data_52884 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52884 _Entry.Title ; Backbone resonance assignments of the human Bcl-2 in micelles ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-01-23 _Entry.Accession_date 2025-01-23 _Entry.Last_release_date 2025-01-23 _Entry.Original_release_date 2025-01-23 _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 'Tamas Milan' Nagy . . . 0000-0003-4766-1992 52884 2 'Ameeq Ul' Mushtaq . . . . 52884 3 Jorgen Aden . . . . 52884 4 Gerhard Grobner . . . . 52884 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52884 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 315 52884 '15N chemical shifts' 132 52884 '1H chemical shifts' 188 52884 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 . . 2025-07-03 . original BMRB . 52884 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52884 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; The Human Bcl-2 Interacts with Apo hSOD1 and Its Disease-Related mutants ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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 'Tamas Milan' Nagy . . . . 52884 1 2 'Ameeq Ul' Mushtaq . . . . 52884 1 3 Jorgen Aden . . . . 52884 1 4 Chloe Williams . . . . 52884 1 5 Sophie Ayscough . . . . 52884 1 6 Jonathan Gilthorpe . . . . 52884 1 7 Luke 'E. Clifton' . . . . 52884 1 8 Gerhard Grobner . . . . 52884 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52884 _Assembly.ID 1 _Assembly.Name Bcl-2 _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-2 1 $entity_1 . . yes native no no . . . 52884 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52884 _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 ; MAHAGRTGYDNREIVMKYIH YKLSQRGYEWDAGDVGAAPP GAAPAPGIFSSQPGHTPHPA ASRDPVARTSPLQTPAAPGA AAGPALSPVPPVVHLTLRQA GDDFSRRYRRDFAEMSSQLH LTPFTARGRFATVVEELFRD GVNWGRIVAFFEFGGVMCVE SVNREMSPLVDNIALWMTEY LNRHLHTWIQDNGGWDAFVE LYGPSMRPLFDFSWLSLKTL LSLALVGACITLGAYLGHK ; _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 239 _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 . 52884 1 2 . ALA . 52884 1 3 . HIS . 52884 1 4 . ALA . 52884 1 5 . GLY . 52884 1 6 . ARG . 52884 1 7 . THR . 52884 1 8 . GLY . 52884 1 9 . TYR . 52884 1 10 . ASP . 52884 1 11 . ASN . 52884 1 12 . ARG . 52884 1 13 . GLU . 52884 1 14 . ILE . 52884 1 15 . VAL . 52884 1 16 . MET . 52884 1 17 . LYS . 52884 1 18 . TYR . 52884 1 19 . ILE . 52884 1 20 . HIS . 52884 1 21 . TYR . 52884 1 22 . LYS . 52884 1 23 . LEU . 52884 1 24 . SER . 52884 1 25 . GLN . 52884 1 26 . ARG . 52884 1 27 . GLY . 52884 1 28 . TYR . 52884 1 29 . GLU . 52884 1 30 . TRP . 52884 1 31 . ASP . 52884 1 32 . ALA . 52884 1 33 . GLY . 52884 1 34 . ASP . 52884 1 35 . VAL . 52884 1 36 . GLY . 52884 1 37 . ALA . 52884 1 38 . ALA . 52884 1 39 . PRO . 52884 1 40 . PRO . 52884 1 41 . GLY . 52884 1 42 . ALA . 52884 1 43 . ALA . 52884 1 44 . PRO . 52884 1 45 . ALA . 52884 1 46 . PRO . 52884 1 47 . GLY . 52884 1 48 . ILE . 52884 1 49 . PHE . 52884 1 50 . SER . 52884 1 51 . SER . 52884 1 52 . GLN . 52884 1 53 . PRO . 52884 1 54 . GLY . 52884 1 55 . HIS . 52884 1 56 . THR . 52884 1 57 . PRO . 52884 1 58 . HIS . 52884 1 59 . PRO . 52884 1 60 . ALA . 52884 1 61 . ALA . 52884 1 62 . SER . 52884 1 63 . ARG . 52884 1 64 . ASP . 52884 1 65 . PRO . 52884 1 66 . VAL . 52884 1 67 . ALA . 52884 1 68 . ARG . 52884 1 69 . THR . 52884 1 70 . SER . 52884 1 71 . PRO . 52884 1 72 . LEU . 52884 1 73 . GLN . 52884 1 74 . THR . 52884 1 75 . PRO . 52884 1 76 . ALA . 52884 1 77 . ALA . 52884 1 78 . PRO . 52884 1 79 . GLY . 52884 1 80 . ALA . 52884 1 81 . ALA . 52884 1 82 . ALA . 52884 1 83 . GLY . 52884 1 84 . PRO . 52884 1 85 . ALA . 52884 1 86 . LEU . 52884 1 87 . SER . 52884 1 88 . PRO . 52884 1 89 . VAL . 52884 1 90 . PRO . 52884 1 91 . PRO . 52884 1 92 . VAL . 52884 1 93 . VAL . 52884 1 94 . HIS . 52884 1 95 . LEU . 52884 1 96 . THR . 52884 1 97 . LEU . 52884 1 98 . ARG . 52884 1 99 . GLN . 52884 1 100 . ALA . 52884 1 101 . GLY . 52884 1 102 . ASP . 52884 1 103 . ASP . 52884 1 104 . PHE . 52884 1 105 . SER . 52884 1 106 . ARG . 52884 1 107 . ARG . 52884 1 108 . TYR . 52884 1 109 . ARG . 52884 1 110 . ARG . 52884 1 111 . ASP . 52884 1 112 . PHE . 52884 1 113 . ALA . 52884 1 114 . GLU . 52884 1 115 . MET . 52884 1 116 . SER . 52884 1 117 . SER . 52884 1 118 . GLN . 52884 1 119 . LEU . 52884 1 120 . HIS . 52884 1 121 . LEU . 52884 1 122 . THR . 52884 1 123 . PRO . 52884 1 124 . PHE . 52884 1 125 . THR . 52884 1 126 . ALA . 52884 1 127 . ARG . 52884 1 128 . GLY . 52884 1 129 . ARG . 52884 1 130 . PHE . 52884 1 131 . ALA . 52884 1 132 . THR . 52884 1 133 . VAL . 52884 1 134 . VAL . 52884 1 135 . GLU . 52884 1 136 . GLU . 52884 1 137 . LEU . 52884 1 138 . PHE . 52884 1 139 . ARG . 52884 1 140 . ASP . 52884 1 141 . GLY . 52884 1 142 . VAL . 52884 1 143 . ASN . 52884 1 144 . TRP . 52884 1 145 . GLY . 52884 1 146 . ARG . 52884 1 147 . ILE . 52884 1 148 . VAL . 52884 1 149 . ALA . 52884 1 150 . PHE . 52884 1 151 . PHE . 52884 1 152 . GLU . 52884 1 153 . PHE . 52884 1 154 . GLY . 52884 1 155 . GLY . 52884 1 156 . VAL . 52884 1 157 . MET . 52884 1 158 . CYS . 52884 1 159 . VAL . 52884 1 160 . GLU . 52884 1 161 . SER . 52884 1 162 . VAL . 52884 1 163 . ASN . 52884 1 164 . ARG . 52884 1 165 . GLU . 52884 1 166 . MET . 52884 1 167 . SER . 52884 1 168 . PRO . 52884 1 169 . LEU . 52884 1 170 . VAL . 52884 1 171 . ASP . 52884 1 172 . ASN . 52884 1 173 . ILE . 52884 1 174 . ALA . 52884 1 175 . LEU . 52884 1 176 . TRP . 52884 1 177 . MET . 52884 1 178 . THR . 52884 1 179 . GLU . 52884 1 180 . TYR . 52884 1 181 . LEU . 52884 1 182 . ASN . 52884 1 183 . ARG . 52884 1 184 . HIS . 52884 1 185 . LEU . 52884 1 186 . HIS . 52884 1 187 . THR . 52884 1 188 . TRP . 52884 1 189 . ILE . 52884 1 190 . GLN . 52884 1 191 . ASP . 52884 1 192 . ASN . 52884 1 193 . GLY . 52884 1 194 . GLY . 52884 1 195 . TRP . 52884 1 196 . ASP . 52884 1 197 . ALA . 52884 1 198 . PHE . 52884 1 199 . VAL . 52884 1 200 . GLU . 52884 1 201 . LEU . 52884 1 202 . TYR . 52884 1 203 . GLY . 52884 1 204 . PRO . 52884 1 205 . SER . 52884 1 206 . MET . 52884 1 207 . ARG . 52884 1 208 . PRO . 52884 1 209 . LEU . 52884 1 210 . PHE . 52884 1 211 . ASP . 52884 1 212 . PHE . 52884 1 213 . SER . 52884 1 214 . TRP . 52884 1 215 . LEU . 52884 1 216 . SER . 52884 1 217 . LEU . 52884 1 218 . LYS . 52884 1 219 . THR . 52884 1 220 . LEU . 52884 1 221 . LEU . 52884 1 222 . SER . 52884 1 223 . LEU . 52884 1 224 . ALA . 52884 1 225 . LEU . 52884 1 226 . VAL . 52884 1 227 . GLY . 52884 1 228 . ALA . 52884 1 229 . CYS . 52884 1 230 . ILE . 52884 1 231 . THR . 52884 1 232 . LEU . 52884 1 233 . GLY . 52884 1 234 . ALA . 52884 1 235 . TYR . 52884 1 236 . LEU . 52884 1 237 . GLY . 52884 1 238 . HIS . 52884 1 239 . LYS . 52884 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 52884 1 . ALA 2 2 52884 1 . HIS 3 3 52884 1 . ALA 4 4 52884 1 . GLY 5 5 52884 1 . ARG 6 6 52884 1 . THR 7 7 52884 1 . GLY 8 8 52884 1 . TYR 9 9 52884 1 . ASP 10 10 52884 1 . ASN 11 11 52884 1 . ARG 12 12 52884 1 . GLU 13 13 52884 1 . ILE 14 14 52884 1 . VAL 15 15 52884 1 . MET 16 16 52884 1 . LYS 17 17 52884 1 . TYR 18 18 52884 1 . ILE 19 19 52884 1 . HIS 20 20 52884 1 . TYR 21 21 52884 1 . LYS 22 22 52884 1 . LEU 23 23 52884 1 . SER 24 24 52884 1 . GLN 25 25 52884 1 . ARG 26 26 52884 1 . GLY 27 27 52884 1 . TYR 28 28 52884 1 . GLU 29 29 52884 1 . TRP 30 30 52884 1 . ASP 31 31 52884 1 . ALA 32 32 52884 1 . GLY 33 33 52884 1 . ASP 34 34 52884 1 . VAL 35 35 52884 1 . GLY 36 36 52884 1 . ALA 37 37 52884 1 . ALA 38 38 52884 1 . PRO 39 39 52884 1 . PRO 40 40 52884 1 . GLY 41 41 52884 1 . ALA 42 42 52884 1 . ALA 43 43 52884 1 . PRO 44 44 52884 1 . ALA 45 45 52884 1 . PRO 46 46 52884 1 . GLY 47 47 52884 1 . ILE 48 48 52884 1 . PHE 49 49 52884 1 . SER 50 50 52884 1 . SER 51 51 52884 1 . GLN 52 52 52884 1 . PRO 53 53 52884 1 . GLY 54 54 52884 1 . HIS 55 55 52884 1 . THR 56 56 52884 1 . PRO 57 57 52884 1 . HIS 58 58 