1 90 90 LEU N N 15 120.507 0.000 . 1 . . . . . 90 LEU N . 50276 1 277 . 1 . 1 91 91 ARG H H 1 8.022 0.000 . 1 . . . . . 91 ARG H . 50276 1 278 . 1 . 1 91 91 ARG CB C 13 32.82 0.000 . 1 . . . . . 91 ARG CB . 50276 1 279 . 1 . 1 91 91 ARG N N 15 118.585 0.000 . 1 . . . . . 91 ARG N . 50276 1 280 . 1 . 1 92 92 GLU H H 1 7.816 0.000 . 1 . . . . . 92 GLU H . 50276 1 281 . 1 . 1 92 92 GLU CA C 13 59.27 0.000 . 1 . . . . . 92 GLU CA . 50276 1 282 . 1 . 1 92 92 GLU CB C 13 29.25 0.000 . 1 . . . . . 92 GLU CB . 50276 1 283 . 1 . 1 92 92 GLU N N 15 116.309 0.000 . 1 . . . . . 92 GLU N . 50276 1 284 . 1 . 1 93 93 ALA H H 1 8.922 0.000 . 1 . . . . . 93 ALA H . 50276 1 285 . 1 . 1 93 93 ALA CA C 13 55.26 0.000 . 1 . . . . . 93 ALA CA . 50276 1 286 . 1 . 1 93 93 ALA CB C 13 19.17 0.000 . 1 . . . . . 93 ALA CB . 50276 1 287 . 1 . 1 93 93 ALA N N 15 123.376 0.000 . 1 . . . . . 93 ALA N . 50276 1 288 . 1 . 1 94 94 GLY H H 1 9.156 0.000 . 1 . . . . . 94 GLY H . 50276 1 289 . 1 . 1 94 94 GLY CA C 13 47.21 0.000 . 1 . . . . . 94 GLY CA . 50276 1 290 . 1 . 1 94 94 GLY N N 15 108.470 0.000 . 1 . . . . . 94 GLY N . 50276 1 291 . 1 . 1 95 95 ASP H H 1 8.164 0.000 . 1 . . . . . 95 ASP H . 50276 1 292 . 1 . 1 95 95 ASP CA C 13 57.86 0.000 . 1 . . . . . 95 ASP CA . 50276 1 293 . 1 . 1 95 95 ASP CB C 13 39.59 0.000 . 1 . . . . . 95 ASP CB . 50276 1 294 . 1 . 1 95 95 ASP N N 15 122.520 0.000 . 1 . . . . . 95 ASP N . 50276 1 295 . 1 . 1 96 96 GLU H H 1 8.168 0.000 . 1 . . . . . 96 GLU H . 50276 1 296 . 1 . 1 96 96 GLU N N 15 120.724 0.000 . 1 . . . . . 96 GLU N . 50276 1 297 . 1 . 1 97 97 PHE H H 1 8.669 0.000 . 1 . . . . . 97 PHE H . 50276 1 298 . 1 . 1 97 97 PHE CA C 13 61.98 0.000 . 1 . . . . . 97 PHE CA . 50276 1 299 . 1 . 1 97 97 PHE N N 15 121.529 0.000 . 1 . . . . . 97 PHE N . 50276 1 300 . 1 . 1 98 98 GLU H H 1 7.988 0.000 . 1 . . . . . 98 GLU H . 50276 1 301 . 1 . 1 98 98 GLU CB C 13 29.73 0.000 . 1 . . . . . 98 GLU CB . 50276 1 302 . 1 . 1 98 98 GLU N N 15 117.409 0.000 . 1 . . . . . 98 GLU N . 50276 1 303 . 1 . 1 99 99 LEU H H 1 7.454 0.000 . 1 . . . . . 99 LEU H . 50276 1 304 . 1 . 1 99 99 LEU CA C 13 57.02 0.000 . 1 . . . . . 99 LEU CA . 50276 1 305 . 1 . 1 99 99 LEU CB C 13 42.66 0.000 . 1 . . . . . 99 LEU CB . 50276 1 306 . 1 . 1 99 99 LEU N N 15 117.323 0.000 . 1 . . . . . 99 LEU N . 50276 1 307 . 1 . 1 100 100 ARG H H 1 7.524 0.000 . 1 . . . . . 100 ARG H . 50276 1 308 . 1 . 1 100 100 ARG CA C 13 59.18 0.000 . 1 . . . . . 100 ARG CA . 50276 1 309 . 1 . 1 100 100 ARG CB C 13 27.80 0.000 . 1 . . . . . 100 ARG CB . 50276 1 310 . 1 . 1 100 100 ARG N N 15 116.293 0.000 . 1 . . . . . 100 ARG N . 50276 1 311 . 1 . 1 101 101 TYR H H 1 7.948 0.000 . 1 . . . . . 101 TYR H . 50276 1 312 . 1 . 1 101 101 TYR N N 15 118.970 0.000 . 1 . . . . . 101 TYR N . 50276 1 313 . 1 . 1 102 102 ARG H H 1 7.380 0.000 . 1 . . . . . 102 ARG H . 50276 1 314 . 1 . 1 102 102 ARG CA C 13 59.04 0.000 . 1 . . . . . 102 ARG CA . 50276 1 315 . 1 . 1 102 102 ARG N N 15 119.915 0.000 . 1 . . . . . 102 ARG N . 50276 1 316 . 1 . 1 104 104 ALA H H 1 7.796 0.000 . 1 . . . . . 104 ALA H . 50276 1 317 . 1 . 1 104 104 ALA CA C 13 54.61 0.000 . 1 . . . . . 104 ALA CA . 50276 1 318 . 1 . 1 104 104 ALA N N 15 121.801 0.000 . 1 . . . . . 104 ALA N . 50276 1 319 . 1 . 1 105 105 PHE H H 1 8.494 0.000 . 1 . . . . . 105 PHE H . 50276 1 320 . 1 . 1 105 105 PHE CA C 13 58.23 0.000 . 1 . . . . . 105 PHE CA . 50276 1 321 . 1 . 1 105 105 PHE CB C 13 38.77 0.000 . 1 . . . . . 105 PHE CB . 50276 1 322 . 1 . 1 105 105 PHE N N 15 115.592 0.000 . 1 . . . . . 105 PHE N . 50276 1 323 . 1 . 1 106 106 SER H H 1 7.847 0.000 . 1 . . . . . 106 SER H . 50276 1 324 . 1 . 