data_16917 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16917 _Entry.Title ; Receiver domain of sensor histidine kinase CKI1RD of Arabidopsis thaliana ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-05-10 _Entry.Accession_date 2010-05-10 _Entry.Last_release_date 2016-02-05 _Entry.Original_release_date 2016-02-05 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Blanka Pekarova . . . . 16917 2 Tomas Klumpler . . . . 16917 3 Olga Triskova . . . . 16917 4 Jakub Horak . . . . 16917 5 Severine Jansen . . . . 16917 6 Radka Dopitova . . . . 16917 7 Veronika Motackova . . . . 16917 8 Eliska Nejedla . . . . 16917 9 Lukas Zidek . . . . 16917 10 Jaromir Marek . . . . 16917 11 Vladimir Sklenar . . . . 16917 12 Jan Hejatko . . . . 16917 13 Lubomir Janda . . . . 16917 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16917 heteronucl_NOEs 1 16917 order_parameters 1 16917 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 315 16917 '15N chemical shifts' 158 16917 '1H chemical shifts' 158 16917 'General relaxation values' 285 16917 'chemical shift anisotropy values' 95 16917 'heteronuclear NOE values' 95 16917 'order parameters' 95 16917 tensors 95 16917 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 . . 2016-01-22 2010-05-10 update author 'update assignment and add relaxation data' 16917 2 . . 2012-03-13 2010-05-10 update BMRB 'update entry citation' 16917 1 . . 2011-05-23 2010-05-10 original author 'original release' 16917 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 16918 'Mg(2+)-bound CKI1RD' 16917 PDB 3MM4 . 16917 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16917 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21569135 _Citation.Full_citation . _Citation.Title ; Structure and binding specificity of the receiver domain of sensor histidine kinase CKI1 from Arabidopsis thaliana. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Plant J.' _Citation.Journal_name_full 'The Plant journal : for cell and molecular biology' _Citation.Journal_volume 67 _Citation.Journal_issue 5 _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 827 _Citation.Page_last 839 _Citation.Year 2011 _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 Blanka Pekarova . . . . 16917 1 2 Toma Klumpler . . . . 16917 1 3 Olga Tiskova . . . . 16917 1 4 Jakub Horak . . . . 16917 1 5 Severine Jansen . . . . 16917 1 6 Radka Dopitova . . . . 16917 1 7 Petra Borkovcova . . . . 16917 1 8 Veronika Papoukova . . . . 16917 1 9 Elika Nejedla . . . . 16917 1 10 Vladimir Sklena . . . . 16917 1 11 Jaromir Marek . . . . 16917 1 12 Luka Zidek . . . . 16917 1 13 Jan Hejatko . . . . 16917 1 14 Lubomir Janda . . . . 16917 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID CKI1 16917 1 'NMR analysis' 16917 1 'crystal structure' 16917 1 'protein-protein interaction' 16917 1 'receiver domain' 16917 1 'signal transduction' 16917 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16917 _Assembly.ID 1 _Assembly.Name CKI1RD _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 23184.0 _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 CKI1RD 1 $CKI1RD A . yes native no no . . . 16917 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CKI1RD _Entity.Sf_category entity _Entity.Sf_framecode CKI1RD _Entity.Entry_ID 16917 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CKI1RD _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 MASTDSESETRVKSVRTGRK PIGNPEDEQETSKPSDDEFL RGKRVLVVDDNFISRKVATG KLKKMGVSEVEQCDSGKEAL RLVTEGLTQREEQGSVDKLP FDYIFMDCQMPEMDGYEATR EIRKVEKSYGVRTPIIAVSG HDPGSEEARETIQAGMDAFL DKSLNQLANVIREIESKRHL EHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 207 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 16917 1 2 . GLY . 16917 1 3 . SER . 16917 1 4 . SER . 16917 1 5 . HIS . 16917 1 6 . HIS . 16917 1 7 . HIS . 16917 1 8 . HIS . 16917 1 9 . HIS . 16917 1 10 . HIS . 16917 1 11 . SER . 16917 1 12 . SER . 16917 1 13 . GLY . 16917 1 14 . LEU . 16917 1 15 . VAL . 16917 1 16 . PRO . 16917 1 17 . ARG . 16917 1 18 . GLY . 16917 1 19 . SER . 16917 1 20 . HIS . 16917 1 21 . MET . 16917 1 22 . ALA . 16917 1 23 . SER . 16917 1 24 . THR . 16917 1 25 . ASP . 16917 1 26 . SER . 16917 1 27 . GLU . 16917 1 28 . SER . 16917 1 29 . GLU . 16917 1 30 . THR . 16917 1 31 . ARG . 16917 1 32 . VAL . 16917 1 33 . LYS . 16917 1 34 . SER . 16917 1 35 . VAL . 16917 1 36 . ARG . 16917 1 37 . THR . 16917 1 38 . GLY . 16917 1 39 . ARG . 16917 1 40 . LYS . 16917 1 41 . PRO . 16917 1 42 . ILE . 16917 1 43 . GLY . 16917 1 44 . ASN . 16917 1 45 . PRO . 16917 1 46 . GLU . 16917 1 47 . ASP . 16917 1 48 . GLU . 16917 1 49 . GLN . 16917 1 50 . GLU . 16917 1 51 . THR . 16917 1 52 . SER . 16917 1 53 . LYS . 16917 1 54 . PRO . 16917 1 55 . SER . 16917 1 56 . ASP . 16917 1 57 . ASP . 16917 1 58 . GLU . 16917 1 59 . PHE . 16917 1 60 . LEU . 16917 1 61 . ARG . 16917 1 62 . GLY . 16917 1 63 . LYS . 16917 1 64 . ARG . 16917 1 65 . VAL . 16917 1 66 . LEU . 16917 1 67 . VAL . 16917 1 68 . VAL . 16917 1 69 . ASP . 16917 1 70 . ASP . 16917 1 71 . ASN . 16917 1 72 . PHE . 16917 1 73 . ILE . 16917 1 74 . SER . 16917 1 75 . ARG . 16917 1 76 . LYS . 16917 1 77 . VAL . 16917 1 78 . ALA . 16917 1 79 . THR . 16917 1 80 . GLY . 16917 1 81 . LYS . 16917 1 82 . LEU . 16917 1 83 . LYS . 16917 1 84 . LYS . 16917 1 85 . MET . 16917 1 86 . GLY . 16917 1 87 . VAL . 16917 1 88 . SER . 16917 1 89 . GLU . 16917 1 90 . VAL . 16917 1 91 . GLU . 16917 1 92 . GLN . 16917 1 93 . CYS . 16917 1 94 . ASP . 16917 1 95 . SER . 16917 1 96 . GLY . 16917 1 97 . LYS . 16917 1 98 . GLU . 16917 1 99 . ALA . 16917 1 100 . LEU . 16917 1 101 . ARG . 16917 1 102 . LEU . 16917 1 103 . VAL . 16917 1 104 . THR . 16917 1 105 . GLU . 16917 1 106 . GLY . 16917 1 107 . LEU . 16917 1 108 . THR . 16917 1 109 . GLN . 16917 1 110 . ARG . 16917 1 111 . GLU . 16917 1 112 . GLU . 16917 1 113 . GLN . 16917 1 114 . GLY . 16917 1 115 . SER . 16917 1 116 . VAL . 16917 1 117 . ASP . 16917 1 118 . LYS . 16917 1 119 . LEU . 16917 1 120 . PRO . 16917 1 121 . PHE . 16917 1 122 . ASP . 16917 1 123 . TYR . 16917 1 124 . ILE . 16917 1 125 . PHE . 16917 1 126 . MET . 16917 1 127 . ASP . 16917 1 128 . CYS . 16917 1 129 . GLN . 16917 1 130 . MET . 16917 1 131 . PRO . 16917 1 132 . GLU . 16917 1 133 . MET . 16917 1 134 . ASP . 16917 1 135 . GLY . 16917 1 136 . TYR . 16917 1 137 . GLU . 16917 1 138 . ALA . 16917 1 139 . THR . 16917 1 140 . ARG . 16917 1 141 . GLU . 16917 1 142 . ILE . 16917 1 143 . ARG . 16917 1 144 . LYS . 16917 1 145 . VAL . 16917 1 146 . GLU . 16917 1 147 . LYS . 16917 1 148 . SER . 16917 1 149 . TYR . 16917 1 150 . GLY . 16917 1 151 . VAL . 16917 1 152 . ARG . 16917 1 153 . THR . 16917 1 154 . PRO . 16917 1 155 . ILE . 16917 1 156 . ILE . 16917 1 157 . ALA . 16917 1 158 . VAL . 16917 1 159 . SER . 16917 1 160 . GLY . 16917 1 161 . HIS . 16917 1 162 . ASP . 16917 1 163 . PRO . 16917 1 164 . GLY . 16917 1 165 . SER . 16917 1 166 . GLU . 16917 1 167 . GLU . 16917 1 168 . ALA . 16917 1 169 . ARG . 16917 1 170 . GLU . 16917 1 171 . THR . 16917 1 172 . ILE . 16917 1 173 . GLN . 16917 1 174 . ALA . 16917 1 175 . GLY . 16917 1 176 . MET . 16917 1 177 . ASP . 16917 1 178 . ALA . 16917 1 179 . PHE . 16917 1 180 . LEU . 16917 1 181 . ASP . 16917 1 182 . LYS . 16917 1 183 . SER . 16917 1 184 . LEU . 16917 1 185 . ASN . 16917 1 186 . GLN . 16917 1 187 . LEU . 16917 1 188 . ALA . 16917 1 189 . ASN . 16917 1 190 . VAL . 16917 1 191 . ILE . 16917 1 192 . ARG . 16917 1 193 . GLU . 16917 1 194 . ILE . 16917 1 195 . GLU . 16917 1 196 . SER . 16917 1 197 . LYS . 16917 1 198 . ARG . 16917 1 199 . HIS . 16917 1 200 . LEU . 16917 1 201 . GLU . 16917 1 202 . HIS . 16917 1 203 . HIS . 16917 1 204 . HIS . 16917 1 205 . HIS . 16917 1 206 . HIS . 16917 1 207 . HIS . 16917 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 16917 1 . GLY 2 2 16917 1 . SER 3 3 16917 1 . SER 4 4 16917 1 . HIS 5 5 16917 1 . HIS 6 6 16917 1 . HIS 7 7 16917 1 . HIS 8 8 16917 1 . HIS 9 9 16917 1 . HIS 10 10 16917 1 . SER 11 11 16917 1 . SER 12 12 16917 1 . GLY 13 13 16917 1 . LEU 14 14 16917 1 . VAL 15 15 16917 1 . PRO 16 16 16917 1 . ARG 17 17 16917 1 . GLY 18 18 16917 1 . SER 19 19 16917 1 . HIS 20 20 16917 1 . MET 21 21 16917 1 . ALA 22 22 16917 1 . SER 23 23 16917 1 . THR 24 24 16917 1 . ASP 25 25 16917 1 . SER 26 26 16917 1 . GLU 27 27 16917 1 . SER 28 28 16917 1 . GLU 29 29 16917 1 . THR 30 30 16917 1 . ARG 31 31 16917 1 . VAL 32 32 16917 1 . LYS 33 33 16917 1 . SER 34 34 16917 1 . VAL 35 35 16917 1 . ARG 36 36 16917 1 . THR 37 37 16917 1 . GLY 38 38 16917 1 . ARG 39 39 16917 1 . LYS 40 40 16917 1 . PRO 41 41 16917 1 . ILE 42 42 16917 1 . GLY 43 43 16917 1 . ASN 44 44 16917 1 . PRO 45 45 16917 1 . GLU 46 46 16917 1 . ASP 47 47 16917 1 . GLU 48 48 16917 1 . GLN 49 49 16917 1 . GLU 50 50 16917 1 . THR 51 51 16917 1 . SER 52 52 16917 1 . LYS 53 53 16917 1 . PRO 54 54 16917 1 . SER 55 55 16917 1 . ASP 56 56 16917 1 . ASP 57 57 16917 1 . GLU 58 58 16917 1 . PHE 59 59 16917 1 . LEU 60 60 16917 1 . ARG 61 61 16917 1 . GLY 62 62 16917 1 . LYS 63 63 16917 1 . ARG 64 64 16917 1 . VAL 65 65 16917 1 . LEU 66 66 16917 1 . VAL 67 67 16917 1 . VAL 68 68 16917 1 . ASP 69 69 16917 1 . ASP 70 70 16917 1 . ASN 71 71 16917 1 . PHE 72 72 16917 1 . ILE 73 73 16917 1 . SER 74 74 16917 1 . ARG 75 75 16917 1 . LYS 76 76 16917 1 . VAL 77 77 16917 1 . ALA 78 78 16917 1 . THR 79 79 16917 1 . GLY 80 80 16917 1 . LYS 81 81 16917 1 . LEU 82 82 16917 1 . LYS 83 83 16917 1 . LYS 84 84 16917 1 . MET 85 85 16917 1 . GLY 86 86 16917 1 . VAL 87 87 16917 1 . SER 88 88 16917 1 . GLU 89 89 16917 1 . VAL 90 90 16917 1 . GLU 91 91 16917 1 . GLN 92 92 16917 1 . CYS 93 93 16917 1 . ASP 94 94 16917 1 . SER 95 95 16917 1 . GLY 96 96 16917 1 . LYS 97 97 16917 1 . GLU 98 98 16917 1 . ALA 99 99 16917 1 . LEU 100 100 16917 1 . ARG 101 101 16917 1 . LEU 102 102 16917 1 . VAL 103 103 16917 1 . THR 104 104 16917 1 . GLU 105 105 16917 1 . GLY 106 106 16917 1 . LEU 107 107 16917 1 . THR 108 108 16917 1 . GLN 109 109 16917 1 . ARG 110 110 16917 1 . GLU 111 111 16917 1 . GLU 112 112 16917 1 . GLN 113 113 16917 1 . GLY 114 114 16917 1 . SER 115 115 16917 1 . VAL 116 116 16917 1 . ASP 117 117 16917 1 . LYS 118 118 16917 1 . LEU 119 119 16917 1 . PRO 120 120 16917 1 . PHE 121 121 16917 1 . ASP 122 122 16917 1 . TYR 123 123 16917 1 . ILE 124 124 16917 1 . PHE 125 125 16917 1 . MET 126 126 16917 1 . ASP 127 127 16917 1 . CYS 128 128 16917 1 . GLN 129 129 16917 1 . MET 130 130 16917 1 . PRO 131 131 16917 1 . GLU 132 132 16917 1 . MET 133 133 16917 1 . ASP 134 134 16917 1 . GLY 135 135 16917 1 . TYR 136 136 16917 1 . GLU 137 137 16917 1 . ALA 138 138 16917 1 . THR 139 139 16917 1 . ARG 140 140 16917 1 . GLU 141 141 16917 1 . ILE 142 142 16917 1 . ARG 143 143 16917 1 . LYS 144 144 16917 1 . VAL 145 145 16917 1 . GLU 146 146 16917 1 . LYS 147 147 16917 1 . SER 148 148 16917 1 . TYR 149 149 16917 1 . GLY 150 150 16917 1 . VAL 151 151 16917 1 . ARG 152 152 16917 1 . THR 153 153 16917 1 . PRO 154 154 16917 1 . ILE 155 155 16917 1 . ILE 156 156 16917 1 . ALA 157 157 16917 1 . VAL 158 158 16917 1 . SER 159 159 16917 1 . GLY 160 160 16917 1 . HIS 161 161 16917 1 . ASP 162 162 16917 1 . PRO 163 163 16917 1 . GLY 164 164 16917 1 . SER 165 165 16917 1 . GLU 166 166 16917 1 . GLU 167 167 16917 1 . ALA 168 168 16917 1 . ARG 169 169 16917 1 . GLU 170 170 16917 1 . THR 171 171 16917 1 . ILE 172 172 16917 1 . GLN 173 173 16917 1 . ALA 174 174 16917 1 . GLY 175 175 16917 1 . MET 176 176 16917 1 . ASP 177 177 16917 1 . ALA 178 178 16917 1 . PHE 179 179 16917 1 . LEU 180 180 16917 1 . ASP 181 181 16917 1 . LYS 182 182 16917 1 . SER 183 183 16917 1 . LEU 184 184 16917 1 . ASN 185 185 16917 1 . GLN 186 186 16917 1 . LEU 187 187 16917 1 . ALA 188 188 16917 1 . ASN 189 189 16917 1 . VAL 190 190 16917 1 . ILE 191 191 16917 1 . ARG 192 192 16917 1 . GLU 193 193 16917 1 . ILE 194 194 16917 1 . GLU 195 195 16917 1 . SER 196 196 16917 1 . LYS 197 197 16917 1 . ARG 198 198 16917 1 . HIS 199 199 16917 1 . LEU 200 200 16917 1 . GLU 201 201 16917 1 . HIS 202 202 16917 1 . HIS 203 203 16917 1 . HIS 204 204 16917 1 . HIS 205 205 16917 1 . HIS 206 206 16917 1 . HIS 207 207 16917 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 16917 _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 $CKI1RD . 3702 organism . 'Arabidopsis thaliana' 'thale cress' . . Eukaryota Viridiplantae Arabidopsis thaliana . . . . . . . . . . . . . 16917 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 16917 _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 $CKI1RD . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pGBKT7-DEST . . . 16917 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16917 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CKI1RD '[U-100% 13C; U-100% 15N]' . . 1 $CKI1RD . . 1 . . mM . . . . 16917 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 16917 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 16917 1 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 16917 1 5 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 16917 1 6 D2O [U-2H] . . . . . . 10 . . % . . . . 16917 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16917 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 16917 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 171 . mM 16917 1 pH 7.5 . pH 16917 1 pressure 1 . atm 16917 1 temperature 298 . K 16917 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16917 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16917 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16917 1 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 16917 _Software.ID 2 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16917 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16917 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16917 _Software.ID 3 _Software.Name NMRPipe _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16917 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16917 3 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 16917 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 16917 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 16917 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 16917 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16917 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16917 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16917 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16917 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16917 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 16917 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.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 internal indirect 0.251449530 . . . . . 16917 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . . . 16917 1 N 15 'liquid anhydrous ammonia' nitrogen . . . . ppm 0 internal direct 1.0 . . . . . 16917 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 16917 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _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' . . . 16917 1 2 '3D HNCACB' . . . 16917 1 3 '3D CBCA(CO)NH' . . . 16917 1 4 '3D HNCA' . . . 16917 1 5 '3D HN(CO)CA' . . . 16917 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 13 13 GLY H H 1 8.281 . . 1 . . . . 13 GLY H . 16917 1 2 . 1 1 13 13 GLY CA C 13 45.265 . . 1 . . . . 13 GLY CA . 16917 1 3 . 1 1 13 13 GLY N N 15 114.388 . . 1 . . . . 13 GLY N . 16917 1 4 . 1 1 14 14 LEU H H 1 8.005 . . 1 . . . . 14 LEU H . 16917 1 5 . 1 1 14 14 LEU CA C 13 55.093 . . 1 . . . . 14 LEU CA . 16917 1 6 . 1 1 14 14 LEU CB C 13 42.296 . . 1 . . . . 14 LEU CB . 16917 1 7 . 1 1 14 14 LEU N N 15 121.475 . . 1 . . . . 14 LEU N . 16917 1 8 . 1 1 15 15 VAL H H 1 8.058 . . 1 . . . . 15 VAL H . 16917 1 9 . 1 1 15 15 VAL CA C 13 59.783 . . 1 . . . . 15 VAL CA . 16917 1 10 . 1 1 15 15 VAL CB C 13 32.541 . . 1 . . . . 15 VAL CB . 16917 1 11 . 1 1 15 15 VAL N N 15 122.496 . . 1 . . . . 15 VAL N . 16917 1 12 . 1 1 21 21 MET CA C 13 55.231 . . 1 . . . . 21 MET CA . 16917 1 13 . 1 1 21 21 MET CB C 13 32.767 . . 1 . . . . 21 MET CB . 16917 1 14 . 1 1 22 22 ALA H H 1 8.290 . . 1 . . . . 22 ALA H . 16917 1 15 . 1 1 22 22 ALA CA C 13 52.468 . . 1 . . . . 22 ALA CA . 16917 1 16 . 1 1 22 22 ALA CB C 13 19.291 . . 1 . . . . 22 ALA CB . 16917 1 17 . 1 1 22 22 ALA N N 15 125.307 . . 1 . . . . 22 ALA N . 16917 1 18 . 1 1 23 23 SER H H 1 8.346 . . 1 . . . . 23 SER H . 16917 1 19 . 1 1 23 23 SER CA C 13 58.373 . . 1 . . . . 23 SER CA . 16917 1 20 . 1 1 23 23 SER N N 15 115.490 . . 1 . . . . 23 SER N . 16917 1 21 . 1 1 24 24 THR CA C 13 61.856 . . 1 . . . . 24 THR CA . 16917 1 22 . 1 1 24 24 THR CB C 13 69.618 . . 1 . . . . 24 THR CB . 16917 1 23 . 1 1 25 25 ASP H H 1 8.324 . . 1 . . . . 25 ASP H . 16917 1 24 . 