data_26515 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26515 _Entry.Title ; Targeting and Maturation of Erv1/ALR in the Mitochondrial Intermembrane Space ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-02-20 _Entry.Accession_date 2015-02-20 _Entry.Last_release_date 2015-03-10 _Entry.Original_release_date 2015-03-10 _Entry.Origination BMRB _Entry.NMR_STAR_version 3.1.1.61 _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.Entry_ID 1 Emmanouela Kallergi . . . 26515 2 Maria Andreadaki . . . 26515 3 Paraskevi Kritsiligkou . . . 26515 4 Nitsa Katrakili . . . 26515 5 Charalambos Pozidis . . . 26515 6 Kostas Tokatlidis . . . 26515 7 Lucia Banci . . . 26515 8 Ivano Bertini . . . 26515 9 Chiara Cefaro . . . 26515 10 Simone Ciofi-Baffoni . . . 26515 11 Karolina Gajda . . . 26515 12 Riccardo Peruzzini . . . 26515 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Institute of Molecular Biology and Biotechnology, Foundation for Research and Technology Hellas, Heraklion 71110, Crete, Greece' . 26515 2 . 'Department of Biology, University of Crete, Heraklion 71409, Crete, Greece' . 26515 3 . 'Department of Materials Science and Technology, University of Crete, Heraklion 71003, Crete, Greece' . 26515 4 . 'Magnetic Resonance Center CERM, University of Florence, Via Luigi Sacconi 6, 50019 Sesto Fiorentino, Florence, Italy' . 26515 5 . 'Department of Chemistry, University of Florence, Via della Lastruccia 3, 50019 Sesto Fiorentino, Florence, Italy' . 26515 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID heteronucl_NOEs 1 26515 heteronucl_T2_relaxation 1 26515 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID 'heteronuclear NOE values' 43 26515 'T2 relaxation values' 41 26515 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2015-03-10 2015-02-20 original author . 26515 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 26533 'E. coli-purified sf-ALR' 26515 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26515 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22296668 _Citation.Full_citation . _Citation.Title 'Targeting and Maturation of Erv1/ALR in the Mitochondrial Intermembrane Space' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'ACS Chem. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 7 _Citation.Journal_issue 4 _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 707 _Citation.Page_last 714 _Citation.Year 2012 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Emmanouela Kallergi . . . 26515 1 2 Maria Andreadaki . . . 26515 1 3 Paraskevi Kritsiligkou . . . 26515 1 4 Nitsa Katrakili . . . 26515 1 5 Charalambos Pozidis . . . 26515 1 6 Kostas Tokatlidis . . . 26515 1 7 Lucia Banci . . . 26515 1 8 Ivano Bertini . . . 26515 1 9 Chiara Cefaro . . . 26515 1 10 Simone Ciofi-Baffoni . . . 26515 1 11 Karolina Gajda . . . 26515 1 12 Riccardo Peruzzini . . . 26515 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26515 _Assembly.ID 1 _Assembly.Name sf-ALR _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 'FAD-free sf-ALR, chain 1' 1 $sf-ALR A . yes native no no . . . 