52884 1 . PRO 59 59 52884 1 . ALA 60 60 52884 1 . ALA 61 61 52884 1 . SER 62 62 52884 1 . ARG 63 63 52884 1 . ASP 64 64 52884 1 . PRO 65 65 52884 1 . VAL 66 66 52884 1 . ALA 67 67 52884 1 . ARG 68 68 52884 1 . THR 69 69 52884 1 . SER 70 70 52884 1 . PRO 71 71 52884 1 . LEU 72 72 52884 1 . GLN 73 73 52884 1 . THR 74 74 52884 1 . PRO 75 75 52884 1 . ALA 76 76 52884 1 . ALA 77 77 52884 1 . PRO 78 78 52884 1 . GLY 79 79 52884 1 . ALA 80 80 52884 1 . ALA 81 81 52884 1 . ALA 82 82 52884 1 . GLY 83 83 52884 1 . PRO 84 84 52884 1 . ALA 85 85 52884 1 . LEU 86 86 52884 1 . SER 87 87 52884 1 . PRO 88 88 52884 1 . VAL 89 89 52884 1 . PRO 90 90 52884 1 . PRO 91 91 52884 1 . VAL 92 92 52884 1 . VAL 93 93 52884 1 . HIS 94 94 52884 1 . LEU 95 95 52884 1 . THR 96 96 52884 1 . LEU 97 97 52884 1 . ARG 98 98 52884 1 . GLN 99 99 52884 1 . ALA 100 100 52884 1 . GLY 101 101 52884 1 . ASP 102 102 52884 1 . ASP 103 103 52884 1 . PHE 104 104 52884 1 . SER 105 105 52884 1 . ARG 106 106 52884 1 . ARG 107 107 52884 1 . TYR 108 108 52884 1 . ARG 109 109 52884 1 . ARG 110 110 52884 1 . ASP 111 111 52884 1 . PHE 112 112 52884 1 . ALA 113 113 52884 1 . GLU 114 114 52884 1 . MET 115 115 52884 1 . SER 116 116 52884 1 . SER 117 117 52884 1 . GLN 118 118 52884 1 . LEU 119 119 52884 1 . HIS 120 120 52884 1 . LEU 121 121 52884 1 . THR 122 122 52884 1 . PRO 123 123 52884 1 . PHE 124 124 52884 1 . THR 125 125 52884 1 . ALA 126 126 52884 1 . ARG 127 127 52884 1 . GLY 128 128 52884 1 . ARG 129 129 52884 1 . PHE 130 130 52884 1 . ALA 131 131 52884 1 . THR 132 132 52884 1 . VAL 133 133 52884 1 . VAL 134 134 52884 1 . GLU 135 135 52884 1 . GLU 136 136 52884 1 . LEU 137 137 52884 1 . PHE 138 138 52884 1 . ARG 139 139 52884 1 . ASP 140 140 52884 1 . GLY 141 141 52884 1 . VAL 142 142 52884 1 . ASN 143 143 52884 1 . TRP 144 144 52884 1 . GLY 145 145 52884 1 . ARG 146 146 52884 1 . ILE 147 147 52884 1 . VAL 148 148 52884 1 . ALA 149 149 52884 1 . PHE 150 150 52884 1 . PHE 151 151 52884 1 . GLU 152 152 52884 1 . PHE 153 153 52884 1 . GLY 154 154 52884 1 . GLY 155 155 52884 1 . VAL 156 156 52884 1 . MET 157 157 52884 1 . CYS 158 158 52884 1 . VAL 159 159 52884 1 . GLU 160 160 52884 1 . SER 161 161 52884 1 . VAL 162 162 52884 1 . ASN 163 163 52884 1 . ARG 164 164 52884 1 . GLU 165 165 52884 1 . MET 166 166 52884 1 . SER 167 167 52884 1 . PRO 168 168 52884 1 . LEU 169 169 52884 1 . VAL 170 170 52884 1 . ASP 171 171 52884 1 . ASN 172 172 52884 1 . ILE 173 173 52884 1 . ALA 174 174 52884 1 . LEU 175 175 52884 1 . TRP 176 176 52884 1 . MET 177 177 52884 1 . THR 178 178 52884 1 . GLU 179 179 52884 1 . TYR 180 180 52884 1 . LEU 181 181 52884 1 . ASN 182 182 52884 1 . ARG 183 183 52884 1 . HIS 184 184 52884 1 . LEU 185 185 52884 1 . HIS 186 186 52884 1 . THR 187 187 52884 1 . TRP 188 188 52884 1 . ILE 189 189 52884 1 . GLN 190 190 52884 1 . ASP 191 191 52884 1 . ASN 192 192 52884 1 . GLY 193 193 52884 1 . GLY 194 194 52884 1 . TRP 195 195 52884 1 . ASP 196 196 52884 1 . ALA 197 197 52884 1 . PHE 198 198 52884 1 . VAL 199 199 52884 1 . GLU 200 200 52884 1 . LEU 201 201 52884 1 . TYR 202 202 52884 1 . GLY 203 203 52884 1 . PRO 204 204 52884 1 . SER 205 205 52884 1 . MET 206 206 52884 1 . ARG 207 207 52884 1 . PRO 208 208 52884 1 . LEU 209 209 52884 1 . PHE 210 210 52884 1 . ASP 211 211 52884 1 . PHE 212 212 52884 1 . SER 213 213 52884 1 . TRP 214 214 52884 1 . LEU 215 215 52884 1 . SER 216 216 52884 1 . LEU 217 217 52884 1 . LYS 218 218 52884 1 . THR 219 219 52884 1 . LEU 220 220 52884 1 . LEU 221 221 52884 1 . SER 222 222 52884 1 . LEU 223 223 52884 1 . ALA 224 224 52884 1 . LEU 225 225 52884 1 . VAL 226 226 52884 1 . GLY 227 227 52884 1 . ALA 228 228 52884 1 . CYS 229 229 52884 1 . ILE 230 230 52884 1 . THR 231 231 52884 1 . LEU 232 232 52884 1 . GLY 233 233 52884 1 . ALA 234 234 52884 1 . TYR 235 235 52884 1 . LEU 236 236 52884 1 . GLY 237 237 52884 1 . HIS 238 238 52884 1 . LYS 239 239 52884 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 52884 _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 . . . . . . . . . . . . . 52884 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 52884 _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 . . pET-15b . . . 52884 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52884 _Sample.ID 1 _Sample.Name Bcl-2 _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-2 '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $entity_1 . . 0.4 . . mM . . . . 52884 1 2 DPC '[U-99% 2H]' . . . . . . 5 . . mM . . . . 52884 1 3 PBS 'natural abundance' . . . . . . 20 . . mM . . . . 52884 1 4 TCFP 'natural abundance' . . . . . . 5 . . mM . . . . 52884 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 52884 _Sample_condition_list.ID 1 _Sample_condition_list.Name Bcl-2 _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' 20 . mM 52884 1 pH 6 . pH 52884 1 pressure 1 . atm 52884 1 temperature 328 . K 52884 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52884 _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 . 52884 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52884 _Software.ID 2 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52884 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 52884 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance 850-MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 52884 _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 . . . . . . . . . . . . . . . . . 52884 1 2 '2D 1H-15N TROSY' no no yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52884 1 3 '3D HNCO' no yes yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52884 1 4 '3D HN(CA)CO' no yes yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52884 1 5 '3D HNCA' no yes yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52884 1 6 '3D HN(CO)CA' no yes yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52884 1 7 '3D CBCANH' no yes yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52884 1 8 '3D HN(CO)CACB' no yes yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52884 1 9 '3D 1H-15N TOCSY' no yes yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52884 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 52884 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name Bcl-2 _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 na 'methyl carbon' . . . . ppm 0 internal direct 1 . . . . . 52884 1 H 1 water protons . . . . ppm 4.5 internal direct 1 . . . . . 52884 1 N 15 na nitrogen . . . . ppm 0 internal direct 1 . . . . . 52884 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 52884 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Bcl-2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '2D 1H-15N TROSY' . . . 52884 1 3 '3D HNCO' . . . 52884 1 4 '3D HN(CA)CO' . . . 52884 1 5 '3D HNCA' . . . 52884 1 6 '3D HN(CO)CA' . . . 52884 1 7 '3D CBCANH' . . . 52884 1 8 '3D HN(CO)CACB' . . . 52884 1 9 '3D 1H-15N TOCSY' . . . 52884 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 . . 52884 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 MET H H 1 8.206754193 0 . . . . . . . 1 M H . 52884 1 2 . 1 . 1 1 1 MET N N 15 120.2700085 0 . . . . . . . 1 M N . 52884 1 3 . 1 . 1 2 2 ALA H H 1 8.205440772 0 . . . . . . . 2 A H . 52884 1 4 . 1 . 1 2 2 ALA C C 13 173.1457587 0 . . . . . . . 2 A C . 52884 1 5 . 1 . 1 2 2 ALA CA C 13 47.4804808 0 . . . . . . . 2 A CA . 52884 1 6 . 1 . 1 2 2 ALA CB C 13 15.70673201 0 . . . . . . . 2 A CB . 52884 1 7 . 1 . 1 2 2 ALA N N 15 124.3746299 0 . . . . . . . 2 A N . 52884 1 8 . 1 . 1 3 3 HIS H H 1 8.078604564 0 . . . . . . . 3 H H . 52884 1 9 . 1 . 1 3 3 HIS N N 15 120.2515497 0 . . . . . . . 3 H N . 52884 1 10 . 1 . 1 7 7 THR H H 1 8.313224601 0 . . . . . . . 7 T H . 52884 1 11 . 1 . 1 7 7 THR CA C 13 59.76415095 0 . . . . . . . 7 T CA . 52884 1 12 . 1 . 1 7 7 THR CB C 13 67.10115421 0 . . . . . . . 7 T CB . 52884 1 13 . 1 . 1 7 7 THR N N 15 114.9001059 0 . . . . . . . 7 T N . 