data_17489 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N Chemical Shift Assignments for the FF domain L24A mutant ; _BMRB_accession_number 17489 _BMRB_flat_file_name bmr17489.str _Entry_type original _Submission_date 2011-02-24 _Accession_date 2011-02-24 _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 Korzhnev Dmitry M. . 2 Vernon Robert M. . 3 Religa Tomasz L. . 4 Hansen Alex . . 5 Baker David . . 6 Fersht Alan R. . 7 Kay Lewis E. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 residual_dipolar_couplings 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 123 "13C chemical shifts" 120 "15N chemical shifts" 66 "residual dipolar couplings" 45 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-03-08 update BMRB 'update entry citation' 2011-06-07 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Nonnative interactions in the FF domain folding pathway from an atomic resolution structure of a sparsely populated intermediate: an NMR relaxation dispersion study.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21639149 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Korzhnev Dmitry M. . 2 Vernon Robert M. . 3 Religa Tomasz L. . 4 Hansen Alexandar L. . 5 Baker David . . 6 Fersht Alan R. . 7 Kay Lewis E. . stop_ _Journal_abbreviation 'J. Am. Chem. Soc.' _Journal_name_full 'Journal of the American Chemical Society' _Journal_volume 133 _Journal_issue 28 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 10974 _Page_last 10982 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'FF domain L24A mutant' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label FF_Domain_L24A $FF_Domain_L24A stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_FF_Domain_L24A _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common FF_Domain_L24A _Molecular_mass 5734.680 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 70 _Mol_residue_sequence ; SQPAKKTYTWNTKEEAKQAF KEALKEKRVPSNASWEQAMK MIINDPRYSALAKLSEKKQA FNAYKVQTEK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 2 SER 2 3 GLN 3 4 PRO 4 5 ALA 5 6 LYS 6 7 LYS 7 8 THR 8 9 TYR 9 10 THR 10 11 TRP 11 12 ASN 12 13 THR 13 14 LYS 14 15 GLU 15 16 GLU 16 17 ALA 17 18 LYS 18 19 GLN 19 20 ALA 20 21 PHE 21 22 LYS 22 23 GLU 23 24 ALA 24 25 LEU 25 26 LYS 26 27 GLU 27 28 LYS 28 29 ARG 29 30 VAL 30 31 PRO 31 32 SER 32 33 ASN 33 34 ALA 34 35 SER 35 36 TRP 36 37 GLU 37 38 GLN 38 39 ALA 39 40 MET 40 41 LYS 41 42 MET 42 43 ILE 43 44 ILE 44 45 ASN 45 46 ASP 46 47 PRO 47 48 ARG 48 49 TYR 49 50 SER 50 51 ALA 51 52 LEU 52 53 ALA 53 54 LYS 54 55 LEU 55 56 SER 56 57 GLU 57 58 LYS 58 59 LYS 59 60 GLN 60 61 ALA 61 62 PHE 62 63 ASN 63 64 ALA 