data_25015 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25015 _Entry.Title ; holo_FldA_dynamics ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-06-12 _Entry.Accession_date 2014-06-12 _Entry.Last_release_date 2014-09-18 _Entry.Original_release_date 2014-09-18 _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 Changwen Jin . . . 25015 2 Qian Ye . . . 25015 3 Yunfei Hu . . . 25015 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID heteronucl_NOEs 1 25015 heteronucl_T1_relaxation 1 25015 heteronucl_T2_relaxation 1 25015 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID 'heteronuclear NOE values' 163 25015 'T1 relaxation values' 163 25015 'T2 relaxation values' 163 25015 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 . . 2014-09-18 2014-06-12 original author . 25015 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25013 'apo YqcA' 25015 BMRB 25014 'holo YqcA' 25015 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 25015 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1371/journal.pone.0103936 _Citation.PubMed_ID 25093851 _Citation.Full_citation . _Citation.Title 'Conformational Dynamics of Escherichia coli Flavodoxins in Apo- and Holo-States by Solution NMR Spectroscopy.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'PLoS ONE' _Citation.Journal_name_full 'PloS one' _Citation.Journal_volume 9 _Citation.Journal_issue 8 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1932-6203 _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 e103936 _Citation.Page_last e103936 _Citation.Year 2014 _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 Qian Ye Q. . . 25015 1 2 Yunfei Hu Y. . . 25015 1 3 Changwen Jin C. . . 25015 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25015 _Assembly.ID 1 _Assembly.Name 'holo FldA' _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 FldA 1 $entity A . yes native no no . . . 25015 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25015 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _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 ; MAITGIFFGSDTGNTENIAK MIQKQLGKDVADVHDIAKSS KEDLEAYDILLLGIPTWYYG EAQCDWDDFFPTLEEIDFNG KLVALFGCGDQEDYAEYFCD ALGTIRDIIEPRGATIVGHW PTAGYHFEASKGLADDDHFV GLAIDEDRQPELTAERVEKW VKQISEELHLDEILNA ; _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 176 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _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 19945 . entity_1 . . . . . 100.00 176 100.00 100.00 1.90e-124 . . . . 25015 1 2 no PDB 1AG9 . "Flavodoxins That Are Required For Enzyme Activation: The Structure Of Oxidized Flavodoxin From Escherichia Coli At 1.8 Angstrom" . . . . . 99.43 175 100.00 100.00 1.65e-123 . . . . 25015 1 3 no PDB 1AHN . "E. Coli Flavodoxin At 2.6 Angstroms Resolution" . . . . . 99.43 175 100.00 100.00 1.65e-123 . . . . 25015 1 4 no PDB 2MOK . Holo_flda . . . . . 100.00 176 100.00 100.00 1.90e-124 . . . . 25015 1 5 no DBJ BAA35333 . "flavodoxin 1 [Escherichia coli str. K12 substr. W3110]" . . . . . 100.00 176 100.00 100.00 1.90e-124 . . . . 25015 1 6 no DBJ BAB34138 . "flavodoxin 1 [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 176 100.00 100.00 1.90e-124 . . . . 25015 1 7 no DBJ BAG76270 . "flavodoxin [Escherichia coli SE11]" . . . . . 100.00 176 100.00 100.00 1.90e-124 . . . . 25015 1 8 no DBJ BAI24076 . "flavodoxin 1 [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 176 100.00 100.00 1.90e-124 . . . . 25015 1 9 no DBJ BAI29544 . "flavodoxin 1 [Escherichia coli O103:H2 str. 12009]" . . . . . 100.00 176 100.00 100.00 1.90e-124 . . . . 25015 1 10 no EMBL CAD05157 . "flavodoxin 1 [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 100.00 176 97.16 98.30 3.95e-121 . . . . 25015 1 11 no EMBL CAP75173 . "Flavodoxin-1 [Escherichia coli LF82]" . . . . . 100.00 176 100.00 100.00 1.90e-124 . . . . 25015 1 12 no EMBL CAQ31149 . "flavodoxin 1 [Escherichia coli BL21(DE3)]" . . . . . 100.00 176 100.00 100.00 1.90e-124 . . . . 25015 1 13 no EMBL CAQ89923 . "flavodoxin 1 [Escherichia fergusonii ATCC 35469]" . . . . . 100.00 176 100.00 100.00 1.90e-124 . . . . 25015 1 14 no EMBL CAQ97531 . "flavodoxin 1 [Escherichia coli IAI1]" . . . . . 100.00 176 100.00 100.00 1.90e-124 . . . . 25015 1 15 no GB AAA23789 . "flavodoxin [Escherichia coli]" . . . . . 100.00 176 100.00 100.00 1.90e-124 . . . . 25015 1 16 no GB AAC73778 . "flavodoxin 1 [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 176 100.00 100.00 1.90e-124 . . . . 25015 1 17 no GB AAG55007 . "flavodoxin 1 [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 176 100.00 100.00 1.90e-124 . . . . 25015 1 18 no GB AAL19638 . "flavodoxin 1 [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 100.00 176 97.73 98.86 2.84e-122 . . . . 25015 1 19 no GB AAN79244 . "Flavodoxin 1 [Escherichia coli CFT073]" . . . . . 100.00 215 100.00 100.00 2.22e-123 . . . . 25015 1 20 no PIR AC0586 . "flavodoxin 1 [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" . . . . . 100.00 176 97.16 98.30 3.95e-121 . . . . 25015 1 21 no REF NP_308742 . "flavodoxin FldA [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 176 100.00 100.00 1.90e-124 . . . . 25015 1 22 no REF NP_415210 . "flavodoxin 1 [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 176 100.00 100.00 1.90e-124 . . . . 25015 1 23 no REF NP_455255 . "flavodoxin 1 [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 100.00 176 97.16 98.30 3.95e-121 . . . . 25015 1 24 no REF NP_459679 . "flavodoxin [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 100.00 176 97.73 98.86 2.84e-122 . . . . 25015 1 25 no REF WP_000321745 . "flavodoxin FldA, partial [Escherichia coli]" . . . . . 81.82 144 100.00 100.00 1.28e-99 . . . . 25015 1 26 no SP P61949 . "RecName: Full=Flavodoxin-1" . . . . . 100.00 176 100.00 100.00 1.90e-124 . . . . 25015 1 27 no SP P61950 . "RecName: Full=Flavodoxin-1" . . . . . 100.00 176 100.00 100.00 1.90e-124 . . . . 25015 1 28 no SP P61951 . "RecName: Full=Flavodoxin-1" . . . . . 100.00 176 100.00 100.00 1.90e-124 . . . . 25015 1 29 no SP Q8ZQX1 . "RecName: Full=Flavodoxin-1" . . . . . 100.00 176 97.73 98.86 2.84e-122 . . . . 25015 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 25015 1 2 2 ALA . 25015 1 3 3 ILE . 25015 1 4 4 THR . 25015 1 5 5 GLY . 25015 1 6 6 ILE . 25015 1 7 7 PHE . 25015 1 8 8 PHE . 25015 1 9 9 GLY . 25015 1 10 10 SER . 25015 1 11 11 ASP . 25015 1 12 12 THR . 25015 1 13 13 GLY . 25015 1 14 14 ASN . 25015 1 15 15 THR . 25015 1 16 16 GLU . 25015 1 17 17 ASN . 25015 1 18 18 ILE . 25015 1 19 19 ALA . 25015 1 20 20 LYS . 25015 1 21 21 MET . 25015 1 22 22 ILE . 25015 1 23 23 GLN . 25015 1 24 24 LYS . 25015 1 25 25 GLN . 25015 1 26 26 LEU . 25015 1 27 27 GLY . 25015 1 28 28 LYS . 25015 1 29 29 ASP . 25015 1 30 30 VAL . 25015 1 31 31 ALA . 25015 1 32 32 ASP . 25015 1 33 33 VAL . 25015 1 34 34 HIS . 25015 1 35 35 ASP . 25015 1 36 36 ILE . 25015 1 37 37 ALA . 25015 1 38 38 LYS . 25015 1 39 39 SER . 25015 1 40 40 SER . 25015 1 41 41 LYS . 25015 1 42 42 GLU . 25015 1 43 43 ASP . 25015 1 44 44 LEU . 25015 1 45 45 GLU . 25015 1 46 46 ALA . 25015 1 47 47 TYR . 25015 1 48 48 ASP . 25015 1 49 49 ILE . 25015 1 50 50 LEU . 25015 1 51 51 LEU . 25015 1 52 52 LEU . 25015 1 53 53 GLY . 25015 1 54 54 ILE . 