26515 1 2 'FAD-free sf-ALR, chain 2' 1 $sf-ALR A . yes native no no . . . 26515 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 15 15 SG . 1 . 1 CYS 124 124 SG . . . . . . . . . . 26515 1 2 disulfide single . 1 . 1 CYS 62 62 SG . 1 . 1 CYS 65 65 SG . . . . . . . . . . 26515 1 3 disulfide single . 1 . 1 CYS 91 91 SG . 1 . 1 CYS 108 108 SG . . . . . . . . . . 26515 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_sf-ALR _Entity.Sf_category entity _Entity.Sf_framecode sf-ALR _Entity.Entry_ID 26515 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name sf-ALR _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 ; MRTQQKRDTKFREDCPPDRE ELGRHSWAVLHTLAAYYPDL PTPEQQQDMAQFIHLFSKFY PCEECAEDLRKRLARNHPDT RTRAAFTQWLCHLHNEVNRK LGKPDFDCSKVDERWRDGWK DGSCD ; _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 125 _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 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 18029 . sf-ALR . . . . . 100.00 129 100.00 100.00 3.27e-87 . . . . 26515 1 2 no BMRB 26533 . sf-ALR . . . . . 100.00 125 100.00 100.00 3.27e-87 . . . . 26515 1 3 no PDB 3MBG . "Crystal Structure Of Human Augmenter Of Liver Regeneration (Alr)" . . . . . 100.00 139 100.00 100.00 2.09e-87 . . . . 26515 1 4 no PDB 3O55 . "Crystal Structure Of Human Fad-Linked Augmenter Of Liver Regeneration (Alr)" . . . . . 100.00 125 100.00 100.00 3.27e-87 . . . . 26515 1 5 no PDB 3TK0 . "Mutation Of Sfalr" . . . . . 100.00 126 99.20 99.20 2.05e-86 . . . . 26515 1 6 no PDB 3U2L . "Crystal Structure Of Human Alr Mutant C142s" . . . . . 92.00 115 99.13 99.13 1.09e-78 . . . . 26515 1 7 no PDB 3U2M . "Crystal Structure Of Human Alr Mutant C142145S" . . . . . 92.00 115 98.26 98.26 8.32e-78 . . . . 26515 1 8 no PDB 4LDK . "Fad-linked Sulfhydryl Oxidase Alr Mutation" . . . . . 100.00 126 98.40 98.40 2.64e-85 . . . . 26515 1 9 no DBJ BAI46852 . "growth factor, augmenter of liver regeneration [synthetic construct]" . . . . . 100.00 205 98.40 98.40 2.76e-85 . . . . 26515 1 10 no EMBL CAB87993 . "augmenter of liver regeneration [Homo sapiens]" . . . . . 100.00 204 98.40 98.40 8.38e-85 . . . . 26515 1 11 no GB AAA96390 . "ERV1 [Homo sapiens]" . . . . . 100.00 125 98.40 98.40 2.79e-85 . . . . 26515 1 12 no GB AAD17327 . "hepatopoietin HPO1 [Homo sapiens]" . . . . . 96.00 131 97.50 98.33 3.22e-81 . . . . 26515 1 13 no GB AAD17328 . "hepatopoietin HPO2 [Homo sapiens]" . . . . . 100.00 125 98.40 98.40 2.79e-85 . . . . 26515 1 14 no GB AAD36986 . "augmenter of liver regeneration [Homo sapiens]" . . . . . 100.00 125 98.40 98.40 2.79e-85 . . . . 26515 1 15 no GB AAG43494 . "truncated augmenter of liver regeneration [Homo sapiens]" . . . . . 69.60 94 97.70 97.70 4.86e-54 . . . . 26515 1 16 no REF NP_005253 . "FAD-linked sulfhydryl oxidase ALR [Homo sapiens]" . . . . . 100.00 205 98.40 98.40 2.76e-85 . . . . 26515 1 17 no REF XP_004057029 . "PREDICTED: FAD-linked sulfhydryl oxidase ALR [Gorilla gorilla gorilla]" . . . . . 