1 106 106 SER CA C 13 55.51 0.000 . 1 . . . . . 106 SER CA . 50276 1 325 . 1 . 1 106 106 SER CB C 13 64.39 0.000 . 1 . . . . . 106 SER CB . 50276 1 326 . 1 . 1 106 106 SER N N 15 114.884 0.000 . 1 . . . . . 106 SER N . 50276 1 327 . 1 . 1 107 107 ASP H H 1 8.434 0.000 . 1 . . . . . 107 ASP H . 50276 1 328 . 1 . 1 107 107 ASP N N 15 121.483 0.000 . 1 . . . . . 107 ASP N . 50276 1 329 . 1 . 1 108 108 LEU H H 1 7.797 0.000 . 1 . . . . . 108 LEU H . 50276 1 330 . 1 . 1 108 108 LEU CA C 13 57.83 0.000 . 1 . . . . . 108 LEU CA . 50276 1 331 . 1 . 1 108 108 LEU CB C 13 42.23 0.000 . 1 . . . . . 108 LEU CB . 50276 1 332 . 1 . 1 108 108 LEU N N 15 121.042 0.000 . 1 . . . . . 108 LEU N . 50276 1 333 . 1 . 1 109 109 THR H H 1 8.429 0.000 . 1 . . . . . 109 THR H . 50276 1 334 . 1 . 1 109 109 THR CA C 13 65.87 0.000 . 1 . . . . . 109 THR CA . 50276 1 335 . 1 . 1 109 109 THR CB C 13 68.29 0.000 . 1 . . . . . 109 THR CB . 50276 1 336 . 1 . 1 109 109 THR N N 15 110.168 0.000 . 1 . . . . . 109 THR N . 50276 1 337 . 1 . 1 110 110 SER H H 1 7.685 0.000 . 1 . . . . . 110 SER H . 50276 1 338 . 1 . 1 110 110 SER CA C 13 60.74 0.000 . 1 . . . . . 110 SER CA . 50276 1 339 . 1 . 1 110 110 SER CB C 13 63.23 0.000 . 1 . . . . . 110 SER CB . 50276 1 340 . 1 . 1 110 110 SER N N 15 116.507 0.000 . 1 . . . . . 110 SER N . 50276 1 341 . 1 . 1 111 111 GLN H H 1 7.676 0.000 . 1 . . . . . 111 GLN H . 50276 1 342 . 1 . 1 111 111 GLN CA C 13 57.31 0.000 . 1 . . . . . 111 GLN CA . 50276 1 343 . 1 . 1 111 111 GLN CB C 13 29.30 0.000 . 1 . . . . . 111 GLN CB . 50276 1 344 . 1 . 1 111 111 GLN N N 15 119.034 0.000 . 1 . . . . . 111 GLN N . 50276 1 345 . 1 . 1 112 112 LEU H H 1 7.503 0.000 . 1 . . . . . 112 LEU H . 50276 1 346 . 1 . 1 112 112 LEU CA C 13 55.37 0.000 . 1 . . . . . 112 LEU CA . 50276 1 347 . 1 . 1 112 112 LEU CB C 13 43.77 0.000 . 1 . . . . . 112 LEU CB . 50276 1 348 . 1 . 1 112 112 LEU N N 15 118.700 0.000 . 1 . . . . . 112 LEU N . 50276 1 349 . 1 . 1 114 114 ILE H H 1 8.695 0.000 . 1 . . . . . 114 ILE H . 50276 1 350 . 1 . 1 114 114 ILE CA C 13 62.01 0.000 . 1 . . . . . 114 ILE CA . 50276 1 351 . 1 . 1 114 114 ILE CB C 13 38.61 0.000 . 1 . . . . . 114 ILE CB . 50276 1 352 . 1 . 1 114 114 ILE N N 15 122.408 0.000 . 1 . . . . . 114 ILE N . 50276 1 353 . 1 . 1 119 119 ALA H H 1 8.702 0.000 . 1 . . . . . 119 ALA H . 50276 1 354 . 1 . 1 119 119 ALA N N 15 129.885 0.000 . 1 . . . . . 119 ALA N . 50276 1 355 . 1 . 1 120 120 TYR H H 1 8.797 0.000 . 1 . . . . . 120 TYR H . 50276 1 356 . 1 . 1 120 120 TYR CA C 13 60.89 0.000 . 1 . . . . . 120 TYR CA . 50276 1 357 . 1 . 1 120 120 TYR N N 15 121.280 0.000 . 1 . . . . . 120 TYR N . 50276 1 358 . 1 . 1 121 121 GLN H H 1 8.475 0.000 . 1 . . . . . 121 GLN H . 50276 1 359 . 1 . 1 121 121 GLN CA C 13 59.95 0.000 . 1 . . . . . 121 GLN CA . 50276 1 360 . 1 . 1 121 121 GLN N N 15 115.087 0.000 . 1 . . . . . 121 GLN N . 50276 1 361 . 1 . 1 122 122 SER H H 1 7.299 0.000 . 1 . . . . . 122 SER H . 50276 1 362 . 1 . 1 122 122 SER CA C 13 62.02 0.000 . 1 . . . . . 122 SER CA . 50276 1 363 . 1 . 1 122 122 SER N N 15 114.420 0.000 . 1 . . . . . 122 SER N . 50276 1 364 . 1 . 1 124 124 GLU H H 1 8.606 0.000 . 1 . . . . . 124 GLU H . 50276 1 365 . 1 . 1 124 124 GLU CA C 13 58.75 0.000 . 1 . . . . . 124 GLU CA . 50276 1 366 . 1 . 1 124 124 GLU CB C 13 29.75 0.000 . 1 . . . . . 124 GLU CB . 50276 1 367 . 1 . 1 124 124 GLU N N 15 119.863 0.000 . 1 . . . . . 124 GLU N . 50276 1 368 . 1 . 1 125 125 GLN H H 1 7.528 0.000 . 1 . . . . . 125 GLN H . 50276 1 369 . 1 . 1 125 125 GLN CA C 13 59.06 0.000 . 1 . . . . . 125 GLN CA . 50276 1 370 . 1 . 1 125 125 GLN CB C 13 28.44 0.000 . 1 . . . . . 125 GLN CB . 50276 1 371 . 