data_17013 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone Amide relaxation parameters for mutant A77V Tryptophan Repressor ; _BMRB_accession_number 17013 _BMRB_flat_file_name bmr17013.str _Entry_type original _Submission_date 2010-06-21 _Accession_date 2010-06-21 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Goel Anupam . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 heteronucl_NOE 1 T1_relaxation 1 T2_relaxation 1 S2_parameters 1 spectral_density_values 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 88 "13C chemical shifts" 182 "15N chemical shifts" 88 "T1 relaxation values" 80 "T2 relaxation values" 80 "order parameters" 82 "spectral density values" 75 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-03-29 update BMRB 'Added tags for tau e, f, and s units with values of ps in the order parameter save frame' 2010-09-15 update BMRB 'complete entry citation, etc.' 2010-08-20 update BMRB 'update entry citation' 2010-07-09 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 17010 'Wild Type Tryptophan Repressor' 17012 'mutant L75F Tryptophan Repressor' 17041 'Tryptophan repressor protein in holo-form' 17046 'Tryptophan repressor L75F mutant in holo-form' 17047 'Tryptophan repressor A77V mutant protein in holo-form' stop_ save_ ############################# # Citation for this entry # ############################# save_apo-TrpR_dynamics _Saveframe_category entry_citation _Citation_full . _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 _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20718459 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Goel Anupam . . 2 Tripet Brian P. . 3 Tyler Robert C. . 4 Nebert Lucas D. . 5 Copie Valerie . . stop_ _Journal_abbreviation Biochemistry _Journal_name_full Biochemistry _Journal_volume 49 _Journal_issue 37 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 8006 _Page_last 8019 _Year 2010 _Details . save_ ####################################### # Cited references within the entry # ####################################### save_apo-L75F-TrpR_NMR_structure _Saveframe_category citation _Citation_full . _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 _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 12356295 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tyler Robert . . stop_ _Journal_abbreviation Biochemistry _Journal_name_full . _Journal_volume 41 _Journal_issue 40 _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 11954 _Page_last 11962 _Year 2002 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Tryptophan apo-repressor' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Tryptophan apo-repressor, chain 1' $apo-A77V-TrpR 'Tryptophan apo-repressor, chain 2' $apo-A77V-TrpR stop_ _System_molecular_weight 24710.2 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details 'homodimer formed by hydrophobic interaction between protomer units' save_ ######################## # Monomeric polymers # ######################## save_apo-A77V-TrpR _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common apo-A77V-TrpR _Molecular_mass 12383.2 _Mol_thiol_state 'not present' loop_ _Biological_function 'Extraordinarily high repression' 'Regulation of L-Tryptophan expression' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 108 _Mol_residue_sequence ; MAQQSPYSAAMAEQRHQEWL RFVDLLKNAYQNDLHLPLLN LMLTPDEREALGTRVRIVEE LLRGEMSQRELKNELGVGIA TITRGSNSLKAAPVELRQWL EEVLLKSD ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 GLN 4 GLN 5 SER 6 PRO 7 TYR 8 SER 9 ALA 10 ALA 11 MET 12 ALA 13 GLU 14 GLN 15 ARG 16 HIS 17 GLN 18 GLU 19 TRP 20 LEU 21 ARG 22 PHE 23 VAL 24 ASP 25 LEU 26 LEU 27 LYS 28 ASN 29 ALA 30 TYR 31 GLN 32 ASN 33 ASP 34 LEU 35 HIS 36 LEU 37 PRO 38 LEU 39 LEU 40 ASN 41 LEU 42 MET 43 LEU 44 THR 45 PRO 46 ASP 47 GLU 48 ARG 49 GLU 50 ALA 51 LEU 52 GLY 53 THR 54 ARG 55 VAL 56 ARG 57 ILE 58 VAL 59 GLU 60 GLU 61 LEU 62 LEU 63 ARG 64 GLY 65 GLU 66 MET 67 SER 68 GLN 69 ARG 70 GLU 71 LEU 72 LYS 73 ASN 74 GLU 75 LEU 76 GLY 77 VAL 78 GLY 79 ILE 80 ALA 81 THR 82 ILE 83 THR 84 ARG 85 GLY 86 SER 87 ASN 88 SER 89 LEU 90 LYS 91 ALA 92 ALA 93 PRO 94 VAL 95 GLU 96 LEU 97 ARG 98 GLN 99 TRP 100 LEU 101 GLU 102 GLU 103 VAL 104 LEU 105 LEU 106 LYS 107 SER 108 