52884 1 14 . 1 . 1 8 8 GLY H H 1 8.423581456 0 . . . . . . . 8 G H . 52884 1 15 . 1 . 1 8 8 GLY HA2 H 1 4.1109535 0 . . . . . . . 8 G HA . 52884 1 16 . 1 . 1 8 8 GLY HA3 H 1 4.1109535 0 . . . . . . . 8 G HA . 52884 1 17 . 1 . 1 8 8 GLY CA C 13 42.79851549 0 . . . . . . . 8 G CA . 52884 1 18 . 1 . 1 8 8 GLY N N 15 110.7168322 0 . . . . . . . 8 G N . 52884 1 19 . 1 . 1 9 9 TYR H H 1 8.152643927 0 . . . . . . . 9 Y H . 52884 1 20 . 1 . 1 9 9 TYR C C 13 173.1746713 0 . . . . . . . 9 Y C . 52884 1 21 . 1 . 1 9 9 TYR CA C 13 55.48692895 0 . . . . . . . 9 Y CA . 52884 1 22 . 1 . 1 9 9 TYR CB C 13 35.97357007 0 . . . . . . . 9 Y CB . 52884 1 23 . 1 . 1 9 9 TYR N N 15 119.9920552 0 . . . . . . . 9 Y N . 52884 1 24 . 1 . 1 10 10 ASP H H 1 8.471903116 0 . . . . . . . 10 D H . 52884 1 25 . 1 . 1 10 10 ASP C C 13 174.0774729 0 . . . . . . . 10 D C . 52884 1 26 . 1 . 1 10 10 ASP CA C 13 51.68806925 0 . . . . . . . 10 D CA . 52884 1 27 . 1 . 1 10 10 ASP CB C 13 38.38649249 0 . . . . . . . 10 D CB . 52884 1 28 . 1 . 1 10 10 ASP N N 15 120.9323587 0 . . . . . . . 10 D N . 52884 1 29 . 1 . 1 11 11 ASN H H 1 8.443962963 0 . . . . . . . 11 N H . 52884 1 30 . 1 . 1 11 11 ASN C C 13 173.9445612 0 . . . . . . . 11 N C . 52884 1 31 . 1 . 1 11 11 ASN CB C 13 36.11988192 0 . . . . . . . 11 N CB . 52884 1 32 . 1 . 1 11 11 ASN N N 15 119.6712763 0 . . . . . . . 11 N N . 52884 1 33 . 1 . 1 13 13 GLU CA C 13 56.69635155 0 . . . . . . . 13 E CA . 52884 1 34 . 1 . 1 13 13 GLU CB C 13 26.41522394 0 . . . . . . . 13 E CB . 52884 1 35 . 1 . 1 14 14 ILE H H 1 7.923768831 0 . . . . . . . 14 I H . 52884 1 36 . 1 . 1 14 14 ILE C C 13 175.5386339 0 . . . . . . . 14 I C . 52884 1 37 . 1 . 1 14 14 ILE CA C 13 61.3356755 0 . . . . . . . 14 I CA . 52884 1 38 . 1 . 1 14 14 ILE CB C 13 34.50160703 0 . . . . . . . 14 I CB . 52884 1 39 . 1 . 1 14 14 ILE N N 15 118.9803835 0 . . . . . . . 14 I N . 52884 1 40 . 1 . 1 15 15 VAL H H 1 7.806405939 0 . . . . . . . 15 V H . 52884 1 41 . 1 . 1 15 15 VAL C C 13 175.3992629 0 . . . . . . . 15 V C . 52884 1 42 . 1 . 1 15 15 VAL CA C 13 63.85359304 0 . . . . . . . 15 V CA . 52884 1 43 . 1 . 1 15 15 VAL CB C 13 28.41859968 0 . . . . . . . 15 V CB . 52884 1 44 . 1 . 1 15 15 VAL N N 15 120.0007827 0 . . . . . . . 15 V N . 52884 1 45 . 1 . 1 16 16 MET H H 1 8.309391819 0 . . . . . . . 16 M H . 52884 1 46 . 1 . 1 16 16 MET C C 13 176.370752 0 . . . . . . . 16 M C . 52884 1 47 . 1 . 1 16 16 MET CA C 13 55.5189711 0 . . . . . . . 16 M CA . 52884 1 48 . 1 . 1 16 16 MET N N 15 117.7167228 0 . . . . . . . 16 M N . 52884 1 49 . 1 . 1 19 19 ILE CA C 13 56.24683961 0 . . . . . . . 19 I CA . 52884 1 50 . 1 . 1 19 19 ILE CB C 13 26.13335516 0 . . . . . . . 19 I CB . 52884 1 51 . 1 . 1 20 20 HIS H H 1 8.118764905 0 . . . . . . . 20 H H . 52884 1 52 . 1 . 1 20 20 HIS CA C 13 54.69945932 0 . . . . . . . 20 H CA . 52884 1 53 . 1 . 1 20 20 HIS CB C 13 38.67739593 0 . . . . . . . 20 H CB . 52884 1 54 . 1 . 1 20 20 HIS N N 15 119.4305752 0 . . . . . . . 20 H N . 52884 1 55 . 1 . 1 21 21 TYR H H 1 7.920600857 0 . . . . . . . 21 Y H . 52884 1 56 . 1 . 1 21 21 TYR C C 13 174.4428258 0 . . . . . . . 21 Y C . 52884 1 57 . 1 . 1 21 21 TYR CA C 13 56.18815291 0 . . . . . . . 21 Y CA . 52884 1 58 . 1 . 1 21 21 TYR CB C 13 36.02557498 0 . . . . . . . 21 Y CB . 52884 1 59 . 1 . 1 21 21 TYR N N 15 115.0951101 0 . . . . . . . 21 Y N . 52884 1 60 . 1 . 1 22 22 LYS H H 1 7.895216133 0 . . . . . . . 22 K H . 52884 1 61 . 1 . 1 22 22 LYS CA C 13 54.97469136 0 . . . . . . . 22 K CA . 52884 1 62 . 1 . 1 22 22 LYS CB C 13 27.39203676 0 . . . . . . . 22 K CB . 52884 1 63 . 1 . 1 22 22 LYS N N 15 120.2027996 0 . . . . . . . 22 K N . 52884 1 64 . 1 . 1 23 23 LEU H H 1 7.996475448 0 . . . . . . . 23 L H . 52884 1 65 . 1 . 1 23 23 LEU C C 13 173.7628421 0 . . . . . . . 23 L C . 52884 1 66 . 1 . 1 23 23 LEU CA C 13 56.50312306 0 . . . . . . . 23 L CA . 52884 1 67 . 1 . 1 23 23 LEU CB C 13 35.61248272 0 . . . . . . . 23 L CB . 52884 1 68 . 1 . 1 23 23 LEU N N 15 117.7854944 0 . . . . . . . 23 L N . 52884 1 69 . 1 . 1 24 24 SER H H 1 8.257126622 0 . . . . . . . 24 S H . 52884 1 70 . 1 . 1 24 24 SER HA H 1 4.703537431 0 . . . . . . . 24 S HA . 52884 1 71 . 1 . 1 24 24 SER HB3 H 1 4.074356261 0 . . . . . . . 24 S HB3 . 52884 1 72 . 1 . 1 24 24 SER CA C 13 58.37936781 0 . . . . . . . 24 S CA . 52884 1 73 . 1 . 1 24 24 SER CB C 13 60.48803239 0 . . . . . . . 24 S CB . 52884 1 74 . 1 . 1 24 24 SER N N 15 115.9021208 0 . . . . . . . 24 S N . 52884 1 75 . 1 . 1 25 25 GLN H H 1 7.947167142 0 . . . . . . . 25 Q H . 52884 1 76 . 1 . 1 25 25 GLN C C 13 175.4670797 0 . . . . . . . 25 Q C . 52884 1 77 . 1 . 1 25 25 GLN CA C 13 54.66972843 0 . . . . . . . 25 Q CA . 52884 1 78 . 1 . 1 25 25 GLN CB C 13 25.95852558 0 . . . . . . . 25 Q CB . 52884 1 79 . 1 . 1 25 25 GLN N N 15 121.2843036 0 . . . . . . . 25 Q N . 52884 1 80 . 1 . 1 26 26 ARG H H 1 7.689114178 0 . . . . . . . 26 R H . 52884 1 81 . 1 . 1 26 26 ARG C C 13 173.5882555 0 . . . . . . . 26 R C . 52884 1 82 . 1 . 1 26 26 ARG CA C 13 52.88742148 0 . . . . . . . 26 R CA . 52884 1 83 . 1 . 1 26 26 ARG CB C 13 27.42226407 0 . . . . . . . 26 R CB . 52884 1 84 . 1 . 1 26 26 ARG N N 15 117.7266171 0 . . . . . . . 26 R N . 52884 1 85 . 1 . 1 27 27 GLY H H 1 7.988873417 0 . . . . . . . 27 G H . 52884 1 86 . 1 . 1 27 27 GLY CA C 13 42.83596968 0 . . . . . . . 27 G CA . 52884 1 87 . 1 . 1 27 27 GLY N N 15 107.2712821 0 . . . . . . . 27 G N . 52884 1 88 . 1 . 1 28 28 TYR H H 1 7.927301159 0 . . . . . . . 28 Y H . 52884 1 89 . 1 . 1 28 28 TYR CA C 13 54.91745539 0 . . . . . . . 28 Y CA . 52884 1 90 . 1 . 1 28 28 TYR CB C 13 35.93476936 0 . . . . . . . 28 Y CB . 52884 1 91 . 1 . 1 28 28 TYR N N 15 120.3463967 0 . . . . . . . 28 Y N . 52884 1 92 . 1 . 1 29 29 GLU H H 1 8.189389129 0 . . . . . . . 29 E H . 52884 1 93 . 1 . 1 29 29 GLU CA C 13 53.18567526 0 . . . . . . . 29 E CA . 52884 1 94 . 1 . 1 29 29 GLU CB C 13 27.45805933 0 . . . . . . . 29 E CB . 52884 1 95 . 1 . 1 29 29 GLU N N 15 122.224562 0 . . . . . . . 29 E N . 52884 1 96 . 1 . 1 30 30 TRP H H 1 8.256077628 0 . . . . . . . 30 W H . 52884 1 97 . 1 . 1 30 30 TRP CA C 13 54.60829784 0 . . . . . . . 30 W CA . 52884 1 98 . 1 . 1 30 30 TRP CB C 13 38.20976308 0 . . . . . . . 30 W CB . 52884 1 99 . 1 . 1 30 30 TRP N N 15 123.2525752 0 . . . . . . . 30 W N . 52884 1 100 . 1 . 1 31 31 ASP H H 1 8.317483451 0 . . . . . . . 31 D H . 52884 1 101 . 1 . 1 31 31 ASP HA H 1 5.078930648 0 . . . . . . . 31 D HA . 52884 1 102 . 1 . 1 31 31 ASP HB2 H 1 2.948312163 0 . . . . . . . 31 D HB2 . 52884 1 103 . 1 . 1 31 31 ASP HB3 H 1 2.742796179 0 . . . . . . . 31 D HB3 . 52884 1 104 . 1 . 1 31 31 ASP C C 13 173.0730425 0 . . . . . . . 31 D C . 52884 1 105 . 1 . 1 31 31 ASP CA C 13 51.12974285 0 . . . . . . . 31 D CA . 52884 1 106 . 1 . 1 31 31 ASP CB C 13 38.58764894 0 . . . . . . . 31 D CB . 52884 1 107 . 1 . 1 31 31 ASP N N 15 122.3380733 0 . . . . . . . 31 D N . 52884 1 108 . 1 . 1 32 32 ALA H H 1 8.117003224 0 . . . . . . . 32 A H . 52884 1 109 . 1 . 1 32 32 ALA HA H 1 4.814853258 0 . . . . . . . 32 A HA . 52884 1 110 . 1 . 1 32 32 ALA HB1 H 1 1.585361274 0 . . . . . . . 32 A HB . 52884 1 111 . 1 . 1 32 32 ALA HB2 H 1 1.585361274 0 . . . . . . . 32 A HB . 52884 1 112 . 1 . 1 32 32 ALA HB3 H 1 1.585361274 0 . . . . . . . 32 A HB . 52884 1 113 . 1 . 1 32 32 ALA C C 13 175.6261794 0 . . . . . . . 32 A C . 52884 1 114 . 1 . 1 32 32 ALA CA C 13 49.8885881 0 . . . . . . . 32 A CA . 52884 1 115 . 1 . 1 32 32 ALA CB C 13 16.14256164 0 . . . . . . . 32 A CB . 52884 1 116 . 1 . 1 32 32 ALA N N 15 124.9125798 0 . . . . . . . 32 A N . 52884 1 117 . 1 . 1 33 33 GLY H H 1 8.375130175 0 . . . . . . . 33 G H . 52884 1 118 . 1 . 1 33 33 GLY HA2 H 1 4.107711138 0 . . . . . . . 33 G HA . 52884 1 119 . 1 . 1 33 33 GLY HA3 H 1 4.107711138 0 . . . . . . . 33 G HA . 52884 1 120 . 1 . 1 33 33 GLY C C 13 171.5021007 0 . . . . . . . 33 G C . 52884 1 121 . 