data_19361 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19361 _Entry.Title ; The Apo-structure of the Low Molecular Weight Protein-tyrosine Phosphatase A (MptpA) from Mycobacterium tuberculosis Allows for Better Target-specific Drug Development ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-07-11 _Entry.Accession_date 2013-07-11 _Entry.Last_release_date 2013-08-12 _Entry.Original_release_date 2013-08-12 _Entry.Origination author _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 Tanja Stehle . . . 19361 2 Sridhar Sreeramulu . . . 19361 3 Frank Lohr . . . 19361 4 Christian Richter . . . 19361 5 Krishna Saxena . . . 19361 6 Hendrik Jonker . 'R. A.' . 19361 7 Harold Schwalbe . . . 19361 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Institute for Organic Chemistry and Chemical Biology' . 19361 2 . 'Institute for Biophysical Chemistry, Center for Biomolecular Magnetic Resonance (BMRZ), Johann Wolfgang Goethe University' . 19361 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID heteronucl_NOEs 1 19361 heteronucl_T1_relaxation 1 19361 heteronucl_T2_relaxation 1 19361 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID 'heteronuclear NOE values' 134 19361 'T1 relaxation values' 136 19361 'T2 relaxation values' 133 19361 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 . . 2013-08-12 2013-07-11 original author . 19361 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19361 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22888002 _Citation.Full_citation . _Citation.Title 'The Apo-structure of the Low Molecular Weight Protein-tyrosine Phosphatase A (MptpA) from Mycobacterium tuberculosis Allows for Better Target-specific Drug Development' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 287 _Citation.Journal_issue 41 _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 34569 _Citation.Page_last 34582 _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 Tanja Stehle . . . 19361 1 2 Sridhar Sreeramulu . . . 19361 1 3 Frank Lohr . . . 19361 1 4 Christian Richter . . . 19361 1 5 Krishna Saxena . . . 19361 1 6 Hendrik Jonker . 'R. A.' . 19361 1 7 Harold Schwalbe . . . 19361 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19361 _Assembly.ID 1 _Assembly.Name MptpA _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 MptpA 1 $MptpA A . yes native no no . . . 19361 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MptpA _Entity.Sf_category entity _Entity.Sf_framecode MptpA _Entity.Entry_ID 19361 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name MptpA _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 ; GMSDPLHVTFVCTGNICRSP MAEKMFAQQLRHRGLGDAVR VTSAGTGNWHVGSCADERAA GVLRLHGYPTDHRAAQVGTE HLAADLLVALDRNHARLLRQ LGVEAARVRMLRSFDPRSGT HALDVEDPYYGDHSDFEEVF AVIESALPGLHDWVDERLAR NGPS ; _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 164 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not reported' _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 18533 . mptpa . . . . . 100.00 164 99.39 99.39 3.97e-114 . . . . 19361 1 2 no BMRB 19388 . MptpA . . . . . 100.00 164 100.00 100.00 6.13e-115 . . . . 19361 1 3 no BMRB 26513 . MptpA . . . . . 100.00 167 100.00 100.00 5.00e-115 . . . . 19361 1 4 no PDB 1U2P . "Crystal Structure Of Mycobacterium Tuberculosis Low Molecular Protein Tyrosine Phosphatase (Mptpa) At 1.9a Resolution" . . . . . 99.39 163 99.39 99.39 2.23e-113 . . . . 19361 1 5 no PDB 1U2Q . "Crystal Structure Of Mycobacterium Tuberculosis Low Molecular Weight Protein Tyrosine Phosphatase (Mptpa) At 2.5a Resolution Wi" . . . . . 99.39 163 99.39 99.39 2.23e-113 . . . . 19361 1 6 no PDB 2LUO . "Nmr Solution Structure Of Apo-Mptpa" . . . . . 100.00 164 99.39 99.39 3.97e-114 . . . . 19361 1 7 no DBJ BAH26529 . "phosphotyrosine protein phosphatase [Mycobacterium bovis BCG str. Tokyo 172]" . . . . . 99.39 163 99.39 99.39 2.23e-113 . . . . 19361 1 8 no DBJ BAL66249 . "phosphotyrosine protein phosphatase [Mycobacterium tuberculosis str. Erdman = ATCC 35801]" . . . . . 99.39 163 99.39 99.39 2.23e-113 . . . . 19361 1 9 no DBJ BAQ06307 . "phosphotyrosine protein phosphatase [Mycobacterium tuberculosis str. Kurono]" . . . . . 87.80 144 99.31 99.31 5.91e-97 . . . . 19361 1 10 no DBJ GAA45923 . "phosphotyrosine protein phosphatase [Mycobacterium tuberculosis NCGM2209]" . . . . . 87.80 144 99.31 99.31 5.91e-97 . . . . 19361 1 11 no EMBL CAL72239 . "Phosphotyrosine protein phosphatase ptpA [Mycobacterium bovis BCG str. Pasteur 1173P2]" . . . . . 99.39 163 99.39 99.39 2.23e-113 . . . . 19361 1 12 no EMBL CCC27315 . "phosphotyrosine protein phosphatase PTPA (protein-tyrosine-phosphatase) [Mycobacterium africanum GM041182]" . . . . . 99.39 163 99.39 99.39 2.23e-113 . . . . 19361 1 13 no EMBL CCC44588 . "phosphotyrosine protein phosphatase PTPA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) [Mycobacterium canettii CIPT" . . . . . 99.39 163 99.39 99.39 2.23e-113 . . . . 19361 1 14 no EMBL CCC64828 . "Phosphotyrosine protein phosphatase ptpA [Mycobacterium bovis BCG str. Moreau RDJ]" . . . . . 99.39 163 99.39 99.39 2.23e-113 . . . . 19361 1 15 no EMBL CCE37704 . "ptpA [Mycobacterium tuberculosis UT205]" . . . . . 99.39 163 99.39 99.39 2.23e-113 . . . . 19361 1 16 no GB AAK46577 . "protein tyrosine phosphatase [Mycobacterium tuberculosis CDC1551]" . . . . . 99.39 163 99.39 99.39 2.23e-113 . . . . 19361 1 17 no GB ABQ74015 . "protein tyrosine phosphatase [Mycobacterium tuberculosis H37Ra]" . . . . . 99.39 163 99.39 99.39 2.23e-113 . . . . 19361 1 18 no GB ABR06594 . "phosphotyrosine protein phosphatase ptpA [Mycobacterium tuberculosis F11]" . . . . . 99.39 163 99.39 99.39 2.23e-113 . . . . 19361 1 19 no GB ACT24805 . "phosphotyrosine protein phosphatase ptpA [Mycobacterium tuberculosis KZN 1435]" . . . . . 99.39 163 99.39 99.39 2.23e-113 . . . . 19361 1 20 no GB AEB03885 . "phosphotyrosine protein phosphatase ptpA [Mycobacterium tuberculosis KZN 4207]" . . . . . 99.39 163 99.39 99.39 2.23e-113 . . . . 19361 1 21 no REF NP_216750 . "protein-tyrosine-phosphatase [Mycobacterium tuberculosis H37Rv]" . . . . . 99.39 163 99.39 99.39 2.23e-113 . . . . 19361 1 22 no REF NP_855907 . "phosphotyrosine protein phosphatase PtpA [Mycobacterium bovis AF2122/97]" . . . . . 99.39 163 99.39 99.39 2.23e-113 . . . . 