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 17010 apo-TrpR 100.00 108 99.07 99.07 8.51e-70 BMRB 17012 apo-L75F-TrpR 100.00 108 98.15 98.15 2.02e-69 BMRB 17041 TrpR 99.07 113 99.07 99.07 5.76e-69 BMRB 17046 TrpR_L75F 99.07 113 98.13 98.13 1.25e-68 BMRB 17047 TrpR_A77V 99.07 113 100.00 100.00 1.47e-69 BMRB 2040 "trp repressor" 99.07 107 98.13 99.07 2.56e-68 BMRB 2042 "trp repressor" 99.07 107 98.13 99.07 2.56e-68 BMRB 2043 "trp repressor" 99.07 107 98.13 99.07 2.56e-68 BMRB 2074 "trp repressor" 99.07 107 98.13 99.07 2.56e-68 BMRB 2173 "trp repressor" 99.07 107 98.13 99.07 2.56e-68 BMRB 2209 "trp repressor" 99.07 107 98.13 99.07 2.56e-68 BMRB 2764 "trp repressor" 99.07 107 98.13 99.07 2.56e-68 BMRB 441 "trp repressor" 99.07 107 99.07 99.07 6.01e-69 BMRB 442 "trp repressor" 99.07 107 99.07 99.07 6.01e-69 PDB 1CO0 "Nmr Study Of Trp Repressor-Mtr Operator Dna Complex" 99.07 107 99.07 99.07 6.01e-69 PDB 1JHG "Trp Repressor Mutant V58i" 93.52 101 98.02 99.01 1.80e-63 PDB 1MI7 "Crystal Structure Of Domain Swapped Trp Aporepressor In 30%(VV) Isopropanol" 99.07 107 99.07 99.07 6.01e-69 PDB 1RCS "Nmr Study Of Trp Repressor-Operator Dna Complex" 97.22 105 99.05 99.05 2.04e-67 PDB 1TRO "Crystal Structure Of Trp Repressor Operator Complex At Atomic Resolution" 100.00 108 98.15 99.07 3.48e-69 PDB 1TRR "Tandem Binding In Crystals Of A Trp RepressorOPERATOR HALF- Site Complex" 99.07 107 98.13 99.07 2.56e-68 PDB 1WRP "Flexibility Of The Dna-binding Domains Of Trp Repressor" 99.07 107 99.07 99.07 6.01e-69 PDB 1WRS "Nmr Study Of Holo Trp Repressor" 97.22 105 99.05 99.05 2.04e-67 PDB 1WRT "Nmr Study Of Apo Trp Repressor" 97.22 105 99.05 99.05 2.04e-67 PDB 1ZT9 "E. Coli Trp Repressor, Tetragonal Crystal Form" 99.07 107 99.07 99.07 6.01e-69 PDB 2OZ9 "E. Coli Trp Holorepressor, Orthorhombic Crystal Form" 99.07 107 99.07 99.07 6.01e-69 PDB 2XDI "Tryptophan Repressor With L75f Mutation In Its Apo Form (no L-tryptophan Bound)" 99.07 107 98.13 98.13 1.36e-68 PDB 3SSW "E. Coli Trp Aporepressor" 99.07 107 99.07 99.07 6.01e-69 PDB 3SSX "E. Coli Trp Aporeporessor L75f Mutant" 99.07 107 98.13 98.13 1.36e-68 PDB 3WRP "Flexibility Of The Dna-Binding Domains Of Trp Repressor" 100.00 108 99.07 99.07 8.51e-70 DBJ BAB38774 "regulator for trp operon and aroH [Escherichia coli O157:H7 str. Sakai]" 100.00 108 99.07 99.07 8.51e-70 DBJ BAE78382 "DNA-binding transcriptional repressor, tryptophan-binding [Escherichia coli str. K12 substr. W3110]" 100.00 108 99.07 99.07 8.51e-70 DBJ BAG80193 "tryptophan operon repressor [Escherichia coli SE11]" 100.00 108 99.07 99.07 8.51e-70 DBJ BAI28718 "DNA-binding transcriptional repressor TrpR, tryptophan-binding [Escherichia coli O26:H11 str. 11368]" 100.00 108 99.07 99.07 8.51e-70 DBJ BAI33927 "DNA-binding transcriptional repressor TrpR, tryptophan-binding [Escherichia coli O103:H2 str. 12009]" 100.00 108 99.07 99.07 8.51e-70 EMBL CAP78881 "Trp operon repressor [Escherichia coli LF82]" 100.00 108 98.15 99.07 3.02e-69 EMBL CAQ34751 "TrpR transcriptional repressor [Escherichia coli BL21(DE3)]" 100.00 108 99.07 99.07 8.51e-70 EMBL CAQ91905 "DNA-binding transcriptional repressor, tryptophan-binding [Escherichia fergusonii ATCC 35469]" 98.15 108 99.06 99.06 6.06e-68 EMBL CAR01357 "DNA-binding transcriptional repressor, tryptophan-binding [Escherichia coli IAI1]" 100.00 108 99.07 99.07 8.51e-70 EMBL CAR06215 "DNA-binding transcriptional repressor, tryptophan-binding [Escherichia coli S88]" 100.00 108 98.15 99.07 3.02e-69 GB AAA72140 "trp operon repressor protein (trpR) [Escherichia coli]" 100.00 108 99.07 99.07 8.51e-70 GB AAA97289 "CG Site No. 68; alternate gene name Rtry [Escherichia coli str. K-12 substr. MG1655]" 100.00 108 99.07 99.07 8.51e-70 GB AAC77346 "transcriptional repressor, tryptophan-binding [Escherichia coli str. K-12 substr. MG1655]" 100.00 108 99.07 99.07 8.51e-70 GB AAG59573 "regulator for trp operon and aroH; trp aporepressor [Escherichia coli O157:H7 str. EDL933]" 100.00 108 99.07 99.07 8.51e-70 GB AAN45839 "regulator for trp operon and aroH; trp aporepressor [Shigella flexneri 2a str. 301]" 100.00 108 99.07 99.07 8.51e-70 REF NP_313378 "Trp operon repressor [Escherichia coli O157:H7 str. Sakai]" 100.00 108 99.07 99.07 