1 1 25 25 ASP CA C 13 54.524 . . 1 . . . . 25 ASP CA . 16917 1 25 . 1 1 25 25 ASP CB C 13 41.126 . . 1 . . . . 25 ASP CB . 16917 1 26 . 1 1 25 25 ASP N N 15 122.549 . . 1 . . . . 25 ASP N . 16917 1 27 . 1 1 26 26 SER H H 1 8.300 . . 1 . . . . 26 SER H . 16917 1 28 . 1 1 26 26 SER CA C 13 58.943 . . 1 . . . . 26 SER CA . 16917 1 29 . 1 1 26 26 SER CB C 13 63.786 . . 1 . . . . 26 SER CB . 16917 1 30 . 1 1 26 26 SER N N 15 116.448 . . 1 . . . . 26 SER N . 16917 1 31 . 1 1 27 27 GLU H H 1 8.442 . . 1 . . . . 27 GLU H . 16917 1 32 . 1 1 27 27 GLU CA C 13 57.058 . . 1 . . . . 27 GLU CA . 16917 1 33 . 1 1 27 27 GLU CB C 13 29.903 . . 1 . . . . 27 GLU CB . 16917 1 34 . 1 1 27 27 GLU N N 15 122.633 . . 1 . . . . 27 GLU N . 16917 1 35 . 1 1 28 28 SER H H 1 8.202 . . 1 . . . . 28 SER H . 16917 1 36 . 1 1 28 28 SER CA C 13 59.066 . . 1 . . . . 28 SER CA . 16917 1 37 . 1 1 28 28 SER CB C 13 63.660 . . 1 . . . . 28 SER CB . 16917 1 38 . 1 1 28 28 SER N N 15 115.941 . . 1 . . . . 28 SER N . 16917 1 39 . 1 1 29 29 GLU H H 1 8.340 . . 1 . . . . 29 GLU H . 16917 1 40 . 1 1 29 29 GLU CA C 13 57.093 . . 1 . . . . 29 GLU CA . 16917 1 41 . 1 1 29 29 GLU CB C 13 30.063 . . 1 . . . . 29 GLU CB . 16917 1 42 . 1 1 29 29 GLU N N 15 122.433 . . 1 . . . . 29 GLU N . 16917 1 43 . 1 1 30 30 THR H H 1 8.111 . . 1 . . . . 30 THR H . 16917 1 44 . 1 1 30 30 THR CA C 13 62.629 . . 1 . . . . 30 THR CA . 16917 1 45 . 1 1 30 30 THR CB C 13 69.421 . . 1 . . . . 30 THR CB . 16917 1 46 . 1 1 30 30 THR N N 15 114.582 . . 1 . . . . 30 THR N . 16917 1 47 . 1 1 31 31 ARG H H 1 8.191 . . 1 . . . . 31 ARG H . 16917 1 48 . 1 1 31 31 ARG CA C 13 56.565 . . 1 . . . . 31 ARG CA . 16917 1 49 . 1 1 31 31 ARG CB C 13 30.579 . . 1 . . . . 31 ARG CB . 16917 1 50 . 1 1 31 31 ARG N N 15 123.482 . . 1 . . . . 31 ARG N . 16917 1 51 . 1 1 32 32 VAL H H 1 8.067 . . 1 . . . . 32 VAL H . 16917 1 52 . 1 1 32 32 VAL CA C 13 62.605 . . 1 . . . . 32 VAL CA . 16917 1 53 . 1 1 32 32 VAL CB C 13 32.555 . . 1 . . . . 32 VAL CB . 16917 1 54 . 1 1 32 32 VAL N N 15 120.916 . . 1 . . . . 32 VAL N . 16917 1 55 . 1 1 33 33 LYS H H 1 8.337 . . 1 . . . . 33 LYS H . 16917 1 56 . 1 1 33 33 LYS CA C 13 56.572 . . 1 . . . . 33 LYS CA . 16917 1 57 . 1 1 33 33 LYS CB C 13 29.893 . . 1 . . . . 33 LYS CB . 16917 1 58 . 1 1 33 33 LYS N N 15 124.921 . . 1 . . . . 33 LYS N . 16917 1 59 . 1 1 34 34 SER CA C 13 58.293 . . 1 . . . . 34 SER CA . 16917 1 60 . 1 1 34 34 SER CB C 13 63.792 . . 1 . . . . 34 SER CB . 16917 1 61 . 1 1 35 35 VAL H H 1 8.154 . . 1 . . . . 35 VAL H . 16917 1 62 . 1 1 35 35 VAL CA C 13 62.359 . . 1 . . . . 35 VAL CA . 16917 1 63 . 1 1 35 35 VAL CB C 13 32.711 . . 1 . . . . 35 VAL CB . 16917 1 64 . 1 1 35 35 VAL N N 15 121.837 . . 1 . . . . 35 VAL N . 16917 1 65 . 1 1 41 41 PRO CA C 13 62.972 . . 1 . . . . 41 PRO CA . 16917 1 66 . 1 1 41 41 PRO CB C 13 31.867 . . 1 . . . . 41 PRO CB . 16917 1 67 . 1 1 42 42 ILE H H 1 8.192 . . 1 . . . . 42 ILE H . 16917 1 68 . 1 1 42 42 ILE CA C 13 61.190 . . 1 . . . . 42 ILE CA . 16917 1 69 . 1 1 42 42 ILE CB C 13 38.826 . . 1 . . . . 42 ILE CB . 16917 1 70 . 1 1 42 42 ILE N N 15 120.944 . . 1 . . . . 42 ILE N . 16917 1 71 . 1 1 43 43 GLY H H 1 8.412 . . 1 . . . . 43 GLY H . 16917 1 72 . 1 1 43 43 GLY CA C 13 44.936 . . 1 . . . . 43 GLY CA . 16917 1 73 . 1 1 43 43 GLY N N 15 112.657 . . 1 . . . . 43 GLY N . 16917 1 74 . 1 1 44 44 ASN H H 1 8.395 . . 1 . . . . 44 ASN H . 16917 1 75 . 1 1 44 44 ASN CA C 13 51.199 . . 1 . . . . 44 ASN CA . 16917 1 76 . 1 1 44 44 ASN CB C 13 38.698 . . 1 . . . . 44 ASN CB . 16917 1 77 . 1 1 44 44 ASN N N 15 120.167 . . 1 . . . . 44 ASN N . 16917 1 78 . 1 1 45 45 PRO CA C 13 64.094 . . 1 . . . . 45 PRO CA . 16917 1 79 . 1 1 45 45 PRO CB C 13 31.878 . . 1 . . . . 45 PRO CB . 16917 1 80 . 1 1 46 46 GLU H H 1 8.554 . . 1 . . . . 46 GLU H . 16917 1 81 . 1 1 46 46 GLU CA C 13 57.101 . . 1 . . . . 46 GLU CA . 16917 1 82 . 1 1 46 46 GLU CB C 13 29.597 . . 1 . . . . 46 GLU CB . 16917 1 83 . 1 1 46 46 GLU N N 15 119.027 . . 1 . . . . 46 GLU N . 16917 1 84 . 1 1 47 47 ASP H H 1 8.054 . . 1 . . . . 47 ASP H . 16917 1 85 . 1 1 47 47 ASP CA C 13 54.678 . . 1 . . . . 47 ASP CA . 16917 1 86 . 1 1 47 47 ASP CB C 13 41.119 . . 1 . . . . 47 ASP CB . 16917 1 87 . 1 1 47 47 ASP N N 15 120.324 . . 1 . . . . 47 ASP N . 16917 1 88 . 1 1 48 48 GLU H H 1 8.144 . . 1 . . . . 48 GLU H . 16917 1 89 . 1 1 48 48 GLU CA C 13 56.771 . . 1 . . . . 48 GLU CA . 16917 1 90 . 1 1 48 48 GLU CB C 13 30.138 . . 1 . . . . 48 GLU CB . 16917 1 91 . 1 1 48 48 GLU N N 15 120.999 . . 1 . . . . 48 GLU N . 16917 1 92 . 1 1 49 49 GLN H H 1 8.317 . . 1 . . . . 49 GLN H . 16917 1 93 . 1 1 49 49 GLN CA C 13 55.936 . . 1 . . . . 49 GLN CA . 16917 1 94 . 1 1 49 49 GLN CB C 13 29.504 . . 1 . . . . 49 GLN CB . 16917 1 95 . 1 1 49 49 GLN N N 15 120.720 . . 1 . . . . 49 GLN N . 16917 1 96 . 1 1 50 50 GLU H H 1 8.456 . . 1 . . . . 50 GLU H . 16917 1 97 . 1 1 50 50 GLU CA C 13 56.836 . . 1 . . . . 50 GLU CA . 16917 1 98 . 1 1 50 50 GLU CB C 13 30.135 . . 1 . . . . 50 GLU CB . 16917 1 99 . 1 1 50 50 GLU N N 15 122.059 . . 1 . . . . 50 GLU N . 16917 1 100 . 1 1 51 51 THR H H 1 8.199 . . 1 . . . . 51 THR H . 16917 1 101 . 1 1 51 51 THR CA C 13 61.916 . . 1 . . . . 51 THR CA . 16917 1 102 . 1 1 51 51 THR CB C 13 69.742 . . 1 . . . . 51 THR CB . 16917 1 103 . 1 1 51 51 THR N N 15 115.027 . . 1 . . . . 51 THR N . 16917 1 104 . 1 1 52 52 SER H H 1 8.295 . . 1 . . . . 52 SER H . 16917 1 105 . 1 1 52 52 SER CA C 13 58.266 . . 1 . . . . 52 SER CA . 16917 1 106 . 1 1 52 52 SER CB C 13 63.812 . . 1 . . . . 52 SER CB . 16917 1 107 . 1 1 52 52 SER N N 15 118.452 . . 1 . . . . 52 SER N . 16917 1 108 . 1 1 53 53 LYS H H 1 8.311 . . 1 . . . . 53 LYS H . 16917 1 109 . 1 1 53 53 LYS CA C 13 54.151 . . 1 . . . . 53 LYS CA . 16917 1 110 . 1 1 53 53 LYS CB C 13 32.525 . . 1 . . . . 53 LYS CB . 16917 1 111 . 1 1 53 53 LYS N N 15 124.428 . . 1 . . . . 53 LYS N . 16917 1 112 . 1 1 54 54 PRO CA C 13 63.085 . . 1 . . . . 54 PRO CA . 16917 1 113 . 1 1 54 54 PRO CB C 13 32.017 . . 1 . . . . 54 PRO CB . 16917 1 114 . 1 1 55 55 SER H H 1 8.436 . . 1 . . . . 55 SER H . 16917 1 115 . 1 1 55 55 SER CA C 13 58.237 . . 1 . . . . 55 SER CA . 16917 1 116 . 1 1 55 55 SER CB C 13 63.842 . . 1 . . . . 55 SER CB . 16917 1 117 . 1 1 55 55 SER N N 15 116.067 . . 1 . . . . 55 SER N . 16917 1 118 . 1 1 56 56 ASP H H 1 8.411 . . 1 . . . . 56 ASP H . 16917 1 119 . 1 1 56 56 ASP CA C 13 55.092 . . 1 . . . . 56 ASP CA . 16917 1 120 . 1 1 56 56 ASP CB C 13 40.926 . . 1 . . . . 56 ASP CB . 16917 1 121 . 1 1 56 56 ASP N N 15 122.849 . . 1 . . . . 56 ASP N . 16917 1 122 . 1 1 57 57 ASP H H 1 8.180 . . 1 . . . . 57 ASP H . 16917 1 123 . 1 1 57 57 ASP CA C 13 54.705 . . 1 . . . . 57 ASP CA . 16917 1 124 . 1 1 57 57 ASP CB C 13 41.657 . . 1 . . . . 57 ASP CB . 16917 1 125 . 1 1 57 57 ASP N N 15 119.180 . . 1 . . . . 57 ASP N . 16917 1 126 . 1 1 58 58 GLU H H 1 8.132 . . 1 . . . . 58 GLU H . 16917 1 127 . 1 1 58 58 GLU CA C 13 56.671 . . 1 . . . . 58 GLU CA . 16917 1 128 . 1 1 58 58 GLU CB C 13 29.373 . . 1 . . . . 58 GLU CB . 16917 1 129 . 1 1 58 58 GLU N N 15 120.179 . . 1 . . . . 58 GLU N . 16917 1 130 . 1 1 59 59 PHE H H 1 7.769 . . 1 . . . . 59 PHE H . 16917 1 131 . 1 1 59 59 PHE CA C 13 59.760 . . 1 . . . . 59 PHE CA . 16917 1 132 . 1 1 59 59 PHE CB C 13 39.060 . . 1 . . . . 59 PHE CB . 16917 1 133 . 1 1 59 59 PHE N N 15 118.616 . . 1 . . . . 59 PHE N . 16917 1 134 . 1 1 60 60 LEU H H 1 8.158 . . 1 . . . . 60 LEU H . 16917 1 135 . 1 1 60 60 LEU CA C 13 54.223 . . 1 . . . . 60 LEU CA . 16917 1 136 . 1 1 60 60 LEU CB C 13 42.035 . . 1 . . . . 60 LEU CB . 16917 1 137 . 1 1 60 60 LEU N N 15 117.773 . . 1 . . . . 60 LEU N . 16917 1 138 . 1 1 61 61 ARG H H 1 7.368 . . 1 . . . . 61 ARG H . 16917 1 139 . 1 1 61 61 ARG CA C 13 57.827 . . 1 . . . . 61 ARG CA . 16917 1 140 . 1 1 61 61 ARG CB C 13 29.595 . . 1 . . . . 61 ARG CB . 16917 1 141 . 1 1 61 61 ARG N N 15 119.898 . . 1 . . . . 61 ARG N . 16917 1 142 . 1 1 62 62 GLY H H 1 8.588 . . 1 . . . . 62 GLY H . 16917 1 143 . 1 1 62 62 GLY CA C 13 45.593 . . 1 . . . . 62 GLY CA . 16917 1 144 . 1 1 62 62 GLY N N 15 112.957 . . 1 . . . . 62 GLY N . 16917 1 145 . 1 1 63 63 LYS H H 1 7.790 . . 1 . . . . 63 LYS H . 16917 1 146 . 1 1 63 63 LYS CA C 13 54.339 . . 1 . . . . 63 LYS CA . 16917 1 147 . 1 1 63 63 LYS CB C 13 32.832 . . 1 . . . . 63 LYS CB . 16917 1 148 . 1 1 63 63 LYS N N 15 118.146 . . 1 . . . . 63 LYS N . 16917 1 149 . 1 1 64 64 ARG H H 1 9.900 . . 1 . . . . 64 ARG H . 16917 1 150 . 1 1 64 64 ARG CA C 13 55.039 . . 1 . . . . 64 ARG CA . 16917 1 151 . 1 1 64 64 ARG CB C 13 31.884 . . 1 . . . . 64 ARG CB . 16917 1 152 . 1 1 64 64 ARG N N 15 122.713 . . 1 . . . . 64 ARG N . 16917 1 153 . 1 1 65 65 VAL H H 1 8.767 . . 1 . . . . 65 VAL H . 16917 1 154 . 1 1 65 65 VAL CA C 13 58.720 . . 1 . . . . 65 VAL CA . 16917 1 155 . 1 1 65 65 VAL CB C 13 35.643 . . 1 . . . . 65 VAL CB . 16917 1 156 . 1 1 65 65 VAL N N 15 118.554 . . 1 . . . . 65 VAL N . 16917 1 157 . 1 1 66 66 LEU H H 1 7.908 . . 1 . . . . 66 LEU H . 16917 1 158 . 1 1 66 66 LEU CA C 13 52.703 . . 1 . . . . 66 LEU CA . 16917 1 159 . 1 1 66 66 LEU CB C 13 44.049 . . 1 . . . . 66 LEU CB . 16917 1 160 . 1 1 66 66 LEU N N 15 124.592 . . 1 . . . . 66 LEU N . 16917 1 161 . 1 1 67 67 VAL H H 1 8.840 . . 1 . . . . 67 VAL H . 16917 1 162 . 1 1 67 67 VAL CA C 13 61.985 . . 1 . . . . 67 VAL CA . 16917 1 163 . 1 1 67 67 VAL CB C 13 33.505 . . 1 . . . . 67 VAL CB . 16917 1 164 . 1 1 67 67 VAL N N 15 127.347 . . 1 . . . . 67 VAL N . 16917 1 165 . 1 1 68 68 VAL H H 1 8.732 . . 1 . . . . 68 VAL H . 16917 1 166 . 1 1 68 68 VAL CA C 13 60.293 . . 1 . . . . 68 VAL CA . 16917 1 167 . 1 1 68 68 VAL CB C 13 32.109 . . 1 . . . . 68 VAL CB . 16917 1 168 . 1 1 68 68 VAL N N 15 128.141 . . 1 . . . . 68 VAL N . 16917 1 169 . 1 1 69 69 ASP H H 1 7.989 . . 1 . . . . 69 ASP H . 16917 1 170 . 1 1 69 69 ASP CA C 13 54.774 . . 1 . . . . 69 ASP CA . 16917 1 171 . 1 1 69 69 ASP CB C 13 42.743 . . 1 . . . . 69 ASP CB . 16917 1 172 . 1 1 69 69 ASP N N 15 124.042 . . 1 . . . . 69 ASP N . 16917 1 173 . 1 1 70 70 ASP H H 1 9.051 . . 1 . . . . 70 ASP H . 16917 1 174 . 1 1 70 70 ASP CA C 13 55.480 . . 1 . . . . 70 ASP CA . 16917 1 175 . 1 1 70 70 ASP CB C 13 41.199 . . 1 . . . . 70 ASP CB . 16917 1 176 . 1 1 70 70 ASP N N 15 126.990 . . 1 . . . . 70 ASP N . 16917 1 177 . 1 1 71 71 ASN H H 1 8.932 . . 1 . . . . 71 ASN H . 16917 1 178 . 1 1 71 71 ASN CA C 13 52.691 . . 1 . . . . 71 ASN CA . 16917 1 179 . 1 1 71 71 ASN CB C 13 39.976 . . 1 . . . . 71 ASN CB . 16917 1 180 . 1 1 71 71 ASN N N 15 121.960 . . 1 . . . . 71 ASN N . 16917 1 181 . 1 1 72 72 PHE CA C 13 61.103 . . 1 . . . . 72 PHE CA . 16917 1 182 . 1 1 72 72 PHE CB C 13 39.112 . . 1 . . . . 72 PHE CB . 16917 1 183 . 1 1 73 73 ILE H H 1 7.719 . . 1 . . . . 73 ILE H . 16917 1 184 . 1 1 73 73 ILE CA C 13 64.112 . . 1 . . . . 73 ILE CA . 16917 1 185 . 1 1 73 73 ILE CB C 13 36.824 . . 1 . . . . 73 ILE CB . 16917 1 186 . 1 1 73 73 ILE N N 15 119.635 . . 1 . . . . 73 ILE N . 16917 1 187 . 1 1 74 74 SER H H 1 7.725 . . 1 . . . . 74 SER H . 16917 1 188 . 1 1 74 74 SER CA C 13 61.085 . . 1 . . . . 74 SER CA . 16917 1 189 . 1 1 74 74 SER N N 15 114.611 . . 1 . . . . 74 SER N . 16917 1 190 . 1 1 75 75 ARG H H 1 8.421 . . 1 . . . . 75 ARG H . 16917 1 191 . 1 1 75 75 ARG CA C 13 60.294 . . 1 . . . . 75 ARG CA . 16917 1 192 . 1 1 75 75 ARG CB C 13 30.879 . . 1 . . . . 75 ARG CB . 16917 1 193 . 1 1 75 75 ARG N N 15 124.087 . . 1 . . . . 75 ARG N . 16917 1 194 . 1 1 76 76 LYS H H 1 7.847 . . 1 . . . . 76 LYS H . 16917 1 195 . 1 1 76 76 LYS CA C 13 59.451 . . 1 . . . . 76 LYS CA . 16917 1 196 . 1 1 76 76 LYS CB C 13 31.831 . . 1 . . . . 76 LYS CB . 16917 1 197 . 1 1 76 76 LYS N N 15 122.034 . . 1 . . . . 76 LYS N . 16917 1 198 . 1 1 77 77 VAL H H 1 7.924 . . 1 . . . . 77 VAL H . 16917 1 199 . 1 1 77 77 VAL CA C 13 66.289 . . 1 . . . . 77 VAL CA . 16917 1 200 . 1 1 77 77 VAL CB C 13 31.639 . . 1 . . . . 77 VAL CB . 16917 1 201 . 1 1 77 77 VAL N N 15 122.062 . . 1 . . . . 77 VAL N . 16917 1 202 . 1 1 78 78 ALA H H 1 8.111 . . 1 . . . . 78 ALA H . 16917 1 203 . 1 1 78 78 ALA CA C 13 55.509 . . 1 . . . . 78 ALA CA . 16917 1 204 . 1 1 78 78 ALA CB C 13 17.905 . . 1 . . . . 78 ALA CB . 16917 1 205 . 1 1 78 78 ALA N N 15 122.610 . . 1 . . . . 78 ALA N . 16917 1 206 . 1 1 79 79 THR H H 1 8.251 . . 1 . . . . 79 THR H . 16917 1 207 . 1 1 79 79 THR CA C 13 67.830 . . 1 . . . . 79 THR CA . 16917 1 208 . 1 1 79 79 THR N N 15 112.484 . . 1 . . . . 79 THR N . 16917 1 209 . 1 1 80 80 GLY H H 1 7.923 . . 1 . . . . 80 GLY H . 16917 1 210 . 1 1 80 80 GLY CA C 13 47.308 . . 1 . . . . 80 GLY CA . 16917 1 211 . 1 1 80 80 GLY N N 15 107.785 . . 1 . . . . 80 GLY N . 16917 1 212 . 1 1 81 81 LYS H H 1 7.768 . . 1 . . . . 81 LYS H . 16917 1 213 . 1 1 81 81 LYS CA C 13 59.662 . . 1 . . . . 81 LYS CA . 16917 1 214 . 1 1 81 81 LYS CB C 13 32.450 . . 1 . . . . 81 LYS CB . 16917 1 215 . 1 1 81 81 LYS N N 15 122.526 . . 1 . . . . 81 LYS N . 16917 1 216 . 1 1 82 82 LEU H H 1 8.034 . . 1 . . . . 82 LEU H . 16917 1 217 . 1 1 82 82 LEU CA C 13 58.031 . . 1 . . . . 82 LEU CA . 16917 1 218 . 1 1 82 82 LEU CB C 13 41.331 . . 1 . . . . 82 LEU CB . 16917 1 219 . 1 1 82 82 LEU N N 15 119.223 . . 1 . . . . 82 LEU N . 16917 1 220 . 1 1 83 83 LYS H H 1 8.308 . . 1 . . . . 83 LYS H . 16917 1 221 . 1 1 83 83 LYS CA C 13 59.749 . . 1 . . . . 83 LYS CA . 16917 1 222 . 1 1 83 83 LYS CB C 13 31.600 . . 1 . . . . 83 LYS CB . 16917 1 223 . 1 1 83 83 LYS N N 15 119.155 . . 1 . . . . 83 LYS N . 16917 1 224 . 1 1 84 84 LYS H H 1 7.701 . . 1 . . . . 84 LYS H . 16917 1 225 . 1 1 84 84 LYS CA C 13 58.717 . . 1 . . . . 84 LYS CA . 16917 1 226 . 1 1 84 84 LYS CB C 13 31.797 . . 1 . . . . 84 LYS CB . 16917 1 227 . 1 1 84 84 LYS N N 15 121.054 . . 1 . . . . 84 LYS N . 16917 1 228 . 1 1 85 85 MET H H 1 7.358 . . 1 . . . . 85 MET H . 16917 1 229 . 1 1 85 85 MET CA C 13 55.735 . . 1 . . . . 85 MET CA . 16917 1 230 . 1 1 85 85 MET CB C 13 33.058 . . 1 . . . . 85 MET CB . 16917 1 231 . 1 1 85 85 MET N N 15 116.057 . . 1 . . . . 85 MET N . 16917 1 232 . 1 1 86 86 GLY H H 1 7.609 . . 1 . . . . 86 GLY H . 16917 1 233 . 1 1 86 86 GLY CA C 13 45.418 . . 1 . . . . 86 GLY CA . 16917 1 234 . 1 1 86 86 GLY N N 15 104.187 . . 1 . . . . 86 GLY N . 16917 1 235 . 1 1 87 87 VAL H H 1 7.191 . . 1 . . . . 87 VAL H . 16917 1 236 . 1 1 87 87 VAL CA C 13 63.083 . . 1 . . . . 87 VAL CA . 16917 1 237 . 1 1 87 87 VAL CB C 13 31.150 . . 1 . . . . 87 VAL CB . 16917 1 238 . 1 1 87 87 VAL N N 15 118.725 . . 1 . . . . 87 VAL N . 16917 1 239 . 1 1 88 88 SER H H 1 8.608 . . 1 . . . . 88 SER H . 16917 1 240 . 1 1 88 88 SER CA C 13 60.965 . . 1 . . . . 88 SER CA . 16917 1 241 . 1 1 88 88 SER CB C 13 63.889 . . 1 . . . . 88 SER CB . 16917 1 242 . 1 1 88 88 SER N N 15 121.146 . . 1 . . . . 88 SER N . 16917 1 243 . 1 1 89 89 GLU H H 1 7.623 . . 1 . . . . 89 GLU H . 16917 1 244 . 1 1 89 89 GLU CA C 13 55.589 . . 1 . . . . 89 GLU CA . 16917 1 245 . 1 1 89 89 GLU CB C 13 33.416 . . 1 . . . . 89 GLU CB . 16917 1 246 . 1 1 89 89 GLU N N 15 119.305 . . 1 . . . . 89 GLU N . 16917 1 247 . 1 1 90 90 VAL H H 1 8.657 . . 1 . . . . 90 VAL H . 16917 1 248 . 1 1 90 90 VAL CA C 13 60.466 . . 1 . . . . 90 VAL CA . 16917 1 249 . 1 1 90 90 VAL CB C 13 33.001 . . 1 . . . . 90 VAL CB . 16917 1 250 . 1 1 90 90 VAL N N 15 123.438 . . 1 . . . . 90 VAL N . 16917 1 251 . 1 1 91 91 GLU H H 1 9.131 . . 1 . . . . 91 GLU H . 16917 1 252 . 1 1 91 91 GLU CA C 13 54.361 . . 1 . . . . 91 GLU CA . 16917 1 253 . 1 1 91 91 GLU CB C 13 31.255 . . 1 . . . . 91 GLU CB . 16917 1 254 . 1 1 91 91 GLU N N 15 129.495 . . 1 . . . . 91 GLU N . 16917 1 255 . 1 1 92 92 GLN H H 1 9.012 . . 1 . . . . 92 GLN H . 16917 1 256 . 1 1 92 92 GLN CA C 13 54.068 . . 1 . . . . 92 GLN CA . 16917 1 257 . 1 1 92 92 GLN CB C 13 32.430 . . 1 . . . . 92 GLN CB . 16917 1 258 . 1 1 92 92 GLN N N 15 122.130 . . 1 . . . . 92 GLN N . 16917 1 259 . 1 1 93 93 CYS H H 1 8.807 . . 1 . . . . 93 CYS H . 16917 1 260 . 1 1 93 93 CYS CA C 13 57.300 . . 1 . . . . 93 CYS CA . 16917 1 261 . 1 1 93 93 CYS CB C 13 30.609 . . 1 . . . . 93 CYS CB . 16917 1 262 . 1 1 93 93 CYS N N 15 116.449 . . 1 . . . . 93 CYS N . 16917 1 263 . 1 1 94 94 ASP H H 1 8.325 . . 1 . . . . 94 ASP H . 16917 1 264 . 1 1 94 94 ASP CA C 13 52.997 . . 1 . . . . 94 ASP CA . 16917 1 265 . 1 1 94 94 ASP CB C 13 42.250 . . 1 . . . . 94 ASP CB . 16917 1 266 . 1 1 94 94 ASP N N 15 118.108 . . 1 . . . . 94 ASP N . 16917 1 267 . 1 1 95 95 SER H H 1 7.270 . . 1 . . . . 95 SER H . 16917 1 268 . 1 1 95 95 SER CA C 13 56.930 . . 1 . . . . 95 SER CA . 16917 1 269 . 1 1 95 95 SER CB C 13 66.248 . . 1 . . . . 95 SER CB . 16917 1 270 . 1 1 95 95 SER N N 15 108.212 . . 1 . . . . 95 SER N . 16917 1 271 . 