100.00 205 97.60 97.60 1.88e-84 . . . . 26515 1 18 no REF XP_007980253 . "PREDICTED: FAD-linked sulfhydryl oxidase ALR isoform X1 [Chlorocebus sabaeus]" . . . . . 100.00 205 97.60 97.60 2.47e-84 . . . . 26515 1 19 no SP P55789 . "RecName: Full=FAD-linked sulfhydryl oxidase ALR; AltName: Full=Augmenter of liver regeneration; Short=hERV1; AltName: Full=Hepa" . . . . . 100.00 205 98.40 98.40 2.76e-85 . . . . 26515 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 26515 1 2 2 ARG . 26515 1 3 3 THR . 26515 1 4 4 GLN . 26515 1 5 5 GLN . 26515 1 6 6 LYS . 26515 1 7 7 ARG . 26515 1 8 8 ASP . 26515 1 9 9 THR . 26515 1 10 10 LYS . 26515 1 11 11 PHE . 26515 1 12 12 ARG . 26515 1 13 13 GLU . 26515 1 14 14 ASP . 26515 1 15 15 CYS . 26515 1 16 16 PRO . 26515 1 17 17 PRO . 26515 1 18 18 ASP . 26515 1 19 19 ARG . 26515 1 20 20 GLU . 26515 1 21 21 GLU . 26515 1 22 22 LEU . 26515 1 23 23 GLY . 26515 1 24 24 ARG . 26515 1 25 25 HIS . 26515 1 26 26 SER . 26515 1 27 27 TRP . 26515 1 28 28 ALA . 26515 1 29 29 VAL . 26515 1 30 30 LEU . 26515 1 31 31 HIS . 26515 1 32 32 THR . 26515 1 33 33 LEU . 26515 1 34 34 ALA . 26515 1 35 35 ALA . 26515 1 36 36 TYR . 26515 1 37 37 TYR . 26515 1 38 38 PRO . 26515 1 39 39 ASP . 26515 1 40 40 LEU . 26515 1 41 41 PRO . 26515 1 42 42 THR . 26515 1 43 43 PRO . 26515 1 44 44 GLU . 26515 1 45 45 GLN . 26515 1 46 46 GLN . 26515 1 47 47 GLN . 26515 1 48 48 ASP . 26515 1 49 49 MET . 26515 1 50 50 ALA . 26515 1 51 51 GLN . 26515 1 52 52 PHE . 26515 1 53 53 ILE . 26515 1 54 54 HIS . 26515 1 55 55 LEU . 26515 1 56 56 PHE . 26515 1 57 57 SER . 26515 1 58 58 LYS . 26515 1 59 59 PHE . 26515 1 60 60 TYR . 26515 1 61 61 PRO . 26515 1 62 62 CYS . 26515 1 63 63 GLU . 26515 1 64 64 GLU . 26515 1 65 65 CYS . 26515 1 66 66 ALA . 26515 1 67 67 GLU . 26515 1 68 68 ASP . 26515 1 69 69 LEU . 26515 1 70 70 ARG . 26515 1 71 71 LYS . 26515 1 72 72 ARG . 26515 1 73 73 LEU . 26515 1 74 74 ALA . 26515 1 75 75 ARG . 26515 1 76 76 ASN . 26515 1 77 77 HIS . 26515 1 78 78 PRO . 26515 1 79 79 ASP . 26515 1 80 80 THR . 26515 1 81 81 ARG . 26515 1 82 82 THR . 26515 1 83 83 ARG . 26515 1 84 84 ALA . 26515 1 85 85 ALA . 26515 1 86 86 PHE . 26515 1 87 87 THR . 26515 1 88 88 GLN . 26515 1 89 89 TRP . 26515 1 90 90 LEU . 26515 1 91 91 CYS . 26515 1 92 92 HIS . 26515 1 93 93 LEU . 26515 1 94 94 HIS . 26515 1 95 95 ASN . 26515 1 96 96 GLU . 26515 1 97 97 VAL . 26515 1 98 98 ASN . 26515 1 99 99 ARG . 26515 1 100 100 LYS . 26515 1 101 101 LEU . 26515 1 102 102 GLY . 26515 1 103 103 LYS . 26515 1 104 104 PRO . 26515 1 105 105 ASP . 26515 1 106 106 PHE . 26515 1 107 107 ASP . 26515 1 108 108 CYS . 26515 1 109 109 SER . 26515 1 110 110 LYS . 26515 1 111 111 VAL . 26515 1 112 112 ASP . 26515 1 113 113 GLU . 26515 1 114 114 ARG . 26515 1 115 115 TRP . 26515 1 116 116 ARG . 26515 1 117 117 ASP . 26515 1 118 118 GLY . 26515 1 119 119 TRP . 26515 1 120 120 LYS . 26515 1 121 121 ASP . 26515 1 122 122 GLY . 26515 1 123 123 SER . 26515 1 124 124 CYS . 26515 1 125 125 ASP . 