8.51e-70 REF NP_418810 "transcriptional repressor, tryptophan-binding [Escherichia coli str. K-12 substr. MG1655]" 100.00 108 99.07 99.07 8.51e-70 REF NP_710132 "Trp operon repressor [Shigella flexneri 2a str. 301]" 100.00 108 99.07 99.07 8.51e-70 REF WP_000068670 "MULTISPECIES: Trp operon repressor [Escherichia]" 100.00 108 98.15 99.07 3.48e-69 REF WP_000068671 "MULTISPECIES: Trp operon repressor [Escherichia]" 100.00 108 97.22 98.15 5.09e-68 SP A1AJW2 "RecName: Full=Trp operon repressor" 100.00 108 98.15 99.07 3.02e-69 SP A7ZVT5 "RecName: Full=Trp operon repressor" 100.00 108 99.07 99.07 8.51e-70 SP A8A8C2 "RecName: Full=Trp operon repressor" 100.00 108 99.07 99.07 8.51e-70 SP B1IS26 "RecName: Full=Trp operon repressor" 100.00 108 99.07 99.07 8.51e-70 SP B1LEK0 "RecName: Full=Trp operon repressor" 99.07 108 97.20 98.13 1.80e-67 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $apo-A77V-TrpR 'E. coli' 562 Bacteria . Escherichia coli stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $apo-A77V-TrpR 'recombinant technology' . Escherichia coli . pJPR2 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'All samples had the same conditions' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling H2O 95 % 'natural abundance' D2O 5 % '[U-100% 2H]' PMSF 0.1 mM 'natural abundance' 'sodium phosphate' 50 mM 'natural abundance' 'sodium azide' 0.01 % 'natural abundance' 'sodium chloride' 500 mM 'natural abundance' EDTA 1 mM 'natural abundance' $apo-A77V-TrpR 1 mM '[U-100% 13C; U-100% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'data analysis' processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_ModelFree _Saveframe_category software _Name ModelFree _Version . loop_ _Vendor _Address _Electronic_address Palmer . . stop_ loop_ _Task 'data analysis' 'geometry optimization' refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_2D_15N_T1_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 15N T1' _Sample_label $sample_1 save_ save_2D_15N_T2_interleaved_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 15N T2 interleaved' _Sample_label $sample_1 save_ save_2D_15N_{1H}_nOe_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 15N {1H} nOe' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details ; 50 mM potassium phosphate 500 mM NaCl ; loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 1 . M pH 5.7 . pH pressure 1 . atm temperature 318 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_apoA77V _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' '3D HNCACB' '3D CBCA(CO)NH' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Tryptophan apo-repressor, chain 1' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 3 3 GLN H H 8.29 0.01 1 2 3 3 GLN CA C 56.19 0.24 1 3 3 3 GLN CB C 29.77 0.32 1 4 3 3 GLN N N 119.88 0.01 1 5 4 4 GLN H H 8.45 0.01 1 6 4 4 GLN CA C 56.14 0.01 1 7 4 4 GLN CB C 29.80 0.01 1 8 4 4 GLN N N 122.08 0.01 1 9 5 5 SER H H 8.33 0.01 1 10 5 5 SER N N 118.48 0.01 1 11 6 6 PRO CA C 63.67 0.11 1 12 6 6 PRO CB C 31.87 0.06 1 13 7 7 TYR H H 7.94 0.01 1 14 7 7 TYR CA C 57.93 0.01 1 15 7 7 TYR CB C 38.71 0.07 1 16 7 7 TYR N N 118.98 0.01 1 17 8 8 SER H H 7.92 0.01 1 18 8 8 SER CA C 58.42 0.10 1 19 8 8 SER CB C 63.96 0.04 1 20 8 8 SER N N 117.18 0.01 1 21 9 9 ALA H H 8.32 0.01 1 22 9 9 ALA CA C 53.81 0.11 1 23 9 9 ALA CB C 18.67 0.13 1 24 9 9 ALA N N 126.28 0.01 1 25 10 10 ALA H H 8.09 0.01 1 26 10 10 ALA CA C 53.95 0.20 1 27 10 10 ALA CB C 18.86 0.17 1 28 10 10 ALA N N 121.68 0.07 1 29 11 11 MET H H 7.99 0.01 1 30 11 11 MET CA C 56.79 0.11 1 31 11 11 MET CB C 32.54 0.16 1 32 11 11 MET N N 118.38 0.01 1 33 12 12 ALA H H 8.12 0.01 1 34 12 12 ALA CA C 54.48 0.06 1 35 12 12 ALA CB C 18.78 0.05 1 36 12 12 ALA N N 123.18 0.01 1 37 13 13 GLU H H 8.20 0.01 1 38 13 13 GLU CA C 58.57 0.22 1 39 13 13 GLU CB C 29.46 0.19 1 40 13 13 GLU N N 119.38 0.04 1 41 14 14 GLN H H 8.17 0.01 1 42 14 14 GLN CA C 58.61 0.10 1 43 14 14 GLN CB C 28.62 0.15 1 44 14 14 GLN N N 120.58 0.01 1 45 15 15 ARG H H 8.31 0.01 1 46 15 15 ARG CA C 58.43 0.01 1 47 15 15 ARG CB C 30.38 0.01 1 48 15 15 ARG N N 118.18 0.01 1 49 16 16 HIS CA C 55.86 0.08 1 50 16 16 HIS CB C 29.45 0.01 1 51 17 17 GLN H H 8.36 0.01 1 52 17 17 GLN CA C 59.01 0.20 1 53 17 