19361 1 23 no REF WP_003411510 . "MULTISPECIES: protein-tyrosine-phosphatase [Mycobacterium]" . . . . . 99.39 163 99.39 99.39 2.23e-113 . . . . 19361 1 24 no REF WP_003899227 . "protein-tyrosine-phosphatase [Mycobacterium tuberculosis]" . . . . . 99.39 163 98.77 98.77 1.17e-112 . . . . 19361 1 25 no REF WP_015288274 . "phosphotyrosine protein phosphatase PtpA [Mycobacterium canettii]" . . . . . 99.39 163 98.77 98.77 2.24e-112 . . . . 19361 1 26 no SP P65717 . "RecName: Full=Probable low molecular weight protein-tyrosine-phosphatase; Short=PTPase" . . . . . 99.39 163 99.39 99.39 2.23e-113 . . . . 19361 1 27 no SP P9WIA0 . "RecName: Full=Probable low molecular weight protein-tyrosine-phosphatase; Short=PTPase" . . . . . 99.39 163 99.39 99.39 2.23e-113 . . . . 19361 1 28 no SP P9WIA1 . "RecName: Full=Probable low molecular weight protein-tyrosine-phosphatase; Short=PTPase" . . . . . 99.39 163 99.39 99.39 2.23e-113 . . . . 19361 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Dephosphorylation of host macrophage protein VPS33B to block phagosome-lysosome fusion and trafficking' 19361 1 'Essential for infection of host macrophages' 19361 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 0 GLY . 19361 1 2 1 MET . 19361 1 3 2 SER . 19361 1 4 3 ASP . 19361 1 5 4 PRO . 19361 1 6 5 LEU . 19361 1 7 6 HIS . 19361 1 8 7 VAL . 19361 1 9 8 THR . 19361 1 10 9 PHE . 19361 1 11 10 VAL . 19361 1 12 11 CYS . 19361 1 13 12 THR . 19361 1 14 13 GLY . 19361 1 15 14 ASN . 19361 1 16 15 ILE . 19361 1 17 16 CYS . 19361 1 18 17 ARG . 19361 1 19 18 SER . 19361 1 20 19 PRO . 19361 1 21 20 MET . 19361 1 22 21 ALA . 19361 1 23 22 GLU . 19361 1 24 23 LYS . 19361 1 25 24 MET . 19361 1 26 25 PHE . 19361 1 27 26 ALA . 19361 1 28 27 GLN . 19361 1 29 28 GLN . 19361 1 30 29 LEU . 19361 1 31 30 ARG . 19361 1 32 31 HIS . 19361 1 33 32 ARG . 19361 1 34 33 GLY . 19361 1 35 34 LEU . 19361 1 36 35 GLY . 19361 1 37 36 ASP . 19361 1 38 37 ALA . 19361 1 39 38 VAL . 19361 1 40 39 ARG . 19361 1 41 40 VAL . 19361 1 42 41 THR . 19361 1 43 42 SER . 19361 1 44 43 ALA . 19361 1 45 44 GLY . 19361 1 46 45 THR . 19361 1 47 46 GLY . 19361 1 48 47 ASN . 19361 1 49 48 TRP . 19361 1 50 49 HIS . 19361 1 51 50 VAL . 19361 1 52 51 GLY . 19361 1 53 52 SER . 19361 1 54 53 CYS . 19361 1 55 54 ALA . 19361 1 56 55 ASP . 19361 1 57 56 GLU . 19361 1 58 57 ARG . 19361 1 59 58 ALA . 19361 1 60 59 ALA . 19361 1 61 60 GLY . 19361 1 62 61 VAL . 19361 1 63 62 LEU . 19361 1 64 63 ARG . 19361 1 65 64 LEU . 19361 1 66 65 HIS . 19361 1 67 66 GLY . 19361 1 68 67 TYR . 19361 1 69 68 PRO . 19361 1 70 69 THR . 19361 1 71 70 ASP . 19361 1 72 71 HIS . 19361 1 73 72 ARG . 19361 1 74 73 ALA . 19361 1 75 74 ALA . 19361 1 76 75 GLN . 19361 1 77 76 VAL . 19361 1 78 77 GLY . 19361 1 79 78 THR . 19361 1 80 79 GLU . 19361 1 81 80 HIS . 19361 1 82 81 LEU . 19361 1 83 82 ALA . 19361 1 84 83 ALA . 19361 1 85 84 ASP . 19361 1 86 85 LEU . 19361 1 87 86 LEU . 19361 1 88 87 VAL . 19361 1 89 88 ALA . 19361 1 90 89 LEU . 19361 1 91 90 ASP . 19361 1 92 91 ARG . 19361 1 93 92 ASN . 19361 1 94 93 HIS . 19361 1 95 94 ALA . 19361 1 96 95 ARG . 19361 1 97 96 LEU . 19361 1 98 97 LEU . 19361 1 99 98 ARG . 19361 1 100 99 GLN . 19361 1 101 100 LEU . 19361 1 102 101 GLY . 19361 1 103 102 VAL . 19361 1 104 103 GLU . 19361 1 105 104 ALA . 19361 1 106 105 ALA . 19361 1 107 106 ARG . 19361 1 108 107 VAL . 19361 1 109 108 ARG . 19361 1 110 109 MET . 19361 1 111 110 LEU . 19361 1 112 111 ARG . 19361 1 113 112 SER . 19361 1 114 113 PHE . 19361 1 115 114 ASP . 19361 1 116 115 PRO . 19361 1 117 116 ARG . 19361 1 118 117 SER . 19361 1 119 118 GLY . 19361 1 120 119 THR . 19361 1 121 120 HIS . 19361 1 122 121 ALA . 19361 1 123 122 LEU . 19361 1 124 123 ASP . 19361 1 125 124 VAL . 19361 1 126 125 GLU . 19361 1 127 126 ASP . 19361 1 128 127 PRO . 19361 1 129 128 TYR . 19361 1 130 129 TYR . 19361 1 131 130 GLY . 19361 1 132 131 ASP . 19361 1 133 132 HIS . 19361 1 134 133 SER . 19361 1 135 134 ASP . 19361 1 136 135 PHE . 19361 1 137 136 GLU . 19361 1 138 137 GLU . 19361 1 139 138 VAL . 19361 1 140 139 PHE . 19361 1 141 140 ALA . 19361 1 142 141 VAL . 19361 1 143 142 ILE . 19361 1 144 143 GLU . 19361 1 145 144 SER . 19361 1 146 145 ALA . 19361 1 147 146 LEU . 19361 1 148 147 PRO . 19361 1 149 148 GLY . 19361 1 150 149 LEU . 19361 1 151 150 HIS . 19361 1 152 151 ASP . 19361 1 153 152 TRP . 19361 1 154 153 VAL . 19361 1 155 154 ASP . 19361 1 156 155 GLU . 19361 1 157 156 ARG . 19361 1 158 157 LEU . 19361 1 159 158 ALA . 19361 1 160 159 ARG . 19361 1 161 160 ASN . 19361 1 162 161 GLY . 19361 1 163 162 PRO . 19361 1 164 163 SER . 19361 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 19361 1 . MET 2 2 19361 1 . SER 3 3 19361 1 . ASP 4 4 19361 1 . PRO 5 5 19361 1 . LEU 6 6 19361 1 . HIS 7 7 19361 1 . VAL 8 8 19361 1 . THR 9 9 19361 1 . PHE 10 10 19361 1 . VAL 11 11 19361 1 . CYS 12 12 19361 1 . THR 13 13 19361 1 . GLY 14 14 19361 1 . ASN 15 15 19361 1 . ILE 16 16 19361 1 . CYS 17 17 19361 1 . ARG 18 18 19361 1 . SER 19 19 19361 1 . PRO 20 20 19361 1 . MET 21 21 19361 1 . ALA 22 22 19361 1 . GLU 23 23 19361 1 . LYS 24 24 19361 1 . MET 25 25 19361 1 . PHE 26 26 19361 1 . ALA 27 27 19361 1 . GLN 28 28 19361 1 . GLN 29 29 19361 1 . LEU 30 30 19361 1 . ARG 31 31 19361 1 . HIS 32 32 19361 1 . ARG 33 33 19361 1 . GLY 34 34 19361 1 . LEU 35 35 19361 1 . GLY 36 36 19361 1 . ASP 37 37 19361 1 . ALA 38 38 19361 1 . VAL 39 39 19361 1 . ARG 40 40 19361 1 . VAL 41 41 19361 1 . THR 42 42 19361 1 . SER 43 43 19361 1 . ALA 44 44 19361 1 . GLY 45 45 19361 1 . THR 46 46 19361 1 . GLY 47 47 19361 1 . ASN 48 48 19361 1 . TRP 49 49 19361 1 . HIS 50 50 19361 1 . VAL 51 51 19361 1 . GLY 52 52 19361 1 . SER 53 53 19361 1 . CYS 54 54 19361 1 . ALA 55 55 19361 1 . ASP 56 56 19361 1 . GLU 57 57 19361 1 . ARG 58 58 19361 1 . ALA 59 59 19361 1 . ALA 60 60 19361 1 . GLY 61 61 19361 1 . VAL 62 62 19361 1 . LEU 63 63 19361 1 . ARG 64 64 19361 1 . LEU 65 65 19361 1 . HIS 66 66 19361 1 . GLY 67 67 19361 1 . TYR 68 68 19361 1 . PRO 69 69 19361 1 . THR 70 70 19361 1 . ASP 71 71 19361 1 . HIS 72 72 19361 1 . ARG 73 73 19361 1 . ALA 74 74 19361 1 . ALA 75 75 19361 1 . GLN 76 76 19361 1 . VAL 77 77 19361 1 . GLY 78 78 19361 1 . THR 79 79 19361 1 . GLU 80 80 19361 1 . HIS 81 81 19361 1 . LEU 82 82 19361 1 . ALA 83 83 