data_17041 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone dynamics of Tryptophan repressor protein in holo-form ; _BMRB_accession_number 17041 _BMRB_flat_file_name bmr17041.str _Entry_type original _Submission_date 2010-07-01 _Accession_date 2010-07-01 _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" 95 "13C chemical shifts" 189 "15N chemical shifts" 95 "T1 relaxation values" 76 "T2 relaxation values" 76 "order parameters" 72 "spectral density values" 83 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-03-29 update BMRB ; tau e value units changed from ns to ps residue numbering (comp_index_ID) corrected in all relaxation data save frames ; 2010-09-23 update BMRB 'update entry citation' 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' 17013 'mutant A77V Tryptophan Repressor' 17046 'Tryptophan repressor L75F mutant in holo-form' 17047 'Tryptophan repressor A77V mutant protein in holo-form' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _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_reference_citation _Saveframe_category 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 15N NMR relaxation profiles of wild type and A77V mutant apo-TrpR repressors' _Citation_status submitted _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Goel Anupam P. . 2 Tripet Brian P. . 3 Copie Valerie . . stop_ _Journal_abbreviation Biochemistry _Journal_name_full . _Journal_volume . _Journal_issue . _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 . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'holoTrpR dimer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label subunit $TrpR L-Trytophan $entity_TRP stop_ _System_molecular_weight 13046.8 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_TrpR _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common TrpR _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function 'Regulation of intracellular L-Trp concentrations by repressing the trp operon' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 113 _Mol_residue_sequence ; HHHHHHAQQSPYSAAMAEQR HQEWLRFVDLLKNAYQNDLH LPLLNLMLTPDEREALGTRV RIVEELLRGEMSQRELKNEL GAGIATITRGSNSLKAAPVE LRQWLEEVLLKSD ; loop_ _Residue_seq_code _Residue_label 1 HIS 2 HIS 3 HIS 4 HIS 5 HIS 6 HIS 7 ALA 8 GLN 9 GLN 10 SER 11 PRO 12 TYR 13 SER 14 ALA 15 ALA 16 MET 17 ALA 18 GLU 19 GLN 20 ARG 21 HIS 22 GLN 23 GLU 24 TRP 25 LEU 26 ARG 27 PHE 28 VAL 29 ASP 30 LEU 31 LEU 32 LYS 33 ASN 34 ALA 35 TYR 36 GLN 37 ASN 38 ASP 39 LEU 40 HIS 41 LEU 42 PRO 43 LEU 44 LEU 45 ASN 46 LEU 47 MET 48 LEU 49 THR 50 PRO 51 ASP 52 GLU 53 ARG 54 GLU 55 ALA 56 LEU 57 GLY 58 THR 59 ARG 60 VAL 61 ARG 62 ILE 63 VAL 64 GLU 65 GLU 66 LEU 67 LEU 68 ARG 69 GLY 70 GLU 71 MET 72 SER 73 GLN 74 ARG 75 GLU 76 LEU 77 LYS 78 ASN 79 GLU 80 LEU 81 GLY 82 ALA 83 GLY 84 ILE 85 ALA 86 THR 87 ILE 88 THR 89 ARG 90 GLY 91 SER 92 ASN 93 SER 94 LEU 95 LYS 96 ALA 97 ALA 98 PRO 99 VAL 100 GLU 101 LEU 102 ARG 103 GLN 104 TRP 105 LEU 106 GLU 107 GLU 108 VAL 109 LEU 110 LEU 111 LYS 112 SER 113 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 94.69 108 100.00 100.00 1.61e-69 BMRB 17012 apo-L75F-TrpR 94.69 108 99.07 99.07 4.16e-69 BMRB 17013 apo-A77V-TrpR 94.69 108 99.07 99.07 6.03e-69 BMRB 17046 TrpR_L75F 100.00 113 99.12 99.12 2.40e-74 BMRB 17047 TrpR_A77V 100.00 113 99.12 99.12 4.47e-74 BMRB 2040 "trp repressor" 94.69 107 99.07 100.00 6.89e-69 BMRB 2042 "trp repressor" 94.69 107 99.07 100.00 6.89e-69 BMRB 2043 "trp repressor" 94.69 107 99.07 100.00 6.89e-69 BMRB 2074 "trp repressor" 94.69 107 99.07 100.00 6.89e-69 BMRB 2173 "trp repressor" 94.69 107 99.07 100.00 6.89e-69 BMRB 2209 "trp repressor" 94.69 107 99.07 100.00 6.89e-69 BMRB 2764 "trp repressor" 94.69 107 99.07 100.00 6.89e-69 BMRB 441 "trp repressor" 94.69 107 100.00 100.00 1.61e-69 BMRB 442 "trp repressor" 94.69 107 100.00 100.00 1.61e-69 PDB 1CO0 "Nmr Study Of Trp Repressor-Mtr Operator Dna Complex" 94.69 107 100.00 100.00 1.61e-69 PDB 1JHG "Trp Repressor Mutant V58i" 89.38 101 99.01 100.00 4.66e-64 PDB 1MI7 "Crystal Structure Of Domain Swapped Trp Aporepressor In 30%(VV) Isopropanol" 94.69 107 100.00 100.00 1.61e-69 PDB 1RCS "Nmr Study Of Trp Repressor-Operator Dna Complex" 92.92 105 100.00 100.00 4.56e-68 PDB 1TRO "Crystal Structure Of Trp Repressor Operator Complex At Atomic Resolution" 94.69 108 99.07 100.00 6.03e-69 PDB 1TRR "Tandem Binding In Crystals Of A Trp RepressorOPERATOR HALF- Site Complex" 94.69 107 99.07 100.00 6.89e-69 PDB 1WRP "Flexibility Of The Dna-binding Domains Of Trp Repressor" 94.69 107 100.00 100.00 1.61e-69 PDB 1WRS "Nmr Study Of Holo Trp Repressor" 92.92 105 100.00 100.00 4.56e-68 PDB 1WRT "Nmr Study Of Apo Trp Repressor" 92.92 105 100.00 100.00 4.56e-68 PDB 1ZT9 "E. Coli Trp Repressor, Tetragonal Crystal Form" 94.69 107 100.00 100.00 1.61e-69 PDB 2OZ9 "E. Coli Trp Holorepressor, Orthorhombic Crystal Form" 94.69 107 100.00 100.00 1.61e-69 PDB 2XDI "Tryptophan Repressor With L75f Mutation In Its Apo Form (no L-tryptophan Bound)" 94.69 107 99.07 99.07 3.99e-69 PDB 3SSW "E. Coli Trp Aporepressor" 94.69 107 100.00 100.00 1.61e-69 PDB 3SSX "E. Coli Trp Aporeporessor L75f Mutant" 94.69 107 99.07 99.07 3.99e-69 PDB 3WRP "Flexibility Of The Dna-Binding Domains Of Trp Repressor" 94.69 108 100.00 100.00 1.61e-69 DBJ BAB38774 "regulator for trp operon and aroH [Escherichia coli O157:H7 str. Sakai]" 94.69 108 100.00 100.00 1.61e-69 DBJ BAE78382 "DNA-binding transcriptional repressor, tryptophan-binding [Escherichia coli str. K12 substr. W3110]" 94.69 108 100.00 100.00 1.61e-69 DBJ BAG80193 "tryptophan operon repressor [Escherichia coli SE11]" 94.69 108 100.00 100.00 1.61e-69 DBJ BAI28718 "DNA-binding transcriptional repressor TrpR, tryptophan-binding [Escherichia coli O26:H11 str. 11368]" 94.69 108 100.00 100.00 1.61e-69 DBJ BAI33927 "DNA-binding transcriptional repressor TrpR, tryptophan-binding [Escherichia coli O103:H2 str. 12009]" 94.69 108 100.00 100.00 1.61e-69 EMBL CAP78881 "Trp operon repressor [Escherichia coli LF82]" 94.69 108 99.07 100.00 4.44e-69 EMBL CAQ34751 "TrpR transcriptional repressor [Escherichia coli BL21(DE3)]" 94.69 108 100.00 100.00 1.61e-69 EMBL CAQ91905 "DNA-binding transcriptional repressor, tryptophan-binding [Escherichia fergusonii ATCC 35469]" 92.92 108 100.00 100.00 1.31e-67 EMBL CAR01357 "DNA-binding transcriptional repressor, tryptophan-binding [Escherichia coli IAI1]" 94.69 108 100.00 100.00 1.61e-69 EMBL CAR06215 "DNA-binding transcriptional repressor, tryptophan-binding [Escherichia coli S88]" 94.69 108 99.07 100.00 4.44e-69 GB AAA72134 "tryptophan repressor [Salmonella enterica subsp. enterica serovar Typhimurium]" 94.69 108 97.20 99.07 5.34e-68 GB AAA72140 "trp operon repressor protein (trpR) [Escherichia coli]" 94.69 108 100.00 100.00 1.61e-69 GB AAA97289 "CG Site No. 68; alternate gene name Rtry [Escherichia coli str. K-12 substr. MG1655]" 94.69 108 100.00 100.00 1.61e-69 GB AAC77346 "transcriptional repressor, tryptophan-binding [Escherichia coli str. K-12 substr. MG1655]" 94.69 108 100.00 100.00 1.61e-69 GB AAG59573 "regulator for trp operon and aroH; trp aporepressor [Escherichia coli O157:H7 str. EDL933]" 94.69 108 100.00 100.00 1.61e-69 REF NP_313378 "Trp operon repressor [Escherichia coli O157:H7 str. Sakai]" 94.69 108 100.00 100.00 1.61e-69 REF NP_418810 "transcriptional repressor, tryptophan-binding [Escherichia coli str. K-12 substr. MG1655]" 94.69 108 100.00 100.00 1.61e-69 REF NP_710132 "Trp operon repressor [Shigella flexneri 2a str. 301]" 94.69 108 100.00 100.00 1.61e-69 REF WP_000068670 "MULTISPECIES: Trp operon repressor [Escherichia]" 94.69 108 99.07 100.00 6.03e-69 REF WP_000068671 "MULTISPECIES: Trp operon repressor [Escherichia]" 94.69 108 98.13 99.07 7.09e-68 SP A1AJW2 "RecName: Full=Trp operon repressor" 94.69 108 99.07 100.00 4.44e-69 SP A7ZVT5 "RecName: Full=Trp operon repressor" 94.69 108 100.00 100.00 1.61e-69 SP A8A8C2 "RecName: Full=Trp operon repressor" 94.69 108 100.00 100.00 1.61e-69 SP B1IS26 "RecName: Full=Trp operon repressor" 94.69 108 100.00 100.00 1.61e-69 SP B1LEK0 "RecName: Full=Trp operon repressor" 93.81 108 98.11 99.06 3.52e-67 stop_ save_ ###################### # Polymer residues # ###################### save_chem_comp_TRP _Saveframe_category polymer_residue _Mol_type 'L-PEPTIDE LINKING' _Name_common TRYPTOPHAN _BMRB_code TRP _PDB_code TRP _Standard_residue_derivative . _Molecular_mass 204.225 _Mol_paramagnetic . _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons N N N . 