25015 1 55 55 PRO . 25015 1 56 56 THR . 25015 1 57 57 TRP . 25015 1 58 58 TYR . 25015 1 59 59 TYR . 25015 1 60 60 GLY . 25015 1 61 61 GLU . 25015 1 62 62 ALA . 25015 1 63 63 GLN . 25015 1 64 64 CYS . 25015 1 65 65 ASP . 25015 1 66 66 TRP . 25015 1 67 67 ASP . 25015 1 68 68 ASP . 25015 1 69 69 PHE . 25015 1 70 70 PHE . 25015 1 71 71 PRO . 25015 1 72 72 THR . 25015 1 73 73 LEU . 25015 1 74 74 GLU . 25015 1 75 75 GLU . 25015 1 76 76 ILE . 25015 1 77 77 ASP . 25015 1 78 78 PHE . 25015 1 79 79 ASN . 25015 1 80 80 GLY . 25015 1 81 81 LYS . 25015 1 82 82 LEU . 25015 1 83 83 VAL . 25015 1 84 84 ALA . 25015 1 85 85 LEU . 25015 1 86 86 PHE . 25015 1 87 87 GLY . 25015 1 88 88 CYS . 25015 1 89 89 GLY . 25015 1 90 90 ASP . 25015 1 91 91 GLN . 25015 1 92 92 GLU . 25015 1 93 93 ASP . 25015 1 94 94 TYR . 25015 1 95 95 ALA . 25015 1 96 96 GLU . 25015 1 97 97 TYR . 25015 1 98 98 PHE . 25015 1 99 99 CYS . 25015 1 100 100 ASP . 25015 1 101 101 ALA . 25015 1 102 102 LEU . 25015 1 103 103 GLY . 25015 1 104 104 THR . 25015 1 105 105 ILE . 25015 1 106 106 ARG . 25015 1 107 107 ASP . 25015 1 108 108 ILE . 25015 1 109 109 ILE . 25015 1 110 110 GLU . 25015 1 111 111 PRO . 25015 1 112 112 ARG . 25015 1 113 113 GLY . 25015 1 114 114 ALA . 25015 1 115 115 THR . 25015 1 116 116 ILE . 25015 1 117 117 VAL . 25015 1 118 118 GLY . 25015 1 119 119 HIS . 25015 1 120 120 TRP . 25015 1 121 121 PRO . 25015 1 122 122 THR . 25015 1 123 123 ALA . 25015 1 124 124 GLY . 25015 1 125 125 TYR . 25015 1 126 126 HIS . 25015 1 127 127 PHE . 25015 1 128 128 GLU . 25015 1 129 129 ALA . 25015 1 130 130 SER . 25015 1 131 131 LYS . 25015 1 132 132 GLY . 25015 1 133 133 LEU . 25015 1 134 134 ALA . 25015 1 135 135 ASP . 25015 1 136 136 ASP . 25015 1 137 137 ASP . 25015 1 138 138 HIS . 25015 1 139 139 PHE . 25015 1 140 140 VAL . 25015 1 141 141 GLY . 25015 1 142 142 LEU . 25015 1 143 143 ALA . 25015 1 144 144 ILE . 25015 1 145 145 ASP . 25015 1 146 146 GLU . 25015 1 147 147 ASP . 25015 1 148 148 ARG . 25015 1 149 149 GLN . 25015 1 150 150 PRO . 25015 1 151 151 GLU . 25015 1 152 152 LEU . 25015 1 153 153 THR . 25015 1 154 154 ALA . 25015 1 155 155 GLU . 25015 1 156 156 ARG . 25015 1 157 157 VAL . 25015 1 158 158 GLU . 25015 1 159 159 LYS . 25015 1 160 160 TRP . 25015 1 161 161 VAL . 25015 1 162 162 LYS . 25015 1 163 163 GLN . 25015 1 164 164 ILE . 25015 1 165 165 SER . 25015 1 166 166 GLU . 25015 1 167 167 GLU . 25015 1 168 168 LEU . 25015 1 169 169 HIS . 25015 1 170 170 LEU . 25015 1 171 171 ASP . 25015 1 172 172 GLU . 25015 1 173 173 ILE . 25015 1 174 174 LEU . 25015 1 175 175 ASN . 25015 1 176 176 ALA . 25015 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 25015 1 . ALA 2 2 25015 1 . ILE 3 3 25015 1 . THR 4 4 25015 1 . GLY 5 5 25015 1 . ILE 6 6 25015 1 . PHE 7 7 25015 1 . PHE 8 8 25015 1 . GLY 9 9 25015 1 . SER 10 10 25015 1 . ASP 11 11 25015 1 . THR 12 12 25015 1 . GLY 13 13 25015 1 . ASN 14 14 25015 1 . THR 15 15 25015 1 . GLU 16 16 25015 1 . ASN 17 17 25015 1 . ILE 18 18 25015 1 . ALA 19 19 25015 1 . LYS 20 20 25015 1 . MET 21 21 25015 1 . ILE 22 22 25015 1 . GLN 23 23 25015 1 . LYS 24 24 25015 1 . GLN 25 25 25015 1 . LEU 26 26 25015 1 . GLY 27 27 25015 1 . LYS 28 28 25015 1 . ASP 29 29 25015 1 . VAL 30 30 25015 1 . ALA 31 31 25015 1 . ASP 32 32 25015 1 . VAL 33 33 25015 1 . HIS 34 34 25015 1 . ASP 35 35 25015 1 . ILE 36 36 25015 1 . ALA 37 37 25015 1 . LYS 38 38 25015 1 . SER 39 39 25015 1 . SER 40 40 25015 1 . LYS 41 41 25015 1 . GLU 42 42 25015 1 . ASP 43 43 25015 1 . LEU 44 44 25015 1 . GLU 45 45 25015 1 . ALA 46 46 25015 1 . TYR 47 47 25015 1 . ASP 48 48 25015 1 . ILE 49 49 25015 1 . LEU 50 50 25015 1 . LEU 51 51 25015 1 . LEU 52 52 25015 1 . GLY 53 53 25015 1 . ILE 54 54 25015 1 . PRO 55 55 25015 1 . THR 56 56 25015 1 . TRP 57 57 25015 1 . TYR 58 58 25015 1 . TYR 59 59 25015 1 . GLY 60 60 25015 1 . GLU 61 61 25015 1 . ALA 62 62 25015 1 . GLN 63 63 25015 1 . CYS 64 64 25015 1 . ASP 65 65 25015 1 . TRP 66 66 25015 1 . ASP 67 67 25015 1 . ASP 68 68 25015 1 . PHE 69 69 25015 1 . PHE 70 70 25015 1 . PRO 71 71 25015 1 . THR 72 72 25015 1 . LEU 73 73 25015 1 . GLU 74 74 25015 1 . GLU 75 75 25015 1 . ILE 76 76 25015 1 . ASP 77 77 25015 1 . PHE 78 78 25015 1 . ASN 79 79 25015 1 . GLY 80 80 25015 1 . LYS 81 81 25015 1 . LEU 82 82 25015 1 . VAL 83 83 25015 1 . ALA 84 84 25015 1 . LEU 85 85 25015 1 . PHE 86 86 25015 1 . GLY 87 87 25015 1 . CYS 88 88 25015 1 . GLY 89 89 25015 1 . ASP 90 90 25015 1 . GLN 91 91 25015 1 . GLU 92 92 25015 1 . ASP 93 93 25015 1 . TYR 94 94 25015 1 . ALA 95 95 25015 1 . GLU 96 96 25015 1 . TYR 97 97 25015 1 . PHE 98 98 25015 1 . CYS 99 99 25015 1 . ASP 100 100 25015 1 . ALA 101 101 25015 1 . LEU 102 102 25015 1 . GLY 103 103 25015 1 . THR 104 104 25015 1 . ILE 105 105 25015 1 . ARG 106 106 25015 1 . ASP 107 107 25015 1 . ILE 108 108 25015 1 . ILE 109 109 25015 1 . GLU 110 110 25015 1 . PRO 111 111 25015 1 . ARG 112 112 25015 1 . GLY 113 113 25015 1 . ALA 114 114 25015 1 . THR 115 115 25015 1 . ILE 116 116 25015 1 . VAL 117 117 25015 1 . GLY 118 118 25015 1 . HIS 119 119 25015 1 . TRP 120 120 25015 1 . PRO 121 121 25015 1 . THR 122 122 25015 1 . ALA 123 123 25015 1 . GLY 124 124 25015 1 . TYR 125 125 25015 1 . HIS 126 126 25015 1 . PHE 127 127 25015 1 . GLU 128 128 25015 1 . ALA 129 129 25015 1 . SER 130 130 25015 1 . LYS 131 131 25015 1 . GLY 132 132 25015 1 . LEU 133 133 25015 1 . ALA 134 134 25015 1 . ASP 135 135 25015 1 . ASP 136 136 25015 1 . ASP 137 137 25015 1 . HIS 138 138 25015 1 . PHE 139 139 25015 1 . VAL 140 140 25015 1 . GLY 141 141 25015 1 . LEU 142 142 25015 1 . ALA 143 143 25015 1 . ILE 144 144 25015 1 . ASP 145 145 25015 1 . GLU 146 146 25015 1 . ASP 147 147 25015 1 . ARG 148 148 25015 1 . GLN 149 149 25015 1 . PRO 150 150 25015 1 . GLU 151 151 25015 1 . LEU 152 152 25015 1 . THR 153 153 25015 1 . ALA 154 154 25015 1 . GLU 155 155 25015 1 . ARG 156 156 25015 1 . VAL 157 157 25015 1 . GLU 158 158 25015 1 . LYS 159 159 25015 1 . TRP 160 160 25015 1 . VAL 161 161 25015 1 . LYS 162 162 25015 1 . GLN 163 163 25015 1 . ILE 164 164 25015 1 . SER 165 165 25015 1 . GLU 166 166 25015 1 . GLU 167 167 25015 1 . LEU 168 168 25015 1 . HIS 169 169 25015 1 . LEU 170 170 25015 1 . ASP 171 171 25015 1 . GLU 172 172 25015 1 . ILE 173 173 25015 1 . LEU 174 174 25015 1 . ASN 175 175 25015 1 . ALA 176 176 25015 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 25015 _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 $entity . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 25015 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 25015 _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 $entity . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli . . . . . . . . . . . . . . . . pET21a(+) . . . . . . 25015 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25015 _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 'holo FldA' [U-15N] . . 1 $entity . . 1 . . mM . . . . 25015 1 2 DTT 'natural abundance' . . . . . . 20 . . mM . . . . 25015 1 3 'sodium phosphate' 'natural abundance' . . . . . . 30 . . mM . . . . 25015 1 4 'sodium chloride' 'natural abundance' . . . . . . 30 . . mM . . . . 25015 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25015 1 6 D20 'natural abundance' . . . . . . 