data_19182 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19182 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for the catalytic domain of human Aprataxin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-04-19 _Entry.Accession_date 2013-04-19 _Entry.Last_release_date 2013-04-19 _Entry.Original_release_date 2013-04-19 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Peter Bellstedt . . . . 19182 2 Thomas Seiboth . . . . 19182 3 Matthias Goerlach . . . . 19182 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19182 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 334 19182 '15N chemical shifts' 150 19182 '1H chemical shifts' 150 19182 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 3 . . 2022-04-01 2013-04-19 update BMRB 'update Polymer_type' 19182 2 . . 2013-09-27 2013-04-19 update author 'update entry citation' 19182 1 . . 2013-05-17 2013-04-19 original author 'original release' 19182 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 19182 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 23943084 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Resonance assignment for a particularly challenging protein based on systematic unlabeling of amino acids to complement incomplete NMR data sets ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 57 _Citation.Journal_issue 1 _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 65 _Citation.Page_last 72 _Citation.Year 2013 _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 Peter Bellstedt . . . . 19182 1 2 Thomas Seiboth . . . . 19182 1 3 Sabine Haefner . . . . 19182 1 4 Henriette Kutscha . . . . 19182 1 5 Ramadurai Ramachandran . . . . 19182 1 6 Matthias Goerlach . . . . 19182 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19182 _Assembly.ID 1 _Assembly.Name Aprataxin _Assembly.BMRB_code . _Assembly.Number_of_components 3 _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 . _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 'Aprataxin, chain 1' 1 $Aprataxin A . yes native no no . . . 19182 1 2 'Aprataxin, chain 2' 1 $Aprataxin B . yes native no no . . . 19182 1 3 'zinc ion' 2 $entity_ZN A . no native no no . 'Bound to C2H2-type zinc finger' . 19182 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Aprataxin _Entity.Sf_category entity _Entity.Sf_framecode Aprataxin _Entity.Entry_ID 19182 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Aprataxin _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 ; GSHMLECSVPLKKGKDAPIK KESLGHWSQGLKISMQDPKM QVYKDEQVVVIKDKYPKARY HWLVLPWTSISSLKAVAREH LELLKHMHTVGEKVIVDFAG SSKLRFRLGYHAIPSMSHVH LHVISQDFDSPCLKNKKHWN SFNTEYFLESQAVIEMVQEA GRVTVRDGMPELLKLPLRCH ECQQLLPSIPQLKEHLRKHW TQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-6 are vector coded residues' _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 202 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not reported' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'Histidine triad (HIT) domain incl. C2H2-type zinc finger; residues 161-356 of full length form' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 23387 _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 UniProtKB Q7Z2E3-1 . APTX_HUMAN . . . . . . . . . . . . . . 19182 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Removal of adenylate intermediates from DNA' 19182 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 . 19182 1 2 2 SER . 19182 1 3 3 HIS . 19182 1 4 4 MET . 19182 1 5 5 LEU . 19182 1 6 6 GLU . 19182 1 7 7 CYS . 19182 1 8 8 SER . 19182 1 9 9 VAL . 19182 1 10 10 PRO . 19182 1 11 11 LEU . 19182 1 12 12 LYS . 19182 1 13 13 LYS . 19182 1 14 14 GLY . 19182 1 15 15 LYS . 19182 1 16 16 ASP . 19182 1 17 17 ALA . 19182 1 18 18 PRO . 19182 1 19 19 ILE . 19182 1 20 20 LYS . 19182 1 21 21 LYS . 19182 1 22 22 GLU . 19182 1 23 23 SER . 19182 1 24 24 LEU . 19182 1 25 25 GLY . 19182 1 26 26 HIS . 19182 1 27 27 TRP . 19182 1 28 28 SER . 19182 1 29 29 GLN . 19182 1 30 30 GLY . 19182 1 31 31 LEU . 19182 1 32 32 LYS . 19182 1 33 33 ILE . 19182 1 34 34 SER . 19182 1 35 35 MET . 19182 1 36 36 GLN . 19182 1 37 37 ASP . 19182 1 38 38 PRO . 19182 1 39 39 LYS . 19182 1 40 40 MET . 19182 1 41 41 GLN . 19182 1 42 42 VAL . 19182 1 43 43 TYR . 19182 1 44 44 LYS . 19182 1 45 45 ASP . 19182 1 46 46 GLU . 19182 1 47 47 GLN . 19182 1 48 48 VAL . 19182 1 49 49 VAL . 19182 1 50 50 VAL . 19182 1 51 51 ILE . 19182 1 52 52 LYS . 19182 1 53 53 ASP . 19182 1 54 54 LYS . 19182 1 55 55 TYR . 19182 1 56 56 PRO . 19182 1 57 57 LYS . 19182 1 58 58 ALA . 19182 1 59 59 ARG . 19182 1 60 60 TYR . 19182 1 61 61 HIS . 19182 1 62 62 TRP . 19182 1 63 63 LEU . 19182 1 64 64 VAL . 19182 1 65 65 LEU . 19182 1 66 66 PRO . 19182 1 67 67 TRP . 19182 1 68 68 THR . 19182 1 69 69 SER . 19182 1 70 70 ILE . 19182 1 71 71 SER . 19182 1 72 72 SER . 19182 1 73 73 LEU . 19182 1 74 74 LYS . 19182 1 75 75 ALA . 19182 1 76 76 VAL . 19182 1 77 77 ALA . 19182 1 78 78 ARG . 19182 1 79 79 GLU . 19182 1 80 80 HIS . 19182 1 81 81 LEU . 19182 1 82 82 GLU . 19182 1 83 83 LEU . 19182 1 84 84 LEU . 19182 1 85 85 LYS . 19182 1 86 86 HIS . 19182 1 87 87 MET . 19182 1 88 88 HIS . 19182 1 89 89 THR . 19182 1 90 90 VAL . 19182 1 91 91 GLY . 19182 1 92 92 GLU . 19182 1 93 93 LYS . 19182 1 94 94 VAL . 19182 1 95 95 ILE . 19182 1 96 96 VAL . 19182 1 97 97 ASP . 19182 1 98 98 PHE . 19182 1 99 99 ALA . 19182 1 100 100 GLY . 19182 1 101 101 SER . 19182 1 102 102 SER . 19182 1 103 103 LYS . 19182 1 104 104 LEU . 19182 1 105 105 ARG . 19182 1 106 106 PHE . 19182 1 107 107 ARG . 19182 1 108 108 LEU . 19182 1 109 109 GLY . 19182 1 110 110 TYR . 19182 1 111 111 HIS . 19182 1 112 112 ALA . 19182 1 113 113 ILE . 19182 1 114 114 PRO . 19182 1 115 115 SER . 19182 1 116 116 MET . 19182 1 117 117 SER . 19182 1 118 118 HIS . 19182 1 119 119 VAL . 19182 1 120 120 HIS . 19182 1 121 121 LEU . 19182 1 122 122 HIS . 19182 1 123 123 VAL . 19182 1 124 124 ILE . 19182 1 125 125 SER . 19182 1 126 126 GLN . 19182 1 127 127 ASP . 19182 1 128 128 PHE . 19182 1 129 129 ASP . 19182 1 130 130 SER . 19182 1 131 131 PRO . 19182 1 132 132 CYS . 19182 1 133 133 LEU . 19182 1 134 134 LYS . 19182 1 135 135 ASN . 19182 1 136 136 LYS . 19182 1 137 137 LYS . 19182 1 138 138 HIS . 19182 1 139 139 TRP . 19182 1 140 140 ASN . 19182 1 141 141 SER . 19182 1 142 142 PHE . 19182 1 143 143 ASN . 19182 1 144 144 THR . 19182 1 145 145 GLU . 19182 1 146 146 TYR . 19182 1 147 147 PHE . 19182 1 148 148 LEU . 19182 1 149 149 GLU . 19182 1 150 150 SER . 19182 1 151 151 GLN . 19182 1 152 152 ALA . 19182 1 153 153 VAL . 19182 1 154 154 ILE . 19182 1 155 155 GLU . 19182 1 156 156 MET . 19182 1 157 157 VAL . 19182 1 158 158 GLN . 19182 1 159 159 GLU . 19182 1 160 160 ALA . 19182 1 161 161 GLY . 19182 1 162 162 ARG . 19182 1 163 163 VAL . 19182 1 164 164 THR . 19182 1 165 165 VAL . 19182 1 166 166 ARG . 19182 1 167 167 ASP . 19182 1 168 168 GLY . 19182 1 169 169 MET . 19182 1 170 170 PRO . 19182 1 171 171 GLU . 19182 1 172 172 LEU . 19182 1 173 173 LEU . 19182 1 174 174 LYS . 19182 1 175 175 LEU . 19182 1 176 176 PRO . 19182 1 177 177 LEU . 19182 1 178 178 ARG . 19182 1 179 179 CYS . 19182 1 180 180 HIS . 19182 1 181 181 GLU . 19182 1 182 182 CYS . 19182 1 183 183 GLN . 19182 1 184 184 GLN . 19182 1 185 185 LEU . 19182 1 186 186 LEU . 19182 1 187 187 PRO . 19182 1 188 188 SER . 19182 1 189 189 ILE . 19182 1 190 190 PRO . 19182 1 191 191 GLN . 19182 1 192 192 LEU . 19182 1 193 193 LYS . 19182 1 194 194 GLU . 19182 1 195 195 HIS . 19182 1 196 196 LEU . 19182 1 197 197 ARG . 19182 1 198 198 LYS . 19182 1 199 199 HIS . 19182 1 200 200 TRP . 19182 1 201 201 THR . 19182 1 202 202 GLN . 