data_26994 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26994 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for HSP27 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-01-12 _Entry.Accession_date 2017-01-12 _Entry.Last_release_date 2017-01-13 _Entry.Original_release_date 2017-01-13 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _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 Thomas Alderson . R. . . 26994 2 Justin Benesch . LP . . 26994 3 Andrew Baldwin . J. . . 26994 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26994 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 102 26994 '15N chemical shifts' 31 26994 '1H chemical shifts' 31 26994 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2017-07-20 2017-01-12 update BMRB 'update entry citation' 26994 1 . . 2017-05-09 2017-01-12 original author 'original release' 26994 stop_ save_ ############### # Citations # ############### save_human_hsp27_CTR _Citation.Sf_category citations _Citation.Sf_framecode human_hsp27_CTR _Citation.Entry_ID 26994 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 28547731 _Citation.Full_citation . _Citation.Title ; Proline isomerization in the C-terminal region of HSP27 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Cell Stress Chaperones' _Citation.Journal_name_full 'Cell stress & chaperones' _Citation.Journal_volume 22 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1466-1268 _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 639 _Citation.Page_last 651 _Citation.Year 2017 _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 'T Reid' Alderson T. R. . . 26994 1 2 Justin Benesch . . . . 26994 1 3 Andrew Baldwin A. J. . . 26994 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID disorder 26994 1 'intrinsically disordered region' 26994 1 'small heat shock protein' 26994 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26994 _Assembly.ID 1 _Assembly.Name HSP27 _Assembly.BMRB_code . _Assembly.Number_of_components . _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 . _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 'HSP27 trans, chain 1' 1 $HSP27 A . yes native no no . . . 26994 1 2 'HSP27 trans, chain 2' 1 $HSP27 B . yes native no no . . . 26994 1 3 'HSP27 cis, chain 1' 1 $HSP27 C . yes native yes no . . 'P194 is in the cis form' 26994 1 4 'HSP27 cis, chain 2' 1 $HSP27 D . yes native yes no . . 'P194 is in the cis form' 26994 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 137 137 SG . 2 . 1 CYS 137 137 SG . . . . . . . . . . 26994 1 2 disulfide single . 3 . 1 CYS 137 137 SG . 4 . 1 CYS 137 137 SG . . . . . . . . . . 26994 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HSP27 _Entity.Sf_category entity _Entity.Sf_framecode HSP27 _Entity.Entry_ID 26994 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HSP27 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(D) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MTERRVPFSLLRGPSWDPFR DWYPHSRLFDQAFGLPRLPE EWSQWLGGSSWPGYVRPLPP AAIESPAVAAPAYSRALSRQ LSSGVSEIRHTADRWRVSLD VNHFAPDELTVKTKDGVVEI TGKHEERQDEHGYISRCFTR KYTLPPGVDPTQVSSSLSPE GTLTVEAPMPKLATQSNEIT IPVTFESRAQLGGPEAAKSD ETAAK ; _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 205 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _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 . 