10 . . % . . . . 25015 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 25015 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID temperature 298 . K 25015 1 pH 7.0 . pH 25015 1 pressure 1 . atm 25015 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25015 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25015 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25015 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 25015 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 25015 _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 . 800 . . . 25015 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 25015 _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 . . . . . . . . . . . . . . . . 25015 1 2 'T1 measurement' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25015 1 3 'T2 measurement' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25015 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 25015 _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 800.13 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 1 _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' . . . 25015 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 3 3 ILE N N 15 . 1 1 3 3 ILE H H 1 0.672464252 0.0336232148 . . 1 3 ILE N 1 3 ILE H 25015 1 2 . 1 1 4 4 THR N N 15 . 1 1 4 4 THR H H 1 0.804373503 0.0402186774 . . 1 4 THR N 1 4 THR H 25015 1 3 . 1 1 5 5 GLY N N 15 . 1 1 5 5 GLY H H 1 0.860738873 0.0430369452 . . 1 5 GLY N 1 5 GLY H 25015 1 4 . 1 1 6 6 ILE N N 15 . 1 1 6 6 ILE H H 1 0.866764009 0.0433382019 . . 1 6 ILE N 1 6 ILE H 25015 1 5 . 1 1 7 7 PHE N N 15 . 1 1 7 7 PHE H H 1 0.883181751 0.0441590883 . . 1 7 PHE N 1 7 PHE H 25015 1 6 . 1 1 8 8 PHE N N 15 . 1 1 8 8 PHE H H 1 0.854283452 0.0427141748 . . 1 8 PHE N 1 8 PHE H 25015 1 7 . 1 1 9 9 GLY N N 15 . 1 1 9 9 GLY H H 1 0.920168042 0.0460084043 . . 1 9 GLY N 1 9 GLY H 25015 1 8 . 1 1 10 10 SER N N 15 . 1 1 10 10 SER H H 1 0.899646401 0.0449823216 . . 1 10 SER N 1 10 SER H 25015 1 9 . 1 1 11 11 ASP N N 15 . 1 1 11 11 ASP H H 1 0.877703488 0.0438851751 . . 1 11 ASP N 1 11 ASP H 25015 1 10 . 1 1 12 12 THR N N 15 . 1 1 12 12 THR H H 1 0.852844298 0.0426422171 . . 1 12 THR N 1 12 THR H 25015 1 11 . 1 1 13 13 GLY N N 15 . 1 1 13 13 GLY H H 1 0.864515007 0.0432257503 . . 1 13 GLY N 1 13 GLY H 25015 1 12 . 1 1 14 14 ASN N N 15 . 1 1 14 14 ASN H H 1 0.876125038 0.0438062511 . . 1 14 ASN N 1 14 ASN H 25015 1 13 . 1 1 15 15 THR N N 15 . 1 1 15 15 THR H H 1 0.929227948 0.0464613996 . . 1 15 THR N 1 15 THR H 25015 1 14 . 1 1 16 16 GLU N N 15 . 1 1 16 16 GLU H H 1 0.871315002 0.0435657501 . . 1 16 GLU N 1 16 GLU H 25015 1 15 . 1 1 17 17 ASN N N 15 . 1 1 17 17 ASN H H 1 0.810904682 0.0405452363 . . 1 17 ASN N 1 17 ASN H 25015 1 16 . 1 1 18 18 ILE N N 15 . 1 1 18 18 ILE H H 1 0.870443523 0.0435221754 . . 1 18 ILE N 1 18 ILE H 25015 1 17 . 1 1 19 19 ALA N N 15 . 1 1 19 19 ALA H H 1 0.82533741 0.0412668698 . . 1 19 ALA N 1 19 ALA H 25015 1 18 . 1 1 20 20 LYS N N 15 . 1 1 20 20 LYS H H 1 0.862434626 0.0431217328 . . 1 20 LYS N 1 20 LYS H 25015 1 19 . 1 1 21 21 MET N N 15 . 1 1 21 21 MET H H 1 0.868791461 0.0434395745 . . 1 21 MET N 1 21 MET H 25015 1 20 . 1 1 22 22 ILE N N 15 . 1 1 22 22 ILE H H 1 0.831852794 0.0415926389 . . 1 22 ILE N 1 22 ILE H 25015 1 21 . 1 1 23 23 GLN N N 15 . 1 1 23 23 GLN H H 1 0.85940069 0.0429700352 . . 1 23 GLN N 1 23 GLN H 25015 1 22 . 1 1 24 24 LYS N N 15 . 1 1 24 24 LYS H H 1 0.82317549 0.0411587767 . . 1 24 LYS N 1 24 LYS H 25015 1 23 . 1 1 25 25 GLN N N 15 . 1 1 25 25 GLN H H 1 0.857402503 0.0428701267 . . 1 25 GLN N 1 25 GLN H 25015 1 24 . 1 1 26 26 LEU N N 15 . 1 1 26 26 LEU H H 1 0.879380167 0.0439690091 . . 1 26 LEU N 1 26 LEU H 25015 1 25 . 1 1 28 28 LYS N N 15 . 1 1 28 28 LYS H H 1 0.74595499 0.0372977518 . . 1 28 LYS N 1 28 LYS H 25015 1 26 . 1 1 29 29 ASP N N 15 . 1 1 29 29 ASP H H 1 0.791659355 0.0395829678 . . 1 29 ASP N 1 29 ASP H 25015 1 27 . 1 1 30 30 VAL N N 15 . 1 1 30 30 VAL H H 1 0.841513097 0.0420756564 . . 1 30 VAL N 1 30 VAL H 25015 1 28 . 1 1 31 31 ALA N N 15 . 1 1 31 31 ALA H H 1 0.853882313 0.0426941179 . . 1 31 ALA N 1 31 ALA H 25015 1 29 . 1 1 32 32 ASP N N 15 . 1 1 32 32 ASP H H 1 0.83800143 0.0419000722 . . 1 32 ASP N 1 32 ASP H 25015 1 30 . 1 1 33 33 VAL N N 15 . 1 1 33 33 VAL H H 1 0.847066343 0.0423533171 . . 1 33 VAL N 1 33 VAL H 25015 1 31 . 1 1 34 34 HIS N N 15 . 1 1 34 34 HIS H H 1 0.884574234 0.044228714 . . 1 34 HIS N 1 34 HIS H 25015 1 32 . 1 1 35 35 ASP N N 15 . 1 1 35 35 ASP H H 1 0.855373144 0.0427686572 . . 1 35 ASP N 1 35 ASP H 25015 1 33 . 1 1 36 36 ILE N N 15 . 1 1 36 36 ILE H H 1 0.907021701 0.0453510843 . . 1 36 ILE N 1 36 ILE H 25015 1 34 . 1 1 37 37 ALA N N 15 . 1 1 37 37 ALA H H 1 0.828247011 0.0414123498 . . 1 37 ALA N 1 37 ALA H 25015 1 35 . 1 1 38 38 LYS N N 15 . 1 1 38 38 LYS H H 1 0.85788691 0.0428943448 . . 1 38 LYS N 1 38 LYS H 25015 1 36 . 1 1 39 39 SER N N 15 . 1 1 39 39 SER H H 1 0.807467401 0.0403733701 . . 1 39 SER N 1 39 SER H 25015 1 37 . 1 1 40 40 SER N N 15 . 1 1 40 40 SER H H 1 0.882531047 0.0441265516 . . 1 40 SER N 1 40 SER H 25015 1 38 . 1 1 41 41 LYS N N 15 . 1 1 41 41 LYS H H 1 0.827514887 0.0413757451 . . 1 41 LYS N 1 41 LYS H 25015 1 39 . 1 1 42 42 GLU N N 15 . 1 1 42 42 GLU H H 1 0.876464427 0.0438232236 . . 1 42 GLU N 1 42 GLU H 25015 1 40 . 1 1 44 44 LEU N N 15 . 1 1 44 44 LEU H H 1 0.85089463 0.0425447337 . . 1 44 LEU N 1 44 LEU H 25015 1 41 . 1 1 45 45 GLU N N 15 . 1 1 45 45 GLU H H 1 0.901562274 0.0450781137 . . 1 45 GLU N 1 45 GLU H 25015 1 42 . 1 1 46 46 ALA N N 15 . 1 1 46 46 ALA H H 1 0.836706996 0.0418353491 . . 1 46 ALA N 1 46 ALA H 25015 1 43 . 1 1 47 47 TYR N N 15 . 1 1 47 47 TYR H H 1 0.831379533 0.0415689759 . . 1 47 TYR N 1 47 TYR H 25015 1 44 . 1 1 48 48 ASP N N 15 . 1 1 48 48 ASP H H 1 0.797822475 0.0398911238 . . 1 48 ASP N 1 48 ASP H 25015 1 45 . 1 1 49 49 ILE N N 15 . 1 1 49 49 ILE H H 1 0.844775736 0.0422387868 . . 1 49 ILE N 1 49 ILE H 25015 1 46 . 1 1 50 50 LEU N N 15 . 1 1 50 50 LEU H H 1 0.849035025 0.0424517505 . . 1 50 LEU N 1 50 LEU H 25015 1 47 . 1 1 51 51 LEU N N 15 . 1 1 51 51 LEU H H 1 0.885283113 0.0442641564 . . 1 51 LEU N 1 51 LEU H 25015 1 48 . 1 1 52 52 LEU N N 15 . 1 1 52 52 LEU H H 1 0.84877193 0.0424385965 . . 1 52 LEU N 1 52 LEU H 25015 1 49 . 1 1 53 53 GLY N N 15 . 1 1 53 53 GLY H H 1 0.828880131 0.0414440073 . . 1 53 GLY N 1 53 GLY H 25015 1 50 . 1 1 54 54 ILE N N 15 . 1 1 54 54 ILE H H 1 0.872488558 0.0436244272 . . 1 54 ILE N 1 54 ILE H 25015 1 51 . 1 1 56 56 THR N N 15 . 1 1 56 56 THR H H 1 0.872471809 0.0436235927 . . 1 56 THR N 1 56 THR H 25015 1 52 . 1 1 57 57 TRP N N 15 . 1 1 57 57 TRP H H 1 1.01742256 0.0508711301 . . 1 57 TRP N 1 57 TRP H 25015 1 53 . 1 1 59 59 TYR N N 15 . 1 1 59 59 TYR H H 1 0.797903776 0.0398951881 . . 1 59 TYR N 1 59 TYR H 25015 1 54 . 1 1 60 60 GLY N N 15 . 1 1 60 60 GLY H H 1 0.833524406 0.0416762196 . . 1 60 GLY N 1 60 GLY H 25015 1 55 . 1 1 61 61 GLU N N 15 . 1 1 61 61 GLU H H 1 0.849865973 0.0424932986 . . 1 61 GLU N 1 61 GLU H 25015 1 56 . 1 1 62 62 ALA N N 15 . 1 1 62 62 ALA H H 1 0.811430395 0.040571522 . . 1 62 ALA N 1 62 ALA H 25015 1 57 . 1 1 63 63 GLN N N 15 . 1 1 63 63 GLN H H 1 0.786988914 0.0393494479 . . 