data_51508 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51508 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for ASCb ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-06-29 _Entry.Accession_date 2022-06-29 _Entry.Last_release_date 2022-06-29 _Entry.Original_release_date 2022-06-29 _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 1 _Entry.Generated_software_label $software_1 _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 Pedro Diaz-parga . . . . 51508 2 Eva 'de Alba babastarrechea' . . . . 51508 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51508 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 321 51508 '15N chemical shifts' 171 51508 '1H chemical shifts' 171 51508 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 . . 2022-07-04 . original BMRB . 51508 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51509 'engineered protein ASC3X' 51508 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51508 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35007535 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Inflammasome regulation by adaptor isoforms, ASC and ASCb, via differential self-assembly ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 298 _Citation.Journal_issue 3 _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 101566 _Citation.Page_last 101566 _Citation.Year 2022 _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 Pedro Diaz-parga . . . . 51508 1 2 Eva 'de Alba babastarrechea' . . . . 51508 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'inflammation, inflammasome regulation, inflammasome adaptor protein isoforms, protein oligomerization and self-assembly' 51508 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51508 _Assembly.ID 1 _Assembly.Name 'ASCb protein' _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 22132.2344 _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 'ASCb protein' 1 $entity_1 . . yes native no no . . . 51508 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51508 _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 ; MGSSHHHHHHSSGLVPRGSH MGRARDAILDALENLTAEEL KKFKLKLLSVPLREGYGRIP RGALLSMDALDLTDKLVSFY LETYGAELTANVLRDMGLQE MAGQLQAATHQGLHFIDQHR AALIARVTNVEWLLDALYGK VLTDEQYQAVRAEPTNPSKM RKLFSFTPAWNWTCKDLLLQ ALRESQSYLVEDLERS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; Residues 1-20 contain a His-tag and a thrombin cleavage site. Sequence of ASCb begins at residue 21 (M) and is labeled as M1 in the NMR file. ; _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 196 _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 22132.2344 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 yes UNP Q9ULZ3-2 . 'ASCb, vASC' . . . . . . . . . . . . . . 51508 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Functions as an adaptor, linking the inflammatory sensor and effector during inflammasome formation.' 51508 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 -19 MET . 51508 1 2 -18 GLY . 51508 1 3 -17 SER . 51508 1 4 -16 SER . 51508 1 5 -15 HIS . 51508 1 6 -14 HIS . 51508 1 7 -13 HIS . 51508 1 8 -12 HIS . 51508 1 9 -11 HIS . 51508 1 10 -10 HIS . 51508 1 11 -9 SER . 51508 1 12 -8 SER . 51508 1 13 -7 GLY . 51508 1 14 -6 LEU . 51508 1 15 -5 VAL . 51508 1 16 -4 PRO . 51508 1 17 -3 ARG . 51508 1 18 -2 GLY . 51508 1 19 -1 SER . 51508 1 20 0 HIS . 51508 1 21 1 MET . 51508 1 22 2 GLY . 51508 1 23 3 ARG . 51508 1 24 4 ALA . 51508 1 25 5 ARG . 51508 1 26 6 ASP . 51508 1 27 7 ALA . 51508 1 28 8 ILE . 51508 1 29 9 LEU . 51508 1 30 10 ASP . 51508 1 31 11 ALA . 51508 1 32 12 LEU . 51508 1 33 13 GLU . 51508 1 34 14 ASN . 51508 1 35 15 LEU . 51508 1 36 16 THR . 51508 1 37 17 ALA . 51508 1 38 18 GLU . 51508 1 39 19 GLU . 51508 1 40 20 LEU . 51508 1 41 21 LYS . 51508 1 42 22 LYS . 51508 1 43 23 PHE . 51508 1 44 24 LYS . 51508 1 45 25 LEU . 51508 1 46 26 LYS . 51508 1 47 27 LEU . 51508 1 48 28 LEU . 51508 1 49 29 SER . 51508 1 50 30 VAL . 51508 1 51 31 PRO . 51508 1 52 32 LEU . 51508 1 53 33 ARG . 51508 1 54 34 GLU . 51508 1 55 35 GLY . 51508 1 56 36 TYR . 51508 1 57 37 GLY . 51508 1 58 38 ARG . 51508 1 59 39 ILE . 51508 1 60 40 PRO . 51508 1 61 41 ARG . 51508 1 62 42 GLY . 51508 1 63 43 ALA . 51508 1 64 44 LEU . 51508 1 65 45 LEU . 51508 1 66 46 SER . 51508 1 67 47 MET . 51508 1 68 48 ASP . 51508 1 69 49 ALA . 51508 1 70 50 LEU . 51508 1 71 51 ASP . 51508 1 72 52 LEU . 51508 1 73 53 THR . 51508 1 74 54 ASP . 51508 1 75 55 LYS . 51508 1 76 56 LEU . 51508 1 77 57 VAL . 51508 1 78 58 SER . 51508 1 79 59 PHE . 51508 1 80 60 TYR . 51508 1 81 61 LEU . 51508 1 82 62 GLU . 51508 1 83 63 THR . 51508 1 84 64 TYR . 51508 1 85 65 GLY . 51508 1 86 66 ALA . 51508 1 87 67 GLU . 51508 1 88 68 LEU . 51508 1 89 69 THR . 51508 1 90 70 ALA . 51508 1 91 71 ASN . 51508 1 92 72 VAL . 51508 1 93 73 LEU . 51508 1 94 74 ARG . 51508 1 95 75 ASP . 51508 1 96 76 MET . 51508 1 97 77 GLY . 51508 1 98 78 LEU . 51508 1 99 79 GLN . 51508 1 100 80 GLU . 51508 1 101 81 MET . 51508 1 102 82 ALA . 51508 1 103 83 GLY . 51508 1 104 84 GLN . 51508 1 105 85 LEU . 51508 1 106 86 GLN . 51508 1 107 87 ALA . 51508 1 108 88 ALA . 51508 1 109 89 THR . 51508 1 110 90 HIS . 51508 1 111 91 GLN . 51508 1 112 92 GLY . 51508 1 113 93 LEU . 51508 1 114 94 HIS . 51508 1 115 95 PHE . 51508 1 116 96 ILE . 51508 1 117 97 ASP . 51508 1 118 98 GLN . 51508 1 119 99 HIS . 51508 1 120 100 ARG . 51508 1 121 101 ALA . 51508 1 122 102 ALA . 51508 1 123 103 LEU . 51508 1 124 104 ILE . 51508 1 125 105 ALA . 51508 1 126 106 ARG . 51508 1 127 107 VAL . 51508 1 128 108 THR . 51508 1 129 109 ASN . 51508 1 130 110 VAL . 51508 1 131 111 GLU . 51508 1 132 112 TRP . 51508 1 133 113 LEU . 51508 1 134 114 LEU . 51508 1 135 115 ASP . 51508 1 136 116 ALA . 51508 1 137 117 LEU . 51508 1 138 118 TYR . 51508 1 139 119 GLY . 51508 1 140 120 LYS . 51508 1 141 121 VAL . 51508 1 142 122 LEU . 51508 1 143 123 THR . 51508 1 144 124 ASP . 51508 1 145 125 GLU . 51508 1 146 126 GLN . 51508 1 147 127 TYR . 51508 1 148 128 GLN . 51508 1 149 129 ALA . 51508 1 150 130 VAL . 51508 1 151 131 ARG . 51508 1 152 132 ALA . 51508 1 153 133 GLU . 51508 1 154 134 PRO . 51508 1 155 135 THR . 51508 1 156 136 ASN . 51508 1 157 137 PRO . 51508 1 158 138 SER . 51508 1 159 139 LYS . 51508 1 160 140 MET . 51508 1 161 141 ARG . 51508 1 162 142 LYS . 51508 1 163 143 LEU . 51508 1 164 144 PHE . 51508 1 165 145 SER . 51508 1 166 146 PHE . 51508 1 167 147 THR . 51508 1 168 148 PRO . 51508 1 169 149 ALA . 51508 1 170 150 TRP . 51508 1 171 151 ASN . 51508 1 172 152 TRP . 51508 1 173 153 THR . 51508 1 174 154 CYS . 51508 1 175 155 LYS . 51508 1 176 156 ASP . 51508 1 177 157 LEU . 51508 1 178 158 LEU . 51508 1 179 159 LEU . 51508 1 180 160 GLN . 51508 1 181 161 ALA . 51508 1 182 162 LEU . 51508 1 183 163 ARG . 51508 1 184 164 GLU . 51508 1 185 165 SER . 51508 1 186 166 GLN . 51508 1 187 167 SER . 51508 1 188 168 TYR . 51508 1 189 169 LEU . 51508 1 190 170 VAL . 51508 1 191 171 GLU . 51508 1 192 172 ASP . 51508 1 193 173 LEU . 51508 1 194 174 GLU . 51508 1 195 175 ARG . 51508 1 196 176 SER . 