19361 1 . ALA 84 84 19361 1 . ASP 85 85 19361 1 . LEU 86 86 19361 1 . LEU 87 87 19361 1 . VAL 88 88 19361 1 . ALA 89 89 19361 1 . LEU 90 90 19361 1 . ASP 91 91 19361 1 . ARG 92 92 19361 1 . ASN 93 93 19361 1 . HIS 94 94 19361 1 . ALA 95 95 19361 1 . ARG 96 96 19361 1 . LEU 97 97 19361 1 . LEU 98 98 19361 1 . ARG 99 99 19361 1 . GLN 100 100 19361 1 . LEU 101 101 19361 1 . GLY 102 102 19361 1 . VAL 103 103 19361 1 . GLU 104 104 19361 1 . ALA 105 105 19361 1 . ALA 106 106 19361 1 . ARG 107 107 19361 1 . VAL 108 108 19361 1 . ARG 109 109 19361 1 . MET 110 110 19361 1 . LEU 111 111 19361 1 . ARG 112 112 19361 1 . SER 113 113 19361 1 . PHE 114 114 19361 1 . ASP 115 115 19361 1 . PRO 116 116 19361 1 . ARG 117 117 19361 1 . SER 118 118 19361 1 . GLY 119 119 19361 1 . THR 120 120 19361 1 . HIS 121 121 19361 1 . ALA 122 122 19361 1 . LEU 123 123 19361 1 . ASP 124 124 19361 1 . VAL 125 125 19361 1 . GLU 126 126 19361 1 . ASP 127 127 19361 1 . PRO 128 128 19361 1 . TYR 129 129 19361 1 . TYR 130 130 19361 1 . GLY 131 131 19361 1 . ASP 132 132 19361 1 . HIS 133 133 19361 1 . SER 134 134 19361 1 . ASP 135 135 19361 1 . PHE 136 136 19361 1 . GLU 137 137 19361 1 . GLU 138 138 19361 1 . VAL 139 139 19361 1 . PHE 140 140 19361 1 . ALA 141 141 19361 1 . VAL 142 142 19361 1 . ILE 143 143 19361 1 . GLU 144 144 19361 1 . SER 145 145 19361 1 . ALA 146 146 19361 1 . LEU 147 147 19361 1 . PRO 148 148 19361 1 . GLY 149 149 19361 1 . LEU 150 150 19361 1 . HIS 151 151 19361 1 . ASP 152 152 19361 1 . TRP 153 153 19361 1 . VAL 154 154 19361 1 . ASP 155 155 19361 1 . GLU 156 156 19361 1 . ARG 157 157 19361 1 . LEU 158 158 19361 1 . ALA 159 159 19361 1 . ARG 160 160 19361 1 . ASN 161 161 19361 1 . GLY 162 162 19361 1 . PRO 163 163 19361 1 . SER 164 164 19361 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 19361 _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 $MptpA . 1773 organism . 'Mycobacterium tuberculosis' 'Mycobacterium tuberculosis' . . Bacteria . Mycobacterium tuberculosis . . . . . . . . . . . . . . . . . . . . . 19361 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 19361 _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 $MptpA . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3)pLysS . . . . . . . . . . . . . . . pET16bTEV . . . . . . 19361 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19361 _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 MptpA '[U-100% 15N]' . . 1 $MptpA . . 1.0 . . mM . . . . 19361 1 2 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 19361 1 3 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . 19361 1 4 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 19361 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19361 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19361 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 19361 _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 pH 7.0 . pH 19361 1 pressure 1 . atm 19361 1 temperature 298 . K 19361 1 stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 19361 _Software.ID 1 _Software.Name ARIA _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 19361 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19361 1 'structure solution' 19361 1 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 19361 _Software.ID 2 _Software.Name CNS _Software.Version 1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 19361 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19361 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19361 _Software.ID 3 _Software.Name CYANA _Software.Version 3.9 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 19361 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19361 3 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19361 _Software.ID 4 _Software.Name SPARKY _Software.Version 3.114 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 19361 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19361 4 'data analysis' 19361 4 'peak picking' 19361 4 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19361 _Software.ID 5 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19361 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19361 5 processing 19361 5 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 19361 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'TXI-HCN cryogenic probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19361 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'TXI-HCN cryogenic probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 19361 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details 'TXI-HCN cryogenic probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 19361 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details 'TXI-HCN cryogenic probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_5 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_5 _NMR_spectrometer.Entry_ID 19361 _NMR_spectrometer.ID 5 _NMR_spectrometer.Details 'TXI-HCN cryogenic probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_6 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_6 _NMR_spectrometer.Entry_ID 19361 _NMR_spectrometer.ID 6 _NMR_spectrometer.Details 'TXI-HCN cryogenic probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 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 19361 _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 'TXI-HCN cryogenic probe' . . 19361 1 2 spectrometer_2 Bruker Avance . 500 'TXI-HCN cryogenic probe' . . 19361 1 3 spectrometer_3 Bruker Avance . 700 'TXI-HCN cryogenic probe' . . 19361 1 4 spectrometer_4 Bruker Avance . 800 'TXI-HCN cryogenic probe' . . 19361 1 5 spectrometer_5 Bruker Avance . 900 'TXI-HCN cryogenic probe' . . 19361 1 6 spectrometer_6 Bruker Avance . 950 'TXI-HCN cryogenic probe' . . 