64 65 TYR 65 66 LYS 66 67 VAL 67 68 GLN 68 69 THR 69 70 GLU 70 71 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-03-22 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 18010 FF11-60 70.00 50 97.96 97.96 6.96e-24 BMRB 19591 FF_domain_L24A_mutant 100.00 71 100.00 100.00 1.18e-40 BMRB 26520 A39G_FF 100.00 71 98.57 98.57 7.89e-40 PDB 1UZC "The Structure Of An Ff Domain From Human HypaFBP11" 100.00 71 98.57 98.57 7.31e-40 PDB 2KZG "A Transient And Low Populated Protein Folding Intermediate At Atomic Resolution" 100.00 71 98.57 98.57 7.31e-40 PDB 2L9V "Nmr Structure Of The Ff Domain L24a Mutant's Folding Transition State" 70.00 49 100.00 100.00 5.09e-25 PDB 2LKS Ff11-60 70.00 50 97.96 97.96 6.96e-24 DBJ BAB15016 "unnamed protein product [Homo sapiens]" 100.00 323 98.57 98.57 3.41e-38 DBJ BAG60744 "unnamed protein product [Homo sapiens]" 100.00 816 98.57 98.57 9.57e-37 GB AAC27501 "huntingtin-interacting protein HYPA/FBP11 [Homo sapiens]" 97.14 423 97.06 97.06 2.22e-36 GB AAC27506 "huntingtin-interacting protein HYPA/FBP11 [Homo sapiens]" 97.14 452 97.06 97.06 3.04e-36 GB AAD39463 "formin binding protein 11 [Mus musculus]" 100.00 953 98.57 98.57 1.67e-36 GB AAH11788 "PRPF40A protein, partial [Homo sapiens]" 100.00 411 97.14 98.57 2.33e-37 GB AAH29414 "PRPF40A protein, partial [Homo sapiens]" 95.71 414 98.51 98.51 4.47e-36 REF NP_001099950 "pre-mRNA-processing factor 40 homolog A [Rattus norvegicus]" 100.00 953 98.57 98.57 1.77e-36 REF NP_001231502 "pre-mRNA-processing factor 40 homolog A [Sus scrofa]" 98.57 957 98.55 98.55 5.61e-36 REF NP_060362 "pre-mRNA-processing factor 40 homolog A [Homo sapiens]" 100.00 930 98.57 98.57 1.38e-36 REF NP_061255 "pre-mRNA-processing factor 40 homolog A [Mus musculus]" 100.00 953 98.57 98.57 1.67e-36 REF XP_001365479 "PREDICTED: pre-mRNA-processing factor 40 homolog A isoform X1 [Monodelphis domestica]" 100.00 1038 98.57 98.57 2.03e-36 SP O75400 "RecName: Full=Pre-mRNA-processing factor 40 homolog A; AltName: Full=Fas ligand-associated factor 1; AltName: Full=Formin-bindi" 100.00 957 98.57 98.57 1.56e-36 SP Q9R1C7 "RecName: Full=Pre-mRNA-processing factor 40 homolog A; AltName: Full=Formin-binding protein 11; Short=FBP-11; AltName: Full=For" 100.00 953 98.57 98.57 1.67e-36 TPG DAA32724 "TPA: formin binding protein 3-like [Bos taurus]" 100.00 929 98.57 98.57 1.38e-36 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $FF_Domain_L24A human 9606 Eukaryota Metazoa Homo sapiens 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 $FF_Domain_L24A 'recombinant technology' 'Escherichia coli' Escherichia coli . 