data_16965 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16965 _Entry.Title ; Backbone NMR assignment of the globular domain of HET-s(1-227) prion protein. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-05-30 _Entry.Accession_date 2010-05-30 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _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.Entry_ID 1 Anne Schuetz . . . 16965 2 Jason Greenwald . . . 16965 3 Roland Riek . . . 16965 4 Anja Bockmann . . . 16965 5 Beat Meier . H. . 16965 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16965 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 367 16965 '15N chemical shifts' 188 16965 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 . . 2010-08-19 2010-05-30 update BMRB 'complete entry citation' 16965 1 . . 2010-06-30 2010-05-30 original author 'original release' 16965 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 16964 'HET-s(1-227) solution state' 16965 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16965 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20572250 _Citation.Full_citation . _Citation.Title 'Protocols for the sequential solid-state NMR spectroscopic assignment of a uniformly labeled 25 kDa protein: HET-s(1-227).' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Chembiochem _Citation.Journal_name_full 'Chembiochem : a European journal of chemical biology' _Citation.Journal_volume 11 _Citation.Journal_issue 11 _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 1543 _Citation.Page_last 1551 _Citation.Year 2010 _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.Entry_ID _Citation_author.Citation_ID 1 Anne Schuetz . . . 16965 1 2 Christian Wasmer . . . 16965 1 3 Birgit Habenstein . . . 16965 1 4 Rene Verel . . . 16965 1 5 Jason Greenwald . . . 16965 1 6 Roland Riek . . . 16965 1 7 Anja Bockmann . . . 16965 1 8 Beat Meier . H. . 16965 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'prion proteins' 16965 1 'sequence determination' 16965 1 'solid-state NMR' 16965 1 spectroscopy 16965 1 'structure determination' 16965 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16965 _Assembly.ID 1 _Assembly.Name HET-s(1-227) _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 25470 _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 HET-s(1-227) 1 $HET-s A . yes native no no 1 . . 16965 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HET-s _Entity.Sf_category entity _Entity.Sf_framecode HET-s _Entity.Entry_ID 16965 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HET-s _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 ; GSMSEPFGIVAGALNVAGLF NNCVDCFEYVQLGRPFGRDY ERCQLRLDIAKARLSRWGEA VKINDDPRFHSSAPTDKSVQ LAKSIVEEILLLFESAQKTS KRYELVADQQDLVVFEDKDM KPIGRALHRRLNDLVSRRQK QTSLAKKTAWALYDGKSLEK IVDQVARFVDELEKAFPIEA VCHKLAEIEIEEVEDEASLT ILKDAAGGIDAAMSDAAAQK IDAIVGRNS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; The first two residues represent non-native remainders of a cleaved HIS-tag. This is the globular domain of a prion protein. ; _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 229 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 25470 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16964 . HET-s . . . . . 100.00 229 100.00 100.00 2.52e-164 . . . . 16965 1 2 no PDB 2WVN . "Structure Of The Het-S N-Terminal Domain" . . . . . 100.00 229 99.56 99.56 2.22e-163 . . . . 16965 1 3 no GB AAB19707 . "s gene 30 kDa polypeptide [Podospora anserina=fungus, Peptide, 289 aa]" . . . . . 99.13 289 99.56 99.56 2.20e-161 . . . . 16965 1 4 no GB AAB94631 . "small s protein [Podospora anserina]" . . . . . 99.13 289 99.56 99.56 1.83e-161 . . . . 16965 1 5 no PRF 1718317A . "vegetative incompatibility gene s" . . . . . 99.13 289 99.12 99.12 5.60e-160 . . . . 16965 1 6 no SP Q03689 . "RecName: Full=Heterokaryon incompatibility protein s; AltName: Full=Small s protein; AltName: Full=Vegetative incompatibility p" . . . . . 99.13 289 99.56 99.56 1.83e-161 . . . . 16965 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'heterokaryon incompatibility' 16965 1 'prion protein' 16965 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -1 GLY . 16965 1 2 0 SER . 16965 1 3 1 MET . 16965 1 4 2 SER . 16965 1 5 3 GLU . 16965 1 6 4 PRO . 16965 1 7 5 PHE . 16965 1 8 6 GLY . 16965 1 9 7 ILE . 16965 1 10 8 VAL . 16965 1 11 9 ALA . 16965 1 12 10 GLY . 16965 1 13 11 ALA . 16965 1 14 12 LEU . 16965 1 15 13 ASN . 16965 1 16 14 VAL . 16965 1 17 15 ALA . 16965 1 18 16 GLY . 16965 1 19 17 LEU . 16965 1 20 18 PHE . 16965 1 21 19 ASN . 16965 1 22 20 ASN . 16965 1 23 21 CYS . 16965 1 24 22 VAL . 16965 1 25 23 ASP . 16965 1 26 24 CYS . 16965 1 27 25 PHE . 16965 1 28 26 GLU . 16965 1 29 27 TYR . 16965 1 30 28 VAL . 16965 1 31 29 GLN . 16965 1 32 30 LEU . 16965 1 33 31 GLY . 16965 1 34 32 ARG . 16965 1 35 33 PRO . 16965 1 36 34 PHE . 16965 1 37 35 GLY . 16965 1 38 36 ARG . 16965 1 39 37 ASP . 16965 1 40 38 TYR . 16965 1 41 39 GLU . 16965 1 42 40 ARG . 16965 1 43 41 CYS . 16965 1 44 42 GLN . 16965 1 45 43 LEU . 16965 1 46 44 ARG . 16965 1 47 45 LEU . 16965 1 48 46 ASP . 16965 1 49 47 ILE . 16965 1 50 48 ALA . 16965 1 51 49 LYS . 16965 1 52 50 ALA . 16965 1 53 51 ARG . 16965 1 54 52 LEU . 16965 1 55 53 SER . 16965 1 56 54 ARG . 16965 1 57 55 TRP . 16965 1 58 56 GLY . 16965 1 59 57 GLU . 16965 1 60 58 ALA . 16965 1 61 59 VAL . 16965 1 62 60 LYS . 16965 1 63 61 ILE . 16965 1 64 62 ASN . 16965 1 65 63 ASP . 16965 1 66 64 ASP . 16965 1 67 65 PRO . 16965 1 68 66 ARG . 16965 1 69 67 PHE . 16965 1 70 68 HIS . 16965 1 71 69 SER . 16965 1 72 70 SER . 16965 1 73 71 ALA . 16965 1 74 72 PRO . 16965 1 75 73 THR . 16965 1 76 74 ASP . 16965 1 77 75 LYS . 16965 1 78 76 SER . 16965 1 79 77 VAL . 16965 1 80 78 GLN . 16965 1 81 79 LEU . 16965 1 82 80 ALA . 16965 1 83 81 LYS . 16965 1 84 82 SER . 16965 1 85 83 ILE . 16965 1 86 84 VAL . 16965 1 87 85 GLU . 16965 1 88 86 GLU . 16965 1 89 87 ILE . 16965 1 90 88 LEU . 16965 1 91 89 LEU . 16965 1 92 90 LEU . 16965 1 93 91 PHE . 16965 1 94 92 GLU . 16965 1 95 93 SER . 16965 1 96 94 ALA . 16965 1 97 95 GLN . 16965 1 98 96 LYS . 16965 1 99 97 THR . 16965 1 100 98 SER . 16965 1 101 99 LYS . 16965 1 102 100 ARG . 16965 1 103 101 TYR . 16965 1 104 102 GLU . 16965 1 105 103 LEU . 16965 1 106 104 VAL . 16965 1 107 105 ALA . 16965 1 108 106 ASP . 16965 1 109 107 GLN . 16965 1 110 108 GLN . 16965 1 111 109 ASP . 16965 1 112 110 LEU . 16965 1 113 111 VAL . 16965 1 114 112 VAL . 16965 1 115 113 PHE . 16965 1 116 114 GLU . 16965 1 117 115 ASP . 16965 1 118 116 LYS . 16965 1 119 117 ASP . 16965 1 120 118 MET . 16965 1 121 119 LYS . 16965 1 122 120 PRO . 16965 1 123 121 ILE . 16965 1 124 122 GLY . 16965 1 125 123 ARG . 16965 1 126 124 ALA . 16965 1 127 125 LEU . 16965 1 128 126 HIS . 16965 1 129 127 ARG . 16965 1 130 128 ARG . 16965 1 131 129 LEU . 