1 63 GLN N 1 63 GLN H 25015 1 58 . 1 1 64 64 CYS N N 15 . 1 1 64 64 CYS H H 1 0.903718293 0.0451859161 . . 1 64 CYS N 1 64 CYS H 25015 1 59 . 1 1 65 65 ASP N N 15 . 1 1 65 65 ASP H H 1 0.847813845 0.042390693 . . 1 65 ASP N 1 65 ASP H 25015 1 60 . 1 1 66 66 TRP N N 15 . 1 1 66 66 TRP H H 1 0.870260775 0.043513041 . . 1 66 TRP N 1 66 TRP H 25015 1 61 . 1 1 67 67 ASP N N 15 . 1 1 67 67 ASP H H 1 0.875036657 0.0437518321 . . 1 67 ASP N 1 67 ASP H 25015 1 62 . 1 1 68 68 ASP N N 15 . 1 1 68 68 ASP H H 1 0.872047782 0.0436023884 . . 1 68 ASP N 1 68 ASP H 25015 1 63 . 1 1 69 69 PHE N N 15 . 1 1 69 69 PHE H H 1 0.856289148 0.0428144597 . . 1 69 PHE N 1 69 PHE H 25015 1 64 . 1 1 70 70 PHE N N 15 . 1 1 70 70 PHE H H 1 0.86293304 0.0431466512 . . 1 70 PHE N 1 70 PHE H 25015 1 65 . 1 1 72 72 THR N N 15 . 1 1 72 72 THR H H 1 0.734108508 0.0367054269 . . 1 72 THR N 1 72 THR H 25015 1 66 . 1 1 73 73 LEU N N 15 . 1 1 73 73 LEU H H 1 0.902001619 0.0451000817 . . 1 73 LEU N 1 73 LEU H 25015 1 67 . 1 1 74 74 GLU N N 15 . 1 1 74 74 GLU H H 1 0.850318849 0.0425159447 . . 1 74 GLU N 1 74 GLU H 25015 1 68 . 1 1 75 75 GLU N N 15 . 1 1 75 75 GLU H H 1 0.845451176 0.0422725603 . . 1 75 GLU N 1 75 GLU H 25015 1 69 . 1 1 76 76 ILE N N 15 . 1 1 76 76 ILE H H 1 0.89384836 0.0446924195 . . 1 76 ILE N 1 76 ILE H 25015 1 70 . 1 1 77 77 ASP N N 15 . 1 1 77 77 ASP H H 1 0.846957743 0.0423478894 . . 1 77 ASP N 1 77 ASP H 25015 1 71 . 1 1 78 78 PHE N N 15 . 1 1 78 78 PHE H H 1 0.804604411 0.040230222 . . 1 78 PHE N 1 78 PHE H 25015 1 72 . 1 1 79 79 ASN N N 15 . 1 1 79 79 ASN H H 1 0.832309246 0.0416154638 . . 1 79 ASN N 1 79 ASN H 25015 1 73 . 1 1 80 80 GLY N N 15 . 1 1 80 80 GLY H H 1 0.789270043 0.0394635014 . . 1 80 GLY N 1 80 GLY H 25015 1 74 . 1 1 81 81 LYS N N 15 . 1 1 81 81 LYS H H 1 0.833056033 0.0416528024 . . 1 81 LYS N 1 81 LYS H 25015 1 75 . 1 1 82 82 LEU N N 15 . 1 1 82 82 LEU H H 1 0.808607578 0.0404303782 . . 1 82 LEU N 1 82 LEU H 25015 1 76 . 1 1 83 83 VAL N N 15 . 1 1 83 83 VAL H H 1 0.860754251 0.0430377126 . . 1 83 VAL N 1 83 VAL H 25015 1 77 . 1 1 84 84 ALA N N 15 . 1 1 84 84 ALA H H 1 0.82653743 0.041326873 . . 1 84 ALA N 1 84 ALA H 25015 1 78 . 1 1 85 85 LEU N N 15 . 1 1 85 85 LEU H H 1 0.917355359 0.0458677672 . . 1 85 LEU N 1 85 LEU H 25015 1 79 . 1 1 86 86 PHE N N 15 . 1 1 86 86 PHE H H 1 0.926764846 0.0463382415 . . 1 86 PHE N 1 86 PHE H 25015 1 80 . 1 1 87 87 GLY N N 15 . 1 1 87 87 GLY H H 1 0.873525262 0.0436762646 . . 1 87 GLY N 1 87 GLY H 25015 1 81 . 1 1 89 89 GLY N N 15 . 1 1 89 89 GLY H H 1 0.921514153 0.0460757092 . . 1 89 GLY N 1 89 GLY H 25015 1 82 . 1 1 90 90 ASP N N 15 . 1 1 90 90 ASP H H 1 0.87155962 0.0435779803 . . 1 90 ASP N 1 90 ASP H 25015 1 83 . 1 1 91 91 GLN N N 15 . 1 1 91 91 GLN H H 1 0.896395385 0.0448197685 . . 1 91 GLN N 1 91 GLN H 25015 1 84 . 1 1 92 92 GLU N N 15 . 1 1 92 92 GLU H H 1 0.888851881 0.0444425941 . . 1 92 GLU N 1 92 GLU H 25015 1 85 . 1 1 93 93 ASP N N 15 . 1 1 93 93 ASP H H 1 0.768654644 0.0384327322 . . 1 93 ASP N 1 93 ASP H 25015 1 86 . 1 1 94 94 TYR N N 15 . 1 1 94 94 TYR H H 1 0.882215261 0.0441107638 . . 1 94 TYR N 1 94 TYR H 25015 1 87 . 1 1 95 95 ALA N N 15 . 1 1 95 95 ALA H H 1 0.854793191 0.0427396595 . . 1 95 ALA N 1 95 ALA H 25015 1 88 . 1 1 96 96 GLU N N 15 . 1 1 96 96 GLU H H 1 0.835725904 0.0417862944 . . 1 96 GLU N 1 96 GLU H 25015 1 89 . 1 1 97 97 TYR N N 15 . 1 1 97 97 TYR H H 1 0.843500674 0.0421750359 . . 1 97 TYR N 1 97 TYR H 25015 1 90 . 1 1 98 98 PHE N N 15 . 1 1 98 98 PHE H H 1 0.847099066 0.0423549525 . . 1 98 PHE N 1 98 PHE H 25015 1 91 . 1 1 99 99 CYS N N 15 . 1 1 99 99 CYS H H 1 0.902963877 0.0451481938 . . 1 99 CYS N 1 99 CYS H 25015 1 92 . 1 1 100 100 ASP N N 15 . 1 1 100 100 ASP H H 1 0.878341019 0.0439170524 . . 1 100 ASP N 1 100 ASP H 25015 1 93 . 1 1 101 101 ALA N N 15 . 1 1 101 101 ALA H H 1 0.906205356 0.04531027 . . 1 101 ALA N 1 101 ALA H 25015 1 94 . 1 1 102 102 LEU N N 15 . 1 1 102 102 LEU H H 1 0.861194015 0.043059703 . . 1 102 LEU N 1 102 LEU H 25015 1 95 . 1 1 103 103 GLY N N 15 . 1 1 103 103 GLY H H 1 0.854132295 0.0427066162 . . 1 103 GLY N 1 103 GLY H 25015 1 96 . 1 1 104 104 THR N N 15 . 1 1 104 104 THR H H 1 0.871463478 0.0435731746 . . 1 104 THR N 1 104 THR H 25015 1 97 . 1 1 105 105 ILE N N 15 . 1 1 105 105 ILE H H 1 0.868900001 0.0434450023 . . 1 105 ILE N 1 105 ILE H 25015 1 98 . 1 1 106 106 ARG N N 15 . 1 1 106 106 ARG H H 1 0.889626265 0.0444813147 . . 1 106 ARG N 1 106 ARG H 25015 1 99 . 1 1 107 107 ASP N N 15 . 1 1 107 107 ASP H H 1 0.850012004 0.0425006002 . . 1 107 ASP N 1 107 ASP H 25015 1 100 . 1 1 108 108 ILE N N 15 . 1 1 108 108 ILE H H 1 0.899829984 0.0449915007 . . 1 108 ILE N 1 108 ILE H 25015 1 101 . 1 1 109 109 ILE N N 15 . 1 1 109 109 ILE H H 1 0.819218814 0.0409609415 . . 1 109 ILE N 1 109 ILE H 25015 1 102 . 1 1 110 110 GLU N N 15 . 1 1 110 110 GLU H H 1 0.921465993 0.0460732989 . . 1 110 GLU N 1 110 GLU H 25015 1 103 . 1 1 112 112 ARG N N 15 . 1 1 112 112 ARG H H 1 0.821974754 0.04109874 . . 1 112 ARG N 1 112 ARG H 25015 1 104 . 1 1 113 113 GLY N N 15 . 1 1 113 113 GLY H H 1 0.837509036 0.0418754518 . . 1 113 GLY N 1 113 GLY H 25015 1 105 . 1 1 114 114 ALA N N 15 . 1 1 114 114 ALA H H 1 0.761505723 0.0380752869 . . 1 114 ALA N 1 114 ALA H 25015 1 106 . 1 1 115 115 THR N N 15 . 1 1 115 115 THR H H 1 0.820682049 0.0410341024 . . 1 115 THR N 1 115 THR H 25015 1 107 . 1 1 116 116 ILE N N 15 . 1 1 116 116 ILE H H 1 0.839309216 0.0419654623 . . 1 116 ILE N 1 116 ILE H 25015 1 108 . 1 1 117 117 VAL N N 15 . 1 1 117 117 VAL H H 1 0.848801136 0.0424400568 . . 1 117 VAL N 1 117 VAL H 25015 1 109 . 1 1 118 118 GLY N N 15 . 1 1 118 118 GLY H H 1 0.850395203 0.0425197594 . . 1 118 GLY N 1 118 GLY H 25015 1 110 . 1 1 119 119 HIS N N 15 . 1 1 119 119 HIS H H 1 0.874225378 0.0437112711 . . 1 119 HIS N 1 119 HIS H 25015 1 111 . 1 1 120 120 TRP N N 15 . 1 1 120 120 TRP H H 1 0.82933712 0.0414668582 . . 1 120 TRP N 1 120 TRP H 25015 1 112 . 1 1 122 122 THR N N 15 . 1 1 122 122 THR H H 1 0.848831713 0.0424415879 . . 1 122 THR N 1 122 THR H 25015 1 113 . 1 1 123 123 ALA N N 15 . 1 1 123 123 ALA H H 1 0.899564266 0.0449782126 . . 1 123 ALA N 1 123 ALA H 25015 1 114 . 1 1 124 124 GLY N N 15 . 1 1 124 124 GLY H H 1 0.883983552 0.0441991799 . . 1 124 GLY N 1 124 GLY H 25015 1 115 . 1 1 125 125 TYR N N 15 . 1 1 125 125 TYR H H 1 0.863209844 0.0431604944 . . 1 125 TYR N 1 125 TYR H 25015 1 116 . 1 1 126 126 HIS N N 15 . 1 1 126 126 HIS H H 1 0.856626987 0.0428313501 . . 1 126 HIS N 1 126 HIS H 25015 1 117 . 1 1 127 127 PHE N N 15 . 1 1 127 127 PHE H H 1 0.759050429 0.0379525237 . . 1 127 PHE N 1 127 PHE H 25015 1 118 . 1 1 128 128 GLU N N 15 . 1 1 128 128 GLU H H 1 0.805296779 0.0402648412 . . 1 128 GLU N 1 128 GLU H 25015 1 119 . 1 1 129 129 ALA N N 15 . 1 1 129 129 ALA H H 1 0.837049484 0.0418524742 . . 1 129 ALA N 1 129 ALA H 25015 1 120 . 1 1 130 130 SER N N 15 . 1 1 130 130 SER H H 1 0.85328567 0.0426642857 . . 1 130 SER N 1 130 SER H 25015 1 121 . 1 1 131 131 LYS N N 15 . 1 1 131 131 LYS H H 1 0.856488228 0.0428244136 . . 1 131 LYS N 1 131 LYS H 25015 1 122 . 1 1 132 132 GLY N N 15 . 1 1 132 132 GLY H H 1 0.862713575 0.0431356803 . . 1 132 GLY N 1 132 GLY H 25015 1 123 . 1 1 133 133 LEU N N 15 . 