data_16234 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16234 _Entry.Title ; Relaxation data of the N-terminal domain of capsid protein from the Mason-Pfizer monkey virus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-03-31 _Entry.Accession_date 2009-03-31 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _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.Entry_ID 1 Pavel Macek . . . 16234 2 Pavel Kaderavek . . . 16234 3 Lukas Zidek . . . 16234 4 Vladimir Sklenar . . . 16234 5 Pavel Macek . . . 16234 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID heteronucl_NOEs 1 16234 heteronucl_T1_relaxation 1 16234 heteronucl_T2_relaxation 1 16234 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID 'heteronuclear NOE values' 111 16234 'T1 relaxation values' 111 16234 'T2 relaxation values' 111 16234 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 . . 2011-08-16 2009-03-31 update BMRB 'T1 and T2 units changed from s to s-1' 16234 2 . . 2009-09-09 2009-03-31 update BMRB 'complete entry citation' 16234 1 . . 2009-06-17 2009-03-31 original author 'original release' 16234 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16234 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19527730 _Citation.Full_citation . _Citation.Title 'NMR structure of the N-terminal domain of capsid protein from the Mason-Pfizer monkey virus' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 392 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 100 _Citation.Page_last 114 _Citation.Year 2009 _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 Pavel Macek . . . 16234 1 2 Josef Chmelik . . . 16234 1 3 Ivana Krizova . . . 16234 1 4 Pavel Kaderavek . . . 16234 1 5 Petr Padrta . . . 16234 1 6 Lukas Zidek . . . 16234 1 7 Marcela Wildova . . . 16234 1 8 Romana Hadravova . . . 16234 1 9 Radka Chaloupkova . . . 16234 1 10 Iva Pichova . . . 16234 1 11 Tomas Ruml . . . 16234 1 12 Michaela Rumlova . . . 16234 1 13 Vladimir Sklenar . . . 16234 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID betaretroviruses 16234 1 'capsid protein' 16234 1 M-PMV 16234 1 'N-terminal domain' 16234 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16234 _Assembly.ID 1 _Assembly.Name 'MPMV NTD CA' _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 'MPMV NTD CA' 1 $MPMV_NTD_CA A . yes native no no . . . 16234 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MPMV_NTD_CA _Entity.Sf_category entity _Entity.Sf_framecode MPMV_NTD_CA _Entity.Entry_ID 16234 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name MPMV_NTD_CA _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 ; PVTETVDGQGQAWRHHNGFD FAVIKELKTAASQYGATAPY TLAIVESVADNWLTPTDWNT LVRAVLSGGDHLLWKSEFFE NCRDTAKRNQQAGNGWDFDM LTGSGNYSSTDAQMQYDPGL FAQIQAAATKAWRKLPVKGD ; _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 140 _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 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 15581 . MPMV_NTD_CA . . . . . 100.00 140 100.00 100.00 2.17e-98 . . . . 16234 1 2 no PDB 2KGF . "N-Terminal Domain Of Capsid Protein From The Mason-Pfizer Monkey Virus" . . . . . 100.00 140 100.00 100.00 2.17e-98 . . . . 16234 1 3 no PDB 4ARD . "Structure Of The Immature Retroviral Capsid At 8a Resolution By Cryo-Electron Microscopy" . . . . . 82.86 116 100.00 100.00 1.43e-78 . . . . 16234 1 4 no DBJ BAD89356 . "gag [Simian type D retrovirus -Tsukuba]" . . . . . 100.00 659 97.14 98.57 4.96e-91 . . . . 16234 1 5 no DBJ BAQ21760 . "gag protein [Simian retrovirus 4]" . . . . . 100.00 659 97.14 98.57 5.01e-91 . . . . 16234 1 6 no DBJ BAQ21764 . "gag protein [Simian retrovirus 4]" . . . . . 100.00 659 97.14 98.57 5.01e-91 . . . . 16234 1 7 no GB AAA47710 . "gag polyprotein [Mason-Pfizer monkey virus]" . . . . . 100.00 657 100.00 100.00 2.10e-93 . . . . 16234 1 8 no GB AAA47730 . "gag polyprotein [Simian retrovirus 1]" . . . . . 100.00 658 98.57 99.29 1.99e-92 . . . . 16234 1 9 no GB AAC82573 . "Pr78 [Mason-Pfizer monkey virus]" . . . . . 100.00 657 100.00 100.00 2.10e-93 . . . . 16234 1 10 no GB AAC82574 . "Pr95 [Mason-Pfizer monkey virus]" . . . . . 100.00 911 100.00 100.00 1.78e-91 . . . . 16234 1 11 no GB AAC82576 . "RT-IN [Mason-Pfizer monkey virus]" . . . . . 100.00 1771 100.00 100.00 2.37e-89 . . . . 16234 1 12 no PIR FOLJSA . "gag polyprotein - simian AIDS retrovirus SRV-1" . . . . . 100.00 658 98.57 99.29 1.99e-92 . . . . 16234 1 13 no REF NP_056891 . "RT-IN [Mason-Pfizer monkey virus]" . . . . . 100.00 1771 100.00 100.00 2.37e-89 . . . . 16234 1 14 no REF NP_056892 . "Pr95 [Mason-Pfizer monkey virus]" . . . . . 100.00 911 100.00 100.00 1.78e-91 . . . . 16234 1 15 no REF NP_056893 . "Pr78 [Mason-Pfizer monkey virus]" . . . . . 100.00 657 100.00 100.00 2.10e-93 . . . . 