26994 1 2 . THR . 26994 1 3 . GLU . 26994 1 4 . ARG . 26994 1 5 . ARG . 26994 1 6 . VAL . 26994 1 7 . PRO . 26994 1 8 . PHE . 26994 1 9 . SER . 26994 1 10 . LEU . 26994 1 11 . LEU . 26994 1 12 . ARG . 26994 1 13 . GLY . 26994 1 14 . PRO . 26994 1 15 . SER . 26994 1 16 . TRP . 26994 1 17 . ASP . 26994 1 18 . PRO . 26994 1 19 . PHE . 26994 1 20 . ARG . 26994 1 21 . ASP . 26994 1 22 . TRP . 26994 1 23 . TYR . 26994 1 24 . PRO . 26994 1 25 . HIS . 26994 1 26 . SER . 26994 1 27 . ARG . 26994 1 28 . LEU . 26994 1 29 . PHE . 26994 1 30 . ASP . 26994 1 31 . GLN . 26994 1 32 . ALA . 26994 1 33 . PHE . 26994 1 34 . GLY . 26994 1 35 . LEU . 26994 1 36 . PRO . 26994 1 37 . ARG . 26994 1 38 . LEU . 26994 1 39 . PRO . 26994 1 40 . GLU . 26994 1 41 . GLU . 26994 1 42 . TRP . 26994 1 43 . SER . 26994 1 44 . GLN . 26994 1 45 . TRP . 26994 1 46 . LEU . 26994 1 47 . GLY . 26994 1 48 . GLY . 26994 1 49 . SER . 26994 1 50 . SER . 26994 1 51 . TRP . 26994 1 52 . PRO . 26994 1 53 . GLY . 26994 1 54 . TYR . 26994 1 55 . VAL . 26994 1 56 . ARG . 26994 1 57 . PRO . 26994 1 58 . LEU . 26994 1 59 . PRO . 26994 1 60 . PRO . 26994 1 61 . ALA . 26994 1 62 . ALA . 26994 1 63 . ILE . 26994 1 64 . GLU . 26994 1 65 . SER . 26994 1 66 . PRO . 26994 1 67 . ALA . 26994 1 68 . VAL . 26994 1 69 . ALA . 26994 1 70 . ALA . 26994 1 71 . PRO . 26994 1 72 . ALA . 26994 1 73 . TYR . 26994 1 74 . SER . 26994 1 75 . ARG . 26994 1 76 . ALA . 26994 1 77 . LEU . 26994 1 78 . SER . 26994 1 79 . ARG . 26994 1 80 . GLN . 26994 1 81 . LEU . 26994 1 82 . SER . 26994 1 83 . SER . 26994 1 84 . GLY . 26994 1 85 . VAL . 26994 1 86 . SER . 26994 1 87 . GLU . 26994 1 88 . ILE . 26994 1 89 . ARG . 26994 1 90 . HIS . 26994 1 91 . THR . 26994 1 92 . ALA . 26994 1 93 . ASP . 26994 1 94 . ARG . 26994 1 95 . TRP . 26994 1 96 . ARG . 26994 1 97 . VAL . 26994 1 98 . SER . 26994 1 99 . LEU . 26994 1 100 . ASP . 26994 1 101 . VAL . 26994 1 102 . ASN . 26994 1 103 . HIS . 26994 1 104 . PHE . 26994 1 105 . ALA . 26994 1 106 . PRO . 26994 1 107 . ASP . 26994 1 108 . GLU . 26994 1 109 . LEU . 26994 1 110 . THR . 26994 1 111 . VAL . 26994 1 112 . LYS . 26994 1 113 . THR . 26994 1 114 . LYS . 26994 1 115 . ASP . 26994 1 116 . GLY . 26994 1 117 . VAL . 26994 1 118 . VAL . 26994 1 119 . GLU . 26994 1 120 . ILE . 26994 1 121 . THR . 26994 1 122 . GLY . 26994 1 123 . LYS . 26994 1 124 . HIS . 26994 1 125 . GLU . 26994 1 126 . GLU . 26994 1 127 . ARG . 26994 1 128 . GLN . 26994 1 129 . ASP . 26994 1 130 . GLU . 26994 1 131 . HIS . 26994 1 132 . GLY . 26994 1 133 . TYR . 26994 1 134 . ILE . 26994 1 135 . SER . 26994 1 136 . ARG . 26994 1 137 . CYS . 26994 1 138 . PHE . 26994 1 139 . THR . 26994 1 140 . ARG . 26994 1 141 . LYS . 26994 1 142 . TYR . 26994 1 143 . THR . 26994 1 144 . LEU . 26994 1 145 . PRO . 26994 1 146 . PRO . 26994 1 147 . GLY . 26994 1 148 . VAL . 26994 1 149 . ASP . 26994 1 150 . PRO . 26994 1 151 . THR . 26994 1 152 . GLN . 26994 1 153 . VAL . 26994 1 154 . SER . 26994 1 155 . SER . 26994 1 156 . SER . 26994 1 157 . LEU . 26994 1 158 . SER . 26994 1 159 . PRO . 26994 1 160 . GLU . 26994 1 161 . GLY . 26994 1 162 . THR . 26994 1 163 . LEU . 26994 1 164 . THR . 26994 1 165 . VAL . 26994 1 166 . GLU . 