17 GLN CB C 28.82 0.75 1 54 17 17 GLN N N 118.28 0.01 1 55 18 18 GLU H H 8.44 0.01 1 56 18 18 GLU CA C 59.64 0.08 1 57 18 18 GLU CB C 28.76 0.07 1 58 18 18 GLU N N 120.18 0.01 1 59 19 19 TRP H H 8.13 0.01 1 60 19 19 TRP CA C 59.58 0.20 1 61 19 19 TRP CB C 29.21 0.04 1 62 19 19 TRP N N 122.38 0.01 1 63 20 20 LEU H H 8.03 0.01 1 64 20 20 LEU CA C 57.92 0.05 1 65 20 20 LEU CB C 41.40 0.81 1 66 20 20 LEU N N 117.78 0.01 1 67 21 21 ARG H H 7.97 0.01 1 68 21 21 ARG CA C 59.53 0.09 1 69 21 21 ARG CB C 30.44 1.00 1 70 21 21 ARG N N 119.38 0.01 1 71 22 22 PHE H H 7.88 0.01 1 72 22 22 PHE CA C 62.02 0.01 1 73 22 22 PHE CB C 37.54 0.01 1 74 22 22 PHE N N 120.48 0.01 1 75 23 23 VAL H H 7.82 0.01 1 76 23 23 VAL CA C 66.87 0.16 1 77 23 23 VAL CB C 31.08 0.01 1 78 23 23 VAL N N 119.18 0.01 1 79 24 24 ASP H H 8.05 0.01 1 80 24 24 ASP CA C 57.31 0.17 1 81 24 24 ASP CB C 41.49 0.16 1 82 24 24 ASP N N 121.28 0.01 1 83 25 25 LEU H H 8.22 0.01 1 84 25 25 LEU CA C 57.83 0.19 1 85 25 25 LEU CB C 41.94 0.54 1 86 25 25 LEU N N 123.98 0.01 1 87 26 26 LEU H H 8.23 0.01 1 88 26 26 LEU CA C 57.41 0.24 1 89 26 26 LEU CB C 41.30 1.20 1 90 26 26 LEU N N 119.18 0.01 1 91 27 27 LYS H H 7.51 0.01 1 92 27 27 LYS CA C 59.78 0.12 1 93 27 27 LYS CB C 32.12 0.20 1 94 27 27 LYS N N 120.58 0.03 1 95 28 28 ASN H H 7.75 0.01 1 96 28 28 ASN CA C 55.88 0.06 1 97 28 28 ASN CB C 38.97 0.14 1 98 28 28 ASN N N 116.68 0.01 1 99 29 29 ALA H H 8.95 0.01 1 100 29 29 ALA CA C 55.84 0.23 1 101 29 29 ALA CB C 17.66 0.09 1 102 29 29 ALA N N 126.18 0.01 1 103 30 30 TYR H H 8.44 0.01 1 104 30 30 TYR CA C 61.84 0.10 1 105 30 30 TYR CB C 38.06 0.18 1 106 30 30 TYR N N 119.28 0.01 1 107 31 31 GLN H H 7.44 0.01 1 108 31 31 GLN CA C 58.07 0.05 1 109 31 31 GLN CB C 28.41 0.16 1 110 31 31 GLN N N 117.18 0.01 1 111 32 32 ASN H H 7.36 0.01 1 112 32 32 ASN CA C 53.16 0.13 1 113 32 32 ASN CB C 40.35 0.12 1 114 32 32 ASN N N 115.48 0.01 1 115 33 33 ASP H H 7.93 0.01 1 116 33 33 ASP CA C 56.22 0.15 1 117 33 33 ASP CB C 39.93 0.08 1 118 33 33 ASP N N 117.28 0.01 1 119 34 34 LEU H H 8.31 0.01 1 120 34 34 LEU CA C 53.59 0.25 1 121 34 34 LEU CB C 43.40 0.18 1 122 34 34 LEU N N 117.78 0.01 1 123 35 35 HIS H H 9.03 0.01 1 124 35 35 HIS CA C 59.48 0.10 1 125 35 35 HIS CB C 28.62 0.18 1 126 35 35 HIS N N 120.78 0.01 1 127 36 36 LEU H H 7.40 0.01 1 128 36 36 LEU CA C 59.85 0.01 1 129 36 36 LEU CB C 37.81 0.01 1 130 36 36 LEU N N 119.48 0.01 1 131 37 37 PRO CA C 65.37 0.06 1 132 37 37 PRO CB C 30.60 0.08 1 133 38 38 LEU H H 7.89 0.01 1 134 38 38 LEU CA C 58.68 0.20 1 135 38 38 LEU CB C 41.41 0.12 1 136 38 38 LEU N N 119.08 0.01 1 137 39 39 LEU H H 8.91 0.01 1 138 39 39 LEU CA C 58.73 0.15 1 139 39 39 LEU CB C 41.62 0.11 1 140 39 39 LEU N N 120.68 0.01 1 141 40 40 ASN H H 8.22 0.01 1 142 40 40 ASN CA C 54.84 0.15 1 143 40 40 ASN CB C 37.99 0.06 1 144 40 40 ASN N N 116.98 0.01 1 145 41 41 LEU H H 7.57 0.01 1 146 41 41 LEU CA C 57.10 0.08 1 147 41 41 LEU CB C 42.82 0.17 1 148 41 41 LEU N N 119.48 0.01 1 149 42 42 MET H H 8.08 0.01 1 150 42 42 MET CA C 55.88 0.06 1 151 42 42 MET CB C 33.18 0.10 1 152 42 42 MET N N 113.88 0.01 1 153 43 43 LEU H H 7.88 0.01 1 154 43 43 LEU CA C 53.69 0.01 1 155 43 43 LEU CB C 44.95 0.01 1 156 43 43 LEU N N 117.88 0.01 1 157 45 45 PRO CA C 66.42 0.17 1 158 45 45 PRO CB C 31.43 0.02 1 159 46 46 ASP H H 8.09 0.01 1 160 46 46 ASP CA C 56.75 0.07 1 161 46 46 ASP CB C 40.29 0.12 1 162 46 46 ASP N N 114.58 0.01 1 163 47 47 GLU H H 7.54 0.01 1 164 47 47 GLU CA C 59.02 0.01 1 165 47 47 GLU CB C 30.14 0.01 1 166 47 47 GLU N N 122.68 0.01 1 167 48 48 ARG H H 7.85 0.01 1 168 48 48 ARG CA C 60.20 0.06 1 169 48 48 ARG CB C 30.31 0.10 1 170 48 48 ARG N N 118.18 0.01 1 171 49 49 GLU H H 7.77 0.01 1 172 49 49 GLU CA C 59.38 0.15 1 173 49 49 GLU CB C 29.45 0.12 1 174 49 49 GLU N N 117.68 0.01 1 175 50 50 ALA H H 7.93 0.01 1 176 50 50 ALA CA C 55.34 0.10 1 177 50 50 ALA CB C 17.77 0.11 1 178 50 50 ALA N N 121.98 0.01 1 179 51 51 LEU H H 8.09 0.01 1 180 51 51 LEU CA C 58.73 0.01 1 181 51 51 LEU CB C 45.35 7.64 1 182 51 51 LEU N N 119.28 0.01 1 183 52 52 GLY H H 8.24 0.01 1 184 52 52 GLY CA C 47.54 0.01 1 185 52 52 GLY N N 104.98 0.01 1 186 54 54 ARG H H 8.60 0.01 1 187 54 54 ARG CA C 60.59 0.08 1 188 54 54 ARG CB