1 1 133 133 LEU H H 1 0.842321336 0.0421160683 . . 1 133 LEU N 1 133 LEU H 25015 1 124 . 1 1 134 134 ALA N N 15 . 1 1 134 134 ALA H H 1 0.91452992 0.0457264967 . . 1 134 ALA N 1 134 ALA H 25015 1 125 . 1 1 135 135 ASP N N 15 . 1 1 135 135 ASP H H 1 0.763630748 0.0381815396 . . 1 135 ASP N 1 135 ASP H 25015 1 126 . 1 1 136 136 ASP N N 15 . 1 1 136 136 ASP H H 1 0.852071643 0.0426035821 . . 1 136 ASP N 1 136 ASP H 25015 1 127 . 1 1 137 137 ASP N N 15 . 1 1 137 137 ASP H H 1 0.843815982 0.0421908014 . . 1 137 ASP N 1 137 ASP H 25015 1 128 . 1 1 138 138 HIS N N 15 . 1 1 138 138 HIS H H 1 0.892507017 0.0446253531 . . 1 138 HIS N 1 138 HIS H 25015 1 129 . 1 1 139 139 PHE N N 15 . 1 1 139 139 PHE H H 1 0.880074084 0.0440037064 . . 1 139 PHE N 1 139 PHE H 25015 1 130 . 1 1 140 140 VAL N N 15 . 1 1 140 140 VAL H H 1 0.856551945 0.0428275988 . . 1 140 VAL N 1 140 VAL H 25015 1 131 . 1 1 141 141 GLY N N 15 . 1 1 141 141 GLY H H 1 0.892269611 0.0446134806 . . 1 141 GLY N 1 141 GLY H 25015 1 132 . 1 1 142 142 LEU N N 15 . 1 1 142 142 LEU H H 1 0.895432472 0.0447716229 . . 1 142 LEU N 1 142 LEU H 25015 1 133 . 1 1 144 144 ILE N N 15 . 1 1 144 144 ILE H H 1 0.922729015 0.04613645 . . 1 144 ILE N 1 144 ILE H 25015 1 134 . 1 1 145 145 ASP N N 15 . 1 1 145 145 ASP H H 1 0.865000904 0.0432500467 . . 1 145 ASP N 1 145 ASP H 25015 1 135 . 1 1 146 146 GLU N N 15 . 1 1 146 146 GLU H H 1 0.893094659 0.0446547344 . . 1 146 GLU N 1 146 GLU H 25015 1 136 . 1 1 147 147 ASP N N 15 . 1 1 147 147 ASP H H 1 0.84303838 0.0421519205 . . 1 147 ASP N 1 147 ASP H 25015 1 137 . 1 1 148 148 ARG N N 15 . 1 1 148 148 ARG H H 1 0.844880164 0.0422440097 . . 1 148 ARG N 1 148 ARG H 25015 1 138 . 1 1 149 149 GLN N N 15 . 1 1 149 149 GLN H H 1 0.879975975 0.0439988002 . . 1 149 GLN N 1 149 GLN H 25015 1 139 . 1 1 151 151 GLU N N 15 . 1 1 151 151 GLU H H 1 0.874173045 0.0437086523 . . 1 151 GLU N 1 151 GLU H 25015 1 140 . 1 1 152 152 LEU N N 15 . 1 1 152 152 LEU H H 1 0.838667512 0.0419333763 . . 1 152 LEU N 1 152 LEU H 25015 1 141 . 1 1 153 153 THR N N 15 . 1 1 153 153 THR H H 1 0.8660025 0.0433001257 . . 1 153 THR N 1 153 THR H 25015 1 142 . 1 1 154 154 ALA N N 15 . 1 1 154 154 ALA H H 1 0.901015818 0.0450507924 . . 1 154 ALA N 1 154 ALA H 25015 1 143 . 1 1 155 155 GLU N N 15 . 1 1 155 155 GLU H H 1 0.906400204 0.0453200117 . . 1 155 GLU N 1 155 GLU H 25015 1 144 . 1 1 156 156 ARG N N 15 . 1 1 156 156 ARG H H 1 0.861650109 0.0430825055 . . 1 156 ARG N 1 156 ARG H 25015 1 145 . 1 1 157 157 VAL N N 15 . 1 1 157 157 VAL H H 1 0.826891005 0.0413445495 . . 1 157 VAL N 1 157 VAL H 25015 1 146 . 1 1 158 158 GLU N N 15 . 1 1 158 158 GLU H H 1 0.813050926 0.040652547 . . 1 158 GLU N 1 158 GLU H 25015 1 147 . 1 1 159 159 LYS N N 15 . 1 1 159 159 LYS H H 1 0.846176147 0.0423088074 . . 1 159 LYS N 1 159 LYS H 25015 1 148 . 1 1 160 160 TRP N N 15 . 1 1 160 160 TRP H H 1 0.883155823 0.0441577919 . . 1 160 TRP N 1 160 TRP H 25015 1 149 . 1 1 161 161 VAL N N 15 . 1 1 161 161 VAL H H 1 0.860468328 0.0430234186 . . 1 161 VAL N 1 161 VAL H 25015 1 150 . 1 1 162 162 LYS N N 15 . 1 1 162 162 LYS H H 1 0.870635509 0.0435317755 . . 1 162 LYS N 1 162 LYS H 25015 1 151 . 1 1 163 163 GLN N N 15 . 1 1 163 163 GLN H H 1 0.888851881 0.0444425941 . . 1 163 GLN N 1 163 GLN H 25015 1 152 . 1 1 164 164 ILE N N 15 . 1 1 164 164 ILE H H 1 0.859891236 0.0429945625 . . 1 164 ILE N 1 164 ILE H 25015 1 153 . 1 1 165 165 SER N N 15 . 1 1 165 165 SER H H 1 0.825069547 0.0412534773 . . 1 165 SER N 1 165 SER H 25015 1 154 . 1 1 166 166 GLU N N 15 . 1 1 166 166 GLU H H 1 0.814778328 0.0407389179 . . 1 166 GLU N 1 166 GLU H 25015 1 155 . 1 1 167 167 GLU N N 15 . 1 1 167 167 GLU H H 1 0.824271858 0.0412135944 . . 1 167 GLU N 1 167 GLU H 25015 1 156 . 1 1 168 168 LEU N N 15 . 1 1 168 168 LEU H H 1 0.885457098 0.0442728549 . . 1 168 LEU N 1 168 LEU H 25015 1 157 . 1 1 169 169 HIS N N 15 . 1 1 169 169 HIS H H 1 0.863785207 0.0431892611 . . 1 169 HIS N 1 169 HIS H 25015 1 158 . 1 1 170 170 LEU N N 15 . 1 1 170 170 LEU H H 1 0.847117186 0.0423558615 . . 1 170 LEU N 1 170 LEU H 25015 1 159 . 1 1 171 171 ASP N N 15 . 1 1 171 171 ASP H H 1 0.678046823 0.0339023434 . . 1 171 ASP N 1 171 ASP H 25015 1 160 . 1 1 172 172 GLU N N 15 . 1 1 172 172 GLU H H 1 0.675213695 0.0337606855 . . 1 172 GLU N 1 172 GLU H 25015 1 161 . 1 1 174 174 LEU N N 15 . 1 1 174 174 LEU H H 1 0.502080858 0.025104044 . . 1 174 LEU N 1 174 LEU H 25015 1 162 . 1 1 175 175 ASN N N 15 . 1 1 175 175 ASN H H 1 0.376473814 0.0188236907 . . 1 175 ASN N 1 175 ASN H 25015 1 163 . 1 1 176 176 ALA N N 15 . 1 1 176 176 ALA H H 1 -0.28334567 0.0141672837 . . 1 176 ALA N 1 176 ALA H 25015 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 25015 _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 800.13 _Heteronucl_T1_list.T1_coherence_type Sz _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 2 'T1 measurement' . . . 25015 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 3 3 ILE N N 15 0.86291792 0.024033895 . 1 3 ILE N 25015 1 2 . 1 1 4 4 THR N N 15 0.94355531 0.019038645 . 1 4 THR N 25015 1 3 . 1 1 5 5 GLY N N 15 0.92558094 0.019767961 . 1 5 GLY N 25015 1 4 . 1 1 6 6 ILE N N 15 0.8346696 0.025618901 . 1 6 ILE N 25015 1 5 . 1 1 7 7 PHE N N 15 0.89733597 0.012685863 . 1 7 PHE N 25015 1 6 . 1 1 8 8 PHE N N 15 0.87741172 0.021773632 . 1 8 PHE N 25015 1 7 . 1 1 9 9 GLY N N 15 0.86821963 0.024553087 . 1 9 GLY N 25015 1 8 . 1 1 10 10 SER N N 15 0.90296868 0.027261261 . 1 10 SER N 25015 1 9 . 1 1 11 11 ASP N N 15 0.90279526 0.047890973 . 1 11 ASP N 25015 1 10 . 1 1 12 12 THR N N 15 0.88931933 0.030474338 . 1 12 THR N 25015 1 11 . 1 1 13 13 GLY N N 15 0.96061135 0.040156825 . 1 13 GLY N 25015 1 12 . 1 1 14 14 ASN N N 15 0.96004236 0.033184014 . 1 14 ASN N 25015 1 13 . 1 1 15 15 THR N N 15 0.93979624 0.033707459 . 1 15 THR N 25015 1 14 . 1 1 16 16 GLU N N 15 0.93037418 0.020870285 . 1 16 GLU N 25015 1 15 . 1 1 17 17 ASN N N 15 0.84365572 0.012400831 . 1 17 ASN N 25015 1 16 . 1 1 18 18 ILE N N 15 0.86903592 0.011083619 . 1 18 ILE N 25015 1 17 . 1 1 19 19 ALA N N 15 0.85477639 0.024638903 . 1 19 ALA N 25015 1 18 . 1 1 20 20 LYS N N 15 0.80593024 0.017085451 . 1 20 LYS N 25015 1 19 . 1 1 21 21 MET N N 15 0.92425355 0.025957102 . 1 21 MET N 25015 1 20 . 1 1 22 22 ILE N N 15 0.90787631 0.027201162 . 1 22 ILE N 25015 1 21 . 1 1 23 23 GLN N N 15 0.84861903 0.01247334 . 1 23 GLN N 25015 1 22 . 1 1 24 24 LYS N N 15 0.87359121 0.017868586 . 1 24 LYS N 25015 1 23 . 1 1 25 25 GLN N N 15 0.86626305 0.023490754 . 1 25 GLN N 25015 1 24 . 1 1 26 26 LEU N N 15 0.88109595 0.014165375 . 1 26 LEU N 25015 1 25 . 1 1 28 28 LYS N N 15 0.95968797 0.023698798 . 1 28 LYS N 25015 1 26 . 1 1 29 29 ASP N N 15 0.8971596 0.012980276 . 1 29 ASP N 25015 1 27 . 1 1 30 30 VAL N N 15 0.85530856 0.028662254 . 1 30 VAL N 25015 1 28 . 1 1 31 31 ALA N N 15 0.90907076 0.023653414 . 1 31 ALA N 25015 1 29 . 1 1 32 32 ASP N N 15 0.83266216 0.025163606 . 1 32 ASP N 25015 1 30 . 1 1 33 33 VAL N N 15 0.80017792 0.014662139 . 1 33 VAL N 25015 1 31 . 1 1 34 34 HIS N N 15 0.86682344 0.016381207 . 1 34 HIS N 25015 1 32 . 1 1 35 35 ASP N N 15 0.81533472 0.029026241 . 1 35 ASP N 25015 1 33 . 1 1 36 36 ILE N N 15 0.94065802 0.036755282 . 1 36 ILE N 25015 1 34 . 