19182 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 19182 1 . SER 2 2 19182 1 . HIS 3 3 19182 1 . MET 4 4 19182 1 . LEU 5 5 19182 1 . GLU 6 6 19182 1 . CYS 7 7 19182 1 . SER 8 8 19182 1 . VAL 9 9 19182 1 . PRO 10 10 19182 1 . LEU 11 11 19182 1 . LYS 12 12 19182 1 . LYS 13 13 19182 1 . GLY 14 14 19182 1 . LYS 15 15 19182 1 . ASP 16 16 19182 1 . ALA 17 17 19182 1 . PRO 18 18 19182 1 . ILE 19 19 19182 1 . LYS 20 20 19182 1 . LYS 21 21 19182 1 . GLU 22 22 19182 1 . SER 23 23 19182 1 . LEU 24 24 19182 1 . GLY 25 25 19182 1 . HIS 26 26 19182 1 . TRP 27 27 19182 1 . SER 28 28 19182 1 . GLN 29 29 19182 1 . GLY 30 30 19182 1 . LEU 31 31 19182 1 . LYS 32 32 19182 1 . ILE 33 33 19182 1 . SER 34 34 19182 1 . MET 35 35 19182 1 . GLN 36 36 19182 1 . ASP 37 37 19182 1 . PRO 38 38 19182 1 . LYS 39 39 19182 1 . MET 40 40 19182 1 . GLN 41 41 19182 1 . VAL 42 42 19182 1 . TYR 43 43 19182 1 . LYS 44 44 19182 1 . ASP 45 45 19182 1 . GLU 46 46 19182 1 . GLN 47 47 19182 1 . VAL 48 48 19182 1 . VAL 49 49 19182 1 . VAL 50 50 19182 1 . ILE 51 51 19182 1 . LYS 52 52 19182 1 . ASP 53 53 19182 1 . LYS 54 54 19182 1 . TYR 55 55 19182 1 . PRO 56 56 19182 1 . LYS 57 57 19182 1 . ALA 58 58 19182 1 . ARG 59 59 19182 1 . TYR 60 60 19182 1 . HIS 61 61 19182 1 . TRP 62 62 19182 1 . LEU 63 63 19182 1 . VAL 64 64 19182 1 . LEU 65 65 19182 1 . PRO 66 66 19182 1 . TRP 67 67 19182 1 . THR 68 68 19182 1 . SER 69 69 19182 1 . ILE 70 70 19182 1 . SER 71 71 19182 1 . SER 72 72 19182 1 . LEU 73 73 19182 1 . LYS 74 74 19182 1 . ALA 75 75 19182 1 . VAL 76 76 19182 1 . ALA 77 77 19182 1 . ARG 78 78 19182 1 . GLU 79 79 19182 1 . HIS 80 80 19182 1 . LEU 81 81 19182 1 . GLU 82 82 19182 1 . LEU 83 83 19182 1 . LEU 84 84 19182 1 . LYS 85 85 19182 1 . HIS 86 86 19182 1 . MET 87 87 19182 1 . HIS 88 88 19182 1 . THR 89 89 19182 1 . VAL 90 90 19182 1 . GLY 91 91 19182 1 . GLU 92 92 19182 1 . LYS 93 93 19182 1 . VAL 94 94 19182 1 . ILE 95 95 19182 1 . VAL 96 96 19182 1 . ASP 97 97 19182 1 . PHE 98 98 19182 1 . ALA 99 99 19182 1 . GLY 100 100 19182 1 . SER 101 101 19182 1 . SER 102 102 19182 1 . LYS 103 103 19182 1 . LEU 104 104 19182 1 . ARG 105 105 19182 1 . PHE 106 106 19182 1 . ARG 107 107 19182 1 . LEU 108 108 19182 1 . GLY 109 109 19182 1 . TYR 110 110 19182 1 . HIS 111 111 19182 1 . ALA 112 112 19182 1 . ILE 113 113 19182 1 . PRO 114 114 19182 1 . SER 115 115 19182 1 . MET 116 116 19182 1 . SER 117 117 19182 1 . HIS 118 118 19182 1 . VAL 119 119 19182 1 . HIS 120 120 19182 1 . LEU 121 121 19182 1 . HIS 122 122 19182 1 . VAL 123 123 19182 1 . ILE 124 124 19182 1 . SER 125 125 19182 1 . GLN 126 126 19182 1 . ASP 127 127 19182 1 . PHE 128 128 19182 1 . ASP 129 129 19182 1 . SER 130 130 19182 1 . PRO 131 131 19182 1 . CYS 132 132 19182 1 . LEU 133 133 19182 1 . LYS 134 134 19182 1 . ASN 135 135 19182 1 . LYS 136 136 19182 1 . LYS 137 137 19182 1 . HIS 138 138 19182 1 . TRP 139 139 19182 1 . ASN 140 140 19182 1 . SER 141 141 19182 1 . PHE 142 142 19182 1 . ASN 143 143 19182 1 . THR 144 144 19182 1 . GLU 145 145 19182 1 . TYR 146 146 19182 1 . PHE 147 147 19182 1 . LEU 148 148 19182 1 . GLU 149 149 19182 1 . SER 150 150 19182 1 . GLN 151 151 19182 1 . ALA 152 152 19182 1 . VAL 153 153 19182 1 . ILE 154 154 19182 1 . GLU 155 155 19182 1 . MET 156 156 19182 1 . VAL 157 157 19182 1 . GLN 158 158 19182 1 . GLU 159 159 19182 1 . ALA 160 160 19182 1 . GLY 161 161 19182 1 . ARG 162 162 19182 1 . VAL 163 163 19182 1 . THR 164 164 19182 1 . VAL 165 165 19182 1 . ARG 166 166 19182 1 . ASP 167 167 19182 1 . GLY 168 168 19182 1 . MET 169 169 19182 1 . PRO 170 170 19182 1 . GLU 171 171 19182 1 . LEU 172 172 19182 1 . LEU 173 173 19182 1 . LYS 174 174 19182 1 . LEU 175 175 19182 1 . PRO 176 176 19182 1 . LEU 177 177 19182 1 . ARG 178 178 19182 1 . CYS 179 179 19182 1 . HIS 180 180 19182 1 . GLU 181 181 19182 1 . CYS 182 182 19182 1 . GLN 183 183 19182 1 . GLN 184 184 19182 1 . LEU 185 185 19182 1 . LEU 186 186 19182 1 . PRO 187 187 19182 1 . SER 188 188 19182 1 . ILE 189 189 19182 1 . PRO 190 190 19182 1 . GLN 191 191 19182 1 . LEU 192 192 19182 1 . LYS 193 193 19182 1 . GLU 194 194 19182 1 . HIS 195 195 19182 1 . LEU 196 196 19182 1 . ARG 197 197 19182 1 . LYS 198 198 19182 1 . HIS 199 199 19182 1 . TRP 200 200 19182 1 . THR 201 201 19182 1 . GLN 202 202 19182 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 19182 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name 'ZINC ION' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 19182 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 19182 2 ZN 'Three letter code' 19182 2 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 ZN $chem_comp_ZN 19182 2 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 ZN ZN 19182 2 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 19182 _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 $Aprataxin . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . APTX . 19182 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 19182 _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 $Aprataxin . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . pET-15b . . . 19182 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 19182 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic no _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 19182 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 19182 ZN [Zn++] SMILES CACTVS 3.341 19182 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 19182 ZN [Zn+2] SMILES ACDLabs 10.04 19182 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 19182 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 19182 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 19182 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 19182 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN ZN ZN ZN . ZN . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 19182 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19182 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 4 _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 Aprataxin '[U-100% 13C; U-100% 15N]' . . 1 $Aprataxin . . 0.5 . 0.5 mM . . . . 19182 1 2 TRIS [U-2H] . . . . . . 10 . . mM . . . . 19182 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 19182 1 4 'sodium azide' 'natural abundance' . . . . . . 0.05 . . w/v . . . . 19182 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19182 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19182 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19182 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; Uniformly [15N,13C]-labeled protein was expressed in the presence of all 20 [14N,12C]-amino acids (one specific amino acid per sample). ; _Sample.Aggregate_sample_number 20 _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 Aprataxin '[U-13C; U-15N]; [U-14N; U12C]-specific amino acid' . . 1 $Aprataxin . . 0.38 . . mM . . . . 19182 2 2 TRIS [U-2H] . . . . . . 10 . . mM . . . . 19182 2 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 19182 2 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19182 2 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19182 2 stop_ save_ ####################### # Sample conditions # ####################### save_standard_condition _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode standard_condition _Sample_condition_list.Entry_ID 19182 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 160 . mM 19182 1 pH 7.5 . pH 19182 1 pressure 1 . atm 19182 1 temperature 273 . K 19182 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19182 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 2.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19182 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 19182 1 processing . 19182 1 stop_ save_ save_CcpNMR _Software.Sf_category software _Software.Sf_framecode CcpNMR _Software.Entry_ID 19182 _Software.ID 2 _Software.Type . _Software.Name CcpNMR _Software.Version 2.2.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 19182 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 19182 2 'data analysis' . 19182 2 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 19182 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 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 19182 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 . 750 . . . 19182 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 19182 _Experiment_list.ID 1 _Experiment_list.Details ; Each 3D experiment was carried out with a freshly prepared sample. Due to precipitation, protein concentration after data collection was below 0.1 mM. 20 different samples were used to identify amino acid types based on specific unlabeling of the repsective amino acid in otherwise fully labeled protein. ; loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $standard_condition . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 19182 1 2 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $standard_condition . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 19182 1 3 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $standard_condition . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 19182 1 4 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $standard_condition . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 19182 1 5 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $standard_condition . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 19182 1 6 '2D 1H-15N HSQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $standard_condition . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 19182 1 7 '2D HN(CO)' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $standard_condition . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 19182 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 19182 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 19182 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 19182 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 19182 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 19182 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $standard_condition _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 . _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' . . . 19182 1 2 '3D HNCO' . . . 19182 1 3 '3D HN(CA)CO' . . . 19182 1 4 '3D HNCA' . . . 19182 1 5 '3D HN(CO)CA' . . . 19182 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 8 8 SER C C 13 173.507 0.000 . 1 . . . . . 8 SER C . 19182 1 2 . 1 . 1 8 8 SER CA C 13 58.317 0.017 . 1 . . . . . 8 SER CA . 19182 1 3 . 1 . 1 9 9 VAL H H 1 7.957 0.035 . 1 . . . . . 9 VAL H . 19182 1 4 . 1 . 1 9 9 VAL C C 13 174.315 0.000 . 1 . . . . . 9 VAL C . 19182 1 5 . 1 . 1 9 9 VAL CA C 13 59.872 0.000 . 1 . . . . . 9 VAL CA . 19182 1 6 . 1 . 1 9 9 VAL N N 15 122.657 0.040 . 1 . . . . . 9 VAL N . 19182 1 7 . 1 . 1 10 10 PRO C C 13 176.594 0.000 . 1 . . . . . 10 PRO C . 19182 1 8 . 1 . 1 10 10 PRO CA C 13 63.009 0.000 . 1 . . . . . 10 PRO CA . 19182 1 9 . 1 . 1 11 11 LEU H H 1 8.236 0.019 . 1 . . . . . 11 LEU H . 19182 1 10 . 1 . 1 11 11 LEU C C 13 177.292 0.001 . 1 . . . . . 11 LEU C . 19182 1 11 . 1 . 1 11 11 LEU CA C 13 55.157 0.005 . 1 . . . . . 11 LEU CA . 19182 1 12 . 1 . 1 11 11 LEU N N 15 122.943 0.030 . 1 . . . . . 11 LEU N . 19182 1 13 . 1 . 1 12 12 LYS H H 1 8.250 0.027 . 1 . . . . . 12 LYS H . 19182 1 14 . 1 . 1 12 12 LYS C C 13 176.125 0.000 . 1 . . . . . 12 LYS C . 19182 1 15 . 1 . 1 12 12 LYS CA C 13 56.033 0.000 . 1 . . . . . 12 LYS CA . 19182 1 16 . 1 . 1 12 12 LYS N N 15 122.609 0.100 . 1 . . . . . 12 LYS N . 19182 1 17 . 1 . 1 15 15 LYS C C 13 176.324 0.000 . 1 . . . . . 15 LYS C . 19182 1 18 . 1 . 1 15 15 LYS CA C 13 56.580 0.000 . 1 . . . . . 15 LYS CA . 19182 1 19 . 1 . 1 16 16 ASP H H 1 8.333 0.002 . 1 . . . . . 16 ASP H . 19182 1 20 . 1 . 1 16 16 ASP C C 13 175.277 0.004 . 1 . . . . . 16 ASP C . 19182 1 21 . 1 . 1 16 16 ASP CA C 13 54.136 0.012 . 1 . . . . . 16 ASP CA . 19182 1 22 . 1 . 1 16 16 ASP N N 15 120.244 0.092 . 1 . . . . . 16 ASP N . 19182 1 23 . 1 . 1 17 17 ALA H H 1 7.952 0.034 . 1 . . . . . 17 ALA H . 19182 1 24 . 1 . 1 17 17 ALA C C 13 175.354 0.000 . 1 . . . . . 17 ALA C . 19182 1 25 . 1 . 1 17 17 ALA CA C 13 50.573 0.000 . 1 . . . . . 17 ALA CA . 19182 1 26 . 1 . 1 17 17 ALA N N 15 124.817 0.037 . 1 . . . . . 17 ALA N . 19182 1 27 . 1 . 1 18 18 PRO C C 13 176.777 0.000 . 1 . . . . . 18 PRO C . 19182 1 28 . 1 . 1 18 18 PRO CA C 13 63.068 0.000 . 1 . . . . . 18 PRO CA . 19182 1 29 . 1 . 1 19 19 ILE H H 1 8.083 0.026 . 1 . . . . . 19 ILE H . 19182 1 30 . 1 . 1 19 19 ILE C C 13 176.183 0.020 . 1 . . . . . 19 ILE C . 19182 1 31 . 1 . 1 19 19 ILE CA C 13 61.154 0.027 . 1 . . . . . 19 ILE CA . 19182 1 32 . 1 . 1 19 19 ILE N N 15 120.523 0.084 . 1 . . . . . 19 ILE N . 19182 1 33 . 1 . 1 20 20 LYS H H 1 8.281 0.008 . 1 . . . . . 20 LYS H . 19182 1 34 . 1 . 1 20 20 LYS C C 13 176.439 0.000 . 1 . . . . . 20 LYS C . 19182 1 35 . 1 . 1 20 20 LYS CA C 13 56.095 0.000 . 1 . . . . . 20 LYS CA . 19182 1 36 . 1 . 1 20 20 LYS N N 15 125.386 0.061 . 1 . . . . . 20 LYS N . 19182 1 37 . 1 . 1 31 31 LEU C C 13 177.788 0.000 . 1 . . . . . 31 LEU C . 19182 1 38 . 1 . 1 31 31 LEU CA C 13 57.603 0.143 . 1 . . . . . 31 LEU CA . 19182 1 39 . 1 . 1 32 32 LYS H H 1 7.941 0.015 . 1 . . . . . 32 LYS H . 19182 1 40 . 1 . 1 32 32 LYS C C 13 178.548 0.004 . 1 . . . . . 32 LYS C . 19182 1 41 . 1 . 1 32 32 LYS CA C 13 59.161 0.004 . 1 . . . . . 32 LYS CA . 19182 1 42 . 1 . 1 32 32 LYS N N 15 117.652 0.106 . 1 . . . . . 32 LYS N . 19182 1 43 . 1 . 1 33 33 ILE H H 1 7.546 0.019 . 1 . . . . . 33 ILE H . 19182 1 44 . 1 . 1 33 33 ILE C C 13 178.974 0.034 . 1 . . . . . 33 ILE C . 19182 1 45 . 1 . 1 33 33 ILE CA C 13 63.404 0.005 . 1 . . . . . 33 ILE CA . 19182 1 46 . 1 . 1 33 33 ILE N N 15 117.850 0.037 . 1 . . . . . 33 ILE N . 19182 1 47 . 1 . 1 34 34 SER H H 1 7.916 0.007 . 1 . . . . . 34 SER H . 19182 1 48 . 1 . 1 34 34 SER C C 13 175.183 0.002 . 1 . . . . . 34 SER C . 19182 1 49 . 1 . 1 34 34 SER CA C 13 62.076 0.007 . 1 . . . . . 34 SER CA . 19182 1 50 . 1 . 1 34 34 SER N N 15 117.560 0.030 . 1 . . . . . 34 SER N . 19182 1 51 . 1 . 1 35 35 MET H H 1 8.072 0.024 . 1 . . . . . 35 MET H . 19182 1 52 . 1 . 1 35 35 MET C C 13 175.508 0.010 . 1 . . . . . 35 MET C . 19182 1 53 . 1 . 1 35 35 MET CA C 13 58.460 0.149 . 1 . . . . . 35 MET CA . 19182 1 54 . 1 . 1 35 35 MET N N 15 116.523 0.048 . 1 . . . . . 35 MET N . 19182 1 55 . 1 . 1 36 36 GLN H H 1 7.197 0.021 . 1 . . . . . 36 GLN H . 19182 1 56 . 1 . 1 36 36 GLN C C 13 175.048 0.002 . 1 . . . . . 36 GLN C . 19182 1 57 . 1 . 1 36 36 GLN CA C 13 55.300 0.006 . 1 . . . . . 36 GLN CA . 19182 1 58 . 1 . 1 36 36 GLN N N 15 112.643 0.066 . 1 . . . . . 36 GLN N . 19182 1 59 . 1 . 1 37 37 ASP H H 1 7.448 0.042 . 1 . . . . . 37 ASP H . 19182 1 60 . 1 . 1 37 37 ASP C C 13 175.527 0.000 . 1 . . . . . 37 ASP C . 19182 1 61 . 1 . 1 37 37 ASP CA C 13 51.075 0.000 . 1 . . . . . 37 ASP CA . 19182 1 62 . 1 . 1 37 37 ASP N N 15 122.321 0.041 . 1 . . . . . 37 ASP N . 19182 1 63 . 1 . 1 38 38 PRO C C 13 179.007 0.000 . 1 . . . . . 38 PRO C . 19182 1 64 . 1 . 1 38 38 PRO CA C 13 64.613 0.000 . 1 . . . . . 38 PRO CA . 19182 1 65 . 1 . 1 39 39 LYS H H 1 8.280 0.033 . 1 . . . . . 39 LYS H . 19182 1 66 . 1 . 1 39 39 LYS C C 13 178.166 0.005 . 1 . . . . . 39 LYS C . 19182 1 67 . 1 . 1 39 39 LYS CA C 13 58.048 0.019 . 1 . . . . . 39 LYS CA . 19182 1 68 . 1 . 1 39 39 LYS N N 15 115.226 0.055 . 1 . . . . . 39 LYS N . 19182 1 69 . 1 . 1 40 40 MET H H 1 7.908 0.030 . 1 . . . . . 40 MET H . 19182 1 70 . 1 . 1 40 40 MET C C 13 176.603 0.006 . 1 . . . . . 40 MET C . 19182 1 71 . 1 . 1 40 40 MET CA C 13 54.208 0.006 . 1 . . . . . 40 MET CA . 19182 1 72 . 1 . 1 40 40 MET N N 15 115.193 0.042 . 1 . . . . . 40 MET N . 19182 1 73 . 1 . 1 41 41 GLN H H 1 7.057 0.033 . 1 . . . . . 41 GLN H . 19182 1 74 . 1 . 1 41 41 GLN C C 13 175.894 0.007 . 1 . . . . . 41 GLN C . 19182 1 75 . 1 . 1 41 41 GLN CA C 13 55.789 0.006 . 1 . . . . . 41 GLN CA . 19182 1 76 . 1 . 1 41 41 GLN N N 15 117.552 0.046 . 1 . . . . . 41 GLN N . 19182 1 77 . 1 . 1 42 42 VAL H H 1 8.950 0.034 . 1 . . . . . 42 VAL H . 19182 1 78 . 1 . 1 42 42 VAL C C 13 175.160 0.019 . 1 . . . . . 42 VAL C . 19182 1 79 . 1 . 1 42 42 VAL CA C 13 62.890 0.013 . 1 . . . . . 42 VAL CA . 19182 1 80 . 1 . 1 42 42 VAL N N 15 124.414 0.061 . 1 . . . . . 42 VAL N . 19182 1 81 . 1 . 1 43 43 TYR H H 1 7.385 0.033 . 1 . . . . . 43 TYR H . 19182 1 82 . 1 . 1 43 43 TYR C C 13 172.587 0.012 . 1 . . . . . 43 TYR C . 19182 1 83 . 1 . 1 43 43 TYR CA C 13 57.343 0.008 . 1 . . . . . 43 TYR CA . 19182 1 84 . 1 . 1 43 43 TYR N N 15 118.792 0.052 . 1 . . . . . 43 TYR N . 19182 1 85 . 1 . 1 44 44 LYS H H 1 7.428 0.039 . 1 . . . . . 44 LYS H . 19182 1 86 . 1 . 1 44 44 LYS C C 13 172.901 0.005 . 1 . . . . . 44 LYS C . 19182 1 87 . 1 . 1 44 44 LYS CA C 13 56.015 0.006 . 1 . . . . . 44 LYS CA . 19182 1 88 . 1 . 1 44 44 LYS N N 15 125.868 0.099 . 1 . . . . . 44 LYS N . 19182 1 89 . 1 . 1 45 45 ASP H H 1 9.294 0.030 . 1 . . . . . 45 ASP H . 19182 1 90 . 1 . 1 45 45 ASP C C 13 175.798 0.011 . 1 . . . . . 45 ASP C . 19182 1 91 . 1 . 1 45 45 ASP CA C 13 53.273 0.019 . 1 . . . . . 45 ASP CA . 19182 1 92 . 1 . 1 45 45 ASP N N 15 122.779 0.100 . 1 . . . . . 45 ASP N . 19182 1 93 . 1 . 1 46 46 GLU H H 1 8.916 0.032 . 1 . . . . . 46 GLU H . 19182 1 94 . 1 . 1 46 46 GLU C C 13 176.956 0.008 . 1 . . . . . 46 GLU C . 19182 1 95 . 1 . 1 46 46 GLU CA C 13 58.789 0.017 . 1 . . . . . 46 GLU CA . 19182 1 96 . 1 . 1 46 46 GLU N N 15 116.124 0.045 . 