data_17012 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17012 _Entry.Title ; Backbone Amide relaxation parameters for mutant L75F Tryptophan Repressor ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-06-21 _Entry.Accession_date 2010-06-21 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Anupam Goel . . . 17012 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID heteronucl_NOEs 1 17012 heteronucl_T1_relaxation 1 17012 heteronucl_T2_relaxation 1 17012 order_parameters 1 17012 spectral_density_values 1 17012 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID 'heteronuclear NOE values' 92 17012 'order parameters' 88 17012 'spectral density values' 92 17012 'T1 relaxation values' 92 17012 'T2 relaxation values' 92 17012 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 4 . . 2011-03-29 2010-06-21 update BMRB 'added tags for tau e, f, and s units with values of ps' 17012 3 . . 2010-09-15 2010-06-21 update BMRB 'complete entry citation, etc.' 17012 2 . . 2010-08-20 2010-06-21 update BMRB 'update entry citation' 17012 1 . . 2010-07-09 2010-06-21 original author 'original release' 17012 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17010 'Wild Type Tryptophan Repressor' 17012 BMRB 17013 'mutant A77V Tryptophan Repressor' 17012 BMRB 17041 'Tryptophan repressor protein in holo-form' 17012 BMRB 17046 'Tryptophan repressor L75F mutant in holo-form' 17012 BMRB 17047 'Tryptophan repressor A77V mutant protein in holo-form' 17012 stop_ save_ ############### # Citations # ############### save_apo-TrpR_dynamics _Citation.Sf_category citations _Citation.Sf_framecode apo-TrpR_dynamics _Citation.Entry_ID 17012 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20718459 _Citation.Full_citation . _Citation.Title 'Backbone Amide Dynamics Studies of Apo-L75F-TrpR, a Temperature-Sensitive Mutant of the Tryptophan Repressor Protein (TrpR): Comparison with the (15)N NMR Relaxation Profiles of Wild-Type and A77V Mutant Apo-TrpR Repressors.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 49 _Citation.Journal_issue 37 _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 8006 _Citation.Page_last 8019 _Citation.Year 2010 _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 Anupam Goel . . . 17012 1 2 Brian Tripet . P. . 17012 1 3 Robert Tyler . C. . 17012 1 4 Lucas Nebert . D. . 17012 1 5 Valerie Copie . . . 17012 1 stop_ save_ save_apo-L75F-TrpR_NMR_structure _Citation.Sf_category citations _Citation.Sf_framecode apo-L75F-TrpR_NMR_structure _Citation.Entry_ID 17012 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 12356295 _Citation.Full_citation . _Citation.Title 'Three-dimensional solution NMR structure of Apo-L75F-TrpR, a temperature-sensitive mutant of the tryptophan repressor protein.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 41 _Citation.Journal_issue 40 _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 11954 _Citation.Page_last 11962 _Citation.Year 2002 _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 Robert Tyler . . . 17012 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17012 _Assembly.ID 1 _Assembly.Name 'Tryptophan apo-repressor' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds yes _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 24710.2 _Assembly.Enzyme_commission_number . _Assembly.Details 'homodimer formed by hydrophobic interaction between protomer units' _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 'Tryptophan apo-repressor, chain 1' 1 $apo-L75F-TrpR A . yes native no no . . . 17012 1 2 'Tryptophan apo-repressor, chain 2' 1 $apo-L75F-TrpR B . yes native no no . . . 17012 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1wrt . . 'solution NMR' . . . 17012 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_apo-L75F-TrpR _Entity.Sf_category entity _Entity.Sf_framecode apo-L75F-TrpR _Entity.Entry_ID 17012 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name apo-L75F-TrpR _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 ; MAQQSPYSAAMAEQRHQEWL RFVDLLKNAYQNDLHLPLLN LMLTPDEREALGTRVRIVEE LLRGEMSQRELKNEFGAGIA TITRGSNSLKAAPVELRQWL EEVLLKSD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'sample studied as a homodimer. sequence provided is for one protomer.' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer yes _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 108 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'Tryptophan repressor (temperature sensitive mutant) in apo-form (no L-Trp bound)' _Entity.Mutation L75F _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12389.1 _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 17010 . apo-TrpR . . . . . 100.00 108 99.07 99.07 6.40e-70 . . . . 17012 1 2 no BMRB 17013 . apo-A77V-TrpR . . . . . 100.00 108 98.15 98.15 2.56e-69 . . . . 17012 1 3 no BMRB 17041 . TrpR . . . . . 99.07 113 99.07 99.07 5.05e-69 . . . . 17012 1 4 no BMRB 17046 . TrpR_L75F . . . . . 99.07 113 100.00 100.00 4.38e-70 . . . . 17012 1 5 no BMRB 17047 . TrpR_A77V . . . . . 99.07 113 98.13 98.13 1.85e-68 . . . . 17012 1 6 no BMRB 2040 . "trp repressor" . . . . . 99.07 107 98.13 99.07 1.97e-68 . . . . 17012 1 7 no BMRB 2042 . "trp repressor" . . . . . 99.07 107 98.13 99.07 1.97e-68 . . . . 17012 1 8 no BMRB 2043 . "trp repressor" . . . . . 99.07 107 98.13 99.07 1.97e-68 . . . . 17012 1 9 no BMRB 2074 . "trp repressor" . . . . . 99.07 107 98.13 99.07 1.97e-68 . . . . 17012 1 10 no BMRB 2173 . "trp repressor" . . . . . 99.07 107 98.13 99.07 1.97e-68 . . . . 17012 1 11 no BMRB 2209 . "trp repressor" . . . . . 99.07 107 98.13 99.07 1.97e-68 . . . . 17012 1 12 no BMRB 2764 . "trp repressor" . . . . . 99.07 107 98.13 99.07 1.97e-68 . . . . 17012 1 13 no BMRB 441 . "trp repressor" . . . . . 99.07 107 99.07 99.07 4.62e-69 . . . . 17012 1 14 no BMRB 442 . "trp repressor" . . . . . 99.07 107 99.07 99.07 4.62e-69 . . . . 17012 1 15 no PDB 1CO0 . "Nmr Study Of Trp Repressor-Mtr Operator Dna Complex" . . . . . 99.07 107 99.07 99.07 4.62e-69 . . . . 17012 1 16 no PDB 1JHG . "Trp Repressor Mutant V58i" . . . . . 93.52 101 98.02 99.01 1.29e-63 . . . . 17012 1 17 no PDB 1MI7 . "Crystal Structure Of Domain Swapped Trp Aporepressor In 30%(VV) Isopropanol" . . . . . 99.07 107 99.07 99.07 4.62e-69 . . . . 17012 1 18 no PDB 1RCS . "Nmr Study Of Trp Repressor-Operator Dna Complex" . . . . . 97.22 105 99.05 99.05 1.61e-67 . . . . 17012 1 19 no PDB 1TRO . "Crystal Structure Of Trp Repressor Operator Complex At Atomic Resolution" . . . . . 100.00 108 98.15 99.07 2.61e-69 . . . . 17012 1 20 no PDB 1TRR . "Tandem Binding In Crystals Of A Trp RepressorOPERATOR HALF- Site Complex" . . . . . 99.07 107 98.13 99.07 1.97e-68 . . . . 17012 1 21 no PDB 1WRP . "Flexibility Of The Dna-binding Domains Of Trp Repressor" . . . . . 99.07 107 99.07 99.07 4.62e-69 . . . . 17012 1 22 no PDB 1WRS . "Nmr Study Of Holo Trp Repressor" . . . . . 97.22 105 99.05 99.05 1.61e-67 . . . . 17012 1 23 no PDB 1WRT . "Nmr Study Of Apo Trp Repressor" . . . . . 97.22 105 99.05 99.05 1.61e-67 . . . . 17012 1 24 no PDB 1ZT9 . "E. Coli Trp Repressor, Tetragonal Crystal Form" . . . . . 99.07 107 99.07 99.07 4.62e-69 . . . . 17012 1 25 no PDB 2OZ9 . "E. Coli Trp Holorepressor, Orthorhombic Crystal Form" . . . . . 99.07 107 99.07 99.07 4.62e-69 . . . . 17012 1 26 no PDB 2XDI . "Tryptophan Repressor With L75f Mutation In Its Apo Form (no L-tryptophan Bound)" . . . . . 99.07 107 100.00 100.00 5.44e-70 . . . . 17012 1 27 no PDB 3SSW . "E. Coli Trp Aporepressor" . . . . . 99.07 107 99.07 99.07 4.62e-69 . . . . 