26994 1 167 . ALA . 26994 1 168 . PRO . 26994 1 169 . MET . 26994 1 170 . PRO . 26994 1 171 . LYS . 26994 1 172 . LEU . 26994 1 173 . ALA . 26994 1 174 . THR . 26994 1 175 . GLN . 26994 1 176 . SER . 26994 1 177 . ASN . 26994 1 178 . GLU . 26994 1 179 . ILE . 26994 1 180 . THR . 26994 1 181 . ILE . 26994 1 182 . PRO . 26994 1 183 . VAL . 26994 1 184 . THR . 26994 1 185 . PHE . 26994 1 186 . GLU . 26994 1 187 . SER . 26994 1 188 . ARG . 26994 1 189 . ALA . 26994 1 190 . GLN . 26994 1 191 . LEU . 26994 1 192 . GLY . 26994 1 193 . GLY . 26994 1 194 . PRO . 26994 1 195 . GLU . 26994 1 196 . ALA . 26994 1 197 . ALA . 26994 1 198 . LYS . 26994 1 199 . SER . 26994 1 200 . ASP . 26994 1 201 . GLU . 26994 1 202 . THR . 26994 1 203 . ALA . 26994 1 204 . ALA . 26994 1 205 . LYS . 26994 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 26994 1 . THR 2 2 26994 1 . GLU 3 3 26994 1 . ARG 4 4 26994 1 . ARG 5 5 26994 1 . VAL 6 6 26994 1 . PRO 7 7 26994 1 . PHE 8 8 26994 1 . SER 9 9 26994 1 . LEU 10 10 26994 1 . LEU 11 11 26994 1 . ARG 12 12 26994 1 . GLY 13 13 26994 1 . PRO 14 14 26994 1 . SER 15 15 26994 1 . TRP 16 16 26994 1 . ASP 17 17 26994 1 . PRO 18 18 26994 1 . PHE 19 19 26994 1 . ARG 20 20 26994 1 . ASP 21 21 26994 1 . TRP 22 22 26994 1 . TYR 23 23 26994 1 . PRO 24 24 26994 1 . HIS 25 25 26994 1 . SER 26 26 26994 1 . ARG 27 27 26994 1 . LEU 28 28 26994 1 . PHE 29 29 26994 1 . ASP 30 30 26994 1 . GLN 31 31 26994 1 . ALA 32 32 26994 1 . PHE 33 33 26994 1 . GLY 34 34 26994 1 . LEU 35 35 26994 1 . PRO 36 36 26994 1 . ARG 37 37 26994 1 . LEU 38 38 26994 1 . PRO 39 39 26994 1 . GLU 40 40 26994 1 . GLU 41 41 26994 1 . TRP 42 42 26994 1 . SER 43 43 26994 1 . GLN 44 44 26994 1 . TRP 45 45 26994 1 . LEU 46 46 26994 1 . GLY 47 47 26994 1 . GLY 48 48 26994 1 . SER 49 49 26994 1 . SER 50 50 26994 1 . TRP 51 51 26994 1 . PRO 52 52 26994 1 . GLY 53 53 26994 1 . TYR 54 54 26994 1 . VAL 55 55 26994 1 . ARG 56 56 26994 1 . PRO 57 57 26994 1 . LEU 58 58 26994 1 . PRO 59 59 26994 1 . PRO 60 60 26994 1 . ALA 61 61 26994 1 . ALA 62 62 26994 1 . ILE 63 63 26994 1 . GLU 64 64 26994 1 . SER 65 65 26994 1 . PRO 66 66 26994 1 . ALA 67 67 26994 1 . VAL 68 68 26994 1 . ALA 69 69 26994 1 . ALA 70 70 26994 1 . PRO 71 71 26994 1 . ALA 72 72 26994 1 . TYR 73 73 26994 1 . SER 74 74 26994 1 . ARG 75 75 26994 1 . ALA 76 76 26994 1 . LEU 77 77 26994 1 . SER 78 78 26994 1 . ARG 79 79 26994 1 . GLN 80 80 26994 1 . LEU 81 81 26994 1 . SER 82 82 26994 1 . SER 83 83 26994 1 . GLY 84 84 26994 1 . VAL 85 85 26994 1 . SER 86 86 26994 1 . GLU 87 87 26994 1 . ILE 88 88 26994 1 . ARG 89 89 26994 1 . HIS 90 90 26994 1 . THR 91 91 26994 1 . ALA 92 92 26994 1 . ASP 93 93 26994 1 . ARG 94 94 26994 1 . TRP 95 95 26994 1 . ARG 96 96 26994 1 . VAL 97 97 26994 1 . SER 98 98 26994 1 . LEU 99 99 26994 1 . ASP 100 100 26994 1 . VAL 101 101 26994 1 . ASN 102 102 26994 1 . HIS 103 103 26994 1 . PHE 104 104 26994 1 . ALA 105 105 26994 1 . PRO 106 106 26994 1 . ASP 107 107 26994 1 . GLU 108 108 26994 1 . LEU 109 109 26994 1 . THR 110 110 26994 1 . VAL 111 111 26994 1 . LYS 112 112 26994 1 . THR 113 113 26994 1 . LYS 114 114 26994 1 . ASP 115 115 26994 1 . GLY 116 116 26994 1 . VAL 117 117 26994 1 . VAL 118 118 26994 1 . GLU 119 119 26994 1 . ILE 120 120 26994 1 . THR 121 121 