1 1 96 96 GLY H H 1 9.665 . . 1 . . . . 96 GLY H . 16917 1 272 . 1 1 96 96 GLY CA C 13 47.296 . . 1 . . . . 96 GLY CA . 16917 1 273 . 1 1 96 96 GLY N N 15 112.000 . . 1 . . . . 96 GLY N . 16917 1 274 . 1 1 97 97 LYS H H 1 8.425 . . 1 . . . . 97 LYS H . 16917 1 275 . 1 1 97 97 LYS CA C 13 59.925 . . 1 . . . . 97 LYS CA . 16917 1 276 . 1 1 97 97 LYS CB C 13 32.166 . . 1 . . . . 97 LYS CB . 16917 1 277 . 1 1 97 97 LYS N N 15 121.249 . . 1 . . . . 97 LYS N . 16917 1 278 . 1 1 98 98 GLU H H 1 7.798 . . 1 . . . . 98 GLU H . 16917 1 279 . 1 1 98 98 GLU CA C 13 57.918 . . 1 . . . . 98 GLU CA . 16917 1 280 . 1 1 98 98 GLU CB C 13 29.902 . . 1 . . . . 98 GLU CB . 16917 1 281 . 1 1 98 98 GLU N N 15 121.083 . . 1 . . . . 98 GLU N . 16917 1 282 . 1 1 99 99 ALA H H 1 7.907 . . 1 . . . . 99 ALA H . 16917 1 283 . 1 1 99 99 ALA CA C 13 55.483 . . 1 . . . . 99 ALA CA . 16917 1 284 . 1 1 99 99 ALA CB C 13 18.603 . . 1 . . . . 99 ALA CB . 16917 1 285 . 1 1 99 99 ALA N N 15 123.631 . . 1 . . . . 99 ALA N . 16917 1 286 . 1 1 100 100 LEU H H 1 8.190 . . 1 . . . . 100 LEU H . 16917 1 287 . 1 1 100 100 LEU CA C 13 57.922 . . 1 . . . . 100 LEU CA . 16917 1 288 . 1 1 100 100 LEU CB C 13 41.926 . . 1 . . . . 100 LEU CB . 16917 1 289 . 1 1 100 100 LEU N N 15 117.025 . . 1 . . . . 100 LEU N . 16917 1 290 . 1 1 101 101 ARG H H 1 7.880 . . 1 . . . . 101 ARG H . 16917 1 291 . 1 1 101 101 ARG CA C 13 60.254 . . 1 . . . . 101 ARG CA . 16917 1 292 . 1 1 101 101 ARG CB C 13 29.625 . . 1 . . . . 101 ARG CB . 16917 1 293 . 1 1 101 101 ARG N N 15 123.638 . . 1 . . . . 101 ARG N . 16917 1 294 . 1 1 102 102 LEU H H 1 8.705 . . 1 . . . . 102 LEU H . 16917 1 295 . 1 1 102 102 LEU CA C 13 58.388 . . 1 . . . . 102 LEU CA . 16917 1 296 . 1 1 102 102 LEU CB C 13 42.430 . . 1 . . . . 102 LEU CB . 16917 1 297 . 1 1 102 102 LEU N N 15 119.432 . . 1 . . . . 102 LEU N . 16917 1 298 . 1 1 103 103 VAL H H 1 8.619 . . 1 . . . . 103 VAL H . 16917 1 299 . 1 1 103 103 VAL CA C 13 67.593 . . 1 . . . . 103 VAL CA . 16917 1 300 . 1 1 103 103 VAL CB C 13 32.035 . . 1 . . . . 103 VAL CB . 16917 1 301 . 1 1 103 103 VAL N N 15 120.413 . . 1 . . . . 103 VAL N . 16917 1 302 . 1 1 104 104 THR H H 1 8.363 . . 1 . . . . 104 THR H . 16917 1 303 . 1 1 104 104 THR CA C 13 68.320 . . 1 . . . . 104 THR CA . 16917 1 304 . 1 1 104 104 THR N N 15 116.576 . . 1 . . . . 104 THR N . 16917 1 305 . 1 1 105 105 GLU H H 1 8.941 . . 1 . . . . 105 GLU H . 16917 1 306 . 1 1 105 105 GLU CA C 13 59.436 . . 1 . . . . 105 GLU CA . 16917 1 307 . 1 1 105 105 GLU CB C 13 29.590 . . 1 . . . . 105 GLU CB . 16917 1 308 . 1 1 105 105 GLU N N 15 121.818 . . 1 . . . . 105 GLU N . 16917 1 309 . 1 1 106 106 GLY H H 1 7.985 . . 1 . . . . 106 GLY H . 16917 1 310 . 1 1 106 106 GLY CA C 13 47.179 . . 1 . . . . 106 GLY CA . 16917 1 311 . 1 1 106 106 GLY N N 15 106.887 . . 1 . . . . 106 GLY N . 16917 1 312 . 1 1 107 107 LEU H H 1 8.309 . . 1 . . . . 107 LEU H . 16917 1 313 . 1 1 107 107 LEU CA C 13 57.788 . . 1 . . . . 107 LEU CA . 16917 1 314 . 1 1 107 107 LEU CB C 13 40.642 . . 1 . . . . 107 LEU CB . 16917 1 315 . 1 1 107 107 LEU N N 15 122.788 . . 1 . . . . 107 LEU N . 16917 1 316 . 1 1 108 108 THR H H 1 7.871 . . 1 . . . . 108 THR H . 16917 1 317 . 1 1 108 108 THR CA C 13 66.049 . . 1 . . . . 108 THR CA . 16917 1 318 . 1 1 108 108 THR CB C 13 69.030 . . 1 . . . . 108 THR CB . 16917 1 319 . 1 1 108 108 THR N N 15 114.278 . . 1 . . . . 108 THR N . 16917 1 320 . 1 1 109 109 GLN H H 1 8.038 . . 1 . . . . 109 GLN H . 16917 1 321 . 1 1 109 109 GLN CA C 13 58.374 . . 1 . . . . 109 GLN CA . 16917 1 322 . 1 1 109 109 GLN CB C 13 28.383 . . 1 . . . . 109 GLN CB . 16917 1 323 . 1 1 109 109 GLN N N 15 120.895 . . 1 . . . . 109 GLN N . 16917 1 324 . 1 1 110 110 ARG H H 1 7.641 . . 1 . . . . 110 ARG H . 16917 1 325 . 1 1 110 110 ARG CA C 13 58.016 . . 1 . . . . 110 ARG CA . 16917 1 326 . 1 1 110 110 ARG CB C 13 29.895 . . 1 . . . . 110 ARG CB . 16917 1 327 . 1 1 110 110 ARG N N 15 118.423 . . 1 . . . . 110 ARG N . 16917 1 328 . 1 1 111 111 GLU H H 1 7.924 . . 1 . . . . 111 GLU H . 16917 1 329 . 1 1 111 111 GLU CA C 13 58.751 . . 1 . . . . 111 GLU CA . 16917 1 330 . 1 1 111 111 GLU N N 15 120.973 . . 1 . . . . 111 GLU N . 16917 1 331 . 1 1 112 112 GLU CA C 13 58.357 . . 1 . . . . 112 GLU CA . 16917 1 332 . 1 1 112 112 GLU CB C 13 29.944 . . 1 . . . . 112 GLU CB . 16917 1 333 . 1 1 113 113 GLN H H 1 8.144 . . 1 . . . . 113 GLN H . 16917 1 334 . 1 1 113 113 GLN CA C 13 56.261 . . 1 . . . . 113 GLN CA . 16917 1 335 . 1 1 113 113 GLN CB C 13 28.696 . . 1 . . . . 113 GLN CB . 16917 1 336 . 1 1 113 113 GLN N N 15 116.947 . . 1 . . . . 113 GLN N . 16917 1 337 . 1 1 114 114 GLY H H 1 8.074 . . 1 . . . . 114 GLY H . 16917 1 338 . 1 1 114 114 GLY CA C 13 45.948 . . 1 . . . . 114 GLY CA . 16917 1 339 . 1 1 114 114 GLY N N 15 108.646 . . 1 . . . . 114 GLY N . 16917 1 340 . 1 1 115 115 SER H H 1 7.978 . . 1 . . . . 115 SER H . 16917 1 341 . 1 1 115 115 SER CA C 13 57.989 . . 1 . . . . 115 SER CA . 16917 1 342 . 1 1 115 115 SER CB C 13 63.559 . . 1 . . . . 115 SER CB . 16917 1 343 . 1 1 115 115 SER N N 15 114.807 . . 1 . . . . 115 SER N . 16917 1 344 . 1 1 116 116 VAL H H 1 8.225 . . 1 . . . . 116 VAL H . 16917 1 345 . 1 1 116 116 VAL CA C 13 63.009 . . 1 . . . . 116 VAL CA . 16917 1 346 . 1 1 116 116 VAL CB C 13 31.919 . . 1 . . . . 116 VAL CB . 16917 1 347 . 1 1 116 116 VAL N N 15 120.519 . . 1 . . . . 116 VAL N . 16917 1 348 . 1 1 117 117 ASP H H 1 8.193 . . 1 . . . . 117 ASP H . 16917 1 349 . 1 1 117 117 ASP N N 15 117.234 . . 1 . . . . 117 ASP N . 16917 1 350 . 1 1 120 120 PRO CA C 13 64.036 . . 1 . . . . 120 PRO CA . 16917 1 351 . 1 1 120 120 PRO CB C 13 30.921 . . 1 . . . . 120 PRO CB . 16917 1 352 . 1 1 121 121 PHE H H 1 6.967 . . 1 . . . . 121 PHE H . 16917 1 353 . 1 1 121 121 PHE CA C 13 56.186 . . 1 . . . . 121 PHE CA . 16917 1 354 . 1 1 121 121 PHE CB C 13 42.031 . . 1 . . . . 121 PHE CB . 16917 1 355 . 1 1 121 121 PHE N N 15 111.571 . . 1 . . . . 121 PHE N . 16917 1 356 . 1 1 122 122 ASP H H 1 9.218 . . 1 . . . . 122 ASP H . 16917 1 357 . 1 1 122 122 ASP CA C 13 57.379 . . 1 . . . . 122 ASP CA . 16917 1 358 . 1 1 122 122 ASP CB C 13 43.572 . . 1 . . . . 122 ASP CB . 16917 1 359 . 1 1 122 122 ASP N N 15 120.105 . . 1 . . . . 122 ASP N . 16917 1 360 . 1 1 123 123 TYR H H 1 7.051 . . 1 . . . . 123 TYR H . 16917 1 361 . 1 1 123 123 TYR CA C 13 56.959 . . 1 . . . . 123 TYR CA . 16917 1 362 . 1 1 123 123 TYR CB C 13 44.664 . . 1 . . . . 123 TYR CB . 16917 1 363 . 1 1 123 123 TYR N N 15 106.649 . . 1 . . . . 123 TYR N . 16917 1 364 . 1 1 124 124 ILE H H 1 8.188 . . 1 . . . . 124 ILE H . 16917 1 365 . 1 1 124 124 ILE CA C 13 60.252 . . 1 . . . . 124 ILE CA . 16917 1 366 . 1 1 124 124 ILE CB C 13 40.316 . . 1 . . . . 124 ILE CB . 16917 1 367 . 1 1 124 124 ILE N N 15 120.415 . . 1 . . . . 124 ILE N . 16917 1 368 . 1 1 125 125 PHE H H 1 9.239 . . 1 . . . . 125 PHE H . 16917 1 369 . 1 1 125 125 PHE CA C 13 56.952 . . 1 . . . . 125 PHE CA . 16917 1 370 . 1 1 125 125 PHE CB C 13 39.331 . . 1 . . . . 125 PHE CB . 16917 1 371 . 1 1 125 125 PHE N N 15 127.387 . . 1 . . . . 125 PHE N . 16917 1 372 . 1 1 126 126 MET H H 1 9.100 . . 1 . . . . 126 MET H . 16917 1 373 . 1 1 126 126 MET CA C 13 53.116 . . 1 . . . . 126 MET CA . 16917 1 374 . 1 1 126 126 MET CB C 13 35.287 . . 1 . . . . 126 MET CB . 16917 1 375 . 1 1 126 126 MET N N 15 125.710 . . 1 . . . . 126 MET N . 16917 1 376 . 1 1 127 127 ASP H H 1 7.908 . . 1 . . . . 127 ASP H . 16917 1 377 . 1 1 127 127 ASP CA C 13 55.483 . . 1 . . . . 127 ASP CA . 16917 1 378 . 1 1 127 127 ASP CB C 13 41.931 . . 1 . . . . 127 ASP CB . 16917 1 379 . 1 1 127 127 ASP N N 15 129.487 . . 1 . . . . 127 ASP N . 16917 1 380 . 1 1 130 130 MET H H 1 7.168 . . 1 . . . . 130 MET H . 16917 1 381 . 1 1 130 130 MET N N 15 121.104 . . 1 . . . . 130 MET N . 16917 1 382 . 1 1 133 133 MET H H 1 8.454 . . 1 . . . . 133 MET H . 16917 1 383 . 1 1 133 133 MET N N 15 120.616 . . 1 . . . . 133 MET N . 16917 1 384 . 1 1 137 137 GLU CA C 13 59.264 . . 1 . . . . 137 GLU CA . 16917 1 385 . 1 1 137 137 GLU CB C 13 29.567 . . 1 . . . . 137 GLU CB . 16917 1 386 . 1 1 138 138 ALA H H 1 8.716 . . 1 . . . . 138 ALA H . 16917 1 387 . 1 1 138 138 ALA CA C 13 55.553 . . 1 . . . . 138 ALA CA . 16917 1 388 . 1 1 138 138 ALA CB C 13 18.399 . . 1 . . . . 138 ALA CB . 16917 1 389 . 1 1 138 138 ALA N N 15 119.857 . . 1 . . . . 138 ALA N . 16917 1 390 . 1 1 139 139 THR H H 1 7.623 . . 1 . . . . 139 THR H . 16917 1 391 . 1 1 139 139 THR CA C 13 68.615 . . 1 . . . . 139 THR CA . 16917 1 392 . 1 1 139 139 THR CB C 13 67.006 . . 1 . . . . 139 THR CB . 16917 1 393 . 1 1 139 139 THR N N 15 114.616 . . 1 . . . . 139 THR N . 16917 1 394 . 1 1 140 140 ARG H H 1 8.104 . . 1 . . . . 140 ARG H . 16917 1 395 . 1 1 140 140 ARG CA C 13 60.546 . . 1 . . . . 140 ARG CA . 16917 1 396 . 1 1 140 140 ARG CB C 13 30.513 . . 1 . . . . 140 ARG CB . 16917 1 397 . 1 1 140 140 ARG N N 15 121.107 . . 1 . . . . 140 ARG N . 16917 1 398 . 1 1 141 141 GLU H H 1 8.345 . . 1 . . . . 141 GLU H . 16917 1 399 . 1 1 141 141 GLU CA C 13 58.836 . . 1 . . . . 141 GLU CA . 16917 1 400 . 1 1 141 141 GLU CB C 13 29.664 . . 1 . . . . 141 GLU CB . 16917 1 401 . 1 1 141 141 GLU N N 15 117.814 . . 1 . . . . 141 GLU N . 16917 1 402 . 1 1 142 142 ILE H H 1 8.810 . . 1 . . . . 142 ILE H . 16917 1 403 . 1 1 142 142 ILE CA C 13 66.191 . . 1 . . . . 142 ILE CA . 16917 1 404 . 1 1 142 142 ILE CB C 13 37.904 . . 1 . . . . 142 ILE CB . 16917 1 405 . 1 1 142 142 ILE N N 15 124.114 . . 1 . . . . 142 ILE N . 16917 1 406 . 1 1 143 143 ARG H H 1 8.701 . . 1 . . . . 143 ARG H . 16917 1 407 . 1 1 143 143 ARG CA C 13 57.699 . . 1 . . . . 143 ARG CA . 16917 1 408 . 1 1 143 143 ARG CB C 13 28.929 . . 1 . . . . 143 ARG CB . 16917 1 409 . 1 1 143 143 ARG N N 15 117.866 . . 1 . . . . 143 ARG N . 16917 1 410 . 1 1 144 144 LYS H H 1 7.522 . . 1 . . . . 144 LYS H . 16917 1 411 . 1 1 144 144 LYS CA C 13 60.254 . . 1 . . . . 144 LYS CA . 16917 1 412 . 1 1 144 144 LYS CB C 13 32.632 . . 1 . . . . 144 LYS CB . 16917 1 413 . 1 1 144 144 LYS N N 15 118.348 . . 1 . . . . 144 LYS N . 16917 1 414 . 1 1 145 145 VAL H H 1 7.673 . . 1 . . . . 145 VAL H . 16917 1 415 . 1 1 145 145 VAL CA C 13 65.757 . . 1 . . . . 145 VAL CA . 16917 1 416 . 1 1 145 145 VAL N N 15 120.660 . . 1 . . . . 145 VAL N . 16917 1 417 . 1 1 146 146 GLU H H 1 8.545 . . 1 . . . . 146 GLU H . 16917 1 418 . 1 1 146 146 GLU CA C 13 59.833 . . 1 . . . . 146 GLU CA . 16917 1 419 . 1 1 146 146 GLU CB C 13 30.765 . . 1 . . . . 146 GLU CB . 16917 1 420 . 1 1 146 146 GLU N N 15 118.592 . . 1 . . . . 146 GLU N . 16917 1 421 . 1 1 147 147 LYS H H 1 7.503 . . 1 . . . . 147 LYS H . 16917 1 422 . 1 1 147 147 LYS CA C 13 59.559 . . 1 . . . . 147 LYS CA . 16917 1 423 . 1 1 147 147 LYS CB C 13 32.408 . . 1 . . . . 147 LYS CB . 16917 1 424 . 1 1 147 147 LYS N N 15 118.027 . . 1 . . . . 147 LYS N . 16917 1 425 . 1 1 148 148 SER H H 1 7.800 . . 1 . . . . 148 SER H . 16917 1 426 . 1 1 148 148 SER CA C 13 61.362 . . 1 . . . . 148 SER CA . 16917 1 427 . 1 1 148 148 SER CB C 13 62.721 . . 1 . . . . 148 SER CB . 16917 1 428 . 1 1 148 148 SER N N 15 113.493 . . 1 . . . . 148 SER N . 16917 1 429 . 1 1 149 149 TYR H H 1 7.690 . . 1 . . . . 149 TYR H . 16917 1 430 . 1 1 149 149 TYR CA C 13 58.665 . . 1 . . . . 149 TYR CA . 16917 1 431 . 1 1 149 149 TYR CB C 13 40.613 . . 1 . . . . 149 TYR CB . 16917 1 432 . 1 1 149 149 TYR N N 15 117.573 . . 1 . . . . 149 TYR N . 16917 1 433 . 1 1 150 150 GLY H H 1 7.860 . . 1 . . . . 150 GLY H . 16917 1 434 . 1 1 150 150 GLY CA C 13 46.782 . . 1 . . . . 150 GLY CA . 16917 1 435 . 1 1 150 150 GLY N N 15 107.499 . . 1 . . . . 150 GLY N . 16917 1 436 . 1 1 151 151 VAL H H 1 6.817 . . 1 . . . . 151 VAL H . 16917 1 437 . 1 1 151 151 VAL CA C 13 58.597 . . 1 . . . . 151 VAL CA . 16917 1 438 . 1 1 151 151 VAL CB C 13 35.302 . . 1 . . . . 151 VAL CB . 16917 1 439 . 1 1 151 151 VAL N N 15 109.240 . . 1 . . . . 151 VAL N . 16917 1 440 . 1 1 152 152 ARG H H 1 8.364 . . 1 . . . . 152 ARG H . 16917 1 441 . 1 1 152 152 ARG CA C 13 56.146 . . 1 . . . . 152 ARG CA . 16917 1 442 . 1 1 152 152 ARG CB C 13 31.922 . . 1 . . . . 152 ARG CB . 16917 1 443 . 1 1 152 152 ARG N N 15 121.216 . . 1 . . . . 152 ARG N . 16917 1 444 . 1 1 153 153 THR H H 1 10.666 . . 1 . . . . 153 THR H . 16917 1 445 . 1 1 153 153 THR CA C 13 62.774 . . 1 . . . . 153 THR CA . 16917 1 446 . 1 1 153 153 THR CB C 13 70.441 . . 1 . . . . 153 THR CB . 16917 1 447 . 1 1 153 153 THR N N 15 107.199 . . 1 . . . . 153 THR N . 16917 1 448 . 1 1 154 154 PRO CA C 13 62.751 . . 1 . . . . 154 PRO CA . 16917 1 449 . 1 1 154 154 PRO CB C 13 32.224 . . 1 . . . . 154 PRO CB . 16917 1 450 . 1 1 155 155 ILE H H 1 9.168 . . 1 . . . . 155 ILE H . 16917 1 451 . 1 1 155 155 ILE CA C 13 60.884 . . 1 . . . . 155 ILE CA . 16917 1 452 . 1 1 155 155 ILE CB C 13 40.411 . . 1 . . . . 155 ILE CB . 16917 1 453 . 1 1 155 155 ILE N N 15 126.248 . . 1 . . . . 155 ILE N . 16917 1 454 . 1 1 156 156 ILE H H 1 9.202 . . 1 . . . . 156 ILE H . 16917 1 455 . 1 1 156 156 ILE CA C 13 60.238 . . 1 . . . . 156 ILE CA . 16917 1 456 . 1 1 156 156 ILE CB C 13 39.387 . . 1 . . . . 156 ILE CB . 16917 1 457 . 1 1 156 156 ILE N N 15 129.755 . . 1 . . . . 156 ILE N . 16917 1 458 . 1 1 157 157 ALA H H 1 8.593 . . 1 . . . . 157 ALA H . 16917 1 459 . 1 1 157 157 ALA CA C 13 51.784 . . 1 . . . . 157 ALA CA . 16917 1 460 . 1 1 157 157 ALA CB C 13 21.174 . . 1 . . . . 157 ALA CB . 16917 1 461 . 1 1 157 157 ALA N N 15 130.477 . . 1 . . . . 157 ALA N . 16917 1 462 . 1 1 158 158 VAL H H 1 8.208 . . 1 . . . . 158 VAL H . 16917 1 463 . 1 1 158 158 VAL CA C 13 60.994 . . 1 . . . . 158 VAL CA . 16917 1 464 . 1 1 158 158 VAL CB C 13 32.348 . . 1 . . . . 158 VAL CB . 16917 1 465 . 1 1 158 158 VAL N N 15 122.633 . . 1 . . . . 158 VAL N . 16917 1 466 . 1 1 159 159 SER H H 1 8.330 . . 1 . . . . 159 SER H . 16917 1 467 . 1 1 159 159 SER CA C 13 56.776 . . 1 . . . . 159 SER CA . 16917 1 468 . 1 1 159 159 SER CB C 13 65.621 . . 1 . . . . 159 SER CB . 16917 1 469 . 1 1 159 159 SER N N 15 119.098 . . 1 . . . . 159 SER N . 16917 1 470 . 1 1 160 160 GLY H H 1 8.646 . . 1 . . . . 160 GLY H . 16917 1 471 . 1 1 160 160 GLY CA C 13 45.118 . . 1 . . . . 160 GLY CA . 16917 1 472 . 1 1 160 160 GLY N N 15 111.890 . . 1 . . . . 160 GLY N . 16917 1 473 . 1 1 161 161 HIS H H 1 8.197 . . 1 . . . . 161 HIS H . 16917 1 474 . 1 1 161 161 HIS CA C 13 56.414 . . 1 . . . . 161 HIS CA . 16917 1 475 . 1 1 161 161 HIS CB C 13 31.837 . . 1 . . . . 161 HIS CB . 16917 1 476 . 1 1 161 161 HIS N N 15 119.396 . . 1 . . . . 161 HIS N . 16917 1 477 . 1 1 162 162 ASP H H 1 8.804 . . 1 . . . . 162 ASP H . 16917 1 478 . 1 1 162 162 ASP CA C 13 52.667 . . 1 . . . . 162 ASP CA . 16917 1 479 . 1 1 162 162 ASP CB C 13 41.450 . . 1 . . . . 162 ASP CB . 16917 1 480 . 1 1 162 162 ASP N N 15 121.613 . . 1 . . . . 162 ASP N . 16917 1 481 . 1 1 163 163 PRO CA C 13 64.215 . . 1 . . . . 163 PRO CA . 16917 1 482 . 1 1 163 163 PRO CB C 13 31.666 . . 1 . . . . 163 PRO CB . 16917 1 483 . 1 1 164 164 GLY H H 1 8.714 . . 1 . . . . 164 GLY H . 16917 1 484 . 1 1 164 164 GLY CA C 13 44.877 . . 1 . . . . 164 GLY CA . 16917 1 485 . 1 1 164 164 GLY N N 15 108.357 . . 1 . . . . 164 GLY N . 16917 1 486 . 1 1 165 165 SER H H 1 7.891 . . 1 . . . . 165 SER H . 16917 1 487 . 1 1 165 165 SER CA C 13 58.772 . . 1 . . . . 165 SER CA . 16917 1 488 . 1 1 165 165 SER CB C 13 65.293 . . 1 . . . . 165 SER CB . 16917 1 489 . 1 1 165 165 SER N N 15 115.824 . . 1 . . . . 165 SER N . 16917 1 490 . 1 1 166 166 GLU H H 1 8.994 . . 1 . . . . 166 GLU H . 16917 1 491 . 1 1 166 166 GLU CA C 13 59.002 . . 1 . . . . 166 GLU CA . 16917 1 492 . 1 1 166 166 GLU CB C 13 29.082 . . 1 . . . . 166 GLU CB . 16917 1 493 . 1 1 166 166 GLU N N 15 122.674 . . 1 . . . . 166 GLU N . 16917 1 494 . 1 1 167 167 GLU H H 1 8.963 . . 1 . . . . 167 GLU H . 16917 1 495 . 1 1 167 167 GLU CA C 13 60.151 . . 1 . . . . 167 GLU CA . 16917 1 496 . 1 1 167 167 GLU CB C 13 28.417 . . 1 . . . . 167 GLU CB . 16917 1 497 . 1 1 167 167 GLU N N 15 120.080 . . 1 . . . . 167 GLU N . 16917 1 498 . 1 1 168 168 ALA H H 1 7.812 . . 1 . . . . 168 ALA H . 16917 1 499 . 1 1 168 168 ALA CA C 13 54.749 . . 1 . . . . 168 ALA CA . 16917 1 500 . 1 1 168 168 ALA CB C 13 18.264 . . 1 . . . . 168 ALA CB . 16917 1 501 . 1 1 168 168 ALA N N 15 122.556 . . 1 . . . . 168 ALA N . 16917 1 502 . 1 1 169 169 ARG H H 1 7.850 . . 1 . . . . 169 ARG H . 16917 1 503 . 1 1 169 169 ARG CA C 13 59.226 . . 1 . . . . 169 ARG CA . 16917 1 504 . 1 1 169 169 ARG CB C 13 29.777 . . 1 . . . . 169 ARG CB . 16917 1 505 . 1 1 169 169 ARG N N 15 120.260 . . 1 . . . . 169 ARG N . 16917 1 506 . 1 1 170 170 GLU H H 1 8.254 . . 1 . . . . 170 GLU H . 16917 1 507 . 1 1 170 170 GLU CA C 13 58.685 . . 