17012 1 28 no PDB 3SSX . "E. Coli Trp Aporeporessor L75f Mutant" . . . . . 99.07 107 100.00 100.00 5.44e-70 . . . . 17012 1 29 no PDB 3WRP . "Flexibility Of The Dna-Binding Domains Of Trp Repressor" . . . . . 100.00 108 99.07 99.07 6.40e-70 . . . . 17012 1 30 no DBJ BAB38774 . "regulator for trp operon and aroH [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 108 99.07 99.07 6.40e-70 . . . . 17012 1 31 no DBJ BAE78382 . "DNA-binding transcriptional repressor, tryptophan-binding [Escherichia coli str. K12 substr. W3110]" . . . . . 100.00 108 99.07 99.07 6.40e-70 . . . . 17012 1 32 no DBJ BAG80193 . "tryptophan operon repressor [Escherichia coli SE11]" . . . . . 100.00 108 99.07 99.07 6.40e-70 . . . . 17012 1 33 no DBJ BAI28718 . "DNA-binding transcriptional repressor TrpR, tryptophan-binding [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 108 99.07 99.07 6.40e-70 . . . . 17012 1 34 no DBJ BAI33927 . "DNA-binding transcriptional repressor TrpR, tryptophan-binding [Escherichia coli O103:H2 str. 12009]" . . . . . 100.00 108 99.07 99.07 6.40e-70 . . . . 17012 1 35 no EMBL CAP78881 . "Trp operon repressor [Escherichia coli LF82]" . . . . . 100.00 108 98.15 99.07 1.99e-69 . . . . 17012 1 36 no EMBL CAQ34751 . "TrpR transcriptional repressor [Escherichia coli BL21(DE3)]" . . . . . 100.00 108 99.07 99.07 6.40e-70 . . . . 17012 1 37 no EMBL CAQ91905 . "DNA-binding transcriptional repressor, tryptophan-binding [Escherichia fergusonii ATCC 35469]" . . . . . 98.15 108 99.06 99.06 3.47e-68 . . . . 17012 1 38 no EMBL CAR01357 . "DNA-binding transcriptional repressor, tryptophan-binding [Escherichia coli IAI1]" . . . . . 100.00 108 99.07 99.07 6.40e-70 . . . . 17012 1 39 no EMBL CAR06215 . "DNA-binding transcriptional repressor, tryptophan-binding [Escherichia coli S88]" . . . . . 100.00 108 98.15 99.07 1.99e-69 . . . . 17012 1 40 no GB AAA72140 . "trp operon repressor protein (trpR) [Escherichia coli]" . . . . . 100.00 108 99.07 99.07 6.40e-70 . . . . 17012 1 41 no GB AAA97289 . "CG Site No. 68; alternate gene name Rtry [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 108 99.07 99.07 6.40e-70 . . . . 17012 1 42 no GB AAC77346 . "transcriptional repressor, tryptophan-binding [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 108 99.07 99.07 6.40e-70 . . . . 17012 1 43 no GB AAG59573 . "regulator for trp operon and aroH; trp aporepressor [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 108 99.07 99.07 6.40e-70 . . . . 17012 1 44 no GB AAN45839 . "regulator for trp operon and aroH; trp aporepressor [Shigella flexneri 2a str. 301]" . . . . . 100.00 108 99.07 99.07 6.40e-70 . . . . 17012 1 45 no REF NP_313378 . "Trp operon repressor [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 108 99.07 99.07 6.40e-70 . . . . 17012 1 46 no REF NP_418810 . "transcriptional repressor, tryptophan-binding [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 108 99.07 99.07 6.40e-70 . . . . 17012 1 47 no REF NP_710132 . "Trp operon repressor [Shigella flexneri 2a str. 301]" . . . . . 100.00 108 99.07 99.07 6.40e-70 . . . . 17012 1 48 no REF WP_000068670 . "MULTISPECIES: Trp operon repressor [Escherichia]" . . . . . 100.00 108 98.15 99.07 2.61e-69 . . . . 17012 1 49 no REF WP_000068671 . "MULTISPECIES: Trp operon repressor [Escherichia]" . . . . . 100.00 108 97.22 98.15 2.61e-68 . . . . 17012 1 50 no SP A1AJW2 . "RecName: Full=Trp operon repressor" . . . . . 100.00 108 98.15 99.07 1.99e-69 . . . . 17012 1 51 no SP A7ZVT5 . "RecName: Full=Trp operon repressor" . . . . . 100.00 108 99.07 99.07 6.40e-70 . . . . 17012 1 52 no SP A8A8C2 . "RecName: Full=Trp operon repressor" . . . . . 100.00 108 99.07 99.07 6.40e-70 . . . . 17012 1 53 no SP B1IS26 . "RecName: Full=Trp operon repressor" . . . . . 100.00 108 99.07 99.07 6.40e-70 . . . . 17012 1 54 no SP B1LEK0 . "RecName: Full=Trp operon repressor" . . . . . 99.07 108 97.20 98.13 1.14e-67 . . . . 17012 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Loss of repression at/above 42 degree Celsius temperature' 17012 1 'Regulation of L-Tryptophan expression' 17012 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 . MET . 17012 1 2 . ALA . 17012 1 3 . GLN . 17012 1 4 . GLN . 17012 1 5 . SER . 17012 1 6 . PRO . 17012 1 7 . TYR . 17012 1 8 . SER . 17012 1 9 . ALA . 17012 1 10 . ALA . 17012 1 11 . MET . 17012 1 12 . ALA . 17012 1 13 . GLU . 17012 1 14 . GLN . 17012 1 15 . ARG . 17012 1 16 . HIS . 17012 1 17 . GLN . 17012 1 18 . GLU . 17012 1 19 . TRP . 17012 1 20 . LEU . 17012 1 21 . ARG . 17012 1 22 . PHE . 17012 1 23 . VAL . 17012 1 24 . ASP . 17012 1 25 . LEU . 17012 1 26 . LEU . 17012 1 27 . LYS . 17012 1 28 . ASN . 17012 1 29 . ALA . 17012 1 30 . TYR . 17012 1 31 . GLN . 17012 1 32 . ASN . 17012 1 33 . ASP . 17012 1 34 . LEU . 17012 1 35 . HIS . 17012 1 36 . LEU . 17012 1 37 . PRO . 17012 1 38 . LEU . 17012 1 39 . LEU . 17012 1 40 . ASN . 17012 1 41 . LEU . 17012 1 42 . MET . 17012 1 43 . LEU . 17012 1 44 . THR . 17012 1 45 . PRO . 17012 1 46 . ASP . 17012 1 47 . GLU . 17012 1 48 . ARG . 17012 1 49 . GLU . 17012 1 50 . ALA . 17012 1 51 . LEU . 17012 1 52 . GLY . 17012 1 53 . THR . 17012 1 54 . ARG . 17012 1 55 . VAL . 17012 1 56 . ARG . 17012 1 57 . ILE . 17012 1 58 . VAL . 17012 1 59 . GLU . 17012 1 60 . GLU . 17012 1 61 . LEU . 17012 1 62 . LEU . 17012 1 63 . ARG . 17012 1 64 . GLY . 17012 1 65 . GLU . 17012 1 66 . MET . 17012 1 67 . SER . 17012 1 68 . GLN . 17012 1 69 . ARG . 17012 1 70 . GLU . 17012 1 71 . LEU . 17012 1 72 . LYS . 17012 1 73 . ASN . 17012 1 74 . GLU . 17012 1 75 . PHE . 17012 1 76 . GLY . 17012 1 77 . ALA . 17012 1 78 . GLY . 17012 1 79 . ILE . 17012 1 80 . ALA . 17012 1 81 . THR . 17012 1 82 . ILE . 17012 1 83 . THR . 17012 1 84 . ARG . 17012 1 85 . GLY . 17012 1 86 . SER . 17012 1 87 . ASN . 17012 1 88 . SER . 17012 1 89 . LEU . 17012 1 90 . LYS . 17012 1 91 . ALA . 17012 1 92 . ALA . 17012 1 93 . PRO . 17012 1 94 . VAL . 17012 1 95 . GLU . 17012 1 96 . LEU . 17012 1 97 . ARG . 17012 1 98 . GLN . 17012 1 99 . TRP . 17012 1 100 . LEU . 17012 1 101 . GLU . 17012 1 102 . GLU . 17012 1 103 . VAL . 17012 1 104 . LEU . 17012 1 105 . LEU . 17012 1 106 . LYS . 17012 1 107 . SER . 17012 1 108 . ASP . 17012 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 17012 1 . ALA 2 2 17012 1 . GLN 3 3 17012 1 . GLN 4 4 17012 1 . SER 5 5 17012 1 . PRO 6 6 17012 1 . TYR 7 7 17012 1 . SER 8 8 17012 1 . ALA 9 9 17012 1 . ALA 10 10 17012 1 . MET 11 11 17012 1 . ALA 12 12 17012 1 . GLU 13 13 17012 1 . GLN 14 14 17012 1 . ARG 15 15 17012 1 . HIS 16 16 17012 1 . GLN 17 17 17012 1 . GLU 18 18 17012 1 . TRP 19 19 17012 1 . LEU 20 20 17012 1 . ARG 21 21 17012 1 . PHE 22 22 17012 1 . VAL 23 23 17012 1 . ASP 24 24 17012 1 . LEU 25 25 17012 1 . LEU 26 26 17012 1 . LYS 27 27 17012 1 . ASN 28 28 17012 1 . ALA 29 29 17012 1 . TYR 30 30 17012 1 . GLN 31 31 17012 1 . ASN 32 32 17012 1 . ASP 33 33 17012 1 . LEU 34 34 17012 1 . HIS 35 35 17012 1 . LEU 36 36 17012 1 . PRO 37 37 17012 1 . LEU 38 38 17012 1 . LEU 39 39 17012 1 . ASN 40 40 17012 1 . LEU 41 41 17012 1 . MET 42 42 17012 1 . LEU 43 43 17012 1 . THR 44 44 17012 1 . PRO 45 45 17012 1 . ASP 46 46 17012 1 . GLU 47 47 17012 1 . ARG 48 48 17012 1 . GLU 49 49 17012 1 . ALA 50 50 17012 1 . LEU 51 51 17012 1 . GLY 52 52 17012 1 . THR 53 53 17012 1 . ARG 54 54 17012 1 . VAL 55 55 17012 1 . ARG 56 56 17012 1 . ILE 57 57 17012 1 . VAL 58 58 17012 1 . GLU 59 59 17012 1 . GLU 60 60 17012 1 . LEU 61 61 17012 1 . LEU 62 62 17012 1 . ARG 63 63 17012 1 . GLY 64 64 17012 1 . GLU 65 65 17012 1 . MET 66 66 17012 1 . SER 67 67 17012 1 . GLN 68 68 17012 1 . ARG 69 69 17012 1 . GLU 70 70 17012 1 . LEU 71 71 17012 1 . LYS 72 72 17012 1 . ASN 73 73 17012 1 . GLU 74 74 17012 1 . PHE 75 75 17012 1 . GLY 76 76 17012 1 . ALA 77 77 17012 1 . GLY 78 78 17012 1 . ILE 79 79 17012 1 . ALA 80 80 17012 1 . THR 81 81 17012 1 . ILE 82 82 17012 1 . THR 83 83 17012 1 . ARG 84 84 17012 1 . GLY 85 85 17012 1 . SER 86 86 17012 1 . ASN 87 87 17012 1 . SER 88 88 17012 1 . LEU 89 89 17012 1 . LYS 90 90 17012 1 . ALA 91 91 17012 1 . ALA 92 92 17012 1 . PRO 93 93 17012 1 . VAL 94 94 17012 1 . GLU 95 95 17012 1 . LEU 96 96 17012 1 . ARG 97 97 17012 1 . GLN 98 98 17012 1 . TRP 99 99 17012 1 . LEU 100 100 17012 1 . GLU 101 101 17012 1 . GLU 102 102 17012 1 . VAL 103 103 17012 1 . LEU 104 104 17012 1 . LEU 105 105 17012 1 . LYS 106 106 17012 1 . SER 107 107 17012 1 . ASP 108 108 17012 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 17012 _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 $apo-L75F-TrpR . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 17012 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 17012 _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 $apo-L75F-TrpR . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pJPR2 . . . . . . 17012 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17012 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'All samples had the same conditions' _Sample.Aggregate_sample_number 2 _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17012 1 2 D2O '[U-100% 2H]' . . . . . . 5 . . % . . . . 17012 1 3 PMSF 'natural abundance' . . . . . . 0.1 . . mM . . . . 17012 1 4 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 17012 1 5 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 17012 1 6 'sodium chloride' 'natural abundance' . . . . . . 500 . . mM . . . . 17012 1 7 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 17012 1 8 apo-L75F-TrpR '[U-100% 13C; U-100% 15N]' . . 1 $apo-L75F-TrpR . . 1 . . mM . . . . 17012 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 17012 _Sample_condition_list.ID 1 _Sample_condition_list.Details ; 50 mM potassium phosphate 500 mM NaCl ; loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 1 . M 17012 1 pH 5.7 . pH 17012 1 pressure 1 . atm 17012 1 temperature 318 . K 17012 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17012 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17012 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17012 1 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 17012 _Software.ID 2 _Software.Name NMRDraw _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' . . 17012 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17012 2 processing 17012 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17012 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17012 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17012 3 'data analysis' 17012 3 'peak picking' 17012 3 stop_ save_ save_ModelFree _Software.Sf_category software _Software.Sf_framecode ModelFree _Software.Entry_ID 17012 _Software.ID 4 _Software.Name ModelFree _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Palmer . . 17012 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17012 4 'geometry optimization' 17012 4 refinement 17012 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17012 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17012 _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 DRX . 600 . . . 17012 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 17012 _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 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17012 1 2 '2D 15N T1' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17012 1 3 '2D 15N T2 interleaved' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17012 1 4 '2D 15N {1H} nOe' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17012 1 stop_ save_ ############################# # Spectral density values # ############################# save_spectral_density_apoL75F _Spectral_density_list.Sf_category spectral_density_values _Spectral_density_list.Sf_framecode spectral_density_apoL75F _Spectral_density_list.Entry_ID 17012 _Spectral_density_list.ID 1 _Spectral_density_list.Sample_condition_list_ID 1 _Spectral_density_list.Sample_condition_list_label $sample_conditions_1 _Spectral_density_list.Details . _Spectral_density_list.Text_data_format . _Spectral_density_list.Text_data . loop_ _Spectral_density_experiment.Experiment_ID _Spectral_density_experiment.Experiment_name _Spectral_density_experiment.Sample_ID _Spectral_density_experiment.Sample_label _Spectral_density_experiment.Sample_state _Spectral_density_experiment.Entry_ID _Spectral_density_experiment.Spectral_density_list_ID 2 '2D 15N T1' . . . 17012 1 3 '2D 15N T2 interleaved' . . . 17012 1 4 '2D 15N {1H} nOe' . . . 17012 1 stop_ loop_ _Spectral_density.ID _Spectral_density.Assembly_atom_ID _Spectral_density.Entity_assembly_ID _Spectral_density.Entity_ID _Spectral_density.Comp_index_ID _Spectral_density.Seq_ID _Spectral_density.Comp_ID _Spectral_density.Atom_ID _Spectral_density.Atom_type _Spectral_density.Atom_isotope_number _Spectral_density.W_zero_val _Spectral_density.W_zero_val_err _Spectral_density.W_1H_val _Spectral_density.W_1H_val_err _Spectral_density.W_13C_val _Spectral_density.W_13C_val_err _Spectral_density.W_15N_val _Spectral_density.W_15N_val_err _Spectral_density.Resonance_ID _Spectral_density.Auth_entity_assembly_ID _Spectral_density.Auth_seq_ID _Spectral_density.Auth_comp_ID _Spectral_density.Auth_atom_ID _Spectral_density.Entry_ID _Spectral_density.Spectral_density_list_ID 1 . 1 1 5 5 SER . . . 0.68 0.06 35.40 1.84 . . 0.26 0.01 . 1 5 SER . 17012 1 2 . 1 1 7 7 TYR . . . 1.01 0.07 24.50 1.10 . . 0.28 0.01 . 1 7 TYR . 17012 1 3 . 1 1 8 8 SER . . . 1.38 0.06 22.00 1.71 . . 0.30 0.02 . 1 8 SER . 17012 1 4 . 1 1 9 9 ALA . . . 2.05 0.09 17.30 0.87 . . 0.31 0.01 . 1 9 ALA . 17012 1 5 . 1 1 10 10 ALA . . . 2.25 0.07 15.20 0.95 . . 0.29 0.01 . 1 10 ALA . 17012 1 6 . 1 1 11 11 MET . . . 2.51 0.08 15.70 0.90 . . 0.33 0.02 . 1 11 MET . 17012 1 7 . 1 1 12 12 ALA . . . 3.25 0.05 12.70 1.54 . . 0.31 0.03 . 1 12 ALA . 17012 1 8 . 1 1 13 13 GLU . . . 3.50 0.05 7.52 3.07 . . 0.33 0.05 . 1 13 GLU . 17012 1 9 . 1 1 14 14 GLN . . . 3.61 0.10 11.00 1.14 . . 0.33 0.03 . 1 14 GLN . 17012 1 10 . 1 1 15 15 ARG . . . 3.86 0.14 8.11 1.22 . . 0.31 0.01 . 1 15 ARG . 17012 1 11 . 1 1 16 16 HIS . . . 5.12 0.09 5.29 0.45 . . 0.29 0.01 . 1 16 HIS . 17012 1 12 . 1 1 17 17 GLN . . . 4.71 0.07 3.68 1.27 . . 0.29 0.01 . 1 17 GLN . 17012 1 13 . 1 1 18 18 GLU . . . 4.50 0.05 6.14 0.68 . . 0.31 0.03 . 1 18 GLU . 17012 1 14 . 1 1 19 19 TRP . . . 4.81 0.12 5.61 1.18 . . 0.30 0.01 . 1 19 TRP . 17012 1 15 . 1 1 20 20 LEU . . . 5.03 0.17 3.21 0.59 . . 0.30 0.02 . 1 20 LEU . 17012 1 16 . 1 1 21 21 ARG . . . 4.83 0.13 3.45 0.94 . . 0.31 0.02 . 1 21 ARG . 17012 1 17 . 1 1 22 22 PHE . . . 4.76 0.13 4.06 1.17 . . 0.32 0.06 . 1 22 PHE . 17012 1 18 . 1 1 23 23 VAL . . . 4.99 0.10 2.97 1.94 . . 0.30 0.01 . 1 23 VAL . 17012 1 19 . 1 1 24 24 ASP . . . 5.45 0.08 4.23 0.52 . . 0.29 0.01 . 1 24 ASP . 17012 1 20 . 1 1 25 25 LEU . . . 4.83 0.03 3.47 1.91 . . 0.33 0.03 . 1 25 LEU . 17012 1 21 . 1 1 27 27 LYS . . . 5.98 0.35 3.16 2.45 . . 0.30 0.02 . 1 27 LYS . 17012 1 22 . 1 1 28 28 ASN . . . 5.07 0.06 3.34 0.19 . . 0.30 0.01 . 1 28 ASN . 17012 1 23 . 1 1 29 29 ALA . . . 4.64 0.11 2.60 0.43 . . 0.32 0.01 . 1 29 ALA . 17012 1 24 . 1 1 30 30 TYR . . . 