26994 1 . GLY 122 122 26994 1 . LYS 123 123 26994 1 . HIS 124 124 26994 1 . GLU 125 125 26994 1 . GLU 126 126 26994 1 . ARG 127 127 26994 1 . GLN 128 128 26994 1 . ASP 129 129 26994 1 . GLU 130 130 26994 1 . HIS 131 131 26994 1 . GLY 132 132 26994 1 . TYR 133 133 26994 1 . ILE 134 134 26994 1 . SER 135 135 26994 1 . ARG 136 136 26994 1 . CYS 137 137 26994 1 . PHE 138 138 26994 1 . THR 139 139 26994 1 . ARG 140 140 26994 1 . LYS 141 141 26994 1 . TYR 142 142 26994 1 . THR 143 143 26994 1 . LEU 144 144 26994 1 . PRO 145 145 26994 1 . PRO 146 146 26994 1 . GLY 147 147 26994 1 . VAL 148 148 26994 1 . ASP 149 149 26994 1 . PRO 150 150 26994 1 . THR 151 151 26994 1 . GLN 152 152 26994 1 . VAL 153 153 26994 1 . SER 154 154 26994 1 . SER 155 155 26994 1 . SER 156 156 26994 1 . LEU 157 157 26994 1 . SER 158 158 26994 1 . PRO 159 159 26994 1 . GLU 160 160 26994 1 . GLY 161 161 26994 1 . THR 162 162 26994 1 . LEU 163 163 26994 1 . THR 164 164 26994 1 . VAL 165 165 26994 1 . GLU 166 166 26994 1 . ALA 167 167 26994 1 . PRO 168 168 26994 1 . MET 169 169 26994 1 . PRO 170 170 26994 1 . LYS 171 171 26994 1 . LEU 172 172 26994 1 . ALA 173 173 26994 1 . THR 174 174 26994 1 . GLN 175 175 26994 1 . SER 176 176 26994 1 . ASN 177 177 26994 1 . GLU 178 178 26994 1 . ILE 179 179 26994 1 . THR 180 180 26994 1 . ILE 181 181 26994 1 . PRO 182 182 26994 1 . VAL 183 183 26994 1 . THR 184 184 26994 1 . PHE 185 185 26994 1 . GLU 186 186 26994 1 . SER 187 187 26994 1 . ARG 188 188 26994 1 . ALA 189 189 26994 1 . GLN 190 190 26994 1 . LEU 191 191 26994 1 . GLY 192 192 26994 1 . GLY 193 193 26994 1 . PRO 194 194 26994 1 . GLU 195 195 26994 1 . ALA 196 196 26994 1 . ALA 197 197 26994 1 . LYS 198 198 26994 1 . SER 199 199 26994 1 . ASP 200 200 26994 1 . GLU 201 201 26994 1 . THR 202 202 26994 1 . ALA 203 203 26994 1 . ALA 204 204 26994 1 . LYS 205 205 26994 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 26994 _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 $HSP27 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli BL21-Gold(DE3) . . . . . . . . . . . . 26994 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 26994 _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 $HSP27 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET . . . 26994 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26994 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '2 mM [U-13C,15N]-HSP27 in 30 mM NaH2PO4, 2 mM EDTA, 100 mM NaCl, 2 mM NaN3, pH 7, 298 K' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 HSP27 '[U-13C; U-15N]' . . 1 $HSP27 . . 2 . . mM . . . . 26994 1 2 NaH2PO4 'natural abundance' . . . . . . 30 . . mM . . . . 26994 1 3 EDTA 'natural abundance' . . . . . . 2 . . mM . . . . 26994 1 4 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 26994 1 5 NaN3 'natural abundance' . . . . . . 2 . . mM . . . . 26994 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 26994 _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' 130 . mM 26994 1 pH 7.0 . pH 26994 1 pressure 1 . atm 26994 1 temperature 298 . K 26994 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 26994 _Software.ID 1 _Software.Name NMRPipe _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' . . 26994 1 Goddard . . 