'PRSET A' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $FF_Domain_L24A . mM 1 2 '[U-13C; U-15N; U-2H]' 'sodium chloride' 100 mM . . 'natural abundance' 'sodium acetate' 50 mM . . 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $FF_Domain_L24A . mM 1 2 '[U-100% 13C; U-100% 15N; U-50% 2H]' 'sodium chloride' 100 mM . . 'natural abundance' 'sodium acetate' 50 mM . . 'natural abundance' stop_ save_ save_rdc_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $FF_Domain_L24A . mM 1 2 '[U-13C; U-15N; U-2H]' 'sodium chloride' 100 mM . . 'natural abundance' 'sodium acetate' 50 mM . . 'natural abundance' C12E5/n-hexanol 5 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CSRosetta _Saveframe_category software _Name CS-Rosetta _Version . loop_ _Vendor _Address _Electronic_address 'Yang Shen, Robert Vernon, David Baker and Ad Bax' . . stop_ loop_ _Task modeling stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_PALES _Saveframe_category software _Name PALES _Version . loop_ _Vendor _Address _Electronic_address 'Markus Zweckstetter and Ad Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_CPMG_1 _Saveframe_category NMR_applied_experiment _Experiment_name CPMG _Sample_label $sample_1 save_ save_CPMG_2 _Saveframe_category NMR_applied_experiment _Experiment_name CPMG _Sample_label $rdc_1 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' 145 . mM pH 5.7 . pH pressure 1 . atm temperature 303 . 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 carbon' ppm 0 na indirect . . . 1 DSS H 1 'methyl protons' ppm 0 internal indirect . . . 1 DSS N 15 nitrogen ppm 0 na indirect . . . 1 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 CPMG 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 FF_Domain_L24A _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 2 1 SER C C 174.276 . 2 2 3 2 GLN H H 8.446 . 2 3 3 2 GLN HA H 4.671 . 2 4 3 2 GLN CA C 53.944 . 2 5 3 2 GLN N N 122.894 . 2 6 4 3 PRO HA H 4.420 . 2 7 4 3 PRO C C 176.649 . 2 8 4 3 PRO CA C 63.389 . 2 9 5 4 ALA H H 8.358 . 2 10 5 4 ALA HA H 4.285 . 2 11 5 4 ALA C C 177.820 . 2 12 5 4 ALA CA C 52.373 . 2 13 5 4 ALA N N 124.657 . 2 14 6 5 LYS H H 8.203 . 2 15 6 5 LYS HA H 4.291 . 2 16 6 5 LYS C C 176.515 . 2 17 6 5 LYS CA C 56.215 . 2 18 6 5 LYS N N 121.077 . 2 19 7 6 LYS H H 8.294 . 2 20 7 6 LYS C C 176.320 . 2 21 7 6 LYS N N 123.386 . 2 22 8 7 THR H H 8.009 . 2 23 8 7 THR HA H 4.242 . 2 24 8 7 THR C C 173.780 . 2 25 8 7 THR CA C 61.576 . 2 26 8 7 THR N N 115.881 . 2 27 9 8 TYR H H 8.179 . 2 28 9 8 TYR HA H 4.545 . 2 29 9 8 TYR C C 175.479 . 2 30 9 8 TYR CA C 57.582 . 2 31 9 8 TYR N N 122.622 . 2 32 10 9 THR H H 7.862 . 2 33 10 9 THR HA H 4.224 . 2 34 10 9 THR CA C 61.570 . 