16234 1 16 no REF NP_954560 . "p27 [Mason-Pfizer monkey virus]" . . . . . 100.00 228 100.00 100.00 5.72e-98 . . . . 16234 1 17 no REF NP_954565 . "RT-IN [Mason-Pfizer monkey virus]" . . . . . 100.00 1771 100.00 100.00 2.37e-89 . . . . 16234 1 18 no SP P04022 . "RecName: Full=Gag polyprotein; AltName: Full=Core polyprotein; Contains: RecName: Full=Matrix protein p10; Contains: RecName: F" . . . . . 100.00 658 98.57 99.29 1.99e-92 . . . . 16234 1 19 no SP P07567 . "RecName: Full=Gag polyprotein; AltName: Full=Core polyprotein; Contains: RecName: Full=Matrix protein p10; Contains: RecName: F" . . . . . 100.00 657 100.00 100.00 2.10e-93 . . . . 16234 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 . PRO . 16234 1 2 . VAL . 16234 1 3 . THR . 16234 1 4 . GLU . 16234 1 5 . THR . 16234 1 6 . VAL . 16234 1 7 . ASP . 16234 1 8 . GLY . 16234 1 9 . GLN . 16234 1 10 . GLY . 16234 1 11 . GLN . 16234 1 12 . ALA . 16234 1 13 . TRP . 16234 1 14 . ARG . 16234 1 15 . HIS . 16234 1 16 . HIS . 16234 1 17 . ASN . 16234 1 18 . GLY . 16234 1 19 . PHE . 16234 1 20 . ASP . 16234 1 21 . PHE . 16234 1 22 . ALA . 16234 1 23 . VAL . 16234 1 24 . ILE . 16234 1 25 . LYS . 16234 1 26 . GLU . 16234 1 27 . LEU . 16234 1 28 . LYS . 16234 1 29 . THR . 16234 1 30 . ALA . 16234 1 31 . ALA . 16234 1 32 . SER . 16234 1 33 . GLN . 16234 1 34 . TYR . 16234 1 35 . GLY . 16234 1 36 . ALA . 16234 1 37 . THR . 16234 1 38 . ALA . 16234 1 39 . PRO . 16234 1 40 . TYR . 16234 1 41 . THR . 16234 1 42 . LEU . 16234 1 43 . ALA . 16234 1 44 . ILE . 16234 1 45 . VAL . 16234 1 46 . GLU . 16234 1 47 . SER . 16234 1 48 . VAL . 16234 1 49 . ALA . 16234 1 50 . ASP . 16234 1 51 . ASN . 16234 1 52 . TRP . 16234 1 53 . LEU . 16234 1 54 . THR . 16234 1 55 . PRO . 16234 1 56 . THR . 16234 1 57 . ASP . 16234 1 58 . TRP . 16234 1 59 . ASN . 16234 1 60 . THR . 16234 1 61 . LEU . 16234 1 62 . VAL . 16234 1 63 . ARG . 16234 1 64 . ALA . 16234 1 65 . VAL . 16234 1 66 . LEU . 16234 1 67 . SER . 16234 1 68 . GLY . 16234 1 69 . GLY . 16234 1 70 . ASP . 16234 1 71 . HIS . 16234 1 72 . LEU . 16234 1 73 . LEU . 16234 1 74 . TRP . 16234 1 75 . LYS . 16234 1 76 . SER . 16234 1 77 . GLU . 16234 1 78 . PHE . 16234 1 79 . PHE . 16234 1 80 . GLU . 16234 1 81 . ASN . 16234 1 82 . CYS . 16234 1 83 . ARG . 16234 1 84 . ASP . 16234 1 85 . THR . 16234 1 86 . ALA . 16234 1 87 . LYS . 16234 1 88 . ARG . 16234 1 89 . ASN . 16234 1 90 . GLN . 16234 1 91 . GLN . 16234 1 92 . ALA . 16234 1 93 . GLY . 16234 1 94 . ASN . 16234 1 95 . GLY . 16234 1 96 . TRP . 16234 1 97 . ASP . 16234 1 98 . PHE . 16234 1 99 . ASP . 16234 1 100 . MET . 16234 1 101 . LEU . 16234 1 102 . THR . 16234 1 103 . GLY . 16234 1 104 . SER . 16234 1 105 . GLY . 16234 1 106 . ASN . 16234 1 107 . TYR . 16234 1 108 . SER . 16234 1 109 . SER . 16234 1 110 . THR . 16234 1 111 . ASP . 16234 1 112 . ALA . 16234 1 113 . GLN . 16234 1 114 . MET . 16234 1 115 . GLN . 16234 1 116 . TYR . 16234 1 117 . ASP . 16234 1 118 . PRO . 16234 1 119 . GLY . 16234 1 120 . LEU . 16234 1 121 . PHE . 16234 1 122 . ALA . 16234 1 123 . GLN . 16234 1 124 . ILE . 16234 1 125 . GLN . 16234 1 126 . ALA . 16234 1 127 . ALA . 16234 1 128 . ALA . 16234 1 129 . THR . 16234 1 130 . LYS . 16234 1 131 . ALA . 16234 1 132 . TRP . 16234 1 133 . ARG . 16234 1 134 . LYS . 16234 1 135 . LEU . 16234 1 136 . PRO . 16234 1 137 . VAL . 16234 1 138 . LYS . 16234 1 139 . GLY . 16234 1 140 . ASP . 16234 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 . PRO 1 1 16234 1 . VAL 2 2 16234 1 . THR 3 3 16234 1 . GLU 4 4 16234 1 . THR 5 5 16234 1 . VAL 6 6 16234 1 . ASP 7 7 16234 1 . GLY 8 8 16234 1 . GLN 9 9 16234 1 . GLY 10 10 16234 1 . GLN 11 11 16234 1 . ALA 12 12 16234 1 . TRP 13 13 16234 1 . ARG 14 14 16234 1 . HIS 15 15 16234 1 . HIS 16 16 16234 1 . ASN 17 17 16234 1 . GLY 18 18 16234 1 . PHE 19 19 16234 1 . ASP 20 20 16234 1 . PHE 21 21 16234 1 . ALA 22 22 16234 1 . VAL 23 23 16234 1 . ILE 24 24 16234 1 . LYS 25 25 16234 1 . GLU 26 26 16234 1 . LEU 27 27 16234 1 . LYS 28 28 16234 1 . THR 29 29 16234 1 . ALA 30 30 16234 1 . ALA 31 31 16234 1 . SER 32 32 16234 1 . GLN 33 33 16234 1 . TYR 34 34 16234 1 . GLY 35 35 16234 1 . ALA 36 36 16234 1 . THR 37 37 16234 1 . ALA 38 38 16234 1 . PRO 39 39 16234 1 . TYR 40 40 16234 1 . THR 41 41 16234 1 . LEU 42 42 16234 1 . ALA 43 43 16234 1 . ILE 44 44 16234 1 . VAL 45 45 16234 1 . GLU 46 46 16234 1 . SER 47 47 16234 1 . VAL 48 48 16234 1 . ALA 49 49 16234 1 . ASP 50 50 16234 1 . ASN 51 51 16234 1 . TRP 52 52 16234 1 . LEU 53 53 16234 1 . THR 54 54 16234 1 . PRO 55 55 16234 1 . THR 56 56 16234 1 . ASP 57 57 16234 1 . TRP 58 58 16234 1 . ASN 59 59 16234 1 . THR 60 60 16234 1 . LEU 61 61 16234 1 . VAL 62 62 16234 1 . ARG 63 63 16234 1 . ALA 64 64 16234 1 . VAL 65 65 16234 1 . LEU 66 66 16234 1 . SER 67 67 16234 1 . GLY 68 68 16234 1 . GLY 69 69 16234 1 . ASP 70 70 16234 1 . HIS 71 71 16234 1 . LEU 72 72 16234 1 . LEU 73 73 16234 1 . TRP 74 74 16234 1 . LYS 75 75 16234 1 . SER 76 76 16234 1 . GLU 77 77 16234 1 . PHE 78 78 16234 1 . PHE 79 79 16234 1 . GLU 80 80 16234 1 . ASN 81 81 16234 1 . CYS 82 82 16234 1 . ARG 83 83 16234 1 . ASP 84 84 16234 1 . THR 85 85 16234 1 . ALA 86 86 16234 1 . LYS 87 87 16234 1 . ARG 88 88 16234 1 . ASN 89 89 16234 1 . GLN 90 90 16234 1 . GLN 91 91 16234 1 . ALA 92 92 16234 1 . GLY 93 93 16234 1 . ASN 94 94 16234 1 . GLY 95 95 16234 1 . TRP 96 96 16234 1 . ASP 97 97 16234 1 . PHE 98 98 16234 1 . ASP 99 99 16234 1 . MET 100 100 16234 1 . LEU 101 101 16234 1 . THR 102 102 16234 1 . GLY 103 103 16234 1 . SER 104 104 16234 1 . GLY 105 105 16234 1 . ASN 106 106 16234 1 . TYR 107 107 16234 1 . SER 108 108 16234 1 . SER 109 109 16234 1 . THR 110 110 16234 1 . ASP 111 111 16234 1 . ALA 112 112 16234 1 . GLN 113 113 16234 1 . MET 114 114 16234 1 . GLN 115 115 16234 1 . TYR 116 116 16234 1 . ASP 117 117 16234 1 . PRO 118 118 16234 1 . GLY 119 119 16234 1 . LEU 120 120 16234 1 . PHE 121 121 16234 1 . ALA 122 122 16234 1 . GLN 123 123 16234 1 . ILE 124 124 16234 1 . GLN 125 125 16234 1 . ALA 126 126 16234 1 . ALA 127 127 16234 1 . ALA 128 128 16234 1 . THR 129 129 16234 1 . LYS 130 130 16234 1 . ALA 131 131 16234 1 . TRP 132 132 16234 1 . ARG 133 133 16234 1 . LYS 134 134 16234 1 . LEU 135 135 16234 1 . PRO 136 136 16234 1 . VAL 137 137 16234 1 . LYS 138 138 16234 1 . GLY 139 139 16234 1 . ASP 140 140 16234 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 16234 _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 $MPMV_NTD_CA . 11855 virus . 'Mason-Pfizer Monkey Virus' 'Mason-Pfizer Monkey Virus' . . Viruses . Betaretrovirus 'Mason-Pfizer monkey virus' . . . . . . . . . . . . . . . . . . . . . 16234 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 16234 _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 $MPMV_NTD_CA . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET22b . . . . . . 16234 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16234 _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 'MPMV NTD CA' '[U-100% 15N]' . . 1 $MPMV_NTD_CA . . . 0.7 1.0 mM . . . . 16234 1 2 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 16234 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 16234 _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' 0.15 . M 16234 1 pH 8.0 . pH 16234 1 pressure 1 . atm 16234 1 temperature 298 . K 16234 1 stop_ save_ ############################ # Computer software used # ############################ save_relax _Software.Sf_category software _Software.Sf_framecode relax _Software.Entry_ID 16234 _Software.ID 1 _Software.Name Relax _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'd'Auvergne, Gooley' . . 16234 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'relaxation analysis' 16234 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 16234 _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 16234 _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 . . . 16234 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 16234 _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 . . . . . . . . . . . . . . . . 16234 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 16234 _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 0.2 _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 1 '2D 1H-15N HSQC' . . . 16234 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 2 2 VAL N N 15 . 1 1 2 2 VAL H H 1 0.83661 0.06493 . . . . . . . . . . 16234 1 2 . 1 1 3 3 THR N N 15 . 1 1 3 3 THR H H 1 0.75819 0.04351 . . . . . . . . . . 16234 1 3 . 1 1 4 4 GLU N N 15 . 1 1 4 4 GLU H H 1 0.76230 0.02564 . . . . . . . . . . 16234 1 4 . 1 1 5 5 THR N N 15 . 1 1 5 5 THR H H 1 0.72596 0.04100 . . . . . . . . . . 16234 1 5 . 1 1 6 6 VAL N N 15 . 1 1 6 6 VAL H H 1 0.70598 0.02925 . . . . . . . . . . 16234 1 6 . 1 1 7 7 ASP N N 15 . 1 1 7 7 ASP H H 1 0.65279 0.02080 . . . . . . . . . . 16234 1 7 . 1 1 9 9 GLN N N 15 . 1 1 9 9 GLN H H 1 0.60501 0.02648 . . . . . . . . . . 16234 1 8 . 1 1 10 10 GLY N N 15 . 1 1 10 10 GLY H H 1 0.61043 0.02783 . . . . . . . . . . 16234 1 9 . 1 1 11 11 GLN N N 15 . 1 1 11 11 GLN H H 1 0.66678 0.01617 . . . . . . . . . . 16234 1 10 . 1 1 12 12 ALA N N 15 . 1 1 12 12 ALA H H 1 0.57187 0.02606 . . . . . . . . . . 16234 1 11 . 1 1 13 13 TRP N N 15 . 1 1 13 13 TRP H H 1 0.67754 0.03834 . . . . . . . . . . 16234 1 12 . 1 1 14 14 ARG N N 15 . 1 1 14 14 ARG H H 1 0.72192 0.03677 . . . . . . . . . . 16234 1 13 . 1 1 15 15 HIS N N 15 . 1 1 15 15 HIS H H 1 0.81619 0.04101 . . . . . . . . . . 16234 1 14 . 1 1 16 16 HIS N N 15 . 1 1 16 16 HIS H H 1 0.80131 0.04983 . . . . . . . . . . 16234 1 15 . 1 1 17 17 ASN N N 15 . 