26994 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26994 1 processing 26994 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 26994 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 26994 _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 Varian INOVA . 600 . . . 26994 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 26994 _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 . . . . . . . . . . . . . . . . 26994 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26994 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26994 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26994 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26994 1 6 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26994 1 7 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26994 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 26994 _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 water protons . . . . ppm 1 internal indirect 0.251449530 . . . . . 26994 1 H 1 water protons . . . . ppm 4.773 internal direct 1 . . . . . 26994 1 N 15 water protons . . . . ppm 1 internal indirect 0.101329118 . . . . . 26994 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 26994 _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' . . . 26994 1 2 '3D HNCO' . . . 26994 1 3 '3D HNCA' . . . 26994 1 4 '3D HNCACB' . . . 26994 1 5 '3D HN(CO)CA' . . . 26994 1 6 '3D HN(CA)CO' . . . 26994 1 7 '3D C(CO)NH' . . . 26994 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 1 178 178 GLU H H 1 8.325 0.01 . . . . . . 178 E HN . 26994 1 2 . 1 1 178 178 GLU C C 13 176.282 0.1 . . . . . . 178 E C . 26994 1 3 . 1 1 178 178 GLU CA C 13 56.623 0.1 . . . . . . 178 E CA . 26994 1 4 . 1 1 178 178 GLU CB C 13 30.413 0.1 . . . . . . 178 E CB . 26994 1 5 . 1 1 178 178 GLU N N 15 120.942 0.05 . . . . . . 178 E N . 26994 1 6 . 1 1 179 179 ILE H H 1 8.205 0.01 . . . . . . 179 I HN . 26994 1 7 . 1 1 179 179 ILE C C 13 176.444 0.1 . . . . . . 179 I C . 26994 1 8 . 1 1 179 179 ILE CA C 13 61.084 0.1 . . . . . . 179 I CA . 26994 1 9 . 1 1 179 179 ILE CB C 13 38.74 0.1 . . . . . . 179 I CB . 26994 1 10 . 1 1 179 179 ILE N N 15 122.151 0.05 . . . . . . 179 I N . 26994 1 11 . 1 1 180 180 THR H H 1 8.28 0.01 . . . . . . 180 T HN . 26994 1 12 . 1 1 180 180 THR C C 13 174.08 0.1 . . . . . . 180 T C . 26994 1 13 . 1 1 180 180 THR CA C 13 61.701 0.1 . . . . . . 180 T CA . 26994 1 14 . 1 1 180 180 THR CB C 13 69.809 0.1 . . . . . . 180 T CB . 26994 1 15 . 1 1 180 180 THR N N 15 119.595 0.05 . . . . . . 180 T N . 26994 1 16 . 1 1 182 182 PRO C C 13 176.739 0.1 . . . . . . 182 P C . 26994 1 17 . 1 1 182 182 PRO CA C 13 62.986 0.1 . . . . . . 182 P CA . 26994 1 18 . 1 1 182 182 PRO CB C 13 32.482 0.1 . . . . . . 182 P CB . 26994 1 19 . 1 1 183 183 VAL H H 1 8.241 0.01 . . . . . . 183 V HN . 26994 1 20 . 1 1 183 183 VAL C C 13 176.318 0.1 . . . . . . 183 V C . 26994 1 21 . 1 1 183 183 VAL CA C 13 62.325 0.1 . . . . . . 183 V CA . 26994 1 22 . 1 1 183 183 VAL CB C 13 32.962 0.1 . . . . . . 183 V CB . 26994 1 23 . 1 1 183 183 VAL N N 15 120.61 0.05 . . . . . . 183 V N . 26994 1 24 . 1 1 184 184 THR H H 1 8.069 0.01 . . . . . . 184 T HN . 26994 1 25 . 1 1 184 184 THR C C 13 174.167 0.1 . . . . . . 184 T C . 26994 1 26 . 1 1 184 184 THR CA C 13 61.215 0.1 . . . . . . 184 T CA . 