1 1 37 37 ALA N N 15 0.94596986 0.022099106 . 1 37 ALA N 25015 1 35 . 1 1 38 38 LYS N N 15 0.84821662 0.013839996 . 1 38 LYS N 25015 1 36 . 1 1 39 39 SER N N 15 0.73131529 0.0098984598 . 1 39 SER N 25015 1 37 . 1 1 40 40 SER N N 15 0.85601154 0.014979263 . 1 40 SER N 25015 1 38 . 1 1 41 41 LYS N N 15 0.91397094 0.016042173 . 1 41 LYS N 25015 1 39 . 1 1 42 42 GLU N N 15 0.91090559 0.025287579 . 1 42 GLU N 25015 1 40 . 1 1 44 44 LEU N N 15 0.84756858 0.019912962 . 1 44 LEU N 25015 1 41 . 1 1 45 45 GLU N N 15 0.88086427 0.02138838 . 1 45 GLU N 25015 1 42 . 1 1 46 46 ALA N N 15 0.86166536 0.010039637 . 1 46 ALA N 25015 1 43 . 1 1 47 47 TYR N N 15 0.79633582 0.021867797 . 1 47 TYR N 25015 1 44 . 1 1 48 48 ASP N N 15 0.82006531 0.018805185 . 1 48 ASP N 25015 1 45 . 1 1 49 49 ILE N N 15 0.87367889 0.018258375 . 1 49 ILE N 25015 1 46 . 1 1 50 50 LEU N N 15 0.88725241 0.012369891 . 1 50 LEU N 25015 1 47 . 1 1 51 51 LEU N N 15 0.82325763 0.00877721 . 1 51 LEU N 25015 1 48 . 1 1 52 52 LEU N N 15 0.83474318 0.029875605 . 1 52 LEU N 25015 1 49 . 1 1 53 53 GLY N N 15 0.80370251 0.011810932 . 1 53 GLY N 25015 1 50 . 1 1 54 54 ILE N N 15 0.97383035 0.03386558 . 1 54 ILE N 25015 1 51 . 1 1 56 56 THR N N 15 0.89443667 0.051423533 . 1 56 THR N 25015 1 52 . 1 1 57 57 TRP N N 15 0.9332422 0.037589319 . 1 57 TRP N 25015 1 53 . 1 1 59 59 TYR N N 15 0.89965805 0.040787341 . 1 59 TYR N 25015 1 54 . 1 1 60 60 GLY N N 15 0.95143264 0.02580069 . 1 60 GLY N 25015 1 55 . 1 1 61 61 GLU N N 15 0.9408081 0.020501925 . 1 61 GLU N 25015 1 56 . 1 1 62 62 ALA N N 15 0.85286086 0.032466629 . 1 62 ALA N 25015 1 57 . 1 1 63 63 GLN N N 15 0.91793731 0.03926269 . 1 63 GLN N 25015 1 58 . 1 1 64 64 CYS N N 15 0.81796848 0.043600109 . 1 64 CYS N 25015 1 59 . 1 1 65 65 ASP N N 15 0.90204704 0.03040059 . 1 65 ASP N 25015 1 60 . 1 1 66 66 TRP N N 15 0.82869676 0.018060239 . 1 66 TRP N 25015 1 61 . 1 1 67 67 ASP N N 15 0.88585569 0.0285726 . 1 67 ASP N 25015 1 62 . 1 1 68 68 ASP N N 15 0.86281107 0.021690477 . 1 68 ASP N 25015 1 63 . 1 1 69 69 PHE N N 15 0.90956433 0.041382046 . 1 69 PHE N 25015 1 64 . 1 1 70 70 PHE N N 15 0.87070345 0.013832821 . 1 70 PHE N 25015 1 65 . 1 1 72 72 THR N N 15 0.8145853 0.011411903 . 1 72 THR N 25015 1 66 . 1 1 73 73 LEU N N 15 0.89001345 0.021953103 . 1 73 LEU N 25015 1 67 . 1 1 74 74 GLU N N 15 0.89689851 0.019430183 . 1 74 GLU N 25015 1 68 . 1 1 75 75 GLU N N 15 0.87806136 0.011080018 . 1 75 GLU N 25015 1 69 . 1 1 76 76 ILE N N 15 0.84526456 0.014445542 . 1 76 ILE N 25015 1 70 . 1 1 77 77 ASP N N 15 0.87914223 0.033816462 . 1 77 ASP N 25015 1 71 . 1 1 78 78 PHE N N 15 0.80419102 0.020101541 . 1 78 PHE N 25015 1 72 . 1 1 79 79 ASN N N 15 0.90366034 0.013148156 . 1 79 ASN N 25015 1 73 . 1 1 80 80 GLY N N 15 0.83552992 0.018248698 . 1 80 GLY N 25015 1 74 . 1 1 81 81 LYS N N 15 0.8969778 0.016881354 . 1 81 LYS N 25015 1 75 . 1 1 82 82 LEU N N 15 0.85641805 0.020635571 . 1 82 LEU N 25015 1 76 . 1 1 83 83 VAL N N 15 0.82987555 0.014121185 . 1 83 VAL N 25015 1 77 . 1 1 84 84 ALA N N 15 0.90317655 0.021061161 . 1 84 ALA N 25015 1 78 . 1 1 85 85 LEU N N 15 0.87438939 0.035912879 . 1 85 LEU N 25015 1 79 . 1 1 86 86 PHE N N 15 0.9157258 0.03008066 . 1 86 PHE N 25015 1 80 . 1 1 87 87 GLY N N 15 0.86840509 0.018597474 . 1 87 GLY N 25015 1 81 . 1 1 89 89 GLY N N 15 0.89700333 0.028809919 . 1 89 GLY N 25015 1 82 . 1 1 90 90 ASP N N 15 0.84379774 0.028332062 . 1 90 ASP N 25015 1 83 . 1 1 91 91 GLN N N 15 0.80290826 0.034812918 . 1 91 GLN N 25015 1 84 . 1 1 92 92 GLU N N 15 0.92420724 0.017461963 . 1 92 GLU N 25015 1 85 . 1 1 93 93 ASP N N 15 0.80001013 0.040542343 . 1 93 ASP N 25015 1 86 . 1 1 94 94 TYR N N 15 0.87592339 0.025710314 . 1 94 TYR N 25015 1 87 . 1 1 95 95 ALA N N 15 0.8206274 0.030830833 . 1 95 ALA N 25015 1 88 . 1 1 96 96 GLU N N 15 0.8430661 0.02614537 . 1 96 GLU N 25015 1 89 . 1 1 97 97 TYR N N 15 0.86536063 0.01664349 . 1 97 TYR N 25015 1 90 . 1 1 98 98 PHE N N 15 0.9028898 0.031830303 . 1 98 PHE N 25015 1 91 . 1 1 99 99 CYS N N 15 0.94723588 0.046021223 . 1 99 CYS N 25015 1 92 . 1 1 100 100 ASP N N 15 0.81555239 0.033544236 . 1 100 ASP N 25015 1 93 . 1 1 101 101 ALA N N 15 0.95250561 0.018045273 . 1 101 ALA N 25015 1 94 . 1 1 102 102 LEU N N 15 0.86915741 0.018350766 . 1 102 LEU N 25015 1 95 . 1 1 103 103 GLY N N 15 0.8407834 0.037960885 . 1 103 GLY N 25015 1 96 . 1 1 104 104 THR N N 15 0.88937127 0.026590423 . 1 104 THR N 25015 1 97 . 1 1 105 105 ILE N N 15 0.90068456 0.025793868 . 1 105 ILE N 25015 1 98 . 1 1 106 106 ARG N N 15 0.9301307 0.01575862 . 1 106 ARG N 25015 1 99 . 1 1 107 107 ASP N N 15 0.9015258 0.028334708 . 1 107 ASP N 25015 1 100 . 1 1 108 108 ILE N N 15 0.91010506 0.014138777 . 1 108 ILE N 25015 1 101 . 1 1 109 109 ILE N N 15 0.8243322 0.014350118 . 1 109 ILE N 25015 1 102 . 1 1 110 110 GLU N N 15 0.9327225 0.015743199 . 1 110 GLU N 25015 1 103 . 1 1 112 112 ARG N N 15 0.84554202 0.013353808 . 1 112 ARG N 25015 1 104 . 1 1 113 113 GLY N N 15 0.80507523 0.018608017 . 1 113 GLY N 25015 1 105 . 1 1 114 114 ALA N N 15 0.92649899 0.055418136 . 1 114 ALA N 25015 1 106 . 1 1 115 115 THR N N 15 0.8039117 0.021486131 . 1 115 THR N 25015 1 107 . 1 1 116 116 ILE N N 15 0.795392 0.016800957 . 1 116 ILE N 25015 1 108 . 1 1 117 117 VAL N N 15 0.90119408 0.011530795 . 1 117 VAL N 25015 1 109 . 1 1 118 118 GLY N N 15 0.87336231 0.016957394 . 1 118 GLY N 25015 1 110 . 1 1 119 119 HIS N N 15 0.84723208 0.021467195 . 1 119 HIS N 25015 1 111 . 1 1 120 120 TRP N N 15 0.85992736 0.026005862 . 1 120 TRP N 25015 1 112 . 1 1 122 122 THR N N 15 0.84308585 0.027816926 . 1 122 THR N 25015 1 113 . 1 1 123 123 ALA N N 15 0.86030605 0.022645186 . 1 123 ALA N 25015 1 114 . 1 1 124 124 GLY N N 15 0.81929348 0.061282979 . 1 124 GLY N 25015 1 115 . 1 1 125 125 TYR N N 15 0.90092466 0.019204591 . 1 125 TYR N 25015 1 116 . 1 1 126 126 HIS N N 15 0.82579259 0.022115732 . 1 126 HIS N 25015 1 117 . 1 1 127 127 PHE N N 15 0.76701994 0.02498678 . 1 127 PHE N 25015 1 118 . 1 1 128 128 GLU N N 15 0.91171349 0.014417754 . 1 128 GLU N 25015 1 119 . 1 1 129 129 ALA N N 15 0.8586283 0.021812117 . 1 129 ALA N 25015 1 120 . 1 1 130 130 SER N N 15 0.8039211 0.029227647 . 1 130 SER N 25015 1 121 . 1 1 131 131 LYS N N 15 0.90479328 0.030032413 . 1 131 LYS N 25015 1 122 . 1 1 132 132 GLY N N 15 0.8589642 0.022315123 . 1 132 GLY N 25015 1 123 . 1 1 133 133 LEU N N 15 0.81809116 0.022027841 . 1 133 LEU N 25015 1 124 . 1 1 134 134 ALA N N 15 0.84107789 0.01666632 . 1 134 ALA N 25015 1 125 . 1 1 135 135 ASP N N 15 0.75497637 0.012013053 . 1 135 ASP N 25015 1 126 . 1 1 136 136 ASP N N 15 0.8462721 0.01843875 . 1 136 ASP N 25015 1 127 . 1 1 137 137 ASP N N 15 0.84718069 0.014800036 . 1 137 ASP N 25015 1 128 . 1 1 138 138 HIS N N 15 0.86502139 0.038503817 . 1 138 HIS N 25015 1 129 . 1 1 139 139 PHE N N 15 0.87397444 0.015638971 . 1 139 PHE N 25015 1 130 . 1 1 140 140 VAL N N 15 0.82231473 0.028394691 . 1 140 VAL N 25015 1 131 . 1 1 141 141 GLY N N 15 0.86947766 0.016424815 . 1 141 GLY N 25015 1 132 . 1 1 142 142 LEU N N 15 0.86712783 0.031449793 . 1 142 LEU N 25015 1 133 . 1 1 144 144 ILE N N 15 0.88264787 0.019276278 . 1 144 ILE N 25015 1 134 . 1 1 145 145 ASP N N 15 0.84559022 0.041810111 . 1 145 ASP N 25015 1 135 . 