1 . . . . . 46 GLU N . 19182 1 97 . 1 . 1 47 47 GLN H H 1 9.555 0.026 . 1 . . . . . 47 GLN H . 19182 1 98 . 1 . 1 47 47 GLN C C 13 177.296 0.001 . 1 . . . . . 47 GLN C . 19182 1 99 . 1 . 1 47 47 GLN CA C 13 58.320 0.026 . 1 . . . . . 47 GLN CA . 19182 1 100 . 1 . 1 47 47 GLN N N 15 117.358 0.084 . 1 . . . . . 47 GLN N . 19182 1 101 . 1 . 1 48 48 VAL H H 1 8.937 0.029 . 1 . . . . . 48 VAL H . 19182 1 102 . 1 . 1 48 48 VAL C C 13 171.559 0.000 . 1 . . . . . 48 VAL C . 19182 1 103 . 1 . 1 48 48 VAL CA C 13 57.917 0.001 . 1 . . . . . 48 VAL CA . 19182 1 104 . 1 . 1 48 48 VAL N N 15 114.714 0.060 . 1 . . . . . 48 VAL N . 19182 1 105 . 1 . 1 49 49 VAL H H 1 8.563 0.029 . 1 . . . . . 49 VAL H . 19182 1 106 . 1 . 1 49 49 VAL C C 13 171.934 0.003 . 1 . . . . . 49 VAL C . 19182 1 107 . 1 . 1 49 49 VAL CA C 13 59.063 0.007 . 1 . . . . . 49 VAL CA . 19182 1 108 . 1 . 1 49 49 VAL N N 15 117.569 0.032 . 1 . . . . . 49 VAL N . 19182 1 109 . 1 . 1 50 50 VAL H H 1 8.679 0.033 . 1 . . . . . 50 VAL H . 19182 1 110 . 1 . 1 50 50 VAL C C 13 175.664 0.004 . 1 . . . . . 50 VAL C . 19182 1 111 . 1 . 1 50 50 VAL CA C 13 59.754 0.021 . 1 . . . . . 50 VAL CA . 19182 1 112 . 1 . 1 50 50 VAL N N 15 125.122 0.067 . 1 . . . . . 50 VAL N . 19182 1 113 . 1 . 1 51 51 ILE H H 1 8.766 0.012 . 1 . . . . . 51 ILE H . 19182 1 114 . 1 . 1 51 51 ILE C C 13 175.469 0.000 . 1 . . . . . 51 ILE C . 19182 1 115 . 1 . 1 51 51 ILE CA C 13 58.346 0.011 . 1 . . . . . 51 ILE CA . 19182 1 116 . 1 . 1 51 51 ILE N N 15 119.827 0.025 . 1 . . . . . 51 ILE N . 19182 1 117 . 1 . 1 52 52 LYS H H 1 8.834 0.028 . 1 . . . . . 52 LYS H . 19182 1 118 . 1 . 1 52 52 LYS C C 13 176.344 0.018 . 1 . . . . . 52 LYS C . 19182 1 119 . 1 . 1 52 52 LYS CA C 13 57.076 0.004 . 1 . . . . . 52 LYS CA . 19182 1 120 . 1 . 1 52 52 LYS N N 15 121.958 0.046 . 1 . . . . . 52 LYS N . 19182 1 121 . 1 . 1 53 53 ASP H H 1 7.670 0.035 . 1 . . . . . 53 ASP H . 19182 1 122 . 1 . 1 53 53 ASP C C 13 176.633 0.001 . 1 . . . . . 53 ASP C . 19182 1 123 . 1 . 1 53 53 ASP CA C 13 55.711 0.010 . 1 . . . . . 53 ASP CA . 19182 1 124 . 1 . 1 53 53 ASP N N 15 124.008 0.050 . 1 . . . . . 53 ASP N . 19182 1 125 . 1 . 1 54 54 LYS H H 1 7.307 0.011 . 1 . . . . . 54 LYS H . 19182 1 126 . 1 . 1 54 54 LYS C C 13 175.199 0.012 . 1 . . . . . 54 LYS C . 19182 1 127 . 1 . 1 54 54 LYS CA C 13 58.050 0.018 . 1 . . . . . 54 LYS CA . 19182 1 128 . 1 . 1 54 54 LYS N N 15 126.052 0.060 . 1 . . . . . 54 LYS N . 19182 1 129 . 1 . 1 55 55 TYR H H 1 8.908 0.029 . 1 . . . . . 55 TYR H . 19182 1 130 . 1 . 1 55 55 TYR C C 13 172.632 0.000 . 1 . . . . . 55 TYR C . 19182 1 131 . 1 . 1 55 55 TYR CA C 13 53.623 0.000 . 1 . . . . . 55 TYR CA . 19182 1 132 . 1 . 1 55 55 TYR N N 15 118.507 0.033 . 1 . . . . . 55 TYR N . 19182 1 133 . 1 . 1 56 56 PRO C C 13 178.901 0.000 . 1 . . . . . 56 PRO C . 19182 1 134 . 1 . 1 56 56 PRO CA C 13 62.109 0.032 . 1 . . . . . 56 PRO CA . 19182 1 135 . 1 . 1 57 57 LYS H H 1 11.559 0.002 . 1 . . . . . 57 LYS H . 19182 1 136 . 1 . 1 57 57 LYS C C 13 171.192 0.000 . 1 . . . . . 57 LYS C . 19182 1 137 . 1 . 1 57 57 LYS CA C 13 54.162 0.030 . 1 . . . . . 57 LYS CA . 19182 1 138 . 1 . 1 57 57 LYS N N 15 126.354 0.009 . 1 . . . . . 57 LYS N . 19182 1 139 . 1 . 1 58 58 ALA H H 1 7.103 0.034 . 1 . . . . . 58 ALA H . 19182 1 140 . 1 . 1 58 58 ALA C C 13 175.963 0.008 . 1 . . . . . 58 ALA C . 19182 1 141 . 1 . 1 58 58 ALA CA C 13 50.223 0.011 . 1 . . . . . 58 ALA CA . 19182 1 142 . 1 . 1 58 58 ALA N N 15 114.103 0.042 . 1 . . . . . 58 ALA N . 19182 1 143 . 1 . 1 59 59 ARG H H 1 9.744 0.034 . 1 . . . . . 59 ARG H . 19182 1 144 . 1 . 1 59 59 ARG C C 13 176.378 0.019 . 1 . . . . . 59 ARG C . 19182 1 145 . 1 . 1 59 59 ARG CA C 13 60.055 0.075 . 1 . . . . . 59 ARG CA . 19182 1 146 . 1 . 1 59 59 ARG N N 15 120.911 0.037 . 1 . . . . . 59 ARG N . 19182 1 147 . 1 . 1 60 60 TYR H H 1 7.980 0.034 . 1 . . . . . 60 TYR H . 19182 1 148 . 1 . 1 60 60 TYR C C 13 173.004 0.003 . 1 . . . . . 60 TYR C . 19182 1 149 . 1 . 1 60 60 TYR CA C 13 56.478 0.008 . 1 . . . . . 60 TYR CA . 19182 1 150 . 1 . 1 60 60 TYR N N 15 115.279 0.055 . 1 . . . . . 60 TYR N . 19182 1 151 . 1 . 1 61 61 HIS H H 1 7.711 0.030 . 1 . . . . . 61 HIS H . 19182 1 152 . 1 . 1 61 61 HIS C C 13 174.184 0.010 . 1 . . . . . 61 HIS C . 19182 1 153 . 1 . 1 61 61 HIS CA C 13 53.732 0.004 . 1 . . . . . 61 HIS CA . 19182 1 154 . 1 . 1 61 61 HIS N N 15 122.068 0.035 . 1 . . . . . 61 HIS N . 19182 1 155 . 1 . 1 62 62 TRP H H 1 9.663 0.055 . 1 . . . . . 62 TRP H . 19182 1 156 . 1 . 1 62 62 TRP C C 13 173.298 0.034 . 1 . . . . . 62 TRP C . 19182 1 157 . 1 . 1 62 62 TRP CA C 13 57.643 0.030 . 1 . . . . . 62 TRP CA . 19182 1 158 . 1 . 1 62 62 TRP N N 15 126.448 0.052 . 1 . . . . . 62 TRP N . 19182 1 159 . 1 . 1 63 63 LEU H H 1 9.253 0.027 . 1 . . . . . 63 LEU H . 19182 1 160 . 1 . 1 63 63 LEU C C 13 175.957 0.005 . 1 . . . . . 63 LEU C . 19182 1 161 . 1 . 1 63 63 LEU CA C 13 52.437 0.041 . 1 . . . . . 63 LEU CA . 19182 1 162 . 1 . 1 63 63 LEU N N 15 118.942 0.035 . 1 . . . . . 63 LEU N . 19182 1 163 . 1 . 1 64 64 VAL H H 1 9.488 0.026 . 1 . . . . . 64 VAL H . 19182 1 164 . 1 . 1 64 64 VAL C C 13 175.090 0.004 . 1 . . . . . 64 VAL C . 19182 1 165 . 1 . 1 64 64 VAL CA C 13 61.409 0.031 . 1 . . . . . 64 VAL CA . 19182 1 166 . 1 . 1 64 64 VAL N N 15 122.088 0.038 . 1 . . . . . 64 VAL N . 19182 1 167 . 1 . 1 65 65 LEU H H 1 9.245 0.041 . 1 . . . . . 65 LEU H . 19182 1 168 . 1 . 1 65 65 LEU CA C 13 52.020 0.047 . 1 . . . . . 65 LEU CA . 19182 1 169 . 1 . 1 65 65 LEU N N 15 126.807 0.088 . 1 . . . . . 65 LEU N . 19182 1 170 . 1 . 1 66 66 PRO C C 13 177.049 0.000 . 1 . . . . . 66 PRO C . 19182 1 171 . 1 . 1 66 66 PRO CA C 13 61.219 0.000 . 1 . . . . . 66 PRO CA . 19182 1 172 . 1 . 1 67 67 TRP H H 1 7.635 0.025 . 1 . . . . . 67 TRP H . 19182 1 173 . 1 . 1 67 67 TRP C C 13 178.618 0.011 . 1 . . . . . 67 TRP C . 19182 1 174 . 1 . 1 67 67 TRP CA C 13 59.488 0.004 . 1 . . . . . 67 TRP CA . 19182 1 175 . 1 . 1 67 67 TRP N N 15 120.422 0.029 . 1 . . . . . 67 TRP N . 19182 1 176 . 1 . 1 68 68 THR H H 1 8.174 0.005 . 1 . . . . . 68 THR H . 19182 1 177 . 1 . 1 68 68 THR C C 13 172.764 0.004 . 1 . . . . . 68 THR C . 19182 1 178 . 1 . 1 68 68 THR CA C 13 62.416 0.019 . 1 . . . . . 68 THR CA . 19182 1 179 . 1 . 1 68 68 THR N N 15 114.990 0.056 . 1 . . . . . 68 THR N . 19182 1 180 . 1 . 1 69 69 SER H H 1 8.241 0.020 . 1 . . . . . 69 SER H . 19182 1 181 . 1 . 1 69 69 SER C C 13 177.051 0.000 . 1 . . . . . 69 SER C . 19182 1 182 . 1 . 1 69 69 SER CA C 13 58.403 0.000 . 1 . . . . . 69 SER CA . 19182 1 183 . 1 . 1 69 69 SER N N 15 120.073 0.034 . 1 . . . . . 69 SER N . 19182 1 184 . 1 . 1 74 74 LYS C C 13 175.990 0.000 . 1 . . . . . 74 LYS C . 19182 1 185 . 1 . 1 74 74 LYS CA C 13 58.330 0.000 . 1 . . . . . 74 LYS CA . 19182 1 186 . 1 . 1 75 75 ALA H H 1 7.284 0.038 . 1 . . . . . 75 ALA H . 19182 1 187 . 1 . 1 75 75 ALA C C 13 176.896 0.014 . 1 . . . . . 75 ALA C . 19182 1 188 . 1 . 1 75 75 ALA CA C 13 51.334 0.010 . 1 . . . . . 75 ALA CA . 19182 1 189 . 1 . 1 75 75 ALA N N 15 119.859 0.026 . 1 . . . . . 75 ALA N . 19182 1 190 . 1 . 1 76 76 VAL H H 1 6.711 0.032 . 1 . . . . . 76 VAL H . 19182 1 191 . 1 . 1 76 76 VAL C C 13 174.979 0.017 . 1 . . . . . 76 VAL C . 19182 1 192 . 1 . 1 76 76 VAL CA C 13 62.842 0.043 . 1 . . . . . 76 VAL CA . 19182 1 193 . 1 . 1 76 76 VAL N N 15 118.799 0.045 . 1 . . . . . 76 VAL N . 19182 1 194 . 1 . 1 77 77 ALA H H 1 11.405 0.013 . 1 . . . . . 77 ALA H . 19182 1 195 . 1 . 1 77 77 ALA C C 13 177.722 0.007 . 1 . . . . . 77 ALA C . 19182 1 196 . 1 . 1 77 77 ALA CA C 13 50.446 0.016 . 1 . . . . . 77 ALA CA . 19182 1 197 . 1 . 1 77 77 ALA N N 15 137.494 0.054 . 1 . . . . . 77 ALA N . 19182 1 198 . 1 . 1 78 78 ARG H H 1 8.423 0.012 . 1 . . . . . 78 ARG H . 19182 1 199 . 1 . 1 78 78 ARG C C 13 178.998 0.001 . 1 . . . . . 78 ARG C . 19182 1 200 . 1 . 1 78 78 ARG CA C 13 60.513 0.049 . 1 . . . . . 78 ARG CA . 19182 1 201 . 1 . 1 78 78 ARG N N 15 119.907 0.030 . 1 . . . . . 78 ARG N . 19182 1 202 . 1 . 1 79 79 GLU H H 1 9.026 0.023 . 1 . . . . . 79 GLU H . 19182 1 203 . 1 . 1 79 79 GLU C C 13 176.832 0.010 . 1 . . . . . 79 GLU C . 19182 1 204 . 1 . 1 79 79 GLU CA C 13 58.391 0.005 . 1 . . . . . 79 GLU CA . 19182 1 205 . 1 . 1 79 79 GLU N N 15 117.232 0.032 . 1 . . . . . 79 GLU N . 19182 1 206 . 1 . 1 80 80 HIS H H 1 8.078 0.022 . 1 . . . . . 80 HIS H . 19182 1 207 . 