data_17195 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone assignments for the UBA Domain of E2-25K ; _BMRB_accession_number 17195 _BMRB_flat_file_name bmr17195.str _Entry_type original _Submission_date 2010-09-15 _Accession_date 2010-09-15 _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 Wilson Randall C. . 2 Edmondson Stephen P. . 3 Flatt Justin W. . 4 Twigg Pamela D. . 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" 50 "13C chemical shifts" 155 "15N chemical shifts" 50 "residual dipolar couplings" 37 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-03-24 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 17362 'E2-25K monomer' stop_ _Original_release_date 2011-03-24 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'The E2-25K ubiquitin-associated (UBA) domain aids in polyubiquitin chain synthesis and linkage specificity' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21281599 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wilson Randall C. . 2 Edmondson Stephen P. . 3 Flatt Justin W. . 4 Helms Kimberli C. . 5 Twigg Pamela D. . stop_ _Journal_abbreviation 'Biochem. Biophys. Res. Commun.' _Journal_volume 405 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 662 _Page_last 666 _Year 2011 _Details . loop_ _Keyword E2-25K 'UBA domain' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'UBA monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'UBA monomer' $E2-25K_UBA_domain 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_E2-25K_UBA_domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common E2-25K_UBA_domain _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'ubiquitin binding' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 70 _Mol_residue_sequence ; MGSSHHHHHHSSGLVPEGSH MASGAPVSSPEYTKKIENLC AMGFDRNAVIVALSSKSWDV ETATELLLSN ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -23 MET 2 -22 GLY 3 -21 SER 4 -20 SER 5 -19 HIS 6 -18 HIS 7 -17 HIS 8 -16 HIS 9 -15 HIS 10 -14 HIS 11 -13 SER 12 -12 SER 13 -11 GLY 14 -10 LEU 15 -9 VAL 16 -8 PRO 17 -7 GLU 18 -6 GLY 19 -5 SER 20 -4 HIS 21 -3 MET 22 -2 ALA 23 -1 SER 24 154 GLY 25 155 ALA 26 156 PRO 27 157 VAL 28 158 SER 29 159 SER 30 160 PRO 31 161 GLU 32 162 TYR 33 163 THR 34 164 LYS 35 165 LYS 36 166 ILE 37 167 GLU 38 168 ASN 39 169 LEU 40 170 CYS 41 171 ALA 42 172 MET 43 173 GLY 44 174 PHE 45 175 ASP 46 176 ARG 47 177 ASN 48 178 ALA 49 179 VAL 50 180 ILE 51 181 VAL 52 182 ALA 53 183 LEU 54 184 SER 55 185 SER 56 186 LYS 57 187 SER 58 188 TRP 59 189 ASP 60 190 VAL 61 191 GLU 62 192 THR 63 193 ALA 64 194 THR 65 195 GLU 66 196 LEU 67 197 LEU 68 198 LEU 69 199 SER 70 200 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 PDB 3E46 . . . . . . PDB 3F92 . . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $E2-25K_UBA_domain 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 $E2-25K_UBA_domain 'recombinant technology' . Escherichia coli . pET28b 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 _Isotopic_labeling $E2-25K_UBA_domain 1.4 mM '[U-100% 13C; U-100% 15N]' DSS 0.12 mM 'natural abundance' 'sodium azide' 0.9 '% v/v' 'natural abundance' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' beta-mercaptoethanol 0.1 