2 35 10 9 THR N N 115.758 . 2 36 11 10 TRP H H 7.948 . 2 37 11 10 TRP HA H 4.659 . 2 38 11 10 TRP C C 175.885 . 2 39 11 10 TRP CA C 57.305 . 2 40 11 10 TRP N N 122.316 . 2 41 12 11 ASN H H 8.406 . 2 42 12 11 ASN HA H 4.692 . 2 43 12 11 ASN CA C 53.862 . 2 44 12 11 ASN N N 119.980 . 2 45 13 12 THR H H 7.868 . 2 46 13 12 THR HA H 4.435 . 2 47 13 12 THR C C 174.968 . 2 48 13 12 THR CA C 61.114 . 2 49 13 12 THR N N 112.320 . 2 50 14 13 LYS H H 9.495 . 2 51 14 13 LYS HA H 4.220 . 2 52 14 13 LYS C C 177.768 . 2 53 14 13 LYS CA C 58.108 . 2 54 14 13 LYS N N 122.764 . 2 55 15 14 GLU H H 8.304 . 2 56 15 14 GLU HA H 4.122 . 2 57 15 14 GLU C C 177.989 . 2 58 15 14 GLU CA C 58.487 . 2 59 15 14 GLU N N 120.850 . 2 60 16 15 GLU H H 8.165 . 2 61 16 15 GLU HA H 4.195 . 2 62 16 15 GLU C C 177.809 . 2 63 16 15 GLU CA C 58.063 . 2 64 16 15 GLU N N 121.042 . 2 65 17 16 ALA H H 7.929 . 2 66 17 16 ALA HA H 3.857 . 2 67 17 16 ALA C C 178.494 . 2 68 17 16 ALA CA C 54.016 . 2 69 17 16 ALA N N 123.692 . 2 70 18 17 LYS H H 7.962 . 2 71 18 17 LYS HA H 4.063 . 2 72 18 17 LYS C C 178.031 . 2 73 18 17 LYS CA C 58.710 . 2 74 18 17 LYS N N 119.118 . 2 75 19 18 GLN H H 7.999 . 2 76 19 18 GLN C C 176.953 . 2 77 19 18 GLN CA C 57.371 . 2 78 19 18 GLN N N 119.841 . 2 79 20 19 ALA H H 8.007 . 2 80 20 19 ALA HA H 4.185 . 2 81 20 19 ALA C C 178.456 . 2 82 20 19 ALA CA C 54.148 . 2 83 20 19 ALA N N 123.397 . 2 84 21 20 PHE H H 8.049 . 2 85 21 20 PHE HA H 4.327 . 2 86 21 20 PHE C C 176.183 . 2 87 21 20 PHE CA C 59.670 . 2 88 21 20 PHE N N 119.266 . 2 89 22 21 LYS H H 7.912 . 2 90 22 21 LYS HA H 3.990 . 2 91 22 21 LYS C C 178.052 . 2 92 22 21 LYS CA C 58.903 . 2 93 22 21 LYS N N 120.665 . 2 94 23 22 GLU H H 8.073 . 2 95 23 22 GLU HA H 4.132 . 2 96 23 22 GLU C C 177.367 . 2 97 23 22 GLU CA C 58.106 . 2 98 23 22 GLU N N 120.435 . 2 99 24 23 ALA H H 8.057 . 2 100 24 23 ALA HA H 4.099 . 2 101 24 23 ALA C C 178.713 . 2 102 24 23 ALA CA C 54.248 . 2 103 24 23 ALA N N 123.786 . 2 104 25 24 LEU H H 7.892 . 2 105 25 24 LEU C C 178.595 . 2 106 25 24 LEU N N 119.319 . 2 107 26 25 LYS H H 7.803 . 2 108 26 25 LYS HA H 4.374 . 2 109 26 25 LYS C C 177.655 . 2 110 26 25 LYS CA C 58.024 . 2 111 26 25 LYS N N 120.783 . 2 112 27 26 GLU H H 8.016 . 2 113 27 26 GLU HA H 4.212 . 2 114 27 26 GLU C C 176.628 . 2 115 27 26 GLU CA C 57.339 . 2 116 27 26 GLU N N 120.184 . 2 117 28 27 LYS H H 8.101 . 2 118 28 27 LYS HA H 4.265 . 2 119 28 27 LYS C C 176.019 . 2 120 28 27 LYS CA C 55.918 . 2 121 28 27 LYS N N 119.854 . 2 122 29 28 ARG H H 8.170 . 2 123 29 28 ARG HA H 4.252 . 2 124 29 28 ARG C C 176.036 . 2 125 29 28 ARG CA C 56.321 . 2 126 29 28 ARG N N 120.694 . 