C 30.58 0.01 1 189 54 54 ARG N N 121.38 0.01 1 190 55 55 VAL H H 7.89 0.01 1 191 55 55 VAL CA C 67.19 0.03 1 192 55 55 VAL CB C 31.24 0.02 1 193 55 55 VAL N N 119.08 0.01 1 194 56 56 ARG H H 7.24 0.01 1 195 56 56 ARG CA C 58.37 0.06 1 196 56 56 ARG CB C 28.78 0.17 1 197 56 56 ARG N N 119.38 0.01 1 198 57 57 ILE H H 8.20 0.01 1 199 57 57 ILE CA C 66.42 0.01 1 200 57 57 ILE CB C 37.84 0.01 1 201 57 57 ILE N N 117.98 0.01 1 202 58 58 VAL H H 7.98 0.01 1 203 58 58 VAL N N 118.18 0.01 1 204 59 59 GLU CA C 60.25 0.04 1 205 59 59 GLU CB C 29.69 0.04 1 206 60 60 GLU H H 8.32 0.01 1 207 60 60 GLU CA C 57.67 0.14 1 208 60 60 GLU CB C 29.10 0.08 1 209 60 60 GLU N N 114.88 0.01 1 210 61 61 LEU H H 8.93 0.01 1 211 61 61 LEU CA C 57.93 0.04 1 212 61 61 LEU CB C 42.10 0.48 1 213 61 61 LEU N N 124.28 0.01 1 214 62 62 LEU H H 8.27 0.01 1 215 62 62 LEU CA C 57.46 0.52 1 216 62 62 LEU CB C 42.50 0.16 1 217 62 62 LEU N N 119.58 0.01 1 218 63 63 ARG H H 8.32 0.01 1 219 63 63 ARG CA C 59.48 0.01 1 220 63 63 ARG CB C 30.80 0.01 1 221 63 63 ARG N N 119.38 0.01 1 222 64 64 GLY H H 7.62 0.01 1 223 64 64 GLY N N 102.48 0.01 1 224 65 65 GLU H H 8.57 0.01 1 225 65 65 GLU CA C 57.32 0.01 1 226 65 65 GLU CB C 31.24 0.07 1 227 65 65 GLU N N 121.38 0.01 1 228 66 66 MET H H 8.61 0.01 1 229 66 66 MET CA C 55.82 0.13 1 230 66 66 MET CB C 35.41 0.13 1 231 66 66 MET N N 118.98 0.01 1 232 67 67 SER H H 8.78 0.01 1 233 67 67 SER CA C 57.39 0.09 1 234 67 67 SER CB C 65.06 0.11 1 235 67 67 SER N N 118.58 0.01 1 236 68 68 GLN H H 8.84 0.01 1 237 68 68 GLN CA C 60.67 0.13 1 238 68 68 GLN CB C 28.38 0.16 1 239 68 68 GLN N N 120.28 0.01 1 240 69 69 ARG H H 8.16 0.01 1 241 69 69 ARG CA C 59.26 0.16 1 242 69 69 ARG CB C 30.11 0.18 1 243 69 69 ARG N N 117.68 0.01 1 244 70 70 GLU H H 7.64 0.01 1 245 70 70 GLU CA C 59.16 0.18 1 246 70 70 GLU CB C 30.01 0.09 1 247 70 70 GLU N N 119.38 0.01 1 248 71 71 LEU H H 8.40 0.01 1 249 71 71 LEU CA C 58.04 0.01 1 250 71 71 LEU CB C 42.60 0.01 1 251 71 71 LEU N N 121.28 0.01 1 252 72 72 LYS CA C 59.51 0.07 1 253 72 72 LYS CB C 31.80 0.18 1 254 73 73 ASN H H 7.71 0.01 1 255 73 73 ASN CA C 55.62 0.01 1 256 73 73 ASN CB C 38.76 0.01 1 257 73 73 ASN N N 117.28 0.01 1 258 74 74 GLU H H 8.49 0.01 1 259 74 74 GLU N N 119.88 0.01 1 260 75 75 LEU H H 8.01 0.01 1 261 75 75 LEU CA C 54.92 0.09 1 262 75 75 LEU CB C 43.19 0.01 1 263 75 75 LEU N N 114.28 0.01 1 264 76 76 GLY H H 7.92 0.01 1 265 76 76 GLY CA C 46.88 0.13 1 266 76 76 GLY N N 108.58 0.01 1 267 77 77 VAL H H 7.06 0.01 1 268 77 77 VAL CA C 58.72 0.13 1 269 77 77 VAL CB C 31.49 2.24 1 270 77 77 VAL N N 110.48 0.01 1 271 78 78 GLY H H 8.24 0.01 1 272 78 78 GLY CA C 44.90 0.01 1 273 78 78 GLY N N 106.68 0.01 1 274 84 84 ARG CA C 59.70 0.01 1 275 84 84 ARG CB C 29.49 0.01 1 276 85 85 GLY H H 7.87 0.01 1 277 85 85 GLY CA C 47.17 0.13 1 278 85 85 GLY N N 107.88 0.01 1 279 86 86 SER H H 8.51 0.01 1 280 86 86 SER CA C 61.51 0.01 1 281 86 86 SER CB C 63.07 0.01 1 282 86 86 SER N N 116.68 0.01 1 283 89 89 LEU CA C 57.93 0.06 1 284 89 89 LEU CB C 42.24 0.21 1 285 90 90 LYS H H 7.89 0.01 1 286 90 90 LYS CA C 59.16 0.13 1 287 90 90 LYS CB C 32.42 0.18 1 288 90 90 LYS N N 118.38 0.01 1 289 91 91 ALA H H 7.20 0.01 1 290 91 91 ALA CA C 51.79 0.21 1 291 91 91 ALA CB C 19.44 0.10 1 292 91 91 ALA N N 118.38 0.01 1 293 92 92 ALA H H 7.35 0.01 1 294 92 92 ALA CA C 50.57 0.01 1 295 92 92 ALA CB C 17.78 0.01 1 296 92 92 ALA N N 123.18 0.01 1 297 93 93 PRO CA C 62.57 0.16 1 298 93 93 PRO CB C 31.94 0.01 1 299 94 94 VAL H H 8.81 0.01 1 300 94 94 VAL CA C 66.41 0.13 1 301 94 94 VAL CB C 31.82 0.34 1 302 94 94 VAL N N 125.08 0.01 1 303 95 95 GLU H H 9.66 0.01 1 304 95 95 GLU CA C 59.94 0.05 1 305 95 95 GLU CB C 28.56 0.20 1 306 95 95 GLU N N 118.98 0.01 1 307 96 96 LEU H H 7.28 0.01 1 308 96 96 LEU CA C 57.41 0.25 1 309 96 96 LEU CB C 42.04 0.16 1 310 96 96 LEU N N 117.28 0.01 1 311 97 97 ARG H H 7.89 0.01 1 312 97 97 ARG CA C 61.24 0.07 1 313 97 97 ARG CB C 29.98 0.18 1 314 97 97 ARG N N 119.48 0.01 1 315 98 98 GLN H H 8.72 0.01 1 316 98 98 GLN CA C 59.08 0.13 1 317 98 98 GLN CB C 28.52 0.11 1 318 98 98 GLN N N 116.08 0.01 1 319 99 99 TRP H H 7.51 0.01 1 320 99 99 TRP CA C 61.68 0.09 1 321 99 99 TRP CB C 28.41 0.03 1 322 99 99 