1 . 1 125 125 GLN N N 15 114.951 0.000 . 1 . . . . . 125 GLN N . 50276 1 372 . 1 . 1 126 126 VAL H H 1 7.108 0.000 . 1 . . . . . 126 VAL H . 50276 1 373 . 1 . 1 126 126 VAL CA C 13 66.15 0.000 . 1 . . . . . 126 VAL CA . 50276 1 374 . 1 . 1 126 126 VAL N N 15 118.437 0.000 . 1 . . . . . 126 VAL N . 50276 1 375 . 1 . 1 127 127 VAL H H 1 7.936 0.000 . 1 . . . . . 127 VAL H . 50276 1 376 . 1 . 1 127 127 VAL CA C 13 66.34 0.000 . 1 . . . . . 127 VAL CA . 50276 1 377 . 1 . 1 127 127 VAL CB C 13 30.92 0.000 . 1 . . . . . 127 VAL CB . 50276 1 378 . 1 . 1 127 127 VAL N N 15 119.974 0.000 . 1 . . . . . 127 VAL N . 50276 1 379 . 1 . 1 128 128 ASN H H 1 8.364 0.000 . 1 . . . . . 128 ASN H . 50276 1 380 . 1 . 1 128 128 ASN CA C 13 55.37 0.000 . 1 . . . . . 128 ASN CA . 50276 1 381 . 1 . 1 128 128 ASN CB C 13 37.10 0.000 . 1 . . . . . 128 ASN CB . 50276 1 382 . 1 . 1 128 128 ASN N N 15 117.525 0.000 . 1 . . . . . 128 ASN N . 50276 1 383 . 1 . 1 129 129 GLU H H 1 7.323 0.000 . 1 . . . . . 129 GLU H . 50276 1 384 . 1 . 1 129 129 GLU CA C 13 57.89 0.000 . 1 . . . . . 129 GLU CA . 50276 1 385 . 1 . 1 129 129 GLU CB C 13 28.68 0.000 . 1 . . . . . 129 GLU CB . 50276 1 386 . 1 . 1 129 129 GLU N N 15 118.885 0.000 . 1 . . . . . 129 GLU N . 50276 1 387 . 1 . 1 130 130 LEU H H 1 7.552 0.000 . 1 . . . . . 130 LEU H . 50276 1 388 . 1 . 1 130 130 LEU CA C 13 57.37 0.000 . 1 . . . . . 130 LEU CA . 50276 1 389 . 1 . 1 130 130 LEU N N 15 120.777 0.000 . 1 . . . . . 130 LEU N . 50276 1 390 . 1 . 1 131 131 PHE H H 1 6.970 0.000 . 1 . . . . . 131 PHE H . 50276 1 391 . 1 . 1 131 131 PHE CA C 13 57.46 0.000 . 1 . . . . . 131 PHE CA . 50276 1 392 . 1 . 1 131 131 PHE CB C 13 39.33 0.000 . 1 . . . . . 131 PHE CB . 50276 1 393 . 1 . 1 131 131 PHE N N 15 113.319 0.000 . 1 . . . . . 131 PHE N . 50276 1 394 . 1 . 1 132 132 ARG H H 1 7.178 0.000 . 1 . . . . . 132 ARG H . 50276 1 395 . 1 . 1 132 132 ARG CA C 13 59.61 0.000 . 1 . . . . . 132 ARG CA . 50276 1 396 . 1 . 1 132 132 ARG CB C 13 29.90 0.000 . 1 . . . . . 132 ARG CB . 50276 1 397 . 1 . 1 132 132 ARG N N 15 123.936 0.000 . 1 . . . . . 132 ARG N . 50276 1 398 . 1 . 1 133 133 ASP H H 1 8.656 0.000 . 1 . . . . . 133 ASP H . 50276 1 399 . 1 . 1 133 133 ASP CA C 13 53.91 0.000 . 1 . . . . . 133 ASP CA . 50276 1 400 . 1 . 1 133 133 ASP CB C 13 40.44 0.000 . 1 . . . . . 133 ASP CB . 50276 1 401 . 1 . 1 133 133 ASP N N 15 116.864 0.000 . 1 . . . . . 133 ASP N . 50276 1 402 . 1 . 1 134 134 GLY H H 1 7.521 0.000 . 1 . . . . . 134 GLY H . 50276 1 403 . 1 . 1 134 134 GLY CA C 13 43.71 0.000 . 1 . . . . . 134 GLY CA . 50276 1 404 . 1 . 1 134 134 GLY N N 15 108.824 0.000 . 1 . . . . . 134 GLY N . 50276 1 405 . 1 . 1 135 135 VAL H H 1 8.220 0.000 . 1 . . . . . 135 VAL H . 50276 1 406 . 1 . 1 135 135 VAL CA C 13 62.69 0.000 . 1 . . . . . 135 VAL CA . 50276 1 407 . 1 . 1 135 135 VAL N N 15 120.788 0.000 . 1 . . . . . 135 VAL N . 50276 1 408 . 1 . 1 136 136 ASN H H 1 6.339 0.000 . 1 . . . . . 136 ASN H . 50276 1 409 . 1 . 1 136 136 ASN CA C 13 51.69 0.000 . 1 . . . . . 136 ASN CA . 50276 1 410 . 1 . 1 136 136 ASN CB C 13 39.68 0.000 . 1 . . . . . 136 ASN CB . 50276 1 411 . 1 . 1 136 136 ASN N N 15 116.147 0.000 . 1 . . . . . 136 ASN N . 50276 1 412 . 1 . 1 137 137 TRP H H 1 8.514 0.000 . 1 . . . . . 137 TRP H . 50276 1 413 . 1 . 1 137 137 TRP CA C 13 60.96 0.000 . 1 . . . . . 137 TRP CA . 50276 1 414 . 1 . 1 137 137 TRP N N 15 118.678 0.000 . 1 . . . . . 137 TRP N . 50276 1 415 . 1 . 1 138 138 GLY H H 1 8.579 0.000 . 1 . . . . . 138 GLY H . 50276 1 416 . 1 . 1 138 138 GLY CA C 13 47.47 0.000 . 1 . . . . . 138 GLY CA . 50276 1 417 . 1 . 1 138 138 GLY N N 15 106.681 0.000 . 1 . . . . . 138 GLY N . 