1 . 1 33 33 GLY CA C 13 42.76580365 0 . . . . . . . 33 G CA . 52884 1 122 . 1 . 1 33 33 GLY N N 15 107.4340518 0 . . . . . . . 33 G N . 52884 1 123 . 1 . 1 34 34 ASP H H 1 8.224902075 0 . . . . . . . 34 D H . 52884 1 124 . 1 . 1 34 34 ASP C C 13 174.106713 0 . . . . . . . 34 D C . 52884 1 125 . 1 . 1 34 34 ASP CA C 13 51.66357601 0 . . . . . . . 34 D CA . 52884 1 126 . 1 . 1 34 34 ASP CB C 13 38.9532941 0 . . . . . . . 34 D CB . 52884 1 127 . 1 . 1 34 34 ASP N N 15 120.8544121 0 . . . . . . . 34 D N . 52884 1 128 . 1 . 1 35 35 VAL H H 1 8.096982748 0 . . . . . . . 35 V H . 52884 1 129 . 1 . 1 35 35 VAL C C 13 174.3222483 0 . . . . . . . 35 V C . 52884 1 130 . 1 . 1 35 35 VAL CA C 13 59.9074797 0 . . . . . . . 35 V CA . 52884 1 131 . 1 . 1 35 35 VAL CB C 13 29.11033075 0 . . . . . . . 35 V CB . 52884 1 132 . 1 . 1 35 35 VAL N N 15 119.7565678 0 . . . . . . . 35 V N . 52884 1 133 . 1 . 1 36 36 GLY H H 1 8.422713655 0 . . . . . . . 36 G H . 52884 1 134 . 1 . 1 36 36 GLY HA2 H 1 4.136483694 0 . . . . . . . 36 G HA . 52884 1 135 . 1 . 1 36 36 GLY HA3 H 1 4.136483694 0 . . . . . . . 36 G HA . 52884 1 136 . 1 . 1 36 36 GLY C C 13 171.2951659 0 . . . . . . . 36 G C . 52884 1 137 . 1 . 1 36 36 GLY CA C 13 42.68602596 0 . . . . . . . 36 G CA . 52884 1 138 . 1 . 1 36 36 GLY N N 15 111.5366398 0 . . . . . . . 36 G N . 52884 1 139 . 1 . 1 37 37 ALA H H 1 7.984986346 0 . . . . . . . 37 A H . 52884 1 140 . 1 . 1 37 37 ALA C C 13 174.4827156 0 . . . . . . . 37 A C . 52884 1 141 . 1 . 1 37 37 ALA CA C 13 49.39939383 0 . . . . . . . 37 A CA . 52884 1 142 . 1 . 1 37 37 ALA CB C 13 16.43599875 0 . . . . . . . 37 A CB . 52884 1 143 . 1 . 1 37 37 ALA N N 15 123.8167226 0 . . . . . . . 37 A N . 52884 1 144 . 1 . 1 38 38 ALA H H 1 8.165420931 0 . . . . . . . 38 A H . 52884 1 145 . 1 . 1 38 38 ALA HA H 1 4.399373702 0 . . . . . . . 38 A HA . 52884 1 146 . 1 . 1 38 38 ALA HB1 H 1 1.545004981 0 . . . . . . . 38 A HB . 52884 1 147 . 1 . 1 38 38 ALA HB2 H 1 1.545004981 0 . . . . . . . 38 A HB . 52884 1 148 . 1 . 1 38 38 ALA HB3 H 1 1.545004981 0 . . . . . . . 38 A HB . 52884 1 149 . 1 . 1 38 38 ALA C C 13 173.1246907 0 . . . . . . . 38 A C . 52884 1 150 . 1 . 1 38 38 ALA CA C 13 47.53376036 0 . . . . . . . 38 A CA . 52884 1 151 . 1 . 1 38 38 ALA CB C 13 15.31571704 0 . . . . . . . 38 A CB . 52884 1 152 . 1 . 1 38 38 ALA N N 15 124.6444435 0 . . . . . . . 38 A N . 52884 1 153 . 1 . 1 41 41 GLY CA C 13 42.48225501 0 . . . . . . . 41 G CA . 52884 1 154 . 1 . 1 42 42 ALA H H 1 8.080412181 0 . . . . . . . 42 A H . 52884 1 155 . 1 . 1 42 42 ALA HA H 1 4.81032827 0 . . . . . . . 42 A HA . 52884 1 156 . 1 . 1 42 42 ALA HB1 H 1 1.575786207 0 . . . . . . . 42 A HB . 52884 1 157 . 1 . 1 42 42 ALA HB2 H 1 1.575786207 0 . . . . . . . 42 A HB . 52884 1 158 . 1 . 1 42 42 ALA HB3 H 1 1.575786207 0 . . . . . . . 42 A HB . 52884 1 159 . 1 . 1 42 42 ALA C C 13 175.0478929 0 . . . . . . . 42 A C . 52884 1 160 . 1 . 1 42 42 ALA CA C 13 49.59262312 0 . . . . . . . 42 A CA . 52884 1 161 . 1 . 1 42 42 ALA CB C 13 16.27896833 0 . . . . . . . 42 A CB . 52884 1 162 . 1 . 1 42 42 ALA N N 15 124.0028132 0 . . . . . . . 42 A N . 52884 1 163 . 1 . 1 43 43 ALA H H 1 8.1435024 0 . . . . . . . 43 A H . 52884 1 164 . 1 . 1 43 43 ALA C C 13 172.5243992 0 . . . . . . . 43 A C . 52884 1 165 . 1 . 1 43 43 ALA CA C 13 47.49912976 0 . . . . . . . 43 A CA . 52884 1 166 . 1 . 1 43 43 ALA CB C 13 15.2494386 0 . . . . . . . 43 A CB . 52884 1 167 . 1 . 1 43 43 ALA N N 15 124.6822953 0 . . . . . . . 43 A N . 52884 1 168 . 1 . 1 45 45 ALA H H 1 8.229649527 0 . . . . . . . 45 A H . 52884 1 169 . 1 . 1 45 45 ALA C C 13 173.1157412 0 . . . . . . . 45 A C . 52884 1 170 . 1 . 1 45 45 ALA CA C 13 47.53351879 0 . . . . . . . 45 A CA . 52884 1 171 . 1 . 1 45 45 ALA CB C 13 15.36080778 0 . . . . . . . 45 A CB . 52884 1 172 . 1 . 1 45 45 ALA N N 15 125.2264086 0 . . . . . . . 45 A N . 52884 1 173 . 1 . 1 47 47 GLY H H 1 8.33600867 0 . . . . . . . 47 G H . 52884 1 174 . 1 . 1 47 47 GLY HA2 H 1 4.141027978 0 . . . . . . . 47 G HA . 52884 1 175 . 1 . 1 47 47 GLY HA3 H 1 4.141027978 0 . . . . . . . 47 G HA . 52884 1 176 . 1 . 1 47 47 GLY C C 13 171.8022573 0 . . . . . . . 47 G C . 52884 1 177 . 1 . 1 47 47 GLY CA C 13 42.76298005 0 . . . . . . . 47 G CA . 52884 1 178 . 1 . 1 47 47 GLY N N 15 108.7864251 0 . . . . . . . 47 G N . 52884 1 179 . 1 . 1 48 48 ILE H H 1 7.95459128 0 . . . . . . . 48 I H . 52884 1 180 . 1 . 1 48 48 ILE N N 15 119.6311426 0 . . . . . . . 48 I N . 52884 1 181 . 1 . 1 52 52 GLN H H 1 8.29090013 0 . . . . . . . 52 Q H . 52884 1 182 . 1 . 1 52 52 GLN N N 15 122.829767 0 . . . . . . . 52 Q N . 52884 1 183 . 1 . 1 54 54 GLY H H 1 8.412856742 0 . . . . . . . 54 G H . 52884 1 184 . 1 . 1 54 54 GLY HA2 H 1 4.172164627 0 . . . . . . . 54 G HA . 52884 1 185 . 1 . 1 54 54 GLY HA3 H 1 4.172164627 0 . . . . . . . 54 G HA . 52884 1 186 . 1 . 1 54 54 GLY C C 13 171.367919 0 . . . . . . . 54 G C . 52884 1 187 . 1 . 1 54 54 GLY CA C 13 42.61133574 0 . . . . . . . 54 G CA . 52884 1 188 . 1 . 1 54 54 GLY N N 15 109.3992235 0 . . . . . . . 54 G N . 52884 1 189 . 1 . 1 56 56 THR H H 1 7.977921423 0 . . . . . . . 56 T H . 52884 1 190 . 1 . 1 56 56 THR N N 15 116.5151268 0 . . . . . . . 56 T N . 52884 1 191 . 1 . 1 58 58 HIS H H 1 7.939237965 0 . . . . . . . 58 H H . 52884 1 192 . 1 . 1 58 58 HIS N N 15 118.4296002 0 . . . . . . . 58 H N . 52884 1 193 . 1 . 1 62 62 SER H H 1 8.175780328 0 . . . . . . . 62 S H . 52884 1 194 . 1 . 1 62 62 SER N N 15 114.9969103 0 . . . . . . . 62 S N . 52884 1 195 . 1 . 1 64 64 ASP H H 1 8.551356671 0 . . . . . . . 64 D H . 52884 1 196 . 1 . 1 64 64 ASP C C 13 175.0133154 0 . . . . . . . 64 D C . 52884 1 197 . 1 . 1 64 64 ASP CA C 13 56.79080145 0 . . . . . . . 64 D CA . 52884 1 198 . 1 . 1 64 64 ASP CB C 13 26.68324312 0 . . . . . . . 64 D CB . 52884 1 199 . 1 . 1 64 64 ASP N N 15 120.0024773 0 . . . . . . . 64 D N . 52884 1 200 . 1 . 1 65 65 PRO CA C 13 43.18980652 0 . . . . . . . 65 P CA . 52884 1 201 . 1 . 1 66 66 VAL H H 1 7.967233197 0 . . . . . . . 66 V H . 52884 1 202 . 1 . 1 66 66 VAL HA H 1 4.300942928 0 . . . . . . . 66 V HA . 52884 1 203 . 1 . 1 66 66 VAL HB H 1 1.933559572 0 . . . . . . . 66 V HB . 52884 1 204 . 1 . 1 66 66 VAL CA C 13 60.65630622 0 . . . . . . . 66 V CA . 52884 1 205 . 1 . 1 66 66 VAL CB C 13 29.02250176 0 . . . . . . . 66 V CB . 52884 1 206 . 1 . 1 66 66 VAL N N 15 118.6599789 0 . . . . . . . 66 V N . 52884 1 207 . 1 . 1 67 67 ALA H H 1 8.54369924 0 . . . . . . . 67 A H . 52884 1 208 . 1 . 1 67 67 ALA HA H 1 4.620294824 0 . . . . . . . 67 A HA . 52884 1 209 . 1 . 1 67 67 ALA HB1 H 1 1.633048147 0 . . . . . . . 67 A HB . 52884 1 210 . 1 . 1 67 67 ALA HB2 H 1 1.633048147 0 . . . . . . . 67 A HB . 52884 1 211 . 1 . 1 67 67 ALA HB3 H 1 1.633048147 0 . . . . . . . 67 A HB . 52884 1 212 . 1 . 1 67 67 ALA CA C 13 49.66311979 0 . . . . . . . 67 A CA . 52884 1 213 . 1 . 1 67 67 ALA CB C 13 16.0815463 0 . . . . . . . 67 A CB . 52884 1 214 . 1 . 1 67 67 ALA N N 15 124.6025667 0 . . . . . . . 67 A N . 52884 1 215 . 1 . 1 68 68 ARG H H 1 8.264207691 0 . . . . . . . 68 R H . 52884 1 216 . 1 . 1 68 68 ARG C C 13 173.9860335 0 . . . . . . . 68 R C . 52884 1 217 . 1 . 1 68 68 ARG CA C 13 53.32861633 0 . . . . . . . 68 R CA . 52884 1 218 . 1 . 1 68 68 ARG CB C 13 27.5440475 0 . . . . . . . 68 R CB . 52884 1 219 . 1 . 1 68 68 ARG N N 15 120.579888 0 . . . . . . . 68 R N . 52884 1 220 . 1 . 1 73 73 GLN CA C 13 52.87033175 0 . . . . . . . 73 Q CA . 52884 1 221 . 1 . 1 73 73 GLN CB C 13 26.70564443 0 . . . . . . . 73 Q CB . 52884 1 222 . 1 . 1 74 74 THR H H 1 8.146649312 0 . . . . . . . 74 T H . 52884 1 223 . 1 . 1 74 74 THR HA H 1 4.813899217 0 . . . . . . . 74 T HA . 52884 1 224 . 1 . 1 74 74 THR C C 13 170.3781614 0 . . . . . . . 74 T C . 52884 1 225 . 1 . 1 74 74 THR CA C 13 57.16328331 0 . . . . . . . 74 T CA . 52884 1 226 . 1 . 1 74 74 THR CB C 13 66.80783846 0 . . . . . . . 