1 1 17 17 ASN H H 1 0.80820 0.04265 . . . . . . . . . . 16234 1 16 . 1 1 18 18 GLY N N 15 . 1 1 18 18 GLY H H 1 0.81366 0.09561 . . . . . . . . . . 16234 1 17 . 1 1 19 19 PHE N N 15 . 1 1 19 19 PHE H H 1 0.78141 0.02819 . . . . . . . . . . 16234 1 18 . 1 1 20 20 ASP N N 15 . 1 1 20 20 ASP H H 1 0.75273 0.03583 . . . . . . . . . . 16234 1 19 . 1 1 23 23 VAL N N 15 . 1 1 23 23 VAL H H 1 0.67356 0.02892 . . . . . . . . . . 16234 1 20 . 1 1 24 24 ILE N N 15 . 1 1 24 24 ILE H H 1 0.82068 0.04178 . . . . . . . . . . 16234 1 21 . 1 1 25 25 LYS N N 15 . 1 1 25 25 LYS H H 1 0.78177 0.03376 . . . . . . . . . . 16234 1 22 . 1 1 26 26 GLU N N 15 . 1 1 26 26 GLU H H 1 0.82879 0.03192 . . . . . . . . . . 16234 1 23 . 1 1 27 27 LEU N N 15 . 1 1 27 27 LEU H H 1 0.76070 0.03154 . . . . . . . . . . 16234 1 24 . 1 1 28 28 LYS N N 15 . 1 1 28 28 LYS H H 1 0.79660 0.04204 . . . . . . . . . . 16234 1 25 . 1 1 29 29 THR N N 15 . 1 1 29 29 THR H H 1 0.77299 0.03329 . . . . . . . . . . 16234 1 26 . 1 1 30 30 ALA N N 15 . 1 1 30 30 ALA H H 1 0.76729 0.03175 . . . . . . . . . . 16234 1 27 . 1 1 31 31 ALA N N 15 . 1 1 31 31 ALA H H 1 0.79791 0.03374 . . . . . . . . . . 16234 1 28 . 1 1 32 32 SER N N 15 . 1 1 32 32 SER H H 1 0.78244 0.02772 . . . . . . . . . . 16234 1 29 . 1 1 33 33 GLN N N 15 . 1 1 33 33 GLN H H 1 0.74926 0.02834 . . . . . . . . . . 16234 1 30 . 1 1 34 34 TYR N N 15 . 1 1 34 34 TYR H H 1 0.80241 0.03447 . . . . . . . . . . 16234 1 31 . 1 1 35 35 GLY N N 15 . 1 1 35 35 GLY H H 1 0.74779 0.03225 . . . . . . . . . . 16234 1 32 . 1 1 36 36 ALA N N 15 . 1 1 36 36 ALA H H 1 0.77360 0.04564 . . . . . . . . . . 16234 1 33 . 1 1 37 37 THR N N 15 . 1 1 37 37 THR H H 1 0.75811 0.03192 . . . . . . . . . . 16234 1 34 . 1 1 38 38 ALA N N 15 . 1 1 38 38 ALA H H 1 0.81096 0.02569 . . . . . . . . . . 16234 1 35 . 1 1 41 41 THR N N 15 . 1 1 41 41 THR H H 1 0.75557 0.03067 . . . . . . . . . . 16234 1 36 . 1 1 43 43 ALA N N 15 . 1 1 43 43 ALA H H 1 0.80948 0.02508 . . . . . . . . . . 16234 1 37 . 1 1 44 44 ILE N N 15 . 1 1 44 44 ILE H H 1 0.80997 0.03808 . . . . . . . . . . 16234 1 38 . 1 1 45 45 VAL N N 15 . 1 1 45 45 VAL H H 1 0.78936 0.03745 . . . . . . . . . . 16234 1 39 . 1 1 46 46 GLU N N 15 . 1 1 46 46 GLU H H 1 0.80134 0.03349 . . . . . . . . . . 16234 1 40 . 1 1 47 47 SER N N 15 . 1 1 47 47 SER H H 1 0.76620 0.02742 . . . . . . . . . . 16234 1 41 . 1 1 48 48 VAL N N 15 . 1 1 48 48 VAL H H 1 0.56007 0.01741 . . . . . . . . . . 16234 1 42 . 1 1 49 49 ALA N N 15 . 1 1 49 49 ALA H H 1 0.76715 0.02915 . . . . . . . . . . 16234 1 43 . 1 1 50 50 ASP N N 15 . 1 1 50 50 ASP H H 1 0.76810 0.02508 . . . . . . . . . . 16234 1 44 . 1 1 51 51 ASN N N 15 . 1 1 51 51 ASN H H 1 0.25534 0.01747 . . . . . . . . . . 16234 1 45 . 1 1 53 53 LEU N N 15 . 1 1 53 53 LEU H H 1 0.78259 0.05178 . . . . . . . . . . 16234 1 46 . 1 1 54 54 THR N N 15 . 1 1 54 54 THR H H 1 0.75297 0.03531 . . . . . . . . . . 16234 1 47 . 1 1 57 57 ASP N N 15 . 1 1 57 57 ASP H H 1 0.80576 0.04040 . . . . . . . . . . 16234 1 48 . 1 1 60 60 THR N N 15 . 1 1 60 60 THR H H 1 0.79410 0.03803 . . . . . . . . . . 16234 1 49 . 1 1 61 61 LEU N N 15 . 1 1 61 61 LEU H H 1 0.79192 0.03349 . . . . . . . . . . 16234 1 50 . 1 1 63 63 ARG N N 15 . 1 1 63 63 ARG H H 1 0.82678 0.03898 . . . . . . . . . . 16234 1 51 . 1 1 64 64 ALA N N 15 . 1 1 64 64 ALA H H 1 0.78492 0.01727 . . . . . . . . . . 16234 1 52 . 1 1 65 65 VAL N N 15 . 1 1 65 65 VAL H H 1 0.72677 0.03664 . . . . . . . . . . 16234 1 53 . 1 1 66 66 LEU N N 15 . 1 1 66 66 LEU H H 1 0.79402 0.04000 . . . . . . . . . . 16234 1 54 . 1 1 67 67 SER N N 15 . 1 1 67 67 SER H H 1 0.72868 0.04959 . . . . . . . . . . 16234 1 55 . 1 1 70 70 ASP N N 15 . 1 1 70 70 ASP H H 1 0.85370 0.03161 . . . . . . . . . . 16234 1 56 . 1 1 71 71 HIS N N 15 . 1 1 71 71 HIS H H 1 0.78269 0.02746 . . . . . . . . . . 16234 1 57 . 1 1 72 72 LEU N N 15 . 1 1 72 72 LEU H H 1 0.77647 0.03513 . . . . . . . . . . 16234 1 58 . 1 1 73 73 LEU N N 15 . 1 1 73 73 LEU H H 1 0.81774 0.02755 . . . . . . . . . . 16234 1 59 . 1 1 74 74 TRP N N 15 . 1 1 74 74 TRP H H 1 0.81124 0.03238 . . . . . . . . . . 16234 1 60 . 1 1 76 76 SER N N 15 . 1 1 76 76 SER H H 1 0.79520 0.03084 . . . . . . . . . . 16234 1 61 . 1 1 77 77 GLU N N 15 . 1 1 77 77 GLU H H 1 0.79876 0.03598 . . . . . . . . . . 16234 1 62 . 1 1 78 78 PHE N N 15 . 1 1 78 78 PHE H H 1 0.80998 0.04284 . . . . . . . . . . 16234 1 63 . 1 1 79 79 PHE N N 15 . 1 1 79 79 PHE H H 1 0.81871 0.04291 . . . . . . . . . . 16234 1 64 . 1 1 80 80 GLU N N 15 . 1 1 80 80 GLU H H 1 0.81054 0.01695 . . . . . . . . . . 16234 1 65 . 1 1 81 81 ASN N N 15 . 1 1 81 81 ASN H H 1 0.81833 0.03009 . . . . . . . . . . 16234 1 66 . 1 1 85 85 THR N N 15 . 1 1 85 85 THR H H 1 0.80644 0.03116 . . . . . . . . . . 16234 1 67 . 1 1 86 86 ALA N N 15 . 