0 . ? CA CA C . 0 . ? C C C . 0 . ? O O O . 0 . ? CB CB C . 0 . ? CG CG C . 0 . ? CD1 CD1 C . 0 . ? CD2 CD2 C . 0 . ? NE1 NE1 N . 0 . ? CE2 CE2 C . 0 . ? CE3 CE3 C . 0 . ? CZ2 CZ2 C . 0 . ? CZ3 CZ3 C . 0 . ? CH2 CH2 C . 0 . ? OXT OXT O . 0 . ? H H H . 0 . ? H2 H2 H . 0 . ? HA HA H . 0 . ? HB2 HB2 H . 0 . ? HB3 HB3 H . 0 . ? HD1 HD1 H . 0 . ? HE1 HE1 H . 0 . ? HE3 HE3 H . 0 . ? HZ2 HZ2 H . 0 . ? HZ3 HZ3 H . 0 . ? HH2 HH2 H . 0 . ? HXT HXT H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING N CA ? ? SING N H ? ? SING N H2 ? ? SING CA C ? ? SING CA CB ? ? SING CA HA ? ? DOUB C O ? ? SING C OXT ? ? SING CB CG ? ? SING CB HB2 ? ? SING CB HB3 ? ? DOUB CG CD1 ? ? SING CG CD2 ? ? SING CD1 NE1 ? ? SING CD1 HD1 ? ? DOUB CD2 CE2 ? ? SING CD2 CE3 ? ? SING NE1 CE2 ? ? SING NE1 HE1 ? ? SING CE2 CZ2 ? ? DOUB CE3 CZ3 ? ? SING CE3 HE3 ? ? DOUB CZ2 CH2 ? ? SING CZ2 HZ2 ? ? SING CZ3 CH2 ? ? SING CZ3 HZ3 ? ? SING CH2 HH2 ? ? SING OXT HXT ? ? stop_ save_ ############# # Ligands # ############# save_TRP _Saveframe_category ligand _Mol_type non-polymer _Name_common TRYPTOPHAN _Molecular_mass 204.225 _Details . _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $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 $TrpR 'recombinant technology' . Escherichia coli K12 pJPR2 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_CSA _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $TrpR 1 mM '[U-100% 13C; U-100% 15N]' $entity_TRP 5 mM 'natural abundance' D2O 5 % 'natural abundance' H2O 95 % 'natural abundance' PMSF 0.1 mM 'natural abundance' 'sodium azide' 0.01 % 'natural abundance' 'sodium chloride' 500 mM 'natural abundance' 'sodium phosphate' 50 mM 'natural abundance' EDTA 1 mM 'natural abundance' stop_ save_ save_sample_relax _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $TrpR 1 mM '[U-100% 13C; U-100% 15N]' $entity_TRP 5 mM 'natural abundance' D2O 5 % 'natural abundance' H2O 95 % 'natural abundance' PMSF 0.1 mM 'natural abundance' 'sodium azide' 0.01 % 'natural abundance' 'sodium chloride' 500 mM 'natural abundance' 'sodium phosphate' 50 mM 'natural abundance' EDTA 1 mM 'natural abundance' 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_CSA save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_CSA save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_CSA save_ save_2D_15N_T1_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 15N T1' _Sample_label $sample_relax save_ save_2D_15N_T2_interleaved_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 15N T2 interleaved' _Sample_label $sample_relax save_ save_2D_15N_{1H}_nOe_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 15N {1H} nOe' _Sample_label $sample_relax save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.001 . 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D CBCA(CO)NH' stop_ loop_ _Sample_label $sample_CSA stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name subunit _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 7 7 ALA CA C 54.75 0.14 1 2 7 7 ALA CB C 18.91 0.07 1 3 8 8 GLN H H 8.19 0.01 1 4 8 8 GLN CA C 57.09 1.06 1 5 8 8 GLN CB C 29.94 0.18 1 6 8 8 GLN N N 119.38 0.01 1 7 9 9 GLN H H 8.45 0.01 1 8 9 9 GLN CA C 56.04 0.13 1 9 9 9 GLN CB C 29.95 0.18 1 10 9 9 GLN N N 122.08 0.01 1 11 10 10 SER H H 8.35 0.01 1 12 10 10 SER CA C 56.66 0.01 1 13 10 10 SER CB C 63.70 0.01 1 14 10 10 SER N N 117.98 0.01 1 15 11 11 PRO CA C 64.09 0.10 1 16 11 11 PRO CB C 32.14 0.11 1 17 12 12 TYR H H 7.93 0.01 1 18 12 12 TYR CA C 58.36 0.24 1 19 12 12 TYR CB C 39.01 0.13 1 20 12 12 TYR N N 118.98 0.01 1 21 13 13 SER H H 7.92 0.01 1 22 13 13 SER CA C 58.72 0.35 1 23 13 13 SER CB C 64.32 0.06 1 24 13 13 SER N N 117.28 0.01 1 25 14 14 ALA H H 8.33 0.01 1 26 14 14 ALA CA C 54.11 0.15 1 27 14 14 ALA CB C 19.02 0.09 1 28 14 14 ALA N N 126.18 0.01 1 29 15 15 ALA H H 8.09 0.01 1 30 15 15 ALA CA C 54.15 0.10 1 31 15 15 ALA CB C 19.02 0.07 1 32 15 15 ALA N N 121.38 0.01 1 33 16 16 MET H H 7.99 0.01 1 34 16 16 MET CA C 56.95 0.21 1 35 16 16 MET CB C 32.67 0.09 1 36 16 16 MET N N 118.38 0.01 1 37 17 17 ALA H H 8.11 0.01 1 38 17 17 ALA CA C 54.49 0.01 1 39 17 17 ALA CB C 18.91 0.01 1 40 17 17 ALA N N 122.98 0.01 1 41 18 18 GLU H H 8.21 0.01 1 42 18 