51508 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 51508 1 . GLY 2 2 51508 1 . SER 3 3 51508 1 . SER 4 4 51508 1 . HIS 5 5 51508 1 . HIS 6 6 51508 1 . HIS 7 7 51508 1 . HIS 8 8 51508 1 . HIS 9 9 51508 1 . HIS 10 10 51508 1 . SER 11 11 51508 1 . SER 12 12 51508 1 . GLY 13 13 51508 1 . LEU 14 14 51508 1 . VAL 15 15 51508 1 . PRO 16 16 51508 1 . ARG 17 17 51508 1 . GLY 18 18 51508 1 . SER 19 19 51508 1 . HIS 20 20 51508 1 . MET 21 21 51508 1 . GLY 22 22 51508 1 . ARG 23 23 51508 1 . ALA 24 24 51508 1 . ARG 25 25 51508 1 . ASP 26 26 51508 1 . ALA 27 27 51508 1 . ILE 28 28 51508 1 . LEU 29 29 51508 1 . ASP 30 30 51508 1 . ALA 31 31 51508 1 . LEU 32 32 51508 1 . GLU 33 33 51508 1 . ASN 34 34 51508 1 . LEU 35 35 51508 1 . THR 36 36 51508 1 . ALA 37 37 51508 1 . GLU 38 38 51508 1 . GLU 39 39 51508 1 . LEU 40 40 51508 1 . LYS 41 41 51508 1 . LYS 42 42 51508 1 . PHE 43 43 51508 1 . LYS 44 44 51508 1 . LEU 45 45 51508 1 . LYS 46 46 51508 1 . LEU 47 47 51508 1 . LEU 48 48 51508 1 . SER 49 49 51508 1 . VAL 50 50 51508 1 . PRO 51 51 51508 1 . LEU 52 52 51508 1 . ARG 53 53 51508 1 . GLU 54 54 51508 1 . GLY 55 55 51508 1 . TYR 56 56 51508 1 . GLY 57 57 51508 1 . ARG 58 58 51508 1 . ILE 59 59 51508 1 . PRO 60 60 51508 1 . ARG 61 61 51508 1 . GLY 62 62 51508 1 . ALA 63 63 51508 1 . LEU 64 64 51508 1 . LEU 65 65 51508 1 . SER 66 66 51508 1 . MET 67 67 51508 1 . ASP 68 68 51508 1 . ALA 69 69 51508 1 . LEU 70 70 51508 1 . ASP 71 71 51508 1 . LEU 72 72 51508 1 . THR 73 73 51508 1 . ASP 74 74 51508 1 . LYS 75 75 51508 1 . LEU 76 76 51508 1 . VAL 77 77 51508 1 . SER 78 78 51508 1 . PHE 79 79 51508 1 . TYR 80 80 51508 1 . LEU 81 81 51508 1 . GLU 82 82 51508 1 . THR 83 83 51508 1 . TYR 84 84 51508 1 . GLY 85 85 51508 1 . ALA 86 86 51508 1 . GLU 87 87 51508 1 . LEU 88 88 51508 1 . THR 89 89 51508 1 . ALA 90 90 51508 1 . ASN 91 91 51508 1 . VAL 92 92 51508 1 . LEU 93 93 51508 1 . ARG 94 94 51508 1 . ASP 95 95 51508 1 . MET 96 96 51508 1 . GLY 97 97 51508 1 . LEU 98 98 51508 1 . GLN 99 99 51508 1 . GLU 100 100 51508 1 . MET 101 101 51508 1 . ALA 102 102 51508 1 . GLY 103 103 51508 1 . GLN 104 104 51508 1 . LEU 105 105 51508 1 . GLN 106 106 51508 1 . ALA 107 107 51508 1 . ALA 108 108 51508 1 . THR 109 109 51508 1 . HIS 110 110 51508 1 . GLN 111 111 51508 1 . GLY 112 112 51508 1 . LEU 113 113 51508 1 . HIS 114 114 51508 1 . PHE 115 115 51508 1 . ILE 116 116 51508 1 . ASP 117 117 51508 1 . GLN 118 118 51508 1 . HIS 119 119 51508 1 . ARG 120 120 51508 1 . ALA 121 121 51508 1 . ALA 122 122 51508 1 . LEU 123 123 51508 1 . ILE 124 124 51508 1 . ALA 125 125 51508 1 . ARG 126 126 51508 1 . VAL 127 127 51508 1 . THR 128 128 51508 1 . ASN 129 129 51508 1 . VAL 130 130 51508 1 . GLU 131 131 51508 1 . TRP 132 132 51508 1 . LEU 133 133 51508 1 . LEU 134 134 51508 1 . ASP 135 135 51508 1 . ALA 136 136 51508 1 . LEU 137 137 51508 1 . TYR 138 138 51508 1 . GLY 139 139 51508 1 . LYS 140 140 51508 1 . VAL 141 141 51508 1 . LEU 142 142 51508 1 . THR 143 143 51508 1 . ASP 144 144 51508 1 . GLU 145 145 51508 1 . GLN 146 146 51508 1 . TYR 147 147 51508 1 . GLN 148 148 51508 1 . ALA 149 149 51508 1 . VAL 150 150 51508 1 . ARG 151 151 51508 1 . ALA 152 152 51508 1 . GLU 153 153 51508 1 . PRO 154 154 51508 1 . THR 155 155 51508 1 . ASN 156 156 51508 1 . PRO 157 157 51508 1 . SER 158 158 51508 1 . LYS 159 159 51508 1 . MET 160 160 51508 1 . ARG 161 161 51508 1 . LYS 162 162 51508 1 . LEU 163 163 51508 1 . PHE 164 164 51508 1 . SER 165 165 51508 1 . PHE 166 166 51508 1 . THR 167 167 51508 1 . PRO 168 168 51508 1 . ALA 169 169 51508 1 . TRP 170 170 51508 1 . ASN 171 171 51508 1 . TRP 172 172 51508 1 . THR 173 173 51508 1 . CYS 174 174 51508 1 . LYS 175 175 51508 1 . ASP 176 176 51508 1 . LEU 177 177 51508 1 . LEU 178 178 51508 1 . LEU 179 179 51508 1 . GLN 180 180 51508 1 . ALA 181 181 51508 1 . LEU 182 182 51508 1 . ARG 183 183 51508 1 . GLU 184 184 51508 1 . SER 185 185 51508 1 . GLN 186 186 51508 1 . SER 187 187 51508 1 . TYR 188 188 51508 1 . LEU 189 189 51508 1 . VAL 190 190 51508 1 . GLU 191 191 51508 1 . ASP 192 192 51508 1 . LEU 193 193 51508 1 . GLU 194 194 51508 1 . ARG 195 195 51508 1 . SER 196 196 51508 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 51508 _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 . . . . . . . . . . . . . 51508 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 51508 _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 . . . 51508 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51508 _Sample.ID 1 _Sample.Name '13C 15N ASCb sample' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 glycine 'natural abundance' . . . . . . 20 . . mM . . . . 51508 1 2 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 51508 1 3 ASCb '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.2 . . mM . . . . 51508 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 51508 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'non-oligomerizing conditions' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0 . M 51508 1 pH 3.8 . pH 51508 1 pressure 1 . atm 51508 1 temperature 298 . K 51508 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51508 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details 'Bruker NMR software' loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51508 1 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 51508 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 800 MHz' _NMR_spectrometer.Details 'Bruker Avance III HD 800 MHz spectrometer equipped with a TCI cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 51508 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51508 1 2 '3D CBCA(CO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51508 1 3 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51508 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 51508 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name '1H 13C 15N ASCb Chemical shifts' _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 TSP 'methyl carbon' . . . . ppm 0 external direct 1 . . . . . 51508 1 H 1 TSP 'methyl protons' . . . . ppm 0 external direct 1 . . . . . 51508 1 N 15 TSP nitrogen . . . . ppm 0 external direct 1 . . . . . 51508 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 51508 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'ASCb Chemical Shifts' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 51508 1 2 '3D CBCA(CO)NH' . . . 51508 1 3 '3D HNCACB' . . . 51508 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 1 $software_1 . . 51508 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 21 21 MET H H 1 8.351 . . . . . . . . 1 MET H . 51508 1 2 . 1 . 1 21 21 MET CA C 13 55.545 . . . . . . . . 1 MET CA . 51508 1 3 . 1 . 1 21 21 MET CB C 13 32.931 . . . . . . . . 1 MET CB . 51508 1 4 . 1 . 1 21 21 MET N N 15 120.855 . . . . . . . . 1 MET N . 51508 1 5 . 1 . 1 22 22 GLY H H 1 8.573 . . . . . . . . 2 GLY H . 51508 1 6 . 1 . 1 22 22 GLY CA C 13 45.344 . . . . . . . . 2 GLY CA . 51508 1 7 . 1 . 1 22 22 GLY N N 15 110.838 . . . . . . . . 2 GLY N . 51508 1 8 . 1 . 1 23 23 ARG H H 1 8.298 . . . . . . . . 3 ARG H . 51508 1 9 . 1 . 1 23 23 ARG CA C 13 57.169 . . . . . . . . 3 ARG CA . 51508 1 10 . 1 . 1 23 23 ARG CB C 13 30.706 . . . . . . . . 3 ARG CB . 51508 1 11 . 1 . 1 23 23 ARG N N 15 120.126 . . . . . . . . 3 ARG N . 51508 1 12 . 1 . 1 24 24 ALA H H 1 8.676 . . . . . . . . 4 ALA H . 51508 1 13 . 1 . 1 24 24 ALA CA C 13 55.527 . . . . . . . . 4 ALA CA . 51508 1 14 . 1 . 1 24 24 ALA CB C 13 18.167 . . . . . . . . 4 ALA CB . 51508 1 15 . 1 . 1 24 24 ALA N N 15 124.233 . . . . . . . . 4 ALA N . 51508 1 16 . 1 . 1 25 25 ARG H H 1 8.616 . . . . . . . . 5 ARG H . 51508 1 17 . 1 . 1 25 25 ARG CA C 13 60.275 . . . . . . . . 5 ARG CA . 51508 1 18 . 1 . 1 25 25 ARG CB C 13 29.572 . . . . . . . . 5 ARG CB . 51508 1 19 . 1 . 1 25 25 ARG N N 15 117.364 . . . . . . . . 5 ARG N . 51508 1 20 . 1 . 1 26 26 ASP H H 1 7.643 . . . . . . . . 6 ASP H . 51508 1 21 . 1 . 1 26 26 ASP CA C 13 56.994 . . . . . . . . 6 ASP CA . 51508 1 22 . 1 . 1 26 26 ASP CB C 13 39.86 . . . . . . . . 6 ASP CB . 51508 1 23 . 1 . 1 26 26 ASP N N 15 117.29 . . . . . . . . 6 ASP N . 51508 1 24 . 1 . 1 27 27 ALA H H 1 7.682 . . . . . . . . 7 ALA H . 51508 1 25 . 1 . 1 27 27 ALA CA C 13 54.961 . . . . . . . . 7 ALA CA . 51508 1 26 . 1 . 1 27 27 ALA CB C 13 18.713 . . . . . . . . 7 ALA CB . 51508 1 27 . 1 . 1 27 27 ALA N N 15 122.56 . . . . . . . . 7 ALA N . 51508 1 28 . 1 . 1 28 28 ILE H H 1 8.175 . . . . . . . . 