1 . . . . 170 GLU CA . 16917 1 508 . 1 1 170 170 GLU CB C 13 29.184 . . 1 . . . . 170 GLU CB . 16917 1 509 . 1 1 170 170 GLU N N 15 119.513 . . 1 . . . . 170 GLU N . 16917 1 510 . 1 1 171 171 THR H H 1 7.865 . . 1 . . . . 171 THR H . 16917 1 511 . 1 1 171 171 THR CA C 13 65.687 . . 1 . . . . 171 THR CA . 16917 1 512 . 1 1 171 171 THR CB C 13 68.728 . . 1 . . . . 171 THR CB . 16917 1 513 . 1 1 171 171 THR N N 15 113.113 . . 1 . . . . 171 THR N . 16917 1 514 . 1 1 172 172 ILE H H 1 7.192 . . 1 . . . . 172 ILE H . 16917 1 515 . 1 1 172 172 ILE CA C 13 62.658 . . 1 . . . . 172 ILE CA . 16917 1 516 . 1 1 172 172 ILE CB C 13 37.290 . . 1 . . . . 172 ILE CB . 16917 1 517 . 1 1 172 172 ILE N N 15 122.639 . . 1 . . . . 172 ILE N . 16917 1 518 . 1 1 173 173 GLN H H 1 7.853 . . 1 . . . . 173 GLN H . 16917 1 519 . 1 1 173 173 GLN CA C 13 58.227 . . 1 . . . . 173 GLN CA . 16917 1 520 . 1 1 173 173 GLN CB C 13 28.309 . . 1 . . . . 173 GLN CB . 16917 1 521 . 1 1 173 173 GLN N N 15 120.784 . . 1 . . . . 173 GLN N . 16917 1 522 . 1 1 174 174 ALA H H 1 7.918 . . 1 . . . . 174 ALA H . 16917 1 523 . 1 1 174 174 ALA CA C 13 53.586 . . 1 . . . . 174 ALA CA . 16917 1 524 . 1 1 174 174 ALA CB C 13 19.197 . . 1 . . . . 174 ALA CB . 16917 1 525 . 1 1 174 174 ALA N N 15 119.354 . . 1 . . . . 174 ALA N . 16917 1 526 . 1 1 175 175 GLY H H 1 7.661 . . 1 . . . . 175 GLY H . 16917 1 527 . 1 1 175 175 GLY CA C 13 45.091 . . 1 . . . . 175 GLY CA . 16917 1 528 . 1 1 175 175 GLY N N 15 101.548 . . 1 . . . . 175 GLY N . 16917 1 529 . 1 1 176 176 MET H H 1 8.022 . . 1 . . . . 176 MET H . 16917 1 530 . 1 1 176 176 MET CA C 13 57.248 . . 1 . . . . 176 MET CA . 16917 1 531 . 1 1 176 176 MET CB C 13 32.523 . . 1 . . . . 176 MET CB . 16917 1 532 . 1 1 176 176 MET N N 15 119.035 . . 1 . . . . 176 MET N . 16917 1 533 . 1 1 177 177 ASP H H 1 9.321 . . 1 . . . . 177 ASP H . 16917 1 534 . 1 1 177 177 ASP CA C 13 56.926 . . 1 . . . . 177 ASP CA . 16917 1 535 . 1 1 177 177 ASP CB C 13 44.153 . . 1 . . . . 177 ASP CB . 16917 1 536 . 1 1 177 177 ASP N N 15 118.522 . . 1 . . . . 177 ASP N . 16917 1 537 . 1 1 178 178 ALA H H 1 7.660 . . 1 . . . . 178 ALA H . 16917 1 538 . 1 1 178 178 ALA CA C 13 51.224 . . 1 . . . . 178 ALA CA . 16917 1 539 . 1 1 178 178 ALA CB C 13 22.929 . . 1 . . . . 178 ALA CB . 16917 1 540 . 1 1 178 178 ALA N N 15 116.629 . . 1 . . . . 178 ALA N . 16917 1 541 . 1 1 179 179 PHE H H 1 8.449 . . 1 . . . . 179 PHE H . 16917 1 542 . 1 1 179 179 PHE CA C 13 57.334 . . 1 . . . . 179 PHE CA . 16917 1 543 . 1 1 179 179 PHE CB C 13 42.625 . . 1 . . . . 179 PHE CB . 16917 1 544 . 1 1 179 179 PHE N N 15 120.595 . . 1 . . . . 179 PHE N . 16917 1 545 . 1 1 180 180 LEU H H 1 8.764 . . 1 . . . . 180 LEU H . 16917 1 546 . 1 1 180 180 LEU CA C 13 53.337 . . 1 . . . . 180 LEU CA . 16917 1 547 . 1 1 180 180 LEU CB C 13 46.249 . . 1 . . . . 180 LEU CB . 16917 1 548 . 1 1 180 180 LEU N N 15 126.484 . . 1 . . . . 180 LEU N . 16917 1 549 . 1 1 181 181 ASP H H 1 8.035 . . 1 . . . . 181 ASP H . 16917 1 550 . 1 1 181 181 ASP CA C 13 53.251 . . 1 . . . . 181 ASP CA . 16917 1 551 . 1 1 181 181 ASP CB C 13 42.266 . . 1 . . . . 181 ASP CB . 16917 1 552 . 1 1 181 181 ASP N N 15 119.193 . . 1 . . . . 181 ASP N . 16917 1 553 . 1 1 182 182 LYS H H 1 7.612 . . 1 . . . . 182 LYS H . 16917 1 554 . 1 1 182 182 LYS CA C 13 54.619 . . 1 . . . . 182 LYS CA . 16917 1 555 . 1 1 182 182 LYS CB C 13 32.222 . . 1 . . . . 182 LYS CB . 16917 1 556 . 1 1 182 182 LYS N N 15 118.432 . . 1 . . . . 182 LYS N . 16917 1 557 . 1 1 183 183 SER H H 1 8.150 . . 1 . . . . 183 SER H . 16917 1 558 . 1 1 183 183 SER CA C 13 59.982 . . 1 . . . . 183 SER CA . 16917 1 559 . 1 1 183 183 SER CB C 13 63.527 . . 1 . . . . 183 SER CB . 16917 1 560 . 1 1 183 183 SER N N 15 113.695 . . 1 . . . . 183 SER N . 16917 1 561 . 1 1 184 184 LEU H H 1 8.352 . . 1 . . . . 184 LEU H . 16917 1 562 . 1 1 184 184 LEU CA C 13 56.435 . . 1 . . . . 184 LEU CA . 16917 1 563 . 1 1 184 184 LEU CB C 13 39.202 . . 1 . . . . 184 LEU CB . 16917 1 564 . 1 1 184 184 LEU N N 15 115.626 . . 1 . . . . 184 LEU N . 16917 1 565 . 1 1 185 185 ASN H H 1 8.866 . . 1 . . . . 185 ASN H . 16917 1 566 . 1 1 185 185 ASN CA C 13 56.421 . . 1 . . . . 185 ASN CA . 16917 1 567 . 1 1 185 185 ASN CB C 13 38.186 . . 1 . . . . 185 ASN CB . 16917 1 568 . 1 1 185 185 ASN N N 15 120.892 . . 1 . . . . 185 ASN N . 16917 1 569 . 1 1 186 186 GLN H H 1 8.566 . . 1 . . . . 186 GLN H . 16917 1 570 . 1 1 186 186 GLN CA C 13 55.578 . . 1 . . . . 186 GLN CA . 16917 1 571 . 1 1 186 186 GLN CB C 13 27.187 . . 1 . . . . 186 GLN CB . 16917 1 572 . 1 1 186 186 GLN N N 15 115.467 . . 1 . . . . 186 GLN N . 16917 1 573 . 1 1 187 187 LEU H H 1 7.201 . . 1 . . . . 187 LEU H . 16917 1 574 . 1 1 187 187 LEU CA C 13 59.349 . . 1 . . . . 187 LEU CA . 16917 1 575 . 1 1 187 187 LEU CB C 13 42.349 . . 1 . . . . 187 LEU CB . 16917 1 576 . 1 1 187 187 LEU N N 15 120.008 . . 1 . . . . 187 LEU N . 16917 1 577 . 1 1 188 188 ALA H H 1 8.746 . . 1 . . . . 188 ALA H . 16917 1 578 . 1 1 188 188 ALA CA C 13 55.706 . . 1 . . . . 188 ALA CA . 16917 1 579 . 1 1 188 188 ALA CB C 13 17.623 . . 1 . . . . 188 ALA CB . 16917 1 580 . 1 1 188 188 ALA N N 15 118.561 . . 1 . . . . 188 ALA N . 16917 1 581 . 1 1 189 189 ASN H H 1 7.688 . . 1 . . . . 189 ASN H . 16917 1 582 . 1 1 189 189 ASN CA C 13 56.006 . . 1 . . . . 189 ASN CA . 16917 1 583 . 1 1 189 189 ASN CB C 13 37.897 . . 1 . . . . 189 ASN CB . 16917 1 584 . 1 1 189 189 ASN N N 15 115.315 . . 1 . . . . 189 ASN N . 16917 1 585 . 1 1 190 190 VAL H H 1 8.165 . . 1 . . . . 190 VAL H . 16917 1 586 . 1 1 190 190 VAL CA C 13 66.101 . . 1 . . . . 190 VAL CA . 16917 1 587 . 1 1 190 190 VAL N N 15 120.421 . . 1 . . . . 190 VAL N . 16917 1 588 . 1 1 191 191 ILE H H 1 8.170 . . 1 . . . . 191 ILE H . 16917 1 589 . 1 1 191 191 ILE CA C 13 63.262 . . 1 . . . . 191 ILE CA . 16917 1 590 . 1 1 191 191 ILE CB C 13 35.452 . . 1 . . . . 191 ILE CB . 16917 1 591 . 1 1 191 191 ILE N N 15 119.731 . . 1 . . . . 191 ILE N . 16917 1 592 . 1 1 192 192 ARG H H 1 7.825 . . 1 . . . . 192 ARG H . 16917 1 593 . 1 1 192 192 ARG CA C 13 60.036 . . 1 . . . . 192 ARG CA . 16917 1 594 . 1 1 192 192 ARG CB C 13 29.639 . . 1 . . . . 192 ARG CB . 16917 1 595 . 1 1 192 192 ARG N N 15 119.116 . . 1 . . . . 192 ARG N . 16917 1 596 . 1 1 193 193 GLU H H 1 7.932 . . 1 . . . . 193 GLU H . 16917 1 597 . 1 1 193 193 GLU CA C 13 59.515 . . 1 . . . . 193 GLU CA . 16917 1 598 . 1 1 193 193 GLU CB C 13 29.135 . . 1 . . . . 193 GLU CB . 16917 1 599 . 1 1 193 193 GLU N N 15 120.781 . . 1 . . . . 193 GLU N . 16917 1 600 . 1 1 194 194 ILE H H 1 8.195 . . 1 . . . . 194 ILE H . 16917 1 601 . 1 1 194 194 ILE CA C 13 65.300 . . 1 . . . . 194 ILE CA . 16917 1 602 . 1 1 194 194 ILE CB C 13 40.056 . . 1 . . . . 194 ILE CB . 16917 1 603 . 1 1 194 194 ILE N N 15 120.874 . . 1 . . . . 194 ILE N . 16917 1 604 . 1 1 195 195 GLU H H 1 8.488 . . 1 . . . . 195 GLU H . 16917 1 605 . 1 1 195 195 GLU CA C 13 58.797 . . 1 . . . . 195 GLU CA . 16917 1 606 . 1 1 195 195 GLU CB C 13 28.867 . . 1 . . . . 195 GLU CB . 16917 1 607 . 1 1 195 195 GLU N N 15 118.969 . . 1 . . . . 195 GLU N . 16917 1 608 . 1 1 196 196 SER H H 1 8.136 . . 1 . . . . 196 SER H . 16917 1 609 . 1 1 196 196 SER CA C 13 61.009 . . 1 . . . . 196 SER CA . 16917 1 610 . 1 1 196 196 SER CB C 13 63.171 . . 1 . . . . 196 SER CB . 16917 1 611 . 1 1 196 196 SER N N 15 114.900 . . 1 . . . . 196 SER N . 16917 1 612 . 1 1 197 197 LYS H H 1 7.630 . . 1 . . . . 197 LYS H . 16917 1 613 . 1 1 197 197 LYS CA C 13 57.548 . . 1 . . . . 197 LYS CA . 16917 1 614 . 1 1 197 197 LYS CB C 13 32.561 . . 1 . . . . 197 LYS CB . 16917 1 615 . 1 1 197 197 LYS N N 15 120.266 . . 1 . . . . 197 LYS N . 16917 1 616 . 1 1 198 198 ARG H H 1 7.753 . . 1 . . . . 198 ARG H . 16917 1 617 . 1 1 198 198 ARG CA C 13 57.768 . . 1 . . . . 198 ARG CA . 16917 1 618 . 1 1 198 198 ARG CB C 13 30.307 . . 1 . . . . 198 ARG CB . 16917 1 619 . 1 1 198 198 ARG N N 15 119.647 . . 1 . . . . 198 ARG N . 16917 1 620 . 1 1 199 199 HIS H H 1 8.084 . . 1 . . . . 199 HIS H . 16917 1 621 . 1 1 199 199 HIS CA C 13 58.970 . . 1 . . . . 199 HIS CA . 16917 1 622 . 1 1 199 199 HIS CB C 13 30.214 . . 1 . . . . 199 HIS CB . 16917 1 623 . 1 1 199 199 HIS N N 15 118.082 . . 1 . . . . 199 HIS N . 16917 1 624 . 1 1 200 200 LEU H H 1 7.776 . . 1 . . . . 200 LEU H . 16917 1 625 . 1 1 200 200 LEU CA C 13 55.536 . . 1 . . . . 200 LEU CA . 16917 1 626 . 1 1 200 200 LEU CB C 13 42.127 . . 1 . . . . 200 LEU CB . 16917 1 627 . 1 1 200 200 LEU N N 15 121.434 . . 1 . . . . 200 LEU N . 16917 1 628 . 1 1 201 201 GLU H H 1 8.167 . . 1 . . . . 201 GLU H . 16917 1 629 . 1 1 201 201 GLU CA C 13 57.100 . . 1 . . . . 201 GLU CA . 16917 1 630 . 1 1 201 201 GLU CB C 13 29.930 . . 1 . . . . 201 GLU CB . 16917 1 631 . 1 1 201 201 GLU N N 15 120.028 . . 1 . . . . 201 GLU N . 16917 1 stop_ save_ ############################### # Chemical shift anisotropy # ############################### save_chem_shift_anisotropy_1 _Chem_shift_anisotropy.Sf_category chem_shift_anisotropy _Chem_shift_anisotropy.Sf_framecode chem_shift_anisotropy_1 _Chem_shift_anisotropy.Entry_ID 16917 _Chem_shift_anisotropy.ID 1 _Chem_shift_anisotropy.Sample_condition_list_ID 1 _Chem_shift_anisotropy.Sample_condition_list_label $sample_conditions_1 _Chem_shift_anisotropy.Spectrometer_frequency_1H . _Chem_shift_anisotropy.Val_units ppm _Chem_shift_anisotropy.Details . _Chem_shift_anisotropy.Text_data_format . _Chem_shift_anisotropy.Text_data . loop_ _CS_anisotropy_experiment.Experiment_ID _CS_anisotropy_experiment.Experiment_name _CS_anisotropy_experiment.Sample_ID _CS_anisotropy_experiment.Sample_label _CS_anisotropy_experiment.Sample_state _CS_anisotropy_experiment.Entry_ID _CS_anisotropy_experiment.Chem_shift_anisotropy_ID . . . $sample_1 . 16917 1 stop_ loop_ _CS_anisotropy.ID _CS_anisotropy.Assembly_atom_ID _CS_anisotropy.Entity_assembly_ID _CS_anisotropy.Entity_ID _CS_anisotropy.Comp_index_ID _CS_anisotropy.Seq_ID _CS_anisotropy.Comp_ID _CS_anisotropy.Atom_ID _CS_anisotropy.Atom_type _CS_anisotropy.Atom_isotope_number _CS_anisotropy.Val _CS_anisotropy.Val_err _CS_anisotropy.Principal_value_sigma_11_val _CS_anisotropy.Principal_value_sigma_22_val _CS_anisotropy.Principal_value_sigma_33_val _CS_anisotropy.Principal_Euler_angle_alpha_val _CS_anisotropy.Principal_Euler_angle_beta_val _CS_anisotropy.Principal_Euler_angle_gamma_val _CS_anisotropy.Bond_length _CS_anisotropy.Resonance_ID _CS_anisotropy.Auth_entity_assembly_ID _CS_anisotropy.Auth_seq_ID _CS_anisotropy.Auth_comp_ID _CS_anisotropy.Auth_atom_ID _CS_anisotropy.Entry_ID _CS_anisotropy.Chem_shift_anisotropy_ID 1 . 1 1 14 14 LEU N N 15 -170.0 . . . . . . . . . . . . . 16917 1 2 . 1 1 17 17 ARG N N 15 -170.0 . . . . . . . . . . . . . 16917 1 3 . 1 1 18 18 GLY N N 15 -170.0 . . . . . . . . . . . . . 16917 1 4 . 1 1 21 21 MET N N 15 -170.0 . . . . . . . . . . . . . 16917 1 5 . 1 1 22 22 ALA N N 15 -170.0 . . . . . . . . . . . . . 16917 1 6 . 1 1 27 27 GLU N N 15 -170.0 . . . . . . . . . . . . . 16917 1 7 . 1 1 28 28 SER N N 15 -170.0 . . . . . . . . . . . . . 16917 1 8 . 1 1 35 35 VAL N N 15 -170.0 . . . . . . . . . . . . . 16917 1 9 . 1 1 43 43 GLY N N 15 -170.0 . . . . . . . . . . . . . 16917 1 10 . 1 1 53 53 LYS N N 15 -170.0 . . . . . . . . . . . . . 16917 1 11 . 1 1 55 55 SER N N 15 -170.0 . . . . . . . . . . . . . 16917 1 12 . 1 1 56 56 ASP N N 15 -170.0 . . . . . . . . . . . . . 16917 1 13 . 1 1 59 59 PHE N N 15 -170.0 . . . . . . . . . . . . . 16917 1 14 . 1 1 60 60 LEU N N 15 -170.0 . . . . . . . . . . . . . 16917 1 15 . 1 1 61 61 ARG N N 15 -170.0 . . . . . . . . . . . . . 16917 1 16 . 1 1 62 62 GLY N N 15 -170.0 . . . . . . . . . . . . . 16917 1 17 . 1 1 63 63 LYS N N 15 -170.0 . . . . . . . . . . . . . 16917 1 18 . 1 1 64 64 ARG N N 15 -170.0 . . . . . . . . . . . . . 16917 1 19 . 1 1 66 66 LEU N N 15 -170.0 . . . . . . . . . . . . . 16917 1 20 . 1 1 67 67 VAL N N 15 -170.0 . . . . . . . . . . . . . 16917 1 21 . 1 1 68 68 VAL N N 15 -170.0 . . . . . . . . . . . . . 16917 1 22 . 1 1 69 69 ASP N N 15 -170.0 . . . . . . . . . . . . . 16917 1 23 . 1 1 70 70 ASP N N 15 -170.0 . . . . . . . . . . . . . 16917 1 24 . 1 1 74 74 SER N N 15 -170.0 . . . . . . . . . . . . . 16917 1 25 . 1 1 75 75 ARG N N 15 -170.0 . . . . . . . . . . . . . 16917 1 26 . 1 1 76 76 LYS N N 15 -170.0 . . . . . . . . . . . . . 16917 1 27 . 1 1 77 77 VAL N N 15 -170.0 . . . . . . . . . . . . . 16917 1 28 . 1 1 79 79 THR N N 15 -170.0 . . . . . . . . . . . . . 16917 1 29 . 1 1 80 80 GLY N N 15 -170.0 . . . . . . . . . . . . . 16917 1 30 . 1 1 81 81 LYS N N 15 -170.0 . . . . . . . . . . . . . 16917 1 31 . 1 1 84 84 LYS N N 15 -170.0 . . . . . . . . . . . . . 16917 1 32 . 1 1 85 85 MET N N 15 -170.0 . . . . . . . . . . . . . 16917 1 33 . 1 1 86 86 GLY N N 15 -170.0 . . . . . . . . . . . . . 16917 1 34 . 1 1 87 87 VAL N N 15 -170.0 . . . . . . . . . . . . . 16917 1 35 . 1 1 88 88 SER N N 15 -170.0 . . . . . . . . . . . . . 16917 1 36 . 1 1 89 89 GLU N N 15 -170.0 . . . . . . . . . . . . . 16917 1 37 . 1 1 90 90 VAL N N 15 -170.0 . . . . . . . . . . . . . 16917 1 38 . 1 1 91 91 GLU N N 15 -170.0 . . . . . . . . . . . . . 16917 1 39 . 1 1 92 92 GLN N N 15 -170.0 . . . . . . . . . . . . . 16917 1 40 . 1 1 93 93 CYS N N 15 -170.0 . . . . . . . . . . . . . 16917 1 41 . 1 1 95 95 SER N N 15 -170.0 . . . . . . . . . . . . . 16917 1 42 . 1 1 99 99 ALA N N 15 -170.0 . . . . . . . . . . . . . 16917 1 43 . 1 1 101 101 ARG N N 15 -170.0 . . . . . . . . . . . . . 16917 1 44 . 1 1 102 102 LEU N N 15 -170.0 . . . . . . . . . . . . . 16917 1 45 . 1 1 103 103 VAL N N 15 -170.0 . . . . . . . . . . . . . 16917 1 46 . 1 1 104 104 THR N N 15 -170.0 . . . . . . . . . . . . . 16917 1 47 . 1 1 106 106 GLY N N 15 -170.0 . . . . . . . . . . . . . 16917 1 48 . 1 1 108 108 THR N N 15 -170.0 . . . . . . . . . . . . . 16917 1 49 . 1 1 114 114 GLY N N 15 -170.0 . . . . . . . . . . . . . 16917 1 50 . 1 1 115 115 SER N N 15 -170.0 . . . . . . . . . . . . . 16917 1 51 . 1 1 121 121 PHE N N 15 -170.0 . . . . . . . . . . . . . 16917 1 52 . 1 1 122 122 ASP N N 15 -170.0 . . . . . . . . . . . . . 16917 1 53 . 1 1 123 123 TYR N N 15 -170.0 . . . . . . . . . . . . . 16917 1 54 . 1 1 125 125 PHE N N 15 -170.0 . . . . . . . . . . . . . 16917 1 55 . 1 1 126 126 MET N N 15 -170.0 . . . . . . . . . . . . . 16917 1 56 . 1 1 127 127 ASP N N 15 -170.0 . . . . . . . . . . . . . 16917 1 57 . 1 1 138 138 ALA N N 15 -170.0 . . . . . . . . . . . . . 16917 1 58 . 1 1 139 139 THR N N 15 -170.0 . . . . . . . . . . . . . 16917 1 59 . 1 1 142 142 ILE N N 15 -170.0 . . . . . . . . . . . . . 16917 1 60 . 1 1 143 143 ARG N N 15 -170.0 . . . . . . . . . . . . . 16917 1 61 . 1 1 144 144 LYS N N 15 -170.0 . . . . . . . . . . . . . 16917 1 62 . 1 1 145 145 VAL N N 15 -170.0 . . . . . . . . . . . . . 16917 1 63 . 1 1 147 147 LYS N N 15 -170.0 . . . . . . . . . . . . . 16917 1 64 . 1 1 149 149 TYR N N 15 -170.0 . . . . . . . . . . . . . 16917 1 65 . 1 1 150 150 GLY N N 15 -170.0 . . . . . . . . . . . . . 16917 1 66 . 1 1 151 151 VAL N N 15 -170.0 . . . . . . . . . . . . . 16917 1 67 . 1 1 152 152 ARG N N 15 -170.0 . . . . . . . . . . . . . 16917 1 68 . 1 1 153 153 THR N N 15 -170.0 . . . . . . . . . . . . . 16917 1 69 . 1 1 155 155 ILE N N 15 -170.0 . . . . . . . . . . . . . 16917 1 70 . 1 1 156 156 ILE N N 15 -170.0 . . . . . . . . . . . . . 16917 1 71 . 1 1 157 157 ALA N N 15 -170.0 . . . . . . . . . . . . . 16917 1 72 . 1 1 160 160 GLY N N 15 -170.0 . . . . . . . . . . . . . 16917 1 73 . 1 1 162 162 ASP N N 15 -170.0 . . . . . . . . . . . . . 16917 1 74 . 1 1 164 164 GLY N N 15 -170.0 . . . . . . . . . . . . . 16917 1 75 . 1 1 165 165 SER N N 15 -170.0 . . . . . . . . . . . . . 16917 1 76 . 1 1 166 166 GLU N N 15 -170.0 . . . . . . . . . . . . . 16917 1 77 . 1 1 167 167 GLU N N 15 -170.0 . . . . . . . . . . . . . 16917 1 78 . 1 1 170 170 GLU N N 15 -170.0 . . . . . . . . . . . . . 16917 1 79 . 1 1 172 172 ILE N N 15 -170.0 . . . . . . . . . . . . . 16917 1 80 . 1 1 174 174 ALA N N 15 -170.0 . . . . . . . . . . . . . 16917 1 81 . 1 1 175 175 GLY N N 15 -170.0 . . . . . . . . . . . . . 16917 1 82 . 1 1 177 177 ASP N N 15 -170.0 . . . . . . . . . . . . . 16917 1 83 . 1 1 178 178 ALA N N 15 -170.0 . . . . . . . . . . . . . 16917 1 84 . 1 1 179 179 PHE N N 15 -170.0 . . . . . . . . . . . . . 16917 1 85 . 1 1 180 180 LEU N N 15 -170.0 . . . . . . . . . . . . . 16917 1 86 . 1 1 183 183 SER N N 15 -170.0 . . . . . . . . . . . . . 16917 1 87 . 1 1 185 185 ASN N N 15 -170.0 . . . . . . . . . . . . . 16917 1 88 . 1 1 186 186 GLN N N 15 -170.0 . . . . . . . . . . . . . 16917 1 89 . 1 1 187 187 LEU N N 15 -170.0 . . . . . . . . . . . . . 16917 1 90 . 