1 1 146 146 GLU N N 15 0.8960312 0.045545091 . 1 146 GLU N 25015 1 136 . 1 1 147 147 ASP N N 15 0.92194717 0.028805485 . 1 147 ASP N 25015 1 137 . 1 1 148 148 ARG N N 15 0.85887293 0.033875508 . 1 148 ARG N 25015 1 138 . 1 1 149 149 GLN N N 15 0.8436366 0.045824108 . 1 149 GLN N 25015 1 139 . 1 1 151 151 GLU N N 15 0.83173732 0.02761076 . 1 151 GLU N 25015 1 140 . 1 1 152 152 LEU N N 15 0.86339014 0.027642125 . 1 152 LEU N 25015 1 141 . 1 1 153 153 THR N N 15 0.8410903 0.024521893 . 1 153 THR N 25015 1 142 . 1 1 154 154 ALA N N 15 0.85834043 0.029095855 . 1 154 ALA N 25015 1 143 . 1 1 155 155 GLU N N 15 0.8245003 0.023514643 . 1 155 GLU N 25015 1 144 . 1 1 156 156 ARG N N 15 0.92663518 0.02064067 . 1 156 ARG N 25015 1 145 . 1 1 157 157 VAL N N 15 0.84120236 0.01492681 . 1 157 VAL N 25015 1 146 . 1 1 158 158 GLU N N 15 0.8713105 0.013989418 . 1 158 GLU N 25015 1 147 . 1 1 159 159 LYS N N 15 0.8985938 0.020280141 . 1 159 LYS N 25015 1 148 . 1 1 160 160 TRP N N 15 0.93131158 0.024266559 . 1 160 TRP N 25015 1 149 . 1 1 161 161 VAL N N 15 0.90186953 0.028696411 . 1 161 VAL N 25015 1 150 . 1 1 162 162 LYS N N 15 0.90972707 0.019270834 . 1 162 LYS N 25015 1 151 . 1 1 163 163 GLN N N 15 0.89402434 0.016895079 . 1 163 GLN N 25015 1 152 . 1 1 164 164 ILE N N 15 0.90956256 0.014567034 . 1 164 ILE N 25015 1 153 . 1 1 165 165 SER N N 15 0.9137326 0.019859245 . 1 165 SER N 25015 1 154 . 1 1 166 166 GLU N N 15 0.84934858 0.015616493 . 1 166 GLU N 25015 1 155 . 1 1 167 167 GLU N N 15 0.84509027 0.019752345 . 1 167 GLU N 25015 1 156 . 1 1 168 168 LEU N N 15 0.88600561 0.02657461 . 1 168 LEU N 25015 1 157 . 1 1 169 169 HIS N N 15 0.8502506 0.016460004 . 1 169 HIS N 25015 1 158 . 1 1 170 170 LEU N N 15 0.90229447 0.023223236 . 1 170 LEU N 25015 1 159 . 1 1 171 171 ASP N N 15 0.96805506 0.011923039 . 1 171 ASP N 25015 1 160 . 1 1 172 172 GLU N N 15 0.96638591 0.011439041 . 1 172 GLU N 25015 1 161 . 1 1 174 174 LEU N N 15 1.102277 0.0086752711 . 1 174 LEU N 25015 1 162 . 1 1 175 175 ASN N N 15 1.093777 0.013867825 . 1 175 ASN N 25015 1 163 . 1 1 176 176 ALA N N 15 1.0016347 0.06330126 . 1 176 ALA N 25015 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 25015 _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 'temperature compensation block' _Heteronucl_T2_list.Spectrometer_frequency_1H 800.13 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 3 'T2 measurement' . . . 25015 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 3 3 ILE N N 15 13.520362 0.065127179 . . . 1 3 ILE N 25015 1 2 . 1 1 4 4 THR N N 15 17.910123 0.18527525 . . . 1 4 THR N 25015 1 3 . 1 1 5 5 GLY N N 15 14.96439 0.16758946 . . . 1 5 GLY N 25015 1 4 . 1 1 6 6 ILE N N 15 14.976347 0.13442076 . . . 1 6 ILE N 25015 1 5 . 1 1 7 7 PHE N N 15 14.355446 0.1424098 . . . 1 7 PHE N 25015 1 6 . 1 1 8 8 PHE N N 15 15.517107 0.22273156 . . . 1 8 PHE N 25015 1 7 . 1 1 9 9 GLY N N 15 14.78778 0.083117952 . . . 1 9 GLY N 25015 1 8 . 1 1 10 10 SER N N 15 15.197277 0.10782207 . . . 1 10 SER N 25015 1 9 . 1 1 11 11 ASP N N 15 15.85975 0.60828909 . . . 1 11 ASP N 25015 1 10 . 1 1 12 12 THR N N 15 13.650711 0.11062814 . . . 1 12 THR N 25015 1 11 . 1 1 13 13 GLY N N 15 15.28053 0.10603671 . . . 1 13 GLY N 25015 1 12 . 1 1 14 14 ASN N N 15 17.525546 0.20973639 . . . 1 14 ASN N 25015 1 13 . 1 1 15 15 THR N N 15 15.344569 0.30913242 . . . 1 15 THR N 25015 1 14 . 1 1 16 16 GLU N N 15 17.283105 0.25806425 . . . 1 16 GLU N 25015 1 15 . 1 1 17 17 ASN N N 15 16.637128 0.11409345 . . . 1 17 ASN N 25015 1 16 . 1 1 18 18 ILE N N 15 16.424919 0.17413522 . . . 1 18 ILE N 25015 1 17 . 1 1 19 19 ALA N N 15 15.182982 0.33604516 . . . 1 19 ALA N 25015 1 18 . 1 1 20 20 LYS N N 15 16.080734 0.049986872 . . . 1 20 LYS N 25015 1 19 . 1 1 21 21 MET N N 15 14.978632 0.41934731 . . . 1 21 MET N 25015 1 20 . 1 1 22 22 ILE N N 15 12.456971 0.63086734 . . . 1 22 ILE N 25015 1 21 . 1 1 23 23 GLN N N 15 16.930266 0.22135131 . . . 1 23 GLN N 25015 1 22 . 1 1 24 24 LYS N N 15 16.722462 0.073679857 . . . 1 24 LYS N 25015 1 23 . 1 1 25 25 GLN N N 15 17.493868 0.069278687 . . . 1 25 GLN N 25015 1 24 . 1 1 26 26 LEU N N 15 15.808112 0.15414906 . . . 1 26 LEU N 25015 1 25 . 1 1 28 28 LYS N N 15 18.500721 0.20631541 . . . 1 28 LYS N 25015 1 26 . 1 1 29 29 ASP N N 15 37.579567 1.0223578 . . . 1 29 ASP N 25015 1 27 . 1 1 30 30 VAL N N 15 16.808775 0.320209 . . . 1 30 VAL N 25015 1 28 . 1 1 31 31 ALA N N 15 18.026157 0.46914713 . . . 1 31 ALA N 25015 1 29 . 1 1 32 32 ASP N N 15 14.907669 0.38365605 . . . 1 32 ASP N 25015 1 30 . 1 1 33 33 VAL N N 15 14.275575 0.17959389 . . . 1 33 VAL N 25015 1 31 . 1 1 34 34 HIS N N 15 13.922558 0.23880105 . . . 1 34 HIS N 25015 1 32 . 1 1 35 35 ASP N N 15 13.157159 0.33884602 . . . 1 35 ASP N 25015 1 33 . 1 1 36 36 ILE N N 15 15.870111 0.18565273 . . . 1 36 ILE N 25015 1 34 . 1 1 37 37 ALA N N 15 14.91484 0.43774764 . . . 1 37 ALA N 25015 1 35 . 1 1 38 38 LYS N N 15 13.948358 0.07390705 . . . 1 38 LYS N 25015 1 36 . 1 1 39 39 SER N N 15 14.472259 0.066538167 . . . 1 39 SER N 25015 1 37 . 1 1 40 40 SER N N 15 15.070283 0.27125305 . . . 1 40 SER N 25015 1 38 . 1 1 41 41 LYS N N 15 13.397746 0.28921133 . . . 1 41 LYS N 25015 1 39 . 1 1 42 42 GLU N N 15 15.155543 0.041794091 . . . 1 42 GLU N 25015 1 40 . 1 1 44 44 LEU N N 15 15.215695 0.16568009 . . . 1 44 LEU N 25015 1 41 . 1 1 45 45 GLU N N 15 13.976135 0.068740441 . . . 1 45 GLU N 25015 1 42 . 1 1 46 46 ALA N N 15 15.81583 0.14962119 . . . 1 46 ALA N 25015 1 43 . 1 1 47 47 TYR N N 15 15.331017 0.05187911 . . . 1 47 TYR N 25015 1 44 . 1 1 48 48 ASP N N 15 12.999902 0.20724787 . . . 1 48 ASP N 25015 1 45 . 1 1 49 49 ILE N N 15 14.594168 0.13849421 . . . 1 49 ILE N 25015 1 46 . 1 1 50 50 LEU N N 15 14.537798 0.15182098 . . . 1 50 LEU N 25015 1 47 . 1 1 51 51 LEU N N 15 13.351271 0.34678773 . . . 1 51 LEU N 25015 1 48 . 1 1 52 52 LEU N N 15 13.146595 0.37077476 . . . 1 52 LEU N 25015 1 49 . 1 1 53 53 GLY N N 15 14.572814 0.16394582 . . . 1 53 GLY N 25015 1 50 . 1 1 54 54 ILE N N 15 15.49088 0.25812888 . . . 1 54 ILE N 25015 1 51 . 1 1 56 56 THR N N 15 15.349805 0.1308657 . . . 1 56 THR N 25015 1 52 . 1 1 57 57 TRP N N 15 19.895576 0.33276363 . . . 1 57 TRP N 25015 1 53 . 1 1 59 59 TYR N N 15 33.625447 0.4832283 . . . 1 59 TYR N 25015 1 54 . 1 1 60 60 GLY N N 15 18.352691 0.44947742 . . . 1 60 GLY N 25015 1 55 . 1 1 61 61 GLU N N 15 15.43148 0.48762406 . . . 1 61 GLU N 25015 1 56 . 1 1 62 62 ALA N N 15 14.206846 0.4455406 . . . 1 62 ALA N 25015 1 57 . 1 1 63 63 GLN N N 15 15.388277 0.31389369 . . . 1 63 GLN N 25015 1 58 . 1 1 64 64 CYS N N 15 16.114721 0.62212562 . . . 1 64 CYS N 25015 1 59 . 1 1 65 65 ASP N N 15 15.858073 0.2989349 . . . 1 65 ASP N 25015 1 60 . 1 1 66 66 TRP N N 15 14.734823 0.35029825 . . . 1 66 TRP N 25015 1 61 . 1 1 67 67 ASP N N 15 15.495639 0.17612705 . . . 1 67 ASP N 25015 1 62 . 1 1 68 68 ASP N N 15 15.215156 0.11836707 . . . 1 68 ASP N 25015 1 63 . 1 1 69 69 PHE N N 15 15.389026 0.22701227 . . . 1 69 PHE N 25015 1 64 . 1 1 70 70 PHE N N 15 13.59195 0.36496048 . . . 1 70 PHE N 25015 1 65 . 1 1 72 72 THR N N 15 14.598109 0.054052039 . . . 1 72 THR N 25015 1 66 . 1 1 73 73 LEU N N 15 14.380252 0.34730762 . . . 1 73 LEU N 25015 1 67 . 1 1 74 74 GLU N N 15 14.345401 0.084624545 . . . 1 74 GLU N 25015 1 68 . 