4.99 0.11 3.98 0.40 . . 0.29 0.02 . 1 30 TYR . 17012 1 25 . 1 1 31 31 GLN . . . 4.84 0.17 3.09 0.45 . . 0.31 0.02 . 1 31 GLN . 17012 1 26 . 1 1 32 32 ASN . . . 4.56 0.08 3.62 0.77 . . 0.29 0.02 . 1 32 ASN . 17012 1 27 . 1 1 33 33 ASP . . . 5.11 0.04 3.21 0.75 . . 0.30 0.02 . 1 33 ASP . 17012 1 28 . 1 1 34 34 LEU . . . 4.71 0.07 3.68 1.09 . . 0.29 0.01 . 1 34 LEU . 17012 1 29 . 1 1 35 35 HIS . . . 5.00 0.16 1.95 1.21 . . 0.31 0.01 . 1 35 HIS . 17012 1 30 . 1 1 36 36 LEU . . . 4.98 0.11 4.26 0.20 . . 0.31 0.01 . 1 36 LEU . 17012 1 31 . 1 1 38 38 LEU . . . 4.97 0.01 3.70 0.37 . . 0.31 0.01 . 1 38 LEU . 17012 1 32 . 1 1 39 39 LEU . . . 5.08 0.05 1.68 0.21 . . 0.30 0.02 . 1 39 LEU . 17012 1 33 . 1 1 40 40 ASN . . . 4.82 0.06 4.95 1.08 . . 0.34 0.07 . 1 40 ASN . 17012 1 34 . 1 1 41 41 LEU . . . 4.79 0.09 4.26 0.65 . . 0.31 0.02 . 1 41 LEU . 17012 1 35 . 1 1 42 42 MET . . . 5.05 0.28 2.64 1.73 . . 0.30 0.02 . 1 42 MET . 17012 1 36 . 1 1 43 43 LEU . . . 4.84 0.05 5.22 2.07 . . 0.31 0.02 . 1 43 LEU . 17012 1 37 . 1 1 44 44 THR . . . 4.71 0.04 3.35 0.78 . . 0.28 0.02 . 1 44 THR . 17012 1 38 . 1 1 46 46 ASP . . . 5.08 0.11 3.35 1.68 . . 0.28 0.02 . 1 46 ASP . 17012 1 39 . 1 1 47 47 GLU . . . 5.34 0.12 3.88 0.55 . . 0.28 0.01 . 1 47 GLU . 17012 1 40 . 1 1 48 48 ARG . . . 4.95 0.06 2.60 0.22 . . 0.28 0.02 . 1 48 ARG . 17012 1 41 . 1 1 49 49 GLU . . . 5.14 0.07 4.23 1.13 . . 0.28 0.03 . 1 49 GLU . 17012 1 42 . 1 1 50 50 ALA . . . 5.13 0.24 3.84 1.05 . . 0.28 0.02 . 1 50 ALA . 17012 1 43 . 1 1 52 52 GLY . . . 5.05 0.15 3.93 0.45 . . 0.30 0.02 . 1 52 GLY . 17012 1 44 . 1 1 53 53 THR . . . 4.66 0.18 6.79 2.52 . . 0.32 0.03 . 1 53 THR . 17012 1 45 . 1 1 54 54 ARG . . . 5.43 0.04 1.13 0.57 . . 0.31 0.02 . 1 54 ARG . 17012 1 46 . 1 1 55 55 VAL . . . 5.16 0.06 4.95 1.62 . . 0.31 0.06 . 1 55 VAL . 17012 1 47 . 1 1 56 56 ARG . . . 5.26 0.17 4.56 1.21 . . 0.33 0.08 . 1 56 ARG . 17012 1 48 . 1 1 58 58 VAL . . . 5.37 0.09 1.46 4.27 . . 0.30 0.02 . 1 58 VAL . 17012 1 49 . 1 1 59 59 GLU . . . 5.04 0.12 3.10 0.74 . . 0.29 0.01 . 1 59 GLU . 17012 1 50 . 1 1 60 60 GLU . . . 5.60 0.16 3.56 1.68 . . 0.28 0.02 . 1 60 GLU . 17012 1 51 . 1 1 61 61 LEU . . . 5.66 0.47 4.38 0.50 . . 0.30 0.03 . 1 61 LEU . 17012 1 52 . 1 1 62 62 LEU . . . 5.18 0.08 2.74 0.56 . . 0.29 0.01 . 1 62 LEU . 17012 1 53 . 1 1 64 64 GLY . . . 6.07 0.16 5.43 0.61 . . 0.33 0.04 . 1 64 GLY . 17012 1 54 . 1 1 65 65 GLU . . . 4.24 0.07 6.47 0.94 . . 0.30 0.04 . 1 65 GLU . 17012 1 55 . 1 1 66 66 MET . . . 3.83 0.07 6.33 0.98 . . 0.28 0.02 . 1 66 MET . 17012 1 56 . 1 1 67 67 SER . . . 4.45 0.28 7.71 2.50 . . 0.32 0.05 . 1 67 SER . 17012 1 57 . 1 1 68 68 GLN . . . 4.07 0.17 7.79 1.71 . . 0.31 0.01 . 1 68 GLN . 17012 1 58 . 1 1 69 69 ARG . . . 4.40 0.25 6.42 0.20 . . 0.29 0.01 . 1 69 ARG . 17012 1 59 . 1 1 70 70 GLU . . . 4.23 0.03 7.39 0.86 . . 0.31 0.01 . 1 70 GLU . 17012 1 60 . 1 1 71 71 LEU . . . 4.42 0.04 7.13 0.69 . . 0.31 0.01 . 1 71 LEU . 17012 1 61 . 1 1 73 73 ASN . . . 4.52 0.02 6.79 0.68 . . 0.29 0.01 . 1 73 ASN . 17012 1 62 . 1 1 74 74 GLU . . . 4.45 0.09 8.03 2.72 . . 0.36 0.01 . 1 74 GLU . 17012 1 63 . 1 1 75 75 PHE . . . 5.43 0.19 8.45 0.66 . . 0.30 0.02 . 1 75 PHE . 17012 1 64 . 1 1 76 76 GLY . . . 4.44 0.04 8.10 0.95 . . 0.28 0.01 . 1 76 GLY . 17012 1 65 . 1 1 78 78 GLY . . . 3.69 0.18 7.99 1.57 . . 0.30 0.01 . 1 78 GLY . 17012 1 66 . 1 1 79 79 ILE . . . 5.48 0.09 7.05 3.56 . . 0.33 0.03 . 1 79 ILE . 17012 1 67 . 1 1 80 80 ALA . . . 4.11 0.10 6.32 1.64 . . 0.33 0.03 . 1 80 ALA . 17012 1 68 . 1 1 81 81 THR . . . 4.77 0.07 7.15 0.31 . . 0.32 0.01 . 1 81 THR . 17012 1 69 . 1 1 82 82 ILE . . . 7.31 0.06 4.87 1.39 . . 0.30 0.02 . 1 82 Ile . 17012 1 70 . 1 1 84 84 ARG . . . 3.95 0.12 8.24 0.79 . . 0.32 0.02 . 1 84 ARG . 17012 1 71 . 1 1 85 85 GLY . . . 3.76 0.06 10.70 0.75 . . 0.32 0.02 . 1 85 GLY . 17012 1 72 . 1 1 86 86 SER . . . 4.67 0.11 12.30 1.83 . . 0.30 0.03 . 1 86 SER . 17012 1 73 . 1 1 88 88 SER . . . 6.18 0.20 11.10 1.27 . . 0.30 0.03 . 1 88 SER . 17012 1 74 . 1 1 89 89 LEU . . . 5.32 0.12 8.70 1.76 . . 0.30 0.01 . 1 89 LEU . 17012 1 75 . 1 1 90 90 LYS . . . 4.73 0.33 6.40 1.58 . . 0.28 0.03 . 1 90 LYS . 17012 1 76 . 1 1 91 91 ALA . . . 4.43 0.09 7.04 0.41 . . 0.30 0.01 . 1 91 ALA . 17012 1 77 . 1 1 92 92 ALA . . . 4.52 0.03 5.39 1.08 . . 0.26 0.02 . 1 92 ALA . 17012 1 78 . 1 1 94 94 VAL . . . 4.61 0.18 5.47 1.67 . . 0.29 0.02 . 1 94 VAL . 17012 1 79 . 1 1 95 95 GLU . . . 4.90 0.09 4.16 0.24 . . 0.31 0.01 . 1 95 GLU . 17012 1 80 . 1 1 96 96 LEU . . . 4.79 0.14 3.96 0.68 . . 0.30 0.03 . 1 96 LEU . 17012 1 81 . 1 1 97 97 ARG . . . 4.71 0.09 2.92 0.61 . . 0.29 0.03 . 1 97 ARG . 17012 1 82 . 1 1 98 98 GLN . . . 5.08 0.04 3.98 0.47 . . 0.29 0.02 . 1 98 GLN . 17012 1 83 . 1 1 99 99 TRP . . . 4.84 0.08 3.80 0.74 . . 0.29 0.04 . 1 99 TRP . 17012 1 84 . 1 1 100 100 LEU . . . 4.92 0.09 4.93 1.00 . . 0.29 0.02 . 1 100 LEU . 17012 1 85 . 1 1 101 101 GLU . . . 4.87 0.05 5.24 0.47 . . 0.29 0.02 . 1 101 Glu . 17012 1 86 . 1 1 102 102 GLU . . . 4.80 0.04 4.45 0.28 . . 0.28 0.02 . 1 102 Glu . 17012 1 87 . 1 1 103 103 VAL . . . 4.69 0.03 3.73 0.31 . . 0.28 0.02 . 1 103 VAL . 17012 1 88 . 1 1 104 104 LEU . . . 4.60 0.17 4.19 0.07 . . 0.30 0.01 . 1 104 LEU . 17012 1 89 . 1 1 105 105 LEU . . . 4.55 0.11 6.38 1.84 . . 0.30 0.06 . 1 105 LEU . 17012 1 90 . 1 1 106 106 LYS . . . 2.13 0.08 14.60 1.72 . . 0.29 0.03 . 1 106 LYS . 17012 1 91 . 1 1 107 107 SER . . . 0.69 0.05 25.00 0.80 . . 0.25 0.01 . 1 107 SER . 17012 1 92 . 1 1 108 108 ASP . . . 0.35 0.09 25.50 2.18 . . 0.14 0.01 . 1 108 ASP . 17012 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_het_nOe_apoL75F _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode het_nOe_apoL75F _Heteronucl_NOE_list.Entry_ID 17012 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 200000 _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 4 '2D 15N {1H} nOe' . . . 17012 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 4 4 GLN N N 15 . 1 1 4 4 GLN H H 1 -1.38 0.06 . . 1 4 Gln N 1 4 Gln H 17012 1 2 . 1 1 5 5 SER N N 15 . 1 1 5 5 SER H H 1 -0.65 0.14 . . 1 5 Ser N 1 5 Ser H 17012 1 3 . 1 1 7 7 TYR N N 15 . 1 1 7 7 TYR H H 1 -0.21 0 . . 1 7 Tyr N 1 7 Tyr H 17012 1 4 . 1 1 8 8 SER N N 15 . 1 1 8 8 SER H H 1 -0.02 0.04 . . 1 8 Ser N 1 8 Ser H 17012 1 5 . 1 1 9 9 ALA N N 15 . 1 1 9 9 ALA H H 1 0.15 0.03 . . 1 9 Ala N 1 9 Ala H 17012 1 6 . 1 1 10 10 ALA N N 15 . 1 1 10 10 ALA H H 1 0.23 0.02 . . 1 10 Ala N 1 10 Ala H 17012 1 7 . 1 1 11 11 MET N N 15 . 1 1 11 11 MET H H 1 0.32 0.03 . . 1 11 Met N 1 11 Met H 17012 1 8 . 1 1 12 12 ALA N N 15 . 1 1 12 12 ALA H H 1 0.39 0.03 . . 1 12 Ala N 1 12 Ala H 17012 1 9 . 1 1 13 13 GLU N N 15 . 1 1 13 13 GLU H H 1 0.56 0.12 . . 1 13 Glu N 1 13 Glu H 17012 1 10 . 1 1 14 14 GLN N N 15 . 1 1 14 14 GLN H H 1 0.51 0.03 . . 1 14 Gln N 1 14 Gln H 17012 1 11 . 1 1 15 15 ARG N N 15 . 1 1 15 15 ARG H H 1 0.62 0.05 . . 1 15 Arg N 1 15 Arg H 17012 1 12 . 1 1 16 16 HIS N N 15 . 1 1 16 16 HIS H H 1 0.77 0.07 . . 1 16 His N 1 16 His H 17012 1 13 . 1 1 17 17 GLN N N 15 . 1 1 17 17 GLN H H 1 0.77 0.06 . . 1 17 Gln N 1 17 Gln H 17012 1 14 . 1 1 18 18 GLU N N 15 . 1 1 18 18 GLU H H 1 0.74 0.06 . . 1 18 Glu N 1 18 Glu H 17012 1 15 . 1 1 19 19 TRP N N 15 . 1 1 19 19 TRP H H 1 0.76 0.07 . . 1 19 Trp N 1 19 Trp H 17012 1 16 . 1 1 20 20 LEU N N 15 . 1 1 20 20 LEU H H 1 0.82 0.02 . . 1 20 Leu N 1 20 Leu H 17012 1 17 . 1 1 21 21 ARG N N 15 . 1 1 21 21 ARG H H 1 0.81 0.04 . . 1 21 Arg N 1 21 Arg H 17012 1 18 . 1 1 22 22 PHE N N 15 . 1 1 22 22 PHE H H 1 0.78 0.04 . . 