2 127 30 29 VAL H H 7.961 . 2 128 30 29 VAL N N 121.196 . 2 129 31 30 PRO HA H 4.416 . 2 130 31 30 PRO C C 177.177 . 2 131 31 30 PRO CA C 62.849 . 2 132 32 31 SER H H 8.399 . 2 133 32 31 SER HA H 4.322 . 2 134 32 31 SER C C 174.622 . 2 135 32 31 SER CA C 59.338 . 2 136 32 31 SER N N 116.064 . 2 137 33 32 ASN H H 8.235 . 2 138 33 32 ASN HA H 4.705 . 2 139 33 32 ASN C C 175.221 . 2 140 33 32 ASN CA C 52.789 . 2 141 33 32 ASN N N 119.120 . 2 142 34 33 ALA H H 7.948 . 2 143 34 33 ALA HA H 4.289 . 2 144 34 33 ALA C C 178.235 . 2 145 34 33 ALA CA C 52.847 . 2 146 34 33 ALA N N 123.533 . 2 147 35 34 SER H H 8.255 . 2 148 35 34 SER HA H 4.535 . 2 149 35 34 SER C C 175.129 . 2 150 35 34 SER CA C 57.986 . 2 151 35 34 SER N N 115.510 . 2 152 36 35 TRP H H 8.083 . 2 153 36 35 TRP HA H 4.313 . 2 154 36 35 TRP C C 177.081 . 2 155 36 35 TRP CA C 59.360 . 2 156 36 35 TRP N N 123.351 . 2 157 37 36 GLU H H 8.070 . 2 158 37 36 GLU HA H 3.700 . 2 159 37 36 GLU C C 178.317 . 2 160 37 36 GLU CA C 59.332 . 2 161 37 36 GLU N N 119.014 . 2 162 38 37 GLN H H 7.822 . 2 163 38 37 GLN HA H 4.101 . 2 164 38 37 GLN C C 177.593 . 2 165 38 37 GLN N N 118.887 . 2 166 39 38 ALA H H 8.118 . 2 167 39 38 ALA HA H 4.056 . 2 168 39 38 ALA C C 179.122 . 2 169 39 38 ALA CA C 54.470 . 2 170 39 38 ALA N N 122.732 . 2 171 40 39 MET H H 8.003 . 2 172 40 39 MET HA H 4.116 . 2 173 40 39 MET C C 177.425 . 2 174 40 39 MET CA C 56.856 . 2 175 40 39 MET N N 116.548 . 2 176 41 40 LYS HA H 4.035 . 2 177 41 40 LYS C C 177.546 . 2 178 41 40 LYS CA C 58.454 . 2 179 41 40 LYS N N 119.136 . 2 180 42 41 MET H H 7.732 . 2 181 42 41 MET HA H 4.309 . 2 182 42 41 MET C C 177.178 . 2 183 42 41 MET CA C 57.094 . 2 184 42 41 MET N N 117.901 . 2 185 43 42 ILE H H 7.766 . 2 186 43 42 ILE HA H 4.054 . 2 187 43 42 ILE C C 176.560 . 2 188 43 42 ILE N N 119.588 . 2 189 44 43 ILE H H 7.899 . 2 190 44 43 ILE C C 176.056 . 2 191 44 43 ILE N N 120.275 . 2 192 45 44 ASN H H 7.900 . 2 193 45 44 ASN HA H 4.711 . 2 194 45 44 ASN CA C 53.323 . 2 195 45 44 ASN N N 119.135 . 2 196 46 45 ASP H H 7.854 . 2 197 46 45 ASP HA H 4.997 . 2 198 46 45 ASP CA C 51.864 . 2 199 46 45 ASP N N 122.730 . 2 200 47 46 PRO HA H 4.420 . 2 201 47 46 PRO C C 178.053 . 2 202 47 46 PRO CA C 64.209 . 2 203 48 47 ARG H H 8.341 . 2 204 48 47 ARG HA H 4.061 . 2 205 48 47 ARG C C 177.487 . 2 206 48 47 ARG CA C 57.229 . 2 207 48 47 ARG N N 118.377 . 2 208 49 48 TYR H H 7.706 . 2 209 49 48 TYR HA H 4.604 . 2 210 49 48 TYR C C 176.515 . 2 211 49 48 TYR CA C 58.172 . 2 212 49 48 TYR N N 117.876 . 2 213 50 49 SER H H 7.865 . 2 214 50 49 SER HA H 4.275 . 2 215 50 49 SER C C 175.374 . 2 216 50 49 SER CA C 60.656 . 