1 1 86 86 ALA H H 1 0.83877 0.03268 . . . . . . . . . . 16234 1 68 . 1 1 88 88 ARG N N 15 . 1 1 88 88 ARG H H 1 0.83022 0.03492 . . . . . . . . . . 16234 1 69 . 1 1 89 89 ASN N N 15 . 1 1 89 89 ASN H H 1 0.75290 0.03500 . . . . . . . . . . 16234 1 70 . 1 1 90 90 GLN N N 15 . 1 1 90 90 GLN H H 1 0.56029 0.02177 . . . . . . . . . . 16234 1 71 . 1 1 91 91 GLN N N 15 . 1 1 91 91 GLN H H 1 0.79432 0.03000 . . . . . . . . . . 16234 1 72 . 1 1 93 93 GLY N N 15 . 1 1 93 93 GLY H H 1 0.76946 0.04164 . . . . . . . . . . 16234 1 73 . 1 1 94 94 ASN N N 15 . 1 1 94 94 ASN H H 1 0.79731 0.04397 . . . . . . . . . . 16234 1 74 . 1 1 96 96 TRP N N 15 . 1 1 96 96 TRP H H 1 0.72764 0.02693 . . . . . . . . . . 16234 1 75 . 1 1 97 97 ASP N N 15 . 1 1 97 97 ASP H H 1 0.75097 0.03503 . . . . . . . . . . 16234 1 76 . 1 1 98 98 PHE N N 15 . 1 1 98 98 PHE H H 1 0.83195 0.04909 . . . . . . . . . . 16234 1 77 . 1 1 99 99 ASP N N 15 . 1 1 99 99 ASP H H 1 0.79513 0.02691 . . . . . . . . . . 16234 1 78 . 1 1 100 100 MET N N 15 . 1 1 100 100 MET H H 1 0.77924 0.03218 . . . . . . . . . . 16234 1 79 . 1 1 101 101 LEU N N 15 . 1 1 101 101 LEU H H 1 0.84482 0.03858 . . . . . . . . . . 16234 1 80 . 1 1 102 102 THR N N 15 . 1 1 102 102 THR H H 1 0.80723 0.04162 . . . . . . . . . . 16234 1 81 . 1 1 103 103 GLY N N 15 . 1 1 103 103 GLY H H 1 0.77976 0.03460 . . . . . . . . . . 16234 1 82 . 1 1 104 104 SER N N 15 . 1 1 104 104 SER H H 1 0.77245 0.03354 . . . . . . . . . . 16234 1 83 . 1 1 105 105 GLY N N 15 . 1 1 105 105 GLY H H 1 0.81489 0.04904 . . . . . . . . . . 16234 1 84 . 1 1 107 107 TYR N N 15 . 1 1 107 107 TYR H H 1 0.79407 0.03199 . . . . . . . . . . 16234 1 85 . 1 1 108 108 SER N N 15 . 1 1 108 108 SER H H 1 0.79467 0.02288 . . . . . . . . . . 16234 1 86 . 1 1 109 109 SER N N 15 . 1 1 109 109 SER H H 1 0.76266 0.02323 . . . . . . . . . . 16234 1 87 . 1 1 111 111 ASP N N 15 . 1 1 111 111 ASP H H 1 0.73727 0.02176 . . . . . . . . . . 16234 1 88 . 1 1 112 112 ALA N N 15 . 1 1 112 112 ALA H H 1 0.77261 0.02464 . . . . . . . . . . 16234 1 89 . 1 1 114 114 MET N N 15 . 1 1 114 114 MET H H 1 0.81490 0.03108 . . . . . . . . . . 16234 1 90 . 1 1 115 115 GLN N N 15 . 1 1 115 115 GLN H H 1 0.79803 0.03342 . . . . . . . . . . 16234 1 91 . 1 1 116 116 TYR N N 15 . 1 1 116 116 TYR H H 1 0.80438 0.03104 . . . . . . . . . . 16234 1 92 . 1 1 117 117 ASP N N 15 . 1 1 117 117 ASP H H 1 0.78040 0.03302 . . . . . . . . . . 16234 1 93 . 1 1 119 119 GLY N N 15 . 1 1 119 119 GLY H H 1 0.77502 0.05860 . . . . . . . . . . 16234 1 94 . 1 1 120 120 LEU N N 15 . 1 1 120 120 LEU H H 1 0.86784 0.05262 . . . . . . . . . . 16234 1 95 . 1 1 121 121 PHE N N 15 . 1 1 121 121 PHE H H 1 0.84537 0.03529 . . . . . . . . . . 16234 1 96 . 1 1 122 122 ALA N N 15 . 1 1 122 122 ALA H H 1 0.97547 0.03912 . . . . . . . . . . 16234 1 97 . 1 1 123 123 GLN N N 15 . 1 1 123 123 GLN H H 1 0.84169 0.03293 . . . . . . . . . . 16234 1 98 . 1 1 124 124 ILE N N 15 . 1 1 124 124 ILE H H 1 0.79041 0.04047 . . . . . . . . . . 16234 1 99 . 1 1 125 125 GLN N N 15 . 1 1 125 125 GLN H H 1 0.85837 0.03900 . . . . . . . . . . 16234 1 100 . 1 1 126 126 ALA N N 15 . 1 1 126 126 ALA H H 1 0.80183 0.03445 . . . . . . . . . . 16234 1 101 . 1 1 127 127 ALA N N 15 . 1 1 127 127 ALA H H 1 0.80274 0.03183 . . . . . . . . . . 16234 1 102 . 1 1 128 128 ALA N N 15 . 1 1 128 128 ALA H H 1 0.78987 0.03208 . . . . . . . . . . 16234 1 103 . 1 1 130 130 LYS N N 15 . 1 1 130 130 LYS H H 1 0.74397 0.02972 . . . . . . . . . . 16234 1 104 . 1 1 131 131 ALA N N 15 . 1 1 131 131 ALA H H 1 0.83636 0.03330 . . . . . . . . . . 16234 1 105 . 1 1 132 132 TRP N N 15 . 1 1 132 132 TRP H H 1 0.80930 0.03629 . . . . . . . . . . 16234 1 106 . 1 1 133 133 ARG N N 15 . 1 1 133 133 ARG H H 1 0.82248 0.04678 . . . . . . . . . . 16234 1 107 . 1 1 134 134 LYS N N 15 . 1 1 134 134 LYS H H 1 0.73041 0.03232 . . . . . . . . . . 16234 1 108 . 1 1 135 135 LEU N N 15 . 1 1 135 135 LEU H H 1 0.77960 0.03337 . . . . . . . . . . 16234 1 109 . 1 1 137 137 VAL N N 15 . 1 1 137 137 VAL H H 1 0.45540 0.01652 . . . . . . . . . . 16234 1 110 . 1 1 138 138 LYS N N 15 . 1 1 138 138 LYS H H 1 0.31473 0.01664 . . . . . . . . . . 16234 1 111 . 1 1 140 140 ASP N N 15 . 1 1 140 140 ASP H H 1 -0.53029 0.00771 . . . . . . . . . . 16234 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronuclear_T1_list_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_1 _Heteronucl_T1_list.Entry_ID 16234 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 600 _Heteronucl_T1_list.T1_coherence_type Nz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 1 '2D 1H-15N HSQC' . . . 16234 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 2 2 VAL N N 15 1.13127 0.01891 . . . . . 16234 1 2 . 1 1 3 3 THR N N 15 1.13740 0.01373 . . . . . 