1 22 Phe N 1 22 Phe H 17012 1 19 . 1 1 23 23 VAL N N 15 . 1 1 23 23 VAL H H 1 0.85 0.06 . . 1 23 Val N 1 23 Val H 17012 1 20 . 1 1 24 24 ASP N N 15 . 1 1 24 24 ASP H H 1 0.78 0.03 . . 1 24 Asp N 1 24 Asp H 17012 1 21 . 1 1 25 25 LEU N N 15 . 1 1 25 25 LEU H H 1 0.81 0.06 . . 1 25 Leu N 1 25 Leu H 17012 1 22 . 1 1 27 27 LYS N N 15 . 1 1 27 27 LYS H H 1 0.82 0.08 . . 1 27 Lys N 1 27 Lys H 17012 1 23 . 1 1 28 28 ASN N N 15 . 1 1 28 28 ASN H H 1 0.79 0.03 . . 1 28 Asn N 1 28 Asn H 17012 1 24 . 1 1 29 29 ALA N N 15 . 1 1 29 29 ALA H H 1 0.85 0.04 . . 1 29 Ala N 1 29 Ala H 17012 1 25 . 1 1 30 30 TYR N N 15 . 1 1 30 30 TYR H H 1 0.79 0.02 . . 1 30 Tyr N 1 30 Tyr H 17012 1 26 . 1 1 31 31 GLN N N 15 . 1 1 31 31 GLN H H 1 0.81 0.04 . . 1 31 Gln N 1 31 Gln H 17012 1 27 . 1 1 32 32 ASN N N 15 . 1 1 32 32 ASN H H 1 0.8 0.03 . . 1 32 Asn N 1 32 Asn H 17012 1 28 . 1 1 33 33 ASP N N 15 . 1 1 33 33 ASP H H 1 0.83 0.02 . . 1 33 Asp N 1 33 Asp H 17012 1 29 . 1 1 34 34 LEU N N 15 . 1 1 34 34 LEU H H 1 0.78 0.05 . . 1 34 Leu N 1 34 Leu H 17012 1 30 . 1 1 35 35 HIS N N 15 . 1 1 35 35 HIS H H 1 0.86 0.07 . . 1 35 His N 1 35 His H 17012 1 31 . 1 1 36 36 LEU N N 15 . 1 1 36 36 LEU H H 1 0.76 0.03 . . 1 36 Leu N 1 36 Leu H 17012 1 32 . 1 1 38 38 LEU N N 15 . 1 1 38 38 LEU H H 1 0.78 0.04 . . 1 38 Leu N 1 38 Leu H 17012 1 33 . 1 1 40 40 ASN N N 15 . 1 1 40 40 ASN H H 1 0.79 0.05 . . 1 40 Asn N 1 40 Asn H 17012 1 34 . 1 1 41 41 LEU N N 15 . 1 1 41 41 LEU H H 1 0.79 0.04 . . 1 41 Leu N 1 41 Leu H 17012 1 35 . 1 1 42 42 MET N N 15 . 1 1 42 42 MET H H 1 0.82 0.08 . . 1 42 Met N 1 42 Met H 17012 1 36 . 1 1 43 43 LEU N N 15 . 1 1 43 43 LEU H H 1 0.77 0.08 . . 1 43 Leu N 1 43 Leu H 17012 1 37 . 1 1 44 44 THR N N 15 . 1 1 44 44 THR H H 1 0.8 0.02 . . 1 44 Thr N 1 44 Thr H 17012 1 38 . 1 1 46 46 ASP N N 15 . 1 1 46 46 ASP H H 1 0.82 0.06 . . 1 46 Asp N 1 46 Asp H 17012 1 39 . 1 1 47 47 GLU N N 15 . 1 1 47 47 GLU H H 1 0.79 0.02 . . 1 47 Glu N 1 47 Glu H 17012 1 40 . 1 1 48 48 ARG N N 15 . 1 1 48 48 ARG H H 1 0.82 0.04 . . 1 48 Arg N 1 48 Arg H 17012 1 41 . 1 1 49 49 GLU N N 15 . 1 1 49 49 GLU H H 1 0.78 0.04 . . 1 49 Glu N 1 49 Glu H 17012 1 42 . 1 1 50 50 ALA N N 15 . 1 1 50 50 ALA H H 1 0.77 0.04 . . 1 50 Ala N 1 50 Ala H 17012 1 43 . 1 1 52 52 GLY N N 15 . 1 1 52 52 GLY H H 1 0.81 0.04 . . 1 52 Gly N 1 52 Gly H 17012 1 44 . 1 1 53 53 THR N N 15 . 1 1 53 53 THR H H 1 0.68 0.09 . . 1 53 Thr N 1 53 Thr H 17012 1 45 . 1 1 54 54 ARG N N 15 . 1 1 54 54 ARG H H 1 0.89 0.07 . . 1 54 Arg N 1 54 Arg H 17012 1 46 . 1 1 55 55 VAL N N 15 . 1 1 55 55 VAL H H 1 0.77 0.04 . . 1 55 Val N 1 55 Val H 17012 1 47 . 1 1 56 56 ARG N N 15 . 1 1 56 56 ARG H H 1 0.78 0.02 . . 1 56 Arg N 1 56 Arg H 17012 1 48 . 1 1 58 58 VAL N N 15 . 1 1 58 58 VAL H H 1 0.79 0.03 . . 1 58 Val N 1 58 Val H 17012 1 49 . 1 1 59 59 GLU N N 15 . 1 1 59 59 GLU H H 1 0.78 0.09 . . 1 59 Glu N 1 59 Glu H 17012 1 50 . 1 1 60 60 GLU N N 15 . 1 1 60 60 GLU H H 1 0.8 0.09 . . 1 60 Glu N 1 60 Glu H 17012 1 51 . 1 1 61 61 LEU N N 15 . 1 1 61 61 LEU H H 1 0.77 0.01 . . 1 61 Leu N 1 61 Leu H 17012 1 52 . 1 1 62 62 LEU N N 15 . 1 1 62 62 LEU H H 1 0.82 0.06 . . 1 62 Leu N 1 62 Leu H 17012 1 53 . 1 1 64 64 GLY N N 15 . 1 1 64 64 GLY H H 1 0.74 0.05 . . 1 64 Gly N 1 64 Gly H 17012 1 54 . 1 1 65 65 GLU N N 15 . 1 1 65 65 GLU H H 1 0.66 0.02 . . 1 65 Glu N 1 65 Glu H 17012 1 55 . 1 1 66 66 MET N N 15 . 1 1 66 66 MET H H 1 0.65 0.05 . . 1 66 Met N 1 66 Met H 17012 1 56 . 1 1 67 67 SER N N 15 . 1 1 67 67 SER H H 1 0.62 0.12 . . 1 67 Ser N 1 67 Ser H 17012 1 57 . 1 1 68 68 GLN N N 15 . 1 1 68 68 GLN H H 1 0.59 0.07 . . 1 68 Gln N 1 68 Gln H 17012 1 58 . 1 1 69 69 ARG N N 15 . 1 1 69 69 ARG H H 1 0.64 0.02 . . 1 69 Arg N 1 69 Arg H 17012 1 59 . 1 1 70 70 GLU N N 15 . 1 1 70 70 GLU H H 1 0.65 0.05 . . 1 70 Glu N 1 70 Glu H 17012 1 60 . 1 1 71 71 LEU N N 15 . 1 1 71 71 LEU H H 1 0.66 0.03 . . 1 71 Leu N 1 71 Leu H 17012 1 61 . 1 1 73 73 ASN N N 15 . 1 1 73 73 ASN H H 1 0.67 0.03 . . 1 73 Asn N 1 73 Asn H 17012 1 62 . 1 1 74 74 GLU N N 15 . 1 1 74 74 GLU H H 1 0.65 0.07 . . 1 74 Glu N 1 74 Glu H 17012 1 63 . 1 1 75 75 PHE N N 15 . 1 1 75 75 PHE H H 1 0.6 0.05 . . 1 75 Phe N 1 75 Phe H 17012 1 64 . 1 1 76 76 GLY N N 15 . 1 1 76 76 GLY H H 1 0.56 0.03 . . 1 76 Gly N 1 76 Gly H 17012 1 65 . 1 1 78 78 GLY N N 15 . 1 1 78 78 GLY H H 1 0.6 0.05 . . 1 78 Gly N 1 78 Gly H 17012 1 66 . 1 1 79 79 ILE N N 15 . 1 1 79 79 ILE H H 1 0.67 0.10 . . 1 79 Ile N 1 79 Ile H 17012 1 67 . 1 1 80 80 ALA N N 15 . 1 1 80 80 ALA H H 1 0.72 0.09 . . 1 80 Ala N 1 80 Ala H 17012 1 68 . 1 1 81 81 THR N N 15 . 1 1 81 81 THR H H 1 0.63 0.02 . . 1 81 Thr N 1 81 Thr H 17012 1 69 . 1 1 82 82 ILE N N 15 . 1 1 82 82 ILE H H 1 0.72 0.11 . . 1 82 Ile N 1 82 Ile H 17012 1 70 . 1 1 84 84 ARG N N 15 . 1 1 84 84 ARG H H 1 0.6 0.02 . . 1 84 Arg N 1 84 Arg H 17012 1 71 . 1 1 85 85 GLY N N 15 . 1 1 85 85 GLY H H 1 0.5 0.04 . . 1 85 Gly N 1 85 Gly H 17012 1 72 . 1 1 86 86 SER N N 15 . 1 1 86 86 SER H H 1 0.45 0.09 . . 1 86 Ser N 1 86 Ser H 17012 1 73 . 1 1 88 88 SER N N 15 . 1 1 88 88 SER H H 1 0.52 0.1 . . 1 88 Ser N 1 88 Ser H 17012 1 74 . 1 1 89 89 LEU N N 15 . 1 1 89 89 LEU H H 1 0.62 0.1 . . 1 89 Leu N 1 89 Leu H 17012 1 75 . 1 1 90 90 LYS N N 15 . 1 1 90 90 LYS H H 1 0.48 0.2 . . 1 90 Lys N 1 90 Lys H 17012 1 76 . 1 1 91 91 ALA N N 15 . 1 1 91 91 ALA H H 1 0.64 0.02 . . 1 91 Ala N 1 91 Ala H 17012 1 77 . 1 1 92 92 ALA N N 15 . 1 1 92 92 ALA H H 1 0.68 0.04 . . 1 92 Ala N 1 92 Ala H 17012 1 78 . 1 1 94 94 VAL N N 15 . 1 1 94 94 VAL H H 1 0.71 0.06 . . 1 94 Val N 1 94 Val H 17012 1 79 . 1 1 95 95 GLU N N 15 . 1 1 95 95 GLU H H 1 0.78 0.02 . . 1 95 Glu N 1 95 Glu H 17012 1 80 . 1 1 96 96 LEU N N 15 . 1 1 96 96 LEU H H 1 0.79 0.02 . . 1 96 Leu N 1 96 Leu H 17012 1 81 . 1 1 97 97 ARG N N 15 . 1 1 97 97 ARG H H 1 0.79 0.06 . . 1 97 Arg N 1 97 Arg H 17012 1 82 . 1 1 98 98 GLN N N 15 . 1 1 98 98 GLN H H 1 0.79 0.03 . . 1 98 Gln N 1 98 Gln H 17012 1 83 . 1 1 99 99 TRP N N 15 . 1 1 99 99 TRP H H 1 0.78 0.03 . . 1 99 Trp N 1 99 Trp H 17012 1 84 . 1 1 100 100 LEU N N 15 . 1 1 100 100 LEU H H 1 0.76 0.04 . . 1 100 Leu N 1 100 Leu H 17012 1 85 . 1 1 101 101 GLU N N 15 . 1 1 101 101 GLU H H 1 0.75 0.04 . . 1 101 Glu N 1 101 Glu H 17012 1 86 . 1 1 102 102 GLU N N 15 . 1 1 102 102 GLU H H 1 0.72 0.11 . . 1 102 Glu N 1 102 Glu H 17012 1 87 . 1 1 103 103 VAL N N 15 . 1 1 103 103 VAL H H 1 0.76 0.03 . . 1 103 Val N 1 103 Val H 17012 1 88 . 1 1 104 104 LEU N N 15 . 1 1 104 104 LEU H H 1 0.77 0.01 . . 1 104 Leu N 1 104 Leu H 17012 1 89 . 1 1 105 105 LEU N N 15 . 1 1 105 105 LEU H H 1 0.7 0.05 . . 1 105 Leu N 1 105 Leu H 17012 1 90 . 1 1 106 106 LYS N N 15 . 1 1 106 106 LYS H H 1 0.29 0.09 . . 1 106 Lys N 1 106 Lys H 17012 1 91 . 1 1 107 107 SER N N 15 . 1 1 107 107 SER H H 1 -0.38 0.03 . . 1 107 Ser N 1 107 Ser H 17012 1 92 . 1 1 108 108 ASP N N 15 . 1 1 108 108 ASP H H 1 -1.13 0.12 . . 1 108 Asp N 1 108 Asp H 17012 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_15N-T1_apo-L75F-TrpR _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode 15N-T1_apo-L75F-TrpR _Heteronucl_T1_list.Entry_ID 17012 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 600 _Heteronucl_T1_list.T1_coherence_type Nz _Heteronucl_T1_list.T1_val_units 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 2 '2D 15N T1' . . . 17012 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 4 4 GLN N N 15 1093 118.9 . . 4 Gln N 17012 1 2 . 1 1 5 5 SER N N 15 776.4 34.6 . . 5 Ser N 17012 1 3 . 1 1 7 7 TYR N N 15 769.9 34.4 . . 7 Tyr N 17012 1 4 . 