2 217 50 49 SER N N 115.731 . 2 218 51 50 ALA H H 8.236 . 2 219 51 50 ALA HA H 4.240 . 2 220 51 50 ALA C C 178.939 . 2 221 51 50 ALA CA C 53.898 . 2 222 51 50 ALA N N 124.648 . 2 223 52 51 LEU H H 7.863 . 2 224 52 51 LEU C C 178.032 . 2 225 52 51 LEU N N 118.847 . 2 226 53 52 ALA H H 7.812 . 2 227 53 52 ALA HA H 4.187 . 2 228 53 52 ALA C C 178.553 . 2 229 53 52 ALA CA C 53.690 . 2 230 53 52 ALA N N 122.637 . 2 231 54 53 LYS H H 7.829 . 2 232 54 53 LYS HA H 4.230 . 2 233 54 53 LYS C C 177.462 . 2 234 54 53 LYS CA C 56.909 . 2 235 54 53 LYS N N 118.359 . 2 236 55 54 LEU H H 7.740 . 2 237 55 54 LEU C C 177.949 . 2 238 55 54 LEU N N 121.619 . 2 239 56 55 SER H H 7.965 . 2 240 56 55 SER HA H 4.233 . 2 241 56 55 SER CA C 59.078 . 2 242 56 55 SER N N 115.311 . 2 243 57 56 GLU H H 8.059 . 2 244 57 56 GLU CA C 56.682 . 2 245 57 56 GLU N N 122.414 . 2 246 58 57 LYS H H 8.097 . 2 247 58 57 LYS C C 176.820 . 2 248 58 57 LYS CA C 56.768 . 2 249 58 57 LYS N N 121.832 . 2 250 59 58 LYS H H 8.205 . 2 251 59 58 LYS HA H 4.309 . 2 252 59 58 LYS C C 177.035 . 2 253 59 58 LYS CA C 56.998 . 2 254 59 58 LYS N N 122.051 . 2 255 60 59 GLN H H 8.254 . 2 256 60 59 GLN HA H 4.255 . 2 257 60 59 GLN C C 176.011 . 2 258 60 59 GLN CA C 56.794 . 2 259 60 59 GLN N N 121.104 . 2 260 61 60 ALA H H 8.231 . 2 261 61 60 ALA HA H 4.300 . 2 262 61 60 ALA C C 177.717 . 2 263 61 60 ALA CA C 52.834 . 2 264 61 60 ALA N N 124.802 . 2 265 62 61 PHE H H 7.993 . 2 266 62 61 PHE HA H 4.707 . 2 267 62 61 PHE C C 175.564 . 2 268 62 61 PHE CA C 58.160 . 2 269 62 61 PHE N N 119.423 . 2 270 63 62 ASN H H 8.107 . 2 271 63 62 ASN HA H 4.564 . 2 272 63 62 ASN CA C 53.382 . 2 273 63 62 ASN N N 120.572 . 2 274 64 63 ALA H H 7.983 . 2 275 64 63 ALA HA H 4.189 . 2 276 64 63 ALA C C 177.560 . 2 277 64 63 ALA CA C 52.942 . 2 278 64 63 ALA N N 124.013 . 2 279 65 64 TYR H H 7.884 . 2 280 65 64 TYR HA H 4.483 . 2 281 65 64 TYR C C 175.714 . 2 282 65 64 TYR CA C 58.003 . 2 283 65 64 TYR N N 118.567 . 2 284 66 65 LYS H H 7.838 . 2 285 66 65 LYS HA H 4.287 . 2 286 66 65 LYS C C 176.091 . 2 287 66 65 LYS CA C 56.331 . 2 288 66 65 LYS N N 123.002 . 2 289 67 66 VAL H H 8.028 . 2 290 67 66 VAL HA H 4.048 . 2 291 67 66 VAL C C 176.271 . 2 292 67 66 VAL N N 121.481 . 2 293 68 67 GLN H H 8.407 . 2 294 68 67 GLN C C 176.014 . 2 295 68 67 GLN CA C 55.833 . 2 296 68 67 GLN N N 124.246 . 2 297 69 68 THR H H 8.116 . 2 298 69 68 THR HA H 4.319 . 2 299 69 68 THR C C 174.445 . 2 300 69 68 THR CA C 61.701 . 2 301 69 68 THR N N 115.678 . 2 302 70 69 GLU H H 8.346 . 2 303 70 69 GLU C C 175.606 . 2 304 70 69 GLU CA C 56.337 . 2 305 70 69 GLU N N 123.699 . 