1 . 1 80 80 HIS C C 13 175.391 0.004 . 1 . . . . . 80 HIS C . 19182 1 208 . 1 . 1 80 80 HIS CA C 13 57.678 0.005 . 1 . . . . . 80 HIS CA . 19182 1 209 . 1 . 1 80 80 HIS N N 15 119.320 0.047 . 1 . . . . . 80 HIS N . 19182 1 210 . 1 . 1 81 81 LEU H H 1 7.862 0.029 . 1 . . . . . 81 LEU H . 19182 1 211 . 1 . 1 81 81 LEU C C 13 177.590 0.005 . 1 . . . . . 81 LEU C . 19182 1 212 . 1 . 1 81 81 LEU CA C 13 59.492 0.004 . 1 . . . . . 81 LEU CA . 19182 1 213 . 1 . 1 81 81 LEU N N 15 121.432 0.027 . 1 . . . . . 81 LEU N . 19182 1 214 . 1 . 1 82 82 GLU H H 1 8.539 0.036 . 1 . . . . . 82 GLU H . 19182 1 215 . 1 . 1 82 82 GLU C C 13 179.482 0.001 . 1 . . . . . 82 GLU C . 19182 1 216 . 1 . 1 82 82 GLU CA C 13 59.966 0.002 . 1 . . . . . 82 GLU CA . 19182 1 217 . 1 . 1 82 82 GLU N N 15 116.212 0.045 . 1 . . . . . 82 GLU N . 19182 1 218 . 1 . 1 83 83 LEU H H 1 8.052 0.032 . 1 . . . . . 83 LEU H . 19182 1 219 . 1 . 1 83 83 LEU C C 13 178.254 0.024 . 1 . . . . . 83 LEU C . 19182 1 220 . 1 . 1 83 83 LEU CA C 13 58.106 0.013 . 1 . . . . . 83 LEU CA . 19182 1 221 . 1 . 1 83 83 LEU N N 15 124.172 0.043 . 1 . . . . . 83 LEU N . 19182 1 222 . 1 . 1 84 84 LEU H H 1 8.531 0.021 . 1 . . . . . 84 LEU H . 19182 1 223 . 1 . 1 84 84 LEU C C 13 181.983 0.019 . 1 . . . . . 84 LEU C . 19182 1 224 . 1 . 1 84 84 LEU CA C 13 58.491 0.021 . 1 . . . . . 84 LEU CA . 19182 1 225 . 1 . 1 84 84 LEU N N 15 119.890 0.027 . 1 . . . . . 84 LEU N . 19182 1 226 . 1 . 1 85 85 LYS H H 1 8.384 0.004 . 1 . . . . . 85 LYS H . 19182 1 227 . 1 . 1 85 85 LYS C C 13 178.703 0.004 . 1 . . . . . 85 LYS C . 19182 1 228 . 1 . 1 85 85 LYS CA C 13 60.300 0.022 . 1 . . . . . 85 LYS CA . 19182 1 229 . 1 . 1 85 85 LYS N N 15 119.958 0.063 . 1 . . . . . 85 LYS N . 19182 1 230 . 1 . 1 86 86 HIS H H 1 8.489 0.003 . 1 . . . . . 86 HIS H . 19182 1 231 . 1 . 1 86 86 HIS C C 13 177.296 0.011 . 1 . . . . . 86 HIS C . 19182 1 232 . 1 . 1 86 86 HIS CA C 13 60.199 0.001 . 1 . . . . . 86 HIS CA . 19182 1 233 . 1 . 1 86 86 HIS N N 15 122.718 0.056 . 1 . . . . . 86 HIS N . 19182 1 234 . 1 . 1 87 87 MET H H 1 9.070 0.028 . 1 . . . . . 87 MET H . 19182 1 235 . 1 . 1 87 87 MET C C 13 176.385 0.078 . 1 . . . . . 87 MET C . 19182 1 236 . 1 . 1 87 87 MET CA C 13 60.658 0.015 . 1 . . . . . 87 MET CA . 19182 1 237 . 1 . 1 87 87 MET N N 15 117.510 0.034 . 1 . . . . . 87 MET N . 19182 1 238 . 1 . 1 88 88 HIS H H 1 7.481 0.021 . 1 . . . . . 88 HIS H . 19182 1 239 . 1 . 1 88 88 HIS C C 13 176.278 0.028 . 1 . . . . . 88 HIS C . 19182 1 240 . 1 . 1 88 88 HIS CA C 13 60.666 0.000 . 1 . . . . . 88 HIS CA . 19182 1 241 . 1 . 1 88 88 HIS N N 15 117.722 0.043 . 1 . . . . . 88 HIS N . 19182 1 242 . 1 . 1 89 89 THR H H 1 8.182 0.002 . 1 . . . . . 89 THR H . 19182 1 243 . 1 . 1 89 89 THR C C 13 177.446 0.013 . 1 . . . . . 89 THR C . 19182 1 244 . 1 . 1 89 89 THR CA C 13 66.487 0.050 . 1 . . . . . 89 THR CA . 19182 1 245 . 1 . 1 89 89 THR N N 15 114.961 0.048 . 1 . . . . . 89 THR N . 19182 1 246 . 1 . 1 90 90 VAL H H 1 8.456 0.026 . 1 . . . . . 90 VAL H . 19182 1 247 . 1 . 1 90 90 VAL C C 13 177.177 0.011 . 1 . . . . . 90 VAL C . 19182 1 248 . 1 . 1 90 90 VAL CA C 13 66.539 0.000 . 1 . . . . . 90 VAL CA . 19182 1 249 . 1 . 1 90 90 VAL N N 15 123.237 0.045 . 1 . . . . . 90 VAL N . 19182 1 250 . 1 . 1 91 91 GLY H H 1 8.148 0.037 . 1 . . . . . 91 GLY H . 19182 1 251 . 1 . 1 91 91 GLY C C 13 173.750 0.000 . 1 . . . . . 91 GLY C . 19182 1 252 . 1 . 1 91 91 GLY CA C 13 48.003 0.014 . 1 . . . . . 91 GLY CA . 19182 1 253 . 1 . 1 91 91 GLY N N 15 108.323 0.094 . 1 . . . . . 91 GLY N . 19182 1 254 . 1 . 1 92 92 GLU H H 1 7.835 0.020 . 1 . . . . . 92 GLU H . 19182 1 255 . 1 . 1 92 92 GLU C C 13 178.857 0.016 . 1 . . . . . 92 GLU C . 19182 1 256 . 1 . 1 92 92 GLU CA C 13 59.751 0.009 . 1 . . . . . 92 GLU CA . 19182 1 257 . 1 . 1 92 92 GLU N N 15 117.138 0.056 . 1 . . . . . 92 GLU N . 19182 1 258 . 1 . 1 93 93 LYS H H 1 7.662 0.026 . 1 . . . . . 93 LYS H . 19182 1 259 . 1 . 1 93 93 LYS C C 13 177.476 0.001 . 1 . . . . . 93 LYS C . 19182 1 260 . 1 . 1 93 93 LYS CA C 13 58.760 0.028 . 1 . . . . . 93 LYS CA . 19182 1 261 . 1 . 1 93 93 LYS N N 15 121.879 0.034 . 1 . . . . . 93 LYS N . 19182 1 262 . 1 . 1 94 94 VAL H H 1 7.953 0.025 . 1 . . . . . 94 VAL H . 19182 1 263 . 1 . 1 94 94 VAL C C 13 177.155 0.004 . 1 . . . . . 94 VAL C . 19182 1 264 . 1 . 1 94 94 VAL CA C 13 65.991 0.012 . 1 . . . . . 94 VAL CA . 19182 1 265 . 1 . 1 94 94 VAL N N 15 118.547 0.047 . 1 . . . . . 94 VAL N . 19182 1 266 . 1 . 1 95 95 ILE H H 1 6.863 0.037 . 1 . . . . . 95 ILE H . 19182 1 267 . 1 . 1 95 95 ILE C C 13 178.032 0.013 . 1 . . . . . 95 ILE C . 19182 1 268 . 1 . 1 95 95 ILE CA C 13 65.854 0.005 . 1 . . . . . 95 ILE CA . 19182 1 269 . 1 . 1 95 95 ILE N N 15 118.549 0.041 . 1 . . . . . 95 ILE N . 19182 1 270 . 1 . 1 96 96 VAL H H 1 6.919 0.029 . 1 . . . . . 96 VAL H . 19182 1 271 . 1 . 1 96 96 VAL C C 13 178.517 0.031 . 1 . . . . . 96 VAL C . 19182 1 272 . 1 . 1 96 96 VAL CA C 13 66.120 0.006 . 1 . . . . . 96 VAL CA . 19182 1 273 . 1 . 1 96 96 VAL N N 15 117.827 0.033 . 1 . . . . . 96 VAL N . 19182 1 274 . 1 . 1 97 97 ASP H H 1 8.379 0.032 . 1 . . . . . 97 ASP H . 19182 1 275 . 1 . 1 97 97 ASP C C 13 178.596 0.000 . 1 . . . . . 97 ASP C . 19182 1 276 . 1 . 1 97 97 ASP CA C 13 56.783 0.005 . 1 . . . . . 97 ASP CA . 19182 1 277 . 1 . 1 97 97 ASP N N 15 119.137 0.043 . 1 . . . . . 97 ASP N . 19182 1 278 . 1 . 1 98 98 PHE H H 1 8.195 0.031 . 1 . . . . . 98 PHE H . 19182 1 279 . 1 . 1 98 98 PHE C C 13 176.323 0.019 . 1 . . . . . 98 PHE C . 19182 1 280 . 1 . 1 98 98 PHE CA C 13 59.050 0.038 . 1 . . . . . 98 PHE CA . 19182 1 281 . 1 . 1 98 98 PHE N N 15 114.491 0.043 . 1 . . . . . 98 PHE N . 19182 1 282 . 1 . 1 99 99 ALA H H 1 8.284 0.019 . 1 . . . . . 99 ALA H . 19182 1 283 . 1 . 1 99 99 ALA C C 13 179.294 0.012 . 1 . . . . . 99 ALA C . 19182 1 284 . 1 . 1 99 99 ALA CA C 13 51.877 0.151 . 1 . . . . . 99 ALA CA . 19182 1 285 . 1 . 1 99 99 ALA N N 15 123.328 0.041 . 1 . . . . . 99 ALA N . 19182 1 286 . 1 . 1 100 100 GLY H H 1 7.943 0.034 . 1 . . . . . 100 GLY H . 19182 1 287 . 1 . 1 100 100 GLY C C 13 175.278 0.000 . 1 . . . . . 100 GLY C . 19182 1 288 . 1 . 1 100 100 GLY CA C 13 47.585 0.012 . 1 . . . . . 100 GLY CA . 19182 1 289 . 1 . 1 100 100 GLY N N 15 109.599 0.055 . 1 . . . . . 100 GLY N . 19182 1 290 . 1 . 1 103 103 LYS C C 13 176.045 0.000 . 1 . . . . . 103 LYS C . 19182 1 291 . 1 . 1 103 103 LYS CA C 13 56.709 0.000 . 1 . . . . . 103 LYS CA . 19182 1 292 . 1 . 1 104 104 LEU H H 1 7.718 0.030 . 1 . . . . . 104 LEU H . 19182 1 293 . 1 . 1 104 104 LEU C C 13 176.107 0.002 . 1 . . . . . 104 LEU C . 19182 1 294 . 1 . 1 104 104 LEU CA C 13 54.319 0.012 . 1 . . . . . 104 LEU CA . 19182 1 295 . 1 . 1 104 104 LEU N N 15 120.447 0.029 . 1 . . . . . 104 LEU N . 19182 1 296 . 1 . 1 105 105 ARG H H 1 8.077 0.008 . 1 . . . . . 105 ARG H . 19182 1 297 . 1 . 1 105 105 ARG C C 13 174.533 0.002 . 1 . . . . . 105 ARG C . 19182 1 298 . 1 . 1 105 105 ARG CA C 13 55.077 0.009 . 1 . . . . . 105 ARG CA . 19182 1 299 . 1 . 1 105 105 ARG N N 15 120.221 0.031 . 1 . . . . . 105 ARG N . 19182 1 300 . 1 . 1 106 106 PHE H H 1 8.691 0.019 . 1 . . . . . 106 PHE H . 19182 1 301 . 1 . 1 106 106 PHE C C 13 176.762 0.010 . 1 . . . . . 106 PHE C . 19182 1 302 . 1 . 1 106 106 PHE CA C 13 57.340 0.005 . 1 . . . . . 106 PHE CA . 19182 1 303 . 1 . 1 106 106 PHE N N 15 119.552 0.032 . 1 . . . . . 106 PHE N . 19182 1 304 . 1 . 1 107 107 ARG H H 1 8.425 0.032 . 1 . . . . . 107 ARG H . 19182 1 305 . 1 . 1 107 107 ARG C C 13 173.650 0.040 . 1 . . . . . 107 ARG C . 19182 1 306 . 1 . 1 107 107 ARG CA C 13 56.047 0.009 . 1 . . . . . 107 ARG CA . 19182 1 307 . 1 . 1 107 107 ARG N N 15 116.526 0.040 . 1 . . . . . 107 ARG N . 19182 1 308 . 1 . 1 108 108 LEU H H 1 9.021 0.037 . 1 . . . . . 108 LEU H . 19182 1 309 . 1 . 1 108 108 LEU C C 13 176.820 0.019 . 1 . . . . . 108 LEU C . 19182 1 310 . 1 . 1 108 108 LEU CA C 13 54.260 0.063 . 1 . . . . . 108 LEU CA . 19182 1 311 . 1 . 1 108 108 LEU N N 15 121.814 0.055 . 1 . . . . . 108 LEU N . 19182 1 312 . 1 . 1 109 109 GLY H H 1 8.967 0.041 . 1 . . . . . 109 GLY H . 19182 1 313 . 1 . 1 109 109 GLY C C 13 169.415 0.003 . 1 . . . . . 109 GLY C . 19182 1 314 . 1 . 1 109 109 GLY CA C 13 46.803 0.008 . 1 . . . . . 109 GLY CA . 19182 1 315 . 1 . 1 109 109 GLY N N 15 111.116 0.074 . 1 . . . . . 109 GLY N . 19182 1 316 . 1 . 1 110 110 TYR H H 1 8.748 0.031 . 