1 1 8 8 SER N N 15 732.5 42.1 . . 8 Ser N 17012 1 5 . 1 1 9 9 ALA N N 15 746.5 24.4 . . 9 Ala N 17012 1 6 . 1 1 10 10 ALA N N 15 779.6 21.8 . . 10 Ala N 17012 1 7 . 1 1 11 11 MET N N 15 694.3 40.9 . . 11 Met N 17012 1 8 . 1 1 12 12 ALA N N 15 753 60.1 . . 12 Ala N 17012 1 9 . 1 1 13 13 GLU N N 15 760.2 107.8 . . 13 Glu N 17012 1 10 . 1 1 14 14 GLN N N 15 726.1 55 . . 14 Gln N 17012 1 11 . 1 1 15 15 ARG N N 15 772.2 16.9 . . 15 Arg N 17012 1 12 . 1 1 16 16 HIS N N 15 857 33.6 . . 16 His N 17012 1 13 . 1 1 17 17 GLN N N 15 848.3 31.2 . . 17 Gln N 17012 1 14 . 1 1 18 18 GLU N N 15 797.7 94.1 . . 18 Glu N 17012 1 15 . 1 1 19 19 TRP N N 15 809.6 28.4 . . 19 Trp N 17012 1 16 . 1 1 20 20 LEU N N 15 829.6 36.9 . . 20 Leu N 17012 1 17 . 1 1 21 21 ARG N N 15 812.4 48.2 . . 21 Arg N 17012 1 18 . 1 1 22 22 PHE N N 15 795.7 169 . . 22 Phe N 17012 1 19 . 1 1 23 23 VAL N N 15 837.1 6.8 . . 23 Val N 17012 1 20 . 1 1 24 24 ASP N N 15 848.8 16.1 . . 24 Asp N 17012 1 21 . 1 1 25 25 LEU N N 15 765.6 69.5 . . 25 Leu N 17012 1 22 . 1 1 27 27 LYS N N 15 844.1 55.9 . . 27 Lys N 17012 1 23 . 1 1 28 28 ASN N N 15 844 8.8 . . 28 Asn N 17012 1 24 . 1 1 29 29 ALA N N 15 783.4 39 . . 29 Ala N 17012 1 25 . 1 1 30 30 TYR N N 15 864.2 42.9 . . 30 Tyr N 17012 1 26 . 1 1 31 31 GLN N N 15 807.3 58.7 . . 31 Gln N 17012 1 27 . 1 1 32 32 ASN N N 15 867.6 72.1 . . 32 Asn N 17012 1 28 . 1 1 33 33 ASP N N 15 828.7 48 . . 33 Asp N 17012 1 29 . 1 1 34 34 LEU N N 15 848.3 31.2 . . 34 Leu N 17012 1 30 . 1 1 35 35 HIS N N 15 801.8 26.6 . . 35 His N 17012 1 31 . 1 1 36 36 LEU N N 15 808.8 14.1 . . 36 Leu N 17012 1 32 . 1 1 38 38 LEU N N 15 797.3 15.9 . . 38 Leu N 17012 1 33 . 1 1 40 40 ASN N N 15 749.5 157.4 . . 40 Asn N 17012 1 34 . 1 1 41 41 LEU N N 15 806.7 43.8 . . 41 Leu N 17012 1 35 . 1 1 42 42 MET N N 15 830.1 43.1 . . 42 Met N 17012 1 36 . 1 1 43 43 LEU N N 15 807.9 62.9 . . 43 Leu N 17012 1 37 . 1 1 44 44 THR N N 15 893.1 73.4 . . 44 Thr N 17012 1 38 . 1 1 46 46 ASP N N 15 886.7 65.9 . . 46 Asp N 17012 1 39 . 1 1 47 47 GLU N N 15 885.9 29.3 . . 47 Glu N 17012 1 40 . 1 1 48 48 ARG N N 15 903.2 79.5 . . 48 Arg N 17012 1 41 . 1 1 49 49 GLU N N 15 894.8 93.7 . . 49 Glu N 17012 1 42 . 1 1 50 50 ALA N N 15 895.1 77.7 . . 50 Ala N 17012 1 43 . 1 1 52 52 GLY N N 15 831.9 45.3 . . 52 Gly N 17012 1 44 . 1 1 53 53 THR N N 15 764.4 77.4 . . 53 Thr N 17012 1 45 . 1 1 54 54 ARG N N 15 833.2 62.3 . . 54 Arg N 17012 1 46 . 1 1 55 55 VAL N N 15 817.5 210.1 . . 55 Val N 17012 1 47 . 1 1 56 56 ARG N N 15 783.2 202 . . 56 Arg N 17012 1 48 . 1 1 58 58 VAL N N 15 856.1 70 . . 58 Val N 17012 1 49 . 1 1 59 59 GLU N N 15 853.9 26.3 . . 59 Glu N 17012 1 50 . 1 1 60 60 GLU N N 15 875.3 45.5 . . 60 Glu N 17012 1 51 . 1 1 61 61 LEU N N 15 824.7 80.1 . . 61 Leu N 17012 1 52 . 1 1 62 62 LEU N N 15 857.1 28.7 . . 62 Leu N 17012 1 53 . 1 1 64 64 GLY N N 15 754.8 81.3 . . 64 Gly N 17012 1 54 . 1 1 65 65 GLU N N 15 832 135.6 . . 65 Glu N 17012 1 55 . 1 1 66 66 MET N N 15 867.3 76.8 . . 66 Met N 17012 1 56 . 1 1 67 67 SER N N 15 781.2 97.1 . . 67 Ser N 17012 1 57 . 1 1 68 68 GLN N N 15 784 20.6 . . 68 Gln N 17012 1 58 . 1 1 69 69 ARG N N 15 829.1 4.8 . . 69 Arg N 17012 1 59 . 1 1 70 70 GLU N N 15 783.8 37 . . 70 Glu N 17012 1 60 . 1 1 71 71 LEU N N 15 786.7 41 . . 71 Leu N 17012 1 61 . 1 1 73 73 ASN N N 15 826.1 39.6 . . 73 Asn N 17012 1 62 . 1 1 74 74 GLU N N 15 679.8 19.2 . . 74 Glu N 17012 1 63 . 1 1 75 75 PHE N N 15 796.3 48.2 . . 75 Phe N 17012 1 64 . 1 1 76 76 GLY N N 15 847.6 20.6 . . 76 Gly N 17012 1 65 . 1 1 78 78 GLY N N 15 799.1 24.1 . . 78 Gly N 17012 1 66 . 1 1 79 79 ILE N N 15 734.8 64.8 . . 79 Ile N 17012 1 67 . 1 1 80 80 ALA N N 15 747.4 67.6 . . 80 Ala N 17012 1 68 . 1 1 81 81 THR N N 15 765.6 21.4 . . 81 Thr N 17012 1 69 . 1 1 82 82 ILE N N 15 840.1 69.5 . . 82 Ile N 17012 1 70 . 1 1 84 84 ARG N N 15 758.3 44.8 . . 84 Arg N 17012 1 71 . 1 1 85 85 GLY N N 15 747.5 49.6 . . 85 Gly N 17012 1 72 . 1 1 86 86 SER N N 15 780.9 79.4 . . 86 Ser N 17012 1 73 . 1 1 88 88 SER N N 15 795.1 78.4 . . 88 Ser N 17012 1 74 . 1 1 89 89 LEU N N 15 809.3 36.8 . . 89 Leu N 17012 1 75 . 1 1 90 90 LYS N N 15 890.3 110.4 . . 90 Lys N 17012 1 76 . 1 1 91 91 ALA N N 15 822.1 16.8 . . 91 Ala N 17012 1 77 . 1 1 92 92 ALA N N 15 927.8 65.2 . . 92 Ala N 17012 1 78 . 1 1 94 94 VAL N N 15 854.2 44.2 . . 94 Val N 17012 1 79 . 1 1 95 95 GLU N N 15 788.4 26.9 . . 95 Glu N 17012 1 80 . 1 1 96 96 LEU N N 15 830.9 77.5 . . 96 Leu N 17012 1 81 . 1 1 97 97 ARG N N 15 863 78.2 . . 97 Arg N 17012 1 82 . 1 1 98 98 GLN N N 15 868.6 69.8 . . 98 Gln N 17012 1 83 . 1 1 99 99 TRP N N 15 871.1 116.7 . . 99 Trp N 17012 1 84 . 1 1 100 100 LEU N N 15 856.3 59.6 . . 100 Leu N 17012 1 85 . 1 1 101 101 GLU N N 15 835.9 69 . . 101 Glu N 17012 1 86 . 1 1 102 102 GLU N N 15 882.7 50.4 . . 102 Glu N 17012 1 87 . 1 1 103 103 VAL N N 15 880.7 64.5 . . 103 Val N 17012 1 88 . 1 1 104 104 LEU N N 15 819.5 12.3 . . 104 Leu N 17012 1 89 . 1 1 105 105 LEU N N 15 828.1 140.1 . . 105 Leu N 17012 1 90 . 1 1 106 106 LYS N N 15 807.9 98.5 . . 106 Lys N 17012 1 91 . 1 1 107 107 SER N N 15 847.3 20.3 . . 107 Ser N 17012 1 92 . 1 1 108 108 ASP N N 15 1352.8 112.7 . . 108 Asp N 17012 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronuclear_T2_apoL75F _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_T2_apoL75F _Heteronucl_T2_list.Entry_ID 17012 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method methanol _Heteronucl_T2_list.Temp_control_method 'single scan interleaving' _Heteronucl_T2_list.Spectrometer_frequency_1H 600 _Heteronucl_T2_list.T2_coherence_type Nz _Heteronucl_T2_list.T2_val_units 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 3 '2D 15N T2 interleaved' . . . 17012 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 4 4 GLN N N 15 612.9 32.3 . . . . 4 Gln N 17012 1 2 . 1 1 5 5 SER N N 15 395.7 21.5 . . . . 5 Ser N 17012 1 3 . 1 1 7 7 TYR N N 15 296.4 15.3 . . . . 7 Tyr N 17012 1 4 . 1 1 8 8 SER N N 15 229 8.9 . . . . 8 Ser N 17012 1 5 . 1 1 9 9 ALA N N 15 164.5 6.5 . . . . 9 Ala N 17012 1 6 . 1 1 10 10 ALA N N 15 151.8 4.2 . . . . 10 Ala N 17012 1 7 . 1 1 11 11 MET N N 15 136.4 3.9 . . . . 11 Met N 17012 1 8 . 1 1 12 12 ALA N N 15 108.6 1.4 . . . . 12 Ala N 17012 1 9 . 1 1 13 13 GLU N N 15 101.3 1.1 . . . . 13 Glu N 17012 1 10 . 1 1 14 14 GLN N N 15 98.2 2.3 . . . . 14 Gln N 17012 1 11 . 1 1 15 15 ARG N N 15 92.7 3.2 . . . . 15 Arg N 17012 1 12 . 1 1 16 16 HIS N N 15 71.4 1.2 . . . . 16 His N 17012 1 13 . 1 1 17 17 GLN N N 15 77.2 1.1 . . . . 17 Gln N 17012 1 14 . 1 1 18 18 GLU N N 15 80.4 0.7 . . . . 18 Glu N 17012 1 15 . 1 1 19 19 TRP N N 15 75.6 1.8 . . . . 19 Trp N 17012 1 16 . 1 1 20 20 LEU N N 15 72.6 2.3 . . . . 20 Leu N 17012 1 17 . 1 1 21 21 ARG N N 15 75.3 1.9 . . . . 21 Arg N 17012 1 18 . 1 1 22 22 PHE N N 15 76.2 1.9 . . . . 22 Phe N 17012 1 19 . 1 1 23 23 VAL N N 15 73.1 1.3 . . . . 23 Val N 17012 1 20 . 1 1 24 24 ASP N N 15 67.1 1 . . . . 24 Asp N 17012 1 21 . 1 1 25 25 LEU N N 15 75.1 0.3 . . . . 25 Leu N 17012 1 22 . 1 1 27 27 LYS N N 15 61.6 3.3 . . . . 27 Lys N 17012 1 23 . 1 1 28 28 ASN N N 15 72 0.8 . . . . 28 Asn N 17012 1 24 . 1 1 29 29 ALA N N 15 78.1 1.8 . . . . 29 Ala N 17012 1 25 . 1 1 30 30 TYR N N 15 73.1 1.6 . . . . 30 Tyr N 17012 1 26 . 1 1 31 31 GLN N N 15 75.2 2.5 . . . . 31 Gln N 17012 1 27 . 1 1 32 32 ASN N N 15 79.7 1.2 . . . . 32 Asn N 17012 1 28 . 1 1 33 33 ASP N N 15 71.4 0.6 . . . . 33 Asp N 17012 1 29 . 1 1 34 34 LEU N N 15 77.2 1.1 . . . . 34 Leu N 17012 1 30 . 1 1 35 35 HIS N N 15 72.9 2.2 . . . . 35 His N 17012 1 31 . 