8 ILE H . 51508 1 29 . 1 . 1 28 28 ILE CA C 13 66.204 . . . . . . . . 8 ILE CA . 51508 1 30 . 1 . 1 28 28 ILE CB C 13 38.585 . . . . . . . . 8 ILE CB . 51508 1 31 . 1 . 1 28 28 ILE N N 15 120.933 . . . . . . . . 8 ILE N . 51508 1 32 . 1 . 1 29 29 LEU H H 1 7.93 . . . . . . . . 9 LEU H . 51508 1 33 . 1 . 1 29 29 LEU CA C 13 57.862 . . . . . . . . 9 LEU CA . 51508 1 34 . 1 . 1 29 29 LEU CB C 13 41.49 . . . . . . . . 9 LEU CB . 51508 1 35 . 1 . 1 29 29 LEU N N 15 119.726 . . . . . . . . 9 LEU N . 51508 1 36 . 1 . 1 30 30 ASP H H 1 7.919 . . . . . . . . 10 ASP H . 51508 1 37 . 1 . 1 30 30 ASP CA C 13 56.738 . . . . . . . . 10 ASP CA . 51508 1 38 . 1 . 1 30 30 ASP CB C 13 40.234 . . . . . . . . 10 ASP CB . 51508 1 39 . 1 . 1 30 30 ASP N N 15 115.962 . . . . . . . . 10 ASP N . 51508 1 40 . 1 . 1 31 31 ALA H H 1 7.361 . . . . . . . . 11 ALA H . 51508 1 41 . 1 . 1 31 31 ALA CA C 13 54.875 . . . . . . . . 11 ALA CA . 51508 1 42 . 1 . 1 31 31 ALA CB C 13 17.946 . . . . . . . . 11 ALA CB . 51508 1 43 . 1 . 1 31 31 ALA N N 15 119.79 . . . . . . . . 11 ALA N . 51508 1 44 . 1 . 1 32 32 LEU H H 1 8.283 . . . . . . . . 12 LEU H . 51508 1 45 . 1 . 1 32 32 LEU CA C 13 57.77 . . . . . . . . 12 LEU CA . 51508 1 46 . 1 . 1 32 32 LEU CB C 13 41.242 . . . . . . . . 12 LEU CB . 51508 1 47 . 1 . 1 32 32 LEU N N 15 114.663 . . . . . . . . 12 LEU N . 51508 1 48 . 1 . 1 33 33 GLU H H 1 8.825 . . . . . . . . 13 GLU H . 51508 1 49 . 1 . 1 33 33 GLU CA C 13 57.634 . . . . . . . . 13 GLU CA . 51508 1 50 . 1 . 1 33 33 GLU CB C 13 28.236 . . . . . . . . 13 GLU CB . 51508 1 51 . 1 . 1 33 33 GLU N N 15 116.624 . . . . . . . . 13 GLU N . 51508 1 52 . 1 . 1 34 34 ASN H H 1 7.326 . . . . . . . . 14 ASN H . 51508 1 53 . 1 . 1 34 34 ASN CA C 13 53.636 . . . . . . . . 14 ASN CA . 51508 1 54 . 1 . 1 34 34 ASN CB C 13 39.844 . . . . . . . . 14 ASN CB . 51508 1 55 . 1 . 1 34 34 ASN N N 15 116.116 . . . . . . . . 14 ASN N . 51508 1 56 . 1 . 1 35 35 LEU H H 1 6.919 . . . . . . . . 15 LEU H . 51508 1 57 . 1 . 1 35 35 LEU CA C 13 54.396 . . . . . . . . 15 LEU CA . 51508 1 58 . 1 . 1 35 35 LEU CB C 13 41.168 . . . . . . . . 15 LEU CB . 51508 1 59 . 1 . 1 35 35 LEU N N 15 119.528 . . . . . . . . 15 LEU N . 51508 1 60 . 1 . 1 36 36 THR H H 1 8.566 . . . . . . . . 16 THR H . 51508 1 61 . 1 . 1 36 36 THR CA C 13 60.957 . . . . . . . . 16 THR CA . 51508 1 62 . 1 . 1 36 36 THR CB C 13 70.63 . . . . . . . . 16 THR CB . 51508 1 63 . 1 . 1 36 36 THR N N 15 113.68 . . . . . . . . 16 THR N . 51508 1 64 . 1 . 1 37 37 ALA H H 1 8.914 . . . . . . . . 17 ALA H . 51508 1 65 . 1 . 1 37 37 ALA CA C 13 55.804 . . . . . . . . 17 ALA CA . 51508 1 66 . 1 . 1 37 37 ALA CB C 13 17.753 . . . . . . . . 17 ALA CB . 51508 1 67 . 1 . 1 37 37 ALA N N 15 123.284 . . . . . . . . 17 ALA N . 51508 1 68 . 1 . 1 38 38 GLU H H 1 8.568 . . . . . . . . 18 GLU H . 51508 1 69 . 1 . 1 38 38 GLU CA C 13 59.335 . . . . . . . . 18 GLU CA . 51508 1 70 . 1 . 1 38 38 GLU CB C 13 29.074 . . . . . . . . 18 GLU CB . 51508 1 71 . 1 . 1 38 38 GLU N N 15 117.661 . . . . . . . . 18 GLU N . 51508 1 72 . 1 . 1 39 39 GLU H H 1 7.72 . . . . . . . . 19 GLU H . 51508 1 73 . 1 . 1 39 39 GLU CA C 13 58.498 . . . . . . . . 19 GLU CA . 51508 1 74 . 1 . 1 39 39 GLU CB C 13 30.089 . . . . . . . . 19 GLU CB . 51508 1 75 . 1 . 1 39 39 GLU N N 15 119.996 . . . . . . . . 19 GLU N . 51508 1 76 . 1 . 1 40 40 LEU H H 1 9.059 . . . . . . . . 20 LEU H . 51508 1 77 . 1 . 1 40 40 LEU CA C 13 57.829 . . . . . . . . 20 LEU CA . 51508 1 78 . 1 . 1 40 40 LEU CB C 13 40.582 . . . . . . . . 20 LEU CB . 51508 1 79 . 1 . 1 40 40 LEU N N 15 121.86 . . . . . . . . 20 LEU N . 51508 1 80 . 1 . 1 41 41 LYS H H 1 7.529 . . . . . . . . 21 LYS H . 51508 1 81 . 1 . 1 41 41 LYS CA C 13 60.324 . . . . . . . . 21 LYS CA . 51508 1 82 . 1 . 1 41 41 LYS CB C 13 32.152 . . . . . . . . 21 LYS CB . 51508 1 83 . 1 . 1 41 41 LYS N N 15 118.615 . . . . . . . . 21 LYS N . 51508 1 84 . 1 . 1 42 42 LYS H H 1 7.601 . . . . . . . . 22 LYS H . 51508 1 85 . 1 . 1 42 42 LYS CA C 13 59.746 . . . . . . . . 22 LYS CA . 51508 1 86 . 1 . 1 42 42 LYS CB C 13 32.498 . . . . . . . . 22 LYS CB . 51508 1 87 . 1 . 1 42 42 LYS N N 15 118.698 . . . . . . . . 22 LYS N . 51508 1 88 . 1 . 1 43 43 PHE H H 1 8.791 . . . . . . . . 23 PHE H . 51508 1 89 . 1 . 1 43 43 PHE CA C 13 61.562 . . . . . . . . 23 PHE CA . 51508 1 90 . 1 . 1 43 43 PHE CB C 13 39.464 . . . . . . . . 23 PHE CB . 51508 1 91 . 1 . 1 43 43 PHE N N 15 122.026 . . . . . . . . 23 PHE N . 51508 1 92 . 1 . 1 44 44 LYS H H 1 8.094 . . . . . . . . 24 LYS H . 51508 1 93 . 1 . 1 44 44 LYS CA C 13 60.548 . . . . . . . . 24 LYS CA . 51508 1 94 . 1 . 1 44 44 LYS CB C 13 33.149 . . . . . . . . 24 LYS CB . 51508 1 95 . 1 . 1 44 44 LYS N N 15 117.256 . . . . . . . . 24 LYS N . 51508 1 96 . 1 . 1 45 45 LEU H H 1 7.748 . . . . . . . . 25 LEU H . 51508 1 97 . 1 . 1 45 45 LEU CA C 13 57.822 . . . . . . . . 25 LEU CA . 51508 1 98 . 1 . 1 45 45 LEU CB C 13 41.29 . . . . . . . . 25 LEU CB . 51508 1 99 . 1 . 1 45 45 LEU N N 15 115.925 . . . . . . . . 25 LEU N . 51508 1 100 . 1 . 1 46 46 LYS H H 1 8.127 . . . . . . . . 26 LYS H . 51508 1 101 . 1 . 1 46 46 LYS CA C 13 58.091 . . . . . . . . 26 LYS CA . 51508 1 102 . 1 . 1 46 46 LYS CB C 13 31.98 . . . . . . . . 26 LYS CB . 51508 1 103 . 1 . 1 46 46 LYS N N 15 120.626 . . . . . . . . 26 LYS N . 51508 1 104 . 1 . 1 47 47 LEU H H 1 7.91 . . . . . . . . 27 LEU H . 51508 1 105 . 1 . 1 47 47 LEU CA C 13 57.634 . . . . . . . . 27 LEU CA . 51508 1 106 . 1 . 1 47 47 LEU CB C 13 41.026 . . . . . . . . 27 LEU CB . 51508 1 107 . 1 . 1 47 47 LEU N N 15 120.829 . . . . . . . . 27 LEU N . 51508 1 108 . 1 . 1 48 48 LEU H H 1 7.326 . . . . . . . . 28 LEU H . 51508 1 109 . 1 . 1 48 48 LEU CA C 13 56.246 . . . . . . . . 28 LEU CA . 51508 1 110 . 1 . 1 48 48 LEU CB C 13 41.622 . . . . . . . . 28 LEU CB . 51508 1 111 . 1 . 1 48 48 LEU N N 15 116.116 . . . . . . . . 28 LEU N . 51508 1 112 . 1 . 1 49 49 SER H H 1 7.473 . . . . . . . . 29 SER H . 51508 1 113 . 1 . 1 49 49 SER CA C 13 58.029 . . . . . . . . 29 SER CA . 51508 1 114 . 1 . 1 49 49 SER CB C 13 65.378 . . . . . . . . 29 SER CB . 51508 1 115 . 1 . 1 49 49 SER N N 15 110.993 . . . . . . . . 29 SER N . 51508 1 116 . 1 . 1 50 50 VAL H H 1 7.857 . . . . . . . . 30 VAL H . 51508 1 117 . 1 . 1 50 50 VAL N N 15 124.342 . . . . . . . . 30 VAL N . 51508 1 118 . 1 . 1 52 52 LEU H H 1 8.231 . . . . . . . . 32 LEU H . 51508 1 119 . 1 . 1 52 52 LEU CA C 13 52.021 . . . . . . . . 32 LEU CA . 51508 1 120 . 1 . 1 52 52 LEU CB C 13 45.837 . . . . . . . . 32 LEU CB . 51508 1 121 . 1 . 1 52 52 LEU N N 15 122.663 . . . . . . . . 32 LEU N . 51508 1 122 . 1 . 1 53 53 ARG H H 1 7.625 . . . . . . . . 33 ARG H . 51508 1 123 . 1 . 1 53 53 ARG CA C 13 56.509 . . . . . . . . 33 ARG CA . 51508 1 124 . 1 . 1 53 53 ARG CB C 13 31.566 . . . . . . . . 33 ARG CB . 51508 1 125 . 1 . 1 53 53 ARG N N 15 121.21 . . . . . . . . 33 ARG N . 51508 1 126 . 1 . 1 54 54 GLU H H 1 8.507 . . . . . . . . 34 GLU H . 51508 1 127 . 1 . 1 54 54 GLU CA C 13 57.978 . . . . . . . . 34 GLU CA . 51508 1 128 . 1 . 1 54 54 GLU CB C 13 28.889 . . . . . . . . 34 GLU CB . 51508 1 129 . 1 . 1 54 54 GLU N N 15 122.296 . . . . . . . . 34 GLU N . 51508 1 130 . 1 . 1 55 55 GLY H H 1 8.693 . . . . . . . . 35 GLY H . 51508 1 131 . 1 . 1 55 55 GLY CA C 13 44.748 . . . . . . . . 35 GLY CA . 51508 1 132 . 1 . 1 55 55 GLY N N 15 111.344 . . . . . . . . 35 GLY N . 51508 1 133 . 1 . 1 56 56 TYR H H 1 7.435 . . . . . . . . 36 TYR H . 51508 1 134 . 1 . 1 56 56 TYR CA C 13 58.08 . . . . . . . . 36 TYR CA . 51508 1 135 . 1 . 1 56 56 TYR CB C 13 40.66 . . . . . . . . 36 TYR CB . 51508 1 136 . 1 . 1 56 56 TYR N N 15 118.122 . . . . . . . . 36 TYR N . 51508 1 137 . 1 . 1 57 57 GLY H H 1 8.979 . . . . . . . . 37 GLY H . 51508 1 138 . 