74 T CB . 52884 1 227 . 1 . 1 74 74 THR N N 15 117.908223 0 . . . . . . . 74 T N . 52884 1 228 . 1 . 1 80 80 ALA CA C 13 49.99329697 0 . . . . . . . 80 A CA . 52884 1 229 . 1 . 1 80 80 ALA CB C 13 16.24508002 0 . . . . . . . 80 A CB . 52884 1 230 . 1 . 1 81 81 ALA H H 1 8.224983953 0 . . . . . . . 81 A H . 52884 1 231 . 1 . 1 81 81 ALA HA H 1 4.607341174 0 . . . . . . . 81 A HA . 52884 1 232 . 1 . 1 81 81 ALA HB1 H 1 1.60725113 0 . . . . . . . 81 A HB . 52884 1 233 . 1 . 1 81 81 ALA HB2 H 1 1.60725113 0 . . . . . . . 81 A HB . 52884 1 234 . 1 . 1 81 81 ALA HB3 H 1 1.60725113 0 . . . . . . . 81 A HB . 52884 1 235 . 1 . 1 81 81 ALA C C 13 174.7906065 0 . . . . . . . 81 A C . 52884 1 236 . 1 . 1 81 81 ALA N N 15 123.3037733 0 . . . . . . . 81 A N . 52884 1 237 . 1 . 1 82 82 ALA H H 1 8.16183402 0 . . . . . . . 82 A H . 52884 1 238 . 1 . 1 82 82 ALA HA H 1 4.572398594 0 . . . . . . . 82 A HA . 52884 1 239 . 1 . 1 82 82 ALA HB1 H 1 1.584167272 0 . . . . . . . 82 A HB . 52884 1 240 . 1 . 1 82 82 ALA HB2 H 1 1.584167272 0 . . . . . . . 82 A HB . 52884 1 241 . 1 . 1 82 82 ALA HB3 H 1 1.584167272 0 . . . . . . . 82 A HB . 52884 1 242 . 1 . 1 82 82 ALA C C 13 175.2501944 0 . . . . . . . 82 A C . 52884 1 243 . 1 . 1 82 82 ALA CA C 13 49.22516578 0 . . . . . . . 82 A CA . 52884 1 244 . 1 . 1 82 82 ALA CB C 13 30.1157206 0 . . . . . . . 82 A CB . 52884 1 245 . 1 . 1 82 82 ALA N N 15 123.3275068 0 . . . . . . . 82 A N . 52884 1 246 . 1 . 1 83 83 GLY H H 1 8.159963189 0 . . . . . . . 83 G H . 52884 1 247 . 1 . 1 83 83 GLY HA2 H 1 4.171191841 0 . . . . . . . 83 G HA . 52884 1 248 . 1 . 1 83 83 GLY HA3 H 1 4.171191841 0 . . . . . . . 83 G HA . 52884 1 249 . 1 . 1 83 83 GLY CA C 13 42.53172831 0 . . . . . . . 83 G CA . 52884 1 250 . 1 . 1 83 83 GLY N N 15 108.254121 0 . . . . . . . 83 G N . 52884 1 251 . 1 . 1 85 85 ALA H H 1 8.333799919 0 . . . . . . . 85 A H . 52884 1 252 . 1 . 1 85 85 ALA HA H 1 4.531290606 0 . . . . . . . 85 A HA . 52884 1 253 . 1 . 1 85 85 ALA HB1 H 1 1.606376637 0 . . . . . . . 85 A HB . 52884 1 254 . 1 . 1 85 85 ALA HB2 H 1 1.606376637 0 . . . . . . . 85 A HB . 52884 1 255 . 1 . 1 85 85 ALA HB3 H 1 1.606376637 0 . . . . . . . 85 A HB . 52884 1 256 . 1 . 1 85 85 ALA C C 13 174.7418498 0 . . . . . . . 85 A C . 52884 1 257 . 1 . 1 85 85 ALA CA C 13 49.60577955 0 . . . . . . . 85 A CA . 52884 1 258 . 1 . 1 85 85 ALA CB C 13 16.11432485 0 . . . . . . . 85 A CB . 52884 1 259 . 1 . 1 85 85 ALA N N 15 124.0243382 0 . . . . . . . 85 A N . 52884 1 260 . 1 . 1 86 86 LEU H H 1 8.130074397 0 . . . . . . . 86 L H . 52884 1 261 . 1 . 1 86 86 LEU C C 13 174.5363088 0 . . . . . . . 86 L C . 52884 1 262 . 1 . 1 86 86 LEU CA C 13 52.14906956 0 . . . . . . . 86 L CA . 52884 1 263 . 1 . 1 86 86 LEU CB C 13 39.18439458 0 . . . . . . . 86 L CB . 52884 1 264 . 1 . 1 86 86 LEU N N 15 121.3758065 0 . . . . . . . 86 L N . 52884 1 265 . 1 . 1 87 87 SER H H 1 8.187375336 0 . . . . . . . 87 S H . 52884 1 266 . 1 . 1 87 87 SER C C 13 170.5484263 0 . . . . . . . 87 S C . 52884 1 267 . 1 . 1 87 87 SER CA C 13 53.4980212 0 . . . . . . . 87 S CA . 52884 1 268 . 1 . 1 87 87 SER CB C 13 61.16231687 0 . . . . . . . 87 S CB . 52884 1 269 . 1 . 1 87 87 SER N N 15 117.5593329 0 . . . . . . . 87 S N . 52884 1 270 . 1 . 1 92 92 VAL H H 1 8.194959083 0 . . . . . . . 92 V H . 52884 1 271 . 1 . 1 92 92 VAL CA C 13 60.42664319 0 . . . . . . . 92 V CA . 52884 1 272 . 1 . 1 92 92 VAL CB C 13 28.70859301 0 . . . . . . . 92 V CB . 52884 1 273 . 1 . 1 92 92 VAL N N 15 117.9797629 0 . . . . . . . 92 V N . 52884 1 274 . 1 . 1 93 93 VAL H H 1 8.157799077 0 . . . . . . . 93 V H . 52884 1 275 . 1 . 1 93 93 VAL C C 13 174.730813 0 . . . . . . . 93 V C . 52884 1 276 . 1 . 1 93 93 VAL CA C 13 52.46463608 0 . . . . . . . 93 V CA . 52884 1 277 . 1 . 1 93 93 VAL CB C 13 39.00468957 0 . . . . . . . 93 V CB . 52884 1 278 . 1 . 1 93 93 VAL N N 15 121.3615267 0 . . . . . . . 93 V N . 52884 1 279 . 1 . 1 95 95 LEU H H 1 8.289781824 0 . . . . . . . 95 L H . 52884 1 280 . 1 . 1 95 95 LEU C C 13 174.1361545 0 . . . . . . . 95 L C . 52884 1 281 . 1 . 1 95 95 LEU CA C 13 42.86636673 0 . . . . . . . 95 L CA . 52884 1 282 . 1 . 1 95 95 LEU CB C 13 38.86641425 0 . . . . . . . 95 L CB . 52884 1 283 . 1 . 1 95 95 LEU N N 15 121.1898239 0 . . . . . . . 95 L N . 52884 1 284 . 1 . 1 96 96 THR H H 1 7.813695863 0 . . . . . . . 96 T H . 52884 1 285 . 1 . 1 96 96 THR CA C 13 57.71264405 0 . . . . . . . 96 T CA . 52884 1 286 . 1 . 1 96 96 THR N N 15 112.1716928 0 . . . . . . . 96 T N . 52884 1 287 . 1 . 1 97 97 LEU H H 1 8.049466355 0 . . . . . . . 97 L H . 52884 1 288 . 1 . 1 97 97 LEU C C 13 173.8279387 0 . . . . . . . 97 L C . 52884 1 289 . 1 . 1 97 97 LEU CA C 13 53.64702969 0 . . . . . . . 97 L CA . 52884 1 290 . 1 . 1 97 97 LEU CB C 13 25.98304202 0 . . . . . . . 97 L CB . 52884 1 291 . 1 . 1 97 97 LEU N N 15 120.1438179 0 . . . . . . . 97 L N . 52884 1 292 . 1 . 1 98 98 ARG H H 1 7.769973048 0 . . . . . . . 98 R H . 52884 1 293 . 1 . 1 98 98 ARG C C 13 173.7389245 0 . . . . . . . 98 R C . 52884 1 294 . 1 . 1 98 98 ARG CA C 13 52.46829477 0 . . . . . . . 98 R CA . 52884 1 295 . 1 . 1 98 98 ARG CB C 13 39.04418054 0 . . . . . . . 98 R CB . 52884 1 296 . 1 . 1 98 98 ARG N N 15 119.7226984 0 . . . . . . . 98 R N . 52884 1 297 . 1 . 1 99 99 GLN CA C 13 54.47186798 0 . . . . . . . 99 Q CA . 52884 1 298 . 1 . 1 99 99 GLN CB C 13 25.9278839 0 . . . . . . . 99 Q CB . 52884 1 299 . 1 . 1 100 100 ALA H H 1 8.32136462 0 . . . . . . . 100 A H . 52884 1 300 . 1 . 1 100 100 ALA HA H 1 4.558643511 0 . . . . . . . 100 A HA . 52884 1 301 . 1 . 1 100 100 ALA HB1 H 1 1.637352415 0 . . . . . . . 100 A HB . 52884 1 302 . 1 . 1 100 100 ALA HB2 H 1 1.637352415 0 . . . . . . . 100 A HB . 52884 1 303 . 1 . 1 100 100 ALA HB3 H 1 1.637352415 0 . . . . . . . 100 A HB . 52884 1 304 . 1 . 1 100 100 ALA C C 13 177.0911369 0 . . . . . . . 100 A C . 52884 1 305 . 1 . 1 100 100 ALA CA C 13 50.89269745 0 . . . . . . . 100 A CA . 52884 1 306 . 1 . 1 100 100 ALA CB C 13 15.55025591 0 . . . . . . . 100 A CB . 52884 1 307 . 1 . 1 100 100 ALA N N 15 123.3419717 0 . . . . . . . 100 A N . 52884 1 308 . 1 . 1 101 101 GLY H H 1 8.479234717 0 . . . . . . . 101 G H . 52884 1 309 . 1 . 1 101 101 GLY C C 13 172.3626068 0 . . . . . . . 101 G C . 52884 1 310 . 1 . 1 101 101 GLY CA C 13 43.67164604 0 . . . . . . . 101 G CA . 52884 1 311 . 1 . 1 101 101 GLY N N 15 106.4659466 0 . . . . . . . 101 G N . 52884 1 312 . 1 . 1 102 102 ASP CA C 13 53.5829877 0 . . . . . . . 102 D CA . 52884 1 313 . 1 . 1 102 102 ASP CB C 13 38.48347277 0 . . . . . . . 102 D CB . 52884 1 314 . 1 . 1 103 103 ASP H H 1 8.409415336 0 . . . . . . . 103 D H . 52884 1 315 . 1 . 1 103 103 ASP C C 13 175.4428282 0 . . . . . . . 103 D C . 52884 1 316 . 1 . 1 103 103 ASP CA C 13 57.21325476 0 . . . . . . . 103 D CA . 52884 1 317 . 1 . 1 103 103 ASP CB C 13 41.87226656 0 . . . . . . . 103 D CB . 52884 1 318 . 1 . 1 103 103 ASP N N 15 120.3073585 0 . . . . . . . 103 D N . 52884 1 319 . 1 . 1 104 104 PHE H H 1 8.598056707 0 . . . . . . . 104 F H . 52884 1 320 . 1 . 1 104 104 PHE C C 13 174.6318499 0 . . . . . . . 104 F C . 52884 1 321 . 1 . 1 104 104 PHE CA C 13 58.01181337 0 . . . . . . . 104 F CA . 52884 1 322 . 1 . 1 104 104 PHE CB C 13 36.22057638 0 . . . . . . . 104 F CB . 52884 1 323 . 1 . 1 104 104 PHE N N 15 120.5858818 0 . . . . . . . 104 F N . 52884 1 324 . 1 . 1 105 105 SER H H 1 8.460910745 0 . . . . . . . 105 S H . 52884 1 325 . 1 . 1 105 105 SER CB C 13 60.63427719 0 . . . . . . . 105 S CB . 52884 1 326 . 1 . 1 105 105 SER N N 15 114.7878301 0 . . . . . . . 105 S N . 52884 1 327 . 1 . 1 106 106 ARG H H 1 7.995886993 0 . . . . . . . 106 R H . 52884 1 328 . 1 . 1 106 106 ARG C C 13 175.4459826 0 . . . . . . . 106 R C . 52884 1 329 . 1 . 1 106 106 ARG CA C 13 55.68781 0 . . . . . . . 106 R CA . 52884 1 330 . 1 . 1 106 106 ARG CB C 13 27.11749355 0 . . . . . . . 106 R CB . 52884 1 331 . 