50276 1 418 . 1 . 1 139 139 ARG H H 1 8.161 0.000 . 1 . . . . . 139 ARG H . 50276 1 419 . 1 . 1 139 139 ARG CA C 13 59.04 0.000 . 1 . . . . . 139 ARG CA . 50276 1 420 . 1 . 1 139 139 ARG CB C 13 30.76 0.000 . 1 . . . . . 139 ARG CB . 50276 1 421 . 1 . 1 139 139 ARG N N 15 121.542 0.000 . 1 . . . . . 139 ARG N . 50276 1 422 . 1 . 1 140 140 ILE H H 1 7.749 0.000 . 1 . . . . . 140 ILE H . 50276 1 423 . 1 . 1 140 140 ILE CA C 13 67.08 0.000 . 1 . . . . . 140 ILE CA . 50276 1 424 . 1 . 1 140 140 ILE N N 15 121.355 0.000 . 1 . . . . . 140 ILE N . 50276 1 425 . 1 . 1 141 141 VAL H H 1 8.275 0.000 . 1 . . . . . 141 VAL H . 50276 1 426 . 1 . 1 141 141 VAL CA C 13 68.18 0.000 . 1 . . . . . 141 VAL CA . 50276 1 427 . 1 . 1 141 141 VAL N N 15 121.232 0.000 . 1 . . . . . 141 VAL N . 50276 1 428 . 1 . 1 142 142 ALA H H 1 7.626 0.000 . 1 . . . . . 142 ALA H . 50276 1 429 . 1 . 1 142 142 ALA CA C 13 55.19 0.000 . 1 . . . . . 142 ALA CA . 50276 1 430 . 1 . 1 142 142 ALA CB C 13 18.29 0.000 . 1 . . . . . 142 ALA CB . 50276 1 431 . 1 . 1 142 142 ALA N N 15 121.577 0.000 . 1 . . . . . 142 ALA N . 50276 1 432 . 1 . 1 143 143 PHE H H 1 8.043 0.000 . 1 . . . . . 143 PHE H . 50276 1 433 . 1 . 1 143 143 PHE N N 15 119.513 0.000 . 1 . . . . . 143 PHE N . 50276 1 434 . 1 . 1 144 144 PHE H H 1 7.924 0.000 . 1 . . . . . 144 PHE H . 50276 1 435 . 1 . 1 144 144 PHE N N 15 120.616 0.000 . 1 . . . . . 144 PHE N . 50276 1 436 . 1 . 1 145 145 SER H H 1 8.434 0.000 . 1 . . . . . 145 SER H . 50276 1 437 . 1 . 1 145 145 SER N N 15 114.753 0.000 . 1 . . . . . 145 SER N . 50276 1 438 . 1 . 1 146 146 PHE H H 1 9.083 0.000 . 1 . . . . . 146 PHE H . 50276 1 439 . 1 . 1 146 146 PHE CA C 13 60.05 0.000 . 1 . . . . . 146 PHE CA . 50276 1 440 . 1 . 1 146 146 PHE CB C 13 38.48 0.000 . 1 . . . . . 146 PHE CB . 50276 1 441 . 1 . 1 146 146 PHE N N 15 124.504 0.000 . 1 . . . . . 146 PHE N . 50276 1 442 . 1 . 1 147 147 GLY H H 1 7.981 0.000 . 1 . . . . . 147 GLY H . 50276 1 443 . 1 . 1 147 147 GLY CA C 13 47.90 0.000 . 1 . . . . . 147 GLY CA . 50276 1 444 . 1 . 1 147 147 GLY N N 15 106.355 0.000 . 1 . . . . . 147 GLY N . 50276 1 445 . 1 . 1 148 148 GLY H H 1 8.827 0.000 . 1 . . . . . 148 GLY H . 50276 1 446 . 1 . 1 148 148 GLY CA C 13 47.71 0.000 . 1 . . . . . 148 GLY CA . 50276 1 447 . 1 . 1 148 148 GLY N N 15 107.705 0.000 . 1 . . . . . 148 GLY N . 50276 1 448 . 1 . 1 149 149 ALA H H 1 8.271 0.000 . 1 . . . . . 149 ALA H . 50276 1 449 . 1 . 1 149 149 ALA CA C 13 55.16 0.000 . 1 . . . . . 149 ALA CA . 50276 1 450 . 1 . 1 149 149 ALA CB C 13 18.01 0.000 . 1 . . . . . 149 ALA CB . 50276 1 451 . 1 . 1 149 149 ALA N N 15 124.849 0.000 . 1 . . . . . 149 ALA N . 50276 1 452 . 1 . 1 150 150 LEU H H 1 8.221 0.000 . 1 . . . . . 150 LEU H . 50276 1 453 . 1 . 1 150 150 LEU CA C 13 57.31 0.000 . 1 . . . . . 150 LEU CA . 50276 1 454 . 1 . 1 150 150 LEU CB C 13 39.15 0.000 . 1 . . . . . 150 LEU CB . 50276 1 455 . 1 . 1 150 150 LEU N N 15 119.213 0.000 . 1 . . . . . 150 LEU N . 50276 1 456 . 1 . 1 154 154 SER H H 1 7.682 0.000 . 1 . . . . . 154 SER H . 50276 1 457 . 1 . 1 154 154 SER CA C 13 63.31 0.000 . 1 . . . . . 154 SER CA . 50276 1 458 . 1 . 1 154 154 SER N N 15 113.804 0.000 . 1 . . . . . 154 SER N . 50276 1 459 . 1 . 1 155 155 VAL H H 1 7.391 0.000 . 1 . . . . . 155 VAL H . 50276 1 460 . 1 . 1 155 155 VAL CA C 13 66.72 0.000 . 1 . . . . . 155 VAL CA . 50276 1 461 . 1 . 1 155 155 VAL CB C 13 30.78 0.000 . 1 . . . . . 155 VAL CB . 50276 1 462 . 1 . 1 155 155 VAL N N 15 121.020 0.000 . 1 . . . . . 155 VAL N . 50276 1 463 . 1 . 1 156 156 ASP H H 1 8.318 0.000 . 1 . . . . . 156 ASP H . 50276 1 464 . 1 . 1 156 156 ASP N N 15 123.070 0.000 . 1 . . . . . 156 ASP N . 