26515 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 26515 1 . ARG 2 2 26515 1 . THR 3 3 26515 1 . GLN 4 4 26515 1 . GLN 5 5 26515 1 . LYS 6 6 26515 1 . ARG 7 7 26515 1 . ASP 8 8 26515 1 . THR 9 9 26515 1 . LYS 10 10 26515 1 . PHE 11 11 26515 1 . ARG 12 12 26515 1 . GLU 13 13 26515 1 . ASP 14 14 26515 1 . CYS 15 15 26515 1 . PRO 16 16 26515 1 . PRO 17 17 26515 1 . ASP 18 18 26515 1 . ARG 19 19 26515 1 . GLU 20 20 26515 1 . GLU 21 21 26515 1 . LEU 22 22 26515 1 . GLY 23 23 26515 1 . ARG 24 24 26515 1 . HIS 25 25 26515 1 . SER 26 26 26515 1 . TRP 27 27 26515 1 . ALA 28 28 26515 1 . VAL 29 29 26515 1 . LEU 30 30 26515 1 . HIS 31 31 26515 1 . THR 32 32 26515 1 . LEU 33 33 26515 1 . ALA 34 34 26515 1 . ALA 35 35 26515 1 . TYR 36 36 26515 1 . TYR 37 37 26515 1 . PRO 38 38 26515 1 . ASP 39 39 26515 1 . LEU 40 40 26515 1 . PRO 41 41 26515 1 . THR 42 42 26515 1 . PRO 43 43 26515 1 . GLU 44 44 26515 1 . GLN 45 45 26515 1 . GLN 46 46 26515 1 . GLN 47 47 26515 1 . ASP 48 48 26515 1 . MET 49 49 26515 1 . ALA 50 50 26515 1 . GLN 51 51 26515 1 . PHE 52 52 26515 1 . ILE 53 53 26515 1 . HIS 54 54 26515 1 . LEU 55 55 26515 1 . PHE 56 56 26515 1 . SER 57 57 26515 1 . LYS 58 58 26515 1 . PHE 59 59 26515 1 . TYR 60 60 26515 1 . PRO 61 61 26515 1 . CYS 62 62 26515 1 . GLU 63 63 26515 1 . GLU 64 64 26515 1 . CYS 65 65 26515 1 . ALA 66 66 26515 1 . GLU 67 67 26515 1 . ASP 68 68 26515 1 . LEU 69 69 26515 1 . ARG 70 70 26515 1 . LYS 71 71 26515 1 . ARG 72 72 26515 1 . LEU 73 73 26515 1 . ALA 74 74 26515 1 . ARG 75 75 26515 1 . ASN 76 76 26515 1 . HIS 77 77 26515 1 . PRO 78 78 26515 1 . ASP 79 79 26515 1 . THR 80 80 26515 1 . ARG 81 81 26515 1 . THR 82 82 26515 1 . ARG 83 83 26515 1 . ALA 84 84 26515 1 . ALA 85 85 26515 1 . PHE 86 86 26515 1 . THR 87 87 26515 1 . GLN 88 88 26515 1 . TRP 89 89 26515 1 . LEU 90 90 26515 1 . CYS 91 91 26515 1 . HIS 92 92 26515 1 . LEU 93 93 26515 1 . HIS 94 94 26515 1 . ASN 95 95 26515 1 . GLU 96 96 26515 1 . VAL 97 97 26515 1 . ASN 98 98 26515 1 . ARG 99 99 26515 1 . LYS 100 100 26515 1 . LEU 101 101 26515 1 . GLY 102 102 26515 1 . LYS 103 103 26515 1 . PRO 104 104 26515 1 . ASP 105 105 26515 1 . PHE 106 106 26515 1 . ASP 107 107 26515 1 . CYS 108 108 26515 1 . SER 109 109 26515 1 . LYS 110 110 26515 1 . VAL 111 111 26515 1 . ASP 112 112 26515 1 . GLU 113 113 26515 1 . ARG 114 114 26515 1 . TRP 115 115 26515 1 . ARG 116 116 26515 1 . ASP 117 117 26515 1 . GLY 118 118 26515 1 . TRP 119 119 26515 1 . LYS 120 120 26515 1 . ASP 121 121 26515 1 . GLY 122 122 26515 1 . SER 123 123 26515 1 . CYS 124 124 26515 1 . ASP 125 125 26515 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 26515 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $sf-ALR . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 26515 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 26515 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $sf-ALR . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pSP64 . . . . . . 