19361 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 19361 _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 '3D 1H,1H-NOESY-15N-TROSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19361 1 2 '3D 1H,1H-NOESY-13C-HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19361 1 3 '13C,1H-TROSY based 3D 13C separated 1H,1H-NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19361 1 4 'T1 measurement' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19361 1 5 'T2 measurement' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19361 1 stop_ save_ save_T1_measurement_sample_1_sample_conditions_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode T1_measurement_sample_1_sample_conditions_1 _NMR_spec_expt.Entry_ID 19361 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Delays (ms): 10, 100, 400, 600, 800, 1000, 1200, 1500' save_ save_T2_measurement_sample_1_sample_conditions_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode T2_measurement_sample_1_sample_conditions_1 _NMR_spec_expt.Entry_ID 19361 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Delays (ms): 35.2, 70.4, 105.6, 140.8, 176.0, 211.2, 246.4, 281.6' 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 19361 _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 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 0 _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 '3D 1H,1H-NOESY-15N-TROSY' . . . 19361 1 2 '3D 1H,1H-NOESY-13C-HSQC aliphatic' . . . 19361 1 3 '13C,1H-TROSY based 3D 13C separated 1H,1H-NOESY aromatic' . . . 19361 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 1 1 GLY N N 15 . 1 1 1 1 GLY H H 1 -0.7982 0.0005 . . . 0 GLY N . 0 GLY H 19361 1 2 . 1 1 2 2 MET N N 15 . 1 1 2 2 MET H H 1 -0.3627 0.0055 . . . 1 MET N . 1 MET H 19361 1 3 . 1 1 3 3 SER N N 15 . 1 1 3 3 SER H H 1 -0.2568 0.0137 . . . 2 SER N . 2 SER H 19361 1 4 . 1 1 4 4 ASP N N 15 . 1 1 4 4 ASP H H 1 0.0868 0.0198 . . . 3 ASP N . 3 ASP H 19361 1 5 . 1 1 6 6 LEU N N 15 . 1 1 6 6 LEU H H 1 0.6192 0.0170 . . . 5 LEU N . 5 LEU H 19361 1 6 . 1 1 7 7 HIS N N 15 . 1 1 7 7 HIS H H 1 0.7939 0.0226 . . . 6 HIS N . 6 HIS H 19361 1 7 . 1 1 8 8 VAL N N 15 . 1 1 8 8 VAL H H 1 0.7943 0.0256 . . . 7 VAL N . 7 VAL H 19361 1 8 . 1 1 9 9 THR N N 15 . 1 1 9 9 THR H H 1 0.8196 0.0134 . . . 8 THR N . 8 THR H 19361 1 9 . 1 1 10 10 PHE N N 15 . 1 1 10 10 PHE H H 1 0.8161 0.0269 . . . 9 PHE N . 9 PHE H 19361 1 10 . 1 1 11 11 VAL N N 15 . 1 1 11 11 VAL H H 1 0.8094 0.0199 . . . 10 VAL N . 10 VAL H 19361 1 11 . 1 1 12 12 CYS N N 15 . 1 1 12 12 CYS H H 1 0.8213 0.0185 . . . 11 CYS N . 11 CYS H 19361 1 12 . 1 1 15 15 ASN N N 15 . 1 1 15 15 ASN H H 1 0.8226 0.0309 . . . 14 ASN N . 14 ASN H 19361 1 13 . 1 1 17 17 CYS N N 15 . 1 1 17 17 CYS H H 1 0.8759 0.0472 . . . 16 CYS N . 16 CYS H 19361 1 14 . 1 1 21 21 MET N N 15 . 1 1 21 21 MET H H 1 0.7702 0.0173 . . . 20 MET N . 20 MET H 19361 1 15 . 1 1 22 22 ALA N N 15 . 1 1 22 22 ALA H H 1 0.8071 0.0195 . . . 21 ALA N . 21 ALA H 19361 1 16 . 1 1 23 23 GLU N N 15 . 1 1 23 23 GLU H H 1 0.8340 0.0172 . . . 22 GLU N . 22 GLU H 19361 1 17 . 1 1 24 24 LYS N N 15 . 1 1 24 24 LYS H H 1 0.8122 0.0210 . . . 23 LYS N . 23 LYS H 19361 1 18 . 1 1 25 25 MET N N 15 . 1 1 25 25 MET H H 1 0.908 0.0189 . . . 24 MET N . 24 MET H 19361 1 19 . 1 1 27 27 ALA N N 15 . 1 1 27 27 ALA H H 1 0.8166 0.0141 . . . 26 ALA N . 26 ALA H 19361 1 20 . 1 1 28 28 GLN N N 15 . 1 1 28 28 GLN H H 1 0.8214 0.0135 . . . 27 GLN N . 27 GLN H 19361 1 21 . 1 1 29 29 GLN N N 15 . 1 1 29 29 GLN H H 1 0.8419 0.0184 . . . 28 GLN N . 28 GLN H 19361 1 22 . 1 1 31 31 ARG N N 15 . 1 1 31 31 ARG H H 1 0.7881 0.0108 . . . 30 ARG N . 30 ARG H 19361 1 23 . 1 1 32 32 HIS N N 15 . 1 1 32 32 HIS H H 1 0.8395 0.0126 . . . 31 HIS N . 31 HIS H 19361 1 24 . 1 1 33 33 ARG N N 15 . 1 1 33 33 ARG H H 1 0.7769 0.0154 . . . 32 ARG N . 32 ARG H 19361 1 25 . 1 1 34 34 GLY N N 15 . 1 1 34 34 GLY H H 1 0.7784 0.0152 . . . 33 GLY N . 33 GLY H 19361 1 26 . 1 1 35 35 LEU N N 15 . 1 1 35 35 LEU H H 1 0.8004 0.0145 . . . 34 LEU N . 34 LEU H 19361 1 27 . 1 1 36 36 GLY N N 15 . 1 1 36 36 GLY H H 1 0.7580 0.0163 . . . 35 GLY N . 35 GLY H 19361 1 28 . 1 1 38 38 ALA N N 15 . 1 1 38 38 ALA H H 1 0.7560 0.0145 . . . 37 ALA N . 37 ALA H 19361 1 29 . 1 1 39 39 VAL N N 15 . 1 1 39 39 VAL H H 1 0.7837 0.0131 . . . 38 VAL N . 38 VAL H 19361 1 30 . 1 1 40 40 ARG N N 15 . 1 1 40 40 ARG H H 1 0.8266 0.0244 . . . 39 ARG N . 39 ARG H 19361 1 31 . 1 1 41 41 VAL N N 15 . 1 1 41 41 VAL H H 1 0.7745 0.0170 . . . 40 VAL N . 40 VAL H 19361 1 32 . 1 1 42 42 THR N N 15 . 1 1 42 42 THR H H 1 0.8444 0.0201 . . . 41 THR N . 41 THR H 19361 1 33 . 1 1 43 43 SER N N 15 . 1 1 43 43 SER H H 1 0.8600 0.0181 . . . 42 SER N . 42 SER H 19361 1 34 . 1 1 44 44 ALA N N 15 . 1 1 44 44 ALA H H 1 0.7869 0.0138 . . . 43 ALA N . 43 ALA H 19361 1 35 . 1 1 45 45 GLY N N 15 . 1 1 45 45 GLY H H 1 0.7569 0.0248 . . . 44 GLY N . 44 GLY H 19361 1 36 . 1 1 46 46 THR N N 15 . 1 1 46 46 THR H H 1 0.8114 0.0217 . . . 45 THR N . 45 THR H 19361 1 37 . 1 1 47 47 GLY N N 15 . 1 1 47 47 GLY H H 1 0.7690 0.0190 . . . 46 GLY N . 46 GLY H 19361 1 38 . 1 1 48 48 ASN N N 15 . 1 1 48 48 ASN H H 1 0.7559 0.0221 . . . 47 ASN N . 47 ASN H 19361 1 39 . 1 1 49 49 TRP N N 15 . 1 1 49 49 TRP H H 1 0.8079 0.0218 . . . 48 TRP N . 48 TRP H 19361 1 40 . 1 1 50 50 HIS N N 15 . 1 1 50 50 HIS H H 1 0.8002 0.0221 . . . 49 HIS N . 49 HIS H 19361 1 41 . 1 1 51 51 VAL N N 15 . 1 1 51 51 VAL H H 1 0.6988 0.0113 . . . 50 VAL N . 50 VAL H 19361 1 42 . 1 1 52 52 GLY N N 15 . 1 1 52 52 GLY H H 1 0.7778 0.0214 . . . 51 GLY N . 51 GLY H 19361 1 43 . 1 1 53 53 SER N N 15 . 1 1 53 53 SER H H 1 0.8303 0.0147 . . . 52 SER N . 52 SER H 19361 1 44 . 1 1 54 54 CYS N N 15 . 1 1 54 54 CYS H H 1 0.7971 0.0130 . . . 53 CYS N . 53 CYS H 19361 1 45 . 1 1 56 56 ASP N N 15 . 1 1 56 56 ASP H H 1 0.8691 0.0262 . . . 55 ASP N . 55 ASP H 19361 1 46 . 1 1 57 57 GLU N N 15 . 1 1 57 57 GLU H H 1 0.8166 0.0197 . . . 56 GLU N . 56 GLU H 19361 1 47 . 1 1 58 58 ARG N N 15 . 1 1 58 58 ARG H H 1 0.8018 0.0203 . . . 57 ARG N . 57 ARG H 19361 1 48 . 1 1 59 59 ALA N N 15 . 1 1 59 59 ALA H H 1 0.8253 0.0169 . . . 58 ALA N . 58 ALA H 19361 1 49 . 1 1 61 61 GLY N N 15 . 1 1 61 61 GLY H H 1 0.8269 0.0160 . . . 60 GLY N . 60 GLY H 19361 1 50 . 1 1 62 62 VAL N N 15 . 1 1 62 62 VAL H H 1 0.7834 0.0128 . . . 61 VAL N . 61 VAL H 19361 1 51 . 1 1 63 63 LEU N N 15 . 1 1 63 63 LEU H H 1 0.7658 0.0171 . . . 62 LEU N . 62 LEU H 19361 1 52 . 1 1 64 64 ARG N N 15 . 1 1 64 64 ARG H H 1 0.7854 0.0144 . . . 63 ARG N . 63 ARG H 19361 1 53 . 1 1 65 65 LEU N N 15 . 1 1 65 65 LEU H H 1 0.8008 0.0122 . . . 64 LEU N . 64 LEU H 19361 1 54 . 1 1 66 66 HIS N N 15 . 1 1 66 66 HIS H H 1 0.7836 0.0143 . . . 65 HIS N . 65 HIS H 19361 1 55 . 1 1 67 67 GLY N N 15 . 1 1 67 67 GLY H H 1 0.7978 0.0151 . . . 