1 . 1 57 57 GLY CA C 13 43.625 . . . . . . . . 37 GLY CA . 51508 1 139 . 1 . 1 57 57 GLY N N 15 108.985 . . . . . . . . 37 GLY N . 51508 1 140 . 1 . 1 58 58 ARG H H 1 8.481 . . . . . . . . 38 ARG H . 51508 1 141 . 1 . 1 58 58 ARG CA C 13 53.804 . . . . . . . . 38 ARG CA . 51508 1 142 . 1 . 1 58 58 ARG CB C 13 31.231 . . . . . . . . 38 ARG CB . 51508 1 143 . 1 . 1 58 58 ARG N N 15 118.354 . . . . . . . . 38 ARG N . 51508 1 144 . 1 . 1 59 59 ILE H H 1 8.222 . . . . . . . . 39 ILE H . 51508 1 145 . 1 . 1 59 59 ILE N N 15 128.577 . . . . . . . . 39 ILE N . 51508 1 146 . 1 . 1 61 61 ARG H H 1 8.358 . . . . . . . . 41 ARG H . 51508 1 147 . 1 . 1 61 61 ARG CA C 13 60.046 . . . . . . . . 41 ARG CA . 51508 1 148 . 1 . 1 61 61 ARG CB C 13 30.454 . . . . . . . . 41 ARG CB . 51508 1 149 . 1 . 1 61 61 ARG N N 15 124.291 . . . . . . . . 41 ARG N . 51508 1 150 . 1 . 1 62 62 GLY H H 1 8.795 . . . . . . . . 42 GLY H . 51508 1 151 . 1 . 1 62 62 GLY CA C 13 46.698 . . . . . . . . 42 GLY CA . 51508 1 152 . 1 . 1 62 62 GLY N N 15 104.679 . . . . . . . . 42 GLY N . 51508 1 153 . 1 . 1 63 63 ALA H H 1 7.183 . . . . . . . . 43 ALA H . 51508 1 154 . 1 . 1 63 63 ALA CA C 13 53.693 . . . . . . . . 43 ALA CA . 51508 1 155 . 1 . 1 63 63 ALA CB C 13 18.363 . . . . . . . . 43 ALA CB . 51508 1 156 . 1 . 1 63 63 ALA N N 15 121.765 . . . . . . . . 43 ALA N . 51508 1 157 . 1 . 1 64 64 LEU H H 1 7.768 . . . . . . . . 44 LEU H . 51508 1 158 . 1 . 1 64 64 LEU CA C 13 57.148 . . . . . . . . 44 LEU CA . 51508 1 159 . 1 . 1 64 64 LEU CB C 13 43.04 . . . . . . . . 44 LEU CB . 51508 1 160 . 1 . 1 64 64 LEU N N 15 116.405 . . . . . . . . 44 LEU N . 51508 1 161 . 1 . 1 65 65 LEU H H 1 7.768 . . . . . . . . 45 LEU H . 51508 1 162 . 1 . 1 65 65 LEU CA C 13 58.858 . . . . . . . . 45 LEU CA . 51508 1 163 . 1 . 1 65 65 LEU CB C 13 41.243 . . . . . . . . 45 LEU CB . 51508 1 164 . 1 . 1 65 65 LEU N N 15 116.405 . . . . . . . . 45 LEU N . 51508 1 165 . 1 . 1 66 66 SER H H 1 7.69 . . . . . . . . 46 SER H . 51508 1 166 . 1 . 1 66 66 SER CA C 13 58.709 . . . . . . . . 46 SER CA . 51508 1 167 . 1 . 1 66 66 SER CB C 13 63.892 . . . . . . . . 46 SER CB . 51508 1 168 . 1 . 1 66 66 SER N N 15 111.827 . . . . . . . . 46 SER N . 51508 1 169 . 1 . 1 67 67 MET H H 1 7.175 . . . . . . . . 47 MET H . 51508 1 170 . 1 . 1 67 67 MET CA C 13 57.882 . . . . . . . . 47 MET CA . 51508 1 171 . 1 . 1 67 67 MET CB C 13 34.453 . . . . . . . . 47 MET CB . 51508 1 172 . 1 . 1 67 67 MET N N 15 119.956 . . . . . . . . 47 MET N . 51508 1 173 . 1 . 1 68 68 ASP H H 1 8.699 . . . . . . . . 48 ASP H . 51508 1 174 . 1 . 1 68 68 ASP CA C 13 51.216 . . . . . . . . 48 ASP CA . 51508 1 175 . 1 . 1 68 68 ASP CB C 13 39.476 . . . . . . . . 48 ASP CB . 51508 1 176 . 1 . 1 68 68 ASP N N 15 122.522 . . . . . . . . 48 ASP N . 51508 1 177 . 1 . 1 69 69 ALA H H 1 8.544 . . . . . . . . 49 ALA H . 51508 1 178 . 1 . 1 69 69 ALA CA C 13 55.997 . . . . . . . . 49 ALA CA . 51508 1 179 . 1 . 1 69 69 ALA CB C 13 18.244 . . . . . . . . 49 ALA CB . 51508 1 180 . 1 . 1 69 69 ALA N N 15 118.365 . . . . . . . . 49 ALA N . 51508 1 181 . 1 . 1 70 70 LEU H H 1 7.811 . . . . . . . . 50 LEU H . 51508 1 182 . 1 . 1 70 70 LEU CA C 13 58.426 . . . . . . . . 50 LEU CA . 51508 1 183 . 1 . 1 70 70 LEU CB C 13 41.434 . . . . . . . . 50 LEU CB . 51508 1 184 . 1 . 1 70 70 LEU N N 15 121.456 . . . . . . . . 50 LEU N . 51508 1 185 . 1 . 1 71 71 ASP H H 1 8.284 . . . . . . . . 51 ASP H . 51508 1 186 . 1 . 1 71 71 ASP CA C 13 56.828 . . . . . . . . 51 ASP CA . 51508 1 187 . 1 . 1 71 71 ASP CB C 13 39.679 . . . . . . . . 51 ASP CB . 51508 1 188 . 1 . 1 71 71 ASP N N 15 119.092 . . . . . . . . 51 ASP N . 51508 1 189 . 1 . 1 72 72 LEU H H 1 8.681 . . . . . . . . 52 LEU H . 51508 1 190 . 1 . 1 72 72 LEU CA C 13 57.547 . . . . . . . . 52 LEU CA . 51508 1 191 . 1 . 1 72 72 LEU CB C 13 41.907 . . . . . . . . 52 LEU CB . 51508 1 192 . 1 . 1 72 72 LEU N N 15 120.398 . . . . . . . . 52 LEU N . 51508 1 193 . 1 . 1 73 73 THR H H 1 7.94 . . . . . . . . 53 THR H . 51508 1 194 . 1 . 1 73 73 THR CA C 13 69.482 . . . . . . . . 53 THR CA . 51508 1 195 . 1 . 1 73 73 THR CB C 13 68.1 . . . . . . . . 53 THR CB . 51508 1 196 . 1 . 1 73 73 THR N N 15 117.897 . . . . . . . . 53 THR N . 51508 1 197 . 1 . 1 74 74 ASP H H 1 7.661 . . . . . . . . 54 ASP H . 51508 1 198 . 1 . 1 74 74 ASP CA C 13 57.316 . . . . . . . . 54 ASP CA . 51508 1 199 . 1 . 1 74 74 ASP CB C 13 39.634 . . . . . . . . 54 ASP CB . 51508 1 200 . 1 . 1 74 74 ASP N N 15 118.414 . . . . . . . . 54 ASP N . 51508 1 201 . 1 . 1 75 75 LYS H H 1 8.327 . . . . . . . . 55 LYS H . 51508 1 202 . 1 . 1 75 75 LYS CA C 13 57.511 . . . . . . . . 55 LYS CA . 51508 1 203 . 1 . 1 75 75 LYS CB C 13 31.287 . . . . . . . . 55 LYS CB . 51508 1 204 . 1 . 1 75 75 LYS N N 15 122.605 . . . . . . . . 55 LYS N . 51508 1 205 . 1 . 1 76 76 LEU H H 1 8.957 . . . . . . . . 56 LEU H . 51508 1 206 . 1 . 1 76 76 LEU CA C 13 58.95 . . . . . . . . 56 LEU CA . 51508 1 207 . 1 . 1 76 76 LEU CB C 13 42.483 . . . . . . . . 56 LEU CB . 51508 1 208 . 1 . 1 76 76 LEU N N 15 120.678 . . . . . . . . 56 LEU N . 51508 1 209 . 1 . 1 77 77 VAL H H 1 7.964 . . . . . . . . 57 VAL H . 51508 1 210 . 1 . 1 77 77 VAL CA C 13 65.826 . . . . . . . . 57 VAL CA . 51508 1 211 . 1 . 1 77 77 VAL CB C 13 31.238 . . . . . . . . 57 VAL CB . 51508 1 212 . 1 . 1 77 77 VAL N N 15 115.265 . . . . . . . . 57 VAL N . 51508 1 213 . 1 . 1 78 78 SER H H 1 8.207 . . . . . . . . 58 SER H . 51508 1 214 . 1 . 1 78 78 SER CA C 13 61.484 . . . . . . . . 58 SER CA . 51508 1 215 . 1 . 1 78 78 SER CB C 13 63.639 . . . . . . . . 58 SER CB . 51508 1 216 . 1 . 1 78 78 SER N N 15 116.719 . . . . . . . . 58 SER N . 51508 1 217 . 1 . 1 79 79 PHE H H 1 8.452 . . . . . . . . 59 PHE H . 51508 1 218 . 1 . 1 79 79 PHE CA C 13 60.748 . . . . . . . . 59 PHE CA . 51508 1 219 . 1 . 1 79 79 PHE CB C 13 38.83 . . . . . . . . 59 PHE CB . 51508 1 220 . 1 . 1 79 79 PHE N N 15 120.036 . . . . . . . . 59 PHE N . 51508 1 221 . 1 . 1 80 80 TYR H H 1 8.039 . . . . . . . . 60 TYR H . 51508 1 222 . 1 . 1 80 80 TYR CA C 13 57.928 . . . . . . . . 60 TYR CA . 51508 1 223 . 1 . 1 80 80 TYR CB C 13 38.953 . . . . . . . . 60 TYR CB . 51508 1 224 . 1 . 1 80 80 TYR N N 15 115.834 . . . . . . . . 60 TYR N . 51508 1 225 . 1 . 1 81 81 LEU H H 1 7.377 . . . . . . . . 61 LEU H . 51508 1 226 . 1 . 1 81 81 LEU CA C 13 57.107 . . . . . . . . 61 LEU CA . 51508 1 227 . 1 . 1 81 81 LEU CB C 13 40.518 . . . . . . . . 61 LEU CB . 51508 1 228 . 1 . 1 81 81 LEU N N 15 111.573 . . . . . . . . 61 LEU N . 51508 1 229 . 1 . 1 82 82 GLU H H 1 8.558 . . . . . . . . 62 GLU H . 51508 1 230 . 1 . 1 82 82 GLU CA C 13 61.208 . . . . . . . . 62 GLU CA . 51508 1 231 . 1 . 1 82 82 GLU CB C 13 29.951 . . . . . . . . 62 GLU CB . 51508 1 232 . 1 . 1 82 82 GLU N N 15 116.133 . . . . . . . . 62 GLU N . 51508 1 233 . 1 . 1 83 83 THR H H 1 7.974 . . . . . . . . 63 THR H . 51508 1 234 . 1 . 1 83 83 THR CA C 13 65.871 . . . . . . . . 63 THR CA . 51508 1 235 . 1 . 1 83 83 THR CB C 13 67.627 . . . . . . . . 63 THR CB . 51508 1 236 . 1 . 1 83 83 THR N N 15 112.084 . . . . . . . . 63 THR N . 51508 1 237 . 1 . 1 84 84 TYR H H 1 8.683 . . . . . . . . 64 TYR H . 51508 1 238 . 1 . 1 84 84 TYR CA C 13 58.175 . . . . . . . . 64 TYR CA . 51508 1 239 . 1 . 1 84 84 TYR CB C 13 35.835 . . . . . . . . 64 TYR CB . 51508 1 240 . 1 . 1 84 84 TYR N N 15 122.782 . . . . . . . . 64 TYR N . 51508 1 241 . 1 . 1 85 85 GLY H H 1 7.965 . . . . . . . . 65 GLY H . 51508 1 242 . 1 . 1 85 85 GLY CA C 13 47.795 . . . . . . . . 65 GLY CA . 51508 1 243 . 1 . 1 85 85 GLY N N 15 106.757 . . . . . . . . 65 GLY N . 51508 1 244 . 1 . 1 86 86 ALA H H 1 7.691 . . . . . . . . 66 ALA H . 51508 1 245 . 1 . 1 86 86 ALA CA C 13 55.535 . . . . . . . . 66 ALA CA . 51508 1 246 . 