26515 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26515 _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 'FAD-free sf-ALR' '[U-100% 15N]' . . 1 $sf-ALR . . 0.5 . . mM . . . . 26515 1 2 'phosphate buffer' 'natural abundance' . . . . . . 50 . . mM . . . . 26515 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 26515 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 26515 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 26515 _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 temperature 308 . K 26515 1 pH 7.0 . pH 26515 1 pressure 1 . atm 26515 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 26515 _Software.ID 1 _Software.Name TOPSPIN_1.3 _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 26515 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 26515 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 26515 _Software.ID 2 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 26515 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 26515 2 stop_ save_ save_CSI _Software.Sf_category software _Software.Sf_framecode CSI _Software.Entry_ID 26515 _Software.ID 3 _Software.Name CSI _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Wishart, D. S., and Sykes, B. D.' . . 26515 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift index analysis' 26515 3 stop_ save_ save_PECAN _Software.Sf_category software _Software.Sf_framecode PECAN _Software.Entry_ID 26515 _Software.ID 4 _Software.Name PECAN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Wishart, D. S., and Sykes, B. D.' . . 26515 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift index analysis' 26515 4 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 26515 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model NA _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 26515 _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 NA . 600 . . . 26515 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 26515 _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 '1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26515 1 2 '1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26515 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_list_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_1 _Heteronucl_NOE_list.Entry_ID 26515 _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 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 1 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details 'Fully reduced FAD-free ALR' _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 2 '1H-15N NOESY' . . . 26515 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 8 8 ASP N N 15 . 1 1 8 8 ASP H H 1 0.35 . . . . . . . . . . . 26515 1 2 . 1 1 9 9 THR N N 15 . 1 1 9 9 THR H H 1 -0.07 . . . . . . . . . . . 26515 1 3 . 1 1 10 10 LYS N N 15 . 1 1 10 10 LYS H H 1 -0.07 . . . . . . . . . . . 26515 1 4 . 1 1 11 11 PHE N N 15 . 1 1 11 11 PHE H H 1 0.23 . . . . . . . . . . . 26515 1 5 . 1 1 12 12 ARG N N 15 . 1 1 12 12 ARG H H 1 0.06 . . . . . . . . . . . 26515 1 6 . 1 1 13 13 GLU N N 15 . 