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_RDC_sample _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $E2-25K_UBA_domain 0.98 mM '[U-100% 15N]' DSS 0.12 mM 'natural abundance' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' beta-mercaptoethanol 0.1 mM 'natural abundance' 'n-dodecyl hexa(ethylene glycol)' 5 % 'natural abundance' n-hexanol 5 % 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_MODULE _Saveframe_category software _Name Module _Version . loop_ _Vendor _Address _Electronic_address 'Dosset, P., Hus, J. C., Marion, D., and Blackledge, M' . . 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_ ############################# # 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_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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_Nhsqc-ipap_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D Nhsqc-ipap' _Sample_label $RDC_sample save_ save_2D_NHSC_S3_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NHSC S3' _Sample_label $RDC_sample save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7 . pH pressure 1 . atm temperature 273 . K stop_ save_ save_RDC_conditions _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7 . pH pressure 1 . atm temperature 273 . 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_ _Software_label $NMRView stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '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 'UBA monomer' _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 -17 7 HIS C C 176.865 0.06 1 2 -12 12 SER C C 174.150 0.06 1 3 -12 12 SER CA C 58.741 0.25 1 4 -12 12 SER CB C 63.874 0.25 1 5 -11 13 GLY H H 8.392 0.01 1 6 -11 13 GLY C C 173.845 0.06 1 7 -11 13 GLY CA C 45.309 0.25 1 8 -11 13 GLY N N 110.558 0.06 1 9 -10 14 LEU H H 8.048 0.01 1 10 -10 14 LEU C C 177.059 0.06 1 11 -10 14 LEU CA C 55.165 0.25 1 12 -10 14 LEU CB C 42.495 0.25 1 13 -10 14 LEU N N 121.539 0.06 1 14 -9 15 VAL H H 8.090 0.01 1 15 -9 15 VAL CA C 59.843 0.25 1 16 -9 15 VAL CB C 32.713 0.25 1 17 -9 15 VAL N N 122.550 0.06 1 18 -8 16 PRO CA C 63.142 0.25 1 19 -8 16 PRO CB C 32.130 0.25 1 20 -7 17 GLU H H 8.474 0.01 1 21 -7 17 GLU CA C 56.463 0.25 1 22 -7 17 GLU CB C 30.930 0.25 1 23 -7 17 GLU N N 121.967 0.06 1 24 -6 18 GLY H H 8.473 0.01 1 25 -6 18 GLY C C 175.318 0.06 1 26 -6 18 GLY CA C 45.375 0.25 1 27 -6 18 GLY N N 110.292 0.06 1 28 -5 19 SER H H 8.216 0.01 1 29 -5 19 SER CA C 58.566 0.25 1 30 -5 19 SER CB C 63.947 0.25 1 31 -5 19 SER N N 115.553 0.06 1 32 -4 20 HIS CA C 56.547 0.25 1 33 -4 20 HIS CB C 30.461 0.25 1 34 -3 21 MET H H 8.223 0.01 1 35 -3 21 MET C C 178.134 0.06 1 36 -3 21 MET CA C 55.454 0.25 1 37 -3 21 MET CB C 32.988 0.25 1 38 -3 21 MET N N 121.440 0.06 1 39 -2 22 ALA H H 8.366 0.01 1 40 -2 22 ALA CA C 52.748 0.25 1 41 -2 22 ALA CB C 19.288 0.25 1 42 -2 22 ALA N N 125.283 0.06 1 43 -1 23 SER H H 8.282 0.01 1 44 -1 23 SER CA C 58.578 0.25 1 45 -1 23 SER CB C 63.890 0.25 1 46 -1 23 SER N N 114.928 0.06 1 47 154 24 GLY H H 8.356 0.01 1 48 154 24 GLY C C 173.383 0.06 1 49 154 24 GLY CA C 45.099 0.25 1 50 154 24 GLY N N 110.643 0.06 1 51 155 25 ALA H H 8.018 0.01 1 52 155 25 ALA CA C 50.589 0.25 1 53 155 25 ALA CB C 18.705 0.25 1 54 155 25 ALA N N 123.985 0.06 