TRP N N 121.38 0.01 1 323 100 100 LEU H H 8.84 0.01 1 324 100 100 LEU CA C 57.67 0.06 1 325 100 100 LEU CB C 42.66 0.09 1 326 100 100 LEU N N 117.38 0.01 1 327 101 101 GLU H H 8.02 0.01 1 328 101 101 GLU CA C 60.15 0.07 1 329 101 101 GLU CB C 29.42 0.13 1 330 101 101 GLU N N 117.38 0.01 1 331 102 102 GLU H H 7.44 0.01 1 332 102 102 GLU CA C 59.16 0.15 1 333 102 102 GLU CB C 29.65 0.25 1 334 102 102 GLU N N 118.18 0.01 1 335 103 103 VAL H H 7.96 0.01 1 336 103 103 VAL CA C 64.31 0.15 1 337 103 103 VAL CB C 32.09 0.05 1 338 103 103 VAL N N 113.28 0.01 1 339 104 104 LEU H H 8.36 0.01 1 340 104 104 LEU CA C 52.61 5.98 1 341 104 104 LEU CB C 42.65 0.01 1 342 104 104 LEU N N 117.38 0.01 1 343 105 105 LEU H H 7.08 0.01 1 344 105 105 LEU CA C 55.00 0.11 1 345 105 105 LEU CB C 41.19 0.10 1 346 105 105 LEU N N 115.28 0.01 1 347 106 106 LYS H H 7.22 0.01 1 348 106 106 LYS CA C 56.53 0.08 1 349 106 106 LYS CB C 32.68 0.14 1 350 106 106 LYS N N 119.18 0.01 1 351 107 107 SER H H 8.10 0.01 1 352 107 107 SER CA C 58.13 0.05 1 353 107 107 SER CB C 64.41 0.16 1 354 107 107 SER N N 117.18 0.01 1 355 108 108 ASP H H 7.94 0.01 1 356 108 108 ASP CA C 55.84 0.01 1 357 108 108 ASP CB C 42.40 0.01 1 358 108 108 ASP N N 127.78 0.01 1 stop_ save_ save_15N-T1_apo-A77V-TrpR _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _T1_coherence_type Nz _T1_value_units ms _Mol_system_component_name 'Tryptophan apo-repressor, chain 1' _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 4 GLN N 1279 60.81 2 5 SER N 889.5 136.75 3 9 ALA N 824.25 3.46 4 10 ALA N 824.65 1.06 5 11 MET N 868.8 10.18 6 12 ALA N 749.2 103.94 7 13 GLU N 821.85 19.02 8 14 GLN N 687.95 29.63 9 15 ARG N 707.25 18.31 10 18 GLU N 724.7 32.67 11 19 TRP N 800.35 18.31 12 20 LEU N 748.6 153.16 13 21 ARG N 837.35 40.66 14 22 PHE N 824.05 72.76 15 23 VAL N 899.2 62.51 16 24 ASP N 809.9 17.4 17 25 LEU N 787.65 18.88 18 26 LEU N 833.45 4.17 19 27 LYS N 884.4 12.45 20 28 ASN N 825.6 3.68 21 29 ALA N 858.7 5.37 22 30 TYR N 850.95 36.56 23 31 GLN N 852.25 45.47 24 32 ASN N 940.75 26.09 25 33 ASP N 891.5 57.42 26 34 LEU N 806.1 32.1 27 35 HIS N 827.95 96.8 28 36 LEU N 781.4 60.67 29 39 LEU N 835.35 26.23 30 40 ASN N 801.5 15.27 31 41 LEU N 862.55 120.14 32 42 MET N 772.95 27.79 33 43 LEU N 868.05 50.28 34 46 ASP N 913.65 18.46 35 47 GLU N 921.4 8.77 36 48 ARG N 867.85 65.41 37 49 GLU N 841.75 22.27 38 50 ALA N 843.2 93.9 39 51 LEU N 896.5 8.63 40 52 GLY N 880.9 53.03 41 54 ARG N 770.35 41.51 42 57 ILE N 850.45 78.42 43 60 GLU N 812.1 2.97 44 61 LEU N 890.7 64.35 45 62 LEU N 804.35 55.23 46 63 ARG N 826.85 28.07 47 64 GLY N 853.95 7 48 65 GLU N 926.25 43.63 49 66 MET N 946.75 31.47 50 67 SER N 902.95 27.51 51 68 GLN N 792.45 5.3 52 69 ARG N 792.65 67.81 53 70 GLU N 814.1 87.26 54 71 LEU N 779.65 26.38 55 73 ASN N 806.7 93.1 56 74 GLU N 825.1 63.4 57 75 LEU N 878.4 69.3 58 76 GLY N 908 15.7 59 77 VAL N 988.35 73.04 60 78 GLY N 925.9 2.26 61 85 GLY N 784.9 17.4 62 86 SER N 818.05 9.55 63 90 LYS N 798.35 32.88 64 91 ALA N 810.65 7.85 65 92 ALA N 977.7 8.2 66 94 VAL N 812.15 60.03 67 95 GLU N 897.4 10.32 68 96 LEU N 772.65 29.49 69 97 ARG N 700.05 270.61 70 98 GLN N 932.1 60.25 71 99 TRP N 798.3 10.47 72 100 LEU N 880.6 12.73 73 101 GLU N 922.9 6.93 74 102 GLU N 856.75 8.13 75 103 VAL N 848.35 40.94 76 104 LEU N 801.3 63.22 77 105 LEU N 856.65 20.86 78 106 LYS N 729.35 1.2 79 107 SER N 878.4 73.26 80 108 ASP N 1561.5 181.73 stop_ save_ save_heteronuclear_T2_apoA77V _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _T2_coherence_type Nz _T2_value_units ms _Mol_system_component_name 'Tryptophan apo-repressor, chain 1' _Text_data_format . _Text_data . loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error _Rex_value _Rex_error 1 4 GLN N 777 36.77 . . 2 5 SER N 413.7 71.84 . . 3 9 ALA N 149.55 52.4 . . 4 10 ALA N 98.16 23.82 . . 5 11 MET N 107.96 16.89 . . 6 12 ALA N 114.2 0.99 . . 7 13 GLU N 97.72 8.46 . . 8 14 GLN N 102.05 0.21 . . 9 15 ARG N 85.37 3.13 . . 10 18 GLU N 80.41 1.65 . . 11 19 TRP N 81.03 1.82 . . 12 20 LEU N 73.15 1.55 . . 13 21 ARG N 78.46 0.46 . . 14 22 PHE N 76.06 0.59 . . 15 23 VAL N 81.29 1.17 . . 16 24 ASP N 66.19 5.95 . . 17 25 LEU N 80.95 3.25 . . 18 26 LEU N 85.83 13.01 . . 19 27 LYS N 52.06 0.49 . . 