1 1 13 13 GLU H H 1 0.29 . . . . . . . . . . . 26515 1 7 . 1 1 14 14 ASP N N 15 . 1 1 14 14 ASP H H 1 0.05 . . . . . . . . . . . 26515 1 8 . 1 1 15 15 CYS N N 15 . 1 1 15 15 CYS H H 1 0.35 . . . . . . . . . . . 26515 1 9 . 1 1 34 34 ALA N N 15 . 1 1 34 34 ALA H H 1 0.98 . . . . . . . . . . . 26515 1 10 . 1 1 35 35 ALA N N 15 . 1 1 35 35 ALA H H 1 0.61 . . . . . . . . . . . 26515 1 11 . 1 1 36 36 TYR N N 15 . 1 1 36 36 TYR H H 1 0.85 . . . . . . . . . . . 26515 1 12 . 1 1 37 37 TYR N N 15 . 1 1 37 37 TYR H H 1 0.86 . . . . . . . . . . . 26515 1 13 . 1 1 40 40 LEU N N 15 . 1 1 40 40 LEU H H 1 0.74 . . . . . . . . . . . 26515 1 14 . 1 1 42 42 THR N N 15 . 1 1 42 42 THR H H 1 0.71 . . . . . . . . . . . 26515 1 15 . 1 1 47 47 GLN N N 15 . 1 1 47 47 GLN H H 1 0.52 . . . . . . . . . . . 26515 1 16 . 1 1 48 48 ASP N N 15 . 1 1 48 48 ASP H H 1 0.92 . . . . . . . . . . . 26515 1 17 . 1 1 49 49 MET N N 15 . 1 1 49 49 MET H H 1 0.54 . . . . . . . . . . . 26515 1 18 . 1 1 50 50 ALA N N 15 . 1 1 50 50 ALA H H 1 0.5 . . . . . . . . . . . 26515 1 19 . 1 1 57 57 SER N N 15 . 1 1 57 57 SER H H 1 0.65 . . . . . . . . . . . 26515 1 20 . 1 1 58 58 LYS N N 15 . 1 1 58 58 LYS H H 1 0.6 . . . . . . . . . . . 26515 1 21 . 1 1 59 59 PHE N N 15 . 1 1 59 59 PHE H H 1 0.59 . . . . . . . . . . . 26515 1 22 . 1 1 80 80 THR N N 15 . 1 1 80 80 THR H H 1 0.77 . . . . . . . . . . . 26515 1 23 . 1 1 81 81 ARG N N 15 . 1 1 81 81 ARG H H 1 0.65 . . . . . . . . . . . 26515 1 24 . 1 1 82 82 THR N N 15 . 1 1 82 82 THR H H 1 0.63 . . . . . . . . . . . 26515 1 25 . 1 1 86 86 PHE N N 15 . 1 1 86 86 PHE H H 1 0.67 . . . . . . . . . . . 26515 1 26 . 1 1 87 87 THR N N 15 . 1 1 87 87 THR H H 1 0.47 . . . . . . . . . . . 26515 1 27 . 1 1 102 102 GLY N N 15 . 1 1 102 102 GLY H H 1 0.28 . . . . . . . . . . . 26515 1 28 . 1 1 110 110 LYS N N 15 . 1 1 110 110 LYS H H 1 0.46 . . . . . . . . . . . 26515 1 29 . 1 1 111 111 VAL N N 15 . 1 1 111 111 VAL H H 1 -0.06 . . . . . . . . . . . 26515 1 30 . 1 1 112 112 ASP N N 15 . 1 1 112 112 ASP H H 1 0.11 . . . . . . . . . . . 26515 1 31 . 1 1 113 113 GLU N N 15 . 1 1 113 113 GLU H H 1 -0.04 . . . . . . . . . . . 26515 1 32 . 1 1 114 114 ARG N N 15 . 1 1 114 114 ARG H H 1 0.23 . . . . . . . . . . . 26515 1 33 . 1 1 115 115 TRP N N 15 . 1 1 115 115 TRP H H 1 0.22 . . . . . . . . . . . 26515 1 34 . 1 1 116 116 ARG N N 15 . 1 1 116 116 ARG H H 1 0.19 . . . . . . . . . . . 26515 1 35 . 1 1 117 117 ASP N N 15 . 1 1 117 117 ASP H H 1 0.28 . . . . . . . . . . . 26515 1 36 . 1 1 118 118 GLY N N 15 . 1 1 118 118 GLY H H 1 0.03 . . . . . . . . . . . 26515 1 37 . 1 1 119 119 TRP N N 15 . 1 1 119 119 TRP H H 1 0.25 . . . . . . . . . . . 26515 1 38 . 1 1 120 120 LYS N N 15 . 1 1 120 120 LYS H H 1 -0.05 . . . . . . . . . . . 26515 1 39 . 1 1 121 121 ASP N N 15 . 1 1 121 121 ASP H H 1 0.02 . . . . . . . . . . . 26515 1 40 . 1 1 122 122 GLY N N 15 . 1 1 122 122 GLY H H 1 -0.48 . . . . . . . . . . . 26515 1 41 . 1 1 123 123 SER N N 15 . 1 1 123 123 SER H H 1 -0.7 . . . . . . . . . . . 