18 GLU CA C 58.88 0.05 1 43 18 18 GLU CB C 29.91 0.01 1 44 18 18 GLU N N 119.28 0.01 1 45 19 19 GLN H H 8.17 0.01 1 46 19 19 GLN CA C 58.70 0.33 1 47 19 19 GLN CB C 28.76 0.09 1 48 19 19 GLN N N 120.68 0.01 1 49 20 20 ARG H H 8.36 0.01 1 50 20 20 ARG CA C 58.71 0.01 1 51 20 20 ARG CB C 30.27 0.01 1 52 20 20 ARG N N 118.48 0.01 1 53 21 21 HIS H H 8.39 0.01 1 54 21 21 HIS CA C 56.27 0.07 1 55 21 21 HIS CB C 29.27 0.01 1 56 21 21 HIS N N 118.58 0.01 1 57 22 22 GLN H H 8.35 0.01 1 58 22 22 GLN CA C 59.20 0.29 1 59 22 22 GLN CB C 28.81 0.19 1 60 22 22 GLN N N 118.08 0.01 1 61 23 23 GLU H H 8.47 0.01 1 62 23 23 GLU CA C 59.52 0.26 1 63 23 23 GLU CB C 28.94 0.26 1 64 23 23 GLU N N 120.28 0.01 1 65 24 24 TRP H H 8.11 0.01 1 66 24 24 TRP CA C 59.56 0.11 1 67 24 24 TRP CB C 29.32 0.10 1 68 24 24 TRP N N 122.28 0.01 1 69 25 25 LEU H H 8.04 0.01 1 70 25 25 LEU CA C 57.76 0.02 1 71 25 25 LEU CB C 40.76 0.02 1 72 25 25 LEU N N 117.68 0.01 1 73 26 26 ARG H H 7.95 0.01 1 74 26 26 ARG CA C 59.87 0.21 1 75 26 26 ARG CB C 30.25 0.08 1 76 26 26 ARG N N 119.68 0.01 1 77 27 27 PHE H H 7.80 0.01 1 78 27 27 PHE CA C 62.20 0.26 1 79 27 27 PHE CB C 37.80 0.17 1 80 27 27 PHE N N 120.18 0.01 1 81 28 28 VAL H H 7.80 0.01 1 82 28 28 VAL CA C 63.93 5.61 1 83 28 28 VAL CB C 31.42 0.18 1 84 28 28 VAL N N 119.28 0.01 1 85 29 29 ASP H H 8.08 0.01 1 86 29 29 ASP CA C 57.64 0.13 1 87 29 29 ASP CB C 41.71 0.13 1 88 29 29 ASP N N 121.28 0.01 1 89 30 30 LEU H H 8.14 0.01 1 90 30 30 LEU CA C 58.48 0.01 1 91 30 30 LEU CB C 42.91 0.14 1 92 30 30 LEU N N 124.08 0.01 1 93 31 31 LEU H H 8.26 0.01 1 94 31 31 LEU CA C 57.39 0.29 1 95 31 31 LEU CB C 40.58 0.12 1 96 31 31 LEU N N 119.28 0.01 1 97 32 32 LYS H H 7.53 0.01 1 98 32 32 LYS CA C 60.30 0.19 1 99 32 32 LYS CB C 32.58 0.12 1 100 32 32 LYS N N 120.68 0.01 1 101 33 33 ASN H H 7.74 0.01 1 102 33 33 ASN CA C 56.25 0.18 1 103 33 33 ASN CB C 39.28 0.08 1 104 33 33 ASN N N 116.58 0.01 1 105 34 34 ALA H H 8.93 0.01 1 106 34 34 ALA CA C 56.07 0.01 1 107 34 34 ALA CB C 17.86 0.06 1 108 34 34 ALA N N 126.18 0.01 1 109 35 35 TYR H H 8.44 0.01 1 110 35 35 TYR CA C 61.95 0.23 1 111 35 35 TYR CB C 38.23 0.23 1 112 35 35 TYR N N 119.08 0.01 1 113 36 36 GLN H H 7.44 0.01 1 114 36 36 GLN CA C 58.30 0.21 1 115 36 36 GLN CB C 28.71 0.16 1 116 36 36 GLN N N 117.08 0.01 1 117 37 37 ASN H H 7.36 0.01 1 118 37 37 ASN CA C 53.37 0.21 1 119 37 37 ASN CB C 40.65 0.12 1 120 37 37 ASN N N 115.48 0.01 1 121 38 38 ASP H H 7.94 0.01 1 122 38 38 ASP CA C 56.53 0.14 1 123 38 38 ASP CB C 40.13 0.12 1 124 38 38 ASP N N 117.18 0.01 1 125 39 39 LEU H H 8.32 0.01 1 126 39 39 LEU CA C 53.90 0.06 1 127 39 39 LEU CB C 43.66 0.16 1 128 39 39 LEU N N 117.68 0.01 1 129 40 40 HIS H H 9.08 0.01 1 130 40 40 HIS CA C 59.78 0.19 1 131 40 40 HIS CB C 29.00 0.13 1 132 40 40 HIS N N 120.88 0.01 1 133 41 41 LEU H H 7.46 0.01 1 134 41 41 LEU CA C 59.58 0.01 1 135 41 41 LEU CB C 37.89 0.01 1 136 41 41 LEU N N 119.38 0.01 1 137 42 42 PRO CA C 65.74 0.09 1 138 42 42 PRO CB C 31.19 0.08 1 139 43 43 LEU H H 8.03 0.01 1 140 43 43 LEU CA C 58.92 0.18 1 141 43 43 LEU CB C 41.64 0.13 1 142 43 43 LEU N N 119.78 0.01 1 143 44 44 LEU H H 8.92 0.01 1 144 44 44 LEU CA C 54.52 7.11 1 145 44 44 LEU CB C 41.89 0.04 1 146 44 44 LEU N N 120.78 0.01 1 147 45 45 ASN H H 8.21 0.01 1 148 45 45 ASN CA C 55.13 0.13 1 149 45 45 ASN CB C 38.28 0.12 1 150 45 45 ASN N N 117.98 0.01 1 151 46 46 LEU H H 7.77 0.01 1 152 46 46 LEU CA C 58.22 0.01 1 153 46 46 LEU CB C 42.45 0.16 1 154 46 46 LEU N N 119.08 0.01 1 155 47 47 MET H H 8.68 0.01 1 156 47 47 MET CA C 56.31 0.28 1 157 47 47 MET CB C 32.36 0.06 1 158 47 47 MET N N 114.28 0.01 1 159 48 48 LEU H H 7.64 0.01 1 160 48 48 LEU CA C 54.02 0.01 1 161 48 48 LEU CB C 44.64 0.01 1 162 48 48 LEU N N 115.78 0.01 1 163 50 50 PRO CA C 66.00 0.13 1 164 50 50 PRO CB C 31.93 0.07 1 165 51 51 ASP H H 7.99 0.01 1 166 51 51 ASP CA C 56.82 0.17 1 167 51 51 ASP CB C 40.50 0.10 1 168 51 51 ASP N N 114.68 0.01 1 169 52 52 GLU H H 7.81 0.01 1 170 52 52 GLU CA C 60.07 0.69 1 171 52 52 GLU CB C 28.92 0.65 1 172 52 52 GLU N N 122.78 0.01 1 173 53 53 ARG H H 8.15 0.01 1 174 53 53 ARG CA C 60.51 0.72 1 175 53 53 ARG CB C 30.56 0.22 1 176 53 53 ARG N N 117.88 0.01 1 177 54 54 GLU H H 7.72 0.01 