16234 1 3 . 1 1 4 4 GLU N N 15 1.17019 0.00869 . . . . . 16234 1 4 . 1 1 5 5 THR N N 15 1.13117 0.01531 . . . . . 16234 1 5 . 1 1 6 6 VAL N N 15 1.19801 0.00882 . . . . . 16234 1 6 . 1 1 7 7 ASP N N 15 1.14440 0.00707 . . . . . 16234 1 7 . 1 1 9 9 GLN N N 15 1.20882 0.00884 . . . . . 16234 1 8 . 1 1 10 10 GLY N N 15 1.25537 0.01067 . . . . . 16234 1 9 . 1 1 11 11 GLN N N 15 1.12373 0.00530 . . . . . 16234 1 10 . 1 1 12 12 ALA N N 15 1.08422 0.00840 . . . . . 16234 1 11 . 1 1 13 13 TRP N N 15 1.07002 0.01534 . . . . . 16234 1 12 . 1 1 14 14 ARG N N 15 1.11634 0.01558 . . . . . 16234 1 13 . 1 1 15 15 HIS N N 15 1.11062 0.01455 . . . . . 16234 1 14 . 1 1 16 16 HIS N N 15 1.29246 0.01755 . . . . . 16234 1 15 . 1 1 17 17 ASN N N 15 1.17153 0.01264 . . . . . 16234 1 16 . 1 1 18 18 GLY N N 15 1.20646 0.05902 . . . . . 16234 1 17 . 1 1 19 19 PHE N N 15 1.27202 0.01088 . . . . . 16234 1 18 . 1 1 20 20 ASP N N 15 1.34406 0.01311 . . . . . 16234 1 19 . 1 1 23 23 VAL N N 15 1.00059 0.00810 . . . . . 16234 1 20 . 1 1 24 24 ILE N N 15 1.02191 0.01069 . . . . . 16234 1 21 . 1 1 25 25 LYS N N 15 0.97785 0.00941 . . . . . 16234 1 22 . 1 1 26 26 GLU N N 15 1.00437 0.00787 . . . . . 16234 1 23 . 1 1 27 27 LEU N N 15 1.02613 0.00944 . . . . . 16234 1 24 . 1 1 28 28 LYS N N 15 1.04061 0.01105 . . . . . 16234 1 25 . 1 1 29 29 THR N N 15 1.01266 0.00927 . . . . . 16234 1 26 . 1 1 30 30 ALA N N 15 1.00397 0.00841 . . . . . 16234 1 27 . 1 1 31 31 ALA N N 15 1.01780 0.00836 . . . . . 16234 1 28 . 1 1 32 32 SER N N 15 0.98465 0.00761 . . . . . 16234 1 29 . 1 1 33 33 GLN N N 15 0.96276 0.00711 . . . . . 16234 1 30 . 1 1 34 34 TYR N N 15 0.97004 0.01076 . . . . . 16234 1 31 . 1 1 35 35 GLY N N 15 1.05970 0.01040 . . . . . 16234 1 32 . 1 1 36 36 ALA N N 15 1.25830 0.02050 . . . . . 16234 1 33 . 1 1 37 37 THR N N 15 1.01308 0.00904 . . . . . 16234 1 34 . 1 1 38 38 ALA N N 15 1.18197 0.00767 . . . . . 16234 1 35 . 1 1 41 41 THR N N 15 0.96271 0.00870 . . . . . 16234 1 36 . 1 1 43 43 ALA N N 15 0.99125 0.00608 . . . . . 16234 1 37 . 1 1 44 44 ILE N N 15 0.93385 0.00984 . . . . . 16234 1 38 . 1 1 45 45 VAL N N 15 0.99481 0.00985 . . . . . 16234 1 39 . 1 1 46 46 GLU N N 15 0.98908 0.00850 . . . . . 16234 1 40 . 1 1 47 47 SER N N 15 0.94643 0.00663 . . . . . 16234 1 41 . 1 1 48 48 VAL N N 15 1.26111 0.00585 . . . . . 16234 1 42 . 1 1 49 49 ALA N N 15 1.02433 0.00840 . . . . . 16234 1 43 . 1 1 50 50 ASP N N 15 1.06092 0.00650 . . . . . 16234 1 44 . 1 1 51 51 ASN N N 15 1.04726 0.00563 . . . . . 16234 1 45 . 1 1 53 53 LEU N N 15 1.12244 0.01846 . . . . . 16234 1 46 . 1 1 54 54 THR N N 15 1.03728 0.01321 . . . . . 16234 1 47 . 1 1 57 57 ASP N N 15 1.10226 0.01455 . . . . . 16234 1 48 . 1 1 60 60 THR N N 15 1.02620 0.01291 . . . . . 16234 1 49 . 1 1 61 61 LEU N N 15 1.07392 0.01032 . . . . . 16234 1 50 . 1 1 63 63 ARG N N 15 1.01798 0.00991 . . . . . 16234 1 51 . 1 1 64 64 ALA N N 15 1.06488 0.00511 . . . . . 16234 1 52 . 1 1 65 65 VAL N N 15 1.02306 0.01159 . . . . . 16234 1 53 . 1 1 66 66 LEU N N 15 1.01465 0.00993 . . . . . 16234 1 54 . 1 1 67 67 SER N N 15 1.10590 0.01970 . . . . . 16234 1 55 . 1 1 70 70 ASP N N 15 1.23790 0.01012 . . . . . 16234 1 56 . 1 1 71 71 HIS N N 15 1.15182 0.00972 . . . . . 16234 1 57 . 1 1 72 72 LEU N N 15 1.06363 0.01073 . . . . . 16234 1 58 . 1 1 73 73 LEU N N 15 1.05521 0.00783 . . . . . 16234 1 59 . 1 1 74 74 TRP N N 15 1.11163 0.00937 . . . . . 16234 1 60 . 1 1 76 76 SER N N 15 1.03557 0.00772 . . . . . 16234 1 61 . 1 1 77 77 GLU N N 15 1.08637 0.01094 . . . . . 16234 1 62 . 1 1 78 78 PHE N N 15 1.07418 0.01438 . . . . . 16234 1 63 . 1 1 79 79 PHE N N 15 1.06326 0.01244 . . . . . 16234 1 64 . 1 1 80 80 GLU N N 15 1.03396 0.00484 . . . . . 16234 1 65 . 1 1 81 81 ASN N N 15 1.09041 0.00889 . . . . . 16234 1 66 . 1 1 85 85 THR N N 15 1.05147 0.00904 . . . . . 16234 1 67 . 1 1 86 86 ALA N N 15 1.06446 0.00852 . . . . . 16234 1 68 . 1 1 88 88 ARG N N 15 1.03586 0.00932 . . . . . 16234 1 69 . 1 1 89 89 ASN N N 15 1.05645 0.00916 . . . . . 16234 1 70 . 1 1 90 90 GLN N N 15 1.01566 0.00727 . . . . . 16234 1 71 . 1 1 91 91 GLN N N 15 1.19542 0.01091 . . . . . 16234 1 72 . 1 1 93 93 GLY N N 15 1.25001 0.01710 . . . . . 16234 1 73 . 1 1 94 94 ASN N N 15 1.20253 0.01633 . . . . . 16234 1 74 . 1 1 96 96 TRP N N 15 1.13252 0.00847 . . . . . 16234 1 75 . 1 1 97 97 ASP N N 15 0.96606 0.01080 . . . . . 16234 1 76 . 1 1 98 98 PHE N N 15 1.12157 0.02013 . . . . . 16234 1 77 . 1 1 99 99 ASP N N 15 1.12377 0.00860 . . . . . 16234 1 78 . 1 1 100 100 MET N N 15 1.11581 0.01314 . . . . . 16234 1 79 . 1 1 101 101 LEU N N 15 1.11202 0.01380 . . . . . 16234 1 80 . 1 1 102 102 THR N N 15 1.08297 0.01621 . . . . . 16234 1 81 . 1 1 103 103 GLY N N 15 1.30636 0.01225 . . . . . 16234 1 82 . 