1 . 1 86 86 ALA CB C 13 18.175 . . . . . . . . 66 ALA CB . 51508 1 247 . 1 . 1 86 86 ALA N N 15 124.228 . . . . . . . . 66 ALA N . 51508 1 248 . 1 . 1 87 87 GLU H H 1 7.757 . . . . . . . . 67 GLU H . 51508 1 249 . 1 . 1 87 87 GLU CA C 13 59.419 . . . . . . . . 67 GLU CA . 51508 1 250 . 1 . 1 87 87 GLU CB C 13 29.678 . . . . . . . . 67 GLU CB . 51508 1 251 . 1 . 1 87 87 GLU N N 15 121.366 . . . . . . . . 67 GLU N . 51508 1 252 . 1 . 1 88 88 LEU H H 1 8.91 . . . . . . . . 68 LEU H . 51508 1 253 . 1 . 1 88 88 LEU CA C 13 57.818 . . . . . . . . 68 LEU CA . 51508 1 254 . 1 . 1 88 88 LEU CB C 13 41.979 . . . . . . . . 68 LEU CB . 51508 1 255 . 1 . 1 88 88 LEU N N 15 120.766 . . . . . . . . 68 LEU N . 51508 1 256 . 1 . 1 89 89 THR H H 1 7.488 . . . . . . . . 69 THR H . 51508 1 257 . 1 . 1 89 89 THR CA C 13 67.776 . . . . . . . . 69 THR CA . 51508 1 258 . 1 . 1 89 89 THR CB C 13 67.776 . . . . . . . . 69 THR CB . 51508 1 259 . 1 . 1 89 89 THR N N 15 114.396 . . . . . . . . 69 THR N . 51508 1 260 . 1 . 1 90 90 ALA H H 1 8.076 . . . . . . . . 70 ALA H . 51508 1 261 . 1 . 1 90 90 ALA CA C 13 55.904 . . . . . . . . 70 ALA CA . 51508 1 262 . 1 . 1 90 90 ALA CB C 13 17.81 . . . . . . . . 70 ALA CB . 51508 1 263 . 1 . 1 90 90 ALA N N 15 122.194 . . . . . . . . 70 ALA N . 51508 1 264 . 1 . 1 91 91 ASN H H 1 8.347 . . . . . . . . 71 ASN H . 51508 1 265 . 1 . 1 91 91 ASN CA C 13 56.007 . . . . . . . . 71 ASN CA . 51508 1 266 . 1 . 1 91 91 ASN CB C 13 37.561 . . . . . . . . 71 ASN CB . 51508 1 267 . 1 . 1 91 91 ASN N N 15 117.615 . . . . . . . . 71 ASN N . 51508 1 268 . 1 . 1 92 92 VAL H H 1 8.398 . . . . . . . . 72 VAL H . 51508 1 269 . 1 . 1 92 92 VAL CA C 13 67.217 . . . . . . . . 72 VAL CA . 51508 1 270 . 1 . 1 92 92 VAL CB C 13 30.918 . . . . . . . . 72 VAL CB . 51508 1 271 . 1 . 1 92 92 VAL N N 15 121.861 . . . . . . . . 72 VAL N . 51508 1 272 . 1 . 1 93 93 LEU H H 1 8.356 . . . . . . . . 73 LEU H . 51508 1 273 . 1 . 1 93 93 LEU CA C 13 58.099 . . . . . . . . 73 LEU CA . 51508 1 274 . 1 . 1 93 93 LEU CB C 13 41.045 . . . . . . . . 73 LEU CB . 51508 1 275 . 1 . 1 93 93 LEU N N 15 118.554 . . . . . . . . 73 LEU N . 51508 1 276 . 1 . 1 94 94 ARG H H 1 8.446 . . . . . . . . 74 ARG H . 51508 1 277 . 1 . 1 94 94 ARG CA C 13 60.802 . . . . . . . . 74 ARG CA . 51508 1 278 . 1 . 1 94 94 ARG CB C 13 28.655 . . . . . . . . 74 ARG CB . 51508 1 279 . 1 . 1 94 94 ARG N N 15 119.138 . . . . . . . . 74 ARG N . 51508 1 280 . 1 . 1 95 95 ASP H H 1 8.026 . . . . . . . . 75 ASP H . 51508 1 281 . 1 . 1 95 95 ASP CA C 13 56.642 . . . . . . . . 75 ASP CA . 51508 1 282 . 1 . 1 95 95 ASP CB C 13 40.445 . . . . . . . . 75 ASP CB . 51508 1 283 . 1 . 1 95 95 ASP N N 15 122.202 . . . . . . . . 75 ASP N . 51508 1 284 . 1 . 1 96 96 MET H H 1 7.869 . . . . . . . . 76 MET H . 51508 1 285 . 1 . 1 96 96 MET CA C 13 56.725 . . . . . . . . 76 MET CA . 51508 1 286 . 1 . 1 96 96 MET CB C 13 34.891 . . . . . . . . 76 MET CB . 51508 1 287 . 1 . 1 96 96 MET N N 15 116.396 . . . . . . . . 76 MET N . 51508 1 288 . 1 . 1 97 97 GLY H H 1 7.943 . . . . . . . . 77 GLY H . 51508 1 289 . 1 . 1 97 97 GLY CA C 13 44.673 . . . . . . . . 77 GLY CA . 51508 1 290 . 1 . 1 97 97 GLY N N 15 107.353 . . . . . . . . 77 GLY N . 51508 1 291 . 1 . 1 98 98 LEU H H 1 8.055 . . . . . . . . 78 LEU H . 51508 1 292 . 1 . 1 98 98 LEU CA C 13 52.748 . . . . . . . . 78 LEU CA . 51508 1 293 . 1 . 1 98 98 LEU CB C 13 38.774 . . . . . . . . 78 LEU CB . 51508 1 294 . 1 . 1 98 98 LEU N N 15 124.775 . . . . . . . . 78 LEU N . 51508 1 295 . 1 . 1 99 99 GLN H H 1 7.833 . . . . . . . . 79 GLN H . 51508 1 296 . 1 . 1 99 99 GLN CA C 13 59.746 . . . . . . . . 79 GLN CA . 51508 1 297 . 1 . 1 99 99 GLN CB C 13 27.83 . . . . . . . . 79 GLN CB . 51508 1 298 . 1 . 1 99 99 GLN N N 15 118.785 . . . . . . . . 79 GLN N . 51508 1 299 . 1 . 1 100 100 GLU H H 1 8.809 . . . . . . . . 80 GLU H . 51508 1 300 . 1 . 1 100 100 GLU CA C 13 59.532 . . . . . . . . 80 GLU CA . 51508 1 301 . 1 . 1 100 100 GLU CB C 13 27.783 . . . . . . . . 80 GLU CB . 51508 1 302 . 1 . 1 100 100 GLU N N 15 121.314 . . . . . . . . 80 GLU N . 51508 1 303 . 1 . 1 101 101 MET H H 1 8.054 . . . . . . . . 81 MET H . 51508 1 304 . 1 . 1 101 101 MET CA C 13 59.026 . . . . . . . . 81 MET CA . 51508 1 305 . 1 . 1 101 101 MET CB C 13 33.36 . . . . . . . . 81 MET CB . 51508 1 306 . 1 . 1 101 101 MET N N 15 119.892 . . . . . . . . 81 MET N . 51508 1 307 . 1 . 1 102 102 ALA H H 1 8.038 . . . . . . . . 82 ALA H . 51508 1 308 . 1 . 1 102 102 ALA CA C 13 55.356 . . . . . . . . 82 ALA CA . 51508 1 309 . 1 . 1 102 102 ALA CB C 13 19.133 . . . . . . . . 82 ALA CB . 51508 1 310 . 1 . 1 102 102 ALA N N 15 121.665 . . . . . . . . 82 ALA N . 51508 1 311 . 1 . 1 103 103 GLY H H 1 8.28 . . . . . . . . 83 GLY H . 51508 1 312 . 1 . 1 103 103 GLY CA C 13 46.889 . . . . . . . . 83 GLY CA . 51508 1 313 . 1 . 1 103 103 GLY N N 15 105.003 . . . . . . . . 83 GLY N . 51508 1 314 . 1 . 1 104 104 GLN H H 1 7.93 . . . . . . . . 84 GLN H . 51508 1 315 . 1 . 1 104 104 GLN CA C 13 58.401 . . . . . . . . 84 GLN CA . 51508 1 316 . 1 . 1 104 104 GLN CB C 13 28.104 . . . . . . . . 84 GLN CB . 51508 1 317 . 1 . 1 104 104 GLN N N 15 122.342 . . . . . . . . 84 GLN N . 51508 1 318 . 1 . 1 105 105 LEU H H 1 7.682 . . . . . . . . 85 LEU H . 51508 1 319 . 1 . 1 105 105 LEU CA C 13 58.426 . . . . . . . . 85 LEU CA . 51508 1 320 . 1 . 1 105 105 LEU CB C 13 41.434 . . . . . . . . 85 LEU CB . 51508 1 321 . 1 . 1 105 105 LEU N N 15 122.56 . . . . . . . . 85 LEU N . 51508 1 322 . 1 . 1 106 106 GLN H H 1 8.284 . . . . . . . . 86 GLN H . 51508 1 323 . 1 . 1 106 106 GLN CA C 13 59.187 . . . . . . . . 86 GLN CA . 51508 1 324 . 1 . 1 106 106 GLN CB C 13 28.655 . . . . . . . . 86 GLN CB . 51508 1 325 . 1 . 1 106 106 GLN N N 15 119.092 . . . . . . . . 86 GLN N . 51508 1 326 . 1 . 1 107 107 ALA H H 1 8.038 . . . . . . . . 87 ALA H . 51508 1 327 . 1 . 1 107 107 ALA CA C 13 54.808 . . . . . . . . 87 ALA CA . 51508 1 328 . 1 . 1 107 107 ALA CB C 13 17.856 . . . . . . . . 87 ALA CB . 51508 1 329 . 1 . 1 107 107 ALA N N 15 121.665 . . . . . . . . 87 ALA N . 51508 1 330 . 1 . 1 108 108 ALA H H 1 7.835 . . . . . . . . 88 ALA H . 51508 1 331 . 1 . 1 108 108 ALA CA C 13 53.952 . . . . . . . . 88 ALA CA . 51508 1 332 . 1 . 1 108 108 ALA CB C 13 19.065 . . . . . . . . 88 ALA CB . 51508 1 333 . 1 . 1 108 108 ALA N N 15 119.252 . . . . . . . . 88 ALA N . 51508 1 334 . 1 . 1 109 109 THR H H 1 7.481 . . . . . . . . 89 THR H . 51508 1 335 . 1 . 1 109 109 THR CA C 13 62.262 . . . . . . . . 89 THR CA . 51508 1 336 . 1 . 1 109 109 THR CB C 13 69.482 . . . . . . . . 89 THR CB . 51508 1 337 . 1 . 1 109 109 THR N N 15 105.602 . . . . . . . . 89 THR N . 51508 1 338 . 1 . 1 110 110 HIS H H 1 7.668 . . . . . . . . 90 HIS H . 51508 1 339 . 1 . 1 110 110 HIS CA C 13 55.331 . . . . . . . . 90 HIS CA . 51508 1 340 . 1 . 1 110 110 HIS CB C 13 28.535 . . . . . . . . 90 HIS CB . 51508 1 341 . 1 . 1 110 110 HIS N N 15 118.73 . . . . . . . . 90 HIS N . 51508 1 342 . 1 . 1 111 111 GLN H H 1 8.351 . . . . . . . . 91 GLN H . 51508 1 343 . 1 . 1 111 111 GLN CA C 13 56.46 . . . . . . . . 91 GLN CA . 51508 1 344 . 1 . 1 111 111 GLN CB C 13 30.679 . . . . . . . . 91 GLN CB . 51508 1 345 . 1 . 1 111 111 GLN N N 15 120.855 . . . . . . . . 91 GLN N . 51508 1 346 . 1 . 1 112 112 GLY H H 1 8.403 . . . . . . . . 92 GLY H . 51508 1 347 . 1 . 1 112 112 GLY CA C 13 45.019 . . . . . . . . 92 GLY CA . 51508 1 348 . 1 . 1 112 112 GLY N N 15 110.244 . . . . . . . . 92 GLY N . 51508 1 349 . 1 . 1 113 113 LEU H H 1 8.175 . . . . . . . . 93 LEU H . 51508 1 350 . 1 . 1 113 113 LEU CA C 13 54.201 . . . . . . . . 93 LEU CA . 51508 1 351 . 1 . 1 113 113 LEU CB C 13 43.481 . . . . . . . . 93 LEU CB . 51508 1 352 . 1 . 1 113 113 LEU N N 15 120.933 . . . . . . . . 