50276 1 465 . 1 . 1 157 157 LYS H H 1 7.605 0.000 . 1 . . . . . 157 LYS H . 50276 1 466 . 1 . 1 157 157 LYS CA C 13 55.61 0.000 . 1 . . . . . 157 LYS CA . 50276 1 467 . 1 . 1 157 157 LYS CB C 13 32.10 0.000 . 1 . . . . . 157 LYS CB . 50276 1 468 . 1 . 1 157 157 LYS N N 15 116.147 0.000 . 1 . . . . . 157 LYS N . 50276 1 469 . 1 . 1 158 158 GLU H H 1 7.900 0.000 . 1 . . . . . 158 GLU H . 50276 1 470 . 1 . 1 158 158 GLU CA C 13 57.74 0.000 . 1 . . . . . 158 GLU CA . 50276 1 471 . 1 . 1 158 158 GLU CB C 13 26.31 0.000 . 1 . . . . . 158 GLU CB . 50276 1 472 . 1 . 1 158 158 GLU N N 15 114.182 0.000 . 1 . . . . . 158 GLU N . 50276 1 473 . 1 . 1 159 159 MET H H 1 8.462 0.000 . 1 . . . . . 159 MET H . 50276 1 474 . 1 . 1 159 159 MET CA C 13 53.62 0.000 . 1 . . . . . 159 MET CA . 50276 1 475 . 1 . 1 159 159 MET CB C 13 32.11 0.000 . 1 . . . . . 159 MET CB . 50276 1 476 . 1 . 1 159 159 MET N N 15 119.144 0.000 . 1 . . . . . 159 MET N . 50276 1 477 . 1 . 1 160 160 GLN H H 1 8.713 0.000 . 1 . . . . . 160 GLN H . 50276 1 478 . 1 . 1 160 160 GLN CA C 13 60.07 0.000 . 1 . . . . . 160 GLN CA . 50276 1 479 . 1 . 1 160 160 GLN CB C 13 27.43 0.000 . 1 . . . . . 160 GLN CB . 50276 1 480 . 1 . 1 160 160 GLN N N 15 119.704 0.000 . 1 . . . . . 160 GLN N . 50276 1 481 . 1 . 1 161 161 VAL H H 1 7.947 0.000 . 1 . . . . . 161 VAL H . 50276 1 482 . 1 . 1 161 161 VAL CA C 13 63.68 0.000 . 1 . . . . . 161 VAL CA . 50276 1 483 . 1 . 1 161 161 VAL CB C 13 31.02 0.000 . 1 . . . . . 161 VAL CB . 50276 1 484 . 1 . 1 161 161 VAL N N 15 117.256 0.000 . 1 . . . . . 161 VAL N . 50276 1 485 . 1 . 1 162 162 LEU H H 1 7.806 0.000 . 1 . . . . . 162 LEU H . 50276 1 486 . 1 . 1 162 162 LEU CA C 13 57.76 0.000 . 1 . . . . . 162 LEU CA . 50276 1 487 . 1 . 1 162 162 LEU CB C 13 41.15 0.000 . 1 . . . . . 162 LEU CB . 50276 1 488 . 1 . 1 162 162 LEU N N 15 117.376 0.000 . 1 . . . . . 162 LEU N . 50276 1 489 . 1 . 1 163 163 VAL H H 1 7.446 0.000 . 1 . . . . . 163 VAL H . 50276 1 490 . 1 . 1 163 163 VAL CA C 13 67.80 0.000 . 1 . . . . . 163 VAL CA . 50276 1 491 . 1 . 1 163 163 VAL CB C 13 30.25 0.000 . 1 . . . . . 163 VAL CB . 50276 1 492 . 1 . 1 163 163 VAL N N 15 120.101 0.000 . 1 . . . . . 163 VAL N . 50276 1 493 . 1 . 1 164 164 SER H H 1 8.225 0.000 . 1 . . . . . 164 SER H . 50276 1 494 . 1 . 1 164 164 SER CA C 13 61.27 0.000 . 1 . . . . . 164 SER CA . 50276 1 495 . 1 . 1 164 164 SER CB C 13 62.47 0.000 . 1 . . . . . 164 SER CB . 50276 1 496 . 1 . 1 164 164 SER N N 15 111.135 0.000 . 1 . . . . . 164 SER N . 50276 1 497 . 1 . 1 165 165 ARG H H 1 6.636 0.000 . 1 . . . . . 165 ARG H . 50276 1 498 . 1 . 1 165 165 ARG CA C 13 58.76 0.000 . 1 . . . . . 165 ARG CA . 50276 1 499 . 1 . 1 165 165 ARG CB C 13 29.67 0.000 . 1 . . . . . 165 ARG CB . 50276 1 500 . 1 . 1 165 165 ARG N N 15 123.266 0.000 . 1 . . . . . 165 ARG N . 50276 1 501 . 1 . 1 167 167 ALA H H 1 7.690 0.000 . 1 . . . . . 167 ALA H . 50276 1 502 . 1 . 1 167 167 ALA CA C 13 55.01 0.000 . 1 . . . . . 167 ALA CA . 50276 1 503 . 1 . 1 167 167 ALA CB C 13 18.12 0.000 . 1 . . . . . 167 ALA CB . 50276 1 504 . 1 . 1 167 167 ALA N N 15 119.644 0.000 . 1 . . . . . 167 ALA N . 50276 1 505 . 1 . 1 168 168 ALA H H 1 7.299 0.000 . 1 . . . . . 168 ALA H . 50276 1 506 . 1 . 1 168 168 ALA CA C 13 55.30 0.000 . 1 . . . . . 168 ALA CA . 50276 1 507 . 1 . 1 168 168 ALA CB C 13 17.64 0.000 . 1 . . . . . 168 ALA CB . 50276 1 508 . 1 . 1 168 168 ALA N N 15 120.813 0.000 . 1 . . . . . 168 ALA N . 50276 1 509 . 1 . 1 169 169 TRP H H 1 8.999 0.000 . 1 . . . . . 169 TRP H . 50276 1 510 . 1 . 1 169 169 TRP CA C 13 57.83 0.000 . 1 . . . . . 169 TRP CA . 50276 1 511 . 1 . 1 169 169 TRP CB C 13 28.75 0.000 . 1 . . . . . 