16965 1 132 130 ASN . 16965 1 133 131 ASP . 16965 1 134 132 LEU . 16965 1 135 133 VAL . 16965 1 136 134 SER . 16965 1 137 135 ARG . 16965 1 138 136 ARG . 16965 1 139 137 GLN . 16965 1 140 138 LYS . 16965 1 141 139 GLN . 16965 1 142 140 THR . 16965 1 143 141 SER . 16965 1 144 142 LEU . 16965 1 145 143 ALA . 16965 1 146 144 LYS . 16965 1 147 145 LYS . 16965 1 148 146 THR . 16965 1 149 147 ALA . 16965 1 150 148 TRP . 16965 1 151 149 ALA . 16965 1 152 150 LEU . 16965 1 153 151 TYR . 16965 1 154 152 ASP . 16965 1 155 153 GLY . 16965 1 156 154 LYS . 16965 1 157 155 SER . 16965 1 158 156 LEU . 16965 1 159 157 GLU . 16965 1 160 158 LYS . 16965 1 161 159 ILE . 16965 1 162 160 VAL . 16965 1 163 161 ASP . 16965 1 164 162 GLN . 16965 1 165 163 VAL . 16965 1 166 164 ALA . 16965 1 167 165 ARG . 16965 1 168 166 PHE . 16965 1 169 167 VAL . 16965 1 170 168 ASP . 16965 1 171 169 GLU . 16965 1 172 170 LEU . 16965 1 173 171 GLU . 16965 1 174 172 LYS . 16965 1 175 173 ALA . 16965 1 176 174 PHE . 16965 1 177 175 PRO . 16965 1 178 176 ILE . 16965 1 179 177 GLU . 16965 1 180 178 ALA . 16965 1 181 179 VAL . 16965 1 182 180 CYS . 16965 1 183 181 HIS . 16965 1 184 182 LYS . 16965 1 185 183 LEU . 16965 1 186 184 ALA . 16965 1 187 185 GLU . 16965 1 188 186 ILE . 16965 1 189 187 GLU . 16965 1 190 188 ILE . 16965 1 191 189 GLU . 16965 1 192 190 GLU . 16965 1 193 191 VAL . 16965 1 194 192 GLU . 16965 1 195 193 ASP . 16965 1 196 194 GLU . 16965 1 197 195 ALA . 16965 1 198 196 SER . 16965 1 199 197 LEU . 16965 1 200 198 THR . 16965 1 201 199 ILE . 16965 1 202 200 LEU . 16965 1 203 201 LYS . 16965 1 204 202 ASP . 16965 1 205 203 ALA . 16965 1 206 204 ALA . 16965 1 207 205 GLY . 16965 1 208 206 GLY . 16965 1 209 207 ILE . 16965 1 210 208 ASP . 16965 1 211 209 ALA . 16965 1 212 210 ALA . 16965 1 213 211 MET . 16965 1 214 212 SER . 16965 1 215 213 ASP . 16965 1 216 214 ALA . 16965 1 217 215 ALA . 16965 1 218 216 ALA . 16965 1 219 217 GLN . 16965 1 220 218 LYS . 16965 1 221 219 ILE . 16965 1 222 220 ASP . 16965 1 223 221 ALA . 16965 1 224 222 ILE . 16965 1 225 223 VAL . 16965 1 226 224 GLY . 16965 1 227 225 ARG . 16965 1 228 226 ASN . 16965 1 229 227 SER . 16965 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 . GLY 1 1 16965 1 . SER 2 2 16965 1 . MET 3 3 16965 1 . SER 4 4 16965 1 . GLU 5 5 16965 1 . PRO 6 6 16965 1 . PHE 7 7 16965 1 . GLY 8 8 16965 1 . ILE 9 9 16965 1 . VAL 10 10 16965 1 . ALA 11 11 16965 1 . GLY 12 12 16965 1 . ALA 13 13 16965 1 . LEU 14 14 16965 1 . ASN 15 15 16965 1 . VAL 16 16 16965 1 . ALA 17 17 16965 1 . GLY 18 18 16965 1 . LEU 19 19 16965 1 . PHE 20 20 16965 1 . ASN 21 21 16965 1 . ASN 22 22 16965 1 . CYS 23 23 16965 1 . VAL 24 24 16965 1 . ASP 25 25 16965 1 . CYS 26 26 16965 1 . PHE 27 27 16965 1 . GLU 28 28 16965 1 . TYR 29 29 16965 1 . VAL 30 30 16965 1 . GLN 31 31 16965 1 . LEU 32 32 16965 1 . GLY 33 33 16965 1 . ARG 34 34 16965 1 . PRO 35 35 16965 1 . PHE 36 36 16965 1 . GLY 37 37 16965 1 . ARG 38 38 16965 1 . ASP 39 39 16965 1 . TYR 40 40 16965 1 . GLU 41 41 16965 1 . ARG 42 42 16965 1 . CYS 43 43 16965 1 . GLN 44 44 16965 1 . LEU 45 45 16965 1 . ARG 46 46 16965 1 . LEU 47 47 16965 1 . ASP 48 48 16965 1 . ILE 49 49 16965 1 . ALA 50 50 16965 1 . LYS 51 51 16965 1 . ALA 52 52 16965 1 . ARG 53 53 16965 1 . LEU 54 54 16965 1 . SER 55 55 16965 1 . ARG 56 56 16965 1 . TRP 57 57 16965 1 . GLY 58 58 16965 1 . GLU 59 59 16965 1 . ALA 60 60 16965 1 . VAL 61 61 16965 1 . LYS 62 62 16965 1 . ILE 63 63 16965 1 . ASN 64 64 16965 1 . ASP 65 65 16965 1 . ASP 66 66 16965 1 . PRO 67 67 16965 1 . ARG 68 68 16965 1 . PHE 69 69 16965 1 . HIS 70 70 16965 1 . SER 71 71 16965 1 . SER 72 72 16965 1 . ALA 73 73 16965 1 . PRO 74 74 16965 1 . THR 75 75 16965 1 . ASP 76 76 16965 1 . LYS 77 77 16965 1 . SER 78 78 16965 1 . VAL 79 79 16965 1 . GLN 80 80 16965 1 . LEU 81 81 16965 1 . ALA 82 82 16965 1 . LYS 83 83 16965 1 . SER 84 84 16965 1 . ILE 85 85 16965 1 . VAL 86 86 16965 1 . GLU 87 87 16965 1 . GLU 88 88 16965 1 . ILE 89 89 16965 1 . LEU 90 90 16965 1 . LEU 91 91 16965 1 . LEU 92 92 16965 1 . PHE 93 93 16965 1 . GLU 94 94 16965 1 . SER 95 95 16965 1 . ALA 96 96 16965 1 . GLN 97 97 16965 1 . LYS 98 98 16965 1 . THR 99 99 16965 1 . SER 100 100 16965 1 . LYS 101 101 16965 1 . ARG 102 102 16965 1 . TYR 103 103 16965 1 . GLU 104 104 16965 1 . LEU 105 105 16965 1 . VAL 106 106 16965 1 . ALA 107 107 16965 1 . ASP 108 108 16965 1 . GLN 109 109 16965 1 . GLN 110 110 16965 1 . ASP 111 111 16965 1 . LEU 112 112 16965 1 . VAL 113 113 16965 1 . VAL 114 114 16965 1 . PHE 115 115 16965 1 . GLU 116 116 16965 1 . ASP 117 117 16965 1 . LYS 118 118 16965 1 . ASP 119 119 16965 1 . MET 120 120 16965 1 . LYS 121 121 16965 1 . PRO 122 122 16965 1 . ILE 123 123 16965 1 . GLY 124 124 16965 1 . ARG 125 125 16965 1 . ALA 126 126 16965 1 . LEU 127 127 16965 1 . HIS 128 128 16965 1 . ARG 129 129 16965 1 . ARG 130 130 16965 1 . LEU 131 131 16965 1 . ASN 132 132 16965 1 . ASP 133 133 16965 1 . LEU 134 134 16965 1 . VAL 135 135 16965 1 . SER 136 136 16965 1 . ARG 137 137 16965 1 . ARG 138 138 16965 1 . GLN 139 139 16965 1 . LYS 140 140 16965 1 . GLN 141 141 16965 1 . THR 142 142 16965 1 . SER 143 143 16965 1 . LEU 144 144 16965 1 . ALA 145 145 16965 1 . LYS 146 146 16965 1 . LYS 147 147 16965 1 . THR 148 148 16965 1 . ALA 149 149 16965 1 . TRP 150 150 16965 1 . ALA 151 151 16965 1 . LEU 152 152 16965 1 . TYR 153 153 16965 1 . ASP 154 154 16965 1 . GLY 155 155 16965 1 . LYS 156 156 16965 1 . SER 157 157 16965 1 . LEU 158 158 16965 1 . GLU 159 159 16965 1 . LYS 160 160 16965 1 . ILE 161 161 16965 1 . VAL 162 162 16965 1 . ASP 163 163 16965 1 . GLN 164 164 16965 1 . VAL 165 165 16965 1 . ALA 166 166 16965 1 . ARG 167 167 16965 1 . PHE 168 168 16965 1 . VAL 169 169 16965 1 . ASP 170 170 16965 1 . GLU 171 171 16965 1 . LEU 172 172 16965 1 . GLU 173 173 16965 1 . LYS 174 174 16965 1 . ALA 175 175 16965 1 . PHE 176 176 16965 1 . PRO 177 177 16965 1 . ILE 178 178 16965 1 . GLU 179 179 16965 1 . ALA 180 180 16965 1 . VAL 181 181 16965 1 . CYS 182 182 16965 1 . HIS 183 183 16965 1 . LYS 184 184 16965 1 . LEU 185 185 16965 1 . ALA 186 186 16965 1 . GLU 187 187 16965 1 . ILE 188 188 16965 1 . GLU 189 189 16965 1 . ILE 190 190 16965 1 . GLU 191 191 16965 1 . GLU 192 192 16965 1 . VAL 193 193 16965 1 . GLU 194 194 16965 1 . ASP 195 195 16965 1 . GLU 196 196 16965 1 . ALA 197 197 16965 1 . SER 198 198 16965 1 . LEU 199 199 16965 1 . THR 200 200 16965 1 . ILE 201 201 16965 1 . LEU 202 202 16965 1 . LYS 203 203 16965 1 . ASP 204 204 16965 1 . ALA 205 205 16965 1 . ALA 206 206 16965 1 . GLY 207 207 16965 1 . GLY 208 208 16965 1 . ILE 209 209 16965 1 . ASP 210 210 16965 1 . ALA 211 211 16965 1 . ALA 212 212 16965 1 . MET 213 213 16965 1 . SER 214 214 16965 1 . ASP 215 215 16965 1 . ALA 216 216 16965 1 . ALA 217 217 16965 1 . ALA 218 218 16965 1 . GLN 219 219 16965 1 . LYS 220 220 16965 1 . ILE 221 221 16965 1 . ASP 222 222 16965 1 . ALA 223 223 16965 1 . ILE 224 224 16965 1 . VAL 225 225 16965 1 . GLY 226 226 16965 1 . ARG 227 227 16965 1 . ASN 228 228 16965 1 . SER 229 229 16965 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 16965 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $HET-s . 