66 GLY N . 66 GLY H 19361 1 56 . 1 1 68 68 TYR N N 15 . 1 1 68 68 TYR H H 1 0.8282 0.0141 . . . 67 TYR N . 67 TYR H 19361 1 57 . 1 1 70 70 THR N N 15 . 1 1 70 70 THR H H 1 0.7956 0.0170 . . . 69 THR N . 69 THR H 19361 1 58 . 1 1 72 72 HIS N N 15 . 1 1 72 72 HIS H H 1 0.7964 0.0131 . . . 71 HIS N . 71 HIS H 19361 1 59 . 1 1 73 73 ARG N N 15 . 1 1 73 73 ARG H H 1 0.7892 0.0132 . . . 72 ARG N . 72 ARG H 19361 1 60 . 1 1 74 74 ALA N N 15 . 1 1 74 74 ALA H H 1 0.8250 0.0178 . . . 73 ALA N . 73 ALA H 19361 1 61 . 1 1 75 75 ALA N N 15 . 1 1 75 75 ALA H H 1 0.8196 0.0189 . . . 74 ALA N . 74 ALA H 19361 1 62 . 1 1 76 76 GLN N N 15 . 1 1 76 76 GLN H H 1 0.8027 0.0192 . . . 75 GLN N . 75 GLN H 19361 1 63 . 1 1 77 77 VAL N N 15 . 1 1 77 77 VAL H H 1 0.7986 0.0211 . . . 76 VAL N . 76 VAL H 19361 1 64 . 1 1 78 78 GLY N N 15 . 1 1 78 78 GLY H H 1 0.7675 0.0259 . . . 77 GLY N . 77 GLY H 19361 1 65 . 1 1 79 79 THR N N 15 . 1 1 79 79 THR H H 1 0.7976 0.0195 . . . 78 THR N . 78 THR H 19361 1 66 . 1 1 80 80 GLU N N 15 . 1 1 80 80 GLU H H 1 0.7886 0.0145 . . . 79 GLU N . 79 GLU H 19361 1 67 . 1 1 81 81 HIS N N 15 . 1 1 81 81 HIS H H 1 0.7778 0.0124 . . . 80 HIS N . 80 HIS H 19361 1 68 . 1 1 82 82 LEU N N 15 . 1 1 82 82 LEU H H 1 0.8126 0.0197 . . . 81 LEU N . 81 LEU H 19361 1 69 . 1 1 83 83 ALA N N 15 . 1 1 83 83 ALA H H 1 0.7711 0.0113 . . . 82 ALA N . 82 ALA H 19361 1 70 . 1 1 84 84 ALA N N 15 . 1 1 84 84 ALA H H 1 0.8182 0.0112 . . . 83 ALA N . 83 ALA H 19361 1 71 . 1 1 86 86 LEU N N 15 . 1 1 86 86 LEU H H 1 0.7837 0.0126 . . . 85 LEU N . 85 LEU H 19361 1 72 . 1 1 87 87 LEU N N 15 . 1 1 87 87 LEU H H 1 0.8333 0.0224 . . . 86 LEU N . 86 LEU H 19361 1 73 . 1 1 88 88 VAL N N 15 . 1 1 88 88 VAL H H 1 0.8171 0.0200 . . . 87 VAL N . 87 VAL H 19361 1 74 . 1 1 89 89 ALA N N 15 . 1 1 89 89 ALA H H 1 0.8040 0.0203 . . . 88 ALA N . 88 ALA H 19361 1 75 . 1 1 90 90 LEU N N 15 . 1 1 90 90 LEU H H 1 0.7974 0.0290 . . . 89 LEU N . 89 LEU H 19361 1 76 . 1 1 91 91 ASP N N 15 . 1 1 91 91 ASP H H 1 0.8444 0.0474 . . . 90 ASP N . 90 ASP H 19361 1 77 . 1 1 92 92 ARG N N 15 . 1 1 92 92 ARG H H 1 0.7804 0.0219 . . . 91 ARG N . 91 ARG H 19361 1 78 . 1 1 95 95 ALA N N 15 . 1 1 95 95 ALA H H 1 0.8110 0.0151 . . . 94 ALA N . 94 ALA H 19361 1 79 . 1 1 96 96 ARG N N 15 . 1 1 96 96 ARG H H 1 0.7844 0.0139 . . . 95 ARG N . 95 ARG H 19361 1 80 . 1 1 97 97 LEU N N 15 . 1 1 97 97 LEU H H 1 0.8108 0.0110 . . . 96 LEU N . 96 LEU H 19361 1 81 . 1 1 98 98 LEU N N 15 . 1 1 98 98 LEU H H 1 0.7677 0.0173 . . . 97 LEU N . 97 LEU H 19361 1 82 . 1 1 99 99 ARG N N 15 . 1 1 99 99 ARG H H 1 0.8064 0.0143 . . . 98 ARG N . 98 ARG H 19361 1 83 . 1 1 100 100 GLN N N 15 . 1 1 100 100 GLN H H 1 0.7883 0.0114 . . . 99 GLN N . 99 GLN H 19361 1 84 . 1 1 101 101 LEU N N 15 . 1 1 101 101 LEU H H 1 0.8037 0.0135 . . . 100 LEU N . 100 LEU H 19361 1 85 . 1 1 102 102 GLY N N 15 . 1 1 102 102 GLY H H 1 0.7979 0.0145 . . . 101 GLY N . 101 GLY H 19361 1 86 . 1 1 103 103 VAL N N 15 . 1 1 103 103 VAL H H 1 0.8437 0.0156 . . . 102 VAL N . 102 VAL H 19361 1 87 . 1 1 104 104 GLU N N 15 . 1 1 104 104 GLU H H 1 0.7723 0.0156 . . . 103 GLU N . 103 GLU H 19361 1 88 . 1 1 105 105 ALA N N 15 . 1 1 105 105 ALA H H 1 0.7790 0.0131 . . . 104 ALA N . 104 ALA H 19361 1 89 . 1 1 107 107 ARG N N 15 . 1 1 107 107 ARG H H 1 0.7683 0.0136 . . . 106 ARG N . 106 ARG H 19361 1 90 . 1 1 108 108 VAL N N 15 . 1 1 108 108 VAL H H 1 0.7797 0.0111 . . . 107 VAL N . 107 VAL H 19361 1 91 . 1 1 109 109 ARG N N 15 . 1 1 109 109 ARG H H 1 0.8076 0.0158 . . . 108 ARG N . 108 ARG H 19361 1 92 . 1 1 110 110 MET N N 15 . 1 1 110 110 MET H H 1 0.7678 0.0199 . . . 109 MET N . 109 MET H 19361 1 93 . 1 1 111 111 LEU N N 15 . 1 1 111 111 LEU H H 1 0.7988 0.0229 . . . 110 LEU N . 110 LEU H 19361 1 94 . 1 1 112 112 ARG N N 15 . 1 1 112 112 ARG H H 1 0.8368 0.0301 . . . 111 ARG N . 111 ARG H 19361 1 95 . 1 1 113 113 SER N N 15 . 1 1 113 113 SER H H 1 0.8448 0.0184 . . . 112 SER N . 112 SER H 19361 1 96 . 1 1 114 114 PHE N N 15 . 1 1 114 114 PHE H H 1 0.8277 0.0175 . . . 113 PHE N . 113 PHE H 19361 1 97 . 1 1 117 117 ARG N N 15 . 1 1 117 117 ARG H H 1 0.6816 0.0159 . . . 116 ARG N . 116 ARG H 19361 1 98 . 1 1 118 118 SER N N 15 . 1 1 118 118 SER H H 1 0.6598 0.0197 . . . 117 SER N . 117 SER H 19361 1 99 . 1 1 119 119 GLY N N 15 . 1 1 119 119 GLY H H 1 0.5947 0.0202 . . . 118 GLY N . 118 GLY H 19361 1 100 . 1 1 121 121 HIS N N 15 . 1 1 121 121 HIS H H 1 0.5808 0.0437 . . . 120 HIS N . 120 HIS H 19361 1 101 . 1 1 122 122 ALA N N 15 . 1 1 122 122 ALA H H 1 0.5166 0.0334 . . . 121 ALA N . 121 ALA H 19361 1 102 . 1 1 123 123 LEU N N 15 . 1 1 123 123 LEU H H 1 0.6017 0.0135 . . . 122 LEU N . 122 LEU H 19361 1 103 . 1 1 124 124 ASP N N 15 . 1 1 124 124 ASP H H 1 0.7085 0.0142 . . . 123 ASP N . 123 ASP H 19361 1 104 . 1 1 125 125 VAL N N 15 . 1 1 125 125 VAL H H 1 0.4950 0.0185 . . . 124 VAL N . 124 VAL H 19361 1 105 . 1 1 126 126 GLU N N 15 . 1 1 126 126 GLU H H 1 0.8059 0.0200 . . . 125 GLU N . 125 GLU H 19361 1 106 . 1 1 127 127 ASP N N 15 . 1 1 127 127 ASP H H 1 0.8005 0.0284 . . . 126 ASP N . 126 ASP H 19361 1 107 . 1 1 129 129 TYR N N 15 . 1 1 129 129 TYR H H 1 0.7398 0.0166 . . . 128 TYR N . 128 TYR H 19361 1 108 . 1 1 130 130 TYR N N 15 . 1 1 130 130 TYR H H 1 0.8269 0.0162 . . . 129 TYR N . 129 TYR H 19361 1 109 . 1 1 131 131 GLY N N 15 . 1 1 131 131 GLY H H 1 0.7602 0.0128 . . . 130 GLY N . 130 GLY H 19361 1 110 . 1 1 132 132 ASP N N 15 . 1 1 132 132 ASP H H 1 0.7634 0.0157 . . . 131 ASP N . 131 ASP H 19361 1 111 . 1 1 134 134 SER N N 15 . 1 1 134 134 SER H H 1 0.7727 0.0143 . . . 133 SER N . 133 SER H 19361 1 112 . 1 1 135 135 ASP N N 15 . 1 1 135 135 ASP H H 1 0.7817 0.0135 . . . 134 ASP N . 134 ASP H 19361 1 113 . 1 1 136 136 PHE N N 15 . 1 1 136 136 PHE H H 1 0.8137 0.0188 . . . 135 PHE N . 135 PHE H 19361 1 114 . 1 1 138 138 GLU N N 15 . 1 1 138 138 GLU H H 1 0.8026 0.0126 . . . 137 GLU N . 137 GLU H 19361 1 115 . 1 1 139 139 VAL N N 15 . 1 1 139 139 VAL H H 1 0.7793 0.0147 . . . 138 VAL N . 138 VAL H 19361 1 116 . 1 1 140 140 PHE N N 15 . 1 1 140 140 PHE H H 1 0.8335 0.0172 . . . 139 PHE N . 139 PHE H 19361 1 117 . 1 1 141 141 ALA N N 15 . 1 1 141 141 ALA H H 1 0.8655 0.0113 . . . 140 ALA N . 140 ALA H 19361 1 118 . 1 1 142 142 VAL N N 15 . 1 1 142 142 VAL H H 1 0.8018 0.0155 . . . 