93 LEU N . 51508 1 353 . 1 . 1 114 114 HIS H H 1 9.453 . . . . . . . . 94 HIS H . 51508 1 354 . 1 . 1 114 114 HIS CA C 13 58.753 . . . . . . . . 94 HIS CA . 51508 1 355 . 1 . 1 114 114 HIS CB C 13 31.624 . . . . . . . . 94 HIS CB . 51508 1 356 . 1 . 1 114 114 HIS N N 15 126.073 . . . . . . . . 94 HIS N . 51508 1 357 . 1 . 1 115 115 PHE H H 1 8.281 . . . . . . . . 95 PHE H . 51508 1 358 . 1 . 1 115 115 PHE CA C 13 62.856 . . . . . . . . 95 PHE CA . 51508 1 359 . 1 . 1 115 115 PHE CB C 13 40.664 . . . . . . . . 95 PHE CB . 51508 1 360 . 1 . 1 115 115 PHE N N 15 130.295 . . . . . . . . 95 PHE N . 51508 1 361 . 1 . 1 116 116 ILE H H 1 11.305 . . . . . . . . 96 ILE H . 51508 1 362 . 1 . 1 116 116 ILE CA C 13 64.64 . . . . . . . . 96 ILE CA . 51508 1 363 . 1 . 1 116 116 ILE CB C 13 37.89 . . . . . . . . 96 ILE CB . 51508 1 364 . 1 . 1 116 116 ILE N N 15 115.582 . . . . . . . . 96 ILE N . 51508 1 365 . 1 . 1 117 117 ASP H H 1 7.202 . . . . . . . . 97 ASP H . 51508 1 366 . 1 . 1 117 117 ASP CA C 13 56.467 . . . . . . . . 97 ASP CA . 51508 1 367 . 1 . 1 117 117 ASP CB C 13 41.806 . . . . . . . . 97 ASP CB . 51508 1 368 . 1 . 1 117 117 ASP N N 15 117.693 . . . . . . . . 97 ASP N . 51508 1 369 . 1 . 1 118 118 GLN H H 1 8.23 . . . . . . . . 98 GLN H . 51508 1 370 . 1 . 1 118 118 GLN CA C 13 58.014 . . . . . . . . 98 GLN CA . 51508 1 371 . 1 . 1 118 118 GLN CB C 13 28.973 . . . . . . . . 98 GLN CB . 51508 1 372 . 1 . 1 118 118 GLN N N 15 119.919 . . . . . . . . 98 GLN N . 51508 1 373 . 1 . 1 119 119 HIS H H 1 7.134 . . . . . . . . 99 HIS H . 51508 1 374 . 1 . 1 119 119 HIS CA C 13 53.056 . . . . . . . . 99 HIS CA . 51508 1 375 . 1 . 1 119 119 HIS CB C 13 28.106 . . . . . . . . 99 HIS CB . 51508 1 376 . 1 . 1 119 119 HIS N N 15 110.594 . . . . . . . . 99 HIS N . 51508 1 377 . 1 . 1 120 120 ARG H H 1 6.514 . . . . . . . . 100 ARG H . 51508 1 378 . 1 . 1 120 120 ARG CA C 13 60.483 . . . . . . . . 100 ARG CA . 51508 1 379 . 1 . 1 120 120 ARG CB C 13 30.822 . . . . . . . . 100 ARG CB . 51508 1 380 . 1 . 1 120 120 ARG N N 15 121.581 . . . . . . . . 100 ARG N . 51508 1 381 . 1 . 1 121 121 ALA H H 1 8.187 . . . . . . . . 101 ALA H . 51508 1 382 . 1 . 1 121 121 ALA CA C 13 55.415 . . . . . . . . 101 ALA CA . 51508 1 383 . 1 . 1 121 121 ALA CB C 13 17.59 . . . . . . . . 101 ALA CB . 51508 1 384 . 1 . 1 121 121 ALA N N 15 118.432 . . . . . . . . 101 ALA N . 51508 1 385 . 1 . 1 122 122 ALA H H 1 7.866 . . . . . . . . 102 ALA H . 51508 1 386 . 1 . 1 122 122 ALA CA C 13 54.514 . . . . . . . . 102 ALA CA . 51508 1 387 . 1 . 1 122 122 ALA CB C 13 19.713 . . . . . . . . 102 ALA CB . 51508 1 388 . 1 . 1 122 122 ALA N N 15 121.161 . . . . . . . . 102 ALA N . 51508 1 389 . 1 . 1 123 123 LEU H H 1 8.125 . . . . . . . . 103 LEU H . 51508 1 390 . 1 . 1 123 123 LEU CA C 13 57.745 . . . . . . . . 103 LEU CA . 51508 1 391 . 1 . 1 123 123 LEU CB C 13 41.701 . . . . . . . . 103 LEU CB . 51508 1 392 . 1 . 1 123 123 LEU N N 15 116.777 . . . . . . . . 103 LEU N . 51508 1 393 . 1 . 1 124 124 ILE H H 1 8.089 . . . . . . . . 104 ILE H . 51508 1 394 . 1 . 1 124 124 ILE CA C 13 65.704 . . . . . . . . 104 ILE CA . 51508 1 395 . 1 . 1 124 124 ILE CB C 13 38.276 . . . . . . . . 104 ILE CB . 51508 1 396 . 1 . 1 124 124 ILE N N 15 118.253 . . . . . . . . 104 ILE N . 51508 1 397 . 1 . 1 125 125 ALA H H 1 7.125 . . . . . . . . 105 ALA H . 51508 1 398 . 1 . 1 125 125 ALA CA C 13 53.901 . . . . . . . . 105 ALA CA . 51508 1 399 . 1 . 1 125 125 ALA CB C 13 20.056 . . . . . . . . 105 ALA CB . 51508 1 400 . 1 . 1 125 125 ALA N N 15 115.138 . . . . . . . . 105 ALA N . 51508 1 401 . 1 . 1 126 126 ARG H H 1 7.86 . . . . . . . . 106 ARG H . 51508 1 402 . 1 . 1 126 126 ARG CA C 13 56.797 . . . . . . . . 106 ARG CA . 51508 1 403 . 1 . 1 126 126 ARG CB C 13 34.132 . . . . . . . . 106 ARG CB . 51508 1 404 . 1 . 1 126 126 ARG N N 15 112.028 . . . . . . . . 106 ARG N . 51508 1 405 . 1 . 1 127 127 VAL H H 1 7.769 . . . . . . . . 107 VAL H . 51508 1 406 . 1 . 1 127 127 VAL CA C 13 64.697 . . . . . . . . 107 VAL CA . 51508 1 407 . 1 . 1 127 127 VAL CB C 13 31.74 . . . . . . . . 107 VAL CB . 51508 1 408 . 1 . 1 127 127 VAL N N 15 121.13 . . . . . . . . 107 VAL N . 51508 1 409 . 1 . 1 128 128 THR H H 1 8.369 . . . . . . . . 108 THR H . 51508 1 410 . 1 . 1 128 128 THR CA C 13 60.224 . . . . . . . . 108 THR CA . 51508 1 411 . 1 . 1 128 128 THR CB C 13 70.452 . . . . . . . . 108 THR CB . 51508 1 412 . 1 . 1 128 128 THR N N 15 116.229 . . . . . . . . 108 THR N . 51508 1 413 . 1 . 1 129 129 ASN H H 1 8.093 . . . . . . . . 109 ASN H . 51508 1 414 . 1 . 1 129 129 ASN CA C 13 52.433 . . . . . . . . 109 ASN CA . 51508 1 415 . 1 . 1 129 129 ASN CB C 13 36.911 . . . . . . . . 109 ASN CB . 51508 1 416 . 1 . 1 129 129 ASN N N 15 119.482 . . . . . . . . 109 ASN N . 51508 1 417 . 1 . 1 130 130 VAL H H 1 8.027 . . . . . . . . 110 VAL H . 51508 1 418 . 1 . 1 130 130 VAL CA C 13 65.646 . . . . . . . . 110 VAL CA . 51508 1 419 . 1 . 1 130 130 VAL CB C 13 31.515 . . . . . . . . 110 VAL CB . 51508 1 420 . 1 . 1 130 130 VAL N N 15 119.014 . . . . . . . . 110 VAL N . 51508 1 421 . 1 . 1 131 131 GLU H H 1 8.651 . . . . . . . . 111 GLU H . 51508 1 422 . 1 . 1 131 131 GLU CA C 13 60.324 . . . . . . . . 111 GLU CA . 51508 1 423 . 1 . 1 131 131 GLU CB C 13 28.19 . . . . . . . . 111 GLU CB . 51508 1 424 . 1 . 1 131 131 GLU N N 15 119.366 . . . . . . . . 111 GLU N . 51508 1 425 . 1 . 1 132 132 TRP H H 1 7.612 . . . . . . . . 112 TRP H . 51508 1 426 . 1 . 1 132 132 TRP CA C 13 60.927 . . . . . . . . 112 TRP CA . 51508 1 427 . 1 . 1 132 132 TRP CB C 13 29.392 . . . . . . . . 112 TRP CB . 51508 1 428 . 1 . 1 132 132 TRP N N 15 118.263 . . . . . . . . 112 TRP N . 51508 1 429 . 1 . 1 133 133 LEU H H 1 7.326 . . . . . . . . 113 LEU H . 51508 1 430 . 1 . 1 133 133 LEU CA C 13 57.776 . . . . . . . . 113 LEU CA . 51508 1 431 . 1 . 1 133 133 LEU CB C 13 41.18 . . . . . . . . 113 LEU CB . 51508 1 432 . 1 . 1 133 133 LEU N N 15 116.116 . . . . . . . . 113 LEU N . 51508 1 433 . 1 . 1 134 134 LEU H H 1 8.166 . . . . . . . . 114 LEU H . 51508 1 434 . 1 . 1 134 134 LEU CA C 13 57.817 . . . . . . . . 114 LEU CA . 51508 1 435 . 1 . 1 134 134 LEU CB C 13 40.867 . . . . . . . . 114 LEU CB . 51508 1 436 . 1 . 1 134 134 LEU N N 15 115.699 . . . . . . . . 114 LEU N . 51508 1 437 . 1 . 1 135 135 ASP H H 1 8.165 . . . . . . . . 115 ASP H . 51508 1 438 . 1 . 1 135 135 ASP CA C 13 56.562 . . . . . . . . 115 ASP CA . 51508 1 439 . 1 . 1 135 135 ASP CB C 13 38.736 . . . . . . . . 115 ASP CB . 51508 1 440 . 1 . 1 135 135 ASP N N 15 117.798 . . . . . . . . 115 ASP N . 51508 1 441 . 1 . 1 136 136 ALA H H 1 7.602 . . . . . . . . 116 ALA H . 51508 1 442 . 1 . 1 136 136 ALA CA C 13 54.009 . . . . . . . . 116 ALA CA . 51508 1 443 . 1 . 1 136 136 ALA CB C 13 17.91 . . . . . . . . 116 ALA CB . 51508 1 444 . 1 . 1 136 136 ALA N N 15 121.658 . . . . . . . . 116 ALA N . 51508 1 445 . 1 . 1 137 137 LEU H H 1 7.427 . . . . . . . . 117 LEU H . 51508 1 446 . 1 . 1 137 137 LEU CA C 13 54.801 . . . . . . . . 117 LEU CA . 51508 1 447 . 1 . 1 137 137 LEU CB C 13 43.303 . . . . . . . . 117 LEU CB . 51508 1 448 . 1 . 1 137 137 LEU N N 15 114.23 . . . . . . . . 117 LEU N . 51508 1 449 . 1 . 1 138 138 TYR H H 1 8.006 . . . . . . . . 118 TYR H . 51508 1 450 . 1 . 1 138 138 TYR CA C 13 60.816 . . . . . . . . 118 TYR CA . 51508 1 451 . 1 . 1 138 138 TYR CB C 13 37.653 . . . . . . . . 118 TYR CB . 51508 1 452 . 1 . 1 138 138 TYR N N 15 126.432 . . . . . . . . 118 TYR N . 51508 1 453 . 1 . 1 139 139 GLY H H 1 8.404 . . . . . . . . 119 GLY H . 51508 1 454 . 1 . 1 139 139 GLY CA C 13 46.079 . . . . . . . . 119 GLY CA . 51508 1 455 . 1 . 1 139 139 GLY N N 15 120.059 . . . . . . . . 119 GLY N . 51508 1 456 . 1 . 1 140 140 LYS H H 1 7.478 . . . . . . . . 