5145 organism . 'Podospora anserina' ascomycetes . . Eukaryota Fungi Podospora anserina . . . . . . . . . . . . . . . . . . . . . 16965 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 16965 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $HET-s . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . . . . . . . . . . . pET . . . . . . 16965 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16965 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _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 HET-s '[U-100% 13C; U-100% 15N; U-99% 2H]' . . 1 $HET-s . . 1 . . mM . . . . 16965 1 2 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 16965 1 3 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 16965 1 4 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 16965 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16965 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16965 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 16965 _Sample_condition_list.ID 1 _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' 70 5 mM 16965 1 pH 7 0.1 pH 16965 1 pressure 1 . atm 16965 1 temperature 297 1 K 16965 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16965 _Software.ID 1 _Software.Name SPARKY _Software.Version 3.115 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16965 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16965 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16965 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16965 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 . . . 16965 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 16965 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16965 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16965 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16965 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16965 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16965 _Chem_shift_reference.ID 1 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 16965 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 16965 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16965 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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' . . . 16965 1 2 '3D HNCA' . . . 16965 1 3 '3D HNCACB' . . . 16965 1 4 '3D HNCO' . . . 16965 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 PRO CA C 13 63.3 0.2 . 1 . . . . 4 P CA . 16965 1 2 . 1 1 6 6 PRO CB C 13 31.4 0.2 . 1 . . . . 4 P CB . 16965 1 3 . 1 1 7 7 PHE CA C 13 58.3 0.2 . 1 . . . . 5 F CA . 16965 1 4 . 1 1 7 7 PHE CB C 13 38.3 0.2 . 1 . . . . 5 F CB . 16965 1 5 . 1 1 7 7 PHE N N 15 119.2 0.2 . 1 . . . . 5 F N . 16965 1 6 . 1 1 8 8 GLY CA C 13 45.5 0.2 . 1 . . . . 6 G CA . 16965 1 7 . 1 1 8 8 GLY N N 15 109.1 0.2 . 1 . . . . 6 G N . 16965 1 8 . 1 1 9 9 ILE CA C 13 61.3 0.2 . 1 . . . . 7 I CA . 16965 1 9 . 1 1 9 9 ILE CB C 13 38.0 0.2 . 1 . . . . 7 I CB . 16965 1 10 . 1 1 9 9 ILE N N 15 121.0 0.2 . 1 . . . . 7 I N . 16965 1 11 . 1 1 10 10 VAL CA C 13 61.9 0.2 . 1 . . . . 8 V CA . 16965 1 12 . 1 1 10 10 VAL CB C 13 32.0 0.2 . 1 . . . . 8 V CB . 16965 1 13 . 1 1 10 10 VAL N N 15 125.0 0.2 . 1 . . . . 8 V N . 16965 1 14 . 1 1 11 11 ALA CA C 13 53.4 0.2 . 1 . . . . 9 A CA . 16965 1 15 . 1 1 11 11 ALA CB C 13 18.5 0.2 . 1 . . . . 9 A CB . 16965 1 16 . 1 1 11 11 ALA N N 15 128.7 0.2 . 1 . . . . 9 A N . 16965 1 17 . 1 1 12 12 GLY CA C 13 45.5 0.2 . 1 . . . . 10 G CA . 16965 1 18 . 1 1 12 12 GLY N N 15 108.4 0.2 . 1 . . . . 10 G N . 16965 1 19 . 1 1 13 13 ALA CA C 13 52.4 0.2 . 1 . . . . 11 A CA . 16965 1 20 . 1 1 13 13 ALA CB C 13 19.3 0.2 . 1 . . . . 11 A CB . 16965 1 21 . 1 1 13 13 ALA N N 15 123.0 0.2 . 1 . . . . 11 A N . 16965 1 22 . 1 1 14 14 LEU CA C 13 54.5 0.2 . 1 . . . . 12 L CA . 16965 1 23 . 1 1 14 14 LEU CB C 13 43.2 0.2 . 1 . . . . 12 L CB . 16965 1 24 . 1 1 14 14 LEU N N 15 120.4 0.2 . 1 . . . . 12 L N . 16965 1 25 . 1 1 15 15 ASN CA C 13 51.0 0.2 . 1 . . . . 13 N CA . 16965 1 26 . 1 1 15 15 ASN CB C 13 38.6 0.2 . 1 . . . . 13 N CB . 16965 1 27 . 1 1 15 15 ASN N N 15 116.5 0.2 . 1 . . . . 13 N N . 16965 1 28 . 1 1 16 16 VAL CA C 13 67.9 0.2 . 1 . . . . 14 V CA . 16965 1 29 . 1 1 16 16 VAL CB C 13 30.8 0.2 . 1 . . . . 14 V CB . 16965 1 30 . 1 1 16 16 VAL N N 15 117.0 0.2 . 1 . . . . 14 V N . 16965 1 31 . 1 1 17 17 ALA CA C 13 55.8 0.2 . 1 . . . . 15 A CA . 16965 1 32 . 1 1 17 17 ALA CB C 13 17.5 0.2 . 1 . . . . 15 A CB . 16965 1 33 . 1 1 17 17 ALA N N 15 121.4 0.2 . 1 . . . . 15 A N . 16965 1 34 . 1 1 18 18 GLY CA C 13 47.4 0.2 . 1 . . . . 16 G CA . 16965 1 35 . 1 1 18 18 GLY N N 15 107.3 0.2 . 1 . . . . 16 G N . 16965 1 36 . 1 1 19 19 LEU CA C 13 58.7 0.2 . 1 . . . . 17 L CA . 16965 1 37 . 1 1 19 19 LEU CB C 13 42.4 0.2 . 1 . . . . 17 L CB . 16965 1 38 . 1 1 19 19 LEU N N 15 126.3 0.2 . 1 . . . . 17 L N . 16965 1 39 . 1 1 20 20 PHE CA C 13 62.4 0.2 . 1 . . . . 18 F CA . 16965 1 40 . 1 1 20 20 PHE CB C 13 39.1 0.2 . 1 . . . . 18 F CB . 16965 1 41 . 1 1 20 20 PHE N N 15 120.6 0.2 . 1 . . . . 18 F N . 16965 1 42 . 1 1 21 21 ASN CA C 13 56.8 0.2 . 1 . . . . 19 N CA . 16965 1 43 . 1 1 21 21 ASN CB C 13 38.3 0.2 . 1 . . . . 19 N CB . 16965 1 44 . 1 1 21 21 ASN N N 15 118.9 0.2 . 1 . . . . 19 N N . 16965 1 45 . 1 1 22 22 ASN CA C 13 57.9 0.2 . 1 . . . . 20 N CA . 16965 1 46 . 1 1 22 22 ASN CB C 13 39.9 0.2 . 1 . . . . 20 N CB . 16965 1 47 . 1 1 22 22 ASN N N 15 117.9 0.2 . 1 . . . . 20 N N . 16965 1 48 . 1 1 23 23 CYS CA C 13 63.6 0.2 . 1 . . . . 21 C CA . 16965 1 49 . 1 1 23 23 CYS CB C 13 26.7 0.2 . 1 . . . . 21 C CB . 16965 1 50 . 1 1 23 23 CYS N N 15 121.9 0.2 . 1 . . . . 21 C N . 16965 1 51 . 1 1 24 24 VAL CA C 13 66.9 0.2 . 1 . . . . 22 V CA . 16965 1 52 . 1 1 24 24 VAL N N 15 118.0 0.2 . 1 . . . . 22 V N . 16965 1 53 . 1 1 25 25 ASP CA C 13 56.7 0.2 . 1 . . . . 23 D CA . 16965 1 54 . 1 1 25 25 ASP CB C 13 43.7 0.2 . 1 . . . . 23 D CB . 16965 1 55 . 1 1 25 25 ASP N N 15 117.4 0.2 . 1 . . . . 23 D N . 16965 1 56 . 1 1 26 26 CYS CA C 13 65.2 0.2 . 1 . . . . 24 C CA . 16965 1 57 . 1 1 26 26 CYS CB C 13 26.2 0.2 . 1 . . . . 24 C CB . 16965 1 58 . 1 1 26 26 CYS N N 15 115.0 0.2 . 1 . . . . 24 C N . 16965 1 59 . 1 1 27 27 PHE CA C 13 62.2 0.2 . 1 . . . . 25 F CA . 16965 1 60 . 1 1 27 27 PHE CB C 13 39.7 0.2 . 1 . . . . 25 F CB . 16965 1 61 . 1 1 27 27 PHE N N 15 114.2 0.2 . 1 . . . . 25 F N . 16965 1 62 . 1 1 28 28 GLU CA C 13 56.9 0.2 . 1 . . . . 26 E CA . 