2 306 71 70 LYS H H 7.599 . 2 307 71 70 LYS HA H 4.146 . 2 308 71 70 LYS CA C 57.590 . 2 309 71 70 LYS N N 126.692 . 2 stop_ save_ save_RDC_list_1 _Saveframe_category residual_dipolar_couplings loop_ _Sample_label $rdc_1 stop_ loop_ _Residual_dipolar_coupling_ID _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_atom_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_atom_name _Residual_dipolar_coupling_value _Atom_one_mol_system_component_name _Atom_two_mol_system_component_name _Residual_dipolar_coupling_min_value _Residual_dipolar_coupling_max_value _Residual_dipolar_coupling_value_error DNH 11 ASN N 11 ASN H 1.079 ? ? . . 1.478 DNH 12 THR N 12 THR H 2.016 ? ? . . 5.086 DNH 13 LYS N 13 LYS H -17.537 ? ? . . 4.365 DNH 14 GLU N 14 GLU H 1.441 ? ? . . 2.925 DNH 15 GLU N 15 GLU H 3.234 ? ? . . 2.043 DNH 16 ALA N 16 ALA H -0.806 ? ? . . 1.872 DNH 17 LYS N 17 LYS H -1.905 ? ? . . 3.034 DNH 18 GLN N 18 GLN H -0.014 ? ? . . 2.635 DNH 19 ALA N 19 ALA H 0.771 ? ? . . 1.573 DNH 20 PHE N 20 PHE H 0.711 ? ? . . 1.565 DNH 21 LYS N 21 LYS H -1.526 ? ? . . 7.526 DNH 22 GLU N 22 GLU H 3.963 ? ? . . 1.631 DNH 23 ALA N 23 ALA H 3.521 ? ? . . 1.829 DNH 24 LEU N 24 LEU H -0.176 ? ? . . 5.907 DNH 25 LYS N 25 LYS H 1.031 ? ? . . 5.137 DNH 26 GLU N 26 GLU H 9.318 ? ? . . 3.098 DNH 27 LYS N 27 LYS H 9.211 ? ? . . 4.894 DNH 28 ARG N 28 ARG H -9.101 ? ? . . 6.151 DNH 29 VAL N 29 VAL H 9.708 ? ? . . 2.403 DNH 31 SER N 31 SER H 10.128 ? ? . . 1.590 DNH 32 ASN N 32 ASN H 5.554 ? ? . . 6.411 DNH 33 ALA N 33 ALA H 21.532 ? ? . . 1.675 DNH 34 SER N 34 SER H -32.281 ? ? . . 4.604 DNH 35 TRP N 35 TRP H 47.220 ? ? . . 2.146 DNH 36 GLU N 36 GLU H 38.508 ? ? . . 4.005 DNH 37 GLN N 37 GLN H 53.201 ? ? . . 2.094 DNH 38 ALA N 38 ALA H 51.472 ? ? . . 2.126 DNH 39 MET N 39 MET H 45.656 ? ? . . 2.130 DNH 40 LYS N 40 LYS H 57.590 ? ? . . 6.676 DNH 41 MET N 41 MET H 63.045 ? ? . . 4.906 DNH 42 ILE N 42 ILE H 61.416 ? ? . . 16.518 DNH 43 ILE N 43 ILE H 73.910 ? ? . . 6.160 DNH 44 ASN N 44 ASN H 42.142 ? ? . . 4.272 DNH 45 ASP N 45 ASP H -12.719 ? ? . . 4.373 DNH 47 ARG N 47 ARG H 24.749 ? ? . . 3.824 DNH 48 TYR N 48 TYR H -11.945 ? ? . . 4.375 DNH 49 SER N 49 SER H 11.655 ? ? . . 14.690 DNH 50 ALA N 50 ALA H 1.815 ? ? . . 2.039 DNH 51 LEU N 51 LEU H 3.906 ? ? . . 11.326 DNH 52 ALA N 52 ALA H 24.342 ? ? . . 5.429 DNH 53 LYS N 53 LYS H 6.390 ? ? . . 3.516 DNH 54 LEU N 54 LEU H 0.806 ? ? . . 12.195 DNH 55 SER N 55 SER H 18.580 ? ? . . 5.480 DNH 56 GLU N 56 GLU H 7.898 ? ? . . 1.621 DNH 58 LYS N 58 LYS H 3.165 ? ? . . 11.273 stop_ _Details . _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 800 _Text_data_format . _Text_data . save_