120 LYS H . 51508 1 457 . 1 . 1 140 140 LYS CA C 13 57.858 . . . . . . . . 120 LYS CA . 51508 1 458 . 1 . 1 140 140 LYS CB C 13 33.737 . . . . . . . . 120 LYS CB . 51508 1 459 . 1 . 1 140 140 LYS N N 15 120.131 . . . . . . . . 120 LYS N . 51508 1 460 . 1 . 1 141 141 VAL H H 1 7.485 . . . . . . . . 121 VAL H . 51508 1 461 . 1 . 1 141 141 VAL CA C 13 63.252 . . . . . . . . 121 VAL CA . 51508 1 462 . 1 . 1 141 141 VAL CB C 13 34.347 . . . . . . . . 121 VAL CB . 51508 1 463 . 1 . 1 141 141 VAL N N 15 112.717 . . . . . . . . 121 VAL N . 51508 1 464 . 1 . 1 142 142 LEU H H 1 7.216 . . . . . . . . 122 LEU H . 51508 1 465 . 1 . 1 142 142 LEU CA C 13 53.646 . . . . . . . . 122 LEU CA . 51508 1 466 . 1 . 1 142 142 LEU CB C 13 44.5 . . . . . . . . 122 LEU CB . 51508 1 467 . 1 . 1 142 142 LEU N N 15 117.325 . . . . . . . . 122 LEU N . 51508 1 468 . 1 . 1 143 143 THR H H 1 8.009 . . . . . . . . 123 THR H . 51508 1 469 . 1 . 1 143 143 THR CA C 13 60.117 . . . . . . . . 123 THR CA . 51508 1 470 . 1 . 1 143 143 THR CB C 13 70.59 . . . . . . . . 123 THR CB . 51508 1 471 . 1 . 1 143 143 THR N N 15 113.144 . . . . . . . . 123 THR N . 51508 1 472 . 1 . 1 144 144 ASP H H 1 8.897 . . . . . . . . 124 ASP H . 51508 1 473 . 1 . 1 144 144 ASP CA C 13 58.603 . . . . . . . . 124 ASP CA . 51508 1 474 . 1 . 1 144 144 ASP CB C 13 40.887 . . . . . . . . 124 ASP CB . 51508 1 475 . 1 . 1 144 144 ASP N N 15 120.509 . . . . . . . . 124 ASP N . 51508 1 476 . 1 . 1 145 145 GLU H H 1 8.616 . . . . . . . . 125 GLU H . 51508 1 477 . 1 . 1 145 145 GLU CA C 13 59.615 . . . . . . . . 125 GLU CA . 51508 1 478 . 1 . 1 145 145 GLU CB C 13 28.686 . . . . . . . . 125 GLU CB . 51508 1 479 . 1 . 1 145 145 GLU N N 15 117.364 . . . . . . . . 125 GLU N . 51508 1 480 . 1 . 1 146 146 GLN H H 1 7.361 . . . . . . . . 126 GLN H . 51508 1 481 . 1 . 1 146 146 GLN CA C 13 58.207 . . . . . . . . 126 GLN CA . 51508 1 482 . 1 . 1 146 146 GLN CB C 13 29.102 . . . . . . . . 126 GLN CB . 51508 1 483 . 1 . 1 146 146 GLN N N 15 119.79 . . . . . . . . 126 GLN N . 51508 1 484 . 1 . 1 147 147 TYR H H 1 8.585 . . . . . . . . 127 TYR H . 51508 1 485 . 1 . 1 147 147 TYR CA C 13 61.925 . . . . . . . . 127 TYR CA . 51508 1 486 . 1 . 1 147 147 TYR CB C 13 39.315 . . . . . . . . 127 TYR CB . 51508 1 487 . 1 . 1 147 147 TYR N N 15 119.461 . . . . . . . . 127 TYR N . 51508 1 488 . 1 . 1 148 148 GLN H H 1 8.571 . . . . . . . . 128 GLN H . 51508 1 489 . 1 . 1 148 148 GLN CA C 13 58.429 . . . . . . . . 128 GLN CA . 51508 1 490 . 1 . 1 148 148 GLN CB C 13 27.668 . . . . . . . . 128 GLN CB . 51508 1 491 . 1 . 1 148 148 GLN N N 15 115.775 . . . . . . . . 128 GLN N . 51508 1 492 . 1 . 1 149 149 ALA H H 1 7.866 . . . . . . . . 129 ALA H . 51508 1 493 . 1 . 1 149 149 ALA CA C 13 54.881 . . . . . . . . 129 ALA CA . 51508 1 494 . 1 . 1 149 149 ALA CB C 13 18.371 . . . . . . . . 129 ALA CB . 51508 1 495 . 1 . 1 149 149 ALA N N 15 121.161 . . . . . . . . 129 ALA N . 51508 1 496 . 1 . 1 150 150 VAL H H 1 7.965 . . . . . . . . 130 VAL H . 51508 1 497 . 1 . 1 150 150 VAL CA C 13 66.687 . . . . . . . . 130 VAL CA . 51508 1 498 . 1 . 1 150 150 VAL CB C 13 31.05 . . . . . . . . 130 VAL CB . 51508 1 499 . 1 . 1 150 150 VAL N N 15 116.575 . . . . . . . . 130 VAL N . 51508 1 500 . 1 . 1 151 151 ARG H H 1 7.814 . . . . . . . . 131 ARG H . 51508 1 501 . 1 . 1 151 151 ARG CA C 13 59.354 . . . . . . . . 131 ARG CA . 51508 1 502 . 1 . 1 151 151 ARG CB C 13 29.81 . . . . . . . . 131 ARG CB . 51508 1 503 . 1 . 1 151 151 ARG N N 15 117.528 . . . . . . . . 131 ARG N . 51508 1 504 . 1 . 1 152 152 ALA H H 1 7.158 . . . . . . . . 132 ALA H . 51508 1 505 . 1 . 1 152 152 ALA CA C 13 52.701 . . . . . . . . 132 ALA CA . 51508 1 506 . 1 . 1 152 152 ALA CB C 13 19.001 . . . . . . . . 132 ALA CB . 51508 1 507 . 1 . 1 152 152 ALA N N 15 116.469 . . . . . . . . 132 ALA N . 51508 1 508 . 1 . 1 153 153 GLU H H 1 7.463 . . . . . . . . 133 GLU H . 51508 1 509 . 1 . 1 153 153 GLU N N 15 119.515 . . . . . . . . 133 GLU N . 51508 1 510 . 1 . 1 155 155 THR H H 1 7.096 . . . . . . . . 135 THR H . 51508 1 511 . 1 . 1 155 155 THR CA C 13 58.384 . . . . . . . . 135 THR CA . 51508 1 512 . 1 . 1 155 155 THR CB C 13 73.086 . . . . . . . . 135 THR CB . 51508 1 513 . 1 . 1 155 155 THR N N 15 106.476 . . . . . . . . 135 THR N . 51508 1 514 . 1 . 1 156 156 ASN H H 1 9.53 . . . . . . . . 136 ASN H . 51508 1 515 . 1 . 1 156 156 ASN N N 15 120.788 . . . . . . . . 136 ASN N . 51508 1 516 . 1 . 1 158 158 SER H H 1 7.353 . . . . . . . . 138 SER H . 51508 1 517 . 1 . 1 158 158 SER CA C 13 62.442 . . . . . . . . 138 SER CA . 51508 1 518 . 1 . 1 158 158 SER CB C 13 62.442 . . . . . . . . 138 SER CB . 51508 1 519 . 1 . 1 158 158 SER N N 15 111.8 . . . . . . . . 138 SER N . 51508 1 520 . 1 . 1 159 159 LYS H H 1 8.717 . . . . . . . . 139 LYS H . 51508 1 521 . 1 . 1 159 159 LYS CA C 13 60.802 . . . . . . . . 139 LYS CA . 51508 1 522 . 1 . 1 159 159 LYS CB C 13 34.898 . . . . . . . . 139 LYS CB . 51508 1 523 . 1 . 1 159 159 LYS N N 15 125.318 . . . . . . . . 139 LYS N . 51508 1 524 . 1 . 1 160 160 MET H H 1 8.511 . . . . . . . . 140 MET H . 51508 1 525 . 1 . 1 160 160 MET CA C 13 55.395 . . . . . . . . 140 MET CA . 51508 1 526 . 1 . 1 160 160 MET CB C 13 30.688 . . . . . . . . 140 MET CB . 51508 1 527 . 1 . 1 160 160 MET N N 15 116.332 . . . . . . . . 140 MET N . 51508 1 528 . 1 . 1 161 161 ARG H H 1 8.785 . . . . . . . . 141 ARG H . 51508 1 529 . 1 . 1 161 161 ARG CA C 13 60.526 . . . . . . . . 141 ARG CA . 51508 1 530 . 1 . 1 161 161 ARG CB C 13 30.228 . . . . . . . . 141 ARG CB . 51508 1 531 . 1 . 1 161 161 ARG N N 15 120.664 . . . . . . . . 141 ARG N . 51508 1 532 . 1 . 1 162 162 LYS H H 1 7.679 . . . . . . . . 142 LYS H . 51508 1 533 . 1 . 1 162 162 LYS CA C 13 57.055 . . . . . . . . 142 LYS CA . 51508 1 534 . 1 . 1 162 162 LYS CB C 13 30.69 . . . . . . . . 142 LYS CB . 51508 1 535 . 1 . 1 162 162 LYS N N 15 120.172 . . . . . . . . 142 LYS N . 51508 1 536 . 1 . 1 163 163 LEU H H 1 8.586 . . . . . . . . 143 LEU H . 51508 1 537 . 1 . 1 163 163 LEU CA C 13 58.265 . . . . . . . . 143 LEU CA . 51508 1 538 . 1 . 1 163 163 LEU CB C 13 41.541 . . . . . . . . 143 LEU CB . 51508 1 539 . 1 . 1 163 163 LEU N N 15 123.004 . . . . . . . . 143 LEU N . 51508 1 540 . 1 . 1 164 164 PHE H H 1 8.445 . . . . . . . . 144 PHE H . 51508 1 541 . 1 . 1 164 164 PHE CA C 13 60.659 . . . . . . . . 144 PHE CA . 51508 1 542 . 1 . 1 164 164 PHE CB C 13 37.547 . . . . . . . . 144 PHE CB . 51508 1 543 . 1 . 1 164 164 PHE N N 15 114.066 . . . . . . . . 144 PHE N . 51508 1 544 . 1 . 1 165 165 SER H H 1 7.661 . . . . . . . . 145 SER H . 51508 1 545 . 1 . 1 165 165 SER CA C 13 60.915 . . . . . . . . 145 SER CA . 51508 1 546 . 1 . 1 165 165 SER CB C 13 62.397 . . . . . . . . 145 SER CB . 51508 1 547 . 1 . 1 165 165 SER N N 15 118.414 . . . . . . . . 145 SER N . 51508 1 548 . 1 . 1 166 166 PHE H H 1 7.156 . . . . . . . . 146 PHE H . 51508 1 549 . 1 . 1 166 166 PHE CA C 13 56.513 . . . . . . . . 146 PHE CA . 51508 1 550 . 1 . 1 166 166 PHE CB C 13 38.467 . . . . . . . . 146 PHE CB . 51508 1 551 . 1 . 1 166 166 PHE N N 15 119.607 . . . . . . . . 146 PHE N . 51508 1 552 . 1 . 1 167 167 THR H H 1 6.84 . . . . . . . . 147 THR H . 51508 1 553 . 1 . 1 167 167 THR N N 15 110.187 . . . . . . . . 147 THR N . 51508 1 554 . 1 . 1 169 169 ALA H H 1 7.125 . . . . . . . . 149 ALA H . 51508 1 555 . 1 . 1 169 169 ALA CA C 13 51.59 . . . . . . . . 149 ALA CA . 51508 1 556 . 1 . 1 169 169 ALA CB C 13 19.357 . . . . . . . . 149 ALA CB . 51508 1 557 . 1 . 1 169 169 ALA N N 15 115.138 . . . . . . . . 149 ALA N . 51508 1 558 . 1 . 1 170 170 TRP H H 1 8.127 . . . . . . . . 150 TRP H . 51508 1 559 . 1 . 1 170 170 TRP CA C 13 55.458 . . . . . . . . 150 TRP CA . 51508 1 560 . 1 . 