1 1 189 189 ASN N N 15 -170.0 . . . . . . . . . . . . . 16917 1 91 . 1 1 192 192 ARG N N 15 -170.0 . . . . . . . . . . . . . 16917 1 92 . 1 1 195 195 GLU N N 15 -170.0 . . . . . . . . . . . . . 16917 1 93 . 1 1 196 196 SER N N 15 -170.0 . . . . . . . . . . . . . 16917 1 94 . 1 1 197 197 LYS N N 15 -170.0 . . . . . . . . . . . . . 16917 1 95 . 1 1 200 200 LEU N N 15 -170.0 . . . . . . . . . . . . . 16917 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronucl_NOEs_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronucl_NOEs_1 _Heteronucl_NOE_list.Entry_ID 16917 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600.053 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type height _Heteronucl_NOE_list.NOE_ref_val . _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID . . . $sample_1 . 16917 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 14 14 LEU N N 15 . 1 1 14 14 LEU H H 1 -0.12415 0.04776 . . . . . . . . . . 16917 1 2 . 1 1 17 17 ARG N N 15 . 1 1 17 17 ARG H H 1 0.63904 0.27755 . . . . . . . . . . 16917 1 3 . 1 1 18 18 GLY N N 15 . 1 1 18 18 GLY H H 1 0.70547 0.18118 . . . . . . . . . . 16917 1 4 . 1 1 21 21 MET N N 15 . 1 1 21 21 MET H H 1 0.12923 0.13449 . . . . . . . . . . 16917 1 5 . 1 1 22 22 ALA N N 15 . 1 1 22 22 ALA H H 1 -0.03904 0.1917 . . . . . . . . . . 16917 1 6 . 1 1 27 27 GLU N N 15 . 1 1 27 27 GLU H H 1 0.05316 0.11695 . . . . . . . . . . 16917 1 7 . 1 1 28 28 SER N N 15 . 1 1 28 28 SER H H 1 -0.08585 0.30136 . . . . . . . . . . 16917 1 8 . 1 1 35 35 VAL N N 15 . 1 1 35 35 VAL H H 1 -0.00258 0.1295 . . . . . . . . . . 16917 1 9 . 1 1 43 43 GLY N N 15 . 1 1 43 43 GLY H H 1 -0.05674 0.10931 . . . . . . . . . . 16917 1 10 . 1 1 53 53 LYS N N 15 . 1 1 53 53 LYS H H 1 -0.04147 0.0682 . . . . . . . . . . 16917 1 11 . 1 1 55 55 SER N N 15 . 1 1 55 55 SER H H 1 0.14451 0.13212 . . . . . . . . . . 16917 1 12 . 1 1 56 56 ASP N N 15 . 1 1 56 56 ASP H H 1 0.34122 0.11625 . . . . . . . . . . 16917 1 13 . 1 1 59 59 PHE N N 15 . 1 1 59 59 PHE H H 1 0.59699 0.03489 . . . . . . . . . . 16917 1 14 . 1 1 60 60 LEU N N 15 . 1 1 60 60 LEU H H 1 0.66584 0.04623 . . . . . . . . . . 16917 1 15 . 1 1 61 61 ARG N N 15 . 1 1 61 61 ARG H H 1 0.70785 0.03349 . . . . . . . . . . 16917 1 16 . 1 1 62 62 GLY N N 15 . 1 1 62 62 GLY H H 1 0.72624 0.08889 . . . . . . . . . . 16917 1 17 . 1 1 63 63 LYS N N 15 . 1 1 63 63 LYS H H 1 0.74508 0.04398 . . . . . . . . . . 16917 1 18 . 1 1 64 64 ARG N N 15 . 1 1 64 64 ARG H H 1 0.79922 0.07112 . . . . . . . . . . 16917 1 19 . 1 1 66 66 LEU N N 15 . 1 1 66 66 LEU H H 1 0.79964 0.08735 . . . . . . . . . . 16917 1 20 . 1 1 67 67 VAL N N 15 . 1 1 67 67 VAL H H 1 0.76734 0.07192 . . . . . . . . . . 16917 1 21 . 1 1 68 68 VAL N N 15 . 1 1 68 68 VAL H H 1 0.81756 0.06681 . . . . . . . . . . 16917 1 22 . 1 1 69 69 ASP N N 15 . 1 1 69 69 ASP H H 1 0.77575 0.05028 . . . . . . . . . . 16917 1 23 . 1 1 70 70 ASP N N 15 . 1 1 70 70 ASP H H 1 0.72078 0.08687 . . . . . . . . . . 16917 1 24 . 1 1 74 74 SER N N 15 . 1 1 74 74 SER H H 1 0.76107 0.04274 . . . . . . . . . . 16917 1 25 . 1 1 75 75 ARG N N 15 . 1 1 75 75 ARG H H 1 0.76648 0.05369 . . . . . . . . . . 16917 1 26 . 1 1 76 76 LYS N N 15 . 1 1 76 76 LYS H H 1 0.75556 0.04314 . . . . . . . . . . 16917 1 27 . 1 1 77 77 VAL N N 15 . 1 1 77 77 VAL H H 1 0.80021 0.05427 . . . . . . . . . . 16917 1 28 . 1 1 79 79 THR N N 15 . 1 1 79 79 THR H H 1 0.79656 0.05409 . . . . . . . . . . 16917 1 29 . 1 1 80 80 GLY N N 15 . 1 1 80 80 GLY H H 1 0.81368 0.05218 . . . . . . . . . . 16917 1 30 . 1 1 81 81 LYS N N 15 . 1 1 81 81 LYS H H 1 0.81023 0.03614 . . . . . . . . . . 16917 1 31 . 1 1 84 84 LYS N N 15 . 1 1 84 84 LYS H H 1 0.71839 0.03451 . . . . . . . . . . 16917 1 32 . 1 1 85 85 MET N N 15 . 1 1 85 85 MET H H 1 0.73254 0.0464 . . . . . . . . . . 16917 1 33 . 1 1 86 86 GLY N N 15 . 1 1 86 86 GLY H H 1 0.73806 0.04989 . . . . . . . . . . 16917 1 34 . 1 1 87 87 VAL N N 15 . 1 1 87 87 VAL H H 1 0.80815 0.0436 . . . . . . . . . . 16917 1 35 . 1 1 88 88 SER N N 15 . 1 1 88 88 SER H H 1 0.58585 0.05368 . . . . . . . . . . 16917 1 36 . 1 1 89 89 GLU N N 15 . 1 1 89 89 GLU H H 1 0.67749 0.03824 . . . . . . . . . . 16917 1 37 . 1 1 90 90 VAL N N 15 . 1 1 90 90 VAL H H 1 0.7415 0.04243 . . . . . . . . . . 16917 1 38 . 1 1 91 91 GLU N N 15 . 1 1 91 91 GLU H H 1 0.73341 0.07315 . . . . . . . . . . 16917 1 39 . 1 1 92 92 GLN N N 15 . 1 1 92 92 GLN H H 1 0.77794 0.05083 . . . . . . . . . . 16917 1 40 . 1 1 93 93 CYS N N 15 . 1 1 93 93 CYS H H 1 0.72022 0.0471 . . . . . . . . . . 16917 1 41 . 1 1 95 95 SER N N 15 . 1 1 95 95 SER H H 1 0.78132 0.03721 . . . . . . . . . . 16917 1 42 . 1 1 99 99 ALA N N 15 . 1 1 99 99 ALA H H 1 0.77971 0.0386 . . . . . . . . . . 16917 1 43 . 1 1 101 101 ARG N N 15 . 1 1 101 101 ARG H H 1 0.84799 0.05055 . . . . . . . . . . 16917 1 44 . 1 1 102 102 LEU N N 15 . 1 1 102 102 LEU H H 1 0.68804 0.06614 . . . . . . . . . . 16917 1 45 . 1 1 103 103 VAL N N 15 . 1 1 103 103 VAL H H 1 0.77749 0.06532 . . . . . . . . . . 16917 1 46 . 1 1 104 104 THR N N 15 . 1 1 104 104 THR H H 1 0.78659 0.06591 . . . . . . . . . . 16917 1 47 . 1 1 106 106 GLY N N 15 . 1 1 106 106 GLY H H 1 0.78967 0.05904 . . . . . . . . . . 16917 1 48 . 1 1 108 108 THR N N 15 . 1 1 108 108 THR H H 1 0.69304 0.04951 . . . . . . . . . . 16917 1 49 . 1 1 114 114 GLY N N 15 . 1 1 114 114 GLY H H 1 0.53022 0.09368 . . . . . . . . . . 16917 1 50 . 1 1 115 115 SER N N 15 . 1 1 115 115 SER H H 1 0.58376 0.0845 . . . . . . . . . . 16917 1 51 . 1 1 121 121 PHE N N 15 . 1 1 121 121 PHE H H 1 0.7241 0.07037 . . . . . . . . . . 16917 1 52 . 1 1 122 122 ASP N N 15 . 1 1 122 122 ASP H H 1 0.89876 0.08797 . . . . . . . . . . 16917 1 53 . 1 1 123 123 TYR N N 15 . 1 1 123 123 TYR H H 1 0.81267 0.05057 . . . . . . . . . . 16917 1 54 . 1 1 125 125 PHE N N 15 . 1 1 125 125 PHE H H 1 0.76219 0.08058 . . . . . . . . . . 16917 1 55 . 1 1 126 126 MET N N 15 . 1 1 126 126 MET H H 1 0.72109 0.08818 . . . . . . . . . . 16917 1 56 . 1 1 127 127 ASP N N 15 . 1 1 127 127 ASP H H 1 0.66467 0.08447 . . . . . . . . . . 16917 1 57 . 1 1 138 138 ALA N N 15 . 1 1 138 138 ALA H H 1 0.83443 0.05326 . . . . . . . . . . 16917 1 58 . 1 1 139 139 THR N N 15 . 1 1 139 139 THR H H 1 0.59191 0.12453 . . . . . . . . . . 16917 1 59 . 1 1 142 142 ILE N N 15 . 1 1 142 142 ILE H H 1 0.86716 0.10066 . . . . . . . . . . 16917 1 60 . 1 1 143 143 ARG N N 15 . 1 1 143 143 ARG H H 1 0.73302 0.10647 . . . . . . . . . . 16917 1 61 . 1 1 144 144 LYS N N 15 . 1 1 144 144 LYS H H 1 0.76488 0.04034 . . . . . . . . . . 16917 1 62 . 1 1 145 145 VAL N N 15 . 1 1 145 145 VAL H H 1 0.77169 0.05393 . . . . . . . . . . 16917 1 63 . 1 1 147 147 LYS N N 15 . 1 1 147 147 LYS H H 1 0.74624 0.0407 . . . . . . . . . . 16917 1 64 . 1 1 149 149 TYR N N 15 . 1 1 149 149 TYR H H 1 0.65205 0.05512 . . . . . . . . . . 16917 1 65 . 1 1 150 150 GLY N N 15 . 1 1 150 150 GLY H H 1 0.73764 0.05092 . . . . . . . . . . 16917 1 66 . 1 1 151 151 VAL N N 15 . 1 1 151 151 VAL H H 1 0.71783 0.05259 . . . . . . . . . . 16917 1 67 . 1 1 152 152 ARG N N 15 . 1 1 152 152 ARG H H 1 0.66343 0.05136 . . . . . . . . . . 16917 1 68 . 1 1 153 153 THR N N 15 . 1 1 153 153 THR H H 1 0.79923 0.10941 . . . . . . . . . . 16917 1 69 . 1 1 155 155 ILE N N 15 . 1 1 155 155 ILE H H 1 0.78825 0.08305 . . . . . . . . . . 16917 1 70 . 1 1 156 156 ILE N N 15 . 1 1 156 156 ILE H H 1 0.73945 0.07565 . . . . . . . . . . 16917 1 71 . 1 1 157 157 ALA N N 15 . 1 1 157 157 ALA H H 1 0.73299 0.06615 . . . . . . . . . . 16917 1 72 . 1 1 160 160 GLY N N 15 . 1 1 160 160 GLY H H 1 0.57247 0.18361 . . . . . . . . . . 16917 1 73 . 1 1 162 162 ASP N N 15 . 1 1 162 162 ASP H H 1 0.66802 0.11519 . . . . . . . . . . 16917 1 74 . 1 1 164 164 GLY N N 15 . 1 1 164 164 GLY H H 1 0.6835 0.12042 . . . . . . . . . . 16917 1 75 . 1 1 165 165 SER N N 15 . 1 1 165 165 SER H H 1 0.61013 0.15178 . . . . . . . . . . 16917 1 76 . 1 1 166 166 GLU N N 15 . 1 1 166 166 GLU H H 1 0.76194 0.24641 . . . . . . . . . . 16917 1 77 . 1 1 167 167 GLU N N 15 . 1 1 167 167 GLU H H 1 0.5773 0.11493 . . . . . . . . . . 16917 1 78 . 1 1 170 170 GLU N N 15 . 1 1 170 170 GLU H H 1 0.69634 0.0398 . . . . . . . . . . 16917 1 79 . 1 1 172 172 ILE N N 15 . 1 1 172 172 ILE H H 1 0.64295 0.05354 . . . . . . . . . . 16917 1 80 . 1 1 174 174 ALA N N 15 . 1 1 174 174 ALA H H 1 0.69294 0.04325 . . . . . . . . . . 16917 1 81 . 1 1 175 175 GLY N N 15 . 1 1 175 175 GLY H H 1 0.70183 0.11041 . . . . . . . . . . 16917 1 82 . 1 1 177 177 ASP N N 15 . 1 1 177 177 ASP H H 1 0.77969 0.09629 . . . . . . . . . . 16917 1 83 . 1 1 178 178 ALA N N 15 . 1 1 178 178 ALA H H 1 0.81159 0.03857 . . . . . . . . . . 16917 1 84 . 1 1 179 179 PHE N N 15 . 1 1 179 179 PHE H H 1 0.71346 0.05343 . . . . . . . . . . 16917 1 85 . 1 1 180 180 LEU N N 15 . 1 1 180 180 LEU H H 1 0.78998 0.05624 . . . . . . . . . . 16917 1 86 . 1 1 183 183 SER N N 15 . 1 1 183 183 SER H H 1 0.68704 0.04598 . . . . . . . . . . 16917 1 87 . 1 1 185 185 ASN N N 15 . 1 1 185 185 ASN H H 1 0.74223 0.09543 . . . . . . . . . . 16917 1 88 . 1 1 186 186 GLN N N 15 . 1 1 186 186 GLN H H 1 0.69147 0.136 . . . . . . . . . . 16917 1 89 . 1 1 187 187 LEU N N 15 . 1 1 187 187 LEU H H 1 0.77825 0.04082 . . . . . . . . . . 16917 1 90 . 1 1 189 189 ASN N N 15 . 1 1 189 189 ASN H H 1 0.74188 0.0314 . . . . . . . . . . 16917 1 91 . 1 1 192 192 ARG N N 15 . 1 1 192 192 ARG H H 1 0.78872 0.0431 . . . . . . . . . . 16917 1 92 . 1 1 195 195 GLU N N 15 . 1 1 195 195 GLU H H 1 0.77305 0.05128 . . . . . . . . . . 16917 1 93 . 1 1 196 196 SER N N 15 . 1 1 196 196 SER H H 1 0.65319 0.02717 . . . . . . . . . . 16917 1 94 . 1 1 197 197 LYS N N 15 . 1 1 197 197 LYS H H 1 0.66044 0.03475 . . . . . . . . . . 16917 1 95 . 1 1 200 200 LEU N N 15 . 1 1 200 200 LEU H H 1 0.45156 0.02538 . . . . . . . . . . 16917 1 stop_ save_ ############################ # Auto relaxation values # ############################ save_auto_relaxation_1 _Auto_relaxation_list.Sf_category auto_relaxation _Auto_relaxation_list.Sf_framecode auto_relaxation_1 _Auto_relaxation_list.Entry_ID 16917 _Auto_relaxation_list.ID 1 _Auto_relaxation_list.Sample_condition_list_ID 1 _Auto_relaxation_list.Sample_condition_list_label $sample_conditions_1 _Auto_relaxation_list.Temp_calibration_method methanol _Auto_relaxation_list.Temp_control_method 'single fid interleaving' _Auto_relaxation_list.Spectrometer_frequency_1H 600.053 _Auto_relaxation_list.Exact_field_strength 600.053 _Auto_relaxation_list.Common_relaxation_type_name R1 _Auto_relaxation_list.Relaxation_coherence_type Iz _Auto_relaxation_list.Relaxation_val_units s-1 _Auto_relaxation_list.Rex_units . _Auto_relaxation_list.Rex_field_strength . _Auto_relaxation_list.Details . _Auto_relaxation_list.Text_data_format . _Auto_relaxation_list.Text_data . loop_ _Auto_relaxation_experiment.Experiment_ID _Auto_relaxation_experiment.Experiment_name _Auto_relaxation_experiment.Sample_ID _Auto_relaxation_experiment.Sample_label _Auto_relaxation_experiment.Sample_state _Auto_relaxation_experiment.Entry_ID _Auto_relaxation_experiment.Auto_relaxation_list_ID . . . $sample_1 . 16917 1 stop_ loop_ _Auto_relaxation.ID _Auto_relaxation.Assembly_ID _Auto_relaxation.Assembly_atom_ID _Auto_relaxation.Entity_assembly_ID _Auto_relaxation.Entity_ID _Auto_relaxation.Comp_index_ID _Auto_relaxation.Seq_ID _Auto_relaxation.Comp_ID _Auto_relaxation.Atom_ID _Auto_relaxation.Atom_type _Auto_relaxation.Atom_isotope_number _Auto_relaxation.Auto_relaxation_val _Auto_relaxation.Auto_relaxation_val_err _Auto_relaxation.Rex_val _Auto_relaxation.Rex_val_err _Auto_relaxation.Resonance_ID _Auto_relaxation.Auth_entity_assembly_ID _Auto_relaxation.Auth_seq_ID _Auto_relaxation.Auth_comp_ID _Auto_relaxation.Auth_atom_ID _Auto_relaxation.Entry_ID _Auto_relaxation.Auto_relaxation_list_ID 1 . . 1 1 14 14 LEU N N 15 1.270579353 0.0306352346051 . . . . . . . 16917 1 2 . . 1 1 17 17 ARG N N 15 0.886468028493 0.0900207013178 . . . . . . . 16917 1 3 . . 1 1 18 18 GLY N N 15 0.743878820766 0.0562637709815 . . . . . . . 16917 1 4 . . 1 1 21 21 MET N N 15 1.40120120042 0.0721159111682 . . . . . . . 16917 1 5 . . 1 1 22 22 ALA N N 15 1.14005530339 0.0881261229041 . . . . . . . 16917 1 6 . . 1 1 27 27 GLU N N 15 1.42685705708 0.0734108291652 . . . . . . . 16917 1 7 . . 1 1 28 28 SER N N 15 1.19272973479 0.0827156776724 . . . . . . . 16917 1 8 . . 1 1 35 35 VAL N N 15 1.28671939151 0.033785708238 . . . . . . . 16917 1 9 . . 1 1 43 43 GLY N N 15 1.3041916914 0.0433960060801 . . . . . . . 16917 1 10 . . 1 1 53 53 LYS N N 15 1.16960232838 0.0318445467617 . . . . . . . 16917 1 11 . . 1 1 55 55 SER N N 15 1.19768468517 0.0504554838856 . . . . . . . 16917 1 12 . . 1 1 56 56 ASP N N 15 1.21777299028 0.0662145960851 . . . . . . . 16917 1 13 . . 1 1 59 59 PHE N N 15 1.08447981098 0.0117430177169 . . . . . . . 16917 1 14 . . 1 1 60 60 LEU N N 15 1.04138675797 0.0118744270776 . . . . . . . 16917 1 15 . . 1 1 61 61 ARG N N 15 0.945430984412 0.00918043447095 . . . . . . . 16917 1 16 . . 1 1 62 62 GLY N N 15 0.940625165951 0.044744419289 . . . . . . . 16917 1 17 . . 1 1 63 63 LYS N N 15 0.910155722933 0.00930612919592 . . . . . . . 16917 1 18 . . 1 1 64 64 ARG N N 15 0.881967064213 0.0157547781066 . . . . . . . 16917 1 19 . . 1 1 66 66 LEU N N 15 0.936223863116 0.0180707907347 . . . . . . . 16917 1 20 . . 1 1 67 67 VAL N N 15 0.954589990487 0.0137259323951 . . . . . . . 16917 1 21 . . 1 1 68 68 VAL N N 15 0.922025641102 0.0168770227322 . . . . . . . 16917 1 22 . . 1 1 69 69 ASP N N 15 0.922159460032 0.0180111435685 . . . . . . . 16917 1 23 . . 1 1 70 70 ASP N N 15 0.905722463284 0.0276082487384 . . . . . . . 16917 1 24 . . 1 1 74 74 SER N N 15 0.889195433358 0.00994134854944 . . . . . . . 16917 1 25 . . 1 1 75 75 ARG N N 15 0.938483350593 0.0154013062928 . . . . . . . 16917 1 26 . . 1 1 76 76 LYS N N 15 0.959657132888 0.00945578801741 . . . . . . . 16917 1 27 . . 1 1 77 77 VAL N N 15 0.936205261907 0.0109252563834 . . . . . . . 16917 1 28 . . 1 1 79 79 THR N N 15 0.860196942578 0.00803395242748 . . . . . . . 16917 1 29 . . 1 1 80 80 GLY N N 15 0.921347459663 0.00927763709634 . . . . . . . 16917 1 30 . . 1 1 81 81 LYS N N 15 0.954663430699 0.00671859333326 . . . . . . . 16917 1 31 . . 1 1 84 84 LYS N N 15 0.933767066961 0.00752561435173 . . . . . . . 16917 1 32 . . 1 1 85 85 MET N N 15 0.869634589863 0.01045414182 . . . . . . . 16917 1 33 . . 1 1 86 86 GLY N N 15 0.977347098852 0.0124215743363 . . . . . . . 16917 1 34 . . 1 1 87 87 VAL N N 15 0.964858250121 0.00797192783243 . . . . . . . 16917 1 35 . . 1 1 88 88 SER N N 15 1.09668610511 0.0180647453448 . . . . . . . 16917 1 36 . . 1 1 89 89 GLU N N 15 0.997654801159 0.00819815178058 . . . . . . . 16917 1 37 . . 1 1 90 90 VAL N N 15 0.935377863755 0.0187064035947 . . . . . . . 16917 1 38 . . 1 1 91 91 GLU N N 15 0.900889815599 0.0136895329515 . . . . . . . 16917 1 39 . . 1 1 92 92 GLN N N 15 0.909853800851 0.0106133597709 . . . . . . . 16917 1 40 . . 1 1 93 93 CYS N N 15 0.89073349064 0.0113104131369 . . . . . . . 16917 1 41 . . 1 1 95 95 SER N N 15 0.874951316876 0.00603246368836 . . . . . . . 16917 1 42 . . 1 1 99 99 ALA N N 15 0.921799752854 0.0144859773098 . . . . . . . 16917 1 43 . . 1 1 101 101 ARG N N 15 0.941345052924 0.0131770073275 . . . . . . . 16917 1 44 . . 1 1 102 102 LEU N N 15 0.962899672364 0.0263117224572 . . . . . . . 16917 1 45 . . 1 1 103 103 VAL N N 15 0.949319480383 0.0141495975797 . . . . . . . 16917 1 46 . . 1 1 104 104 THR N N 15 0.91971559915 0.0120202345368 . . . . . . . 16917 1 47 . . 1 1 106 106 GLY N N 15 0.912654193522 0.0116881624089 . . . . . . . 16917 1 48 . . 1 1 108 108 THR N N 15 0.898378645344 0.013495537509 . . . . . . . 16917 1 49 . . 1 1 114 114 GLY N N 15 0.972483358625 0.0482558010878 . . . . . . . 16917 1 50 . . 1 1 115 115 SER N N 15 0.973939036573 0.037903509747 . . . . . . . 16917 1 51 . . 1 1 121 121 PHE N N 15 0.882648344039 0.0199727092468 . . . . . . . 16917 1 52 . . 1 1 122 122 ASP N N 15 0.889112017489 0.018101739997 . . . . . . . 16917 1 53 . . 1 1 123 123 TYR N N 15 0.908587572189 0.0191437659898 . . . . . . . 16917 1 54 . . 1 1 125 125 PHE N N 15 0.900100525279 0.0193181288654 . . . . . . . 16917 1 55 . . 1 1 126 126 MET N N 15 0.884993431765 0.0118533227247 . . . . . . . 16917 1 56 . . 1 1 127 127 ASP N N 15 0.97096113738 0.0229149653884 . . . . . . . 16917 1 57 . . 1 1 138 138 ALA N N 15 0.953633589317 0.00911991668967 . . . . . . . 16917 1 58 . . 1 1 139 139 THR N N 15 0.937741938387 0.0337296223521 . . . . . . . 16917 1 59 . . 1 1 142 142 ILE N N 15 0.926632629457 0.0242515591925 . . . . . . . 16917 1 60 . . 1 1 143 143 ARG N N 15 0.966661591687 0.0402589656033 . . . . . . . 16917 1 61 . . 