1 178 54 54 GLU CA C 59.53 0.16 1 179 54 54 GLU CB C 29.71 0.10 1 180 54 54 GLU N N 117.38 0.01 1 181 55 55 ALA H H 8.05 0.01 1 182 55 55 ALA CA C 55.48 0.10 1 183 55 55 ALA CB C 17.77 0.17 1 184 55 55 ALA N N 121.88 0.01 1 185 56 56 LEU H H 8.11 0.01 1 186 56 56 LEU CA C 58.84 0.01 1 187 56 56 LEU CB C 41.05 0.01 1 188 56 56 LEU N N 118.78 0.01 1 189 57 57 GLY H H 8.04 0.01 1 190 57 57 GLY N N 133.98 0.01 1 191 59 59 ARG H H 8.68 0.01 1 192 59 59 ARG CA C 61.20 0.41 1 193 59 59 ARG CB C 31.14 0.52 1 194 59 59 ARG N N 121.58 0.01 1 195 60 60 VAL H H 7.80 0.01 1 196 60 60 VAL CA C 67.39 0.27 1 197 60 60 VAL CB C 31.74 0.03 1 198 60 60 VAL N N 118.38 0.01 1 199 61 61 ARG H H 7.16 0.01 1 200 61 61 ARG CA C 58.26 0.01 1 201 61 61 ARG CB C 29.23 0.01 1 202 61 61 ARG N N 118.98 0.01 1 203 63 63 VAL H H 8.49 0.01 1 204 63 63 VAL CA C 68.23 0.22 1 205 63 63 VAL CB C 31.80 0.08 1 206 63 63 VAL N N 118.78 0.01 1 207 64 64 GLU H H 8.68 0.01 1 208 64 64 GLU CA C 60.65 0.21 1 209 64 64 GLU CB C 30.23 0.04 1 210 64 64 GLU N N 119.18 0.01 1 211 65 65 GLU H H 8.28 0.01 1 212 65 65 GLU CA C 57.97 0.29 1 213 65 65 GLU CB C 29.47 0.07 1 214 65 65 GLU N N 115.08 0.01 1 215 66 66 LEU H H 9.05 0.01 1 216 66 66 LEU CA C 58.46 0.28 1 217 66 66 LEU CB C 41.60 0.01 1 218 66 66 LEU N N 124.18 0.01 1 219 67 67 LEU H H 8.29 0.01 1 220 67 67 LEU CA C 58.11 0.87 1 221 67 67 LEU CB C 42.75 0.10 1 222 67 67 LEU N N 119.38 0.01 1 223 68 68 ARG H H 8.33 0.01 1 224 68 68 ARG CB C 30.79 0.01 1 225 68 68 ARG N N 119.18 0.01 1 226 69 69 GLY H H 7.66 0.01 1 227 69 69 GLY CA C 46.31 0.87 1 228 69 69 GLY N N 132.78 0.01 1 229 70 70 GLU H H 7.98 0.01 1 230 70 70 GLU CA C 57.89 0.12 1 231 70 70 GLU CB C 31.75 0.31 1 232 70 70 GLU N N 119.48 0.01 1 233 71 71 MET H H 8.65 0.01 1 234 71 71 MET CA C 56.35 0.15 1 235 71 71 MET CB C 35.36 0.11 1 236 71 71 MET N N 119.08 0.01 1 237 72 72 SER H H 8.73 0.01 1 238 72 72 SER CA C 60.22 3.78 1 239 72 72 SER CB C 62.81 3.57 1 240 72 72 SER N N 118.18 0.01 1 241 73 73 GLN H H 8.81 0.01 1 242 73 73 GLN CA C 59.58 0.56 1 243 73 73 GLN CB C 29.48 0.70 1 244 73 73 GLN N N 120.28 0.01 1 245 74 74 ARG H H 7.60 0.01 1 246 74 74 ARG CA C 59.81 0.69 1 247 74 74 ARG CB C 30.25 0.25 1 248 74 74 ARG N N 117.38 0.01 1 249 75 75 GLU H H 7.67 0.01 1 250 75 75 GLU CA C 59.28 0.18 1 251 75 75 GLU CB C 30.25 0.05 1 252 75 75 GLU N N 119.48 0.01 1 253 76 76 LEU H H 8.40 0.01 1 254 76 76 LEU CA C 58.31 0.08 1 255 76 76 LEU CB C 42.68 0.09 1 256 76 76 LEU N N 121.18 0.01 1 257 77 77 LYS H H 7.97 0.01 1 258 77 77 LYS CA C 59.65 0.11 1 259 77 77 LYS CB C 32.31 0.10 1 260 77 77 LYS N N 119.78 0.01 1 261 78 78 ASN H H 7.87 0.01 1 262 78 78 ASN CA C 55.73 0.10 1 263 78 78 ASN CB C 39.05 0.12 1 264 78 78 ASN N N 117.38 0.01 1 265 79 79 GLU H H 8.56 0.01 1 266 79 79 GLU CA C 58.50 0.21 1 267 79 79 GLU CB C 30.20 0.15 1 268 79 79 GLU N N 118.78 0.01 1 269 80 80 LEU H H 8.02 0.01 1 270 80 80 LEU CA C 55.23 0.18 1 271 80 80 LEU CB C 43.28 0.16 1 272 80 80 LEU N N 114.78 0.01 1 273 81 81 GLY H H 7.89 0.01 1 274 81 81 GLY CA C 46.51 0.15 1 275 81 81 GLY N N 108.28 0.01 1 276 82 82 ALA H H 7.04 0.01 1 277 82 82 ALA CA C 50.90 0.15 1 278 82 82 ALA CB C 21.08 0.05 1 279 82 82 ALA N N 121.38 0.01 1 280 83 83 GLY H H 8.31 0.01 1 281 83 83 GLY CA C 45.01 0.01 1 282 83 83 GLY N N 105.98 0.01 1 283 87 87 ILE H H 7.90 0.01 1 284 87 87 ILE N N 121.68 0.01 1 285 89 89 ARG H H 7.74 0.01 1 286 89 89 ARG CA C 59.91 0.16 1 287 89 89 ARG CB C 29.51 0.11 1 288 89 89 ARG N N 121.68 0.01 1 289 90 90 GLY H H 7.65 0.01 1 290 90 90 GLY CA C 47.34 0.20 1 291 90 90 GLY N N 109.38 0.01 1 292 91 91 SER H H 8.28 0.01 1 293 91 91 SER CA C 61.52 0.01 1 294 91 91 SER CB C 62.89 0.01 1 295 91 91 SER N N 116.28 0.01 1 296 92 92 ASN H H 8.45 0.01 1 297 92 92 ASN N N 119.08 0.01 1 298 93 93 SER H H 7.92 0.01 1 299 93 93 SER CA C 58.43 0.03 1 300 93 93 SER CB C 63.29 0.31 1 301 93 93 SER N N 116.98 0.01 1 302 94 94 LEU H H 8.35 0.01 1 303 94 94 LEU CA C 57.99 0.32 1 304 94 94 LEU CB C 42.50 0.13 1 305 94 94 LEU N N 123.88 0.01 1 306 95 95 LYS H H 7.80 0.01 1 307 95 95 LYS CA C 59.44 0.04 1 308 95 95 LYS CB C 32.66 0.09 1 309 95 95 LYS N N 117.98 0.01 1 310 96 96 ALA H H 7.10 0.01 1 311 96 96 ALA CA C 52.10 0.07 1 