169 TRP CB . 50276 1 512 . 1 . 1 169 169 TRP N N 15 121.616 0.000 . 1 . . . . . 169 TRP N . 50276 1 513 . 1 . 1 170 170 MET H H 1 8.972 0.000 . 1 . . . . . 170 MET H . 50276 1 514 . 1 . 1 170 170 MET CA C 13 60.22 0.000 . 1 . . . . . 170 MET CA . 50276 1 515 . 1 . 1 170 170 MET N N 15 117.507 0.000 . 1 . . . . . 170 MET N . 50276 1 516 . 1 . 1 171 171 ALA H H 1 8.231 0.000 . 1 . . . . . 171 ALA H . 50276 1 517 . 1 . 1 171 171 ALA N N 15 120.967 0.000 . 1 . . . . . 171 ALA N . 50276 1 518 . 1 . 1 172 172 THR H H 1 8.568 0.000 . 1 . . . . . 172 THR H . 50276 1 519 . 1 . 1 172 172 THR CA C 13 67.22 0.000 . 1 . . . . . 172 THR CA . 50276 1 520 . 1 . 1 172 172 THR CB C 13 69.06 0.000 . 1 . . . . . 172 THR CB . 50276 1 521 . 1 . 1 172 172 THR N N 15 116.978 0.000 . 1 . . . . . 172 THR N . 50276 1 522 . 1 . 1 173 173 TYR H H 1 8.888 0.000 . 1 . . . . . 173 TYR H . 50276 1 523 . 1 . 1 173 173 TYR CA C 13 63.49 0.000 . 1 . . . . . 173 TYR CA . 50276 1 524 . 1 . 1 173 173 TYR N N 15 123.658 0.000 . 1 . . . . . 173 TYR N . 50276 1 525 . 1 . 1 174 174 LEU H H 1 8.782 0.000 . 1 . . . . . 174 LEU H . 50276 1 526 . 1 . 1 174 174 LEU CA C 13 59.39 0.000 . 1 . . . . . 174 LEU CA . 50276 1 527 . 1 . 1 174 174 LEU CB C 13 42.86 0.000 . 1 . . . . . 174 LEU CB . 50276 1 528 . 1 . 1 174 174 LEU N N 15 119.793 0.000 . 1 . . . . . 174 LEU N . 50276 1 529 . 1 . 1 175 175 ASN H H 1 8.433 0.000 . 1 . . . . . 175 ASN H . 50276 1 530 . 1 . 1 175 175 ASN CA C 13 56.79 0.000 . 1 . . . . . 175 ASN CA . 50276 1 531 . 1 . 1 175 175 ASN CB C 13 38.59 0.000 . 1 . . . . . 175 ASN CB . 50276 1 532 . 1 . 1 175 175 ASN N N 15 117.572 0.000 . 1 . . . . . 175 ASN N . 50276 1 533 . 1 . 1 177 177 HIS H H 1 8.127 0.000 . 1 . . . . . 177 HIS H . 50276 1 534 . 1 . 1 177 177 HIS CA C 13 56.65 0.000 . 1 . . . . . 177 HIS CA . 50276 1 535 . 1 . 1 177 177 HIS CB C 13 30.63 0.000 . 1 . . . . . 177 HIS CB . 50276 1 536 . 1 . 1 177 177 HIS N N 15 111.995 0.000 . 1 . . . . . 177 HIS N . 50276 1 537 . 1 . 1 178 178 LEU H H 1 7.196 0.000 . 1 . . . . . 178 LEU H . 50276 1 538 . 1 . 1 178 178 LEU CA C 13 55.57 0.000 . 1 . . . . . 178 LEU CA . 50276 1 539 . 1 . 1 178 178 LEU CB C 13 43.16 0.000 . 1 . . . . . 178 LEU CB . 50276 1 540 . 1 . 1 178 178 LEU N N 15 117.193 0.000 . 1 . . . . . 178 LEU N . 50276 1 541 . 1 . 1 179 179 GLU H H 1 8.661 0.000 . 1 . . . . . 179 GLU H . 50276 1 542 . 1 . 1 179 179 GLU CA C 13 60.72 0.000 . 1 . . . . . 179 GLU CA . 50276 1 543 . 1 . 1 179 179 GLU CB C 13 27.58 0.000 . 1 . . . . . 179 GLU CB . 50276 1 544 . 1 . 1 179 179 GLU N N 15 121.864 0.000 . 1 . . . . . 179 GLU N . 50276 1 545 . 1 . 1 181 181 TRP H H 1 7.088 0.000 . 1 . . . . . 181 TRP H . 50276 1 546 . 1 . 1 181 181 TRP CA C 13 62.13 0.000 . 1 . . . . . 181 TRP CA . 50276 1 547 . 1 . 1 181 181 TRP CB C 13 28.65 0.000 . 1 . . . . . 181 TRP CB . 50276 1 548 . 1 . 1 181 181 TRP N N 15 118.106 0.000 . 1 . . . . . 181 TRP N . 50276 1 549 . 1 . 1 182 182 ILE H H 1 8.438 0.000 . 1 . . . . . 182 ILE H . 50276 1 550 . 1 . 1 182 182 ILE CA C 13 66.17 0.000 . 1 . . . . . 182 ILE CA . 50276 1 551 . 1 . 1 182 182 ILE CB C 13 37.98 0.000 . 1 . . . . . 182 ILE CB . 50276 1 552 . 1 . 1 182 182 ILE N N 15 122.545 0.000 . 1 . . . . . 182 ILE N . 50276 1 553 . 1 . 1 183 183 GLN H H 1 8.414 0.000 . 1 . . . . . 183 GLN H . 50276 1 554 . 1 . 1 183 183 GLN CA C 13 58.48 0.000 . 1 . . . . . 183 GLN CA . 50276 1 555 . 1 . 1 183 183 GLN CB C 13 27.88 0.000 . 1 . . . . . 183 GLN CB . 50276 1 556 . 1 . 1 183 183 GLN N N 15 116.594 0.000 . 1 . . . . . 183 GLN N . 50276 1 557 . 1 . 1 184 184 GLU H H 1 7.525 0.000 . 1 . . . . . 184 GLU H . 50276 1 558 . 1 . 1 184 184 GLU N N 15 119.092 0.000 . 