1 1 75 75 GLU N N 15 14.81812 0.048890393 . . . 1 75 GLU N 25015 1 69 . 1 1 76 76 ILE N N 15 14.513384 0.34481691 . . . 1 76 ILE N 25015 1 70 . 1 1 77 77 ASP N N 15 15.019725 0.1052344 . . . 1 77 ASP N 25015 1 71 . 1 1 78 78 PHE N N 15 12.731374 0.28049552 . . . 1 78 PHE N 25015 1 72 . 1 1 79 79 ASN N N 15 14.231762 0.2021087 . . . 1 79 ASN N 25015 1 73 . 1 1 80 80 GLY N N 15 12.564487 0.081032671 . . . 1 80 GLY N 25015 1 74 . 1 1 81 81 LYS N N 15 14.474042 0.1191694 . . . 1 81 LYS N 25015 1 75 . 1 1 82 82 LEU N N 15 14.653249 0.11507785 . . . 1 82 LEU N 25015 1 76 . 1 1 83 83 VAL N N 15 13.693443 0.13852027 . . . 1 83 VAL N 25015 1 77 . 1 1 84 84 ALA N N 15 14.970426 0.15032697 . . . 1 84 ALA N 25015 1 78 . 1 1 85 85 LEU N N 15 12.467855 0.21596095 . . . 1 85 LEU N 25015 1 79 . 1 1 86 86 PHE N N 15 15.287769 0.1995128 . . . 1 86 PHE N 25015 1 80 . 1 1 87 87 GLY N N 15 14.818261 0.28512339 . . . 1 87 GLY N 25015 1 81 . 1 1 89 89 GLY N N 15 15.290142 0.056017565 . . . 1 89 GLY N 25015 1 82 . 1 1 90 90 ASP N N 15 13.627771 0.40980919 . . . 1 90 ASP N 25015 1 83 . 1 1 91 91 GLN N N 15 14.059222 0.31955558 . . . 1 91 GLN N 25015 1 84 . 1 1 92 92 GLU N N 15 16.3203 0.090847808 . . . 1 92 GLU N 25015 1 85 . 1 1 93 93 ASP N N 15 14.590622 0.28456733 . . . 1 93 ASP N 25015 1 86 . 1 1 94 94 TYR N N 15 15.457132 0.13724889 . . . 1 94 TYR N 25015 1 87 . 1 1 95 95 ALA N N 15 15.14375 0.18770836 . . . 1 95 ALA N 25015 1 88 . 1 1 96 96 GLU N N 15 14.565249 0.12275865 . . . 1 96 GLU N 25015 1 89 . 1 1 97 97 TYR N N 15 14.871742 0.31360174 . . . 1 97 TYR N 25015 1 90 . 1 1 98 98 PHE N N 15 15.218113 0.26354033 . . . 1 98 PHE N 25015 1 91 . 1 1 99 99 CYS N N 15 15.613398 0.3725605 . . . 1 99 CYS N 25015 1 92 . 1 1 100 100 ASP N N 15 17.329065 0.071822502 . . . 1 100 ASP N 25015 1 93 . 1 1 101 101 ALA N N 15 17.142436 0.14079259 . . . 1 101 ALA N 25015 1 94 . 1 1 102 102 LEU N N 15 16.375299 0.13818563 . . . 1 102 LEU N 25015 1 95 . 1 1 103 103 GLY N N 15 15.377295 0.23221837 . . . 1 103 GLY N 25015 1 96 . 1 1 104 104 THR N N 15 15.96983 0.18094554 . . . 1 104 THR N 25015 1 97 . 1 1 105 105 ILE N N 15 16.373803 0.097380192 . . . 1 105 ILE N 25015 1 98 . 1 1 106 106 ARG N N 15 15.917447 0.12845584 . . . 1 106 ARG N 25015 1 99 . 1 1 107 107 ASP N N 15 16.596665 0.1106079 . . . 1 107 ASP N 25015 1 100 . 1 1 108 108 ILE N N 15 15.183321 0.070216843 . . . 1 108 ILE N 25015 1 101 . 1 1 109 109 ILE N N 15 15.157581 0.11360571 . . . 1 109 ILE N 25015 1 102 . 1 1 110 110 GLU N N 15 17.500407 0.18822288 . . . 1 110 GLU N 25015 1 103 . 1 1 112 112 ARG N N 15 14.16429 0.073251615 . . . 1 112 ARG N 25015 1 104 . 1 1 113 113 GLY N N 15 15.834859 0.15223586 . . . 1 113 GLY N 25015 1 105 . 1 1 114 114 ALA N N 15 15.460342 0.27331094 . . . 1 114 ALA N 25015 1 106 . 1 1 115 115 THR N N 15 13.77423 0.22169691 . . . 1 115 THR N 25015 1 107 . 1 1 116 116 ILE N N 15 13.893645 0.17375592 . . . 1 116 ILE N 25015 1 108 . 1 1 117 117 VAL N N 15 13.559819 0.31343543 . . . 1 117 VAL N 25015 1 109 . 1 1 118 118 GLY N N 15 14.417069 0.096039615 . . . 1 118 GLY N 25015 1 110 . 1 1 119 119 HIS N N 15 15.951426 0.10347937 . . . 1 119 HIS N 25015 1 111 . 1 1 120 120 TRP N N 15 13.928321 0.28229542 . . . 1 120 TRP N 25015 1 112 . 1 1 122 122 THR N N 15 13.552142 0.14399023 . . . 1 122 THR N 25015 1 113 . 1 1 123 123 ALA N N 15 16.205381 0.11531476 . . . 1 123 ALA N 25015 1 114 . 1 1 124 124 GLY N N 15 13.965805 0.22080039 . . . 1 124 GLY N 25015 1 115 . 1 1 125 125 TYR N N 15 15.331701 0.1294379 . . . 1 125 TYR N 25015 1 116 . 1 1 126 126 HIS N N 15 12.962311 0.2144895 . . . 1 126 HIS N 25015 1 117 . 1 1 127 127 PHE N N 15 11.194822 0.062167433 . . . 1 127 PHE N 25015 1 118 . 1 1 128 128 GLU N N 15 12.163684 0.35188941 . . . 1 128 GLU N 25015 1 119 . 1 1 129 129 ALA N N 15 13.172797 0.32509513 . . . 1 129 ALA N 25015 1 120 . 1 1 130 130 SER N N 15 13.04098 0.086433214 . . . 1 130 SER N 25015 1 121 . 1 1 131 131 LYS N N 15 14.585199 0.19027263 . . . 1 131 LYS N 25015 1 122 . 1 1 132 132 GLY N N 15 15.521569 0.10570216 . . . 1 132 GLY N 25015 1 123 . 1 1 133 133 LEU N N 15 15.137056 0.18649064 . . . 1 133 LEU N 25015 1 124 . 1 1 134 134 ALA N N 15 14.345247 0.20611453 . . . 1 134 ALA N 25015 1 125 . 1 1 135 135 ASP N N 15 12.214955 0.060277902 . . . 1 135 ASP N 25015 1 126 . 1 1 136 136 ASP N N 15 13.190547 0.038068148 . . . 1 136 ASP N 25015 1 127 . 1 1 137 137 ASP N N 15 13.772278 0.10310728 . . . 1 137 ASP N 25015 1 128 . 1 1 138 138 HIS N N 15 15.567176 0.079070076 . . . 1 138 HIS N 25015 1 129 . 1 1 139 139 PHE N N 15 13.743362 0.33820516 . . . 1 139 PHE N 25015 1 130 . 1 1 140 140 VAL N N 15 16.662772 0.12895027 . . . 1 140 VAL N 25015 1 131 . 1 1 141 141 GLY N N 15 16.537088 0.16871138 . . . 1 141 GLY N 25015 1 132 . 1 1 142 142 LEU N N 15 16.021651 0.13687987 . . . 1 142 LEU N 25015 1 133 . 1 1 144 144 ILE N N 15 14.237575 0.036336753 . . . 1 144 ILE N 25015 1 134 . 1 1 145 145 ASP N N 15 14.990038 0.23944815 . . . 1 145 ASP N 25015 1 135 . 1 1 146 146 GLU N N 15 13.611958 0.36505544 . . . 1 146 GLU N 25015 1 136 . 1 1 147 147 ASP N N 15 15.243973 0.27174392 . . . 1 147 ASP N 25015 1 137 . 1 1 148 148 ARG N N 15 15.051433 0.1526433 . . . 1 148 ARG N 25015 1 138 . 1 1 149 149 GLN N N 15 14.963371 0.10197307 . . . 1 149 GLN N 25015 1 139 . 1 1 151 151 GLU N N 15 15.276496 0.40616804 . . . 1 151 GLU N 25015 1 140 . 1 1 152 152 LEU N N 15 16.305155 0.22388234 . . . 1 152 LEU N 25015 1 141 . 1 1 153 153 THR N N 15 15.348291 0.14355119 . . . 1 153 THR N 25015 1 142 . 1 1 154 154 ALA N N 15 15.025587 0.31458185 . . . 1 154 ALA N 25015 1 143 . 1 1 155 155 GLU N N 15 15.676975 0.11285309 . . . 1 155 GLU N 25015 1 144 . 1 1 156 156 ARG N N 15 14.649008 0.33174435 . . . 1 156 ARG N 25015 1 145 . 1 1 157 157 VAL N N 15 16.011747 0.087550121 . . . 1 157 VAL N 25015 1 146 . 1 1 158 158 GLU N N 15 16.762483 0.074321807 . . . 1 158 GLU N 25015 1 147 . 1 1 159 159 LYS N N 15 16.300963 0.11696619 . . . 1 159 LYS N 25015 1 148 . 1 1 160 160 TRP N N 15 15.140832 0.22278634 . . . 1 160 TRP N 25015 1 149 . 1 1 161 161 VAL N N 15 16.218009 0.14671561 . . . 1 161 VAL N 25015 1 150 . 1 1 162 162 LYS N N 15 15.483351 0.32261607 . . . 1 162 LYS N 25015 1 151 . 1 1 163 163 GLN N N 15 15.059677 0.31707575 . . . 1 163 GLN N 25015 1 152 . 1 1 164 164 ILE N N 15 15.842656 0.068458278 . . . 1 164 ILE N 25015 1 153 . 1 1 165 165 SER N N 15 16.379295 0.24932221 . . . 1 165 SER N 25015 1 154 . 1 1 166 166 GLU N N 15 15.310557 0.3917324 . . . 1 166 GLU N 25015 1 155 . 1 1 167 167 GLU N N 15 14.942893 0.33818684 . . . 1 167 GLU N 25015 1 156 . 1 1 168 168 LEU N N 15 14.656795 0.062569345 . . . 1 168 LEU N 25015 1 157 . 1 1 169 169 HIS N N 15 14.506185 0.15458535 . . . 1 169 HIS N 25015 1 158 . 1 1 170 170 LEU N N 15 16.065305 0.10806241 . . . 1 170 LEU N 25015 1 159 . 1 1 171 171 ASP N N 15 13.552571 0.034320331 . . . 1 171 ASP N 25015 1 160 . 1 1 172 172 GLU N N 15 12.039622 0.17276232 . . . 1 172 GLU N 25015 1 161 . 1 1 174 174 LEU N N 15 11.728302 0.14099984 . . . 1 174 LEU N 25015 1 162 . 1 1 175 175 ASN N N 15 8.00834 0.072681027 . . . 1 175 ASN N 25015 1 163 . 1 1 176 176 ALA N N 15 4.1120328 0.13868727 . . . 1 176 ALA N 25015 1 stop_ save_