312 96 96 ALA CB C 19.50 0.20 1 313 96 96 ALA N N 118.18 0.01 1 314 97 97 ALA H H 7.34 0.01 1 315 97 97 ALA CA C 50.64 0.01 1 316 97 97 ALA CB C 17.75 0.01 1 317 97 97 ALA N N 123.18 0.01 1 318 98 98 PRO CA C 63.00 0.09 1 319 98 98 PRO CB C 32.65 0.05 1 320 99 99 VAL H H 8.82 0.01 1 321 99 99 VAL CA C 66.62 0.12 1 322 99 99 VAL CB C 32.11 0.02 1 323 99 99 VAL N N 125.08 0.01 1 324 100 100 GLU H H 9.68 0.01 1 325 100 100 GLU CA C 60.37 0.15 1 326 100 100 GLU CB C 28.78 0.09 1 327 100 100 GLU N N 118.88 0.01 1 328 101 101 LEU H H 7.28 0.01 1 329 101 101 LEU CA C 57.64 0.12 1 330 101 101 LEU CB C 42.37 0.19 1 331 101 101 LEU N N 117.28 0.01 1 332 102 102 ARG H H 7.93 0.01 1 333 102 102 ARG CA C 61.49 0.18 1 334 102 102 ARG CB C 30.39 0.15 1 335 102 102 ARG N N 119.88 0.01 1 336 103 103 GLN H H 8.74 0.01 1 337 103 103 GLN CA C 59.29 0.09 1 338 103 103 GLN CB C 28.72 0.11 1 339 103 103 GLN N N 116.08 0.01 1 340 104 104 TRP H H 7.51 0.01 1 341 104 104 TRP CA C 62.09 0.21 1 342 104 104 TRP CB C 28.49 0.25 1 343 104 104 TRP N N 121.28 0.01 1 344 105 105 LEU H H 8.87 0.01 1 345 105 105 LEU CA C 58.00 0.12 1 346 105 105 LEU CB C 43.01 0.14 1 347 105 105 LEU N N 117.38 0.01 1 348 106 106 GLU H H 8.01 0.01 1 349 106 106 GLU CA C 60.30 0.19 1 350 106 106 GLU CB C 29.91 0.10 1 351 106 106 GLU N N 117.18 0.01 1 352 107 107 GLU H H 7.43 0.01 1 353 107 107 GLU CA C 59.40 0.11 1 354 107 107 GLU CB C 29.93 0.07 1 355 107 107 GLU N N 118.08 0.01 1 356 108 108 VAL H H 7.96 0.01 1 357 108 108 VAL CA C 64.56 0.15 1 358 108 108 VAL CB C 32.40 0.12 1 359 108 108 VAL N N 113.28 0.01 1 360 109 109 LEU H H 8.39 0.01 1 361 109 109 LEU CA C 56.27 0.20 1 362 109 109 LEU CB C 42.73 0.16 1 363 109 109 LEU N N 117.38 0.01 1 364 110 110 LEU H H 7.06 0.01 1 365 110 110 LEU CA C 55.36 0.13 1 366 110 110 LEU CB C 41.41 0.09 1 367 110 110 LEU N N 114.98 0.01 1 368 111 111 LYS H H 7.21 0.01 1 369 111 111 LYS CA C 56.65 0.14 1 370 111 111 LYS CB C 32.95 0.21 1 371 111 111 LYS N N 119.28 0.01 1 372 112 112 SER H H 8.11 0.01 1 373 112 112 SER CA C 58.29 0.21 1 374 112 112 SER CB C 64.54 0.18 1 375 112 112 SER N N 117.28 0.01 1 376 113 113 ASP H H 7.94 0.01 1 377 113 113 ASP CA C 56.01 0.01 1 378 113 113 ASP CB C 42.33 0.01 1 379 113 113 ASP N N 127.68 0.01 1 stop_ save_ save_heteronuclear_T1_list_1 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $sample_relax stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _T1_coherence_type Nz _T1_value_units ms _Mol_system_component_name subunit _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 9 GLN N 1338.00 77.78 2 12 TYR N 723.50 0.14 3 14 ALA N 784.70 15.56 4 16 MET N 677.20 45.82 5 17 ALA N 771.45 5.87 6 19 GLN N 631.60 89.24 7 21 HIS N 835.30 30.83 8 22 GLN N 726.40 17.40 9 23 GLU N 743.35 79.55 10 24 TRP N 846.15 30.05 11 25 LEU N 830.10 12.45 12 26 ARG N 779.25 50.13 13 27 PHE N 687.55 1.20 14 28 VAL N 823.70 11.74 15 30 LEU N 718.95 1.77 16 32 LYS N 837.30 33.38 17 33 ASN N 850.85 22.70 18 34 ALA N 814.65 51.97 19 35 TYR N 785.30 17.25 20 36 GLN N 872.15 32.46 21 37 ASN N 815.30 39.60 22 38 ASP N 835.10 55.86 23 39 LEU N 830.30 37.05 24 40 HIS N 785.75 5.59 25 41 LEU N 859.55 2.33 26 43 LEU N 831.00 40.59 27 44 LEU N 769.60 38.18 28 46 LEU N 733.90 56.43 29 47 MET N 784.40 27.15 30 48 LEU N 776.75 8.98 31 51 ASP N 902.10 19.52 32 52 GLU N 870.20 1.41 33 53 ARG N 784.50 35.36 34 54 GLU N 876.05 41.37 35 55 ALA N 832.65 97.65 36 56 LEU N 836.00 70.99 37 57 GLY N 848.75 47.45 38 59 ARG N 830.75 6.86 39 60 VAL N 782.05 73.89 40 63 VAL N 829.55 66.12 41 65 GLU N 802.15 27.93 42 66 LEU N 783.30 132.79 43 67 LEU N 885.65 30.62 44 68 ARG N 855.95 11.38 45 69 GLY N 869.75 30.90 46 70 GLU N 850.45 109.11 47 72 SER N 732.90 171.54 48 73 GLN N 836.50 16.55 49 75 GLU N 808.50 41.01 50 76 LEU N 727.95 104.58 51 78 ASN N 818.20 20.22 52 79 GLU N 845.90 23.33 53 83 GLY N 882.70 55.72 54 89 ARG N 699.00 7.78 55 90 GLY N 760.35 67.25 56 91 SER N 731.95 12.23 57 92 ASN N 785.30 17.25 58 94 LEU N 805.45 27.93 59 95 LYS N 782.05 73.89 60 96 ALA N 778.55 17.75 61 97 ALA N 954.65 49.14 62 99 VAL N 846.35 47.02 63 100 GLU N 819.75 72.05 64 101 LEU N 785.95 12.94 65 102 ARG N 779.25 50.13 66 103 GLN N 848.10 53.32 67 104 TRP N 769.50 80.61 68 105 LEU N 771.45 45.47 69 106 GLU N 879.20 45.26 70 107 GLU N 850.30 97.02 71 108 VAL N 866.45 45.18 72 109 LEU N 809.05 61.17 73 110 LEU N 761.55 21.14 74 111 LYS N 680.55 49.99 75 112 SER N 824.75 29.63 76 113 ASP N 1260.00 106.07 stop_ save_ save_heteronuclear_T2_list_1 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $sample_relax stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _T2_coherence_type Nz _T2_value_units ms _Mol_system_component_name subunit _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 9 GLN N 656.90 133.93 . . 