1 1 144 144 LYS N N 15 0.924197789815 0.0136518776139 . . . . . . . 16917 1 62 . . 1 1 145 145 VAL N N 15 0.93347257876 0.0118736077622 . . . . . . . 16917 1 63 . . 1 1 147 147 LYS N N 15 0.920633755686 0.00929049523169 . . . . . . . 16917 1 64 . . 1 1 149 149 TYR N N 15 0.871222512316 0.0170470578736 . . . . . . . 16917 1 65 . . 1 1 150 150 GLY N N 15 0.899876147717 0.018358800787 . . . . . . . 16917 1 66 . . 1 1 151 151 VAL N N 15 0.821963063426 0.0113873788412 . . . . . . . 16917 1 67 . . 1 1 152 152 ARG N N 15 0.903024601648 0.033144713585 . . . . . . . 16917 1 68 . . 1 1 153 153 THR N N 15 0.800432359513 0.0399974204284 . . . . . . . 16917 1 69 . . 1 1 155 155 ILE N N 15 0.892230329007 0.0295092203032 . . . . . . . 16917 1 70 . . 1 1 156 156 ILE N N 15 0.918387798431 0.0218771695002 . . . . . . . 16917 1 71 . . 1 1 157 157 ALA N N 15 0.93701559932 0.0177239725784 . . . . . . . 16917 1 72 . . 1 1 160 160 GLY N N 15 0.93334571976 0.0859706089583 . . . . . . . 16917 1 73 . . 1 1 162 162 ASP N N 15 0.911663529375 0.0404629443279 . . . . . . . 16917 1 74 . . 1 1 164 164 GLY N N 15 0.919735446368 0.0435145238275 . . . . . . . 16917 1 75 . . 1 1 165 165 SER N N 15 0.886824240604 0.0469697177142 . . . . . . . 16917 1 76 . . 1 1 166 166 GLU N N 15 0.93049644402 0.0362833976791 . . . . . . . 16917 1 77 . . 1 1 167 167 GLU N N 15 1.05935574976 0.0392317149212 . . . . . . . 16917 1 78 . . 1 1 170 170 GLU N N 15 1.02300681691 0.0217345435972 . . . . . . . 16917 1 79 . . 1 1 172 172 ILE N N 15 1.0372905807 0.0172032546037 . . . . . . . 16917 1 80 . . 1 1 174 174 ALA N N 15 0.981329700683 0.024400347304 . . . . . . . 16917 1 81 . . 1 1 175 175 GLY N N 15 0.972542977754 0.0327620059196 . . . . . . . 16917 1 82 . . 1 1 177 177 ASP N N 15 0.886836482391 0.0303657666319 . . . . . . . 16917 1 83 . . 1 1 178 178 ALA N N 15 0.862535966311 0.00946322820953 . . . . . . . 16917 1 84 . . 1 1 179 179 PHE N N 15 0.915066958768 0.0123588557971 . . . . . . . 16917 1 85 . . 1 1 180 180 LEU N N 15 0.883509178481 0.0154517813164 . . . . . . . 16917 1 86 . . 1 1 183 183 SER N N 15 0.983645435284 0.0126649316518 . . . . . . . 16917 1 87 . . 1 1 185 185 ASN N N 15 1.00119264002 0.0251686182867 . . . . . . . 16917 1 88 . . 1 1 186 186 GLN N N 15 0.864231668941 0.0379476948017 . . . . . . . 16917 1 89 . . 1 1 187 187 LEU N N 15 0.944090899034 0.0110650326546 . . . . . . . 16917 1 90 . . 1 1 189 189 ASN N N 15 0.900468158934 0.00862288210541 . . . . . . . 16917 1 91 . . 1 1 192 192 ARG N N 15 0.937567654571 0.00661332558355 . . . . . . . 16917 1 92 . . 1 1 195 195 GLU N N 15 0.966714499087 0.0154332074054 . . . . . . . 16917 1 93 . . 1 1 196 196 SER N N 15 0.971460671612 0.00666196206047 . . . . . . . 16917 1 94 . . 1 1 197 197 LYS N N 15 1.05939049858 0.0149743190604 . . . . . . . 16917 1 95 . . 1 1 200 200 LEU N N 15 1.24272142993 0.0405118641768 . . . . . . . 16917 1 stop_ save_ save_auto_relaxation_2 _Auto_relaxation_list.Sf_category auto_relaxation _Auto_relaxation_list.Sf_framecode auto_relaxation_2 _Auto_relaxation_list.Entry_ID 16917 _Auto_relaxation_list.ID 2 _Auto_relaxation_list.Sample_condition_list_ID 1 _Auto_relaxation_list.Sample_condition_list_label $sample_conditions_1 _Auto_relaxation_list.Temp_calibration_method methanol _Auto_relaxation_list.Temp_control_method 'single fid interleaving' _Auto_relaxation_list.Spectrometer_frequency_1H 600.053 _Auto_relaxation_list.Exact_field_strength 600.053 _Auto_relaxation_list.Common_relaxation_type_name R2 _Auto_relaxation_list.Relaxation_coherence_type I+ _Auto_relaxation_list.Relaxation_val_units s-1 _Auto_relaxation_list.Rex_units . _Auto_relaxation_list.Rex_field_strength . _Auto_relaxation_list.Details . _Auto_relaxation_list.Text_data_format . _Auto_relaxation_list.Text_data . loop_ _Auto_relaxation_experiment.Experiment_ID _Auto_relaxation_experiment.Experiment_name _Auto_relaxation_experiment.Sample_ID _Auto_relaxation_experiment.Sample_label _Auto_relaxation_experiment.Sample_state _Auto_relaxation_experiment.Entry_ID _Auto_relaxation_experiment.Auto_relaxation_list_ID . . . $sample_1 . 16917 2 stop_ loop_ _Auto_relaxation.ID _Auto_relaxation.Assembly_ID _Auto_relaxation.Assembly_atom_ID _Auto_relaxation.Entity_assembly_ID _Auto_relaxation.Entity_ID _Auto_relaxation.Comp_index_ID _Auto_relaxation.Seq_ID _Auto_relaxation.Comp_ID _Auto_relaxation.Atom_ID _Auto_relaxation.Atom_type _Auto_relaxation.Atom_isotope_number _Auto_relaxation.Auto_relaxation_val _Auto_relaxation.Auto_relaxation_val_err _Auto_relaxation.Rex_val _Auto_relaxation.Rex_val_err _Auto_relaxation.Resonance_ID _Auto_relaxation.Auth_entity_assembly_ID _Auto_relaxation.Auth_seq_ID _Auto_relaxation.Auth_comp_ID _Auto_relaxation.Auth_atom_ID _Auto_relaxation.Entry_ID _Auto_relaxation.Auto_relaxation_list_ID 1 . . 1 1 14 14 LEU N N 15 2.85712745284 0.173988765818 . . . . . . . 16917 2 2 . . 1 1 17 17 ARG N N 15 21.3391963417 4.64355583324 . . . . . . . 16917 2 3 . . 1 1 18 18 GLY N N 15 14.9975708864 1.58365086792 . . . . . . . 16917 2 4 . . 1 1 21 21 MET N N 15 4.61288713167 0.223669779217 . . . . . . . 16917 2 5 . . 1 1 22 22 ALA N N 15 2.1033071878 0.221420296951 . . . . . . . 16917 2 6 . . 1 1 27 27 GLU N N 15 3.26604479769 0.258805406792 . . . . . . . 16917 2 7 . . 1 1 28 28 SER N N 15 3.5159907278 0.281968065177 . . . . . . . 16917 2 8 . . 1 1 35 35 VAL N N 15 3.61666431841 0.301209173992 . . . . . . . 16917 2 9 . . 1 1 43 43 GLY N N 15 2.77615004649 0.22209219844 . . . . . . . 16917 2 10 . . 1 1 53 53 LYS N N 15 4.13240279827 0.173120200787 . . . . . . . 16917 2 11 . . 1 1 55 55 SER N N 15 5.72394494973 0.197867567553 . . . . . . . 16917 2 12 . . 1 1 56 56 ASP N N 15 6.66569749517 0.339799289519 . . . . . . . 16917 2 13 . . 1 1 59 59 PHE N N 15 14.1481237381 0.114382726593 . . . . . . . 16917 2 14 . . 1 1 60 60 LEU N N 15 15.8755261881 0.195553097753 . . . . . . . 16917 2 15 . . 1 1 61 61 ARG N N 15 17.2903846452 0.266830102009 . . . . . . . 16917 2 16 . . 1 1 62 62 GLY N N 15 16.4039833328 0.65837498948 . . . . . . . 16917 2 17 . . 1 1 63 63 LYS N N 15 18.3975673204 0.322258389606 . . . . . . . 16917 2 18 . . 1 1 64 64 ARG N N 15 17.2939429014 0.336546867454 . . . . . . . 16917 2 19 . . 1 1 66 66 LEU N N 15 17.0912247534 0.505651063646 . . . . . . . 16917 2 20 . . 1 1 67 67 VAL N N 15 16.0387561491 0.350445241798 . . . . . . . 16917 2 21 . . 1 1 68 68 VAL N N 15 16.7483331542 0.42198754407 . . . . . . . 16917 2 22 . . 1 1 69 69 ASP N N 15 16.468082872 0.24806997927 . . . . . . . 16917 2 23 . . 1 1 70 70 ASP N N 15 16.0376973082 0.586149314411 . . . . . . . 16917 2 24 . . 1 1 74 74 SER N N 15 18.3861443289 0.399853838641 . . . . . . . 16917 2 25 . . 1 1 75 75 ARG N N 15 18.3765366798 0.500360907528 . . . . . . . 16917 2 26 . . 1 1 76 76 LYS N N 15 18.6589051419 0.310657218657 . . . . . . . 16917 2 27 . . 1 1 77 77 VAL N N 15 17.6974297801 0.334715556144 . . . . . . . 16917 2 28 . . 1 1 79 79 THR N N 15 17.2931139023 0.308143434279 . . . . . . . 16917 2 29 . . 1 1 80 80 GLY N N 15 18.6464604411 0.385225754424 . . . . . . . 16917 2 30 . . 1 1 81 81 LYS N N 15 18.0010205396 0.346872097143 . . . . . . . 16917 2 31 . . 1 1 84 84 LYS N N 15 17.876408161 0.171093137275 . . . . . . . 16917 2 32 . . 1 1 85 85 MET N N 15 17.7212474076 0.234758034243 . . . . . . . 16917 2 33 . . 1 1 86 86 GLY N N 15 16.7612613524 0.221237935666 . . . . . . . 16917 2 34 . . 1 1 87 87 VAL N N 15 18.5237743114 0.249232510291 . . . . . . . 16917 2 35 . . 1 1 88 88 SER N N 15 15.887440492 0.357626099592 . . . . . . . 16917 2 36 . . 1 1 89 89 GLU N N 15 15.1970876317 0.21159225751 . . . . . . . 16917 2 37 . . 1 1 90 90 VAL N N 15 15.2059409459 0.170555148089 . . . . . . . 16917 2 38 . . 1 1 91 91 GLU N N 15 16.408413261 0.405087906517 . . . . . . . 16917 2 39 . . 1 1 92 92 GLN N N 15 15.794226998 0.230302318134 . . . . . . . 16917 2 40 . . 1 1 93 93 CYS N N 15 17.7006493681 0.311915373886 . . . . . . . 16917 2 41 . . 1 1 95 95 SER N N 15 16.5730507369 0.218139194217 . . . . . . . 16917 2 42 . . 1 1 99 99 ALA N N 15 17.7518846606 0.201856153231 . . . . . . . 16917 2 43 . . 1 1 101 101 ARG N N 15 17.8192545091 0.151135119214 . . . . . . . 16917 2 44 . . 1 1 102 102 LEU N N 15 18.1241516223 0.373518222209 . . . . . . . 16917 2 45 . . 1 1 103 103 VAL N N 15 17.1207891876 0.418604662039 . . . . . . . 16917 2 46 . . 1 1 104 104 THR N N 15 18.5764712832 0.654800039722 . . . . . . . 16917 2 47 . . 1 1 106 106 GLY N N 15 17.4420891509 0.317889742592 . . . . . . . 16917 2 48 . . 1 1 108 108 THR N N 15 17.9122132958 0.427645072482 . . . . . . . 16917 2 49 . . 1 1 114 114 GLY N N 15 13.4248775318 0.399290136548 . . . . . . . 16917 2 50 . . 1 1 115 115 SER N N 15 12.7079226555 0.316835333697 . . . . . . . 16917 2 51 . . 1 1 121 121 PHE N N 15 18.9801004439 0.952202426447 . . . . . . . 16917 2 52 . . 1 1 122 122 ASP N N 15 17.4560266425 0.537370858579 . . . . . . . 16917 2 53 . . 1 1 123 123 TYR N N 15 16.0198808214 0.318725754809 . . . . . . . 16917 2 54 . . 1 1 125 125 PHE N N 15 16.0456833702 0.516948324307 . . . . . . . 16917 2 55 . . 1 1 126 126 MET N N 15 18.1980570091 0.611409621093 . . . . . . . 16917 2 56 . . 1 1 127 127 ASP N N 15 18.0800110705 0.606718187049 . . . . . . . 16917 2 57 . . 1 1 138 138 ALA N N 15 19.1144608105 0.461873770118 . . . . . . . 16917 2 58 . . 1 1 139 139 THR N N 15 18.9580358264 1.36019697365 . . . . . . . 16917 2 59 . . 1 1 142 142 ILE N N 15 17.9362961037 0.602560723701 . . . . . . . 16917 2 60 . . 1 1 143 143 ARG N N 15 20.2291853155 1.65281193266 . . . . . . . 16917 2 61 . . 1 1 144 144 LYS N N 15 18.2154078059 0.239212745906 . . . . . . . 16917 2 62 . . 1 1 145 145 VAL N N 15 17.4338479091 0.281928696544 . . . . . . . 16917 2 63 . . 1 1 147 147 LYS N N 15 17.9604340108 0.260042282903 . . . . . . . 16917 2 64 . . 1 1 149 149 TYR N N 15 16.4800466041 0.257878681791 . . . . . . . 16917 2 65 . . 1 1 150 150 GLY N N 15 16.7248851622 0.310364065055 . . . . . . . 16917 2 66 . . 1 1 151 151 VAL N N 15 18.2467183412 0.450165341248 . . . . . . . 16917 2 67 . . 1 1 152 152 ARG N N 15 15.9056354115 0.396918180498 . . . . . . . 16917 2 68 . . 1 1 153 153 THR N N 15 18.581375987 0.797477867052 . . . . . . . 16917 2 69 . . 1 1 155 155 ILE N N 15 16.5840419552 0.65775276957 . . . . . . . 16917 2 70 . . 1 1 156 156 ILE N N 15 16.9014715223 0.394071223761 . . . . . . . 16917 2 71 . . 1 1 157 157 ALA N N 15 17.3027269393 0.280020148305 . . . . . . . 16917 2 72 . . 1 1 160 160 GLY N N 15 15.4858699366 2.14434213875 . . . . . . . 16917 2 73 . . 1 1 162 162 ASP N N 15 15.9630118494 0.789807816592 . . . . . . . 16917 2 74 . . 1 1 164 164 GLY N N 15 16.499785947 0.922551589116 . . . . . . . 16917 2 75 . . 1 1 165 165 SER N N 15 16.2721874914 1.15177582893 . . . . . . . 16917 2 76 . . 1 1 166 166 GLU N N 15 16.9472477714 0.892169661006 . . . . . . . 16917 2 77 . . 1 1 167 167 GLU N N 15 16.3817754125 0.675258172036 . . . . . . . 16917 2 78 . . 1 1 170 170 GLU N N 15 16.5717827389 0.18694792327 . . . . . . . 16917 2 79 . . 1 1 172 172 ILE N N 15 17.2900187361 0.585147228045 . . . . . . . 16917 2 80 . . 1 1 174 174 ALA N N 15 17.8431555391 0.336300108226 . . . . . . . 16917 2 81 . . 1 1 175 175 GLY N N 15 21.7713943106 1.11407291594 . . . . . . . 16917 2 82 . . 1 1 177 177 ASP N N 15 18.9585955845 0.461926101619 . . . . . . . 16917 2 83 . . 1 1 178 178 ALA N N 15 17.3778456695 0.18097838818 . . . . . . . 16917 2 84 . . 1 1 179 179 PHE N N 15 21.4165449457 0.482510981945 . . . . . . . 16917 2 85 . . 1 1 180 180 LEU N N 15 20.9552654948 0.551367913957 . . . . . . . 16917 2 86 . . 1 1 183 183 SER N N 15 17.3791522723 0.409241817634 . . . . . . . 16917 2 87 . . 1 1 185 185 ASN N N 15 21.2435635562 0.614132978016 . . . . . . . 16917 2 88 . . 1 1 186 186 GLN N N 15 21.1201112674 0.901749810641 . . . . . . . 16917 2 89 . . 1 1 187 187 LEU N N 15 19.1104708718 0.309463714659 . . . . . . . 16917 2 90 . . 1 1 189 189 ASN N N 15 16.162276615 0.196526814137 . . . . . . . 16917 2 91 . . 1 1 192 192 ARG N N 15 18.8136317388 0.331918071776 . . . . . . . 16917 2 92 . . 1 1 195 195 GLU N N 15 16.1846952148 0.489417545266 . . . . . . . 16917 2 93 . . 1 1 196 196 SER N N 15 14.8843747873 0.192579045135 . . . . . . . 16917 2 94 . . 1 1 197 197 LYS N N 15 16.0608083707 0.19164601329 . . . . . . . 16917 2 95 . . 1 1 200 200 LEU N N 15 10.0903691016 0.119546296144 . . . . . . . 16917 2 stop_ save_ save_auto_relaxation_3 _Auto_relaxation_list.Sf_category auto_relaxation _Auto_relaxation_list.Sf_framecode auto_relaxation_3 _Auto_relaxation_list.Entry_ID 16917 _Auto_relaxation_list.ID 3 _Auto_relaxation_list.Sample_condition_list_ID 1 _Auto_relaxation_list.Sample_condition_list_label $sample_conditions_1 _Auto_relaxation_list.Temp_calibration_method methanol _Auto_relaxation_list.Temp_control_method 'single fid interleaving' _Auto_relaxation_list.Spectrometer_frequency_1H 850.284 _Auto_relaxation_list.Exact_field_strength 850.284 _Auto_relaxation_list.Common_relaxation_type_name R2 _Auto_relaxation_list.Relaxation_coherence_type I+ _Auto_relaxation_list.Relaxation_val_units s-1 _Auto_relaxation_list.Rex_units . _Auto_relaxation_list.Rex_field_strength . _Auto_relaxation_list.Details . _Auto_relaxation_list.Text_data_format . _Auto_relaxation_list.Text_data . loop_ _Auto_relaxation_experiment.Experiment_ID _Auto_relaxation_experiment.Experiment_name _Auto_relaxation_experiment.Sample_ID _Auto_relaxation_experiment.Sample_label _Auto_relaxation_experiment.Sample_state _Auto_relaxation_experiment.Entry_ID _Auto_relaxation_experiment.Auto_relaxation_list_ID . . . $sample_1 . 16917 3 stop_ loop_ _Auto_relaxation.ID _Auto_relaxation.Assembly_ID _Auto_relaxation.Assembly_atom_ID _Auto_relaxation.Entity_assembly_ID _Auto_relaxation.Entity_ID _Auto_relaxation.Comp_index_ID _Auto_relaxation.Seq_ID _Auto_relaxation.Comp_ID _Auto_relaxation.Atom_ID _Auto_relaxation.Atom_type _Auto_relaxation.Atom_isotope_number _Auto_relaxation.Auto_relaxation_val _Auto_relaxation.Auto_relaxation_val_err _Auto_relaxation.Rex_val _Auto_relaxation.Rex_val_err _Auto_relaxation.Resonance_ID _Auto_relaxation.Auth_entity_assembly_ID _Auto_relaxation.Auth_seq_ID _Auto_relaxation.Auth_comp_ID _Auto_relaxation.Auth_atom_ID _Auto_relaxation.Entry_ID _Auto_relaxation.Auto_relaxation_list_ID 1 . . 1 1 14 14 LEU N N 15 2.94710492663 0.07233610562 . . . . . . . 16917 3 2 . . 1 1 17 17 ARG N N 15 26.4552949461 14.8538752069 . . . . . . . 16917 3 3 . . 1 1 18 18 GLY N N 15 13.856675732 1.35745686732 . . . . . . . 16917 3 4 . . 1 1 21 21 MET N N 15 3.79365295338 0.20597981651 . . . . . . . 16917 3 5 . . 1 1 22 22 ALA N N 15 2.61887473107 0.136804085861 . . . . . . . 16917 3 6 . . 1 1 27 27 GLU N N 15 3.49940311751 0.185665791119 . . . . . . . 16917 3 7 . . 1 1 28 28 SER N N 15 3.25961092795 0.123995057193 . . . . . . . 16917 3 8 . . 1 1 35 35 VAL N N 15 3.68075849611 0.121788137686 . . . . . . . 16917 3 9 . . 1 1 43 43 GLY N N 15 3.3666092518 0.132905410166 . . . . . . . 16917 3 10 . . 1 1 53 53 LYS N N 15 4.82085767522 0.122216613128 . . . . . . . 16917 3 11 . . 1 1 55 55 SER N N 15 6.96282898077 0.0786822424954 . . . . . . . 16917 3 12 . . 1 1 56 56 ASP N N 15 8.8110486728 0.194193874518 . . . . . . . 16917 3 13 . . 1 1 59 59 PHE N N 15 17.0077099749 0.123990465356 . . . . . . . 16917 3 14 . . 1 1 60 60 LEU N N 15 18.6250661122 0.223519181841 . . . . . . . 16917 3 15 . . 1 1 61 61 ARG N N 15 20.801728307 0.258544411256 . . . . . . . 16917 3 16 . . 1 1 62 62 GLY N N 15 18.5047174698 0.535672388313 . . . . . . . 16917 3 17 . . 1 1 63 63 LYS N N 15 22.2371975549 0.551982174771 . . . . . . . 16917 3 18 . . 1 1 64 64 ARG N N 15 19.5926382103 0.788191152121 . . . . . . . 16917 3 19 . . 1 1 66 66 LEU N N 15 21.1967233435 0.682494598567 . . . . . . . 16917 3 20 . . 1 1 67 67 VAL N N 15 19.4105942402 0.542539381612 . . . . . . . 16917 3 21 . . 1 1 68 68 VAL N N 15 20.4274824212 0.678121939839 . . . . . . . 16917 3 22 . . 1 1 69 69 ASP N N 15 19.264797842 0.271821817233 . . . . . . . 16917 3 23 . . 1 1 70 70 ASP N N 15 19.9912168019 1.05015654103 . . . . . . . 16917 3 24 . . 1 1 74 74 SER N N 15 21.5578636617 0.441158131333 . . . . . . . 16917 3 25 . . 1 1 75 75 ARG N N 15 24.3017032757 0.96156644386 . . . . . . . 16917 3 26 . . 1 1 76 76 LYS N N 15 21.3000328522 0.246065215929 . . . . . . . 16917 3 27 . . 1 1 77 77 VAL N N 15 21.9114757432 0.557563181865 . . . . . . . 16917 3 28 . . 1 1 79 79 THR N N 15 21.1357753152 0.455317598443 . . . . . . . 16917 3 29 . . 1 1 80 80 GLY N N 15 22.5568077498 0.505591012489 . . . . . . . 16917 3 30 . . 1 1 81 81 LYS N N 15 22.743183405 0.344470226994 . . . . . . . 16917 3 31 . . 1 1 84 84 LYS N N 15 20.7984833802 0.517219850959 . . . . . . . 