1 1 36 36 LEU N N 15 73.1 1.4 . . . . 36 Leu N 17012 1 32 . 1 1 38 38 LEU N N 15 73.2 0.2 . . . . 38 Leu N 17012 1 33 . 1 1 40 40 ASN N N 15 74.9 0.3 . . . . 40 Asn N 17012 1 34 . 1 1 41 41 LEU N N 15 75.8 1.4 . . . . 41 Leu N 17012 1 35 . 1 1 42 42 MET N N 15 72.3 3.9 . . . . 42 Met N 17012 1 36 . 1 1 43 43 LEU N N 15 75.2 0.7 . . . . 43 Leu N 17012 1 37 . 1 1 44 44 THR N N 15 77.5 0.6 . . . . 44 Thr N 17012 1 38 . 1 1 46 46 ASP N N 15 72.1 1.6 . . . . 46 Asp N 17012 1 39 . 1 1 47 47 GLU N N 15 68.6 1.5 . . . . 47 Glu N 17012 1 40 . 1 1 48 48 ARG N N 15 73.8 0.9 . . . . 48 Arg N 17012 1 41 . 1 1 49 49 GLU N N 15 71.1 0.8 . . . . 49 Glu N 17012 1 42 . 1 1 50 50 ALA N N 15 71.4 3.3 . . . . 50 Ala N 17012 1 43 . 1 1 52 52 GLY N N 15 72.3 2.1 . . . . 52 Gly N 17012 1 44 . 1 1 53 53 THR N N 15 77.7 2.9 . . . . 53 Thr N 17012 1 45 . 1 1 54 54 ARG N N 15 67.3 0.5 . . . . 54 Arg N 17012 1 46 . 1 1 55 55 VAL N N 15 70.6 0.4 . . . . 55 Val N 17012 1 47 . 1 1 56 56 ARG N N 15 69.1 1.9 . . . . 56 Arg N 17012 1 48 . 1 1 58 58 VAL N N 15 68.2 1.1 . . . . 58 Val N 17012 1 49 . 1 1 59 59 GLU N N 15 72.4 1.6 . . . . 59 Glu N 17012 1 50 . 1 1 60 60 GLU N N 15 65.6 1.8 . . . . 60 Glu N 17012 1 51 . 1 1 61 61 LEU N N 15 65 5.1 . . . . 61 Leu N 17012 1 52 . 1 1 62 62 LEU N N 15 70.6 1.1 . . . . 62 Leu N 17012 1 53 . 1 1 64 64 GLY N N 15 60.3 1.5 . . . . 64 Gly N 17012 1 54 . 1 1 65 65 GLU N N 15 85.2 1.3 . . . . 65 Glu N 17012 1 55 . 1 1 66 66 MET N N 15 94.1 1.7 . . . . 66 Met N 17012 1 56 . 1 1 67 67 SER N N 15 81.2 4.9 . . . . 67 Ser N 17012 1 57 . 1 1 68 68 GLN N N 15 88.3 3.6 . . . . 68 Gln N 17012 1 58 . 1 1 69 69 ARG N N 15 82.4 4.5 . . . . 69 Arg N 17012 1 59 . 1 1 70 70 GLU N N 15 85.1 0.6 . . . . 70 Glu N 17012 1 60 . 1 1 71 71 LEU N N 15 81.8 0.7 . . . . 71 Leu N 17012 1 61 . 1 1 73 73 ASN N N 15 80.3 0.3 . . . . 73 Asn N 17012 1 62 . 1 1 74 74 GLU N N 15 80.4 1.5 . . . . 74 Glu N 17012 1 63 . 1 1 75 75 PHE N N 15 67.2 2.2 . . . . 75 Phe N 17012 1 64 . 1 1 76 76 GLY N N 15 81.7 0.7 . . . . 76 Gly N 17012 1 65 . 1 1 78 78 GLY N N 15 97.1 4.3 . . . . 78 Gly N 17012 1 66 . 1 1 79 79 ILE N N 15 66.4 1.0 . . . . 79 Ile N 17012 1 67 . 1 1 80 80 ALA N N 15 87.2 2.0 . . . . 80 Ala N 17012 1 68 . 1 1 81 81 THR N N 15 76 1.1 . . . . 81 Thr N 17012 1 69 . 1 1 82 82 ILE N N 15 50.6 0.4 . . . . 82 Ile N 17012 1 70 . 1 1 84 84 ARG N N 15 90.6 2.5 . . . . 84 Arg N 17012 1 71 . 1 1 85 85 GLY N N 15 94.7 1.3 . . . . 85 Gly N 17012 1 72 . 1 1 86 86 SER N N 15 77.4 1.7 . . . . 86 Ser N 17012 1 73 . 1 1 88 88 SER N N 15 59.3 1.9 . . . . 88 Ser N 17012 1 74 . 1 1 89 89 LEU N N 15 68.5 1.6 . . . . 89 Leu N 17012 1 75 . 1 1 90 90 LYS N N 15 77.1 4.8 . . . . 90 Lys N 17012 1 76 . 1 1 91 91 ALA N N 15 81.7 1.7 . . . . 91 Ala N 17012 1 77 . 1 1 92 92 ALA N N 15 80.6 0.4 . . . . 92 Ala N 17012 1 78 . 1 1 94 94 VAL N N 15 78.9 2.8 . . . . 94 Val N 17012 1 79 . 1 1 95 95 GLU N N 15 74.1 1.3 . . . . 95 Glu N 17012 1 80 . 1 1 96 96 LEU N N 15 76 2.1 . . . . 96 Leu N 17012 1 81 . 1 1 97 97 ARG N N 15 77.3 1.4 . . . . 97 Arg N 17012 1 82 . 1 1 98 98 GLN N N 15 71.9 0.5 . . . . 98 Gln N 17012 1 83 . 1 1 99 99 TRP N N 15 75.4 1.1 . . . . 99 Trp N 17012 1 84 . 1 1 100 100 LEU N N 15 74.1 1.3 . . . . 100 Leu N 17012 1 85 . 1 1 101 101 GLU N N 15 74.7 0.7 . . . . 101 Glu N 17012 1 86 . 1 1 102 102 GLU N N 15 76 0.5 . . . . 102 Glu N 17012 1 87 . 1 1 103 103 VAL N N 15 77.7 0.5 . . . . 103 Val N 17012 1 88 . 1 1 104 104 LEU N N 15 79 2.7 . . . . 104 Leu N 17012 1 89 . 1 1 105 105 LEU N N 15 79.6 1.5 . . . . 105 Leu N 17012 1 90 . 1 1 106 106 LYS N N 15 160.3 4.7 . . . . 106 Lys N 17012 1 91 . 1 1 107 107 SER N N 15 407.2 19.5 . . . . 107 Ser N 17012 1 92 . 1 1 108 108 ASP N N 15 751.1 135.1 . . . . 108 Asp N 17012 1 stop_ save_ ###################### # Order parameters # ###################### save_order_parameter_apoL75F _Order_parameter_list.Sf_category order_parameters _Order_parameter_list.Sf_framecode order_parameter_apoL75F _Order_parameter_list.Entry_ID 17012 _Order_parameter_list.ID 1 _Order_parameter_list.Sample_condition_list_ID 1 _Order_parameter_list.Sample_condition_list_label $sample_conditions_1 _Order_parameter_list.Tau_e_val_units ps _Order_parameter_list.Tau_f_val_units ps _Order_parameter_list.Tau_s_val_units ps _Order_parameter_list.Rex_field_strength . _Order_parameter_list.Rex_val_units . _Order_parameter_list.Details . _Order_parameter_list.Text_data_format . _Order_parameter_list.Text_data . loop_ _Order_parameter_experiment.Experiment_ID _Order_parameter_experiment.Experiment_name _Order_parameter_experiment.Sample_ID _Order_parameter_experiment.Sample_label _Order_parameter_experiment.Sample_state _Order_parameter_experiment.Entry_ID _Order_parameter_experiment.Order_parameter_list_ID 2 '2D 15N T1' . . . 17012 1 3 '2D 15N T2 interleaved' . . . 17012 1 4 '2D 15N {1H} nOe' . . . 17012 1 stop_ loop_ _Order_param.ID _Order_param.Assembly_atom_ID _Order_param.Entity_assembly_ID _Order_param.Entity_ID _Order_param.Comp_index_ID _Order_param.Seq_ID _Order_param.Comp_ID _Order_param.Atom_ID _Order_param.Atom_type _Order_param.Atom_isotope_number _Order_param.Order_param_val _Order_param.Order_param_val_fit_err _Order_param.Tau_e_val _Order_param.Tau_e_val_fit_err _Order_param.Tau_f_val _Order_param.Tau_f_val_fit_err _Order_param.Tau_s_val _Order_param.Tau_s_val_fit_err _Order_param.Rex_val _Order_param.Rex_val_fit_err _Order_param.Model_free_sum_squared_errs _Order_param.Model_fit _Order_param.Sf2_val _Order_param.Sf2_val_fit_err _Order_param.Ss2_val _Order_param.Ss2_val_fit_err _Order_param.SH2_val _Order_param.SH2_val_fit_err _Order_param.SN2_val _Order_param.SN2_val_fit_err _Order_param.Resonance_ID _Order_param.Auth_entity_assembly_ID _Order_param.Auth_seq_ID _Order_param.Auth_comp_ID _Order_param.Auth_atom_ID _Order_param.Entry_ID _Order_param.Order_parameter_list_ID 1 . 1 1 5 5 SER N N 15 0.08 0.01 670.1 17.7 . . . . . . . 5 0.81 0.03 0.10 0.02 . . . . . . 5 Ser N 17012 1 2 . 1 1 7 7 TYR N N 15 0.14 0.02 889.9 12.9 . . . . . . . 5 0.74 0.03 0.19 0.02 . . . . . . 7 Tyr N 17012 1 3 . 1 1 8 8 SER N N 15 0.20 0.01 975.0 46.7 . . . . . . . 5 0.77 0.04 0.26 0.03 . . . . . . 8 Ser N 17012 1 4 . 1 1 9 9 ALA N N 15 0.34 0.02 1024.5 42.2 . . . . . . . 5 0.79 0.02 0.43 0.02 . . . . . . 9 Ala N 17012 1 5 . 1 1 10 10 ALA N N 15 0.38 0.02 1033.6 55.4 . . . . . . . 5 0.77 0.02 0.50 0.02 . . . . . . 10 Ala N 17012 1 6 . 1 1 11 11 MET N N 15 0.42 0.02 1135.2 42.6 . . . . . . . 5 0.85 0.03 0.49 0.03 . . . . . . 11 Met N 17012 1 7 . 1 1 12 12 ALA N N 15 0.58 0.01 1010.0 130.9 . . . . . . . 5 0.87 0.04 0.66 0.04 . . . . . . 12 Ala N 17012 1 8 . 1 1 13 13 GLU N N 15 0.66 0.01 . . . . . . . . . 1 . . 0.66 0.01 . . . . . . 13 Glu N 17012 1 9 . 1 1 14 14 GLN N N 15 0.65 0.02 1092.6 157.4 . . . . . . . 5 0.90 0.04 0.72 0.04 . . . . . . 14 Gln N 17012 1 10 . 1 1 15 15 ARG N N 15 0.70 0.03 1237.0 368.9 . . . . . . . 5 0.87 0.03 0.80 0.03 . . . . . . 15 Arg N 17012 1 11 . 1 1 16 16 HIS N N 15 0.85 0.04 37.4 18.2 . . . . 1.6 0.6 . 4 . . 0.85 0.04 . . . . . . 16 His N 17012 1 12 . 1 1 17 17 GLN N N 15 0.88 0.01 . . . . . . . . . 1 . . 0.88 0.01 . . . . . . 17 Gln N 17012 1 13 . 1 1 18 18 GLU N N 15 0.85 0.01 43.8 196.6 . . . . . . . 2 . . 0.85 0.01 . . . . . . 18 Glu N 17012 1 14 . 1 1 19 19 TRP N N 15 0.92 0.02 . . . . . . . . . 1 . . 0.92 0.02 . . . . . . 19 Trp N 17012 1 15 . 1 1 20 20 LEU N N 15 0.93 0.02 . . . . . . . . . 1 . . 0.93 0.02 . . . . . . 20 Leu N 17012 1 16 . 1 1 21 21 ARG N N 15 0.91 0.02 . . . . . . . . . 