2 12 TYR N 230.50 17.82 . . 3 14 ALA N 141.55 0.35 . . 4 16 MET N 132.75 3.75 . . 5 17 ALA N 110.60 2.12 . . 6 19 GLN N 95.47 2.85 . . 7 21 HIS N 77.37 5.02 . . 8 22 GLN N 84.29 2.93 . . 9 23 GLU N 78.28 3.33 . . 10 24 TRP N 73.27 5.01 . . 11 25 LEU N 73.40 5.70 . . 12 26 ARG N 77.69 0.81 . . 13 27 PHE N 76.58 2.09 . . 14 28 VAL N 70.83 0.70 . . 15 30 LEU N 75.59 2.87 . . 16 32 LYS N 56.25 4.08 . . 17 33 ASN N 71.79 2.50 . . 18 34 ALA N 76.03 1.31 . . 19 35 TYR N 76.90 0.88 . . 20 36 GLN N 74.98 1.33 . . 21 37 ASN N 80.77 2.49 . . 22 38 ASP N 73.45 2.59 . . 23 39 LEU N 77.53 0.81 . . 24 40 HIS N 73.26 0.86 . . 25 41 LEU N 70.13 4.28 . . 26 43 LEU N 72.84 4.79 . . 27 44 LEU N 75.02 1.90 . . 28 46 LEU N 77.12 2.62 . . 29 47 MET N 75.03 1.83 . . 30 48 LEU N 70.66 2.86 . . 31 51 ASP N 70.00 0.80 . . 32 52 GLU N 70.10 4.21 . . 33 53 ARG N 80.26 3.70 . . 34 54 GLU N 69.21 1.57 . . 35 55 ALA N 68.69 1.40 . . 36 56 LEU N 70.74 3.02 . . 37 57 GLY N 71.10 4.09 . . 38 59 ARG N 68.77 0.78 . . 39 60 VAL N 75.62 2.02 . . 40 63 VAL N 69.93 2.99 . . 41 65 GLU N 66.31 2.72 . . 42 66 LEU N 65.71 3.82 . . 43 67 LEU N 71.73 4.21 . . 44 68 ARG N 71.45 2.87 . . 45 69 GLY N 70.16 5.18 . . 46 70 GLU N 84.03 3.16 . . 47 72 SER N 83.51 4.23 . . 48 73 GLN N 81.36 4.26 . . 49 75 GLU N 84.00 3.47 . . 50 76 LEU N 86.82 3.56 . . 51 78 ASN N 80.69 1.73 . . 52 79 GLU N 85.78 1.38 . . 53 83 GLY N 96.62 2.74 . . 54 89 ARG N 75.91 1.22 . . 55 90 GLY N 74.63 3.51 . . 56 91 SER N 73.97 1.15 . . 57 92 ASN N 76.90 0.88 . . 58 94 LEU N 77.58 1.73 . . 59 95 LYS N 75.62 2.02 . . 60 96 ALA N 79.70 2.43 . . 61 97 ALA N 76.39 0.23 . . 62 99 VAL N 79.99 2.97 . . 63 100 GLU N 73.45 2.86 . . 64 101 LEU N 76.63 1.17 . . 65 102 ARG N 77.69 0.81 . . 66 103 GLN N 72.01 1.86 . . 67 104 TRP N 75.84 0.57 . . 68 105 LEU N 72.26 1.01 . . 69 106 GLU N 73.25 2.40 . . 70 107 GLU N 76.90 2.60 . . 71 108 VAL N 77.26 2.33 . . 72 109 LEU N 78.15 3.09 . . 73 110 LEU N 81.15 3.58 . . 74 111 LYS N 148.95 4.31 . . 75 112 SER N 389.15 34.15 . . 76 113 ASP N 807.10 27.86 . . stop_ save_ save_heteronuclear_noe_list_1 _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 subunit _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'peak height' _NOE_reference_value 20000 _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 9 GLN -1.60 0.05 12 TYR -0.25 0.08 14 ALA 0.19 0.04 16 MET 0.31 0.04 17 ALA 0.42 0.01 19 GLN 0.53 0.05 21 HIS 0.67 0.14 22 GLN 0.69 0.04 23 GLU 0.77 0.01 24 TRP 0.85 0.03 25 LEU 0.84 0.01 26 ARG 0.78 0.04 27 PHE 0.77 0.10 28 VAL 0.75 0.05 30 LEU 0.77 0.01 32 LYS 0.80 0.09 33 ASN 0.78 0.06 34 ALA 0.85 0.02 35 TYR 0.82 0.01 36 GLN 0.81 0.05 37 ASN 0.80 0.04 38 ASP 0.76 0.02 39 LEU 0.73 0.08 40 HIS 0.78 0.01 41 LEU 0.81 0.12 43 LEU 0.74 0.06 44 LEU 0.82 0.02 46 LEU 0.79 0.02 47 MET 0.86 0.01 48 LEU 0.81 0.07 51 ASP 0.81 0.02 52 GLU 0.76 0.03 53 ARG 0.71 0.10 54 GLU 0.78 0.07 55 ALA 0.77 0.08 56 LEU 0.84 0.01 57 GLY 0.81 0.05 59 ARG 0.82 0.07 60 VAL 0.80 0.02 63 VAL 0.84 0.03 65 GLU 0.80 0.04 66 LEU 0.82 0.01 67 LEU 0.78 0.01 68 ARG 0.78 0.01 69 GLY 0.79 0.01 70 GLU 0.71 0.03 72 SER 0.65 0.04 73 GLN 0.62 0.02 75 GLU 0.63 0.02 76 LEU 0.64 0.05 78 ASN 0.68 0.07 79 GLU 0.75 0.10 83 GLY 0.64 0.16 89 ARG 0.79 0.02 90 GLY 0.78 0.02 91 SER 0.81 0.03 92 ASN 0.80 0.02 94 LEU 0.79 0.03 95 LYS 0.80 0.02 96 ALA 0.76 0.03 97 ALA 0.78 0.07 99 VAL 0.76 0.06 100 GLU 0.80 0.03 101 LEU 0.88 0.02 102 ARG 0.78 0.04 103 GLN 0.82 0.01 104 TRP 0.77 0.04 105 LEU 0.78 0.02 106 GLU 0.73 0.04 107 GLU 0.79 0.01 108 VAL 0.79 0.01 109 LEU 0.72 0.06 110 LEU 0.66 0.04 111 LYS 0.29 0.02 112 SER -0.36 0.01 113 ASP -1.23 0.02 stop_ save_ save_order_parameter_list_1 _Saveframe_category S2_parameters _Details . loop_ _Sample_label $sample_relax $sample_relax $sample_relax stop_ _Sample_conditions_label $sample_conditions_1 _Mol_system_component_name subunit _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 12 TYR N 5 0.22 0.03 808.00 56.00 0.83 0.02 0.27 0.03 . . . . . . 