1 . . . . . 110 TYR H . 19182 1 317 . 1 . 1 110 110 TYR C C 13 175.858 0.004 . 1 . . . . . 110 TYR C . 19182 1 318 . 1 . 1 110 110 TYR CA C 13 56.650 0.024 . 1 . . . . . 110 TYR CA . 19182 1 319 . 1 . 1 110 110 TYR N N 15 116.417 0.045 . 1 . . . . . 110 TYR N . 19182 1 320 . 1 . 1 111 111 HIS H H 1 8.550 0.025 . 1 . . . . . 111 HIS H . 19182 1 321 . 1 . 1 111 111 HIS C C 13 177.010 0.004 . 1 . . . . . 111 HIS C . 19182 1 322 . 1 . 1 111 111 HIS CA C 13 55.135 0.020 . 1 . . . . . 111 HIS CA . 19182 1 323 . 1 . 1 111 111 HIS N N 15 119.497 0.030 . 1 . . . . . 111 HIS N . 19182 1 324 . 1 . 1 112 112 ALA H H 1 8.470 0.010 . 1 . . . . . 112 ALA H . 19182 1 325 . 1 . 1 112 112 ALA C C 13 176.427 0.000 . 1 . . . . . 112 ALA C . 19182 1 326 . 1 . 1 112 112 ALA CA C 13 54.315 0.014 . 1 . . . . . 112 ALA CA . 19182 1 327 . 1 . 1 112 112 ALA N N 15 122.672 0.042 . 1 . . . . . 112 ALA N . 19182 1 328 . 1 . 1 113 113 ILE H H 1 6.088 0.004 . 1 . . . . . 113 ILE H . 19182 1 329 . 1 . 1 113 113 ILE CA C 13 56.846 0.000 . 1 . . . . . 113 ILE CA . 19182 1 330 . 1 . 1 113 113 ILE N N 15 113.109 0.022 . 1 . . . . . 113 ILE N . 19182 1 331 . 1 . 1 114 114 PRO C C 13 176.046 0.000 . 1 . . . . . 114 PRO C . 19182 1 332 . 1 . 1 114 114 PRO CA C 13 64.319 0.000 . 1 . . . . . 114 PRO CA . 19182 1 333 . 1 . 1 115 115 SER H H 1 6.784 0.034 . 1 . . . . . 115 SER H . 19182 1 334 . 1 . 1 115 115 SER C C 13 173.157 0.000 . 1 . . . . . 115 SER C . 19182 1 335 . 1 . 1 115 115 SER CA C 13 56.202 0.000 . 1 . . . . . 115 SER CA . 19182 1 336 . 1 . 1 115 115 SER N N 15 109.068 0.067 . 1 . . . . . 115 SER N . 19182 1 337 . 1 . 1 120 120 HIS C C 13 170.647 0.000 . 1 . . . . . 120 HIS C . 19182 1 338 . 1 . 1 120 120 HIS CA C 13 54.344 0.000 . 1 . . . . . 120 HIS CA . 19182 1 339 . 1 . 1 121 121 LEU H H 1 8.446 0.035 . 1 . . . . . 121 LEU H . 19182 1 340 . 1 . 1 121 121 LEU C C 13 175.864 0.000 . 1 . . . . . 121 LEU C . 19182 1 341 . 1 . 1 121 121 LEU CA C 13 53.837 0.038 . 1 . . . . . 121 LEU CA . 19182 1 342 . 1 . 1 121 121 LEU N N 15 124.252 0.019 . 1 . . . . . 121 LEU N . 19182 1 343 . 1 . 1 122 122 HIS H H 1 9.472 0.035 . 1 . . . . . 122 HIS H . 19182 1 344 . 1 . 1 122 122 HIS C C 13 175.473 0.009 . 1 . . . . . 122 HIS C . 19182 1 345 . 1 . 1 122 122 HIS CA C 13 57.219 0.027 . 1 . . . . . 122 HIS CA . 19182 1 346 . 1 . 1 122 122 HIS N N 15 125.368 0.049 . 1 . . . . . 122 HIS N . 19182 1 347 . 1 . 1 123 123 VAL H H 1 9.351 0.029 . 1 . . . . . 123 VAL H . 19182 1 348 . 1 . 1 123 123 VAL C C 13 174.967 0.009 . 1 . . . . . 123 VAL C . 19182 1 349 . 1 . 1 123 123 VAL CA C 13 62.114 0.157 . 1 . . . . . 123 VAL CA . 19182 1 350 . 1 . 1 123 123 VAL N N 15 123.474 0.044 . 1 . . . . . 123 VAL N . 19182 1 351 . 1 . 1 124 124 ILE H H 1 8.943 0.040 . 1 . . . . . 124 ILE H . 19182 1 352 . 1 . 1 124 124 ILE C C 13 174.495 0.000 . 1 . . . . . 124 ILE C . 19182 1 353 . 1 . 1 124 124 ILE CA C 13 58.351 0.018 . 1 . . . . . 124 ILE CA . 19182 1 354 . 1 . 1 124 124 ILE N N 15 123.254 0.099 . 1 . . . . . 124 ILE N . 19182 1 355 . 1 . 1 125 125 SER H H 1 8.747 0.035 . 1 . . . . . 125 SER H . 19182 1 356 . 1 . 1 125 125 SER C C 13 173.920 0.000 . 1 . . . . . 125 SER C . 19182 1 357 . 1 . 1 125 125 SER CA C 13 58.574 0.019 . 1 . . . . . 125 SER CA . 19182 1 358 . 1 . 1 125 125 SER N N 15 128.539 0.030 . 1 . . . . . 125 SER N . 19182 1 359 . 1 . 1 126 126 GLN H H 1 7.475 0.025 . 1 . . . . . 126 GLN H . 19182 1 360 . 1 . 1 126 126 GLN C C 13 175.572 0.011 . 1 . . . . . 126 GLN C . 19182 1 361 . 1 . 1 126 126 GLN CA C 13 55.146 0.023 . 1 . . . . . 126 GLN CA . 19182 1 362 . 1 . 1 126 126 GLN N N 15 110.707 0.067 . 1 . . . . . 126 GLN N . 19182 1 363 . 1 . 1 127 127 ASP H H 1 9.167 0.023 . 1 . . . . . 127 ASP H . 19182 1 364 . 1 . 1 127 127 ASP C C 13 175.261 0.027 . 1 . . . . . 127 ASP C . 19182 1 365 . 1 . 1 127 127 ASP CA C 13 54.686 0.006 . 1 . . . . . 127 ASP CA . 19182 1 366 . 1 . 1 127 127 ASP N N 15 117.010 0.052 . 1 . . . . . 127 ASP N . 19182 1 367 . 1 . 1 128 128 PHE H H 1 5.906 0.005 . 1 . . . . . 128 PHE H . 19182 1 368 . 1 . 1 128 128 PHE C C 13 173.006 0.004 . 1 . . . . . 128 PHE C . 19182 1 369 . 1 . 1 128 128 PHE CA C 13 60.554 0.038 . 1 . . . . . 128 PHE CA . 19182 1 370 . 1 . 1 128 128 PHE N N 15 106.884 0.074 . 1 . . . . . 128 PHE N . 19182 1 371 . 1 . 1 129 129 ASP H H 1 9.054 0.028 . 1 . . . . . 129 ASP H . 19182 1 372 . 1 . 1 129 129 ASP C C 13 175.111 0.001 . 1 . . . . . 129 ASP C . 19182 1 373 . 1 . 1 129 129 ASP CA C 13 52.035 0.020 . 1 . . . . . 129 ASP CA . 19182 1 374 . 1 . 1 129 129 ASP N N 15 117.657 0.040 . 1 . . . . . 129 ASP N . 19182 1 375 . 1 . 1 130 130 SER H H 1 7.283 0.004 . 1 . . . . . 130 SER H . 19182 1 376 . 1 . 1 130 130 SER C C 13 174.569 0.000 . 1 . . . . . 130 SER C . 19182 1 377 . 1 . 1 130 130 SER CA C 13 52.965 0.000 . 1 . . . . . 130 SER CA . 19182 1 378 . 1 . 1 130 130 SER N N 15 112.691 0.046 . 1 . . . . . 130 SER N . 19182 1 379 . 1 . 1 131 131 PRO C C 13 176.838 0.000 . 1 . . . . . 131 PRO C . 19182 1 380 . 1 . 1 131 131 PRO CA C 13 63.352 0.000 . 1 . . . . . 131 PRO CA . 19182 1 381 . 1 . 1 132 132 CYS H H 1 8.090 0.034 . 1 . . . . . 132 CYS H . 19182 1 382 . 1 . 1 132 132 CYS C C 13 174.472 0.005 . 1 . . . . . 132 CYS C . 19182 1 383 . 1 . 1 132 132 CYS CA C 13 54.659 0.006 . 1 . . . . . 132 CYS CA . 19182 1 384 . 1 . 1 132 132 CYS N N 15 113.381 0.074 . 1 . . . . . 132 CYS N . 19182 1 385 . 1 . 1 133 133 LEU H H 1 7.190 0.038 . 1 . . . . . 133 LEU H . 19182 1 386 . 1 . 1 133 133 LEU C C 13 174.980 0.004 . 1 . . . . . 133 LEU C . 19182 1 387 . 1 . 1 133 133 LEU CA C 13 55.810 0.016 . 1 . . . . . 133 LEU CA . 19182 1 388 . 1 . 1 133 133 LEU N N 15 122.423 0.052 . 1 . . . . . 133 LEU N . 19182 1 389 . 1 . 1 134 134 LYS H H 1 10.286 0.002 . 1 . . . . . 134 LYS H . 19182 1 390 . 1 . 1 134 134 LYS C C 13 176.070 0.003 . 1 . . . . . 134 LYS C . 19182 1 391 . 1 . 1 134 134 LYS CA C 13 57.013 0.007 . 1 . . . . . 134 LYS CA . 19182 1 392 . 1 . 1 134 134 LYS N N 15 127.198 0.028 . 1 . . . . . 134 LYS N . 19182 1 393 . 1 . 1 135 135 ASN H H 1 8.087 0.038 . 1 . . . . . 135 ASN H . 19182 1 394 . 1 . 1 135 135 ASN C C 13 174.746 0.000 . 1 . . . . . 135 ASN C . 19182 1 395 . 1 . 1 135 135 ASN CA C 13 51.874 0.000 . 1 . . . . . 135 ASN CA . 19182 1 396 . 1 . 1 135 135 ASN N N 15 116.753 0.055 . 1 . . . . . 135 ASN N . 19182 1 397 . 1 . 1 136 136 LYS C C 13 176.924 0.000 . 1 . . . . . 136 LYS C . 19182 1 398 . 1 . 1 136 136 LYS CA C 13 59.899 0.000 . 1 . . . . . 136 LYS CA . 19182 1 399 . 1 . 1 137 137 LYS H H 1 8.026 0.026 . 1 . . . . . 137 LYS H . 19182 1 400 . 1 . 1 137 137 LYS C C 13 179.208 0.011 . 1 . . . . . 137 LYS C . 19182 1 401 . 1 . 1 137 137 LYS CA C 13 60.359 0.002 . 1 . . . . . 137 LYS CA . 19182 1 402 . 1 . 1 137 137 LYS N N 15 120.827 0.044 . 1 . . . . . 137 LYS N . 19182 1 403 . 1 . 1 138 138 HIS H H 1 8.077 0.024 . 1 . . . . . 138 HIS H . 19182 1 404 . 1 . 1 138 138 HIS C C 13 178.232 0.016 . 1 . . . . . 138 HIS C . 19182 1 405 . 1 . 1 138 138 HIS CA C 13 57.953 0.011 . 1 . . . . . 138 HIS CA . 19182 1 406 . 1 . 1 138 138 HIS N N 15 118.731 0.080 . 1 . . . . . 138 HIS N . 19182 1 407 . 1 . 1 139 139 TRP H H 1 7.634 0.034 . 1 . . . . . 139 TRP H . 19182 1 408 . 1 . 1 139 139 TRP C C 13 179.072 0.003 . 1 . . . . . 139 TRP C . 19182 1 409 . 1 . 1 139 139 TRP CA C 13 60.409 0.023 . 1 . . . . . 139 TRP CA . 19182 1 410 . 1 . 1 139 139 TRP N N 15 115.747 0.050 . 1 . . . . . 139 TRP N . 19182 1 411 . 1 . 1 140 140 ASN H H 1 9.120 0.033 . 1 . . . . . 140 ASN H . 19182 1 412 . 1 . 1 140 140 ASN C C 13 177.074 0.005 . 1 . . . . . 140 ASN C . 19182 1 413 . 1 . 1 140 140 ASN CA C 13 54.908 0.017 . 1 . . . . . 140 ASN CA . 19182 1 414 . 1 . 1 140 140 ASN N N 15 116.308 0.048 . 1 . . . . . 140 ASN N . 19182 1 415 . 1 . 1 141 141 SER H H 1 7.982 0.030 . 1 . . . . . 141 SER H . 19182 1 416 . 1 . 1 141 141 SER C C 13 171.835 0.000 . 1 . . . . . 141 SER C . 19182 1 417 . 1 . 1 141 141 SER CA C 13 60.668 0.000 . 1 . . . . . 141 SER CA . 19182 1 418 . 1 . 1 141 141 SER N N 15 117.208 0.050 . 1 . . . . . 141 SER N . 19182 1 419 . 1 . 1 142 142 PHE H H 1 6.469 0.031 . 1 . . . . . 142 PHE H . 19182 1 420 . 1 . 1 142 142 PHE C C 13 175.049 0.000 . 1 . . . . . 142 PHE C . 19182 1 421 . 1 . 1 142 142 PHE CA C 13 59.003 0.005 . 1 . . . . . 142 PHE CA . 19182 1 422 . 1 . 1 142 142 PHE N N 15 112.617 0.060 . 