16965 1 63 . 1 1 28 28 GLU CB C 13 28.4 0.2 . 1 . . . . 26 E CB . 16965 1 64 . 1 1 28 28 GLU N N 15 116.2 0.2 . 1 . . . . 26 E N . 16965 1 65 . 1 1 29 29 TYR CA C 13 59.0 0.2 . 1 . . . . 27 Y CA . 16965 1 66 . 1 1 29 29 TYR CB C 13 39.4 0.2 . 1 . . . . 27 Y CB . 16965 1 67 . 1 1 29 29 TYR N N 15 116.3 0.2 . 1 . . . . 27 Y N . 16965 1 68 . 1 1 30 30 VAL CA C 13 61.5 0.2 . 1 . . . . 28 V CA . 16965 1 69 . 1 1 30 30 VAL CB C 13 31.8 0.2 . 1 . . . . 28 V CB . 16965 1 70 . 1 1 30 30 VAL N N 15 117.8 0.2 . 1 . . . . 28 V N . 16965 1 71 . 1 1 31 31 GLN CA C 13 53.4 0.2 . 1 . . . . 29 Q CA . 16965 1 72 . 1 1 31 31 GLN CB C 13 31.0 0.2 . 1 . . . . 29 Q CB . 16965 1 73 . 1 1 31 31 GLN N N 15 127.6 0.2 . 1 . . . . 29 Q N . 16965 1 74 . 1 1 32 32 LEU CA C 13 54.7 0.2 . 1 . . . . 30 L CA . 16965 1 75 . 1 1 32 32 LEU CB C 13 40.4 0.2 . 1 . . . . 30 L CB . 16965 1 76 . 1 1 32 32 LEU N N 15 121.8 0.2 . 1 . . . . 30 L N . 16965 1 77 . 1 1 33 33 GLY CA C 13 43.8 0.2 . 1 . . . . 31 G CA . 16965 1 78 . 1 1 33 33 GLY N N 15 107.2 0.2 . 1 . . . . 31 G N . 16965 1 79 . 1 1 34 34 ARG CA C 13 59.5 0.2 . 1 . . . . 32 R CA . 16965 1 80 . 1 1 34 34 ARG CB C 13 28.9 0.2 . 1 . . . . 32 R CB . 16965 1 81 . 1 1 34 34 ARG N N 15 120.1 0.2 . 1 . . . . 32 R N . 16965 1 82 . 1 1 35 35 PRO CB C 13 30.9 0.2 . 1 . . . . 33 P CB . 16965 1 83 . 1 1 36 36 PHE CA C 13 62.8 0.2 . 1 . . . . 34 F CA . 16965 1 84 . 1 1 36 36 PHE CB C 13 38.9 0.2 . 1 . . . . 34 F CB . 16965 1 85 . 1 1 36 36 PHE N N 15 114.1 0.2 . 1 . . . . 34 F N . 16965 1 86 . 1 1 37 37 GLY CA C 13 47.3 0.2 . 1 . . . . 35 G CA . 16965 1 87 . 1 1 37 37 GLY N N 15 107.1 0.2 . 1 . . . . 35 G N . 16965 1 88 . 1 1 38 38 ARG CA C 13 57.7 0.2 . 1 . . . . 36 R CA . 16965 1 89 . 1 1 38 38 ARG N N 15 125.1 0.2 . 1 . . . . 36 R N . 16965 1 90 . 1 1 39 39 ASP CA C 13 54.9 0.2 . 1 . . . . 37 D CA . 16965 1 91 . 1 1 39 39 ASP CB C 13 41.3 0.2 . 1 . . . . 37 D CB . 16965 1 92 . 1 1 39 39 ASP N N 15 119.9 0.2 . 1 . . . . 37 D N . 16965 1 93 . 1 1 40 40 TYR CA C 13 61.1 0.2 . 1 . . . . 38 Y CA . 16965 1 94 . 1 1 40 40 TYR CB C 13 36.8 0.2 . 1 . . . . 38 Y CB . 16965 1 95 . 1 1 40 40 TYR N N 15 120.5 0.2 . 1 . . . . 38 Y N . 16965 1 96 . 1 1 41 41 GLU CA C 13 60.4 0.2 . 1 . . . . 39 E CA . 16965 1 97 . 1 1 41 41 GLU CB C 13 30.0 0.2 . 1 . . . . 39 E CB . 16965 1 98 . 1 1 41 41 GLU N N 15 118.7 0.2 . 1 . . . . 39 E N . 16965 1 99 . 1 1 42 42 ARG CA C 13 59.3 0.2 . 1 . . . . 40 R CA . 16965 1 100 . 1 1 42 42 ARG CB C 13 29.7 0.2 . 1 . . . . 40 R CB . 16965 1 101 . 1 1 42 42 ARG N N 15 117.3 0.2 . 1 . . . . 40 R N . 16965 1 102 . 1 1 43 43 CYS CA C 13 65.4 0.2 . 1 . . . . 41 C CA . 16965 1 103 . 1 1 43 43 CYS CB C 13 27.1 0.2 . 1 . . . . 41 C CB . 16965 1 104 . 1 1 43 43 CYS N N 15 115.6 0.2 . 1 . . . . 41 C N . 16965 1 105 . 1 1 44 44 GLN CA C 13 57.7 0.2 . 1 . . . . 42 Q CA . 16965 1 106 . 1 1 44 44 GLN CB C 13 28.0 0.2 . 1 . . . . 42 Q CB . 16965 1 107 . 1 1 44 44 GLN N N 15 119.6 0.2 . 1 . . . . 42 Q N . 16965 1 108 . 1 1 45 45 LEU CA C 13 57.6 0.2 . 1 . . . . 43 L CA . 16965 1 109 . 1 1 45 45 LEU CB C 13 40.9 0.2 . 1 . . . . 43 L CB . 16965 1 110 . 1 1 45 45 LEU N N 15 119.0 0.2 . 1 . . . . 43 L N . 16965 1 111 . 1 1 46 46 ARG CA C 13 60.6 0.2 . 1 . . . . 44 R CA . 16965 1 112 . 1 1 46 46 ARG CB C 13 29.3 0.2 . 1 . . . . 44 R CB . 16965 1 113 . 1 1 46 46 ARG N N 15 118.7 0.2 . 1 . . . . 44 R N . 16965 1 114 . 1 1 47 47 LEU CA C 13 58.6 0.2 . 1 . . . . 45 L CA . 16965 1 115 . 1 1 47 47 LEU CB C 13 41.5 0.2 . 1 . . . . 45 L CB . 16965 1 116 . 1 1 47 47 LEU N N 15 119.9 0.2 . 1 . . . . 45 L N . 16965 1 117 . 1 1 48 48 ASP CA C 13 56.6 0.2 . 1 . . . . 46 D CA . 16965 1 118 . 1 1 48 48 ASP CB C 13 40.0 0.2 . 1 . . . . 46 D CB . 16965 1 119 . 1 1 48 48 ASP N N 15 118.1 0.2 . 1 . . . . 46 D N . 16965 1 120 . 1 1 49 49 ILE CA C 13 65.0 0.2 . 1 . . . . 47 I CA . 16965 1 121 . 1 1 49 49 ILE N N 15 122.6 0.2 . 1 . . . . 47 I N . 16965 1 122 . 1 1 50 50 ALA CA C 13 55.9 0.2 . 1 . . . . 48 A CA . 16965 1 123 . 1 1 50 50 ALA CB C 13 18.3 0.2 . 1 . . . . 48 A CB . 16965 1 124 . 1 1 50 50 ALA N N 15 124.0 0.2 . 1 . . . . 48 A N . 16965 1 125 . 1 1 57 57 TRP CA C 13 63.0 0.2 . 1 . . . . 55 W CA . 16965 1 126 . 1 1 57 57 TRP CB C 13 27.0 0.2 . 1 . . . . 55 W CB . 16965 1 127 . 1 1 58 58 GLY CA C 13 46.5 0.2 . 1 . . . . 56 G CA . 16965 1 128 . 1 1 58 58 GLY N N 15 102.7 0.2 . 1 . . . . 56 G N . 16965 1 129 . 1 1 59 59 GLU CA C 13 58.3 0.2 . 1 . . . . 57 E CA . 16965 1 130 . 1 1 59 59 GLU CB C 13 28.7 0.2 . 1 . . . . 57 E CB . 16965 1 131 . 1 1 59 59 GLU N N 15 121.4 0.2 . 1 . . . . 57 E N . 16965 1 132 . 1 1 60 60 ALA CA C 13 55.0 0.2 . 1 . . . . 58 A CA . 16965 1 133 . 1 1 60 60 ALA CB C 13 20.0 0.2 . 1 . . . . 58 A CB . 16965 1 134 . 1 1 60 60 ALA N N 15 123.6 0.2 . 1 . . . . 58 A N . 16965 1 135 . 1 1 61 61 VAL CA C 13 60.6 0.2 . 1 . . . . 59 V CA . 16965 1 136 . 1 1 61 61 VAL N N 15 108.5 0.2 . 1 . . . . 59 V N . 16965 1 137 . 1 1 62 62 LYS CA C 13 56.1 0.2 . 1 . . . . 60 K CA . 16965 1 138 . 1 1 62 62 LYS CB C 13 28.5 0.2 . 1 . . . . 60 K CB . 16965 1 139 . 1 1 62 62 LYS N N 15 118.2 0.2 . 1 . . . . 60 K N . 16965 1 140 . 1 1 63 63 ILE CA C 13 62.7 0.2 . 1 . . . . 61 I CA . 16965 1 141 . 1 1 63 63 ILE CB C 13 37.9 0.2 . 1 . . . . 61 I CB . 16965 1 142 . 1 1 63 63 ILE N N 15 119.5 0.2 . 1 . . . . 61 I N . 16965 1 143 . 1 1 64 64 ASN CA C 13 55.2 0.2 . 1 . . . . 62 N CA . 16965 1 144 . 1 1 64 64 ASN CB C 13 39.1 0.2 . 1 . . . . 62 N CB . 16965 1 145 . 1 1 64 64 ASN N N 15 114.2 0.2 . 1 . . . . 62 N N . 16965 1 146 . 1 1 65 65 ASP CA C 13 58.4 0.2 . 1 . . . . 63 D CA . 16965 1 147 . 1 1 65 65 ASP CB C 13 40.4 0.2 . 1 . . . . 63 D CB . 16965 1 148 . 1 1 65 65 ASP N N 15 116.9 0.2 . 1 . . . . 63 D N . 16965 1 149 . 1 1 66 66 ASP CA C 13 51.8 0.2 . 1 . . . . 64 D CA . 16965 1 150 . 1 1 66 66 ASP CB C 13 41.4 0.2 . 1 . . . . 64 D CB . 16965 1 151 . 1 1 66 66 ASP N N 15 123.1 0.2 . 1 . . . . 64 D N . 16965 1 152 . 1 1 67 67 PRO CA C 13 64.0 0.2 . 1 . . . . 65 P CA . 16965 1 153 . 1 1 67 67 PRO CB C 13 31.9 0.2 . 1 . . . . 65 P CB . 16965 1 154 . 1 1 68 68 ARG CA C 13 58.7 0.2 . 1 . . . . 66 R CA . 16965 1 155 . 1 1 68 68 ARG CB C 13 29.6 0.2 . 1 . . . . 66 R CB . 16965 1 156 . 1 1 68 68 ARG N N 15 120.5 0.2 . 1 . . . . 66 R N . 16965 1 157 . 1 1 69 69 PHE CA C 13 58.8 0.2 . 1 . . . . 67 F CA . 16965 1 158 . 1 1 69 69 PHE CB C 13 39.2 0.2 . 1 . . . . 67 F CB . 16965 1 159 . 1 1 69 69 PHE N N 15 113.6 0.2 . 1 . . . . 67 F N . 16965 1 160 . 1 1 70 70 HIS CA C 13 55.5 0.2 . 1 . . . . 68 H CA . 16965 1 161 . 1 1 70 70 HIS CB C 13 30.5 0.2 . 1 . . . . 68 H CB . 16965 1 162 . 1 1 70 70 HIS N N 15 119.4 0.2 . 1 . . . . 68 H N . 16965 1 163 . 1 1 71 71 SER CA C 13 56.5 0.2 . 1 . . . . 69 S CA . 16965 1 164 . 1 1 71 71 SER CB C 13 64.8 0.2 . 1 . . . . 69 S CB . 16965 1 165 . 