1 . . . . . 184 GLU N . 50276 1 559 . 1 . 1 185 185 ASN H H 1 7.132 0.000 . 1 . . . . . 185 ASN H . 50276 1 560 . 1 . 1 185 185 ASN CA C 13 53.58 0.000 . 1 . . . . . 185 ASN CA . 50276 1 561 . 1 . 1 185 185 ASN CB C 13 37.98 0.000 . 1 . . . . . 185 ASN CB . 50276 1 562 . 1 . 1 185 185 ASN N N 15 117.042 0.000 . 1 . . . . . 185 ASN N . 50276 1 563 . 1 . 1 186 186 GLY H H 1 7.410 0.000 . 1 . . . . . 186 GLY H . 50276 1 564 . 1 . 1 186 186 GLY CA C 13 45.69 0.000 . 1 . . . . . 186 GLY CA . 50276 1 565 . 1 . 1 186 186 GLY N N 15 105.260 0.000 . 1 . . . . . 186 GLY N . 50276 1 566 . 1 . 1 187 187 GLY H H 1 8.502 0.000 . 1 . . . . . 187 GLY H . 50276 1 567 . 1 . 1 187 187 GLY CA C 13 44.45 0.000 . 1 . . . . . 187 GLY CA . 50276 1 568 . 1 . 1 187 187 GLY N N 15 108.547 0.000 . 1 . . . . . 187 GLY N . 50276 1 569 . 1 . 1 188 188 TRP H H 1 8.684 0.000 . 1 . . . . . 188 TRP H . 50276 1 570 . 1 . 1 188 188 TRP CA C 13 60.33 0.000 . 1 . . . . . 188 TRP CA . 50276 1 571 . 1 . 1 188 188 TRP CB C 13 29.66 0.000 . 1 . . . . . 188 TRP CB . 50276 1 572 . 1 . 1 188 188 TRP N N 15 118.271 0.000 . 1 . . . . . 188 TRP N . 50276 1 573 . 1 . 1 189 189 ASP H H 1 8.882 0.000 . 1 . . . . . 189 ASP H . 50276 1 574 . 1 . 1 189 189 ASP CA C 13 57.83 0.000 . 1 . . . . . 189 ASP CA . 50276 1 575 . 1 . 1 189 189 ASP CB C 13 40.35 0.000 . 1 . . . . . 189 ASP CB . 50276 1 576 . 1 . 1 189 189 ASP N N 15 117.843 0.000 . 1 . . . . . 189 ASP N . 50276 1 577 . 1 . 1 190 190 THR H H 1 7.496 0.000 . 1 . . . . . 190 THR H . 50276 1 578 . 1 . 1 190 190 THR CA C 13 66.35 0.000 . 1 . . . . . 190 THR CA . 50276 1 579 . 1 . 1 190 190 THR CB C 13 68.42 0.000 . 1 . . . . . 190 THR CB . 50276 1 580 . 1 . 1 190 190 THR N N 15 116.422 0.000 . 1 . . . . . 190 THR N . 50276 1 581 . 1 . 1 191 191 PHE H H 1 6.584 0.000 . 1 . . . . . 191 PHE H . 50276 1 582 . 1 . 1 191 191 PHE CA C 13 61.74 0.000 . 1 . . . . . 191 PHE CA . 50276 1 583 . 1 . 1 191 191 PHE N N 15 122.122 0.000 . 1 . . . . . 191 PHE N . 50276 1 584 . 1 . 1 192 192 VAL H H 1 7.806 0.000 . 1 . . . . . 192 VAL H . 50276 1 585 . 1 . 1 192 192 VAL CA C 13 66.75 0.000 . 1 . . . . . 192 VAL CA . 50276 1 586 . 1 . 1 192 192 VAL CB C 13 30.99 0.000 . 1 . . . . . 192 VAL CB . 50276 1 587 . 1 . 1 192 192 VAL N N 15 117.376 0.000 . 1 . . . . . 192 VAL N . 50276 1 588 . 1 . 1 193 193 GLU H H 1 7.518 0.000 . 1 . . . . . 193 GLU H . 50276 1 589 . 1 . 1 193 193 GLU CA C 13 59.15 0.000 . 1 . . . . . 193 GLU CA . 50276 1 590 . 1 . 1 193 193 GLU CB C 13 29.29 0.000 . 1 . . . . . 193 GLU CB . 50276 1 591 . 1 . 1 193 193 GLU N N 15 120.500 0.000 . 1 . . . . . 193 GLU N . 50276 1 592 . 1 . 1 194 194 LEU H H 1 7.608 0.000 . 1 . . . . . 194 LEU H . 50276 1 593 . 1 . 1 194 194 LEU CA C 13 56.78 0.000 . 1 . . . . . 194 LEU CA . 50276 1 594 . 1 . 1 194 194 LEU CB C 13 43.81 0.000 . 1 . . . . . 194 LEU CB . 50276 1 595 . 1 . 1 194 194 LEU N N 15 117.268 0.000 . 1 . . . . . 194 LEU N . 50276 1 596 . 1 . 1 195 195 TYR H H 1 8.125 0.000 . 1 . . . . . 195 TYR H . 50276 1 597 . 1 . 1 195 195 TYR CA C 13 59.46 0.000 . 1 . . . . . 195 TYR CA . 50276 1 598 . 1 . 1 195 195 TYR CB C 13 39.06 0.000 . 1 . . . . . 195 TYR CB . 50276 1 599 . 1 . 1 195 195 TYR N N 15 115.537 0.000 . 1 . . . . . 195 TYR N . 50276 1 600 . 1 . 1 196 196 GLY H H 1 8.076 0.000 . 1 . . . . . 196 GLY H . 50276 1 601 . 1 . 1 196 196 GLY CA C 13 45.57 0.000 . 1 . . . . . 196 GLY CA . 50276 1 602 . 1 . 1 196 196 GLY N N 15 108.583 0.000 . 1 . . . . . 196 GLY N . 50276 1 603 . 1 . 1 197 197 ASN H H 1 8.405 0.000 . 1 . . . . . 197 ASN H . 50276 1 604 . 1 . 1 197 197 ASN CA C 13 53.78 0.000 . 1 . . . . . 197 ASN CA . 50276 1 605 . 1 . 1 197 197 ASN CB C 13 38.57 0.000 . 