20 28 ASN N 74.76 1 . . 21 29 ALA N 76.16 0.18 . . 22 30 TYR N 69.89 2.46 . . 23 31 GLN N 75.53 1.54 . . 24 32 ASN N 82.64 1.56 . . 25 33 ASP N 71.32 2.06 . . 26 34 LEU N 79.12 0.59 . . 27 35 HIS N 70.68 0.63 . . 28 36 LEU N 75.62 0.06 . . 29 39 LEU N 73.66 1.38 . . 30 40 ASN N 74.9 1.42 . . 31 41 LEU N 79.5 5.13 . . 32 42 MET N 78.66 0.94 . . 33 43 LEU N 72.91 1.77 . . 34 46 ASP N 72.88 2.54 . . 35 47 GLU N 74.14 3.21 . . 36 48 ARG N 93.88 23.65 . . 37 49 GLU N 73.6 3.18 . . 38 50 ALA N 70.87 1.03 . . 39 51 LEU N 71.75 1.39 . . 40 52 GLY N 73.09 0.68 . . 41 54 ARG N 77.02 5.01 . . 42 57 ILE N 70.35 0.23 . . 43 60 GLU N 67.23 3.25 . . 44 61 LEU N 68.15 2.64 . . 45 62 LEU N 76.72 0.83 . . 46 63 ARG N 74.6 4.52 . . 47 64 GLY N 70.22 1.69 . . 48 65 GLU N 77.07 10.39 . . 49 66 MET N 83.53 2.36 . . 50 67 SER N 86.21 0.87 . . 51 68 GLN N 98.39 5.11 . . 52 69 ARG N 79.34 1.06 . . 53 70 GLU N 86.24 3.71 . . 54 71 LEU N 81.35 0.26 . . 55 73 ASN N 79.9 0.1 . . 56 74 GLU N 85.3 1.4 . . 57 75 LEU N 69.07 4.77 . . 58 76 GLY N 78.84 0.16 . . 59 77 VAL N 66.11 4.43 . . 60 78 GLY N 80.03 1.96 . . 61 85 GLY N 81.29 6.87 . . 62 86 SER N 74.4 1.97 . . 63 90 LYS N 80.03 0.96 . . 64 91 ALA N 81.68 2.62 . . 65 92 ALA N 81.32 0.1 . . 66 94 VAL N 83.86 4.53 . . 67 95 GLU N 75.67 0.3 . . 68 96 LEU N 78.32 0.86 . . 69 97 ARG N 72.22 6.21 . . 70 98 GLN N 75.04 1.41 . . 71 99 TRP N 72.57 1.68 . . 72 100 LEU N 76.28 0.69 . . 73 101 GLU N 77.09 0.75 . . 74 102 GLU N 79.86 0.13 . . 75 103 VAL N 78.68 3.19 . . 76 104 LEU N 80.14 3.16 . . 77 105 LEU N 84.4 2.91 . . 78 106 LYS N 141.4 14.28 . . 79 107 SER N 431.5 18.24 . . 80 108 ASP N 924.1 91.92 . . stop_ save_ save_het_nOe_apoA77V _Saveframe_category heteronuclear_NOE _Details . loop_ _Experiment_label '2D 15N {1H} nOe' stop_ loop_ _Sample_label . stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _Mol_system_component_name 'Tryptophan apo-repressor, chain 1' _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'peak height' _NOE_reference_value 200000 _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 4 GLN -1.64 0.19 5 SER -0.52 0.23 9 ALA 0.09 0.14 10 ALA 0.54 0.28 11 MET 0.66 0.09 12 ALA 0.39 0.02 13 GLU 0.56 0.11 14 GLN 0.52 0.05 15 ARG 0.78 0.22 18 GLU 0.77 0.03 19 TRP 0.76 0.02 20 LEU 0.78 0.09 21 ARG 0.66 0.04 22 PHE 0.82 0.02 23 VAL 0.74 0.06 24 ASP 0.73 0.05 25 LEU 0.76 0.07 26 LEU 0.8 0.02 27 LYS 0.81 0.03 28 ASN 0.81 0.04 29 ALA 0.83 0.02 30 TYR 0.82 0.05 31 GLN 0.81 0.02 32 ASN 0.8 0.04 33 ASP 0.81 0.04 34 LEU 0.78 0.01 35 HIS 0.81 0.11 36 LEU 0.85 0.06 39 LEU 0.82 0.01 40 ASN 0.83 0 41 LEU 0.81 0.02 42 MET 0.79 0.05 43 LEU 0.78 0.03 46 ASP 0.78 0.03 47 GLU 0.87 0.11 48 ARG 0.8 0.06 49 GLU 0.8 0.04 50 ALA 0.83 0.02 51 LEU 0.75 0.03 52 GLY 0.8 0.05 54 ARG 0.75 0.04 57 ILE 0.82 0.02 60 GLU 0.77 0.04 61 LEU 0.79 0.02 62 LEU 0.83 0.07 63 ARG 0.78 0.03 64 GLY 0.72 0.04 65 GLU 0.78 0.07 66 MET 0.72 0.01 67 SER 0.69 0.05 68 GLN 0.69 0.03 69 ARG 0.68 0.03 70 GLU 0.68 0.02 71 LEU 0.72 0.04 73 ASN 0.72 0.04 74 GLU 0.71 0.04 75 LEU 0.71 0.04 76 GLY 0.66 0.04 77 VAL 0.62 0.01 78 GLY 0.64 0.04 85 GLY 0.78 0.07 86 SER 0.79 0.07 90 LYS 0.75 0.02 91 ALA 0.78 0.03 92 ALA 0.81 0.03 94 VAL 0.77 0.03 95 GLU 0.76 0.01 96 LEU 0.82 0.02 97 ARG 0.78 0.02 98 GLN 0.76 0.01 99 TRP 0.8 0.06 100 LEU 0.8 0.02 101 GLU 0.75 0.03 102 GLU 0.78 0.03 103 VAL 0.78 0.03 104 LEU 0.8 0.05 105 LEU 0.67 0.06 106 LYS 0.34 0.05 107 SER -0.4 0.04 108 ASP -1.26 0.03 stop_ save_ save_order_parameter_apoA77V _Saveframe_category S2_parameters _Details . loop_ _Sample_label $sample_1 $sample_1 $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Mol_system_component_name 'Tryptophan apo-repressor, chain 1' _Tau_e_value_units ps _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Atom_name _Model_fit _S2_value _S2_value_fit_error _Tau_e_value _Tau_e_value_fit_error _S2f_value _S2f_value_fit_error _S2s_value _S2s_value_fit_error _Tau_s_value _Tau_s_value_fit_error _S2H_value _S2H_value_fit_error _S2N_value _S2N_value_fit_error 5 SER N 5 0.09 0.03 752.3 116.1 0.69 0.10 0.13 0.06 . . . . . . 9 ALA N 2 0.72 0.04 184.4 23.1 . . 0.72 0.04 . . . . . . 10 ALA N 1 0.89 0.00 . . . . 0.89 0.00 . . . . . . 11 MET N 1 0.84 0.01 . . . . 