26515 1 42 . 1 1 124 124 CYS N N 15 . 1 1 124 124 CYS H H 1 0.37 . . . . . . . . . . . 26515 1 43 . 1 1 125 125 ASP N N 15 . 1 1 125 125 ASP H H 1 -1.49 . . . . . . . . . . . 26515 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronuclear_T2_list_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_T2_list_1 _Heteronucl_T2_list.Entry_ID 26515 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method 'no calibration applied' _Heteronucl_T2_list.Temp_control_method 'no temperature control applied' _Heteronucl_T2_list.Spectrometer_frequency_1H 600 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 1 '1H-15N HSQC' . . . 26515 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 8 8 ASP N N 15 7.65 . . . . . . . . 26515 1 2 . 1 1 9 9 THR N N 15 7.5 . . . . . . . . 26515 1 3 . 1 1 10 10 LYS N N 15 9.63 . . . . . . . . 26515 1 4 . 1 1 11 11 PHE N N 15 8.28 . . . . . . . . 26515 1 5 . 1 1 12 12 ARG N N 15 9.19 . . . . . . . . 26515 1 6 . 1 1 13 13 GLU N N 15 11.14 . . . . . . . . 26515 1 7 . 1 1 14 14 ASP N N 15 9.33 . . . . . . . . 26515 1 8 . 1 1 15 15 CYS N N 15 17.56 . . . . . . . . 26515 1 9 . 1 1 34 34 ALA N N 15 23.89 . . . . . . . . 26515 1 10 . 1 1 35 35 ALA N N 15 18.08 . . . . . . . . 26515 1 11 . 1 1 36 36 TYR N N 15 23.46 . . . . . . . . 26515 1 12 . 1 1 37 37 TYR N N 15 24.69 . . . . . . . . 26515 1 13 . 1 1 40 40 LEU N N 15 23.03 . . . . . . . . 26515 1 14 . 1 1 42 42 THR N N 15 22.65 . . . . . . . . 26515 1 15 . 1 1 47 47 GLN N N 15 27.6 . . . . . . . . 26515 1 16 . 1 1 48 48 ASP N N 15 24.35 . . . . . . . . 26515 1 17 . 1 1 49 49 MET N N 15 17.44 . . . . . . . . 26515 1 18 . 1 1 50 50 ALA N N 15 15.13 . . . . . . . . 26515 1 19 . 1 1 57 57 SER N N 15 31.19 . . . . . . . . 26515 1 20 . 1 1 58 58 LYS N N 15 21.86 . . . . . . . . 26515 1 21 . 1 1 59 59 PHE N N 15 20.91 . . . . . . . . 26515 1 22 . 1 1 80 80 THR N N 15 29.37 . . . . . . . . 26515 1 23 . 1 1 81 81 ARG N N 15 22.96 . . . . . . . . 26515 1 24 . 1 1 82 82 THR N N 15 34.02 . . . . . . . . 26515 1 25 . 1 1 86 86 PHE N N 15 25.29 . . . . . . . . 26515 1 26 . 1 1 87 87 THR N N 15 23 . . . . . . . . 26515 1 27 . 1 1 102 102 GLY N N 15 12.78 . . . . . . . . 26515 1 28 . 1 1 110 110 LYS N N 15 13.89 . . . . . . . . 26515 1 29 . 1 1 111 111 VAL N N 15 9.86 . . . . . . . . 26515 1 30 . 1 1 112 112 ASP N N 15 9.38 . . . . . . . . 26515 1 31 . 1 1 113 113 GLU N N 15 10.87 . . . . . . . . 26515 1 32 . 1 1 114 114 ARG N N 15 12.69 . . . . . . . . 26515 1 33 . 1 1 115 115 TRP N N 15 11.9 . . . . . . . . 26515 1 34 . 1 1 116 116 ARG N N 15 9.41 . . . . . . . . 26515 1 35 . 1 1 117 117 ASP N N 15 8.67 . . . . . . . . 26515 1 36 . 1 1 118 118 GLY N N 15 8.24 . . . . . . . . 26515 1 37 . 1 1 120 120 LYS N N 15 8.12 . . . . . . . . 26515 1 38 . 1 1 122 122 GLY N N 15 5.51 . . . . . . . . 26515 1 39 . 1 1 123 123 SER N N 15 5.55 . . . . . . . . 26515 1 40 . 1 1 124 124 CYS N N 15 3.9 . . . . . . . . 26515 1 41 . 1 1 125 125 ASP N N 15 2.38 . . . . . . . . 26515 1 stop_ save_