1 . 1 106 106 ARG N N 15 120.8689764 0 . . . . . . . 106 R N . 52884 1 332 . 1 . 1 107 107 ARG H H 1 8.014863586 0 . . . . . . . 107 R H . 52884 1 333 . 1 . 1 107 107 ARG C C 13 171.6128384 0 . . . . . . . 107 R C . 52884 1 334 . 1 . 1 107 107 ARG CA C 13 57.21071843 0 . . . . . . . 107 R CA . 52884 1 335 . 1 . 1 107 107 ARG N N 15 120.2489575 0 . . . . . . . 107 R N . 52884 1 336 . 1 . 1 110 110 ARG CA C 13 52.87382731 0 . . . . . . . 110 R CA . 52884 1 337 . 1 . 1 110 110 ARG CB C 13 26.58905604 0 . . . . . . . 110 R CB . 52884 1 338 . 1 . 1 111 111 ASP H H 1 8.020960821 0 . . . . . . . 111 D H . 52884 1 339 . 1 . 1 111 111 ASP CA C 13 54.92024501 0 . . . . . . . 111 D CA . 52884 1 340 . 1 . 1 111 111 ASP CB C 13 30.18311847 0 . . . . . . . 111 D CB . 52884 1 341 . 1 . 1 111 111 ASP N N 15 127.9613819 0 . . . . . . . 111 D N . 52884 1 342 . 1 . 1 112 112 PHE H H 1 8.445454042 0 . . . . . . . 112 F H . 52884 1 343 . 1 . 1 112 112 PHE C C 13 174.6479543 0 . . . . . . . 112 F C . 52884 1 344 . 1 . 1 112 112 PHE CA C 13 57.28740251 0 . . . . . . . 112 F CA . 52884 1 345 . 1 . 1 112 112 PHE CB C 13 36.14081478 0 . . . . . . . 112 F CB . 52884 1 346 . 1 . 1 112 112 PHE N N 15 120.2936433 0 . . . . . . . 112 F N . 52884 1 347 . 1 . 1 113 113 ALA CA C 13 52.19518581 0 . . . . . . . 113 A CA . 52884 1 348 . 1 . 1 113 113 ALA CB C 13 15.65743706 0 . . . . . . . 113 A CB . 52884 1 349 . 1 . 1 114 114 GLU H H 1 8.26959598 0 . . . . . . . 114 E H . 52884 1 350 . 1 . 1 114 114 GLU C C 13 174.8689869 0 . . . . . . . 114 E C . 52884 1 351 . 1 . 1 114 114 GLU CA C 13 55.49432054 0 . . . . . . . 114 E CA . 52884 1 352 . 1 . 1 114 114 GLU CB C 13 26.51099856 0 . . . . . . . 114 E CB . 52884 1 353 . 1 . 1 114 114 GLU N N 15 118.7105198 0 . . . . . . . 114 E N . 52884 1 354 . 1 . 1 115 115 MET CA C 13 55.33822728 0 . . . . . . . 115 M CA . 52884 1 355 . 1 . 1 115 115 MET CB C 13 35.51413666 0 . . . . . . . 115 M CB . 52884 1 356 . 1 . 1 116 116 SER H H 1 8.591576066 0 . . . . . . . 116 S H . 52884 1 357 . 1 . 1 116 116 SER CA C 13 57.25895467 0 . . . . . . . 116 S CA . 52884 1 358 . 1 . 1 116 116 SER CB C 13 61.03698527 0 . . . . . . . 116 S CB . 52884 1 359 . 1 . 1 116 116 SER N N 15 116.6035682 0 . . . . . . . 116 S N . 52884 1 360 . 1 . 1 117 117 SER H H 1 7.963774061 0 . . . . . . . 117 S H . 52884 1 361 . 1 . 1 117 117 SER C C 13 173.3747481 0 . . . . . . . 117 S C . 52884 1 362 . 1 . 1 117 117 SER CA C 13 57.44536995 0 . . . . . . . 117 S CA . 52884 1 363 . 1 . 1 117 117 SER N N 15 116.7658649 0 . . . . . . . 117 S N . 52884 1 364 . 1 . 1 118 118 GLN H H 1 8.358891685 0 . . . . . . . 118 Q H . 52884 1 365 . 1 . 1 118 118 GLN CA C 13 54.40927295 0 . . . . . . . 118 Q CA . 52884 1 366 . 1 . 1 118 118 GLN CB C 13 27.75472083 0 . . . . . . . 118 Q CB . 52884 1 367 . 1 . 1 118 118 GLN N N 15 119.3509635 0 . . . . . . . 118 Q N . 52884 1 368 . 1 . 1 119 119 LEU H H 1 8.436474013 0 . . . . . . . 119 L H . 52884 1 369 . 1 . 1 119 119 LEU CB C 13 37.95369767 0 . . . . . . . 119 L CB . 52884 1 370 . 1 . 1 119 119 LEU N N 15 118.479622 0 . . . . . . . 119 L N . 52884 1 371 . 1 . 1 120 120 HIS H H 1 8.48923715 0 . . . . . . . 120 H H . 52884 1 372 . 1 . 1 120 120 HIS C C 13 174.241108 0 . . . . . . . 120 H C . 52884 1 373 . 1 . 1 120 120 HIS CA C 13 57.34798012 0 . . . . . . . 120 H CA . 52884 1 374 . 1 . 1 120 120 HIS CB C 13 36.13943428 0 . . . . . . . 120 H CB . 52884 1 375 . 1 . 1 120 120 HIS N N 15 120.3518387 0 . . . . . . . 120 H N . 52884 1 376 . 1 . 1 121 121 LEU H H 1 8.243882161 0 . . . . . . . 121 L H . 52884 1 377 . 1 . 1 121 121 LEU CA C 13 52.45744625 0 . . . . . . . 121 L CA . 52884 1 378 . 1 . 1 121 121 LEU CB C 13 39.3173402 0 . . . . . . . 121 L CB . 52884 1 379 . 1 . 1 121 121 LEU N N 15 121.5690047 0 . . . . . . . 121 L N . 52884 1 380 . 1 . 1 122 122 THR H H 1 8.069823491 0 . . . . . . . 122 T H . 52884 1 381 . 1 . 1 122 122 THR C C 13 170.7641638 0 . . . . . . . 122 T C . 52884 1 382 . 1 . 1 122 122 THR CA C 13 58.37175805 0 . . . . . . . 122 T CA . 52884 1 383 . 1 . 1 122 122 THR CB C 13 66.43110824 0 . . . . . . . 122 T CB . 52884 1 384 . 1 . 1 122 122 THR N N 15 115.5489787 0 . . . . . . . 122 T N . 52884 1 385 . 1 . 1 123 123 PRO CA C 13 61.7167778 0 . . . . . . . 123 P CA . 52884 1 386 . 1 . 1 123 123 PRO CB C 13 28.52448869 0 . . . . . . . 123 P CB . 52884 1 387 . 1 . 1 124 124 PHE H H 1 8.072570052 0 . . . . . . . 124 F H . 52884 1 388 . 1 . 1 124 124 PHE C C 13 173.5955365 0 . . . . . . . 124 F C . 52884 1 389 . 1 . 1 124 124 PHE CA C 13 55.49252696 0 . . . . . . . 124 F CA . 52884 1 390 . 1 . 1 124 124 PHE CB C 13 36.31818795 0 . . . . . . . 124 F CB . 52884 1 391 . 1 . 1 124 124 PHE N N 15 117.7853731 0 . . . . . . . 124 F N . 52884 1 392 . 1 . 1 125 125 THR H H 1 8.000119123 0 . . . . . . . 125 T H . 52884 1 393 . 1 . 1 125 125 THR C C 13 172.2278119 0 . . . . . . . 125 T C . 52884 1 394 . 1 . 1 125 125 THR CA C 13 59.58561712 0 . . . . . . . 125 T CA . 52884 1 395 . 1 . 1 125 125 THR CB C 13 66.89390397 0 . . . . . . . 125 T CB . 52884 1 396 . 1 . 1 125 125 THR N N 15 113.1645442 0 . . . . . . . 125 T N . 52884 1 397 . 1 . 1 126 126 ALA H H 1 8.323023333 0 . . . . . . . 126 A H . 52884 1 398 . 1 . 1 126 126 ALA C C 13 175.1484955 0 . . . . . . . 126 A C . 52884 1 399 . 1 . 1 126 126 ALA CA C 13 50.40608089 0 . . . . . . . 126 A CA . 52884 1 400 . 1 . 1 126 126 ALA CB C 13 16.02659737 0 . . . . . . . 126 A CB . 52884 1 401 . 1 . 1 126 126 ALA N N 15 125.4391105 0 . . . . . . . 126 A N . 52884 1 402 . 1 . 1 128 128 GLY H H 1 8.186193196 0 . . . . . . . 128 G H . 52884 1 403 . 1 . 1 128 128 GLY CA C 13 45.20104658 0 . . . . . . . 128 G CA . 52884 1 404 . 1 . 1 128 128 GLY N N 15 109.3506728 0 . . . . . . . 128 G N . 52884 1 405 . 1 . 1 129 129 ARG H H 1 7.943600334 0 . . . . . . . 129 R H . 52884 1 406 . 1 . 1 129 129 ARG C C 13 173.535562 0 . . . . . . . 129 R C . 52884 1 407 . 1 . 1 129 129 ARG CA C 13 58.79331998 0 . . . . . . . 129 R CA . 52884 1 408 . 1 . 1 129 129 ARG CB C 13 35.32381726 0 . . . . . . . 129 R CB . 52884 1 409 . 1 . 1 129 129 ARG N N 15 119.7828353 0 . . . . . . . 129 R N . 52884 1 410 . 1 . 1 130 130 PHE H H 1 8.272376377 0 . . . . . . . 130 F H . 52884 1 411 . 1 . 1 130 130 PHE C C 13 173.3385094 0 . . . . . . . 130 F C . 52884 1 412 . 1 . 1 130 130 PHE CA C 13 54.65467523 0 . . . . . . . 130 F CA . 52884 1 413 . 1 . 1 130 130 PHE CB C 13 36.68471859 0 . . . . . . . 130 F CB . 52884 1 414 . 1 . 1 130 130 PHE N N 15 122.0237665 0 . . . . . . . 130 F N . 52884 1 415 . 1 . 1 131 131 ALA H H 1 8.562246457 0 . . . . . . . 131 A H . 52884 1 416 . 1 . 1 131 131 ALA C C 13 177.7030742 0 . . . . . . . 131 A C . 52884 1 417 . 1 . 1 131 131 ALA CA C 13 52.96625398 0 . . . . . . . 131 A CA . 52884 1 418 . 1 . 1 131 131 ALA CB C 13 15.09901385 0 . . . . . . . 131 A CB . 52884 1 419 . 1 . 1 131 131 ALA N N 15 122.4607186 0 . . . . . . . 131 A N . 52884 1 420 . 1 . 1 132 132 THR H H 1 7.903054105 0 . . . . . . . 132 T H . 52884 1 421 . 1 . 1 132 132 THR C C 13 173.8414889 0 . . . . . . . 132 T C . 52884 1 422 . 1 . 1 132 132 THR CA C 13 63.25827037 0 . . . . . . . 132 T CA . 52884 1 423 . 1 . 1 132 132 THR CB C 13 66.11550283 0 . . . . . . . 132 T CB . 52884 1 424 . 1 . 1 132 132 THR N N 15 112.3373224 0 . . . . . . . 132 T N . 52884 1 425 . 1 . 1 133 133 VAL H H 1 7.826040334 0 . . . . . . . 133 V H . 52884 1 426 . 1 . 1 133 133 VAL C C 13 175.1836306 0 . . . . . . . 133 V C . 52884 1 427 . 1 . 1 133 133 VAL CB C 13 28.28813858 0 . . . . . . . 133 V CB . 52884 1 428 . 1 . 1 133 133 VAL N N 15 121.6250707 0 . . . . . . . 133 V N . 52884 1 429 . 1 . 1 134 134 VAL H H 1 8.366211051 0 . . . . . . . 134 V H . 52884 1 430 . 1 . 1 134 134 VAL C C 13 176.7993993 0 . . . . . . . 134 V C . 52884 1 431 . 1 . 1 134 134 VAL CA C 13 57.21503906 0 . . . . . . . 134 V CA . 52884 1 432 . 1 . 1 134 134 VAL CB C 13 28.91159038 0 . . . . . . . 