1 1 71 71 SER N N 15 113.2 0.2 . 1 . . . . 69 S N . 16965 1 166 . 1 1 76 76 ASP CA C 13 54.1 0.2 . 1 . . . . 74 D CA . 16965 1 167 . 1 1 76 76 ASP CB C 13 42.5 0.2 . 1 . . . . 74 D CB . 16965 1 168 . 1 1 76 76 ASP N N 15 124.3 0.2 . 1 . . . . 74 D N . 16965 1 169 . 1 1 77 77 LYS CA C 13 60.3 0.2 . 1 . . . . 75 K CA . 16965 1 170 . 1 1 77 77 LYS N N 15 127.9 0.2 . 1 . . . . 75 K N . 16965 1 171 . 1 1 78 78 SER CA C 13 62.4 0.2 . 1 . . . . 76 S CA . 16965 1 172 . 1 1 78 78 SER CB C 13 61.4 0.2 . 1 . . . . 76 S CB . 16965 1 173 . 1 1 78 78 SER N N 15 116.4 0.2 . 1 . . . . 76 S N . 16965 1 174 . 1 1 79 79 VAL CA C 13 66.5 0.2 . 1 . . . . 77 V CA . 16965 1 175 . 1 1 79 79 VAL CB C 13 30.9 0.2 . 1 . . . . 77 V CB . 16965 1 176 . 1 1 79 79 VAL N N 15 123.4 0.2 . 1 . . . . 77 V N . 16965 1 177 . 1 1 80 80 GLN CA C 13 59.9 0.2 . 1 . . . . 78 Q CA . 16965 1 178 . 1 1 80 80 GLN CB C 13 28.1 0.2 . 1 . . . . 78 Q CB . 16965 1 179 . 1 1 80 80 GLN N N 15 120.2 0.2 . 1 . . . . 78 Q N . 16965 1 180 . 1 1 81 81 LEU CA C 13 58.7 0.2 . 1 . . . . 79 L CA . 16965 1 181 . 1 1 81 81 LEU CB C 13 40.7 0.2 . 1 . . . . 79 L CB . 16965 1 182 . 1 1 81 81 LEU N N 15 120.6 0.2 . 1 . . . . 79 L N . 16965 1 183 . 1 1 82 82 ALA CA C 13 55.2 0.2 . 1 . . . . 80 A CA . 16965 1 184 . 1 1 82 82 ALA CB C 13 17.8 0.2 . 1 . . . . 80 A CB . 16965 1 185 . 1 1 82 82 ALA N N 15 120.6 0.2 . 1 . . . . 80 A N . 16965 1 186 . 1 1 83 83 LYS CA C 13 60.1 0.2 . 1 . . . . 81 K CA . 16965 1 187 . 1 1 83 83 LYS CB C 13 32.7 0.2 . 1 . . . . 81 K CB . 16965 1 188 . 1 1 83 83 LYS N N 15 117.2 0.2 . 1 . . . . 81 K N . 16965 1 189 . 1 1 92 92 LEU CA C 13 58.1 0.2 . 1 . . . . 90 L CA . 16965 1 190 . 1 1 92 92 LEU CB C 13 41.1 0.2 . 1 . . . . 90 L CB . 16965 1 191 . 1 1 92 92 LEU N N 15 124.1 0.2 . 1 . . . . 90 L N . 16965 1 192 . 1 1 93 93 PHE CA C 13 62.7 0.2 . 1 . . . . 91 F CA . 16965 1 193 . 1 1 93 93 PHE CB C 13 38.7 0.2 . 1 . . . . 91 F CB . 16965 1 194 . 1 1 93 93 PHE N N 15 118.6 0.2 . 1 . . . . 91 F N . 16965 1 195 . 1 1 94 94 GLU CA C 13 59.7 0.2 . 1 . . . . 92 E CA . 16965 1 196 . 1 1 94 94 GLU CB C 13 29.1 0.2 . 1 . . . . 92 E CB . 16965 1 197 . 1 1 94 94 GLU N N 15 120.7 0.2 . 1 . . . . 92 E N . 16965 1 198 . 1 1 95 95 SER CA C 13 62.3 0.2 . 1 . . . . 93 S CA . 16965 1 199 . 1 1 95 95 SER N N 15 114.8 0.2 . 1 . . . . 93 S N . 16965 1 200 . 1 1 96 96 ALA CA C 13 54.9 0.2 . 1 . . . . 94 A CA . 16965 1 201 . 1 1 96 96 ALA CB C 13 18.7 0.2 . 1 . . . . 94 A CB . 16965 1 202 . 1 1 96 96 ALA N N 15 124.4 0.2 . 1 . . . . 94 A N . 16965 1 203 . 1 1 97 97 GLN CA C 13 59.1 0.2 . 1 . . . . 95 Q CA . 16965 1 204 . 1 1 98 98 LYS CA C 13 59.3 0.2 . 1 . . . . 96 K CA . 16965 1 205 . 1 1 98 98 LYS CB C 13 30.9 0.2 . 1 . . . . 96 K CB . 16965 1 206 . 1 1 98 98 LYS N N 15 120.1 0.2 . 1 . . . . 96 K N . 16965 1 207 . 1 1 99 99 THR CA C 13 67.1 0.2 . 1 . . . . 97 T CA . 16965 1 208 . 1 1 99 99 THR CB C 13 69.3 0.2 . 1 . . . . 97 T CB . 16965 1 209 . 1 1 99 99 THR N N 15 117.4 0.2 . 1 . . . . 97 T N . 16965 1 210 . 1 1 100 100 SER CA C 13 62.9 0.2 . 1 . . . . 98 S CA . 16965 1 211 . 1 1 100 100 SER N N 15 119.5 0.2 . 1 . . . . 98 S N . 16965 1 212 . 1 1 101 101 LYS CA C 13 58.2 0.2 . 1 . . . . 99 K CA . 16965 1 213 . 1 1 101 101 LYS CB C 13 30.9 0.2 . 1 . . . . 99 K CB . 16965 1 214 . 1 1 101 101 LYS N N 15 121.2 0.2 . 1 . . . . 99 K N . 16965 1 215 . 1 1 102 102 ARG CA C 13 60.2 0.2 . 1 . . . . 100 R CA . 16965 1 216 . 1 1 102 102 ARG CB C 13 30.7 0.2 . 1 . . . . 100 R CB . 16965 1 217 . 1 1 102 102 ARG N N 15 117.5 0.2 . 1 . . . . 100 R N . 16965 1 218 . 1 1 103 103 TYR CA C 13 61.2 0.2 . 1 . . . . 101 Y CA . 16965 1 219 . 1 1 103 103 TYR CB C 13 37.8 0.2 . 1 . . . . 101 Y CB . 16965 1 220 . 1 1 103 103 TYR N N 15 121.1 0.2 . 1 . . . . 101 Y N . 16965 1 221 . 1 1 104 104 GLU CA C 13 58.8 0.2 . 1 . . . . 102 E CA . 16965 1 222 . 1 1 104 104 GLU CB C 13 29.3 0.2 . 1 . . . . 102 E CB . 16965 1 223 . 1 1 104 104 GLU N N 15 117.3 0.2 . 1 . . . . 102 E N . 16965 1 224 . 1 1 105 105 LEU CA C 13 57.2 0.2 . 1 . . . . 103 L CA . 16965 1 225 . 1 1 105 105 LEU N N 15 116.5 0.2 . 1 . . . . 103 L N . 16965 1 226 . 1 1 106 106 VAL CA C 13 60.5 0.2 . 1 . . . . 104 V CA . 16965 1 227 . 1 1 106 106 VAL N N 15 108.8 0.2 . 1 . . . . 104 V N . 16965 1 228 . 1 1 107 107 ALA CA C 13 52.0 0.2 . 1 . . . . 105 A CA . 16965 1 229 . 1 1 107 107 ALA CB C 13 20.1 0.2 . 1 . . . . 105 A CB . 16965 1 230 . 1 1 107 107 ALA N N 15 125.2 0.2 . 1 . . . . 105 A N . 16965 1 231 . 1 1 108 108 ASP CA C 13 54.3 0.2 . 1 . . . . 106 D CA . 16965 1 232 . 1 1 108 108 ASP CB C 13 42.0 0.2 . 1 . . . . 106 D CB . 16965 1 233 . 1 1 108 108 ASP N N 15 121.1 0.2 . 1 . . . . 106 D N . 16965 1 234 . 1 1 109 109 GLN CA C 13 58.8 0.2 . 1 . . . . 107 Q CA . 16965 1 235 . 1 1 109 109 GLN CB C 13 28.2 0.2 . 1 . . . . 107 Q CB . 16965 1 236 . 1 1 109 109 GLN N N 15 123.9 0.2 . 1 . . . . 107 Q N . 16965 1 237 . 1 1 110 110 GLN CA C 13 57.9 0.2 . 1 . . . . 108 Q CA . 16965 1 238 . 1 1 110 110 GLN CB C 13 28.1 0.2 . 1 . . . . 108 Q CB . 16965 1 239 . 1 1 110 110 GLN N N 15 117.9 0.2 . 1 . . . . 108 Q N . 16965 1 240 . 1 1 111 111 ASP CA C 13 55.8 0.2 . 1 . . . . 109 D CA . 16965 1 241 . 1 1 111 111 ASP CB C 13 41.1 0.2 . 1 . . . . 109 D CB . 16965 1 242 . 1 1 111 111 ASP N N 15 118.1 0.2 . 1 . . . . 109 D N . 16965 1 243 . 1 1 112 112 LEU CA C 13 54.7 0.2 . 1 . . . . 110 L CA . 16965 1 244 . 1 1 112 112 LEU CB C 13 40.3 0.2 . 1 . . . . 110 L CB . 16965 1 245 . 1 1 112 112 LEU N N 15 116.0 0.2 . 1 . . . . 110 L N . 16965 1 246 . 1 1 113 113 VAL CA C 13 62.3 0.2 . 1 . . . . 111 V CA . 16965 1 247 . 1 1 113 113 VAL CB C 13 32.5 0.2 . 1 . . . . 111 V CB . 16965 1 248 . 1 1 113 113 VAL N N 15 119.7 0.2 . 1 . . . . 111 V N . 16965 1 249 . 1 1 114 114 VAL CA C 13 59.5 0.2 . 1 . . . . 112 V CA . 16965 1 250 . 1 1 114 114 VAL CB C 13 33.3 0.2 . 1 . . . . 112 V CB . 16965 1 251 . 1 1 114 114 VAL N N 15 119.2 0.2 . 1 . . . . 112 V N . 16965 1 252 . 1 1 115 115 PHE CA C 13 58.9 0.2 . 1 . . . . 113 F CA . 16965 1 253 . 1 1 115 115 PHE CB C 13 39.2 0.2 . 1 . . . . 113 F CB . 16965 1 254 . 1 1 115 115 PHE N N 15 120.3 0.2 . 1 . . . . 113 F N . 16965 1 255 . 1 1 116 116 GLU CA C 13 54.4 0.2 . 1 . . . . 114 E CA . 16965 1 256 . 1 1 116 116 GLU CB C 13 34.0 0.2 . 1 . . . . 114 E CB . 16965 1 257 . 1 1 116 116 GLU N N 15 119.3 0.2 . 1 . . . . 114 E N . 16965 1 258 . 1 1 117 117 ASP CA C 13 57.7 0.2 . 1 . . . . 115 D CA . 16965 1 259 . 1 1 117 117 ASP CB C 13 39.5 0.2 . 1 . . . . 115 D CB . 16965 1 260 . 1 1 117 117 ASP N N 15 119.9 0.2 . 1 . . . . 115 D N . 16965 1 261 . 1 1 118 118 LYS CA C 13 57.9 0.2 . 1 . . . . 116 K CA . 16965 1 262 . 1 1 118 118 LYS CB C 13 30.8 0.2 . 1 . . . . 116 K CB . 16965 1 263 . 1 1 118 118 LYS N N 15 119.0 0.2 . 1 . . . . 116 K N . 16965 1 264 . 1 1 119 119 ASP CA C 13 55.9 0.2 . 