1 . . 0.91 0.02 . . . . . . 21 Arg N 17012 1 17 . 1 1 22 22 PHE N N 15 0.90 0.02 . . . . . . . . . 1 . . 0.90 0.02 . . . . . . 22 Phe N 17012 1 18 . 1 1 23 23 VAL N N 15 0.90 0.01 . . . . . . 0.7 0.2 . 3 . . 0.90 0.01 . . . . . . 23 Val N 17012 1 19 . 1 1 24 24 ASP N N 15 0.89 0.02 . . . . . . 1.9 0.3 . 3 . . 0.89 0.02 . . . . . . 24 Asp N 17012 1 20 . 1 1 25 25 LEU N N 15 0.92 0.01 . . . . . . . . . 1 . . 0.92 0.01 . . . . . . 25 Leu N 17012 1 21 . 1 1 27 27 LYS N N 15 0.89 0.06 . . . . . . 3.3 1.2 . 3 . . 0.89 0.06 . . . . . . 27 Lys N 17012 1 22 . 1 1 28 28 ASN N N 15 0.90 0.01 . . . . . . 0.8 0.2 . 3 . . 0.90 0.01 . . . . . . 28 Asn N 17012 1 23 . 1 1 29 29 ALA N N 15 0.89 0.02 . . . . . . . . . 1 . . 0.89 0.02 . . . . . . 29 Ala N 17012 1 24 . 1 1 30 30 TYR N N 15 0.93 0.02 . . . . . . . . . 1 . . 0.93 0.02 . . . . . . 30 Tyr N 17012 1 25 . 1 1 31 31 GLN N N 15 0.90 0.03 . . . . . . . . . 1 . . 0.90 0.03 . . . . . . 31 Gln N 17012 1 26 . 1 1 32 32 ASN N N 15 0.86 0.01 . . . . . . . . . 1 . . 0.86 0.01 . . . . . . 32 Asn N 17012 1 27 . 1 1 33 33 ASP N N 15 0.96 0.01 . . . . . . . . . 1 . . 0.96 0.01 . . . . . . 33 Asp N 17012 1 28 . 1 1 34 34 LEU N N 15 0.89 0.01 . . . . . . . . . 1 . . 0.89 0.01 . . . . . . 34 Leu N 17012 1 29 . 1 1 35 35 HIS N N 15 0.94 0.02 . . . . . . . . . 1 . . 0.94 0.02 . . . . . . 35 His N 17012 1 30 . 1 1 36 36 LEU N N 15 0.93 0.01 32.0 11.3 . . . . . . . 2 . . 0.93 0.01 . . . . . . 36 Leu N 17012 1 31 . 1 1 38 38 LEU N N 15 0.93 0.01 . . . . . . . . . 1 . . 0.93 0.01 . . . . . . 38 Leu N 17012 1 32 . 1 1 40 40 ASN N N 15 0.89 0.01 22.7 1.5 . . . . . . . 2 . . 0.89 0.01 . . . . . . 40 Asn N 17012 1 33 . 1 1 41 41 LEU N N 15 0.90 0.02 . . . . . . . . . 1 . . 0.90 0.02 . . . . . . 41 Leu N 17012 1 34 . 1 1 42 42 MET N N 15 0.93 0.03 . . . . . . . . . 1 . . 0.93 0.03 . . . . . . 42 Met N 17012 1 35 . 1 1 43 43 LEU N N 15 0.90 0.01 . . . . . . . . . 1 . . 0.90 0.01 . . . . . . 43 Leu N 17012 1 36 . 1 1 44 44 THR N N 15 0.86 0.01 . . . . . . . . . 1 . . 0.86 0.01 . . . . . . 44 Thr N 17012 1 37 . 1 1 46 46 ASP N N 15 0.92 0.02 . . . . . . . . . 1 . . 0.92 0.02 . . . . . . 46 Asp N 17012 1 38 . 1 1 47 47 GLU N N 15 0.94 0.02 . . . . . . . . . 1 . . 0.94 0.02 . . . . . . 47 Glu N 17012 1 39 . 1 1 49 49 GLU N N 15 0.93 0.01 . . . . . . . . . 1 . . 0.93 0.01 . . . . . . 49 Glu N 17012 1 40 . 1 1 50 50 ALA N N 15 0.91 0.04 . . . . . . . . . 1 . . 0.91 0.04 . . . . . . 50 Ala N 17012 1 41 . 1 1 52 52 GLY N N 15 0.92 0.02 . . . . . . . . . 1 . . 0.92 0.02 . . . . . . 52 Gly N 17012 1 42 . 1 1 53 53 THR N N 15 0.87 0.03 . . . . . . . . . 1 . . 0.87 0.03 . . . . . . 53 Thr N 17012 1 43 . 1 1 55 55 VAL N N 15 0.93 0.01 . . . . . . . . . 1 . . 0.93 0.01 . . . . . . 55 Val N 17012 1 44 . 1 1 56 56 ARG N N 15 0.96 0.02 . . . . . . . . . 1 . . 0.96 0.02 . . . . . . 56 Arg N 17012 1 45 . 1 1 58 58 VAL N N 15 0.95 0.02 . . . . . . . . . 1 . . 0.95 0.02 . . . . . . 58 Val N 17012 1 46 . 1 1 59 59 GLU N N 15 0.91 0.02 . . . . . . . . . 1 . . 0.91 0.02 . . . . . . 59 Glu N 17012 1 47 . 1 1 60 60 GLU N N 15 0.98 0.02 . . . . . . . . . 1 . . 0.98 0.02 . . . . . . 60 Glu N 17012 1 48 . 1 1 61 61 LEU N N 15 0.98 0.04 213.5 695.7 . . . . . . . 2 . . 0.98 0.04 . . . . . . 61 Leu N 17012 1 49 . 1 1 62 62 LEU N N 15 0.93 0.01 . . . . . . . . . 1 . . 0.93 0.01 . . . . . . 62 Leu N 17012 1 50 . 1 1 65 65 GLU N N 15 0.79 0.02 916.4 424.5 . . . . . . . 5 0.88 0.04 0.89 0.06 . . . . . . 65 Glu N 17012 1 51 . 1 1 66 66 MET N N 15 0.71 0.01 . . . . . . . . . 1 . . 0.71 0.01 . . . . . . 66 Met N 17012 1 52 . 1 1 67 67 SER N N 15 0.86 0.05 . . . . . . . . . 1 . . 0.86 0.05 . . . . . . 67 Ser N 17012 1 53 . 1 1 68 68 GLN N N 15 0.76 0.02 1042.8 370.6 . . . . . . . 5 0.90 0.02 0.84 0.03 . . . . . . 68 Gln N 17012 1 54 . 1 1 69 69 ARG N N 15 0.89 0.01 76.8 5.5 . . . . . . . 2 . . 0.89 0.01 . . . . . . 69 Arg N 17012 1 55 . 1 1 70 70 GLU N N 15 0.79 0.01 948.0 273.0 . . . . . . . 5 0.91 0.02 0.87 0.03 . . . . . . 70 Glu N 17012 1 56 . 1 1 71 71 LEU N N 15 0.83 0.01 53.6 8.8 . . . . . . . 2 . . 0.83 0.01 . . . . . . 71 Leu N 17012 1 57 . 1 1 73 73 ASN N N 15 0.85 0.01 62.0 9.3 . . . . . . . 2 . . 0.85 0.01 . . . . . . 73 Asn N 17012 1 58 . 1 1 74 74 GLU N N 15 0.79 0.02 1246.1 226.7 . . . . . . . 2 . . 0.79 0.02 . . . . . . 74 Glu N 17012 1 59 . 1 1 75 75 PHE N N 15 0.89 0.04 138.5 221.2 . . . . 1.9 0.7 . 4 . . 0.89 0.04 . . . . . . 75 Phe N 17012 1 60 . 1 1 76 76 GLY N N 15 0.84 0.01 80.3 19.0 . . . . . . . 2 . . 0.84 0.01 . . . . . . 76 Gly N 17012 1 61 . 1 1 78 78 GLY N N 15 0.68 0.04 1137.8 445.0 . . . . . . . 5 0.84 0.03 0.8 0.03 . . . . . . 78 Gly N 17012 1 62 . 1 1 79 79 ILE N N 15 1.00 0.01 . . . . . . . . . 1 . . 1.00 0.01 . . . . . . 79 Ile N 17012 1 63 . 1 1 80 80 ALA N N 15 0.76 0.02 . . . . . . . . . 1 . . 0.76 0.02 . . . . . . 80 Ala N 17012 1 64 . 1 1 81 81 THR N N 15 0.89 0.01 583.5 131.7 . . . . . . . 5 0.97 0.01 0.92 0.01 . . . . . . 81 Thr N 17012 1 65 . 1 1 82 82 ILE N N 15 0.90 0.07 . . . . . . 6.6 1.0 . 3 . . 0.90 0.07 . . . . . . 82 Ile N 17012 1 66 . 1 1 84 84 ARG N N 15 0.70 0.02 1272.0 196.8 . . . . . . . 5 0.89 0.03 0.78 0.03 . . . . . . 84 Arg N 17012 1 67 . 1 1 85 85 GLY N N 15 0.69 0.01 980.7 125.3 . . . . . . . 5 0.91 0.03 0.76 0.04 . . . . . . 85 Gly N 17012 1 68 . 1 1 86 86 SER N N 15 0.86 0.02 296.2 188.0 . . . . . . . 2 . . 0.86 0.02 . . . . . . 86 Ser N 17012 1 69 . 1 1 88 88 SER N N 15 0.87 0.06 264.4 305.8 . . . . 3.8 0.9 . 4 . . 0.87 0.06 . . . . . . 88 Ser N 17012 1 70 . 1 1 89 89 LEU N N 15 0.98 0.02 . . . . . . . . . 1 . . 0.98 0.02 . . . . . . 89 Leu N 17012 1 71 . 1 1 90 90 LYS N N 15 0.86 0.04 64.9 424.9 . . . . . . . 2 . . 0.86 0.04 . . . . . . 90 Lys N 17012 1 72 . 1 1 91 91 ALA N N 15 0.78 0.02 969.0 130.7 . . . . . . . 5 0.90 0.01 0.87 0.02 . . . . . . 91 Ala N 17012 1 73 . 1 1 92 92 ALA N N 15 0.85 0.01 . . . . . . . . . 1 . . 0.85 0.01 . . . . . . 92 Ala N 17012 1 74 . 1 1 94 94 VAL N N 15 0.87 0.02 . . . . . . . . . 1 . . 0.87 0.02 . . . . . . 94 Val N 17012 1 75 . 1 1 95 95 GLU N N 15 0.93 0.01 . . . . . . . . . 1 . . 0.93 0.01 . . . . . . 95 Glu N 17012 1 76 . 1 1 96 96 LEU N N 15 0.90 0.02 . . . . . . . . . 1 . . 0.90 0.02 . . . . . . 96 Leu N 17012 1 77 . 1 1 97 97 ARG N N 15 0.88 0.02 . . . . . . . . . 1 . . 0.88 0.02 . . . . . . 97 Arg N 17012 1 78 . 1 1 98 98 GLN N N 15 0.95 0.01 . . . . . . . . . 1 . . 0.95 0.01 . . . . . . 98 Gln N 17012 1 79 . 1 1 99 99 TRP N N 15 0.91 0.01 . . . . . . . . . 1 . . 0.91 0.01 . . . . . . 99 Trp N 17012 1 80 . 1 1 100 100 LEU N N 15 0.93 0.02 . . . . . . . . . 1 . . 0.93 0.02 . . . . . . 100 Leu N 17012 1 81 . 1 1 101 101 GLU N N 15 0.88 0.05 41.6 328.8 . . . . 0.5 0.8 . 4 . . 0.88 0.05 . . . . . . 101 Glu N 17012 1 82 . 1 1 102 102 GLU N N 15 0.89 0.01 32.8 2.5 . . . . . . . 2 . . 0.89 0.01 . . . . . . 102 Glu N 17012 1 83 . 1 1 103 103 VAL N N 15 0.88 0.01 14.0 4.6 . . . . . . . 2 . . 0.88 0.01 . . . . . . 103 Val N 17012 1 84 . 1 1 104 104 LEU N N 15 0.90 0.01 22.9 3.6 . . . . . . . 2 . . 0.90 0.01 . . . . . . 104 Leu N 17012 1 85 . 1 1 105 105 LEU N N 15 0.85 0.02 . . . . . . . . . 1 . . 0.85 0.02 . . . . . . 105 Leu N 17012 1 86 . 1 1 106 106 LYS N N 15 0.37 0.02 1054.4 85.4 . . . . . . . 5 0.74 0.06 0.49 0.06 . . . . . . 106 Lys N 17012 1 87 . 1 1 107 107 SER N N 15 0.08 0.01 841.6 14.8 . . . . . . . 5 0.68 0.02 0.12 0.01 . . . . . . 107 Ser N 17012 1 88 . 1 1 108 108 ASP N N 15 0.04 0.02 536.7 19.8 . . . . . . . 5 0.51 0.04 0.08 0.04 . . . . . . 108 Asp N 17012 1 stop_ save_