134 V CB . 52884 1 433 . 1 . 1 134 134 VAL N N 15 119.6541326 0 . . . . . . . 134 V N . 52884 1 434 . 1 . 1 135 135 GLU H H 1 8.183607258 0 . . . . . . . 135 E H . 52884 1 435 . 1 . 1 135 135 GLU C C 13 175.0616469 0 . . . . . . . 135 E C . 52884 1 436 . 1 . 1 135 135 GLU CA C 13 59.41429527 0 . . . . . . . 135 E CA . 52884 1 437 . 1 . 1 135 135 GLU CB C 13 35.66614709 0 . . . . . . . 135 E CB . 52884 1 438 . 1 . 1 135 135 GLU N N 15 121.3526825 0 . . . . . . . 135 E N . 52884 1 439 . 1 . 1 136 136 GLU H H 1 8.581033119 0 . . . . . . . 136 E H . 52884 1 440 . 1 . 1 136 136 GLU CA C 13 55.38333138 0 . . . . . . . 136 E CA . 52884 1 441 . 1 . 1 136 136 GLU CB C 13 38.37795675 0 . . . . . . . 136 E CB . 52884 1 442 . 1 . 1 136 136 GLU N N 15 119.3902356 0 . . . . . . . 136 E N . 52884 1 443 . 1 . 1 140 140 ASP CA C 13 52.35494765 0 . . . . . . . 140 D CA . 52884 1 444 . 1 . 1 140 140 ASP CB C 13 38.60916685 0 . . . . . . . 140 D CB . 52884 1 445 . 1 . 1 141 141 GLY H H 1 8.04440215 0 . . . . . . . 141 G H . 52884 1 446 . 1 . 1 141 141 GLY C C 13 170.6746903 0 . . . . . . . 141 G C . 52884 1 447 . 1 . 1 141 141 GLY CA C 13 42.35250932 0 . . . . . . . 141 G CA . 52884 1 448 . 1 . 1 141 141 GLY N N 15 108.8141281 0 . . . . . . . 141 G N . 52884 1 449 . 1 . 1 143 143 ASN H H 1 8.237974873 0 . . . . . . . 143 N H . 52884 1 450 . 1 . 1 143 143 ASN N N 15 123.150157 0 . . . . . . . 143 N N . 52884 1 451 . 1 . 1 144 144 TRP H H 1 8.599657494 0 . . . . . . . 144 W H . 52884 1 452 . 1 . 1 144 144 TRP C C 13 175.4422858 0 . . . . . . . 144 W C . 52884 1 453 . 1 . 1 144 144 TRP CA C 13 57.29466535 0 . . . . . . . 144 W CA . 52884 1 454 . 1 . 1 144 144 TRP CB C 13 27.09619553 0 . . . . . . . 144 W CB . 52884 1 455 . 1 . 1 144 144 TRP N N 15 124.8418085 0 . . . . . . . 144 W N . 52884 1 456 . 1 . 1 145 145 GLY H H 1 8.752411823 0 . . . . . . . 145 G H . 52884 1 457 . 1 . 1 145 145 GLY C C 13 174.0264177 0 . . . . . . . 145 G C . 52884 1 458 . 1 . 1 145 145 GLY CA C 13 44.37004283 0 . . . . . . . 145 G CA . 52884 1 459 . 1 . 1 145 145 GLY N N 15 106.1056974 0 . . . . . . . 145 G N . 52884 1 460 . 1 . 1 146 146 ARG H H 1 7.776199467 0 . . . . . . . 146 R H . 52884 1 461 . 1 . 1 146 146 ARG CA C 13 53.49443225 0 . . . . . . . 146 R CA . 52884 1 462 . 1 . 1 146 146 ARG CB C 13 27.30573192 0 . . . . . . . 146 R CB . 52884 1 463 . 1 . 1 146 146 ARG N N 15 121.0034203 0 . . . . . . . 146 R N . 52884 1 464 . 1 . 1 148 148 VAL CA C 13 59.37730491 0 . . . . . . . 148 V CA . 52884 1 465 . 1 . 1 148 148 VAL CB C 13 29.01197815 0 . . . . . . . 148 V CB . 52884 1 466 . 1 . 1 149 149 ALA H H 1 8.168240079 0 . . . . . . . 149 A H . 52884 1 467 . 1 . 1 149 149 ALA HA H 1 4.578237325 0 . . . . . . . 149 A HA . 52884 1 468 . 1 . 1 149 149 ALA HB1 H 1 1.611922622 0 . . . . . . . 149 A HB . 52884 1 469 . 1 . 1 149 149 ALA HB2 H 1 1.611922622 0 . . . . . . . 149 A HB . 52884 1 470 . 1 . 1 149 149 ALA HB3 H 1 1.611922622 0 . . . . . . . 149 A HB . 52884 1 471 . 1 . 1 149 149 ALA C C 13 175.0887266 0 . . . . . . . 149 A C . 52884 1 472 . 1 . 1 149 149 ALA CA C 13 49.54340068 0 . . . . . . . 149 A CA . 52884 1 473 . 1 . 1 149 149 ALA CB C 13 16.05274825 0 . . . . . . . 149 A CB . 52884 1 474 . 1 . 1 149 149 ALA N N 15 126.8842933 0 . . . . . . . 149 A N . 52884 1 475 . 1 . 1 151 151 PHE CA C 13 53.63339989 0 . . . . . . . 151 F CA . 52884 1 476 . 1 . 1 151 151 PHE CB C 13 38.49952026 0 . . . . . . . 151 F CB . 52884 1 477 . 1 . 1 152 152 GLU H H 1 7.682572593 0 . . . . . . . 152 E H . 52884 1 478 . 1 . 1 152 152 GLU C C 13 168.0157854 0 . . . . . . . 152 E C . 52884 1 479 . 1 . 1 152 152 GLU CA C 13 54.8535517 0 . . . . . . . 152 E CA . 52884 1 480 . 1 . 1 152 152 GLU CB C 13 36.03813541 0 . . . . . . . 152 E CB . 52884 1 481 . 1 . 1 152 152 GLU N N 15 115.6518809 0 . . . . . . . 152 E N . 52884 1 482 . 1 . 1 153 153 PHE H H 1 7.881521955 0 . . . . . . . 153 F H . 52884 1 483 . 1 . 1 153 153 PHE N N 15 116.1606723 0 . . . . . . . 153 F N . 52884 1 484 . 1 . 1 155 155 GLY H H 1 8.37913409 0 . . . . . . . 155 G H . 52884 1 485 . 1 . 1 155 155 GLY CA C 13 42.24264847 0 . . . . . . . 155 G CA . 52884 1 486 . 1 . 1 155 155 GLY N N 15 109.0765584 0 . . . . . . . 155 G N . 52884 1 487 . 1 . 1 160 160 GLU H H 1 8.213831447 0 . . . . . . . 160 E H . 52884 1 488 . 1 . 1 160 160 GLU C C 13 175.1365645 0 . . . . . . . 160 E C . 52884 1 489 . 1 . 1 160 160 GLU CA C 13 54.98309902 0 . . . . . . . 160 E CA . 52884 1 490 . 1 . 1 160 160 GLU CB C 13 29.95495332 0 . . . . . . . 160 E CB . 52884 1 491 . 1 . 1 160 160 GLU N N 15 119.2923774 0 . . . . . . . 160 E N . 52884 1 492 . 1 . 1 161 161 SER H H 1 8.303755455 0 . . . . . . . 161 S H . 52884 1 493 . 1 . 1 161 161 SER CA C 13 58.26226021 0 . . . . . . . 161 S CA . 52884 1 494 . 1 . 1 161 161 SER CB C 13 60.52569759 0 . . . . . . . 161 S CB . 52884 1 495 . 1 . 1 161 161 SER N N 15 114.2700477 0 . . . . . . . 161 S N . 52884 1 496 . 1 . 1 163 163 ASN CA C 13 55.93496638 0 . . . . . . . 163 N CA . 52884 1 497 . 1 . 1 163 163 ASN CB C 13 38.45356896 0 . . . . . . . 163 N CB . 52884 1 498 . 1 . 1 164 164 ARG H H 1 8.650280032 0 . . . . . . . 164 R H . 52884 1 499 . 1 . 1 164 164 ARG CA C 13 55.15034373 0 . . . . . . . 164 R CA . 52884 1 500 . 1 . 1 164 164 ARG N N 15 117.5292936 0 . . . . . . . 164 R N . 52884 1 501 . 1 . 1 176 176 TRP CA C 13 57.96685349 0 . . . . . . . 176 W CA . 52884 1 502 . 1 . 1 176 176 TRP CB C 13 26.27573361 0 . . . . . . . 176 W CB . 52884 1 503 . 1 . 1 177 177 MET H H 1 8.92335149 0 . . . . . . . 177 M H . 52884 1 504 . 1 . 1 177 177 MET CA C 13 56.19403614 0 . . . . . . . 177 M CA . 52884 1 505 . 1 . 1 177 177 MET CB C 13 29.89520136 0 . . . . . . . 177 M CB . 52884 1 506 . 1 . 1 177 177 MET N N 15 118.0646675 0 . . . . . . . 177 M N . 52884 1 507 . 1 . 1 178 178 THR H H 1 8.32210236 0 . . . . . . . 178 T H . 52884 1 508 . 1 . 1 178 178 THR N N 15 114.2837513 0 . . . . . . . 178 T N . 52884 1 509 . 1 . 1 181 181 LEU CA C 13 55.33839985 0 . . . . . . . 181 L CA . 52884 1 510 . 1 . 1 181 181 LEU CB C 13 38.49541915 0 . . . . . . . 181 L CB . 52884 1 511 . 1 . 1 182 182 ASN H H 1 8.52990442 0 . . . . . . . 182 N H . 52884 1 512 . 1 . 1 182 182 ASN CA C 13 53.76875714 0 . . . . . . . 182 N CA . 52884 1 513 . 1 . 1 182 182 ASN CB C 13 36.07034476 0 . . . . . . . 182 N CB . 52884 1 514 . 1 . 1 182 182 ASN N N 15 117.8535258 0 . . . . . . . 182 N N . 52884 1 515 . 1 . 1 188 188 TRP H H 1 8.037970187 0 . . . . . . . 188 W H . 52884 1 516 . 1 . 1 188 188 TRP C C 13 173.528737 0 . . . . . . . 188 W C . 52884 1 517 . 1 . 1 188 188 TRP CA C 13 19.93110013 0 . . . . . . . 188 W CA . 52884 1 518 . 1 . 1 188 188 TRP CB C 13 26.34457707 0 . . . . . . . 188 W CB . 52884 1 519 . 1 . 1 188 188 TRP N N 15 122.3852756 0 . . . . . . . 188 W N . 52884 1 520 . 1 . 1 192 192 ASN H H 1 8.199662548 0 . . . . . . . 192 N H . 52884 1 521 . 1 . 1 192 192 ASN N N 15 117.5013153 0 . . . . . . . 192 N N . 52884 1 522 . 1 . 1 194 194 GLY H H 1 8.113542 0 . . . . . . . 194 G H . 52884 1 523 . 1 . 1 194 194 GLY C C 13 169.4250682 0 . . . . . . . 194 G C . 52884 1 524 . 1 . 1 194 194 GLY CA C 13 41.79012247 0 . . . . . . . 194 G CA . 52884 1 525 . 1 . 1 194 194 GLY N N 15 108.249286 0 . . . . . . . 194 G N . 52884 1 526 . 1 . 1 195 195 TRP H H 1 8.747487066 0 . . . . . . . 195 W H . 52884 1 527 . 1 . 1 195 195 TRP C C 13 174.5978855 0 . . . . . . . 195 W C . 52884 1 528 . 1 . 1 195 195 TRP CA C 13 57.39292973 0 . . . . . . . 195 W CA . 52884 1 529 . 1 . 1 195 195 TRP CB C 13 27.18456597 0 . . . . . . . 195 W CB . 52884 1 530 . 1 . 1 195 195 TRP N N 15 121.3789636 0 . . . . . . . 195 W N . 52884 1 531 . 1 . 1 196 196 ASP H H 1 8.576273644 0 . . . . . . . 196 D H . 52884 1 532 . 1 . 1 196 196 ASP C C 13 176.5658587 0 . . . . . . . 196 D C . 52884 1 533 . 1 . 1 196 196 ASP CA C 13 57.57212582 0 . . . . . . . 196 D CA . 52884 1 534 . 1 . 