141 VAL N . 141 VAL H 19361 1 119 . 1 1 144 144 GLU N N 15 . 1 1 144 144 GLU H H 1 0.8020 0.0132 . . . 143 GLU N . 143 GLU H 19361 1 120 . 1 1 145 145 SER N N 15 . 1 1 145 145 SER H H 1 0.7830 0.0126 . . . 144 SER N . 144 SER H 19361 1 121 . 1 1 146 146 ALA N N 15 . 1 1 146 146 ALA H H 1 0.8341 0.0154 . . . 145 ALA N . 145 ALA H 19361 1 122 . 1 1 147 147 LEU N N 15 . 1 1 147 147 LEU H H 1 0.7581 0.0173 . . . 146 LEU N . 146 LEU H 19361 1 123 . 1 1 149 149 GLY N N 15 . 1 1 149 149 GLY H H 1 0.7732 0.0169 . . . 148 GLY N . 148 GLY H 19361 1 124 . 1 1 150 150 LEU N N 15 . 1 1 150 150 LEU H H 1 0.8200 0.0175 . . . 149 LEU N . 149 LEU H 19361 1 125 . 1 1 151 151 HIS N N 15 . 1 1 151 151 HIS H H 1 0.8354 0.0168 . . . 150 HIS N . 150 HIS H 19361 1 126 . 1 1 152 152 ASP N N 15 . 1 1 152 152 ASP H H 1 0.8211 0.0127 . . . 151 ASP N . 151 ASP H 19361 1 127 . 1 1 154 154 VAL N N 15 . 1 1 154 154 VAL H H 1 0.7794 0.0139 . . . 153 VAL N . 153 VAL H 19361 1 128 . 1 1 156 156 GLU N N 15 . 1 1 156 156 GLU H H 1 0.7951 0.0142 . . . 155 GLU N . 155 GLU H 19361 1 129 . 1 1 157 157 ARG N N 15 . 1 1 157 157 ARG H H 1 0.8165 0.0154 . . . 156 ARG N . 156 ARG H 19361 1 130 . 1 1 159 159 ALA N N 15 . 1 1 159 159 ALA H H 1 0.6982 0.0127 . . . 158 ALA N . 158 ALA H 19361 1 131 . 1 1 160 160 ARG N N 15 . 1 1 160 160 ARG H H 1 0.5097 0.0110 . . . 159 ARG N . 159 ARG H 19361 1 132 . 1 1 161 161 ASN N N 15 . 1 1 161 161 ASN H H 1 0.3012 0.0145 . . . 160 ASN N . 160 ASN H 19361 1 133 . 1 1 162 162 GLY N N 15 . 1 1 162 162 GLY H H 1 -0.2631 0.0051 . . . 161 GLY N . 161 GLY H 19361 1 134 . 1 1 164 164 SER N N 15 . 1 1 164 164 SER H H 1 -1.0553 0.0019 . . . 163 SER N . 163 SER H 19361 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 19361 _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 'not reported' _Heteronucl_T1_list.T1_val_units ms _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 4 'T1 measurement' . . . 19361 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 1 1 GLY N N 15 945.3 140.0 . . 0 GLY N 19361 1 2 . 1 1 2 2 MET N N 15 780.9 81.8 . . 1 MET N 19361 1 3 . 1 1 3 3 SER N N 15 800.7 92.7 . . 2 SER N 19361 1 4 . 1 1 4 4 ASP N N 15 791.0 80.9 . . 3 ASP N 19361 1 5 . 1 1 6 6 LEU N N 15 798.7 14.4 . . 5 LEU N 19361 1 6 . 1 1 7 7 HIS N N 15 834.0 14.4 . . 6 HIS N 19361 1 7 . 1 1 8 8 VAL N N 15 824.8 23.9 . . 7 VAL N 19361 1 8 . 1 1 9 9 THR N N 15 785.4 18.3 . . 8 THR N 19361 1 9 . 1 1 10 10 PHE N N 15 841.3 32.6 . . 9 PHE N 19361 1 10 . 1 1 11 11 VAL N N 15 786.1 30.0 . . 10 VAL N 19361 1 11 . 1 1 12 12 CYS N N 15 830.8 29.7 . . 11 CYS N 19361 1 12 . 1 1 15 15 ASN N N 15 774.2 19.9 . . 14 ASN N 19361 1 13 . 1 1 17 17 CYS N N 15 786.5 104.0 . . 16 CYS N 19361 1 14 . 1 1 21 21 MET N N 15 872.2 21.8 . . 20 MET N 19361 1 15 . 1 1 22 22 ALA N N 15 856.8 27.8 . . 21 ALA N 19361 1 16 . 1 1 23 23 GLU N N 15 848.2 35.7 . . 22 GLU N 19361 1 17 . 1 1 24 24 LYS N N 15 846.2 32.5 . . 23 LYS N 19361 1 18 . 1 1 25 25 MET N N 15 847.4 37.3 . . 24 MET N 19361 1 19 . 1 1 27 27 ALA N N 15 853.0 26.9 . . 26 ALA N 19361 1 20 . 1 1 28 28 GLN N N 15 866.6 33.7 . . 27 GLN N 19361 1 21 . 1 1 29 29 GLN N N 15 807.4 29.3 . . 28 GLN N 19361 1 22 . 1 1 31 31 ARG N N 15 789.7 16.0 . . 30 ARG N 19361 1 23 . 1 1 32 32 HIS N N 15 781.2 32.4 . . 31 HIS N 19361 1 24 . 1 1 33 33 ARG N N 15 882.8 45.6 . . 32 ARG N 19361 1 25 . 1 1 34 34 GLY N N 15 840.4 51.2 . . 33 GLY N 19361 1 26 . 1 1 35 35 LEU N N 15 848.8 37.0 . . 34 LEU N 19361 1 27 . 1 1 36 36 GLY N N 15 798.9 38.0 . . 35 GLY N 19361 1 28 . 1 1 37 37 ASP N N 15 809.5 70.6 . . 36 ASP N 19361 1 29 . 1 1 38 38 ALA N N 15 862.9 33.0 . . 37 ALA N 19361 1 30 . 1 1 39 39 VAL N N 15 817.5 28.4 . . 38 VAL N 19361 1 31 . 1 1 40 40 ARG N N 15 842.6 19.9 . . 39 ARG N 19361 1 32 . 1 1 41 41 VAL N N 15 807.8 24.3 . . 40 VAL N 19361 1 33 . 1 1 42 42 THR N N 15 844.7 64.2 . . 41 THR N 19361 1 34 . 1 1 43 43 SER N N 15 795.6 34.1 . . 42 SER N 19361 1 35 . 1 1 44 44 ALA N N 15 790.8 33.0 . . 43 ALA N 19361 1 36 . 1 1 45 45 GLY N N 15 827.5 36.2 . . 44 GLY N 19361 1 37 . 1 1 46 46 THR N N 15 803.1 29.7 . . 45 THR N 19361 1 38 . 1 1 47 47 GLY N N 15 789.0 35.4 . . 46 GLY N 19361 1 39 . 1 1 48 48 ASN N N 15 780.6 72.2 . . 47 ASN N 19361 1 40 . 1 1 49 49 TRP N N 15 708.8 37.2 . . 48 TRP N 19361 1 41 . 1 1 50 50 HIS N N 15 771.7 51.8 . . 49 HIS N 19361 1 42 . 1 1 51 51 VAL N N 15 832.2 40.6 . . 50 VAL N 19361 1 43 . 1 1 52 52 GLY N N 15 814.0 20.7 . . 51 GLY N 19361 1 44 . 1 1 53 53 SER N N 15 785.5 46.0 . . 52 SER N 19361 1 45 . 1 1 54 54 CYS N N 15 886.6 65.6 . . 53 CYS N 19361 1 46 . 1 1 56 56 ASP N N 15 830.7 37.1 . . 55 ASP N 19361 1 47 . 1 1 57 57 GLU N N 15 744.2 49.4 . . 56 GLU N 19361 1 48 . 1 1 58 58 ARG N N 15 787.7 28.4 . . 57 ARG N 19361 1 49 . 1 1 59 59 ALA N N 15 841.6 36.2 . . 58 ALA N 19361 1 50 . 1 1 61 61 GLY N N 15 852.6 24.2 . . 60 GLY N 19361 1 51 . 1 1 62 62 VAL N N 15 767.2 13.5 . . 61 VAL N 19361 1 52 . 1 1 63 63 LEU N N 15 827.9 40.5 . . 62 LEU N 19361 1 53 . 1 1 64 64 ARG N N 15 796.3 23.8 . . 63 ARG N 19361 1 54 . 1 1 66 66 HIS N N 15 889.7 39.8 . . 65 HIS N 19361 1 55 . 1 1 67 67 GLY N N 15 842.1 23.5 . . 66 GLY N 19361 1 56 . 1 1 68 68 TYR N N 15 869.7 34.6 . . 67 TYR N 19361 1 57 . 1 1 70 70 THR N N 15 848.1 39.6 . . 69 THR N 19361 1 58 . 1 1 73 73 ARG N N 15 863.5 27.3 . . 72 ARG N 19361 1 59 . 1 1 74 74 ALA N N 15 857.5 27.3 . . 73 ALA N 19361 1 60 . 1 1 75 75 ALA N N 15 836.6 44.3 . . 74 ALA N 19361 1 61 . 1 1 76 76 GLN N N 15 795.5 18.7 . . 75 GLN N 19361 1 62 . 1 1 77 77 VAL N N 15 821.2 16.8 . . 76 VAL N 19361 1 63 . 1 1 78 78 GLY N N 15 846.1 55.1 . . 77 GLY N 19361 1 64 . 1 1 79 79 THR N N 15 815.5 58.1 . . 78 THR N 19361 1 65 . 1 1 80 80 GLU N N 15 780.1 68.9 . . 79 GLU N 19361 1 66 . 1 1 81 81 HIS N N 15 861.9 37.0 . . 80 HIS N 19361 1 67 . 1 1 82 82 LEU N N 15 785.9 24.5 . . 81 LEU N 19361 1 68 . 1 1 83 83 ALA N N 15 824.5 37.2 . . 82 ALA N 19361 1 69 . 1 1 84 84 ALA N N 15 868.2 21.2 . . 83 ALA N 19361 1 70 . 1 1 86 86 LEU N N 15 792.3 13.8 . . 85 LEU N 19361 1 71 . 1 1 87 87 LEU N N 15 782.6 34.4 . . 86 LEU N 19361 1 72 . 1 1 88 88 VAL N N 15 829.9 35.5 . . 87 VAL N 19361 1 73 . 1 1 89 89 ALA N N 15 784.6 33.6 . . 88 ALA N 19361 1 74 . 1 1 90 90 LEU N N 15 776.9 31.1 . . 89 LEU N 19361 1 75 . 