1 1 104 104 SER N N 15 1.15635 0.01111 . . . . . 16234 1 83 . 1 1 105 105 GLY N N 15 1.27212 0.02461 . . . . . 16234 1 84 . 1 1 107 107 TYR N N 15 1.11910 0.00985 . . . . . 16234 1 85 . 1 1 108 108 SER N N 15 1.16312 0.00681 . . . . . 16234 1 86 . 1 1 109 109 SER N N 15 1.25083 0.00760 . . . . . 16234 1 87 . 1 1 111 111 ASP N N 15 1.32460 0.00822 . . . . . 16234 1 88 . 1 1 112 112 ALA N N 15 1.12134 0.00797 . . . . . 16234 1 89 . 1 1 114 114 MET N N 15 1.20681 0.00980 . . . . . 16234 1 90 . 1 1 115 115 GLN N N 15 1.17004 0.01129 . . . . . 16234 1 91 . 1 1 116 116 TYR N N 15 1.08112 0.00990 . . . . . 16234 1 92 . 1 1 117 117 ASP N N 15 1.14536 0.01319 . . . . . 16234 1 93 . 1 1 119 119 GLY N N 15 1.23110 0.04222 . . . . . 16234 1 94 . 1 1 120 120 LEU N N 15 1.11258 0.01750 . . . . . 16234 1 95 . 1 1 121 121 PHE N N 15 0.99322 0.01094 . . . . . 16234 1 96 . 1 1 122 122 ALA N N 15 1.01619 0.00935 . . . . . 16234 1 97 . 1 1 123 123 GLN N N 15 0.96319 0.01047 . . . . . 16234 1 98 . 1 1 124 124 ILE N N 15 1.02321 0.01384 . . . . . 16234 1 99 . 1 1 125 125 GLN N N 15 1.04442 0.01282 . . . . . 16234 1 100 . 1 1 126 126 ALA N N 15 1.02564 0.01109 . . . . . 16234 1 101 . 1 1 127 127 ALA N N 15 0.99732 0.00747 . . . . . 16234 1 102 . 1 1 128 128 ALA N N 15 1.01361 0.00848 . . . . . 16234 1 103 . 1 1 130 130 LYS N N 15 1.01724 0.00834 . . . . . 16234 1 104 . 1 1 131 131 ALA N N 15 0.98105 0.00800 . . . . . 16234 1 105 . 1 1 132 132 TRP N N 15 0.95898 0.01043 . . . . . 16234 1 106 . 1 1 133 133 ARG N N 15 0.97662 0.01326 . . . . . 16234 1 107 . 1 1 134 134 LYS N N 15 0.98192 0.00897 . . . . . 16234 1 108 . 1 1 135 135 LEU N N 15 1.05305 0.01013 . . . . . 16234 1 109 . 1 1 137 137 VAL N N 15 1.19257 0.00508 . . . . . 16234 1 110 . 1 1 138 138 LYS N N 15 1.59277 0.00910 . . . . . 16234 1 111 . 1 1 140 140 ASP N N 15 1.10475 0.00174 . . . . . 16234 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 16234 _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 methanol _Heteronucl_T2_list.Temp_control_method 'single scan interleaving' _Heteronucl_T2_list.Spectrometer_frequency_1H 600 _Heteronucl_T2_list.T2_coherence_type Nz _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 '2D 1H-15N HSQC' . . . 16234 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 2 2 VAL N N 15 18.05835 0.50007 . . . . . . . 16234 1 2 . 1 1 3 3 THR N N 15 17.05131 0.31052 . . . . . . . 16234 1 3 . 1 1 4 4 GLU N N 15 16.60984 0.18034 . . . . . . . 16234 1 4 . 1 1 5 5 THR N N 15 16.15893 0.29003 . . . . . . . 16234 1 5 . 1 1 6 6 VAL N N 15 15.76485 0.17560 . . . . . . . 16234 1 6 . 1 1 7 7 ASP N N 15 15.32491 0.14242 . . . . . . . 16234 1 7 . 1 1 9 9 GLN N N 15 16.37085 0.17960 . . . . . . . 16234 1 8 . 1 1 10 10 GLY N N 15 14.70655 0.15994 . . . . . . . 16234 1 9 . 1 1 11 11 GLN N N 15 15.49530 0.09595 . . . . . . . 16234 1 10 . 1 1 12 12 ALA N N 15 14.04786 0.13642 . . . . . . . 16234 1 11 . 1 1 13 13 TRP N N 15 15.20546 0.24896 . . . . . . . 16234 1 12 . 1 1 14 14 ARG N N 15 15.87461 0.27664 . . . . . . . 16234 1 13 . 1 1 15 15 HIS N N 15 16.25344 0.30199 . . . . . . . 16234 1 14 . 1 1 16 16 HIS N N 15 18.42373 0.39089 . . . . . . . 16234 1 15 . 1 1 17 17 ASN N N 15 17.22152 0.30905 . . . . . . . 16234 1 16 . 1 1 18 18 GLY N N 15 21.46114 2.08234 . . . . . . . 16234 1 17 . 1 1 19 19 PHE N N 15 18.10621 0.24845 . . . . . . . 16234 1 18 . 1 1 20 20 ASP N N 15 16.51716 0.23846 . . . . . . . 16234 1 19 . 1 1 23 23 VAL N N 15 17.16234 0.16116 . . . . . . . 16234 1 20 . 1 1 24 24 ILE N N 15 18.05861 0.26109 . . . . . . . 16234 1 21 . 1 1 25 25 LYS N N 15 18.46222 0.22225 . . . . . . . 16234 1 22 . 1 1 26 26 GLU N N 15 18.63199 0.18481 . . . . . . . 16234 1 23 . 1 1 27 27 LEU N N 15 18.15465 0.21210 . . . . . . . 16234 1 24 . 1 1 28 28 LYS N N 15 18.40602 0.25265 . . . . . . . 16234 1 25 . 1 1 29 29 THR N N 15 19.54731 0.25385 . . . . . . . 16234 1 26 . 1 1 30 30 ALA N N 15 18.57704 0.21551 . . . . . . . 16234 1 27 . 1 1 31 31 ALA N N 15 18.21278 0.20292 . . . . . . . 16234 1 28 . 1 1 32 32 SER N N 15 17.20135 0.15872 . . . . . . . 16234 1 29 . 1 1 33 33 GLN N N 15 17.91860 0.17730 . . . . . . . 16234 1 30 . 1 1 34 34 TYR N N 15 17.98676 0.25018 . . . . . . . 16234 1 31 . 1 1 35 35 GLY N N 15 15.59526 0.19104 . . . . . . . 16234 1 32 . 1 1 36 36 ALA N N 15 19.44037 0.52458 . . . . . . . 16234 1 33 . 1 1 37 37 THR N N 15 17.50242 0.20515 . . . . . . . 16234 1 34 . 1 1 38 38 ALA N N 15 16.30941 0.13453 . . . . . . . 16234 1 35 . 1 1 41 41 THR N N 15 17.98888 0.21350 . . . . . . . 16234 1 36 . 1 1 43 43 ALA N N 15 19.04656 0.15707 . . . . . . . 16234 1 37 . 1 1 44 44 ILE N N 15 18.47086 0.25099 . . . . . . . 16234 1 38 . 1 1 45 45 VAL N N 15 18.65112 0.22071 . . . . . . . 16234 1 39 . 1 1 46 46 GLU N N 15 18.42806 0.20960 . . . . . . . 16234 1 40 . 