1 196 196 ASP CB C 13 29.04285166 0 . . . . . . . 196 D CB . 52884 1 535 . 1 . 1 196 196 ASP N N 15 117.4823966 0 . . . . . . . 196 D N . 52884 1 536 . 1 . 1 197 197 ALA H H 1 7.854096989 0 . . . . . . . 197 A H . 52884 1 537 . 1 . 1 197 197 ALA C C 13 177.1501425 0 . . . . . . . 197 A C . 52884 1 538 . 1 . 1 197 197 ALA CA C 13 51.86075009 0 . . . . . . . 197 A CA . 52884 1 539 . 1 . 1 197 197 ALA CB C 13 15.1676134 0 . . . . . . . 197 A CB . 52884 1 540 . 1 . 1 197 197 ALA N N 15 121.7647862 0 . . . . . . . 197 A N . 52884 1 541 . 1 . 1 198 198 PHE H H 1 8.044575509 0 . . . . . . . 198 F H . 52884 1 542 . 1 . 1 198 198 PHE CA C 13 58.51118438 0 . . . . . . . 198 F CA . 52884 1 543 . 1 . 1 198 198 PHE CB C 13 36.32287308 0 . . . . . . . 198 F CB . 52884 1 544 . 1 . 1 198 198 PHE N N 15 118.8882296 0 . . . . . . . 198 F N . 52884 1 545 . 1 . 1 199 199 VAL H H 1 8.284098997 0 . . . . . . . 199 V H . 52884 1 546 . 1 . 1 199 199 VAL CA C 13 63.54794486 0 . . . . . . . 199 V CA . 52884 1 547 . 1 . 1 199 199 VAL CB C 13 28.3006096 0 . . . . . . . 199 V CB . 52884 1 548 . 1 . 1 199 199 VAL N N 15 118.6599369 0 . . . . . . . 199 V N . 52884 1 549 . 1 . 1 200 200 GLU H H 1 7.914656639 0 . . . . . . . 200 E H . 52884 1 550 . 1 . 1 200 200 GLU CA C 13 63.77767755 0 . . . . . . . 200 E CA . 52884 1 551 . 1 . 1 200 200 GLU N N 15 118.4013058 0 . . . . . . . 200 E N . 52884 1 552 . 1 . 1 202 202 TYR H H 1 7.84918785 0 . . . . . . . 202 Y H . 52884 1 553 . 1 . 1 202 202 TYR N N 15 114.9864415 0 . . . . . . . 202 Y N . 52884 1 554 . 1 . 1 203 203 GLY H H 1 8.339538097 0 . . . . . . . 203 G H . 52884 1 555 . 1 . 1 203 203 GLY CA C 13 42.5639926 0 . . . . . . . 203 G CA . 52884 1 556 . 1 . 1 203 203 GLY N N 15 108.3631 0 . . . . . . . 203 G N . 52884 1 557 . 1 . 1 208 208 PRO CA C 13 60.11357344 0 . . . . . . . 208 P CA . 52884 1 558 . 1 . 1 208 208 PRO CB C 13 28.87830628 0 . . . . . . . 208 P CB . 52884 1 559 . 1 . 1 209 209 LEU H H 1 8.307901034 0 . . . . . . . 209 L H . 52884 1 560 . 1 . 1 209 209 LEU C C 13 174.9798113 0 . . . . . . . 209 L C . 52884 1 561 . 1 . 1 209 209 LEU CA C 13 49.51565829 0 . . . . . . . 209 L CA . 52884 1 562 . 1 . 1 209 209 LEU CB C 13 15.97838348 0 . . . . . . . 209 L CB . 52884 1 563 . 1 . 1 209 209 LEU N N 15 123.996891 0 . . . . . . . 209 L N . 52884 1 564 . 1 . 1 213 213 SER H H 1 8.263747565 0 . . . . . . . 213 S H . 52884 1 565 . 1 . 1 213 213 SER N N 15 119.6945594 0 . . . . . . . 213 S N . 52884 1 566 . 1 . 1 214 214 TRP H H 1 8.250904454 0 . . . . . . . 214 W H . 52884 1 567 . 1 . 1 214 214 TRP CA C 13 56.82069303 0 . . . . . . . 214 W CA . 52884 1 568 . 1 . 1 214 214 TRP CB C 13 26.05368513 0 . . . . . . . 214 W CB . 52884 1 569 . 1 . 1 214 214 TRP N N 15 119.4238917 0 . . . . . . . 214 W N . 52884 1 570 . 1 . 1 215 215 LEU H H 1 7.959022521 0 . . . . . . . 215 L H . 52884 1 571 . 1 . 1 215 215 LEU CA C 13 56.03208324 0 . . . . . . . 215 L CA . 52884 1 572 . 1 . 1 215 215 LEU CB C 13 35.85234448 0 . . . . . . . 215 L CB . 52884 1 573 . 1 . 1 215 215 LEU N N 15 117.6852583 0 . . . . . . . 215 L N . 52884 1 574 . 1 . 1 217 217 LEU H H 1 8.612118077 0 . . . . . . . 217 L H . 52884 1 575 . 1 . 1 217 217 LEU CA C 13 57.04065191 0 . . . . . . . 217 L CA . 52884 1 576 . 1 . 1 217 217 LEU CB C 13 26.27235395 0 . . . . . . . 217 L CB . 52884 1 577 . 1 . 1 217 217 LEU N N 15 117.8265566 0 . . . . . . . 217 L N . 52884 1 578 . 1 . 1 218 218 LYS H H 1 8.301465702 0 . . . . . . . 218 K H . 52884 1 579 . 1 . 1 218 218 LYS CA C 13 62.34816889 0 . . . . . . . 218 K CA . 52884 1 580 . 1 . 1 218 218 LYS CB C 13 34.50352715 0 . . . . . . . 218 K CB . 52884 1 581 . 1 . 1 218 218 LYS N N 15 120.7165889 0 . . . . . . . 218 K N . 52884 1 582 . 1 . 1 219 219 THR H H 1 8.075685738 0 . . . . . . . 219 T H . 52884 1 583 . 1 . 1 219 219 THR CA C 13 64.40008265 0 . . . . . . . 219 T CA . 52884 1 584 . 1 . 1 219 219 THR CB C 13 66.07837031 0 . . . . . . . 219 T CB . 52884 1 585 . 1 . 1 219 219 THR N N 15 116.0352589 0 . . . . . . . 219 T N . 52884 1 586 . 1 . 1 220 220 LEU H H 1 8.542784087 0 . . . . . . . 220 L H . 52884 1 587 . 1 . 1 220 220 LEU C C 13 176.4217737 0 . . . . . . . 220 L C . 52884 1 588 . 1 . 1 220 220 LEU CA C 13 54.99474746 0 . . . . . . . 220 L CA . 52884 1 589 . 1 . 1 220 220 LEU CB C 13 38.45135825 0 . . . . . . . 220 L CB . 52884 1 590 . 1 . 1 220 220 LEU N N 15 121.297131 0 . . . . . . . 220 L N . 52884 1 591 . 1 . 1 221 221 LEU H H 1 7.674216195 0 . . . . . . . 221 L H . 52884 1 592 . 1 . 1 221 221 LEU CA C 13 52.8324507 0 . . . . . . . 221 L CA . 52884 1 593 . 1 . 1 221 221 LEU CB C 13 38.65975339 0 . . . . . . . 221 L CB . 52884 1 594 . 1 . 1 221 221 LEU N N 15 120.7373853 0 . . . . . . . 221 L N . 52884 1 595 . 1 . 1 222 222 SER H H 1 8.01981295 0 . . . . . . . 222 S H . 52884 1 596 . 1 . 1 222 222 SER CA C 13 55.3496458 0 . . . . . . . 222 S CA . 52884 1 597 . 1 . 1 222 222 SER CB C 13 62.78256238 0 . . . . . . . 222 S CB . 52884 1 598 . 1 . 1 222 222 SER N N 15 116.8373655 0 . . . . . . . 222 S N . 52884 1 599 . 1 . 1 226 226 VAL H H 1 8.363224259 0 . . . . . . . 226 V H . 52884 1 600 . 1 . 1 226 226 VAL N N 15 122.8373543 0 . . . . . . . 226 V N . 52884 1 601 . 1 . 1 227 227 GLY H H 1 8.469744946 0 . . . . . . . 227 G H . 52884 1 602 . 1 . 1 227 227 GLY CA C 13 44.62967067 0 . . . . . . . 227 G CA . 52884 1 603 . 1 . 1 227 227 GLY N N 15 106.340892 0 . . . . . . . 227 G N . 52884 1 604 . 1 . 1 229 229 CYS CB C 13 24.13092007 0 . . . . . . . 229 C CB . 52884 1 605 . 1 . 1 230 230 ILE H H 1 8.416047733 0 . . . . . . . 230 I H . 52884 1 606 . 1 . 1 230 230 ILE N N 15 118.4244443 0 . . . . . . . 230 I N . 52884 1 607 . 1 . 1 232 232 LEU CA C 13 64.45298485 0 . . . . . . . 232 L CA . 52884 1 608 . 1 . 1 232 232 LEU CB C 13 27.92733943 0 . . . . . . . 232 L CB . 52884 1 609 . 1 . 1 233 233 GLY H H 1 8.924164851 0 . . . . . . . 233 G H . 52884 1 610 . 1 . 1 233 233 GLY CA C 13 44.5727282 0 . . . . . . . 233 G CA . 52884 1 611 . 1 . 1 233 233 GLY N N 15 106.8997262 0 . . . . . . . 233 G N . 52884 1 612 . 1 . 1 234 234 ALA H H 1 9.026127721 0 . . . . . . . 234 A H . 52884 1 613 . 1 . 1 234 234 ALA CA C 13 52.76743652 0 . . . . . . . 234 A CA . 52884 1 614 . 1 . 1 234 234 ALA CB C 13 14.62861641 0 . . . . . . . 234 A CB . 52884 1 615 . 1 . 1 234 234 ALA N N 15 126.2198421 0 . . . . . . . 234 A N . 52884 1 616 . 1 . 1 235 235 TYR H H 1 8.348269718 0 . . . . . . . 235 Y H . 52884 1 617 . 1 . 1 235 235 TYR CA C 13 57.5669818 0 . . . . . . . 235 Y CA . 52884 1 618 . 1 . 1 235 235 TYR CB C 13 25.13680993 0 . . . . . . . 235 Y CB . 52884 1 619 . 1 . 1 235 235 TYR N N 15 116.6386115 0 . . . . . . . 235 Y N . 52884 1 620 . 1 . 1 236 236 LEU H H 1 8.384234423 0 . . . . . . . 236 L H . 52884 1 621 . 1 . 1 236 236 LEU CA C 13 57.86901626 0 . . . . . . . 236 L CA . 52884 1 622 . 1 . 1 236 236 LEU CB C 13 34.83685466 0 . . . . . . . 236 L CB . 52884 1 623 . 1 . 1 236 236 LEU N N 15 121.1297373 0 . . . . . . . 236 L N . 52884 1 624 . 1 . 1 237 237 GLY H H 1 8.054534274 0 . . . . . . . 237 G H . 52884 1 625 . 1 . 1 237 237 GLY C C 13 171.1306885 0 . . . . . . . 237 G C . 52884 1 626 . 1 . 1 237 237 GLY CA C 13 42.88535663 0 . . . . . . . 237 G CA . 52884 1 627 . 1 . 1 237 237 GLY N N 15 106.0575477 0 . . . . . . . 237 G N . 52884 1 628 . 1 . 1 238 238 HIS H H 1 8.498384667 0 . . . . . . . 238 H H . 52884 1 629 . 1 . 1 238 238 HIS CA C 13 55.18961233 0 . . . . . . . 238 H CA . 52884 1 630 . 1 . 1 238 238 HIS CB C 13 27.138255 0 . . . . . . . 238 H CB . 52884 1 631 . 1 . 1 238 238 HIS N N 15 121.7731322 0 . . . . . . . 238 H N . 52884 1 632 . 1 . 1 239 239 LYS H H 1 8.682346919 0 . . . . . . . 239 K H . 52884 1 633 . 1 . 1 239 239 LYS CA C 13 57.80921205 0 . . . . . . . 239 K CA . 52884 1 634 . 1 . 1 239 239 LYS CB C 13 35.94027706 0 . . . . . . . 239 K CB . 52884 1 635 . 1 . 1 239 239 LYS N N 15 119.411202 0 . . . . . . . 239 K N . 52884 1 stop_ save_