1 1 91 91 ASP N N 15 899.4 106.0 . . 90 ASP N 19361 1 76 . 1 1 92 92 ARG N N 15 807.7 55.9 . . 91 ARG N 19361 1 77 . 1 1 93 93 ASN N N 15 759.7 23.1 . . 92 ASN N 19361 1 78 . 1 1 95 95 ALA N N 15 809.0 43.5 . . 94 ALA N 19361 1 79 . 1 1 96 96 ARG N N 15 873.9 35.5 . . 95 ARG N 19361 1 80 . 1 1 97 97 LEU N N 15 783.3 16.6 . . 96 LEU N 19361 1 81 . 1 1 98 98 LEU N N 15 832.1 21.6 . . 97 LEU N 19361 1 82 . 1 1 99 99 ARG N N 15 819.0 17.9 . . 98 ARG N 19361 1 83 . 1 1 100 100 GLN N N 15 799.7 10.0 . . 99 GLN N 19361 1 84 . 1 1 101 101 LEU N N 15 820.1 17.1 . . 100 LEU N 19361 1 85 . 1 1 102 102 GLY N N 15 835.4 27.6 . . 101 GLY N 19361 1 86 . 1 1 103 103 VAL N N 15 915.1 28.1 . . 102 VAL N 19361 1 87 . 1 1 104 104 GLU N N 15 852.8 27.6 . . 103 GLU N 19361 1 88 . 1 1 105 105 ALA N N 15 754.4 26.6 . . 104 ALA N 19361 1 89 . 1 1 106 106 ALA N N 15 795.2 51.5 . . 105 ALA N 19361 1 90 . 1 1 107 107 ARG N N 15 812.4 30.2 . . 106 ARG N 19361 1 91 . 1 1 108 108 VAL N N 15 816.3 19.7 . . 107 VAL N 19361 1 92 . 1 1 109 109 ARG N N 15 795.5 18.1 . . 108 ARG N 19361 1 93 . 1 1 110 110 MET N N 15 839.6 56.3 . . 109 MET N 19361 1 94 . 1 1 111 111 LEU N N 15 800.0 59.5 . . 110 LEU N 19361 1 95 . 1 1 112 112 ARG N N 15 801.8 54.0 . . 111 ARG N 19361 1 96 . 1 1 113 113 SER N N 15 965.7 40.5 . . 112 SER N 19361 1 97 . 1 1 114 114 PHE N N 15 819.2 40.2 . . 113 PHE N 19361 1 98 . 1 1 117 117 ARG N N 15 777.2 36.5 . . 116 ARG N 19361 1 99 . 1 1 118 118 SER N N 15 809.4 66.5 . . 117 SER N 19361 1 100 . 1 1 119 119 GLY N N 15 703.1 82.2 . . 118 GLY N 19361 1 101 . 1 1 122 122 ALA N N 15 801.2 69.9 . . 121 ALA N 19361 1 102 . 1 1 123 123 LEU N N 15 751.1 48.7 . . 122 LEU N 19361 1 103 . 1 1 124 124 ASP N N 15 853.5 37.3 . . 123 ASP N 19361 1 104 . 1 1 125 125 VAL N N 15 875.3 54.0 . . 124 VAL N 19361 1 105 . 1 1 126 126 GLU N N 15 798.7 20.0 . . 125 GLU N 19361 1 106 . 1 1 127 127 ASP N N 15 790.1 36.6 . . 126 ASP N 19361 1 107 . 1 1 129 129 TYR N N 15 838.9 29.2 . . 128 TYR N 19361 1 108 . 1 1 130 130 TYR N N 15 802.3 34.5 . . 129 TYR N 19361 1 109 . 1 1 131 131 GLY N N 15 906.3 44.3 . . 130 GLY N 19361 1 110 . 1 1 132 132 ASP N N 15 805.0 39.5 . . 131 ASP N 19361 1 111 . 1 1 134 134 SER N N 15 839.8 75.4 . . 133 SER N 19361 1 112 . 1 1 135 135 ASP N N 15 875.8 52.6 . . 134 ASP N 19361 1 113 . 1 1 136 136 PHE N N 15 838.9 63.9 . . 135 PHE N 19361 1 114 . 1 1 137 137 GLU N N 15 853.1 21.0 . . 136 GLU N 19361 1 115 . 1 1 138 138 GLU N N 15 809.7 22.2 . . 137 GLU N 19361 1 116 . 1 1 139 139 VAL N N 15 870.8 23.8 . . 138 VAL N 19361 1 117 . 1 1 140 140 PHE N N 15 884.1 34.4 . . 139 PHE N 19361 1 118 . 1 1 141 141 ALA N N 15 820.4 19.0 . . 140 ALA N 19361 1 119 . 1 1 142 142 VAL N N 15 868.3 44.9 . . 141 VAL N 19361 1 120 . 1 1 143 143 ILE N N 15 889.3 34.5 . . 142 ILE N 19361 1 121 . 1 1 144 144 GLU N N 15 856.2 22.4 . . 143 GLU N 19361 1 122 . 1 1 145 145 SER N N 15 890.8 36.0 . . 144 SER N 19361 1 123 . 1 1 146 146 ALA N N 15 771.7 23.1 . . 145 ALA N 19361 1 124 . 1 1 147 147 LEU N N 15 894.5 39.2 . . 146 LEU N 19361 1 125 . 1 1 149 149 GLY N N 15 891.8 28.3 . . 148 GLY N 19361 1 126 . 1 1 150 150 LEU N N 15 869.4 21.5 . . 149 LEU N 19361 1 127 . 1 1 151 151 HIS N N 15 870.8 13.9 . . 150 HIS N 19361 1 128 . 1 1 152 152 ASP N N 15 865.5 18.5 . . 151 ASP N 19361 1 129 . 1 1 155 155 ASP N N 15 853.2 44.0 . . 154 ASP N 19361 1 130 . 1 1 156 156 GLU N N 15 860.7 22.3 . . 155 GLU N 19361 1 131 . 1 1 157 157 ARG N N 15 875.9 35.3 . . 156 ARG N 19361 1 132 . 1 1 159 159 ALA N N 15 790.7 18.0 . . 158 ALA N 19361 1 133 . 1 1 160 160 ARG N N 15 756.2 41.4 . . 159 ARG N 19361 1 134 . 1 1 161 161 ASN N N 15 683.8 96.5 . . 160 ASN N 19361 1 135 . 1 1 162 162 GLY N N 15 813.5 88.6 . . 161 GLY N 19361 1 136 . 1 1 164 164 SER N N 15 1125.0 31.0 . . 163 SER N 19361 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 19361 _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 'not reported' _Heteronucl_T2_list.Temp_control_method 'not reported' _Heteronucl_T2_list.Spectrometer_frequency_1H 600 _Heteronucl_T2_list.T2_coherence_type 'not reported' _Heteronucl_T2_list.T2_val_units ms _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 5 'T2 measurement' . . . 19361 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 1 1 GLY N N 15 503.6 43.30 . . . . 0 GLY N 19361 1 2 . 1 1 2 2 MET N N 15 231.9 10.20 . . . . 1 MET N 19361 1 3 . 1 1 3 3 SER N N 15 277.0 17.70 . . . . 2 SER N 19361 1 4 . 1 1 4 4 ASP N N 15 114.7 3.52 . . . . 3 ASP N 19361 1 5 . 1 1 6 6 LEU N N 15 69.3 1.09 . . . . 5 LEU N 19361 1 6 . 1 1 7 7 HIS N N 15 81.7 2.40 . . . . 6 HIS N 19361 1 7 . 1 1 8 8 VAL N N 15 74.6 2.87 . . . . 7 VAL N 19361 1 8 . 1 1 9 9 THR N N 15 86.4 2.31 . . . . 8 THR N 19361 1 9 . 1 1 10 10 PHE N N 15 75.2 1.72 . . . . 9 PHE N 19361 1 10 . 1 1 11 11 VAL N N 15 81.2 1.86 . . . . 10 VAL N 19361 1 11 . 1 1 15 15 ASN N N 15 69.5 3.42 . . . . 14 ASN N 19361 1 12 . 1 1 21 21 MET N N 15 72.4 2.78 . . . . 20 MET N 19361 1 13 . 1 1 22 22 ALA N N 15 69.8 3.33 . . . . 21 ALA N 19361 1 14 . 1 1 23 23 GLU N N 15 65.2 2.03 . . . . 22 GLU N 19361 1 15 . 1 1 24 24 LYS N N 15 72.9 3.39 . . . . 23 LYS N 19361 1 16 . 1 1 25 25 MET N N 15 70.9 1.64 . . . . 24 MET N 19361 1 17 . 1 1 27 27 ALA N N 15 70.9 1.69 . . . . 26 ALA N 19361 1 18 . 1 1 28 28 GLN N N 15 68.9 1.96 . . . . 27 GLN N 19361 1 19 . 1 1 29 29 GLN N N 15 73.4 1.64 . . . . 28 GLN N 19361 1 20 . 1 1 31 31 ARG N N 15 70.5 1.28 . . . . 30 ARG N 19361 1 21 . 1 1 32 32 HIS N N 15 70.6 1.28 . . . . 31 HIS N 19361 1 22 . 1 1 33 33 ARG N N 15 79.3 1.88 . . . . 32 ARG N 19361 1 23 . 1 1 34 34 GLY N N 15 65.0 1.64 . . . . 33 GLY N 19361 1 24 . 1 1 35 35 LEU N N 15 71.8 1.55 . . . . 34 LEU N 19361 1 25 . 1 1 36 36 GLY N N 15 92.0 1.87 . . . . 35 GLY N 19361 1 26 . 1 1 37 37 ASP N N 15 81.8 1.84 . . . . 36 ASP N 19361 1 27 . 1 1 38 38 ALA N N 15 93.4 1.94 . . . . 37 ALA N 19361 1 28 . 1 1 39 39 VAL N N 15 75.6 1.39 . . . . 38 VAL N 19361 1 29 . 1 1 40 40 ARG N N 15 83.1 3.97 . . . . 39 ARG N 19361 1 30 . 1 1 41 41 VAL N N 15 70.5 2.54 . . . . 40 VAL N 19361 1 31 . 1 1 42 42 THR N N 15 76.5 3.19 . . . . 41 THR N 19361 1 32 . 1 1 43 43 SER N N 15 66.4 1.75 . . . . 42 SER N 19361 1 33 . 1 1 44 44 ALA N N 15 78.3 1.78 . . . . 43 ALA N 19361 1 34 . 1 1 45 45 GLY N N 15 66.8 3.02 . . . . 