1 . . . . . 142 PHE N . 19182 1 423 . 1 . 1 143 143 ASN H H 1 6.770 0.029 . 1 . . . . . 143 ASN H . 19182 1 424 . 1 . 1 143 143 ASN C C 13 173.884 0.005 . 1 . . . . . 143 ASN C . 19182 1 425 . 1 . 1 143 143 ASN CA C 13 54.496 0.072 . 1 . . . . . 143 ASN CA . 19182 1 426 . 1 . 1 143 143 ASN N N 15 114.052 0.065 . 1 . . . . . 143 ASN N . 19182 1 427 . 1 . 1 144 144 THR H H 1 7.140 0.031 . 1 . . . . . 144 THR H . 19182 1 428 . 1 . 1 144 144 THR C C 13 176.086 0.014 . 1 . . . . . 144 THR C . 19182 1 429 . 1 . 1 144 144 THR CA C 13 60.951 0.009 . 1 . . . . . 144 THR CA . 19182 1 430 . 1 . 1 144 144 THR N N 15 107.863 0.054 . 1 . . . . . 144 THR N . 19182 1 431 . 1 . 1 145 145 GLU H H 1 9.260 0.036 . 1 . . . . . 145 GLU H . 19182 1 432 . 1 . 1 145 145 GLU C C 13 173.300 0.013 . 1 . . . . . 145 GLU C . 19182 1 433 . 1 . 1 145 145 GLU CA C 13 58.577 0.009 . 1 . . . . . 145 GLU CA . 19182 1 434 . 1 . 1 145 145 GLU N N 15 119.901 0.070 . 1 . . . . . 145 GLU N . 19182 1 435 . 1 . 1 146 146 TYR H H 1 7.811 0.036 . 1 . . . . . 146 TYR H . 19182 1 436 . 1 . 1 146 146 TYR C C 13 173.268 0.000 . 1 . . . . . 146 TYR C . 19182 1 437 . 1 . 1 146 146 TYR CA C 13 60.130 0.002 . 1 . . . . . 146 TYR CA . 19182 1 438 . 1 . 1 146 146 TYR N N 15 119.635 0.053 . 1 . . . . . 146 TYR N . 19182 1 439 . 1 . 1 147 147 PHE H H 1 7.843 0.003 . 1 . . . . . 147 PHE H . 19182 1 440 . 1 . 1 147 147 PHE C C 13 173.878 0.006 . 1 . . . . . 147 PHE C . 19182 1 441 . 1 . 1 147 147 PHE CA C 13 56.398 0.011 . 1 . . . . . 147 PHE CA . 19182 1 442 . 1 . 1 147 147 PHE N N 15 117.490 0.024 . 1 . . . . . 147 PHE N . 19182 1 443 . 1 . 1 148 148 LEU H H 1 9.061 0.035 . 1 . . . . . 148 LEU H . 19182 1 444 . 1 . 1 148 148 LEU C C 13 176.331 0.023 . 1 . . . . . 148 LEU C . 19182 1 445 . 1 . 1 148 148 LEU CA C 13 53.846 0.028 . 1 . . . . . 148 LEU CA . 19182 1 446 . 1 . 1 148 148 LEU N N 15 128.977 0.049 . 1 . . . . . 148 LEU N . 19182 1 447 . 1 . 1 149 149 GLU H H 1 8.799 0.027 . 1 . . . . . 149 GLU H . 19182 1 448 . 1 . 1 149 149 GLU C C 13 177.460 0.010 . 1 . . . . . 149 GLU C . 19182 1 449 . 1 . 1 149 149 GLU CA C 13 57.665 0.016 . 1 . . . . . 149 GLU CA . 19182 1 450 . 1 . 1 149 149 GLU N N 15 123.426 0.062 . 1 . . . . . 149 GLU N . 19182 1 451 . 1 . 1 150 150 SER H H 1 9.101 0.024 . 1 . . . . . 150 SER H . 19182 1 452 . 1 . 1 150 150 SER C C 13 177.487 0.000 . 1 . . . . . 150 SER C . 19182 1 453 . 1 . 1 150 150 SER CA C 13 61.754 0.021 . 1 . . . . . 150 SER CA . 19182 1 454 . 1 . 1 150 150 SER N N 15 120.136 0.035 . 1 . . . . . 150 SER N . 19182 1 455 . 1 . 1 151 151 GLN H H 1 9.164 0.038 . 1 . . . . . 151 GLN H . 19182 1 456 . 1 . 1 151 151 GLN C C 13 177.615 0.009 . 1 . . . . . 151 GLN C . 19182 1 457 . 1 . 1 151 151 GLN CA C 13 58.876 0.010 . 1 . . . . . 151 GLN CA . 19182 1 458 . 1 . 1 151 151 GLN N N 15 114.236 0.047 . 1 . . . . . 151 GLN N . 19182 1 459 . 1 . 1 152 152 ALA H H 1 6.919 0.037 . 1 . . . . . 152 ALA H . 19182 1 460 . 1 . 1 152 152 ALA C C 13 180.386 0.002 . 1 . . . . . 152 ALA C . 19182 1 461 . 1 . 1 152 152 ALA CA C 13 54.739 0.004 . 1 . . . . . 152 ALA CA . 19182 1 462 . 1 . 1 152 152 ALA N N 15 120.207 0.034 . 1 . . . . . 152 ALA N . 19182 1 463 . 1 . 1 153 153 VAL H H 1 8.076 0.025 . 1 . . . . . 153 VAL H . 19182 1 464 . 1 . 1 153 153 VAL C C 13 177.151 0.010 . 1 . . . . . 153 VAL C . 19182 1 465 . 1 . 1 153 153 VAL CA C 13 67.543 0.019 . 1 . . . . . 153 VAL CA . 19182 1 466 . 1 . 1 153 153 VAL N N 15 121.575 0.035 . 1 . . . . . 153 VAL N . 19182 1 467 . 1 . 1 154 154 ILE H H 1 8.381 0.001 . 1 . . . . . 154 ILE H . 19182 1 468 . 1 . 1 154 154 ILE C C 13 177.376 0.000 . 1 . . . . . 154 ILE C . 19182 1 469 . 1 . 1 154 154 ILE CA C 13 66.611 0.095 . 1 . . . . . 154 ILE CA . 19182 1 470 . 1 . 1 154 154 ILE N N 15 119.884 0.065 . 1 . . . . . 154 ILE N . 19182 1 471 . 1 . 1 155 155 GLU H H 1 7.931 0.005 . 1 . . . . . 155 GLU H . 19182 1 472 . 1 . 1 155 155 GLU C C 13 179.066 0.001 . 1 . . . . . 155 GLU C . 19182 1 473 . 1 . 1 155 155 GLU CA C 13 59.733 0.003 . 1 . . . . . 155 GLU CA . 19182 1 474 . 1 . 1 155 155 GLU N N 15 117.703 0.039 . 1 . . . . . 155 GLU N . 19182 1 475 . 1 . 1 156 156 MET H H 1 8.142 0.025 . 1 . . . . . 156 MET H . 19182 1 476 . 1 . 1 156 156 MET C C 13 178.153 0.001 . 1 . . . . . 156 MET C . 19182 1 477 . 1 . 1 156 156 MET CA C 13 59.986 0.017 . 1 . . . . . 156 MET CA . 19182 1 478 . 1 . 1 156 156 MET N N 15 119.302 0.035 . 1 . . . . . 156 MET N . 19182 1 479 . 1 . 1 157 157 VAL H H 1 8.045 0.018 . 1 . . . . . 157 VAL H . 19182 1 480 . 1 . 1 157 157 VAL C C 13 178.358 0.001 . 1 . . . . . 157 VAL C . 19182 1 481 . 1 . 1 157 157 VAL CA C 13 66.846 0.003 . 1 . . . . . 157 VAL CA . 19182 1 482 . 1 . 1 157 157 VAL N N 15 119.036 0.030 . 1 . . . . . 157 VAL N . 19182 1 483 . 1 . 1 158 158 GLN H H 1 8.713 0.018 . 1 . . . . . 158 GLN H . 19182 1 484 . 1 . 1 158 158 GLN C C 13 178.020 0.006 . 1 . . . . . 158 GLN C . 19182 1 485 . 1 . 1 158 158 GLN CA C 13 59.657 0.025 . 1 . . . . . 158 GLN CA . 19182 1 486 . 1 . 1 158 158 GLN N N 15 119.745 0.075 . 1 . . . . . 158 GLN N . 19182 1 487 . 1 . 1 159 159 GLU H H 1 8.300 0.025 . 1 . . . . . 159 GLU H . 19182 1 488 . 1 . 1 159 159 GLU C C 13 177.629 0.007 . 1 . . . . . 159 GLU C . 19182 1 489 . 1 . 1 159 159 GLU CA C 13 58.507 0.015 . 1 . . . . . 159 GLU CA . 19182 1 490 . 1 . 1 159 159 GLU N N 15 117.220 0.068 . 1 . . . . . 159 GLU N . 19182 1 491 . 1 . 1 160 160 ALA H H 1 8.588 0.004 . 1 . . . . . 160 ALA H . 19182 1 492 . 1 . 1 160 160 ALA C C 13 178.738 0.007 . 1 . . . . . 160 ALA C . 19182 1 493 . 1 . 1 160 160 ALA CA C 13 52.184 0.141 . 1 . . . . . 160 ALA CA . 19182 1 494 . 1 . 1 160 160 ALA N N 15 119.810 0.030 . 1 . . . . . 160 ALA N . 19182 1 495 . 1 . 1 161 161 GLY H H 1 8.235 0.035 . 1 . . . . . 161 GLY H . 19182 1 496 . 1 . 1 161 161 GLY C C 13 171.660 0.021 . 1 . . . . . 161 GLY C . 19182 1 497 . 1 . 1 161 161 GLY CA C 13 46.075 0.121 . 1 . . . . . 161 GLY CA . 19182 1 498 . 1 . 1 161 161 GLY N N 15 108.692 0.069 . 1 . . . . . 161 GLY N . 19182 1 499 . 1 . 1 162 162 ARG H H 1 7.194 0.006 . 1 . . . . . 162 ARG H . 19182 1 500 . 1 . 1 162 162 ARG C C 13 173.286 0.006 . 1 . . . . . 162 ARG C . 19182 1 501 . 1 . 1 162 162 ARG CA C 13 53.966 0.078 . 1 . . . . . 162 ARG CA . 19182 1 502 . 1 . 1 162 162 ARG N N 15 112.502 0.011 . 1 . . . . . 162 ARG N . 19182 1 503 . 1 . 1 163 163 VAL H H 1 9.603 0.029 . 1 . . . . . 163 VAL H . 19182 1 504 . 1 . 1 163 163 VAL C C 13 175.510 0.012 . 1 . . . . . 163 VAL C . 19182 1 505 . 1 . 1 163 163 VAL CA C 13 61.959 0.032 . 1 . . . . . 163 VAL CA . 19182 1 506 . 1 . 1 163 163 VAL N N 15 122.479 0.025 . 1 . . . . . 163 VAL N . 19182 1 507 . 1 . 1 164 164 THR H H 1 7.815 0.031 . 1 . . . . . 164 THR H . 19182 1 508 . 1 . 1 164 164 THR C C 13 172.797 0.011 . 1 . . . . . 164 THR C . 19182 1 509 . 1 . 1 164 164 THR CA C 13 62.595 0.022 . 1 . . . . . 164 THR CA . 19182 1 510 . 1 . 1 164 164 THR N N 15 125.315 0.083 . 1 . . . . . 164 THR N . 19182 1 511 . 1 . 1 165 165 VAL H H 1 8.306 0.034 . 1 . . . . . 165 VAL H . 19182 1 512 . 1 . 1 165 165 VAL C C 13 175.724 0.006 . 1 . . . . . 165 VAL C . 19182 1 513 . 1 . 1 165 165 VAL CA C 13 60.930 0.010 . 1 . . . . . 165 VAL CA . 19182 1 514 . 1 . 1 165 165 VAL N N 15 127.141 0.088 . 1 . . . . . 165 VAL N . 19182 1 515 . 1 . 1 166 166 ARG H H 1 8.557 0.034 . 1 . . . . . 166 ARG H . 19182 1 516 . 1 . 1 166 166 ARG C C 13 175.481 0.004 . 1 . . . . . 166 ARG C . 19182 1 517 . 1 . 1 166 166 ARG CA C 13 56.396 0.028 . 1 . . . . . 166 ARG CA . 19182 1 518 . 1 . 1 166 166 ARG N N 15 127.408 0.059 . 1 . . . . . 166 ARG N . 19182 1 519 . 1 . 1 167 167 ASP H H 1 8.310 0.003 . 1 . . . . . 167 ASP H . 19182 1 520 . 1 . 1 167 167 ASP C C 13 177.088 0.000 . 1 . . . . . 167 ASP C . 19182 1 521 . 1 . 1 167 167 ASP CA C 13 55.076 0.001 . 1 . . . . . 167 ASP CA . 19182 1 522 . 1 . 1 167 167 ASP N N 15 119.958 0.025 . 1 . . . . . 167 ASP N . 19182 1 523 . 1 . 1 170 170 PRO C C 13 179.359 0.000 . 1 . . . . . 170 PRO C . 19182 1 524 . 1 . 1 170 170 PRO CA C 13 66.174 0.000 . 1 . . . . . 170 PRO CA . 19182 1 525 . 1 . 1 171 171 GLU H H 1 7.759 0.032 . 1 . . . . . 171 GLU H . 19182 1 526 . 1 . 1 171 171 GLU C C 13 179.896 0.002 . 1 . . . . . 171 GLU C . 19182 1 527 . 1 . 1 171 171 GLU CA C 13 58.514 0.010 . 1 . . . . . 171 GLU CA . 19182 1 528 . 1 . 1 171 171 GLU N N 15 115.391 0.065 . 1 . . . . . 171 GLU N . 