26994 1 27 . 1 1 184 184 THR CB C 13 70.134 0.1 . . . . . . 184 T CB . 26994 1 28 . 1 1 184 184 THR N N 15 117.164 0.05 . . . . . . 184 T N . 26994 1 29 . 1 1 185 185 PHE H H 1 8.233 0.01 . . . . . . 185 F HN . 26994 1 30 . 1 1 185 185 PHE C C 13 174.354 0.1 . . . . . . 185 F C . 26994 1 31 . 1 1 185 185 PHE CA C 13 58.502 0.1 . . . . . . 185 F CA . 26994 1 32 . 1 1 185 185 PHE CB C 13 38.729 0.1 . . . . . . 185 F CB . 26994 1 33 . 1 1 185 185 PHE N N 15 125.721 0.05 . . . . . . 185 F N . 26994 1 34 . 1 1 186 186 GLU C C 13 176.324 0.1 . . . . . . 186 E C . 26994 1 35 . 1 1 186 186 GLU CA C 13 56.607 0.1 . . . . . . 186 E CA . 26994 1 36 . 1 1 187 187 SER H H 1 8.33 0.01 . . . . . . 187 S HN . 26994 1 37 . 1 1 187 187 SER C C 13 174.906 0.1 . . . . . . 187 S C . 26994 1 38 . 1 1 187 187 SER CA C 13 58.444 0.1 . . . . . . 187 S CA . 26994 1 39 . 1 1 187 187 SER CB C 13 63.73 0.1 . . . . . . 187 S CB . 26994 1 40 . 1 1 187 187 SER N N 15 117.236 0.05 . . . . . . 187 S N . 26994 1 41 . 1 1 188 188 ARG H H 1 8.357 0.01 . . . . . . 188 R HN . 26994 1 42 . 1 1 188 188 ARG C C 13 176.199 0.1 . . . . . . 188 R C . 26994 1 43 . 1 1 188 188 ARG CA C 13 56.218 0.1 . . . . . . 188 R CA . 26994 1 44 . 1 1 188 188 ARG CB C 13 30.711 0.1 . . . . . . 188 R CB . 26994 1 45 . 1 1 188 188 ARG N N 15 123.12 0.05 . . . . . . 188 R N . 26994 1 46 . 1 1 189 189 ALA H H 1 8.235 0.01 . . . . . . 189 A HN . 26994 1 47 . 1 1 189 189 ALA C C 13 177.719 0.1 . . . . . . 189 A C . 26994 1 48 . 1 1 189 189 ALA CA C 13 52.803 0.1 . . . . . . 189 A CA . 26994 1 49 . 1 1 189 189 ALA CB C 13 19.229 0.1 . . . . . . 189 A CB . 26994 1 50 . 1 1 189 189 ALA N N 15 124.622 0.05 . . . . . . 189 A N . 26994 1 51 . 1 1 190 190 GLN H H 1 8.289 0.01 . . . . . . 190 Q HN . 26994 1 52 . 1 1 190 190 GLN C C 13 176.047 0.1 . . . . . . 190 Q C . 26994 1 53 . 1 1 190 190 GLN CA C 13 55.794 0.1 . . . . . . 190 Q CA . 26994 1 54 . 1 1 190 190 GLN CB C 13 29.336 0.1 . . . . . . 190 Q CB . 26994 1 55 . 1 1 190 190 GLN N N 15 119.287 0.05 . . . . . . 190 Q N . 26994 1 56 . 1 1 191 191 LEU H H 1 8.26 0.01 . . . . . . 191 L HN . 26994 1 57 . 1 1 191 191 LEU C C 13 177.852 0.1 . . . . . . 191 L C . 26994 1 58 . 1 1 191 191 LEU CA C 13 55.437 0.1 . . . . . . 191 L CA . 26994 1 59 . 1 1 191 191 LEU CB C 13 42.397 0.1 . . . . . . 191 L CB . 26994 1 60 . 1 1 191 191 LEU N N 15 123.465 0.05 . . . . . . 191 L N . 26994 1 61 . 1 1 192 192 GLY H H 1 8.423 0.01 . . . . . . 192 G HN . 26994 1 62 . 1 1 192 192 GLY C C 13 174.306 0.1 . . . . . . 192 G C . 26994 1 63 . 1 1 192 192 GLY CA C 13 45.174 0.1 . . . . . . 192 G CA . 26994 1 64 . 1 1 192 192 GLY N N 15 109.64 0.05 . . . . . . 192 G N . 26994 1 65 . 1 1 193 193 GLY H H 1 8.168 0.01 . . . . . . 193 G HN . 26994 1 66 . 1 1 193 193 GLY C C 13 174.26 0.1 . . . . . . 193 G C . 26994 1 67 . 1 1 193 193 GLY CA C 13 44.646 0.1 . . . . . . 193 G CA . 26994 1 68 . 1 1 193 193 GLY N N 15 108.845 0.05 . . . . . . 193 G N . 26994 1 69 . 1 1 194 194 PRO C C 13 177.55 0.1 . . . . . . 194 P C . 26994 1 70 . 1 1 194 194 PRO CA C 13 63.554 0.1 . . . . . . 194 P CA . 26994 1 71 . 1 1 194 194 PRO CB C 13 32.167 0.1 . . . . . . 194 P CB . 26994 1 72 . 1 1 194 194 PRO CG C 13 27.291 0.1 . . . . . . 194 P CG . 26994 1 73 . 