1 1 47 47 SER N N 15 17.58088 0.15311 . . . . . . . 16234 1 41 . 1 1 48 48 VAL N N 15 6.59224 0.03514 . . . . . . . 16234 1 42 . 1 1 49 49 ALA N N 15 19.10834 0.18897 . . . . . . . 16234 1 43 . 1 1 50 50 ASP N N 15 16.69003 0.12319 . . . . . . . 16234 1 44 . 1 1 51 51 ASN N N 15 12.14639 0.07282 . . . . . . . 16234 1 45 . 1 1 53 53 LEU N N 15 17.54151 0.45082 . . . . . . . 16234 1 46 . 1 1 54 54 THR N N 15 13.78713 0.26305 . . . . . . . 16234 1 47 . 1 1 57 57 ASP N N 15 20.14326 0.43221 . . . . . . . 16234 1 48 . 1 1 60 60 THR N N 15 23.34141 0.54119 . . . . . . . 16234 1 49 . 1 1 61 61 LEU N N 15 17.77494 0.26029 . . . . . . . 16234 1 50 . 1 1 63 63 ARG N N 15 19.08140 0.22464 . . . . . . . 16234 1 51 . 1 1 64 64 ALA N N 15 17.72423 0.11962 . . . . . . . 16234 1 52 . 1 1 65 65 VAL N N 15 18.40310 0.24762 . . . . . . . 16234 1 53 . 1 1 66 66 LEU N N 15 19.12904 0.26305 . . . . . . . 16234 1 54 . 1 1 67 67 SER N N 15 18.17245 0.45056 . . . . . . . 16234 1 55 . 1 1 70 70 ASP N N 15 17.81729 0.22768 . . . . . . . 16234 1 56 . 1 1 71 71 HIS N N 15 18.14633 0.21346 . . . . . . . 16234 1 57 . 1 1 72 72 LEU N N 15 19.18092 0.25891 . . . . . . . 16234 1 58 . 1 1 73 73 LEU N N 15 17.14724 0.16175 . . . . . . . 16234 1 59 . 1 1 74 74 TRP N N 15 17.60273 0.20239 . . . . . . . 16234 1 60 . 1 1 76 76 SER N N 15 17.14775 0.17826 . . . . . . . 16234 1 61 . 1 1 77 77 GLU N N 15 17.14730 0.21612 . . . . . . . 16234 1 62 . 1 1 78 78 PHE N N 15 17.69430 0.30599 . . . . . . . 16234 1 63 . 1 1 79 79 PHE N N 15 18.90230 0.31614 . . . . . . . 16234 1 64 . 1 1 80 80 GLU N N 15 18.23012 0.10696 . . . . . . . 16234 1 65 . 1 1 81 81 ASN N N 15 17.62720 0.19592 . . . . . . . 16234 1 66 . 1 1 85 85 THR N N 15 17.61270 0.20053 . . . . . . . 16234 1 67 . 1 1 86 86 ALA N N 15 18.53930 0.22479 . . . . . . . 16234 1 68 . 1 1 88 88 ARG N N 15 17.67256 0.20338 . . . . . . . 16234 1 69 . 1 1 89 89 ASN N N 15 17.59869 0.22754 . . . . . . . 16234 1 70 . 1 1 90 90 GLN N N 15 15.88745 0.13889 . . . . . . . 16234 1 71 . 1 1 91 91 GLN N N 15 19.06068 0.26056 . . . . . . . 16234 1 72 . 1 1 93 93 GLY N N 15 19.10818 0.48019 . . . . . . . 16234 1 73 . 1 1 94 94 ASN N N 15 22.39392 0.54617 . . . . . . . 16234 1 74 . 1 1 96 96 TRP N N 15 15.16792 0.15770 . . . . . . . 16234 1 75 . 1 1 97 97 ASP N N 15 15.58373 0.21974 . . . . . . . 16234 1 76 . 1 1 98 98 PHE N N 15 17.30721 0.41400 . . . . . . . 16234 1 77 . 1 1 99 99 ASP N N 15 17.00927 0.19561 . . . . . . . 16234 1 78 . 1 1 100 100 MET N N 15 17.64543 0.30932 . . . . . . . 16234 1 79 . 1 1 101 101 LEU N N 15 17.45976 0.28968 . . . . . . . 16234 1 80 . 1 1 102 102 THR N N 15 16.87973 0.35014 . . . . . . . 16234 1 81 . 1 1 103 103 GLY N N 15 18.71367 0.23109 . . . . . . . 16234 1 82 . 1 1 104 104 SER N N 15 17.53617 0.27705 . . . . . . . 16234 1 83 . 1 1 105 105 GLY N N 15 22.28598 0.80866 . . . . . . . 16234 1 84 . 1 1 107 107 TYR N N 15 19.15307 0.31108 . . . . . . . 16234 1 85 . 1 1 108 108 SER N N 15 17.78348 0.17437 . . . . . . . 16234 1 86 . 1 1 109 109 SER N N 15 19.03770 0.20080 . . . . . . . 16234 1 87 . 1 1 111 111 ASP N N 15 19.37745 0.20924 . . . . . . . 16234 1 88 . 1 1 112 112 ALA N N 15 17.83986 0.18216 . . . . . . . 16234 1 89 . 1 1 114 114 MET N N 15 15.80407 0.19192 . . . . . . . 16234 1 90 . 1 1 115 115 GLN N N 15 16.92181 0.22673 . . . . . . . 16234 1 91 . 1 1 116 116 TYR N N 15 18.14680 0.23437 . . . . . . . 16234 1 92 . 1 1 117 117 ASP N N 15 16.28012 0.24417 . . . . . . . 16234 1 93 . 1 1 119 119 GLY N N 15 24.29938 1.49703 . . . . . . . 16234 1 94 . 1 1 120 120 LEU N N 15 19.46787 0.48679 . . . . . . . 16234 1 95 . 1 1 121 121 PHE N N 15 19.43399 0.30516 . . . . . . . 16234 1 96 . 1 1 122 122 ALA N N 15 19.72050 0.26595 . . . . . . . 16234 1 97 . 1 1 123 123 GLN N N 15 19.55681 0.30896 . . . . . . . 16234 1 98 . 1 1 124 124 ILE N N 15 17.31118 0.31285 . . . . . . . 16234 1 99 . 1 1 125 125 GLN N N 15 19.66483 0.37571 . . . . . . . 16234 1 100 . 1 1 126 126 ALA N N 15 19.18448 0.27349 . . . . . . . 16234 1 101 . 1 1 127 127 ALA N N 15 19.20943 0.19004 . . . . . . . 16234 1 102 . 1 1 128 128 ALA N N 15 18.91483 0.20788 . . . . . . . 16234 1 103 . 1 1 130 130 LYS N N 15 13.39617 0.12827 . . . . . . . 16234 1 104 . 1 1 131 131 ALA N N 15 18.88724 0.19425 . . . . . . . 16234 1 105 . 1 1 132 132 TRP N N 15 19.23337 0.26187 . . . . . . . 16234 1 106 . 1 1 133 133 ARG N N 15 17.62689 0.30258 . . . . . . . 16234 1 107 . 1 1 134 134 LYS N N 15 17.95950 0.20403 . . . . . . . 16234 1 108 . 1 1 135 135 LEU N N 15 17.41733 0.20844 . . . . . . . 16234 1 109 . 1 1 137 137 VAL N N 15 12.06260 0.06091 . . . . . . . 16234 1 110 . 1 1 138 138 LYS N N 15 9.84507 0.07382 . . . . . . . 16234 1 111 . 1 1 140 140 ASP N N 15 2.39653 0.00437 . . . . . . . 16234 1 stop_ save_