1 . . . . . 197 ASN CB . 50276 1 606 . 1 . 1 197 197 ASN N N 15 118.552 0.000 . 1 . . . . . 197 ASN N . 50276 1 607 . 1 . 1 198 198 ASN H H 1 8.390 0.000 . 1 . . . . . 198 ASN H . 50276 1 608 . 1 . 1 198 198 ASN CA C 13 55.17 0.000 . 1 . . . . . 198 ASN CA . 50276 1 609 . 1 . 1 198 198 ASN CB C 13 38.66 0.000 . 1 . . . . . 198 ASN CB . 50276 1 610 . 1 . 1 198 198 ASN N N 15 119.166 0.000 . 1 . . . . . 198 ASN N . 50276 1 611 . 1 . 1 199 199 ALA H H 1 8.121 0.000 . 1 . . . . . 199 ALA H . 50276 1 612 . 1 . 1 199 199 ALA CA C 13 53.21 0.000 . 1 . . . . . 199 ALA CA . 50276 1 613 . 1 . 1 199 199 ALA CB C 13 19.18 0.000 . 1 . . . . . 199 ALA CB . 50276 1 614 . 1 . 1 199 199 ALA N N 15 123.502 0.000 . 1 . . . . . 199 ALA N . 50276 1 615 . 1 . 1 200 200 ALA H H 1 8.091 0.000 . 1 . . . . . 200 ALA H . 50276 1 616 . 1 . 1 200 200 ALA CA C 13 53.24 0.000 . 1 . . . . . 200 ALA CA . 50276 1 617 . 1 . 1 200 200 ALA CB C 13 18.57 0.000 . 1 . . . . . 200 ALA CB . 50276 1 618 . 1 . 1 200 200 ALA N N 15 121.753 0.000 . 1 . . . . . 200 ALA N . 50276 1 619 . 1 . 1 201 201 ALA H H 1 7.996 0.000 . 1 . . . . . 201 ALA H . 50276 1 620 . 1 . 1 201 201 ALA CA C 13 53.67 0.000 . 1 . . . . . 201 ALA CA . 50276 1 621 . 1 . 1 201 201 ALA CB C 13 18.64 0.000 . 1 . . . . . 201 ALA CB . 50276 1 622 . 1 . 1 201 201 ALA N N 15 122.517 0.000 . 1 . . . . . 201 ALA N . 50276 1 623 . 1 . 1 202 202 GLU H H 1 8.282 0.000 . 1 . . . . . 202 GLU H . 50276 1 624 . 1 . 1 202 202 GLU CA C 13 57.88 0.000 . 1 . . . . . 202 GLU CA . 50276 1 625 . 1 . 1 202 202 GLU CB C 13 29.59 0.000 . 1 . . . . . 202 GLU CB . 50276 1 626 . 1 . 1 202 202 GLU N N 15 118.540 0.000 . 1 . . . . . 202 GLU N . 50276 1 627 . 1 . 1 203 203 SER H H 1 8.041 0.000 . 1 . . . . . 203 SER H . 50276 1 628 . 1 . 1 203 203 SER CA C 13 59.24 0.000 . 1 . . . . . 203 SER CA . 50276 1 629 . 1 . 1 203 203 SER CB C 13 63.47 0.000 . 1 . . . . . 203 SER CB . 50276 1 630 . 1 . 1 203 203 SER N N 15 115.223 0.000 . 1 . . . . . 203 SER N . 50276 1 631 . 1 . 1 204 204 ARG H H 1 7.983 0.000 . 1 . . . . . 204 ARG H . 50276 1 632 . 1 . 1 204 204 ARG CA C 13 56.75 0.000 . 1 . . . . . 204 ARG CA . 50276 1 633 . 1 . 1 204 204 ARG CB C 13 30.40 0.000 . 1 . . . . . 204 ARG CB . 50276 1 634 . 1 . 1 204 204 ARG N N 15 121.801 0.000 . 1 . . . . . 204 ARG N . 50276 1 635 . 1 . 1 205 205 LYS H H 1 8.230 0.000 . 1 . . . . . 205 LYS H . 50276 1 636 . 1 . 1 205 205 LYS CA C 13 57.14 0.000 . 1 . . . . . 205 LYS CA . 50276 1 637 . 1 . 1 205 205 LYS CB C 13 32.66 0.000 . 1 . . . . . 205 LYS CB . 50276 1 638 . 1 . 1 205 205 LYS N N 15 121.560 0.000 . 1 . . . . . 205 LYS N . 50276 1 639 . 1 . 1 206 206 GLY H H 1 8.403 0.000 . 1 . . . . . 206 GLY H . 50276 1 640 . 1 . 1 206 206 GLY CA C 13 45.58 0.000 . 1 . . . . . 206 GLY CA . 50276 1 641 . 1 . 1 206 206 GLY N N 15 109.571 0.000 . 1 . . . . . 206 GLY N . 50276 1 642 . 1 . 1 208 208 GLU H H 1 8.487 0.000 . 1 . . . . . 208 GLU H . 50276 1 643 . 1 . 1 208 208 GLU CA C 13 57.19 0.000 . 1 . . . . . 208 GLU CA . 50276 1 644 . 1 . 1 208 208 GLU CB C 13 29.71 0.000 . 1 . . . . . 208 GLU CB . 50276 1 645 . 1 . 1 208 208 GLU N N 15 121.616 0.000 . 1 . . . . . 208 GLU N . 50276 1 646 . 1 . 1 211 211 ASN CA C 13 53.24 0.000 . 1 . . . . . 211 ASN CA . 50276 1 647 . 1 . 1 211 211 ASN CB C 13 39.08 0.000 . 1 . . . . . 211 ASN CB . 50276 1 648 . 1 . 1 212 212 ARG H H 1 7.760 0.000 . 1 . . . . . 212 ARG H . 50276 1 649 . 1 . 1 212 212 ARG CA C 13 57.43 0.000 . 1 . . . . . 212 ARG CA . 50276 1 650 . 1 . 1 212 212 ARG CB C 13 31.44 0.000 . 1 . . . . . 212 ARG CB . 50276 1 651 . 1 . 1 212 212 ARG N N 15 125.781 0.000 . 1 . . . . . 212 ARG N . 50276 1 stop_ save_