1 1 194 194 PRO CD C 13 49.841 0.1 . . . . . . 194 P CD . 26994 1 74 . 1 1 195 195 GLU H H 1 8.616 0.01 . . . . . . 195 E HN . 26994 1 75 . 1 1 195 195 GLU C C 13 176.531 0.1 . . . . . . 195 E C . 26994 1 76 . 1 1 195 195 GLU CA C 13 56.782 0.1 . . . . . . 195 E CA . 26994 1 77 . 1 1 195 195 GLU CB C 13 29.978 0.1 . . . . . . 195 E CB . 26994 1 78 . 1 1 195 195 GLU N N 15 120.55 0.05 . . . . . . 195 E N . 26994 1 79 . 1 1 196 196 ALA H H 1 8.161 0.01 . . . . . . 196 A HN . 26994 1 80 . 1 1 196 196 ALA C C 13 177.545 0.1 . . . . . . 196 A C . 26994 1 81 . 1 1 196 196 ALA CA C 13 52.514 0.1 . . . . . . 196 A CA . 26994 1 82 . 1 1 196 196 ALA CB C 13 19.226 0.1 . . . . . . 196 A CB . 26994 1 83 . 1 1 196 196 ALA N N 15 124.902 0.05 . . . . . . 196 A N . 26994 1 84 . 1 1 197 197 ALA H H 1 8.172 0.01 . . . . . . 197 A HN . 26994 1 85 . 1 1 197 197 ALA C C 13 177.802 0.1 . . . . . . 197 A C . 26994 1 86 . 1 1 197 197 ALA CA C 13 52.476 0.1 . . . . . . 197 A CA . 26994 1 87 . 1 1 197 197 ALA CB C 13 19.226 0.1 . . . . . . 197 A CB . 26994 1 88 . 1 1 197 197 ALA N N 15 123.134 0.05 . . . . . . 197 A N . 26994 1 89 . 1 1 198 198 LYS H H 1 8.267 0.01 . . . . . . 198 K HN . 26994 1 90 . 1 1 198 198 LYS C C 13 176.84 0.1 . . . . . . 198 K C . 26994 1 91 . 1 1 198 198 LYS CA C 13 56.219 0.1 . . . . . . 198 K CA . 26994 1 92 . 1 1 198 198 LYS CB C 13 33.118 0.1 . . . . . . 198 K CB . 26994 1 93 . 1 1 198 198 LYS N N 15 120.884 0.05 . . . . . . 198 K N . 26994 1 94 . 1 1 199 199 SER H H 1 8.372 0.01 . . . . . . 199 S HN . 26994 1 95 . 1 1 199 199 SER C C 13 174.341 0.1 . . . . . . 199 S C . 26994 1 96 . 1 1 199 199 SER CA C 13 58.356 0.1 . . . . . . 199 S CA . 26994 1 97 . 1 1 199 199 SER CB C 13 63.912 0.1 . . . . . . 199 S CB . 26994 1 98 . 1 1 199 199 SER N N 15 117.256 0.05 . . . . . . 199 S N . 26994 1 99 . 1 1 200 200 ASP H H 1 8.415 0.01 . . . . . . 200 D HN . 26994 1 100 . 1 1 200 200 ASP C C 13 176.581 0.1 . . . . . . 200 D C . 26994 1 101 . 1 1 200 200 ASP CA C 13 54.381 0.1 . . . . . . 200 D CA . 26994 1 102 . 1 1 200 200 ASP CB C 13 41.139 0.1 . . . . . . 200 D CB . 26994 1 103 . 1 1 200 200 ASP N N 15 122.346 0.05 . . . . . . 200 D N . 26994 1 104 . 1 1 201 201 GLU H H 1 8.449 0.01 . . . . . . 201 E HN . 26994 1 105 . 1 1 201 201 GLU C C 13 176.995 0.1 . . . . . . 201 E C . 26994 1 106 . 1 1 201 201 GLU CA C 13 57.037 0.1 . . . . . . 201 E CA . 26994 1 107 . 1 1 201 201 GLU CB C 13 30.163 0.1 . . . . . . 201 E CB . 26994 1 108 . 1 1 201 201 GLU N N 15 121.565 0.05 . . . . . . 201 E N . 26994 1 109 . 1 1 202 202 THR H H 1 8.225 0.01 . . . . . . 202 T HN . 26994 1 110 . 1 1 202 202 THR C C 13 174.422 0.1 . . . . . . 202 T C . 26994 1 111 . 1 1 202 202 THR CA C 13 62.283 0.1 . . . . . . 202 T CA . 26994 1 112 . 1 1 202 202 THR CB C 13 69.684 0.1 . . . . . . 202 T CB . 26994 1 113 . 1 1 202 202 THR N N 15 114.642 0.05 . . . . . . 202 T N . 26994 1 114 . 1 1 203 203 ALA H H 1 8.133 0.01 . . . . . . 203 A HN . 26994 1 115 . 1 1 203 203 ALA C C 13 177.237 0.1 . . . . . . 203 A C . 26994 1 116 . 1 1 203 203 ALA CA C 13 52.413 0.1 . . . . . . 203 A CA . 26994 1 117 . 1 1 203 203 ALA CB C 13 19.371 0.1 . . . . . . 203 A CB . 26994 1 118 . 1 1 203 203 ALA N N 15 126.429 0.05 . . . . . . 203 A N . 26994 1 119 . 