0.84 0.01 . . . . . . 12 ALA N 5 0.55 0.02 1035.4 179.3 0.86 0.07 0.65 0.07 . . . . . . 13 GLU N 1 0.90 0.02 . . . . 0.90 0.02 . . . . . . 14 GLN N 5 0.63 0.01 1251.8 154.6 0.91 0.02 0.70 0.03 . . . . . . 15 ARG N 2 0.84 0.03 667.7 191.2 . . 0.84 0.03 . . . . . . 17 GLN N 2 0.61 0.17 536.6 211.2 . . 0.61 0.17 . . . . . . 18 GLU N 1 0.89 0.02 . . . . 0.89 0.02 . . . . . . 19 TRP N 2 0.88 0.02 29.9 11.8 . . 0.88 0.02 . . . . . . 20 LEU N 1 0.94 0.02 . . . . 0.94 0.02 . . . . . . 21 ARG N 1 0.89 0.01 . . . . 0.89 0.01 . . . . . . 22 PHE N 1 0.94 0.01 . . . . 0.94 0.01 . . . . . . 23 VAL N 1 0.87 0.01 . . . . 0.87 0.01 . . . . . . 24 ASP N 1 0.93 0.02 . . . . 0.93 0.02 . . . . . . 25 LEU N 1 0.91 0.02 . . . . 0.91 0.02 . . . . . . 26 LEU N 1 0.87 0.01 . . . . 0.87 0.01 . . . . . . 27 LYS N 3 0.84 0.01 . . . . 0.84 0.01 . . . . . . 28 ASN N 1 0.91 0.00 . . . . 0.91 0.00 . . . . . . 29 ALA N 3 0.85 0.01 . . . . 0.85 0.01 . . . . . . 30 TYR N 3 0.86 0.04 . . . . 0.86 0.04 . . . . . . 31 GLN N 1 0.89 0.02 . . . . 0.89 0.02 . . . . . . 32 ASN N 1 0.82 0.01 . . . . 0.82 0.01 . . . . . . 33 ASP N 3 0.81 0.05 . . . . 0.81 0.05 . . . . . . 34 LEU N 2 0.90 0.01 21.4 3.7 . . 0.90 0.01 . . . . . . 35 HIS N 1 0.98 0.01 . . . . 0.98 0.01 . . . . . . 36 LEU N 1 0.95 0.00 . . . . 0.95 0.00 . . . . . . 39 LEU N 3 0.86 0.03 . . . . 0.86 0.03 . . . . . . 40 ASN N 1 0.93 0.01 . . . . 0.93 0.01 . . . . . . 41 LEU N 1 0.89 0.05 . . . . 0.89 0.05 . . . . . . 42 MET N 1 0.91 0.01 . . . . 0.91 0.01 . . . . . . 43 LEU N 3 0.83 0.05 . . . . 0.83 0.05 . . . . . . 46 ASP N 1 0.86 0.02 . . . . 0.86 0.02 . . . . . . 47 GLU N 3 0.79 0.01 . . . . 0.79 0.01 . . . . . . 48 ARG N 1 0.84 0.06 . . . . 0.84 0.06 . . . . . . 49 GLU N 1 0.90 0.02 . . . . 0.90 0.02 . . . . . . 50 ALA N 1 0.98 0.01 . . . . 0.98 0.01 . . . . . . 51 LEU N 4 0.80 0.01 15.5 4.6 . . 0.80 0.01 . . . . . . 52 GLY N 3 0.83 0.05 . . . . 0.83 0.05 . . . . . . 54 ARG N 1 0.94 0.04 . . . . 0.94 0.04 . . . . . . 55 VAL N 1 0.28 0.00 . . . . 0.28 0.00 . . . . . . 57 ILE N 1 0.98 0.00 . . . . 0.98 0.00 . . . . . . 58 VAL N 1 0.66 0.34 . . . . 0.66 0.34 . . . . . . 60 GLU N 1 0.93 0.00 . . . . 0.93 0.00 . . . . . . 61 LEU N 1 0.96 0.03 . . . . 0.96 0.03 . . . . . . 62 LEU N 1 0.91 0.01 . . . . 0.91 0.01 . . . . . . 63 ARG N 1 0.91 0.03 . . . . 0.91 0.03 . . . . . . 64 GLY N 4 0.82 0.01 29.0 10.1 . . 0.82 0.01 . . . . . . 65 GLU N 1 0.80 0.04 . . . . 0.80 0.04 . . . . . . 66 MET N 4 0.76 0.03 18.5 3.4 . . 0.76 0.03 . . . . . . 67 SER N 1 0.82 0.01 . . . . 0.82 0.01 . . . . . . 68 GLN N 5 0.68 0.04 1615.8 295.7 0.82 0.03 0.83 0.03 . . . . . . 69 ARG N 5 0.87 0.02 564.7 304.5 0.93 0.03 0.94 0.03 . . . . . . 70 GLU N 2 0.83 0.03 42.9 362.1 . . 0.83 0.03 . . . . . . 71 LEU N 1 0.88 0.00 . . . . 0.88 0.00 . . . . . . 73 ASN N 1 0.88 0.00 . . . . 0.88 0.00 . . . . . . 74 GLU N 1 0.80 0.01 . . . . 0.80 0.01 . . . . . . 75 LEU N 1 0.92 0.04 . . . . 0.92 0.04 . . . . . . 76 GLY N 4 0.77 0.02 31.9 8.6 . . 0.77 0.02 . . . . . . 77 VAL N 4 0.70 0.05 27.2 7.0 . . 0.70 0.05 . . . . . . 78 GLY N 4 0.75 0.01 32.3 5.4 . . 0.75 0.01 . . . . . . 85 GLY N 1 0.92 0.02 . . . . 0.92 0.02 . . . . . . 86 SER N 1 0.92 0.01 . . . . 0.92 0.01 . . . . . . 90 LYS N 2 0.89 0.01 31.1 9.0 . . 0.89 0.01 . . . . . . 91 ALA N 1 0.91 0.01 . . . . 0.91 0.01 . . . . . . 92 ALA N 3 0.74 0.01 . . . . 0.74 0.01 . . . . . . 94 VAL N 1 0.87 0.04 . . . . 0.87 0.04 . . . . . . 95 GLU N 4 0.80 0.01 13.5 2.8 . . 0.80 0.01 . . . . . . 96 LEU N 1 0.92 0.01 . . . . 0.92 0.01 . . . . . . 97 ARG N 1 1.00 0.04 . . . . 1.00 0.04 . . . . . . 98 GLN N 4 0.78 0.05 13.1 5.7 . . 0.78 0.05 . . . . . . 99 TRP N 1 0.93 0.01 . . . . 0.93 0.01 . . . . . . 100 LEU N 3 0.83 0.01 . . . . 0.83 0.01 . . . . . . 101 GLU N 4 0.78 0.01 15.9 4.7 . . 0.78 0.01 . . . . . . 102 GLU N 1 0.87 0.00 . . . . 0.87 0.00 . . . . . . 103 VAL N 1 0.88 0.03 . . . . 0.88 0.03 . . . . . . 104 LEU N 1 0.89 0.03 . . . . 0.89 0.03 . . . . . . 105 LEU N 1 0.86 0.02 . . . . 0.86 0.02 . . . . . . 106 LYS N 5 0.45 0.06 1110.5 122.7 0.81 0.04 0.55 0.05 . . . . . . 107 SER N 5 0.08 0.01 822.2 22.1 0.66 0.05 0.11 0.02 . . . . . . 108 ASP N 5 0.03 0.01 530.2 17.9 0.45 0.04 0.07 0.03 . . . . . . stop_ _Tau_s_value_units ps save_