16917 3 32 . . 1 1 85 85 MET N N 15 20.4462533139 0.270422265522 . . . . . . . 16917 3 33 . . 1 1 86 86 GLY N N 15 19.7727643753 0.358613976549 . . . . . . . 16917 3 34 . . 1 1 87 87 VAL N N 15 22.4433036951 0.395196155878 . . . . . . . 16917 3 35 . . 1 1 88 88 SER N N 15 18.8024642636 0.351943504077 . . . . . . . 16917 3 36 . . 1 1 89 89 GLU N N 15 17.804627963 0.203568943155 . . . . . . . 16917 3 37 . . 1 1 90 90 VAL N N 15 17.376016649 0.20736346052 . . . . . . . 16917 3 38 . . 1 1 91 91 GLU N N 15 19.3467953726 0.423911360418 . . . . . . . 16917 3 39 . . 1 1 92 92 GLN N N 15 19.0690496326 0.425262290488 . . . . . . . 16917 3 40 . . 1 1 93 93 CYS N N 15 21.2180741144 0.503986970798 . . . . . . . 16917 3 41 . . 1 1 95 95 SER N N 15 20.6453825426 0.20927804884 . . . . . . . 16917 3 42 . . 1 1 99 99 ALA N N 15 21.3180442359 0.26224103213 . . . . . . . 16917 3 43 . . 1 1 101 101 ARG N N 15 21.2197203021 0.3651466373 . . . . . . . 16917 3 44 . . 1 1 102 102 LEU N N 15 22.6266106359 1.03152508751 . . . . . . . 16917 3 45 . . 1 1 103 103 VAL N N 15 22.4922079832 0.587627523435 . . . . . . . 16917 3 46 . . 1 1 104 104 THR N N 15 18.7212306005 0.665661218185 . . . . . . . 16917 3 47 . . 1 1 106 106 GLY N N 15 21.5540487281 0.604496513571 . . . . . . . 16917 3 48 . . 1 1 108 108 THR N N 15 21.929377252 0.446931868915 . . . . . . . 16917 3 49 . . 1 1 114 114 GLY N N 15 16.9350381132 0.480441442841 . . . . . . . 16917 3 50 . . 1 1 115 115 SER N N 15 15.4616323584 0.220065836613 . . . . . . . 16917 3 51 . . 1 1 121 121 PHE N N 15 24.7404202515 1.49901693406 . . . . . . . 16917 3 52 . . 1 1 122 122 ASP N N 15 20.6147028275 0.739261560042 . . . . . . . 16917 3 53 . . 1 1 123 123 TYR N N 15 19.5337669803 0.3015657244 . . . . . . . 16917 3 54 . . 1 1 125 125 PHE N N 15 18.9441908964 0.854598415919 . . . . . . . 16917 3 55 . . 1 1 126 126 MET N N 15 22.1958460129 0.995283278463 . . . . . . . 16917 3 56 . . 1 1 127 127 ASP N N 15 22.8446038377 1.15283971405 . . . . . . . 16917 3 57 . . 1 1 138 138 ALA N N 15 23.4591736468 0.961856512452 . . . . . . . 16917 3 58 . . 1 1 139 139 THR N N 15 18.4286173572 2.58918615221 . . . . . . . 16917 3 59 . . 1 1 142 142 ILE N N 15 22.1078501298 1.2825985671 . . . . . . . 16917 3 60 . . 1 1 143 143 ARG N N 15 25.136954511 3.68069878628 . . . . . . . 16917 3 61 . . 1 1 144 144 LYS N N 15 22.2169208623 0.379119991571 . . . . . . . 16917 3 62 . . 1 1 145 145 VAL N N 15 20.5274515103 0.623344379772 . . . . . . . 16917 3 63 . . 1 1 147 147 LYS N N 15 21.6289309814 0.426756388138 . . . . . . . 16917 3 64 . . 1 1 149 149 TYR N N 15 19.3432693474 0.431303749186 . . . . . . . 16917 3 65 . . 1 1 150 150 GLY N N 15 20.9193680989 0.399570391356 . . . . . . . 16917 3 66 . . 1 1 151 151 VAL N N 15 23.6753236503 0.41745890116 . . . . . . . 16917 3 67 . . 1 1 152 152 ARG N N 15 18.9854099602 0.478260617581 . . . . . . . 16917 3 68 . . 1 1 153 153 THR N N 15 21.4814394356 1.85759899273 . . . . . . . 16917 3 69 . . 1 1 155 155 ILE N N 15 19.6738643076 0.582918597987 . . . . . . . 16917 3 70 . . 1 1 156 156 ILE N N 15 19.9691947022 0.756496769778 . . . . . . . 16917 3 71 . . 1 1 157 157 ALA N N 15 20.9264379768 0.497566871409 . . . . . . . 16917 3 72 . . 1 1 160 160 GLY N N 15 22.3168650244 2.22458202524 . . . . . . . 16917 3 73 . . 1 1 162 162 ASP N N 15 18.1033036083 0.580811796873 . . . . . . . 16917 3 74 . . 1 1 164 164 GLY N N 15 21.4518618725 0.809391137537 . . . . . . . 16917 3 75 . . 1 1 165 165 SER N N 15 20.1804073537 0.656805319324 . . . . . . . 16917 3 76 . . 1 1 166 166 GLU N N 15 17.8368800294 0.709450602745 . . . . . . . 16917 3 77 . . 1 1 167 167 GLU N N 15 21.1933647004 1.60308777425 . . . . . . . 16917 3 78 . . 1 1 170 170 GLU N N 15 20.323369384 0.444680837426 . . . . . . . 16917 3 79 . . 1 1 172 172 ILE N N 15 20.0927218891 0.606621408031 . . . . . . . 16917 3 80 . . 1 1 174 174 ALA N N 15 21.6225442516 0.512217720218 . . . . . . . 16917 3 81 . . 1 1 175 175 GLY N N 15 27.0716155381 2.04176161655 . . . . . . . 16917 3 82 . . 1 1 177 177 ASP N N 15 23.386953194 1.3634604254 . . . . . . . 16917 3 83 . . 1 1 178 178 ALA N N 15 20.8377885398 0.337185703326 . . . . . . . 16917 3 84 . . 1 1 179 179 PHE N N 15 22.0642727665 1.13237260353 . . . . . . . 16917 3 85 . . 1 1 180 180 LEU N N 15 24.782044124 0.669943788855 . . . . . . . 16917 3 86 . . 1 1 183 183 SER N N 15 22.1604553857 1.1493146762 . . . . . . . 16917 3 87 . . 1 1 185 185 ASN N N 15 30.0031638998 3.72226179715 . . . . . . . 16917 3 88 . . 1 1 186 186 GLN N N 15 28.0778837898 1.86256619344 . . . . . . . 16917 3 89 . . 1 1 187 187 LEU N N 15 22.895499353 0.424218033724 . . . . . . . 16917 3 90 . . 1 1 189 189 ASN N N 15 19.1351725108 0.230944864262 . . . . . . . 16917 3 91 . . 1 1 192 192 ARG N N 15 21.3615683779 0.589526120727 . . . . . . . 16917 3 92 . . 1 1 195 195 GLU N N 15 16.7002313515 0.964392582718 . . . . . . . 16917 3 93 . . 1 1 196 196 SER N N 15 16.0228897302 0.608020246241 . . . . . . . 16917 3 94 . . 1 1 197 197 LYS N N 15 18.3656721319 0.2986598791 . . . . . . . 16917 3 95 . . 1 1 200 200 LEU N N 15 11.7689754524 0.112586615657 . . . . . . . 16917 3 stop_ save_ ###################### # Order parameters # ###################### save_order_parameters_1 _Order_parameter_list.Sf_category order_parameters _Order_parameter_list.Sf_framecode order_parameters_1 _Order_parameter_list.Entry_ID 16917 _Order_parameter_list.ID 1 _Order_parameter_list.Sample_condition_list_ID 1 _Order_parameter_list.Sample_condition_list_label $sample_conditions_1 _Order_parameter_list.Tau_e_val_units s _Order_parameter_list.Tau_f_val_units s _Order_parameter_list.Tau_s_val_units s _Order_parameter_list.Rex_field_strength . _Order_parameter_list.Rex_val_units . _Order_parameter_list.Details '_Order_param.Bond_length_val: 1.02e-10' _Order_parameter_list.Text_data_format . _Order_parameter_list.Text_data . loop_ _Order_parameter_experiment.Experiment_ID _Order_parameter_experiment.Experiment_name _Order_parameter_experiment.Sample_ID _Order_parameter_experiment.Sample_label _Order_parameter_experiment.Sample_state _Order_parameter_experiment.Entry_ID _Order_parameter_experiment.Order_parameter_list_ID . . . $sample_1 . 16917 1 stop_ loop_ _Order_param.ID _Order_param.Assembly_atom_ID _Order_param.Entity_assembly_ID _Order_param.Entity_ID _Order_param.Comp_index_ID _Order_param.Seq_ID _Order_param.Comp_ID _Order_param.Atom_ID _Order_param.Atom_type _Order_param.Atom_isotope_number _Order_param.Order_param_val _Order_param.Order_param_val_fit_err _Order_param.Tau_e_val _Order_param.Tau_e_val_fit_err _Order_param.Tau_f_val _Order_param.Tau_f_val_fit_err _Order_param.Tau_s_val _Order_param.Tau_s_val_fit_err _Order_param.Rex_val _Order_param.Rex_val_fit_err _Order_param.Model_free_sum_squared_errs _Order_param.Model_fit _Order_param.Sf2_val _Order_param.Sf2_val_fit_err _Order_param.Ss2_val _Order_param.Ss2_val_fit_err _Order_param.SH2_val _Order_param.SH2_val_fit_err _Order_param.SN2_val _Order_param.SN2_val_fit_err _Order_param.Resonance_ID _Order_param.Auth_entity_assembly_ID _Order_param.Auth_seq_ID _Order_param.Auth_comp_ID _Order_param.Auth_atom_ID _Order_param.Entry_ID _Order_param.Order_parameter_list_ID 1 . 1 1 14 14 LEU N N 15 0.0497761451555 0.00314632592075 . . . . 9.71898409836e-10 3.41173732175e-11 . . . 'S2f, S2, ts' 0.653189375699 0.0179680875717 0.0762047684904 0.00571455318375 . . . . . . . . . 16917 1 2 . 1 1 17 17 ARG N N 15 . . . . . . . . . . . . . . . . . . . . . . . . . 16917 1 3 . 1 1 18 18 GLY N N 15 0.653369650599 0.0343942922975 . . . . . . . . . S2 . . . . . . . . . . . . . 16917 1 4 . 1 1 21 21 MET N N 15 0.102090308073 0.00856086686958 . . . . 1.17015636636e-09 1.49870175269e-10 . . . 'S2f, S2, ts' 0.690821768716 0.0458643896921 0.147780965651 0.0162354518859 . . . . . . . . . 16917 1 5 . 1 1 22 22 ALA N N 15 0.0401152635456 0.00748389705905 . . . . 1.03768080617e-09 1.85638203517e-10 . . . 'S2f, S2, ts' 0.564741234628 0.0559253578204 0.0710329989842 0.0163569051335 . . . . . . . . . 16917 1 6 . 1 1 27 27 GLU N N 15 0.0616296147277 0.00778465417145 . . . . 1.10927425031e-09 1.17793985046e-10 . . . 'S2f, S2, ts' 0.693417024504 0.0443941348834 0.088878139056 0.0132130310216 . . . . . . . . . 16917 1 7 . 1 1 28 28 SER N N 15 0.0708225560417 0.008225415484 . . . . 9.75900242133e-10 3.73567951483e-10 . . . 'S2f, S2, ts' 0.626739926548 0.0751958755387 0.113001506752 0.0172395528405 . . . . . . . . . 16917 1 8 . 1 1 35 35 VAL N N 15 0.0827924026866 0.00577975325815 . . . . 1.04759209257e-09 1.17297834568e-10 . . . 'S2f, S2, ts' 0.65474454197 0.0342756068846 0.126449931812 0.0100809721148 . . . . . . . . . 16917 1 9 . 1 1 43 43 GLY N N 15 0.0671881544119 0.00603923311019 . . . . 1.01563026956e-09 8.81327120338e-11 . . . 'S2f, S2, ts' 0.663857271867 0.0331381654294 0.101208734557 0.0107066397221 . . . . . . . . . 16917 1 10 . 1 1 53 53 LYS N N 15 0.129369076801 0.0045102717849 . . . . 9.81711275353e-10 5.15042381308e-11 . . . 'S2f, S2, ts' 0.64149328896 0.0206311171718 0.201668636333 0.00998936128155 . . . . . . . . . 16917 1 11 . 1 1 55 55 SER N N 15 0.22186105272 0.00474780009493 . . . . 1.0833478333e-09 1.47143776641e-10 . . . 'S2f, S2, ts' 0.67544305833 0.0345621025179 0.328467440718 0.0184892095991 . . . . . . . . . 16917 1 12 . 1 1 56 56 ASP N N 15 0.291193182463 0.00954927265113 . . . . 1.28239609329e-09 2.22462761928e-10 . . . 'S2f, S2, ts' 0.686511880823 0.0360995110942 0.424163354775 0.026042728701 . . . . . . . . . 16917 1 13 . 1 1 59 59 PHE N N 15 0.669998798363 0.00442265889353 . . . . 1.26972496303e-09 1.31136417583e-10 . . . 'S2f, S2, ts' 0.836340973904 0.00893495500784 0.801107226919 0.00835074563385 . . . . . . . . . 16917 1 14 . 1 1 60 60 LEU N N 15 0.752128829248 0.00748002863384 . . . . 1.25211428693e-09 2.68217876127e-10 . . . 'S2f, S2, ts' 0.863546066491 0.0112104601438 0.870977077464 0.0106477692544 . . . . . . . . . 16917 1 15 . 1 1 61 61 ARG N N 15 0.753943492947 0.00819330390752 . . . . 1.47008922863e-09 3.25547526228e-10 . . . 'S2f, S2, ts' 0.847036460922 0.00877984240004 0.890095677967 0.00785314307214 . . . . . . . . . 16917 1 16 . 1 1 62 62 GLY N N 15 0.758364762674 0.0213305463376 . . . . 1.24030726681e-09 1.64004056225e-09 . . . 'S2f, S2, ts' 0.822088367494 0.0327862190399 0.922485699422 0.0313523794401 . . . . . . . . . 16917 1 17 . 1 1 63 63 LYS N N 15 0.880119311437 0.00872906770063 3.12444368577e-11 9.98457004475e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 16917 1 18 . 1 1 64 64 ARG N N 15 0.845316356444 0.0102559864423 . . . . . . . . . S2 . . . . . . . . . . . . . 16917 1 19 . 1 1 66 66 LEU N N 15 0.874554978089 0.0127691532928 . . . . . . . . . S2 . . . . . . . . . . . . . 16917 1 20 . 1 1 67 67 VAL N N 15 0.790673794684 0.01615901682 . . . . 1.49072046069e-09 1.78532665918e-09 . . . 'S2f, S2, ts' 0.839726773675 0.0147826184889 0.941584595693 0.013939423833 . . . . . . . . . 16917 1 21 . 1 1 68 68 VAL N N 15 0.793324854455 0.0202275889505 . . . . 3.65787950383e-09 2.46054398191e-09 . . . 'S2f, S2, ts' 0.834757511373 0.014906625246 0.950365637501 0.0154532710501 . . . . . . . . . 16917 1 22 . 1 1 69 69 ASP N N 15 0.775422926857 0.0102778010637 . . . . 1.68727772501e-09 1.43269209517e-09 . . . 'S2f, S2, ts' 0.822702686378 0.0109759883376 0.942531171583 0.0120085568656 . . . . . . . . . 16917 1 23 . 1 1 70 70 ASP N N 15 0.818052513283 0.0198287573498 2.83580695309e-11 1.52609743909e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 16917 1 24 . 1 1 74 74 SER N N 15 0.860997727234 0.0096971038972 2.07851603387e-11 9.39958721198e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 16917 1 25 . 1 1 75 75 ARG N N 15 0.90911951933 0.0140316882676 3.23994959526e-11 1.92418638406e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 16917 1 26 . 1 1 76 76 LYS N N 15 0.863787968456 0.00885368165606 . . . . 8.76049377991e-10 9.67709814683e-10 . . . 'S2f, S2, ts' 0.897605484462 0.0103056884582 0.962324744454 0.00856227952072 . . . . . . . . . 16917 1 27 . 1 1 77 77 VAL N N 15 0.857624046967 0.0154058204768 . . . . 1.48753441228e-09 1.93959882508e-09 . . . 'S2f, S2, ts' 0.882233010279 0.016759975246 0.972106050187 0.012605895105 . . . . . . . . . 16917 1 28 . 1 1 79 79 THR N N 15 0.842645030233 0.00646481594522 . . . . . . . . . S2 . . . . . . . . . . . . . 16917 1 29 . 1 1 80 80 GLY N N 15 0.896302299933 0.00728636256392 . . . . . . . . . S2 . . . . . . . . . . . . . 16917 1 30 . 1 1 81 81 LYS N N 15 0.875845859666 0.0121605914439 . . . . 1.89187353715e-09 1.79643432344e-09 . . . 'S2f, S2, ts' 0.900146976646 0.00931964578428 0.973003167693 0.00734614017714 . . . . . . . . . 16917 1 31 . 1 1 84 84 LYS N N 15 0.875690426094 0.00583541657782 3.84754613091e-11 8.29025680127e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 16917 1 32 . 1 1 85 85 MET N N 15 0.773256009127 0.00905184817989 . . . . 1.23060701923e-09 1.34143919145e-09 . . . 'S2f, S2, ts' 0.829123225463 0.00996966565329 0.932618922471 0.0106059541684 . . . . . . . . . 16917 1 33 . 1 1 86 86 GLY N N 15 0.82165200071 0.00988332916741 . . . . 1.0910405414e-09 8.95029953549e-10 . . . 'S2f, S2, ts' 0.873162936645 0.0110135795966 0.941006502024 0.0108716222747 . . . . . . . . . 16917 1 34 . 1 1 87 87 VAL N N 15 0.91890837157 0.00615781451704 . . . . . . . . . S2 . . . . . . . . . . . . . 16917 1 35 . 1 1 88 88 SER N N 15 0.759395291483 0.0117591289104 . . . . 1.02952662164e-09 1.89928047155e-10 . . . 'S2f, S2, ts' 0.900917166608 0.0148983335324 0.842913554796 0.0133971002139 . . . . . . . . . 16917 1 36 . 1 1 89 89 GLU N N 15 0.721941391019 0.00692786995015 . . . . 1.2844797915e-09 2.36220455699e-10 . . . 'S2f, S2, ts' 0.824024896851 0.00909609458037 0.876115993313 0.00845326949378 . . . . . . . . . 16917 1 37 . 1 1 90 90 VAL N N 15 0.721088032807 0.0089177090933 . . . . 1.57482688533e-09 1.21033270005e-09 . . . 'S2f, S2, ts' 0.791072946234 0.0100905329682 0.911531656139 0.0126467737796 . . . . . . . . . 16917 1 38 . 1 1 91 91 GLU N N 15 0.795252086698 0.0138625655251 . . . . 7.55467257404e-10 9.97095350299e-10 . . . 'S2f, S2, ts' 0.831051127723 0.0367775084033 0.956923178574 0.0328452036488 . . . . . . . . . 16917 1 39 . 1 1 92 92 GLN N N 15 0.756086353856 0.0122088904375 . . . . 1.83030377506e-09 1.47316073868e-09 . . . 'S2f, S2, ts' 0.807172507608 0.0109475429746 0.936709745103 0.0104875992778 . . . . . . . . . 16917 1 40 . 1 1 93 93 CYS N N 15 0.848343828022 0.00967948767112 3.17641707196e-11 9.49818604153e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 16917 1 41 . 1 1 95 95 SER N N 15 0.831867627081 0.00422521927147 . . . . . . . . . S2 . . . . . . . . . . . . . 16917 1 42 . 1 1 99 99 ALA N N 15 0.878149693832 0.00639051790145 . . . . . . . . . S2 . . . . . . . . . . . . . 16917 1 43 . 1 1 101 101 ARG N N 15 0.891352781799 0.00596619964657 . . . . . . . . . S2 . . . . . . . . . . . . . 16917 1 44 . 1 1 102 102 LEU N N 15 0.903288590083 0.0146802327265 5.1952915288e-11 2.73098784329e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 16917 1 45 . 1 1 103 103 VAL N N 15 0.892694097202 0.0101481630084 . . . . . . . . . S2 . . . . . . . . . . . . . 16917 1 46 . 1 1 104 104 THR N N 15 0.847833523577 0.012418598515 2.10536310378e-11 1.22617627813e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 16917 1 47 . 1 1 106 106 GLY N N 15 0.869936237205 0.00833350678523 . . . . . . . . . S2 . . . . . . . . . . . . . 16917 1 48 . 1 1 108 108 THR N N 15 0.829471410992 0.0150448419223 2.79133369322e-11 9.06043767241e-12 . . . . 2.61246992635e-38 8.89523859621e-39 . 'S2, te, Rex' . . . . . . . . . . . . . 16917 1 49 . 1 1 114 114 GLY N N 15 0.636573402921 0.0150446564429 . . . . 1.04019479658e-09 3.02464850929e-10 . . . 'S2f, S2, ts' 0.792398947618 0.0253556924331 0.803349631943 0.0278019982011 . . . . . . . . . 16917 1 50 . 1 1 115 115 SER N N 15 0.569195496088 0.00870955100437 . . . . 1.35667485815e-09 4.96691547753e-10 . . . 'S2f, S2, ts' 0.740602265158 0.0204023588061 0.768557595441 0.0215730630754 . . . . . . . . . 16917 1 51 . 1 1 121 121 PHE N N 15 0.83826969795 0.0231777346753 2.42088281288e-11 1.30803033384e-11 . . . . 5.48393088666e-38 2.1645287203e-38 . 'S2, te, Rex' . . . . . . . . . . . . . 16917 1 52 . 1 1 122 122 ASP N N 15 0.850993454208 0.0134737639478 . . . . . . . . . S2 . . . . . . . . . . . . . 16917 1 53 . 1 1 123 123 TYR N N 15 0.789578100934 0.0119163864237 . . . . 2.41796491425e-09 2.20789812927e-09 . . . 'S2f, S2, ts' 0.816420999766 0.0101186074664 0.967121253814 0.0126778777925 . . . . . . . . . 16917 1 54 . 1 1 125 125 PHE N N 15 0.788927670032 0.0231904877183 . . . . 1.0152836129e-09 1.03791334346e-09 . . . 'S2f, S2, ts' 0.821923906386 0.0434693487584 0.959854876957 0.0357884843219 . . . . . . . . . 