44 GLY N 19361 1 35 . 1 1 46 46 THR N N 15 70.6 2.72 . . . . 45 THR N 19361 1 36 . 1 1 47 47 GLY N N 15 78.4 1.71 . . . . 46 GLY N 19361 1 37 . 1 1 48 48 ASN N N 15 72.9 2.64 . . . . 47 ASN N 19361 1 38 . 1 1 49 49 TRP N N 15 76.8 4.49 . . . . 48 TRP N 19361 1 39 . 1 1 50 50 HIS N N 15 66.3 2.43 . . . . 49 HIS N 19361 1 40 . 1 1 51 51 VAL N N 15 82.0 1.73 . . . . 50 VAL N 19361 1 41 . 1 1 52 52 GLY N N 15 73.8 1.93 . . . . 51 GLY N 19361 1 42 . 1 1 53 53 SER N N 15 75.3 0.98 . . . . 52 SER N 19361 1 43 . 1 1 54 54 CYS N N 15 81.0 1.88 . . . . 53 CYS N 19361 1 44 . 1 1 56 56 ASP N N 15 77.0 1.92 . . . . 55 ASP N 19361 1 45 . 1 1 57 57 GLU N N 15 83.9 1.19 . . . . 56 GLU N 19361 1 46 . 1 1 58 58 ARG N N 15 76.3 2.42 . . . . 57 ARG N 19361 1 47 . 1 1 59 59 ALA N N 15 83.4 2.93 . . . . 58 ALA N 19361 1 48 . 1 1 60 60 ALA N N 15 79.6 1.49 . . . . 59 ALA N 19361 1 49 . 1 1 61 61 GLY N N 15 61.0 1.72 . . . . 60 GLY N 19361 1 50 . 1 1 62 62 VAL N N 15 64.7 1.48 . . . . 61 VAL N 19361 1 51 . 1 1 63 63 LEU N N 15 83.9 1.50 . . . . 62 LEU N 19361 1 52 . 1 1 64 64 ARG N N 15 77.5 1.30 . . . . 63 ARG N 19361 1 53 . 1 1 66 66 HIS N N 15 83.2 2.09 . . . . 65 HIS N 19361 1 54 . 1 1 67 67 GLY N N 15 56.4 1.54 . . . . 66 GLY N 19361 1 55 . 1 1 68 68 TYR N N 15 75.5 1.87 . . . . 67 TYR N 19361 1 56 . 1 1 70 70 THR N N 15 93.1 2.20 . . . . 69 THR N 19361 1 57 . 1 1 73 73 ARG N N 15 67.4 0.98 . . . . 72 ARG N 19361 1 58 . 1 1 74 74 ALA N N 15 75.8 1.45 . . . . 73 ALA N 19361 1 59 . 1 1 75 75 ALA N N 15 71.1 1.00 . . . . 74 ALA N 19361 1 60 . 1 1 76 76 GLN N N 15 56.6 3.96 . . . . 75 GLN N 19361 1 61 . 1 1 77 77 VAL N N 15 63.9 1.72 . . . . 76 VAL N 19361 1 62 . 1 1 78 78 GLY N N 15 88.3 3.12 . . . . 77 GLY N 19361 1 63 . 1 1 79 79 THR N N 15 74.2 1.17 . . . . 78 THR N 19361 1 64 . 1 1 80 80 GLU N N 15 70.6 1.30 . . . . 79 GLU N 19361 1 65 . 1 1 81 81 HIS N N 15 81.7 1.50 . . . . 80 HIS N 19361 1 66 . 1 1 82 82 LEU N N 15 72.6 1.50 . . . . 81 LEU N 19361 1 67 . 1 1 83 83 ALA N N 15 75.7 1.24 . . . . 82 ALA N 19361 1 68 . 1 1 84 84 ALA N N 15 70.6 1.15 . . . . 83 ALA N 19361 1 69 . 1 1 86 86 LEU N N 15 77.0 1.46 . . . . 85 LEU N 19361 1 70 . 1 1 87 87 LEU N N 15 66.6 3.44 . . . . 86 LEU N 19361 1 71 . 1 1 88 88 VAL N N 15 82.5 2.77 . . . . 87 VAL N 19361 1 72 . 1 1 89 89 ALA N N 15 83.3 2.51 . . . . 88 ALA N 19361 1 73 . 1 1 90 90 LEU N N 15 80.6 4.94 . . . . 89 LEU N 19361 1 74 . 1 1 92 92 ARG N N 15 68.6 3.09 . . . . 91 ARG N 19361 1 75 . 1 1 93 93 ASN N N 15 70.7 2.33 . . . . 92 ASN N 19361 1 76 . 1 1 95 95 ALA N N 15 80.8 6.18 . . . . 94 ALA N 19361 1 77 . 1 1 96 96 ARG N N 15 73.4 2.32 . . . . 95 ARG N 19361 1 78 . 1 1 97 97 LEU N N 15 74.6 1.91 . . . . 96 LEU N 19361 1 79 . 1 1 98 98 LEU N N 15 78.6 3.01 . . . . 97 LEU N 19361 1 80 . 1 1 99 99 ARG N N 15 73.2 1.04 . . . . 98 ARG N 19361 1 81 . 1 1 100 100 GLN N N 15 77.1 0.79 . . . . 99 GLN N 19361 1 82 . 1 1 101 101 LEU N N 15 84.2 1.94 . . . . 100 LEU N 19361 1 83 . 1 1 102 102 GLY N N 15 90.6 2.14 . . . . 101 GLY N 19361 1 84 . 1 1 103 103 VAL N N 15 72.4 1.01 . . . . 102 VAL N 19361 1 85 . 1 1 104 104 GLU N N 15 84.4 1.76 . . . . 103 GLU N 19361 1 86 . 1 1 105 105 ALA N N 15 71.5 2.22 . . . . 104 ALA N 19361 1 87 . 1 1 106 106 ALA N N 15 72.8 2.58 . . . . 105 ALA N 19361 1 88 . 1 1 107 107 ARG N N 15 77.2 1.65 . . . . 106 ARG N 19361 1 89 . 1 1 108 108 VAL N N 15 80.0 1.25 . . . . 107 VAL N 19361 1 90 . 1 1 109 109 ARG N N 15 66.7 1.68 . . . . 108 ARG N 19361 1 91 . 1 1 110 110 MET N N 15 84.3 3.27 . . . . 109 MET N 19361 1 92 . 1 1 111 111 LEU N N 15 70.7 1.23 . . . . 110 LEU N 19361 1 93 . 1 1 112 112 ARG N N 15 76.9 2.33 . . . . 111 ARG N 19361 1 94 . 1 1 113 113 SER N N 15 72.2 2.30 . . . . 112 SER N 19361 1 95 . 1 1 114 114 PHE N N 15 65.4 2.24 . . . . 113 PHE N 19361 1 96 . 1 1 117 117 ARG N N 15 75.1 2.39 . . . . 116 ARG N 19361 1 97 . 1 1 119 119 GLY N N 15 114.6 5.92 . . . . 118 GLY N 19361 1 98 . 1 1 123 123 LEU N N 15 84.2 1.59 . . . . 122 LEU N 19361 1 99 . 1 1 124 124 ASP N N 15 82.7 1.22 . . . . 123 ASP N 19361 1 100 . 1 1 125 125 VAL N N 15 96.6 3.04 . . . . 124 VAL N 19361 1 101 . 1 1 126 126 GLU N N 15 81.8 2.46 . . . . 125 GLU N 19361 1 102 . 1 1 127 127 ASP N N 15 69.6 3.72 . . . . 126 ASP N 19361 1 103 . 1 1 129 129 TYR N N 15 79.9 3.01 . . . . 128 TYR N 19361 1 104 . 1 1 130 130 TYR N N 15 71.8 1.16 . . . . 129 TYR N 19361 1 105 . 1 1 131 131 GLY N N 15 75.6 2.33 . . . . 130 GLY N 19361 1 106 . 1 1 132 132 ASP N N 15 78.6 3.35 . . . . 131 ASP N 19361 1 107 . 1 1 134 134 SER N N 15 69.0 1.32 . . . . 133 SER N 19361 1 108 . 1 1 135 135 ASP N N 15 63.7 1.90 . . . . 134 ASP N 19361 1 109 . 1 1 136 136 PHE N N 15 68.6 2.38 . . . . 135 PHE N 19361 1 110 . 1 1 137 137 GLU N N 15 71.1 1.58 . . . . 136 GLU N 19361 1 111 . 1 1 138 138 GLU N N 15 76.8 1.11 . . . . 137 GLU N 19361 1 112 . 1 1 139 139 VAL N N 15 73.6 1.25 . . . . 138 VAL N 19361 1 113 . 1 1 140 140 PHE N N 15 60.5 1.79 . . . . 139 PHE N 19361 1 114 . 1 1 141 141 ALA N N 15 68.7 1.85 . . . . 140 ALA N 19361 1 115 . 1 1 142 142 VAL N N 15 69.6 3.07 . . . . 141 VAL N 19361 1 116 . 1 1 143 143 ILE N N 15 72.9 1.98 . . . . 142 ILE N 19361 1 117 . 1 1 144 144 GLU N N 15 71.0 3.55 . . . . 143 GLU N 19361 1 118 . 1 1 145 145 SER N N 15 74.0 1.15 . . . . 144 SER N 19361 1 119 . 1 1 146 146 ALA N N 15 53.5 1.74 . . . . 145 ALA N 19361 1 120 . 1 1 147 147 LEU N N 15 73.3 1.19 . . . . 146 LEU N 19361 1 121 . 1 1 149 149 GLY N N 15 71.2 3.46 . . . . 148 GLY N 19361 1 122 . 1 1 150 150 LEU N N 15 68.5 2.10 . . . . 149 LEU N 19361 1 123 . 1 1 151 151 HIS N N 15 72.0 1.33 . . . . 150 HIS N 19361 1 124 . 1 1 152 152 ASP N N 15 68.3 1.17 . . . . 151 ASP N 19361 1 125 . 1 1 154 154 VAL N N 15 83.8 2.44 . . . . 153 VAL N 19361 1 126 . 1 1 155 155 ASP N N 15 66.9 2.07 . . . . 154 ASP N 19361 1 127 . 1 1 156 156 GLU N N 15 68.9 1.51 . . . . 155 GLU N 19361 1 128 . 1 1 157 157 ARG N N 15 75.3 1.51 . . . . 156 ARG N 19361 1 129 . 1 1 159 159 ALA N N 15 85.7 2.82 . . . . 158 ALA N 19361 1 130 . 1 1 160 160 ARG N N 15 102.4 1.52 . . . . 159 ARG N 19361 1 131 . 1 1 161 161 ASN N N 15 172.8 3.49 . . . . 160 ASN N 19361 1 132 . 1 1 162 162 GLY N N 15 332.9 12.30 . . . . 161 GLY N 19361 1 133 . 1 1 164 164 SER N N 15 525.3 18.10 . . . . 163 SER N 19361 1 stop_ save_