19182 1 529 . 1 . 1 172 172 LEU H H 1 7.970 0.018 . 1 . . . . . 172 LEU H . 19182 1 530 . 1 . 1 172 172 LEU C C 13 178.293 0.001 . 1 . . . . . 172 LEU C . 19182 1 531 . 1 . 1 172 172 LEU CA C 13 56.976 0.010 . 1 . . . . . 172 LEU CA . 19182 1 532 . 1 . 1 172 172 LEU N N 15 120.526 0.039 . 1 . . . . . 172 LEU N . 19182 1 533 . 1 . 1 173 173 LEU H H 1 7.042 0.023 . 1 . . . . . 173 LEU H . 19182 1 534 . 1 . 1 173 173 LEU C C 13 178.750 0.000 . 1 . . . . . 173 LEU C . 19182 1 535 . 1 . 1 173 173 LEU CA C 13 56.002 0.003 . 1 . . . . . 173 LEU CA . 19182 1 536 . 1 . 1 173 173 LEU N N 15 111.298 0.082 . 1 . . . . . 173 LEU N . 19182 1 537 . 1 . 1 174 174 LYS H H 1 7.331 0.023 . 1 . . . . . 174 LYS H . 19182 1 538 . 1 . 1 174 174 LYS C C 13 176.314 0.009 . 1 . . . . . 174 LYS C . 19182 1 539 . 1 . 1 174 174 LYS CA C 13 55.814 0.013 . 1 . . . . . 174 LYS CA . 19182 1 540 . 1 . 1 174 174 LYS N N 15 117.565 0.087 . 1 . . . . . 174 LYS N . 19182 1 541 . 1 . 1 175 175 LEU H H 1 6.964 0.036 . 1 . . . . . 175 LEU H . 19182 1 542 . 1 . 1 175 175 LEU C C 13 174.408 0.000 . 1 . . . . . 175 LEU C . 19182 1 543 . 1 . 1 175 175 LEU CA C 13 54.713 0.000 . 1 . . . . . 175 LEU CA . 19182 1 544 . 1 . 1 175 175 LEU N N 15 122.713 0.042 . 1 . . . . . 175 LEU N . 19182 1 545 . 1 . 1 176 176 PRO C C 13 176.925 0.000 . 1 . . . . . 176 PRO C . 19182 1 546 . 1 . 1 176 176 PRO CA C 13 62.809 0.000 . 1 . . . . . 176 PRO CA . 19182 1 547 . 1 . 1 177 177 LEU H H 1 8.475 0.027 . 1 . . . . . 177 LEU H . 19182 1 548 . 1 . 1 177 177 LEU C C 13 174.935 0.011 . 1 . . . . . 177 LEU C . 19182 1 549 . 1 . 1 177 177 LEU CA C 13 55.433 0.003 . 1 . . . . . 177 LEU CA . 19182 1 550 . 1 . 1 177 177 LEU N N 15 122.322 0.028 . 1 . . . . . 177 LEU N . 19182 1 551 . 1 . 1 178 178 ARG H H 1 7.593 0.019 . 1 . . . . . 178 ARG H . 19182 1 552 . 1 . 1 178 178 ARG C C 13 175.549 0.018 . 1 . . . . . 178 ARG C . 19182 1 553 . 1 . 1 178 178 ARG CA C 13 53.752 0.005 . 1 . . . . . 178 ARG CA . 19182 1 554 . 1 . 1 178 178 ARG N N 15 121.964 0.031 . 1 . . . . . 178 ARG N . 19182 1 555 . 1 . 1 179 179 CYS H H 1 8.571 0.040 . 1 . . . . . 179 CYS H . 19182 1 556 . 1 . 1 179 179 CYS C C 13 176.641 0.000 . 1 . . . . . 179 CYS C . 19182 1 557 . 1 . 1 179 179 CYS CA C 13 61.409 0.000 . 1 . . . . . 179 CYS CA . 19182 1 558 . 1 . 1 179 179 CYS N N 15 126.644 0.040 . 1 . . . . . 179 CYS N . 19182 1 559 . 1 . 1 180 180 HIS C C 13 176.498 0.000 . 1 . . . . . 180 HIS C . 19182 1 560 . 1 . 1 180 180 HIS CA C 13 58.581 0.023 . 1 . . . . . 180 HIS CA . 19182 1 561 . 1 . 1 181 181 GLU H H 1 9.159 0.037 . 1 . . . . . 181 GLU H . 19182 1 562 . 1 . 1 181 181 GLU C C 13 177.874 0.021 . 1 . . . . . 181 GLU C . 19182 1 563 . 1 . 1 181 181 GLU CA C 13 57.497 0.026 . 1 . . . . . 181 GLU CA . 19182 1 564 . 1 . 1 181 181 GLU N N 15 125.564 0.068 . 1 . . . . . 181 GLU N . 19182 1 565 . 1 . 1 182 182 CYS H H 1 8.268 0.030 . 1 . . . . . 182 CYS H . 19182 1 566 . 1 . 1 182 182 CYS C C 13 175.510 0.009 . 1 . . . . . 182 CYS C . 19182 1 567 . 1 . 1 182 182 CYS CA C 13 58.552 0.038 . 1 . . . . . 182 CYS CA . 19182 1 568 . 1 . 1 182 182 CYS N N 15 117.154 0.052 . 1 . . . . . 182 CYS N . 19182 1 569 . 1 . 1 183 183 GLN H H 1 7.474 0.035 . 1 . . . . . 183 GLN H . 19182 1 570 . 1 . 1 183 183 GLN C C 13 174.311 0.006 . 1 . . . . . 183 GLN C . 19182 1 571 . 1 . 1 183 183 GLN CA C 13 58.520 0.004 . 1 . . . . . 183 GLN CA . 19182 1 572 . 1 . 1 183 183 GLN N N 15 114.911 0.045 . 1 . . . . . 183 GLN N . 19182 1 573 . 1 . 1 184 184 GLN H H 1 7.851 0.032 . 1 . . . . . 184 GLN H . 19182 1 574 . 1 . 1 184 184 GLN C C 13 174.975 0.002 . 1 . . . . . 184 GLN C . 19182 1 575 . 1 . 1 184 184 GLN CA C 13 57.390 0.015 . 1 . . . . . 184 GLN CA . 19182 1 576 . 1 . 1 184 184 GLN N N 15 121.540 0.045 . 1 . . . . . 184 GLN N . 19182 1 577 . 1 . 1 185 185 LEU H H 1 8.306 0.026 . 1 . . . . . 185 LEU H . 19182 1 578 . 1 . 1 185 185 LEU C C 13 177.225 0.004 . 1 . . . . . 185 LEU C . 19182 1 579 . 1 . 1 185 185 LEU CA C 13 54.873 0.004 . 1 . . . . . 185 LEU CA . 19182 1 580 . 1 . 1 185 185 LEU N N 15 125.310 0.043 . 1 . . . . . 185 LEU N . 19182 1 581 . 1 . 1 186 186 LEU H H 1 8.365 0.034 . 1 . . . . . 186 LEU H . 19182 1 582 . 1 . 1 186 186 LEU C C 13 176.322 0.000 . 1 . . . . . 186 LEU C . 19182 1 583 . 1 . 1 186 186 LEU CA C 13 49.433 0.000 . 1 . . . . . 186 LEU CA . 19182 1 584 . 1 . 1 186 186 LEU N N 15 126.616 0.044 . 1 . . . . . 186 LEU N . 19182 1 585 . 1 . 1 190 190 PRO C C 13 179.937 0.000 . 1 . . . . . 190 PRO C . 19182 1 586 . 1 . 1 190 190 PRO CA C 13 66.609 0.000 . 1 . . . . . 190 PRO CA . 19182 1 587 . 1 . 1 191 191 GLN H H 1 7.149 0.034 . 1 . . . . . 191 GLN H . 19182 1 588 . 1 . 1 191 191 GLN C C 13 178.694 0.006 . 1 . . . . . 191 GLN C . 19182 1 589 . 1 . 1 191 191 GLN CA C 13 58.950 0.002 . 1 . . . . . 191 GLN CA . 19182 1 590 . 1 . 1 191 191 GLN N N 15 114.010 0.044 . 1 . . . . . 191 GLN N . 19182 1 591 . 1 . 1 192 192 LEU H H 1 8.306 0.036 . 1 . . . . . 192 LEU H . 19182 1 592 . 1 . 1 192 192 LEU C C 13 177.268 0.013 . 1 . . . . . 192 LEU C . 19182 1 593 . 1 . 1 192 192 LEU CA C 13 58.781 0.011 . 1 . . . . . 192 LEU CA . 19182 1 594 . 1 . 1 192 192 LEU N N 15 124.556 0.037 . 1 . . . . . 192 LEU N . 19182 1 595 . 1 . 1 193 193 LYS H H 1 8.651 0.034 . 1 . . . . . 193 LYS H . 19182 1 596 . 1 . 1 193 193 LYS C C 13 179.131 0.003 . 1 . . . . . 193 LYS C . 19182 1 597 . 1 . 1 193 193 LYS CA C 13 60.750 0.004 . 1 . . . . . 193 LYS CA . 19182 1 598 . 1 . 1 193 193 LYS N N 15 118.384 0.035 . 1 . . . . . 193 LYS N . 19182 1 599 . 1 . 1 194 194 GLU H H 1 7.373 0.034 . 1 . . . . . 194 GLU H . 19182 1 600 . 1 . 1 194 194 GLU C C 13 178.208 0.002 . 1 . . . . . 194 GLU C . 19182 1 601 . 1 . 1 194 194 GLU CA C 13 58.937 0.001 . 1 . . . . . 194 GLU CA . 19182 1 602 . 1 . 1 194 194 GLU N N 15 117.350 0.038 . 1 . . . . . 194 GLU N . 19182 1 603 . 1 . 1 195 195 HIS H H 1 7.948 0.031 . 1 . . . . . 195 HIS H . 19182 1 604 . 1 . 1 195 195 HIS C C 13 176.653 0.007 . 1 . . . . . 195 HIS C . 19182 1 605 . 1 . 1 195 195 HIS CA C 13 59.935 0.010 . 1 . . . . . 195 HIS CA . 19182 1 606 . 1 . 1 195 195 HIS N N 15 119.857 0.051 . 1 . . . . . 195 HIS N . 19182 1 607 . 1 . 1 196 196 LEU H H 1 8.614 0.036 . 1 . . . . . 196 LEU H . 19182 1 608 . 1 . 1 196 196 LEU C C 13 177.952 0.002 . 1 . . . . . 196 LEU C . 19182 1 609 . 1 . 1 196 196 LEU CA C 13 58.069 0.021 . 1 . . . . . 196 LEU CA . 19182 1 610 . 1 . 1 196 196 LEU N N 15 117.666 0.050 . 1 . . . . . 196 LEU N . 19182 1 611 . 1 . 1 197 197 ARG H H 1 6.686 0.033 . 1 . . . . . 197 ARG H . 19182 1 612 . 1 . 1 197 197 ARG C C 13 178.747 0.001 . 1 . . . . . 197 ARG C . 19182 1 613 . 1 . 1 197 197 ARG CA C 13 58.171 0.011 . 1 . . . . . 197 ARG CA . 19182 1 614 . 1 . 1 197 197 ARG N N 15 114.350 0.042 . 1 . . . . . 197 ARG N . 19182 1 615 . 1 . 1 198 198 LYS H H 1 7.350 0.037 . 1 . . . . . 198 LYS H . 19182 1 616 . 1 . 1 198 198 LYS C C 13 177.943 0.002 . 1 . . . . . 198 LYS C . 19182 1 617 . 1 . 1 198 198 LYS CA C 13 57.889 0.116 . 1 . . . . . 198 LYS CA . 19182 1 618 . 1 . 1 198 198 LYS N N 15 116.698 0.053 . 1 . . . . . 198 LYS N . 19182 1 619 . 1 . 1 199 199 HIS H H 1 7.392 0.031 . 1 . . . . . 199 HIS H . 19182 1 620 . 1 . 1 199 199 HIS C C 13 175.694 0.001 . 1 . . . . . 199 HIS C . 19182 1 621 . 1 . 1 199 199 HIS CA C 13 55.699 0.018 . 1 . . . . . 199 HIS CA . 19182 1 622 . 1 . 1 199 199 HIS N N 15 114.918 0.059 . 1 . . . . . 199 HIS N . 19182 1 623 . 1 . 1 200 200 TRP H H 1 7.364 0.039 . 1 . . . . . 200 TRP H . 19182 1 624 . 1 . 1 200 200 TRP C C 13 176.661 0.004 . 1 . . . . . 200 TRP C . 19182 1 625 . 1 . 1 200 200 TRP CA C 13 55.948 0.078 . 1 . . . . . 200 TRP CA . 19182 1 626 . 1 . 1 200 200 TRP N N 15 119.976 0.092 . 1 . . . . . 200 TRP N . 19182 1 627 . 1 . 1 201 201 THR H H 1 8.007 0.032 . 1 . . . . . 201 THR H . 19182 1 628 . 1 . 1 201 201 THR C C 13 173.677 0.003 . 1 . . . . . 201 THR C . 19182 1 629 . 1 . 1 201 201 THR CA C 13 61.816 0.011 . 1 . . . . . 201 THR CA . 19182 1 630 . 1 . 1 201 201 THR N N 15 114.159 0.045 . 1 . . . . . 201 THR N . 19182 1 631 . 1 . 1 202 202 GLN H H 1 7.956 0.032 . 1 . . . . . 202 GLN H . 19182 1 632 . 1 . 1 202 202 GLN C C 13 180.511 0.000 . 1 . . . . . 202 GLN C . 19182 1 633 . 1 . 1 202 202 GLN CA C 13 57.601 0.038 . 1 . . . . . 202 GLN CA . 19182 1 634 . 1 . 1 202 202 GLN N N 15 127.437 0.044 . 1 . . . . . 202 GLN N . 19182 1 stop_ save_