16917 1 55 . 1 1 126 126 MET N N 15 0.864028075454 0.0102212627908 . . . . . . . . . S2 . . . . . . . . . . . . . 16917 1 56 . 1 1 127 127 ASP N N 15 0.89945361498 0.0201006035966 6.13525220013e-11 2.9039614915e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 16917 1 57 . 1 1 138 138 ALA N N 15 0.929452262956 0.00775771113871 . . . . . . . . . S2 . . . . . . . . . . . . . 16917 1 58 . 1 1 139 139 THR N N 15 0.857175073447 0.0316348806765 6.02668462154e-11 3.32157213928e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 16917 1 59 . 1 1 142 142 ILE N N 15 0.890095756367 0.0167810567929 . . . . . . . . . S2 . . . . . . . . . . . . . 16917 1 60 . 1 1 143 143 ARG N N 15 0.941563054857 0.0332223400555 . . . . . . . . . S2 . . . . . . . . . . . . . 16917 1 61 . 1 1 144 144 LYS N N 15 0.882019417817 0.0128230299348 . . . . . . 1.30213856183e-38 7.19639868819e-39 . 'S2, Rex' . . . . . . . . . . . . . 16917 1 62 . 1 1 145 145 VAL N N 15 0.866423531602 0.00971342962163 2.76310585519e-11 1.20333409421e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 16917 1 63 . 1 1 147 147 LYS N N 15 0.875617566438 0.00764757962447 1.82929368369e-11 9.5605168085e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 16917 1 64 . 1 1 149 149 TYR N N 15 0.804642910797 0.00884301591559 3.0601971511e-11 8.88795688786e-12 . . . . . . . 'S2, te' . . . . . . . . . . . . . 16917 1 65 . 1 1 150 150 GLY N N 15 0.798418251045 0.0121132395711 . . . . 1.05511876507e-09 1.09764199223e-09 . . . 'S2f, S2, ts' 0.844891590355 0.0121773630522 0.944994908412 0.0121024372388 . . . . . . . . . 16917 1 66 . 1 1 151 151 VAL N N 15 0.815223081731 0.0155380993474 2.13733923899e-11 8.5454535863e-12 . . . . 2.8933223633e-38 9.06788475198e-39 . 'S2, te, Rex' . . . . . . . . . . . . . 16917 1 67 . 1 1 152 152 ARG N N 15 0.733461395756 0.0143007302515 . . . . 1.03788414995e-09 3.49363642322e-10 . . . 'S2f, S2, ts' 0.814738563697 0.0161551104492 0.900241412936 0.0180195050567 . . . . . . . . . 16917 1 68 . 1 1 153 153 THR N N 15 0.834874509323 0.0254628484982 . . . . . . . . . S2 . . . . . . . . . . . . . 16917 1 69 . 1 1 155 155 ILE N N 15 0.820870919193 0.0160140551144 . . . . . . . . . S2 . . . . . . . . . . . . . 16917 1 70 . 1 1 156 156 ILE N N 15 0.841428199559 0.0132096649636 2.66647981633e-11 1.47917699609e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 16917 1 71 . 1 1 157 157 ALA N N 15 0.86296825827 0.0100767523011 3.10821370372e-11 1.47767947581e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 16917 1 72 . 1 1 160 160 GLY N N 15 0.754538792448 0.0651304809782 . . . . 8.9624272318e-10 8.23486480026e-10 . . . 'S2f, S2, ts' 0.866827895458 0.0663898678824 0.870459749164 0.0526959667108 . . . . . . . . . 16917 1 73 . 1 1 162 162 ASP N N 15 0.688792666432 0.0216173817389 . . . . 1.28310703272e-09 1.32475003793e-09 . . . 'S2f, S2, ts' 0.788701970145 0.0247510137153 0.87332438932 0.0262051560182 . . . . . . . . . 16917 1 74 . 1 1 164 164 GLY N N 15 0.837164676152 0.0231906478101 4.2641364698e-11 2.51275435534e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 16917 1 75 . 1 1 165 165 SER N N 15 0.810200262155 0.0222258443123 3.93879930917e-11 2.57510058635e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 16917 1 76 . 1 1 166 166 GLU N N 15 0.747583947054 0.026193809038 . . . . 1.85867578397e-09 1.80019339196e-09 . . . 'S2f, S2, ts' 0.801407357888 0.0470717788788 0.932838886112 0.0447850333521 . . . . . . . . . 16917 1 77 . 1 1 167 167 GLU N N 15 0.806236740005 0.0320952617756 . . . . 8.49688376873e-10 4.92989652094e-10 . . . 'S2f, S2, ts' 0.924581557485 0.031165278329 0.872001754175 0.0266587493596 . . . . . . . . . 16917 1 78 . 1 1 170 170 GLU N N 15 0.822407627056 0.0088062852107 . . . . 1.04951131626e-09 3.16113674833e-10 . . . 'S2f, S2, ts' 0.896921461422 0.011438277726 0.916922676543 0.0118848165523 . . . . . . . . . 16917 1 79 . 1 1 172 172 ILE N N 15 0.825183245449 0.0198266067666 . . . . 8.70977587984e-10 2.58996293376e-10 . . . 'S2f, S2, ts' 0.913251146559 0.0166500205953 0.903566613147 0.014378869028 . . . . . . . . . 16917 1 80 . 1 1 174 174 ALA N N 15 0.850933159593 0.0137647946202 . . . . 8.61607248762e-10 2.83460245939e-10 . . . 'S2f, S2, ts' 0.912090941586 0.0145745099735 0.932947714746 0.0139271868868 . . . . . . . . . 16917 1 81 . 1 1 175 175 GLY N N 15 0.940443189398 0.0314384653416 . . . . . . 6.89088986915e-38 2.93496569423e-38 . 'S2, Rex' . . . . . . . . . . . . . 16917 1 82 . 1 1 177 177 ASP N N 15 0.850396306824 0.0284162628546 . . . . . . 5.55689300611e-38 2.01841427031e-38 . 'S2, Rex' . . . . . . . . . . . . . 16917 1 83 . 1 1 178 178 ALA N N 15 0.8024428352 0.00853348976804 . . . . 2.32362206461e-09 2.0668096107e-09 . . . 'S2f, S2, ts' 0.82846599595 0.00745457905083 0.96858874006 0.00780601746499 . . . . . . . . . 16917 1 84 . 1 1 179 179 PHE N N 15 0.934051843393 0.0130845644998 5.80235838702e-11 2.53883371062e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 16917 1 85 . 1 1 180 180 LEU N N 15 0.927289629047 0.011464375647 . . . . . . . . . S2 . . . . . . . . . . . . . 16917 1 86 . 1 1 183 183 SER N N 15 0.891516103097 0.0123301570909 6.24383500876e-11 1.53804364319e-11 . . . . . . . 'S2, te' . . . . . . . . . . . . . 16917 1 87 . 1 1 185 185 ASN N N 15 0.955298010457 0.0230829840733 . . . . . . 7.02685772612e-38 2.2461687442e-38 . 'S2, Rex' . . . . . . . . . . . . . 16917 1 88 . 1 1 186 186 GLN N N 15 0.865280903272 0.0349399874718 . . . . . . 9.0494293554e-38 2.68767131315e-38 . 'S2, Rex' . . . . . . . . . . . . . 16917 1 89 . 1 1 187 187 LEU N N 15 0.903383591863 0.0109514096797 . . . . . . 1.60071096588e-38 7.39382516531e-39 . 'S2, Rex' . . . . . . . . . . . . . 16917 1 90 . 1 1 189 189 ASN N N 15 0.788045782883 0.00715097854405 . . . . 8.66128140391e-10 4.08280071211e-10 . . . 'S2f, S2, ts' 0.824689202228 0.00731046777019 0.955566995123 0.00730798286766 . . . . . . . . . 16917 1 91 . 1 1 192 192 ARG N N 15 0.905360467592 0.00551419159822 . . . . . . . . . S2 . . . . . . . . . . . . . 16917 1 92 . 1 1 195 195 GLU N N 15 0.741878649987 0.0254357813385 . . . . 2.15428358327e-09 2.14185323412e-09 . . . 'S2f, S2, ts' 0.815135265282 0.0174524989323 0.910129498238 0.0195417710223 . . . . . . . . . 16917 1 93 . 1 1 196 196 SER N N 15 0.723748911703 0.00931519554738 . . . . 1.09537595191e-09 1.2802038856e-10 . . . 'S2f, S2, ts' 0.820876655469 0.00822274355094 0.88167802907 0.00733232504231 . . . . . . . . . 16917 1 94 . 1 1 197 197 LYS N N 15 0.758757937718 0.00831941397751 . . . . 1.25055825233e-09 1.86708503641e-10 . . . 'S2f, S2, ts' 0.875817594511 0.00963757227232 0.866342423895 0.00922022799388 . . . . . . . . . 16917 1 95 . 1 1 200 200 LEU N N 15 0.40592932584 0.00470113796953 . . . . 1.40727425123e-09 6.40721139522e-11 . . . 'S2f, S2, ts' 0.756641179313 0.0156657376774 0.536488545611 0.0144702652517 . . . . . . . . . 16917 1 stop_ save_ save_tensor_1 _Tensor_list.Sf_category tensor _Tensor_list.Sf_framecode tensor_1 _Tensor_list.Entry_ID 16917 _Tensor_list.ID 1 _Tensor_list.Tensor_type diffusion _Tensor_list.Tensor_shape . _Tensor_list.Matrix_val_units s-1 _Tensor_list.Isotropic_val_type . _Tensor_list.Angle_units rad _Tensor_list.Isotropic_val_formula 'Diso = 1/(6.tm)' _Tensor_list.Anisotropic_val_formula 'Da = Dpar - Dper' _Tensor_list.Rhombic_val_formula 'Dr = (Dy - Dx)/2Da' _Tensor_list.Euler_angle_type zyz _Tensor_list.Details 'Tensor.Axial_sym_axis_azimuthal_angle: 0.534942840741' loop_ _Tensor.ID _Tensor.Interatomic_distance_list_ID _Tensor.Interatomic_dist_set_ID _Tensor.Calc_type_ID _Tensor.Assembly_atom_ID _Tensor.Entity_assembly_ID _Tensor.Entity_ID _Tensor.Comp_index_ID _Tensor.Seq_ID _Tensor.Comp_ID _Tensor.Atom_ID _Tensor.Atom_type _Tensor.Atom_isotope_number _Tensor.Axial_sym_axis_polar_angle _Tensor.Axial_sym_axis_aximuthal_angle _Tensor.Isotropic_val _Tensor.Anisotropic_val _Tensor.Rhombic_val _Tensor.Euler_angle_alpha _Tensor.Euler_angle_beta _Tensor.Euler_angle_gamma _Tensor.Isotropic_comp_1_1_val _Tensor.Isotropic_comp_2_2_val _Tensor.Isotropic_comp_3_3_val _Tensor.Anti_sym_comp_1_2_val _Tensor.Anti_sym_comp_1_3_val _Tensor.Anti_sym_comp_2_3_val _Tensor.Sym_traceless_comp_1_1_val _Tensor.Sym_traceless_comp_1_2_val _Tensor.Sym_traceless_comp_1_3_val _Tensor.Sym_traceless_comp_2_2_val _Tensor.Sym_traceless_comp_2_3_val _Tensor.Reduceable_matrix_1_1_val _Tensor.Reduceable_matrix_1_2_val _Tensor.Reduceable_matrix_1_3_val _Tensor.Reduceable_matrix_2_1_val _Tensor.Reduceable_matrix_2_2_val _Tensor.Reduceable_matrix_2_3_val _Tensor.Reduceable_matrix_3_1_val _Tensor.Reduceable_matrix_3_2_val _Tensor.Reduceable_matrix_3_3_val _Tensor.Auth_entity_assembly_ID _Tensor.Auth_seq_ID _Tensor.Auth_comp_ID _Tensor.Auth_atom_ID _Tensor.Entry_ID _Tensor.Tensor_list_ID 1 . . . . 1 1 14 14 LEU N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 2 . . . . 1 1 17 17 ARG N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 3 . . . . 1 1 18 18 GLY N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 4 . . . . 1 1 21 21 MET N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 5 . . . . 1 1 22 22 ALA N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 6 . . . . 1 1 27 27 GLU N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 7 . . . . 1 1 28 28 SER N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 8 . . . . 1 1 35 35 VAL N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 9 . . . . 1 1 43 43 GLY N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 10 . . . . 1 1 53 53 LYS N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 11 . . . . 1 1 55 55 SER N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 12 . . . . 1 1 56 56 ASP N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 13 . . . . 1 1 59 59 PHE N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 14 . . . . 1 1 60 60 LEU N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 15 . . . . 1 1 61 61 ARG N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 16 . . . . 1 1 62 62 GLY N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 17 . . . . 1 1 63 63 LYS N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 18 . . . . 1 1 64 64 ARG N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 19 . . . . 1 1 66 66 LEU N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 20 . . . . 1 1 67 67 VAL N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 21 . . . . 1 1 68 68 VAL N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 22 . . . . 1 1 69 69 ASP N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 23 . . . . 1 1 70 70 ASP N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 24 . . . . 1 1 74 74 SER N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 25 . . . . 1 1 75 75 ARG N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 26 . . . . 1 1 76 76 LYS N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 27 . . . . 1 1 77 77 VAL N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 28 . . . . 1 1 79 79 THR N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 29 . . . . 1 1 80 80 GLY N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 30 . . . . 1 1 81 81 LYS N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 31 . . . . 1 1 84 84 LYS N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 32 . . . . 1 1 85 85 MET N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 33 . . . . 1 1 86 86 GLY N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 34 . . . . 1 1 87 87 VAL N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 35 . . . . 1 1 88 88 SER N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 36 . . . . 1 1 89 89 GLU N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 37 . . . . 1 1 90 90 VAL N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 38 . . . . 1 1 91 91 GLU N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 39 . . . . 1 1 92 92 GLN N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 40 . . . . 1 1 93 93 CYS N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 41 . . . . 1 1 95 95 SER N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 42 . . . . 1 1 99 99 ALA N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 43 . . . . 1 1 101 101 ARG N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 44 . . . . 1 1 102 102 LEU N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 45 . . . . 1 1 103 103 VAL N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 46 . . . . 1 1 104 104 THR N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 47 . . . . 1 1 106 106 GLY N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 48 . . . . 1 1 108 108 THR N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 49 . . . . 1 1 114 114 GLY N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 50 . . . . 1 1 115 115 SER N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 51 . . . . 1 1 121 121 PHE N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 52 . . . . 1 1 122 122 ASP N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 53 . . . . 1 1 123 123 TYR N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 54 . . . . 1 1 125 125 PHE N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 55 . . . . 1 1 126 126 MET N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 56 . . . . 1 1 127 127 ASP N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 57 . . . . 1 1 138 138 ALA N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 58 . . . . 1 1 139 139 THR N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 59 . . . . 1 1 142 142 ILE N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 60 . . . . 1 1 143 143 ARG N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 61 . . . . 1 1 144 144 LYS N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 62 . . . . 1 1 145 145 VAL N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 63 . . . . 1 1 147 147 LYS N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 64 . . . . 1 1 149 149 TYR N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 65 . . . . 1 1 150 150 GLY N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 66 . . . . 1 1 151 151 VAL N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 67 . . . . 1 1 152 152 ARG N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 68 . . . . 1 1 153 153 THR N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 69 . . . . 1 1 155 155 ILE N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 70 . . . . 1 1 156 156 ILE N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 71 . . . . 1 1 157 157 ALA N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 72 . . . . 1 1 160 160 GLY N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 73 . . . . 1 1 162 162 ASP N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 74 . . . . 1 1 164 164 GLY N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 75 . . . . 1 1 165 165 SER N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 76 . . . . 1 1 166 166 GLU N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 77 . . . . 1 1 167 167 GLU N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 78 . . . . 1 1 170 170 GLU N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 79 . . . . 1 1 172 172 ILE N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 80 . . . . 1 1 174 174 ALA N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 81 . . . . 1 1 175 175 GLY N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 82 . . . . 1 1 177 177 ASP N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 83 . . . . 1 1 178 178 ALA N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 84 . . . . 1 1 179 179 PHE N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 85 . . . . 1 1 180 180 LEU N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 86 . . . . 1 1 183 183 SER N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 87 . . . . 1 1 185 185 ASN N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 88 . . . . 1 1 186 186 GLN N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 89 . . . . 1 1 187 187 LEU N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 90 . . . . 1 1 189 189 ASN N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 91 . . . . 1 1 192 192 ARG N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 92 . . . . 1 1 195 195 GLU N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 93 . . . . 1 1 196 196 SER N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 94 . . . . 1 1 197 197 LYS N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 95 . . . . 1 1 200 200 LEU N N 15 0.579902468691 . 11846991.0949 2833747.36409 . . . . . . . . . . . . . . . 11532101.0581 373140.65444 -1117426.8389 373140.65444 11123522.8604 -662160.397821 -1117426.8389 -662160.397821 12885349.3661 . . . . 16917 1 stop_ save_