1 . . . . 117 D CA . 16965 1 265 . 1 1 119 119 ASP CB C 13 41.6 0.2 . 1 . . . . 117 D CB . 16965 1 266 . 1 1 119 119 ASP N N 15 119.5 0.2 . 1 . . . . 117 D N . 16965 1 267 . 1 1 120 120 MET CA C 13 56.4 0.2 . 1 . . . . 118 M CA . 16965 1 268 . 1 1 120 120 MET CB C 13 34.4 0.2 . 1 . . . . 118 M CB . 16965 1 269 . 1 1 120 120 MET N N 15 118.5 0.2 . 1 . . . . 118 M N . 16965 1 270 . 1 1 121 121 LYS CA C 13 55.9 0.2 . 1 . . . . 119 K CA . 16965 1 271 . 1 1 121 121 LYS CB C 13 29.8 0.2 . 1 . . . . 119 K CB . 16965 1 272 . 1 1 121 121 LYS N N 15 123.5 0.2 . 1 . . . . 119 K N . 16965 1 273 . 1 1 122 122 PRO CA C 13 67.0 0.2 . 1 . . . . 120 P CA . 16965 1 274 . 1 1 122 122 PRO CB C 13 32.0 0.2 . 1 . . . . 120 P CB . 16965 1 275 . 1 1 123 123 ILE CA C 13 64.4 0.2 . 1 . . . . 121 I CA . 16965 1 276 . 1 1 123 123 ILE CB C 13 36.5 0.2 . 1 . . . . 121 I CB . 16965 1 277 . 1 1 123 123 ILE N N 15 117.6 0.2 . 1 . . . . 121 I N . 16965 1 278 . 1 1 124 124 GLY CA C 13 47.0 0.2 . 1 . . . . 122 G CA . 16965 1 279 . 1 1 124 124 GLY N N 15 111.2 0.2 . 1 . . . . 122 G N . 16965 1 280 . 1 1 125 125 ARG CA C 13 59.6 0.2 . 1 . . . . 123 R CA . 16965 1 281 . 1 1 125 125 ARG CB C 13 29.8 0.2 . 1 . . . . 123 R CB . 16965 1 282 . 1 1 125 125 ARG N N 15 123.0 0.2 . 1 . . . . 123 R N . 16965 1 283 . 1 1 126 126 ALA CA C 13 54.8 0.2 . 1 . . . . 124 A CA . 16965 1 284 . 1 1 126 126 ALA CB C 13 17.7 0.2 . 1 . . . . 124 A CB . 16965 1 285 . 1 1 126 126 ALA N N 15 119.7 0.2 . 1 . . . . 124 A N . 16965 1 286 . 1 1 127 127 LEU CA C 13 57.8 0.2 . 1 . . . . 125 L CA . 16965 1 287 . 1 1 127 127 LEU CB C 13 42.4 0.2 . 1 . . . . 125 L CB . 16965 1 288 . 1 1 127 127 LEU N N 15 120.6 0.2 . 1 . . . . 125 L N . 16965 1 289 . 1 1 128 128 HIS CA C 13 58.3 0.2 . 1 . . . . 126 H CA . 16965 1 290 . 1 1 128 128 HIS CB C 13 29.6 0.2 . 1 . . . . 126 H CB . 16965 1 291 . 1 1 128 128 HIS N N 15 119.9 0.2 . 1 . . . . 126 H N . 16965 1 292 . 1 1 129 129 ARG CA C 13 59.2 0.2 . 1 . . . . 127 R CA . 16965 1 293 . 1 1 129 129 ARG CB C 13 29.3 0.2 . 1 . . . . 127 R CB . 16965 1 294 . 1 1 129 129 ARG N N 15 117.8 0.2 . 1 . . . . 127 R N . 16965 1 295 . 1 1 130 130 ARG CA C 13 59.3 0.2 . 1 . . . . 128 R CA . 16965 1 296 . 1 1 130 130 ARG CB C 13 29.5 0.2 . 1 . . . . 128 R CB . 16965 1 297 . 1 1 130 130 ARG N N 15 120.6 0.2 . 1 . . . . 128 R N . 16965 1 298 . 1 1 131 131 LEU CA C 13 57.8 0.2 . 1 . . . . 129 L CA . 16965 1 299 . 1 1 131 131 LEU CB C 13 40.9 0.2 . 1 . . . . 129 L CB . 16965 1 300 . 1 1 131 131 LEU N N 15 119.8 0.2 . 1 . . . . 129 L N . 16965 1 301 . 1 1 132 132 ASN CA C 13 56.2 0.2 . 1 . . . . 130 N CA . 16965 1 302 . 1 1 132 132 ASN CB C 13 37.6 0.2 . 1 . . . . 130 N CB . 16965 1 303 . 1 1 132 132 ASN N N 15 117.5 0.2 . 1 . . . . 130 N N . 16965 1 304 . 1 1 133 133 ASP CA C 13 57.5 0.2 . 1 . . . . 131 D CA . 16965 1 305 . 1 1 133 133 ASP CB C 13 40.5 0.2 . 1 . . . . 131 D CB . 16965 1 306 . 1 1 133 133 ASP N N 15 123.0 0.2 . 1 . . . . 131 D N . 16965 1 307 . 1 1 134 134 LEU CA C 13 58.1 0.2 . 1 . . . . 132 L CA . 16965 1 308 . 1 1 134 134 LEU CB C 13 40.7 0.2 . 1 . . . . 132 L CB . 16965 1 309 . 1 1 134 134 LEU N N 15 120.8 0.2 . 1 . . . . 132 L N . 16965 1 310 . 1 1 135 135 VAL CA C 13 66.5 0.2 . 1 . . . . 133 V CA . 16965 1 311 . 1 1 135 135 VAL CB C 13 31.9 0.2 . 1 . . . . 133 V CB . 16965 1 312 . 1 1 135 135 VAL N N 15 118.8 0.2 . 1 . . . . 133 V N . 16965 1 313 . 1 1 136 136 SER CA C 13 61.9 0.2 . 1 . . . . 134 S CA . 16965 1 314 . 1 1 136 136 SER N N 15 116.8 0.2 . 1 . . . . 134 S N . 16965 1 315 . 1 1 137 137 ARG CA C 13 58.6 0.2 . 1 . . . . 135 R CA . 16965 1 316 . 1 1 137 137 ARG CB C 13 29.8 0.2 . 1 . . . . 135 R CB . 16965 1 317 . 1 1 137 137 ARG N N 15 118.9 0.2 . 1 . . . . 135 R N . 16965 1 318 . 1 1 138 138 ARG CA C 13 57.6 0.2 . 1 . . . . 136 R CA . 16965 1 319 . 1 1 138 138 ARG CB C 13 31.5 0.2 . 1 . . . . 136 R CB . 16965 1 320 . 1 1 138 138 ARG N N 15 117.6 0.2 . 1 . . . . 136 R N . 16965 1 321 . 1 1 139 139 GLN CA C 13 55.6 0.2 . 1 . . . . 137 Q CA . 16965 1 322 . 1 1 139 139 GLN CB C 13 31.0 0.2 . 1 . . . . 137 Q CB . 16965 1 323 . 1 1 139 139 GLN N N 15 119.3 0.2 . 1 . . . . 137 Q N . 16965 1 324 . 1 1 140 140 LYS CA C 13 55.3 0.2 . 1 . . . . 138 K CA . 16965 1 325 . 1 1 140 140 LYS CB C 13 32.3 0.2 . 1 . . . . 138 K CB . 16965 1 326 . 1 1 140 140 LYS N N 15 122.6 0.2 . 1 . . . . 138 K N . 16965 1 327 . 1 1 141 141 GLN CA C 13 56.4 0.2 . 1 . . . . 139 Q CA . 16965 1 328 . 1 1 141 141 GLN CB C 13 28.3 0.2 . 1 . . . . 139 Q CB . 16965 1 329 . 1 1 141 141 GLN N N 15 121.1 0.2 . 1 . . . . 139 Q N . 16965 1 330 . 1 1 142 142 THR CA C 13 62.3 0.2 . 1 . . . . 140 T CA . 16965 1 331 . 1 1 142 142 THR CB C 13 70.0 0.2 . 1 . . . . 140 T CB . 16965 1 332 . 1 1 142 142 THR N N 15 113.5 0.2 . 1 . . . . 140 T N . 16965 1 333 . 1 1 143 143 SER CA C 13 58.0 0.2 . 1 . . . . 141 S CA . 16965 1 334 . 1 1 143 143 SER CB C 13 62.6 0.2 . 1 . . . . 141 S CB . 16965 1 335 . 1 1 143 143 SER N N 15 116.3 0.2 . 1 . . . . 141 S N . 16965 1 336 . 1 1 144 144 LEU CA C 13 54.3 0.2 . 1 . . . . 142 L CA . 16965 1 337 . 1 1 144 144 LEU CB C 13 42.2 0.2 . 1 . . . . 142 L CB . 16965 1 338 . 1 1 144 144 LEU N N 15 123.9 0.2 . 1 . . . . 142 L N . 16965 1 339 . 1 1 145 145 ALA CA C 13 51.3 0.2 . 1 . . . . 143 A CA . 16965 1 340 . 1 1 145 145 ALA CB C 13 19.0 0.2 . 1 . . . . 143 A CB . 16965 1 341 . 1 1 145 145 ALA N N 15 126.2 0.2 . 1 . . . . 143 A N . 16965 1 342 . 1 1 146 146 LYS CA C 13 57.3 0.2 . 1 . . . . 144 K CA . 16965 1 343 . 1 1 146 146 LYS CB C 13 31.7 0.2 . 1 . . . . 144 K CB . 16965 1 344 . 1 1 146 146 LYS N N 15 125.4 0.2 . 1 . . . . 144 K N . 16965 1 345 . 1 1 147 147 LYS CA C 13 55.0 0.2 . 1 . . . . 145 K CA . 16965 1 346 . 1 1 147 147 LYS CB C 13 33.5 0.2 . 1 . . . . 145 K CB . 16965 1 347 . 1 1 147 147 LYS N N 15 124.9 0.2 . 1 . . . . 145 K N . 16965 1 348 . 1 1 148 148 THR CA C 13 60.6 0.2 . 1 . . . . 146 T CA . 16965 1 349 . 1 1 148 148 THR CB C 13 70.9 0.2 . 1 . . . . 146 T CB . 16965 1 350 . 1 1 148 148 THR N N 15 112.7 0.2 . 1 . . . . 146 T N . 16965 1 351 . 1 1 149 149 ALA CA C 13 52.6 0.2 . 1 . . . . 147 A CA . 16965 1 352 . 1 1 149 149 ALA CB C 13 19.1 0.2 . 1 . . . . 147 A CB . 16965 1 353 . 1 1 149 149 ALA N N 15 127.6 0.2 . 1 . . . . 147 A N . 16965 1 354 . 1 1 150 150 TRP CA C 13 55.5 0.2 . 1 . . . . 148 W CA . 16965 1 355 . 1 1 150 150 TRP CB C 13 30.3 0.2 . 1 . . . . 148 W CB . 16965 1 356 . 1 1 150 150 TRP N N 15 121.7 0.2 . 1 . . . . 148 W N . 16965 1 357 . 1 1 151 151 ALA CA C 13 49.9 0.2 . 1 . . . . 149 A CA . 16965 1 358 . 1 1 151 151 ALA CB C 13 21.3 0.2 . 1 . . . . 149 A CB . 16965 1 359 . 1 1 151 151 ALA N N 15 120.4 0.2 . 1 . . . . 149 A N . 16965 1 360 . 1 1 152 152 LEU CA C 13 53.6 0.2 . 1 . . . . 150 L CA . 16965 1 361 . 1 1 152 152 LEU CB C 13 45.3 0.2 . 