1 1 204 204 ALA H H 1 8.207 0.01 . . . . . . 204 A HN . 26994 1 120 . 1 1 204 204 ALA C C 13 176.764 0.1 . . . . . . 204 A C . 26994 1 121 . 1 1 204 204 ALA CA C 13 52.494 0.1 . . . . . . 204 A CA . 26994 1 122 . 1 1 204 204 ALA CB C 13 19.201 0.1 . . . . . . 204 A CB . 26994 1 123 . 1 1 204 204 ALA N N 15 124.169 0.05 . . . . . . 204 A N . 26994 1 124 . 1 1 205 205 LYS H H 1 7.886 0.01 . . . . . . 205 K HN . 26994 1 125 . 1 1 205 205 LYS C C 13 181.423 0.1 . . . . . . 205 K C . 26994 1 126 . 1 1 205 205 LYS CA C 13 57.586 0.1 . . . . . . 205 K CA . 26994 1 127 . 1 1 205 205 LYS CB C 13 33.822 0.1 . . . . . . 205 K CB . 26994 1 128 . 1 1 205 205 LYS N N 15 126.015 0.05 . . . . . . 205 K N . 26994 1 129 . 3 1 190 190 GLN H H 1 8.367 0.01 . . . . . . 190 Q HN . 26994 1 130 . 3 1 190 190 GLN C C 13 176.118 0.1 . . . . . . 190 Q C . 26994 1 131 . 3 1 190 190 GLN CA C 13 55.695 0.1 . . . . . . 190 Q CA . 26994 1 132 . 3 1 190 190 GLN CB C 13 29.28 0.1 . . . . . . 190 Q CB . 26994 1 133 . 3 1 190 190 GLN N N 15 119.539 0.05 . . . . . . 190 Q N . 26994 1 134 . 3 1 192 192 GLY H H 1 8.38 0.01 . . . . . . 192 G HN . 26994 1 135 . 3 1 192 192 GLY C C 13 174.374 0.1 . . . . . . 192 G C . 26994 1 136 . 3 1 192 192 GLY CA C 13 45.210 0.1 . . . . . . 192 G CA . 26994 1 137 . 3 1 192 192 GLY N N 15 109.64 0.05 . . . . . . 192 G N . 26994 1 138 . 3 1 193 193 GLY H H 1 8.168 0.01 . . . . . . 193 G HN . 26994 1 139 . 3 1 193 193 GLY C C 13 174.26 0.1 . . . . . . 193 G C . 26994 1 140 . 3 1 193 193 GLY CA C 13 44.646 0.1 . . . . . . 193 G CA . 26994 1 141 . 3 1 193 193 GLY N N 15 108.845 0.05 . . . . . . 193 G N . 26994 1 142 . 3 1 194 194 PRO C C 13 176.653 0.1 . . . . . . 194 P C . 26994 1 143 . 3 1 194 194 PRO CA C 13 62.602 0.1 . . . . . . 194 P CA . 26994 1 144 . 3 1 194 194 PRO CB C 13 34.731 0.1 . . . . . . 194 P CB . 26994 1 145 . 3 1 195 195 GLU H H 1 8.711 0.01 . . . . . . 195 E HN . 26994 1 146 . 3 1 195 195 GLU C C 13 176.151 0.1 . . . . . . 195 E C . 26994 1 147 . 3 1 195 195 GLU CA C 13 56.73 0.1 . . . . . . 195 E CA . 26994 1 148 . 3 1 195 195 GLU CB C 13 30.24 0.1 . . . . . . 195 E CB . 26994 1 149 . 3 1 195 195 GLU N N 15 122.173 0.05 . . . . . . 195 E N . 26994 1 150 . 3 1 196 196 ALA H H 1 8.466 0.01 . . . . . . 196 A HN . 26994 1 151 . 3 1 196 196 ALA C C 13 177.36 0.1 . . . . . . 196 A C . 26994 1 152 . 3 1 196 196 ALA CA C 13 52.415 0.1 . . . . . . 196 A CA . 26994 1 153 . 3 1 196 196 ALA CB C 13 19.358 0.1 . . . . . . 196 A CB . 26994 1 154 . 3 1 196 196 ALA N N 15 125.774 0.05 . . . . . . 196 A N . 26994 1 155 . 3 1 197 197 ALA H H 1 8.322 0.01 . . . . . . 197 A HN . 26994 1 156 . 3 1 197 197 ALA C C 13 177.769 0.1 . . . . . . 197 A C . 26994 1 157 . 3 1 197 197 ALA CA C 13 52.415 0.1 . . . . . . 197 A CA . 26994 1 158 . 3 1 197 197 ALA CB C 13 19.358 0.1 . . . . . . 197 A CB . 26994 1 159 . 3 1 197 197 ALA N N 15 123.75 0.05 . . . . . . 197 A N . 26994 1 160 . 3 1 198 198 LYS H H 1 8.366 0.01 . . . . . . 198 K HN . 26994 1 161 . 3 1 198 198 LYS C C 13 176.81 0.1 . . . . . . 198 K C . 26994 1 162 . 3 1 198 198 LYS CA C 13 56.135 0.1 . . . . . . 198 K CA . 26994 1 163 . 3 1 198 198 LYS CB C 13 33.216 0.1 . . . . . . 198 K CB . 26994 1 164 . 3 1 198 198 LYS N N 15 121.262 0.05 . . . . . . 198 K N . 26994 1 stop_ save_