14 ALA N 5 0.45 0.00 878.00 41.00 0.80 0.01 0.56 0.01 . . . . . . 16 MET N 5 0.46 0.02 1100.00 83.70 0.87 0.04 0.53 0.04 . . . . . . 17 ALA N 5 0.61 0.02 931.00 38.80 0.85 0.01 0.72 0.01 . . . . . . 19 GLN N 2 0.68 0.03 1320.00 357.00 . . 0.68 0.03 . . . . . . 21 HIS N 1 0.88 0.03 . . . . 0.88 0.03 . . . . . . 22 GLN N 5 0.80 0.04 1380.00 371.00 0.93 0.03 0.86 0.02 . . . . . . 23 GLU N 2 0.90 0.03 29.60 70.20 . . 0.90 0.03 . . . . . . 24 TRP N 1 0.89 0.03 . . . . 0.89 0.03 . . . . . . 25 LEU N 1 0.90 0.01 . . . . 0.90 0.01 . . . . . . 26 ARG N 1 0.90 0.01 . . . . 0.90 0.01 . . . . . . 27 PHE N 2 0.92 0.02 1370.00 348.00 . . 0.92 0.02 . . . . . . 28 VAL N 3 0.88 0.01 . . . . 0.88 0.01 . . . . . . 30 LEU N 2 0.96 0.01 1100.00 93.50 . . 0.96 0.01 . . . . . . 32 LYS N 3 0.88 0.03 . . . . 0.88 0.03 . . . . . . 33 ASN N 3 0.87 0.02 . . . . 0.87 0.02 . . . . . . 34 ALA N 1 0.92 0.02 . . . . 0.92 0.02 . . . . . . 35 TYR N 1 0.92 0.01 . . . . 0.92 0.01 . . . . . . 36 GLN N 3 0.84 0.03 . . . . 0.84 0.03 . . . . . . 37 ASN N 1 0.87 0.02 . . . . 0.87 0.02 . . . . . . 38 ASP N 2 0.93 0.03 46.90 326.00 . . 0.93 0.03 . . . . . . 39 LEU N 1 0.92 0.01 . . . . 0.92 0.01 . . . . . . 40 HIS N 2 0.94 0.01 42.20 8.16 . . 0.94 0.01 . . . . . . 41 LEU N 3 0.85 0.00 . . . . 0.85 0.00 . . . . . . 43 LEU N 1 0.91 0.03 . . . . 0.91 0.03 . . . . . . 44 LEU N 1 0.95 0.02 . . . . 0.95 0.02 . . . . . . 46 LEU N 1 0.93 0.03 . . . . 0.93 0.03 . . . . . . 47 MET N 1 0.94 0.02 . . . . 0.94 0.02 . . . . . . 48 LEU N 1 0.95 0.01 . . . . 0.95 0.01 . . . . . . 51 ASP N 3 0.83 0.02 . . . . 0.83 0.02 . . . . . . 52 GLU N 1 0.85 0.00 . . . . 0.85 0.00 . . . . . . 53 ARG N 1 0.90 0.03 . . . . 0.90 0.03 . . . . . . 54 GLU N 3 0.86 0.04 . . . . 0.86 0.04 . . . . . . 56 LEU N 1 0.97 0.03 . . . . 0.97 0.03 . . . . . . 57 GLY N 1 0.92 0.04 . . . . 0.92 0.04 . . . . . . 59 ARG N 3 0.89 0.01 . . . . 0.89 0.01 . . . . . . 60 VAL N 1 0.94 0.03 . . . . 0.94 0.03 . . . . . . 63 VAL N 1 0.96 0.03 . . . . 0.96 0.03 . . . . . . 65 GLU N 1 0.97 0.02 . . . . 0.97 0.02 . . . . . . 67 LEU N 4 0.82 0.02 11.20 2.27 . . 0.82 0.02 . . . . . . 68 ARG N 4 0.85 0.01 14.00 1.62 . . 0.85 0.01 . . . . . . 69 GLY N 2 0.87 0.03 12.40 4.21 . . 0.87 0.03 . . . . . . 70 GLU N 2 0.82 0.03 30.30 301.00 . . 0.82 0.03 . . . . . . 72 SER N 2 0.85 0.05 58.90 646.00 . . 0.85 0.05 . . . . . . 73 GLN N 2 0.83 0.02 60.10 9.64 . . 0.83 0.02 . . . . . . 75 GLU N 2 0.85 0.03 62.80 57.50 . . 0.85 0.03 . . . . . . 76 LEU N 2 0.76 0.04 1500.00 509.00 . . 0.76 0.04 . . . . . . 78 ASN N 2 0.86 0.02 60.20 25.20 . . 0.86 0.02 . . . . . . 79 GLU N 1 0.84 0.01 . . . . 0.84 0.01 . . . . . . 83 GLY N 1 0.75 0.02 . . . . 0.75 0.02 . . . . . . 89 ARG N 2 0.95 0.01 1730.00 265.00 . . 0.95 0.01 . . . . . . 90 GLY N 1 0.96 0.04 . . . . 0.96 0.04 . . . . . . 91 SER N 1 0.98 0.01 . . . . 0.98 0.01 . . . . . . 92 ASN N 1 0.92 0.01 . . . . 0.92 0.01 . . . . . . 94 LEU N 1 0.90 0.02 . . . . 0.90 0.02 . . . . . . 95 LYS N 1 0.94 0.02 . . . . 0.94 0.02 . . . . . . 96 ALA N 1 0.92 0.02 . . . . 0.92 0.02 . . . . . . 97 ALA N 3 0.77 0.04 . . . . 0.77 0.04 . . . . . . 99 VAL N 1 0.88 0.03 . . . . 0.88 0.03 . . . . . . 100 GLU N 1 0.95 0.03 . . . . 0.95 0.03 . . . . . . 101 LEU N 1 0.93 0.01 . . . . 0.93 0.01 . . . . . . 102 ARG N 1 0.92 0.01 . . . . 0.92 0.01 . . . . . . 103 GLN N 1 0.95 0.02 . . . . 0.95 0.02 . . . . . . 104 TRP N 1 0.92 0.01 . . . . 0.92 0.01 . . . . . . 105 LEU N 1 0.96 0.01 . . . . 0.96 0.01 . . . . . . 106 GLU N 1 0.92 0.02 . . . . 0.92 0.02 . . . . . . 107 GLU N 2 0.90 0.03 16.80 181.00 . . 0.90 0.03 . . . . . . 108 VAL N 2 0.89 0.02 16.30 4.98 . . 0.89 0.02 . . . . . . 109 LEU N 1 0.91 0.03 . . . . 0.91 0.03 . . . . . . 110 LEU N 2 0.91 0.02 112.00 99.10 . . 0.91 0.02 . . . . . . 111 LYS N 5 0.39 0.02 1150.00 57.40 0.84 0.04 0.47 0.04 . . . . . . 112 SER N 5 0.09 0.02 835.00 14.90 0.70 0.02 0.13 0.02 . . . . . . stop_ _Tau_s_value_units ps save_