1 170 170 TRP CB C 13 30.772 . . . . . . . . 150 TRP CB . 51508 1 561 . 1 . 1 170 170 TRP N N 15 120.626 . . . . . . . . 150 TRP N . 51508 1 562 . 1 . 1 171 171 ASN H H 1 8.08 . . . . . . . . 151 ASN H . 51508 1 563 . 1 . 1 171 171 ASN CA C 13 51.115 . . . . . . . . 151 ASN CA . 51508 1 564 . 1 . 1 171 171 ASN CB C 13 38.637 . . . . . . . . 151 ASN CB . 51508 1 565 . 1 . 1 171 171 ASN N N 15 118.851 . . . . . . . . 151 ASN N . 51508 1 566 . 1 . 1 172 172 TRP H H 1 8.785 . . . . . . . . 152 TRP H . 51508 1 567 . 1 . 1 172 172 TRP CA C 13 61.594 . . . . . . . . 152 TRP CA . 51508 1 568 . 1 . 1 172 172 TRP CB C 13 28.999 . . . . . . . . 152 TRP CB . 51508 1 569 . 1 . 1 172 172 TRP N N 15 120.664 . . . . . . . . 152 TRP N . 51508 1 570 . 1 . 1 173 173 THR H H 1 7.866 . . . . . . . . 153 THR H . 51508 1 571 . 1 . 1 173 173 THR CA C 13 66.492 . . . . . . . . 153 THR CA . 51508 1 572 . 1 . 1 173 173 THR CB C 13 68.621 . . . . . . . . 153 THR CB . 51508 1 573 . 1 . 1 173 173 THR N N 15 113.123 . . . . . . . . 153 THR N . 51508 1 574 . 1 . 1 174 174 CYS H H 1 7.989 . . . . . . . . 154 CYS H . 51508 1 575 . 1 . 1 174 174 CYS CA C 13 63.729 . . . . . . . . 154 CYS CA . 51508 1 576 . 1 . 1 174 174 CYS CB C 13 26.577 . . . . . . . . 154 CYS CB . 51508 1 577 . 1 . 1 174 174 CYS N N 15 119.649 . . . . . . . . 154 CYS N . 51508 1 578 . 1 . 1 175 175 LYS H H 1 7.529 . . . . . . . . 155 LYS H . 51508 1 579 . 1 . 1 175 175 LYS CA C 13 61.206 . . . . . . . . 155 LYS CA . 51508 1 580 . 1 . 1 175 175 LYS CB C 13 28.974 . . . . . . . . 155 LYS CB . 51508 1 581 . 1 . 1 175 175 LYS N N 15 118.615 . . . . . . . . 155 LYS N . 51508 1 582 . 1 . 1 176 176 ASP H H 1 8.537 . . . . . . . . 156 ASP H . 51508 1 583 . 1 . 1 176 176 ASP CA C 13 57.167 . . . . . . . . 156 ASP CA . 51508 1 584 . 1 . 1 176 176 ASP CB C 13 39.663 . . . . . . . . 156 ASP CB . 51508 1 585 . 1 . 1 176 176 ASP N N 15 120.081 . . . . . . . . 156 ASP N . 51508 1 586 . 1 . 1 177 177 LEU H H 1 7.837 . . . . . . . . 157 LEU H . 51508 1 587 . 1 . 1 177 177 LEU CA C 13 58.085 . . . . . . . . 157 LEU CA . 51508 1 588 . 1 . 1 177 177 LEU CB C 13 41.04 . . . . . . . . 157 LEU CB . 51508 1 589 . 1 . 1 177 177 LEU N N 15 123.13 . . . . . . . . 157 LEU N . 51508 1 590 . 1 . 1 178 178 LEU H H 1 7.441 . . . . . . . . 158 LEU H . 51508 1 591 . 1 . 1 178 178 LEU CA C 13 58.394 . . . . . . . . 158 LEU CA . 51508 1 592 . 1 . 1 178 178 LEU CB C 13 40.58 . . . . . . . . 158 LEU CB . 51508 1 593 . 1 . 1 178 178 LEU N N 15 120.635 . . . . . . . . 158 LEU N . 51508 1 594 . 1 . 1 179 179 LEU H H 1 8.205 . . . . . . . . 159 LEU H . 51508 1 595 . 1 . 1 179 179 LEU CA C 13 58.208 . . . . . . . . 159 LEU CA . 51508 1 596 . 1 . 1 179 179 LEU CB C 13 42.571 . . . . . . . . 159 LEU CB . 51508 1 597 . 1 . 1 179 179 LEU N N 15 120.485 . . . . . . . . 159 LEU N . 51508 1 598 . 1 . 1 180 180 GLN H H 1 8.674 . . . . . . . . 160 GLN H . 51508 1 599 . 1 . 1 180 180 GLN CA C 13 58.89 . . . . . . . . 160 GLN CA . 51508 1 600 . 1 . 1 180 180 GLN CB C 13 27.822 . . . . . . . . 160 GLN CB . 51508 1 601 . 1 . 1 180 180 GLN N N 15 119.51 . . . . . . . . 160 GLN N . 51508 1 602 . 1 . 1 181 181 ALA H H 1 7.811 . . . . . . . . 161 ALA H . 51508 1 603 . 1 . 1 181 181 ALA CA C 13 54.989 . . . . . . . . 161 ALA CA . 51508 1 604 . 1 . 1 181 181 ALA CB C 13 17.924 . . . . . . . . 161 ALA CB . 51508 1 605 . 1 . 1 181 181 ALA N N 15 121.456 . . . . . . . . 161 ALA N . 51508 1 606 . 1 . 1 182 182 LEU H H 1 8.465 . . . . . . . . 162 LEU H . 51508 1 607 . 1 . 1 182 182 LEU CA C 13 57.964 . . . . . . . . 162 LEU CA . 51508 1 608 . 1 . 1 182 182 LEU CB C 13 42.119 . . . . . . . . 162 LEU CB . 51508 1 609 . 1 . 1 182 182 LEU N N 15 121.314 . . . . . . . . 162 LEU N . 51508 1 610 . 1 . 1 183 183 ARG H H 1 8.514 . . . . . . . . 163 ARG H . 51508 1 611 . 1 . 1 183 183 ARG CA C 13 60.25 . . . . . . . . 163 ARG CA . 51508 1 612 . 1 . 1 183 183 ARG CB C 13 29.689 . . . . . . . . 163 ARG CB . 51508 1 613 . 1 . 1 183 183 ARG N N 15 119.497 . . . . . . . . 163 ARG N . 51508 1 614 . 1 . 1 184 184 GLU H H 1 7.756 . . . . . . . . 164 GLU H . 51508 1 615 . 1 . 1 184 184 GLU CA C 13 57.998 . . . . . . . . 164 GLU CA . 51508 1 616 . 1 . 1 184 184 GLU CB C 13 29.538 . . . . . . . . 164 GLU CB . 51508 1 617 . 1 . 1 184 184 GLU N N 15 114.773 . . . . . . . . 164 GLU N . 51508 1 618 . 1 . 1 185 185 SER H H 1 7.461 . . . . . . . . 165 SER H . 51508 1 619 . 1 . 1 185 185 SER CA C 13 59.085 . . . . . . . . 165 SER CA . 51508 1 620 . 1 . 1 185 185 SER CB C 13 64.819 . . . . . . . . 165 SER CB . 51508 1 621 . 1 . 1 185 185 SER N N 15 110.242 . . . . . . . . 165 SER N . 51508 1 622 . 1 . 1 186 186 GLN H H 1 8.577 . . . . . . . . 166 GLN H . 51508 1 623 . 1 . 1 186 186 GLN CA C 13 55.064 . . . . . . . . 166 GLN CA . 51508 1 624 . 1 . 1 186 186 GLN CB C 13 28.787 . . . . . . . . 166 GLN CB . 51508 1 625 . 1 . 1 186 186 GLN N N 15 124.392 . . . . . . . . 166 GLN N . 51508 1 626 . 1 . 1 187 187 SER H H 1 8.442 . . . . . . . . 167 SER H . 51508 1 627 . 1 . 1 187 187 SER CA C 13 62.192 . . . . . . . . 167 SER CA . 51508 1 628 . 1 . 1 187 187 SER CB C 13 62.192 . . . . . . . . 167 SER CB . 51508 1 629 . 1 . 1 187 187 SER N N 15 118.174 . . . . . . . . 167 SER N . 51508 1 630 . 1 . 1 188 188 TYR H H 1 7.776 . . . . . . . . 168 TYR H . 51508 1 631 . 1 . 1 188 188 TYR CA C 13 59.592 . . . . . . . . 168 TYR CA . 51508 1 632 . 1 . 1 188 188 TYR CB C 13 36.744 . . . . . . . . 168 TYR CB . 51508 1 633 . 1 . 1 188 188 TYR N N 15 118.36 . . . . . . . . 168 TYR N . 51508 1 634 . 1 . 1 189 189 LEU H H 1 6.894 . . . . . . . . 169 LEU H . 51508 1 635 . 1 . 1 189 189 LEU CA C 13 57.209 . . . . . . . . 169 LEU CA . 51508 1 636 . 1 . 1 189 189 LEU CB C 13 41.393 . . . . . . . . 169 LEU CB . 51508 1 637 . 1 . 1 189 189 LEU N N 15 122.963 . . . . . . . . 169 LEU N . 51508 1 638 . 1 . 1 190 190 VAL H H 1 7.086 . . . . . . . . 170 VAL H . 51508 1 639 . 1 . 1 190 190 VAL CA C 13 67.461 . . . . . . . . 170 VAL CA . 51508 1 640 . 1 . 1 190 190 VAL CB C 13 31.25 . . . . . . . . 170 VAL CB . 51508 1 641 . 1 . 1 190 190 VAL N N 15 117.15 . . . . . . . . 170 VAL N . 51508 1 642 . 1 . 1 191 191 GLU H H 1 8.089 . . . . . . . . 171 GLU H . 51508 1 643 . 1 . 1 191 191 GLU CA C 13 58.967 . . . . . . . . 171 GLU CA . 51508 1 644 . 1 . 1 191 191 GLU CB C 13 28.591 . . . . . . . . 171 GLU CB . 51508 1 645 . 1 . 1 191 191 GLU N N 15 116.688 . . . . . . . . 171 GLU N . 51508 1 646 . 1 . 1 192 192 ASP H H 1 7.806 . . . . . . . . 172 ASP H . 51508 1 647 . 1 . 1 192 192 ASP CA C 13 56.884 . . . . . . . . 172 ASP CA . 51508 1 648 . 1 . 1 192 192 ASP CB C 13 41.27 . . . . . . . . 172 ASP CB . 51508 1 649 . 1 . 1 192 192 ASP N N 15 118.375 . . . . . . . . 172 ASP N . 51508 1 650 . 1 . 1 193 193 LEU H H 1 7.863 . . . . . . . . 173 LEU H . 51508 1 651 . 1 . 1 193 193 LEU CA C 13 56.558 . . . . . . . . 173 LEU CA . 51508 1 652 . 1 . 1 193 193 LEU CB C 13 41.701 . . . . . . . . 173 LEU CB . 51508 1 653 . 1 . 1 193 193 LEU N N 15 117.903 . . . . . . . . 173 LEU N . 51508 1 654 . 1 . 1 194 194 GLU H H 1 8.094 . . . . . . . . 174 GLU H . 51508 1 655 . 1 . 1 194 194 GLU CA C 13 57.75 . . . . . . . . 174 GLU CA . 51508 1 656 . 1 . 1 194 194 GLU CB C 13 29.411 . . . . . . . . 174 GLU CB . 51508 1 657 . 1 . 1 194 194 GLU N N 15 117.256 . . . . . . . . 174 GLU N . 51508 1 658 . 1 . 1 195 195 ARG H H 1 7.314 . . . . . . . . 175 ARG H . 51508 1 659 . 1 . 1 195 195 ARG CA C 13 56.562 . . . . . . . . 175 ARG CA . 51508 1 660 . 1 . 1 195 195 ARG CB C 13 30.531 . . . . . . . . 175 ARG CB . 51508 1 661 . 1 . 1 195 195 ARG N N 15 117.891 . . . . . . . . 175 ARG N . 51508 1 662 . 1 . 1 196 196 SER H H 1 7.625 . . . . . . . . 176 SER H . 51508 1 663 . 1 . 1 196 196 SER N N 15 121.21 . . . . . . . . 176 SER N . 51508 1 stop_ save_