1 . . . . 150 L CB . 16965 1 362 . 1 1 152 152 LEU N N 15 119.5 0.2 . 1 . . . . 150 L N . 16965 1 363 . 1 1 153 153 TYR CA C 13 58.7 0.2 . 1 . . . . 151 Y CA . 16965 1 364 . 1 1 153 153 TYR CB C 13 40.1 0.2 . 1 . . . . 151 Y CB . 16965 1 365 . 1 1 153 153 TYR N N 15 117.0 0.2 . 1 . . . . 151 Y N . 16965 1 366 . 1 1 154 154 ASP CA C 13 52.5 0.2 . 1 . . . . 152 D CA . 16965 1 367 . 1 1 154 154 ASP CB C 13 44.4 0.2 . 1 . . . . 152 D CB . 16965 1 368 . 1 1 154 154 ASP N N 15 115.3 0.2 . 1 . . . . 152 D N . 16965 1 369 . 1 1 155 155 GLY CA C 13 47.3 0.2 . 1 . . . . 153 G CA . 16965 1 370 . 1 1 155 155 GLY N N 15 111.7 0.2 . 1 . . . . 153 G N . 16965 1 371 . 1 1 156 156 LYS CA C 13 59.4 0.2 . 1 . . . . 154 K CA . 16965 1 372 . 1 1 156 156 LYS CB C 13 30.9 0.2 . 1 . . . . 154 K CB . 16965 1 373 . 1 1 156 156 LYS N N 15 123.0 0.2 . 1 . . . . 154 K N . 16965 1 374 . 1 1 157 157 SER CA C 13 62.2 0.2 . 1 . . . . 155 S CA . 16965 1 375 . 1 1 157 157 SER CB C 13 65.1 0.2 . 1 . . . . 155 S CB . 16965 1 376 . 1 1 157 157 SER N N 15 117.9 0.2 . 1 . . . . 155 S N . 16965 1 377 . 1 1 158 158 LEU CA C 13 58.5 0.2 . 1 . . . . 156 L CA . 16965 1 378 . 1 1 158 158 LEU CB C 13 40.9 0.2 . 1 . . . . 156 L CB . 16965 1 379 . 1 1 158 158 LEU N N 15 122.2 0.2 . 1 . . . . 156 L N . 16965 1 380 . 1 1 159 159 GLU CA C 13 58.6 0.2 . 1 . . . . 157 E CA . 16965 1 381 . 1 1 159 159 GLU CB C 13 28.7 0.2 . 1 . . . . 157 E CB . 16965 1 382 . 1 1 159 159 GLU N N 15 119.3 0.2 . 1 . . . . 157 E N . 16965 1 383 . 1 1 160 160 LYS CA C 13 59.4 0.2 . 1 . . . . 158 K CA . 16965 1 384 . 1 1 160 160 LYS CB C 13 31.9 0.2 . 1 . . . . 158 K CB . 16965 1 385 . 1 1 160 160 LYS N N 15 118.3 0.2 . 1 . . . . 158 K N . 16965 1 386 . 1 1 161 161 ILE CA C 13 65.4 0.2 . 1 . . . . 159 I CA . 16965 1 387 . 1 1 161 161 ILE CB C 13 37.9 0.2 . 1 . . . . 159 I CB . 16965 1 388 . 1 1 161 161 ILE N N 15 117.6 0.2 . 1 . . . . 159 I N . 16965 1 389 . 1 1 162 162 VAL CA C 13 66.9 0.2 . 1 . . . . 160 V CA . 16965 1 390 . 1 1 162 162 VAL CB C 13 31.3 0.2 . 1 . . . . 160 V CB . 16965 1 391 . 1 1 162 162 VAL N N 15 115.6 0.2 . 1 . . . . 160 V N . 16965 1 392 . 1 1 163 163 ASP CA C 13 57.6 0.2 . 1 . . . . 161 D CA . 16965 1 393 . 1 1 163 163 ASP CB C 13 41.7 0.2 . 1 . . . . 161 D CB . 16965 1 394 . 1 1 163 163 ASP N N 15 119.5 0.2 . 1 . . . . 161 D N . 16965 1 395 . 1 1 164 164 GLN CA C 13 58.6 0.2 . 1 . . . . 162 Q CA . 16965 1 396 . 1 1 164 164 GLN CB C 13 28.5 0.2 . 1 . . . . 162 Q CB . 16965 1 397 . 1 1 164 164 GLN N N 15 116.6 0.2 . 1 . . . . 162 Q N . 16965 1 398 . 1 1 165 165 VAL CA C 13 68.5 0.2 . 1 . . . . 163 V CA . 16965 1 399 . 1 1 165 165 VAL CB C 13 30.6 0.2 . 1 . . . . 163 V CB . 16965 1 400 . 1 1 165 165 VAL N N 15 119.5 0.2 . 1 . . . . 163 V N . 16965 1 401 . 1 1 166 166 ALA CA C 13 56.0 0.2 . 1 . . . . 164 A CA . 16965 1 402 . 1 1 166 166 ALA CB C 13 18.3 0.2 . 1 . . . . 164 A CB . 16965 1 403 . 1 1 166 166 ALA N N 15 122.0 0.2 . 1 . . . . 164 A N . 16965 1 404 . 1 1 167 167 ARG CA C 13 58.9 0.2 . 1 . . . . 165 R CA . 16965 1 405 . 1 1 167 167 ARG CB C 13 30.1 0.2 . 1 . . . . 165 R CB . 16965 1 406 . 1 1 167 167 ARG N N 15 117.4 0.2 . 1 . . . . 165 R N . 16965 1 407 . 1 1 168 168 PHE CA C 13 59.2 0.2 . 1 . . . . 166 F CA . 16965 1 408 . 1 1 168 168 PHE CB C 13 37.7 0.2 . 1 . . . . 166 F CB . 16965 1 409 . 1 1 168 168 PHE N N 15 120.8 0.2 . 1 . . . . 166 F N . 16965 1 410 . 1 1 169 169 VAL CA C 13 66.6 0.2 . 1 . . . . 167 V CA . 16965 1 411 . 1 1 169 169 VAL CB C 13 30.4 0.2 . 1 . . . . 167 V CB . 16965 1 412 . 1 1 169 169 VAL N N 15 121.3 0.2 . 1 . . . . 167 V N . 16965 1 413 . 1 1 170 170 ASP CA C 13 58.0 0.2 . 1 . . . . 168 D CA . 16965 1 414 . 1 1 170 170 ASP CB C 13 39.8 0.2 . 1 . . . . 168 D CB . 16965 1 415 . 1 1 170 170 ASP N N 15 121.7 0.2 . 1 . . . . 168 D N . 16965 1 416 . 1 1 171 171 GLU CA C 13 59.6 0.2 . 1 . . . . 169 E CA . 16965 1 417 . 1 1 171 171 GLU CB C 13 29.7 0.2 . 1 . . . . 169 E CB . 16965 1 418 . 1 1 171 171 GLU N N 15 118.5 0.2 . 1 . . . . 169 E N . 16965 1 419 . 1 1 172 172 LEU CA C 13 58.0 0.2 . 1 . . . . 170 L CA . 16965 1 420 . 1 1 172 172 LEU CB C 13 38.7 0.2 . 1 . . . . 170 L CB . 16965 1 421 . 1 1 172 172 LEU N N 15 122.3 0.2 . 1 . . . . 170 L N . 16965 1 422 . 1 1 173 173 GLU CA C 13 59.1 0.2 . 1 . . . . 171 E CA . 16965 1 423 . 1 1 173 173 GLU CB C 13 29.7 0.2 . 1 . . . . 171 E CB . 16965 1 424 . 1 1 173 173 GLU N N 15 118.0 0.2 . 1 . . . . 171 E N . 16965 1 425 . 1 1 174 174 LYS CA C 13 57.5 0.2 . 1 . . . . 172 K CA . 16965 1 426 . 1 1 174 174 LYS CB C 13 32.7 0.2 . 1 . . . . 172 K CB . 16965 1 427 . 1 1 174 174 LYS N N 15 115.1 0.2 . 1 . . . . 172 K N . 16965 1 428 . 1 1 175 175 ALA CA C 13 53.2 0.2 . 1 . . . . 173 A CA . 16965 1 429 . 1 1 175 175 ALA CB C 13 19.1 0.2 . 1 . . . . 173 A CB . 16965 1 430 . 1 1 175 175 ALA N N 15 120.0 0.2 . 1 . . . . 173 A N . 16965 1 431 . 1 1 176 176 PHE CA C 13 55.1 0.2 . 1 . . . . 174 F CA . 16965 1 432 . 1 1 176 176 PHE CB C 13 41.9 0.2 . 1 . . . . 174 F CB . 16965 1 433 . 1 1 176 176 PHE N N 15 116.2 0.2 . 1 . . . . 174 F N . 16965 1 434 . 1 1 177 177 PRO CA C 13 63.2 0.2 . 1 . . . . 175 P CA . 16965 1 435 . 1 1 178 178 ILE CA C 13 60.4 0.2 . 1 . . . . 176 I CA . 16965 1 436 . 1 1 178 178 ILE CB C 13 39.5 0.2 . 1 . . . . 176 I CB . 16965 1 437 . 1 1 178 178 ILE N N 15 115.7 0.2 . 1 . . . . 176 I N . 16965 1 438 . 1 1 179 179 GLU CA C 13 61.2 0.2 . 1 . . . . 177 E CA . 16965 1 439 . 1 1 179 179 GLU CB C 13 29.2 0.2 . 1 . . . . 177 E CB . 16965 1 440 . 1 1 179 179 GLU N N 15 126.1 0.2 . 1 . . . . 177 E N . 16965 1 441 . 1 1 190 190 ILE CA C 13 59.7 0.2 . 1 . . . . 188 I CA . 16965 1 442 . 1 1 190 190 ILE CB C 13 36.5 0.2 . 1 . . . . 188 I CB . 16965 1 443 . 1 1 190 190 ILE N N 15 106.5 0.2 . 1 . . . . 188 I N . 16965 1 444 . 1 1 191 191 GLU CA C 13 59.6 0.2 . 1 . . . . 189 E CA . 16965 1 445 . 1 1 191 191 GLU CB C 13 29.3 0.2 . 1 . . . . 189 E CB . 16965 1 446 . 1 1 191 191 GLU N N 15 124.7 0.2 . 1 . . . . 189 E N . 16965 1 447 . 1 1 192 192 GLU CA C 13 56.5 0.2 . 1 . . . . 190 E CA . 16965 1 448 . 1 1 192 192 GLU CB C 13 29.4 0.2 . 1 . . . . 190 E CB . 16965 1 449 . 1 1 192 192 GLU N N 15 113.5 0.2 . 1 . . . . 190 E N . 16965 1 450 . 1 1 193 193 VAL CA C 13 62.7 0.2 . 1 . . . . 191 V CA . 16965 1 451 . 1 1 193 193 VAL CB C 13 30.2 0.2 . 1 . . . . 191 V CB . 16965 1 452 . 1 1 193 193 VAL N N 15 122.4 0.2 . 1 . . . . 191 V N . 16965 1 453 . 1 1 194 194 GLU CA C 13 56.2 0.2 . 1 . . . . 192 E CA . 16965 1 454 . 1 1 194 194 GLU CB C 13 32.0 0.2 . 1 . . . . 192 E CB . 16965 1 455 . 1 1 194 194 GLU N N 15 124.2 0.2 . 1 . . . . 192 E N . 16965 1 456 . 1 1 195 195 ASP CA C 13 52.2 0.2 . 1 . . . . 193 D CA . 16965 1 457 . 1 1 195 195 ASP CB C 13 42.2 0.2 . 1 . . . . 193 D CB . 16965 1 458 . 1 1 195 195 ASP N N 15 115.8 0.2 . 1 . . . . 193 D N . 16965 1 459 . 1 1 196 196 GLU CA C 13 60.1 0.2 . 1 . . . . 194 E CA . 16965 1 460 . 1 1 196 196 GLU CB C 13 29.5 0.2 . 1 . . . . 194 E CB . 16965 1 461 . 1 1 196 196 GLU N N 15 123.6 0.2 . 1 . . . . 194 E N . 16965 1 462 . 1 1 197 197 ALA CA C 13 56.0 0.2 . 1 . . . . 195 A CA . 16965 1 463 . 1 1 197 197 ALA CB C 13 17.7 0.2 . 1 . . . . 195 A CB . 16965 1 464 . 1 1 197 197 ALA N N 15 123.3 0.2 . 1 . . . . 195 A N . 16965 1 465 . 1 1 198 198 SER CA C 13 62.6 0.2 . 1 . . . . 196 S CA . 16965 1 466 . 1 1 198 198 SER CB C 13 63.7 0.2 . 1 . . . . 196 S CB . 16965 1 467 . 1 1 198 198 SER N N 15 116.5 0.2 . 1 . . . . 196 S N . 16965 1 468 . 1 1 199 199 LEU CA C 13 58.0 0.2 . 1 . . . . 197 L CA . 16965 1 469 . 1 1 199 199 LEU CB C 13 42.2 0.2 . 1 . . . . 197 L CB . 16965 1 470 . 1 1 199 199 LEU N N 15 121.1 0.2 . 1 . . . . 197 L N . 16965 1 471 . 1 1 200 200 THR CA C 13 67.1 0.2 . 1 . . . . 198 T CA . 16965 1 472 . 1 1 200 200 THR CB C 13 68.3 0.2 . 1 . . . . 198 T CB . 16965 1 473 . 1 1 200 200 THR N N 15 116.9 0.2 . 1 . . . . 198 T N . 16965 1 474 . 1 1 201 201 ILE CA C 13 64.7 0.2 . 1 . . . . 199 I CA . 16965 1 475 . 1 1 201 201 ILE CB C 13 37.1 0.2 . 1 . . . . 199 I CB . 16965 1 476 . 1 1 201 201 ILE N N 15 122.4 0.2 . 1 . . . . 199 I N . 16965 1 477 . 1 1 202 202 LEU CA C 13 58.1 0.2 . 1 . . . . 200 L CA . 16965 1 478 . 1 1 202 202 LEU CB C 13 41.6 0.2 . 1 . . . . 200 L CB . 16965 1 479 . 1 1 202 202 LEU N N 15 120.3 0.2 . 1 . . . . 200 L N . 16965 1 480 . 1 1 203 203 LYS CA C 13 60.2 0.2 . 1 . . . . 201 K CA . 16965 1 481 . 1 1 203 203 LYS CB C 13 32.2 0.2 . 1 . . . . 201 K CB . 16965 1 482 . 1 1 203 203 LYS N N 15 118.0 0.2 . 1 . . . . 201 K N . 16965 1 483 . 1 1 204 204 ASP CA C 13 56.8 0.2 . 1 . . . . 202 D CA . 16965 1 484 . 1 1 204 204 ASP CB C 13 41.4 0.2 . 1 . . . . 202 D CB . 16965 1 485 . 1 1 204 204 ASP N N 15 117.7 0.2 . 1 . . . . 202 D N . 16965 1 486 . 1 1 205 205 ALA CA C 13 54.8 0.2 . 1 . . . . 203 A CA . 16965 1 487 . 1 1 205 205 ALA CB C 13 17.8 0.2 . 1 . . . . 203 A CB . 16965 1 488 . 1 1 205 205 ALA N N 15 122.8 0.2 . 1 . . . . 203 A N . 16965 1 489 . 1 1 206 206 ALA CA C 13 52.7 0.2 . 1 . . . . 204 A CA . 16965 1 490 . 1 1 206 206 ALA CB C 13 18.4 0.2 . 1 . . . . 204 A CB . 16965 1 491 . 1 1 206 206 ALA N N 15 116.0 0.2 . 1 . . . . 204 A N . 16965 1 492 . 1 1 207 207 GLY CA C 13 47.8 0.2 . 1 . . . . 205 G CA . 16965 1 493 . 1 1 207 207 GLY N N 15 108.1 0.2 . 1 . . . . 205 G N . 16965 1 494 . 1 1 208 208 GLY CA C 13 46.0 0.2 . 1 . . . . 206 G CA . 16965 1 495 . 1 1 208 208 GLY N N 15 116.8 0.2 . 1 . . . . 206 G N . 16965 1 496 . 1 1 209 209 ILE CA C 13 61.5 0.2 . 1 . . . . 207 I CA . 16965 1 497 . 1 1 209 209 ILE CB C 13 40.9 0.2 . 1 . . . . 207 I CB . 16965 1 498 . 1 1 209 209 ILE N N 15 115.2 0.2 . 1 . . . . 207 I N . 16965 1 499 . 1 1 210 210 ASP CA C 13 53.1 0.2 . 1 . . . . 208 D CA . 16965 1 500 . 1 1 210 210 ASP CB C 13 41.7 0.2 . 1 . . . . 208 D CB . 16965 1 501 . 1 1 210 210 ASP N N 15 120.6 0.2 . 1 . . . . 208 D N . 16965 1 502 . 1 1 211 211 ALA CA C 13 54.0 0.2 . 1 . . . . 209 A CA . 16965 1 503 . 1 1 211 211 ALA CB C 13 18.3 0.2 . 1 . . . . 209 A CB . 16965 1 504 . 1 1 211 211 ALA N N 15 129.3 0.2 . 1 . . . . 209 A N . 16965 1 505 . 1 1 212 212 ALA CA C 13 55.0 0.2 . 1 . . . . 210 A CA . 16965 1 506 . 1 1 212 212 ALA CB C 13 17.7 0.2 . 1 . . . . 210 A CB . 16965 1 507 . 1 1 212 212 ALA N N 15 120.0 0.2 . 1 . . . . 210 A N . 16965 1 508 . 1 1 213 213 MET CA C 13 58.4 0.2 . 1 . . . . 211 M CA . 16965 1 509 . 1 1 213 213 MET CB C 13 33.4 0.2 . 1 . . . . 211 M CB . 16965 1 510 . 1 1 213 213 MET N N 15 121.2 0.2 . 1 . . . . 211 M N . 16965 1 511 . 1 1 214 214 SER CA C 13 62.7 0.2 . 1 . . . . 212 S CA . 16965 1 512 . 1 1 214 214 SER N N 15 113.5 0.2 . 1 . . . . 212 S N . 16965 1 513 . 1 1 215 215 ASP CA C 13 57.1 0.2 . 1 . . . . 213 D CA . 16965 1 514 . 1 1 215 215 ASP CB C 13 40.4 0.2 . 1 . . . . 213 D CB . 16965 1 515 . 1 1 215 215 ASP N N 15 119.6 0.2 . 1 . . . . 213 D N . 16965 1 516 . 1 1 216 216 ALA CA C 13 55.0 0.2 . 1 . . . . 214 A CA . 16965 1 517 . 1 1 216 216 ALA CB C 13 17.3 0.2 . 1 . . . . 214 A CB . 16965 1 518 . 1 1 216 216 ALA N N 15 123.0 0.2 . 1 . . . . 214 A N . 16965 1 519 . 1 1 217 217 ALA CA C 13 55.2 0.2 . 1 . . . . 215 A CA . 16965 1 520 . 1 1 217 217 ALA CB C 13 17.2 0.2 . 1 . . . . 215 A CB . 16965 1 521 . 1 1 217 217 ALA N N 15 121.9 0.2 . 1 . . . . 215 A N . 16965 1 522 . 1 1 218 218 ALA CA C 13 55.3 0.2 . 1 . . . . 216 A CA . 16965 1 523 . 1 1 218 218 ALA CB C 13 18.3 0.2 . 1 . . . . 216 A CB . 16965 1 524 . 1 1 218 218 ALA N N 15 119.9 0.2 . 1 . . . . 216 A N . 16965 1 525 . 1 1 219 219 GLN CA C 13 58.6 0.2 . 1 . . . . 217 Q CA . 16965 1 526 . 1 1 219 219 GLN CB C 13 28.3 0.2 . 1 . . . . 217 Q CB . 16965 1 527 . 1 1 219 219 GLN N N 15 116.9 0.2 . 1 . . . . 217 Q N . 16965 1 528 . 1 1 220 220 LYS CA C 13 59.9 0.2 . 1 . . . . 218 K CA . 16965 1 529 . 1 1 220 220 LYS CB C 13 32.4 0.2 . 1 . . . . 218 K CB . 16965 1 530 . 1 1 220 220 LYS N N 15 121.2 0.2 . 1 . . . . 218 K N . 16965 1 531 . 1 1 221 221 ILE CA C 13 66.2 0.2 . 1 . . . . 219 I CA . 16965 1 532 . 1 1 221 221 ILE CB C 13 37.8 0.2 . 1 . . . . 219 I CB . 16965 1 533 . 1 1 221 221 ILE N N 15 120.9 0.2 . 1 . . . . 219 I N . 16965 1 534 . 1 1 222 222 ASP CA C 13 57.2 0.2 . 1 . . . . 220 D CA . 16965 1 535 . 1 1 222 222 ASP CB C 13 40.3 0.2 . 1 . . . . 220 D CB . 16965 1 536 . 1 1 222 222 ASP N N 15 118.6 0.2 . 1 . . . . 220 D N . 16965 1 537 . 1 1 223 223 ALA CA C 13 54.1 0.2 . 1 . . . . 221 A CA . 16965 1 538 . 1 1 223 223 ALA CB C 13 18.3 0.2 . 1 . . . . 221 A CB . 16965 1 539 . 1 1 223 223 ALA N N 15 121.2 0.2 . 1 . . . . 221 A N . 16965 1 540 . 1 1 224 224 ILE CA C 13 64.4 0.2 . 1 . . . . 222 I CA . 16965 1 541 . 1 1 224 224 ILE CB C 13 38.4 0.2 . 1 . . . . 222 I CB . 16965 1 542 . 1 1 224 224 ILE N N 15 119.6 0.2 . 1 . . . . 222 I N . 16965 1 543 . 1 1 225 225 VAL CA C 13 64.1 0.2 . 1 . . . . 223 V CA . 16965 1 544 . 1 1 225 225 VAL CB C 13 31.7 0.2 . 1 . . . . 223 V CB . 16965 1 545 . 1 1 226 226 GLY CA C 13 45.8 0.2 . 1 . . . . 224 G CA . 16965 1 546 . 1 1 226 226 GLY N N 15 109.5 0.2 . 1 . . . . 224 G N . 16965 1 547 . 1 1 227 227 ARG CA C 13 56.6 0.2 . 1 . . . . 225 R CA . 16965 1 548 . 1 1 227 227 ARG CB C 13 30.3 0.2 . 1 . . . . 225 R CB . 16965 1 549 . 1 1 227 227 ARG N N 15 120.3 0.2 . 1 . . . . 225 R N . 16965 1 550 . 1 1 228 228 ASN CA C 13 53.4 0.2 . 1 . . . . 226 N CA . 16965 1 551 . 1 1 228 228 ASN CB C 13 39.1 0.2 . 1 . . . . 226 N CB . 16965 1 552 . 1 1 228 228 ASN N N 15 119.8 0.2 . 1 . . . . 226 N N . 16965 1 553 . 1 1 229 229 SER CA C 13 60.1 0.2 . 1 . . . . 227 S CA . 16965 1 554 . 1 1 229 229 SER CB C 13 64.5 0.2 . 1 . . . . 227 S CB . 16965 1 555 . 1 1 229 229 SER N N 15 121.7 0.2 . 1 . . . . 227 S N . 16965 1 stop_ save_