1 55 156 26 PRO C C 176.961 0.06 1 56 156 26 PRO CA C 63.010 0.25 1 57 156 26 PRO CB C 31.652 0.25 1 58 157 27 VAL H H 8.073 0.01 1 59 157 27 VAL CA C 62.492 0.25 1 60 157 27 VAL CB C 32.585 0.25 1 61 157 27 VAL N N 119.075 0.06 1 62 158 28 SER H H 8.148 0.01 1 63 158 28 SER CA C 58.084 0.25 1 64 158 28 SER CB C 63.901 0.25 1 65 158 28 SER N N 117.124 0.06 1 66 159 29 SER H H 7.944 0.01 1 67 159 29 SER CA C 56.399 0.25 1 68 159 29 SER CB C 63.463 0.25 1 69 159 29 SER N N 118.585 0.06 1 70 160 30 PRO C C 178.201 0.06 1 71 160 30 PRO CA C 65.059 0.25 1 72 160 30 PRO CB C 32.000 0.25 1 73 161 31 GLU H H 8.460 0.01 1 74 161 31 GLU CA C 58.813 0.25 1 75 161 31 GLU CB C 29.437 0.25 1 76 161 31 GLU N N 117.770 0.06 1 77 162 32 TYR H H 7.531 0.01 1 78 162 32 TYR C C 177.822 0.06 1 79 162 32 TYR CA C 59.064 0.25 1 80 162 32 TYR CB C 36.950 0.25 1 81 162 32 TYR N N 118.997 0.06 1 82 163 33 THR H H 8.144 0.01 1 83 163 33 THR C C 176.187 0.06 1 84 163 33 THR CA C 66.809 0.25 1 85 163 33 THR CB C 68.626 0.25 1 86 163 33 THR N N 115.021 0.06 1 87 164 34 LYS H H 7.970 0.01 1 88 164 34 LYS C C 178.450 0.06 1 89 164 34 LYS CA C 59.230 0.25 1 90 164 34 LYS CB C 32.284 0.25 1 91 164 34 LYS N N 120.985 0.06 1 92 165 35 LYS H H 7.469 0.01 1 93 165 35 LYS C C 178.419 0.06 1 94 165 35 LYS CA C 60.109 0.25 1 95 165 35 LYS CB C 33.749 0.25 1 96 165 35 LYS N N 118.549 0.06 1 97 166 36 ILE H H 7.969 0.01 1 98 166 36 ILE C C 178.639 0.06 1 99 166 36 ILE CA C 64.675 0.25 1 100 166 36 ILE CB C 39.379 0.25 1 101 166 36 ILE N N 118.287 0.06 1 102 167 37 GLU H H 8.610 0.01 1 103 167 37 GLU C C 179.784 0.06 1 104 167 37 GLU CA C 59.464 0.25 1 105 167 37 GLU CB C 29.348 0.25 1 106 167 37 GLU N N 119.116 0.06 1 107 168 38 ASN H H 8.423 0.01 1 108 168 38 ASN C C 177.646 0.06 1 109 168 38 ASN CA C 56.053 0.25 1 110 168 38 ASN CB C 38.284 0.25 1 111 168 38 ASN N N 118.405 0.06 1 112 169 39 LEU H H 7.601 0.01 1 113 169 39 LEU C C 180.514 0.06 1 114 169 39 LEU CA C 58.006 0.25 1 115 169 39 LEU CB C 42.831 0.25 1 116 169 39 LEU N N 120.108 0.06 1 117 170 40 CYS H H 8.881 0.01 1 118 170 40 CYS C C 178.820 0.06 1 119 170 40 CYS CA C 63.472 0.25 1 120 170 40 CYS CB C 26.932 0.25 1 121 170 40 CYS N N 119.927 0.06 1 122 171 41 ALA H H 8.125 0.01 1 123 171 41 ALA C C 178.704 0.06 1 124 171 41 ALA CA C 54.289 0.25 1 125 171 41 ALA CB C 17.984 0.25 1 126 171 41 ALA N N 122.622 0.06 1 127 172 42 MET H H 7.396 0.01 1 128 172 42 MET C C 175.981 0.06 1 129 172 42 MET CA C 56.407 0.25 1 130 172 42 MET CB C 34.573 0.25 1 131 172 42 MET N N 115.618 0.06 1 132 173 43 GLY H H 7.888 0.01 1 133 173 43 GLY C C 173.841 0.06 1 134 173 43 GLY CA C 44.788 0.25 1 135 173 43 GLY N N 105.469 0.06 1 136 174 44 PHE H H 6.767 0.01 1 137 174 44 PHE C C 174.683 0.06 1 138 174 44 PHE CA C 57.165 0.25 1 139 174 44 PHE CB C 41.244 0.25 1 140 174 44 PHE N N 118.261 0.06 1 141 175 45 ASP H H 8.771 0.01 1 142 175 45 ASP C C 176.250 0.06 1 143 175 45 ASP CA C 54.402 0.25 1 144 175 45 ASP CB C 43.251 0.25 1 145 175 45 ASP N N 121.923 0.06 1 146 176 46 ARG H H 8.740 0.01 1 147 176 46 ARG C C 177.172 0.06 1 148 176 46 ARG CA C 60.865 0.25 1 149 176 46 ARG CB C 30.597 0.25 1 150 176 46 ARG N N 125.430 0.06 1 151 177 47 ASN H H 8.300 0.01 1 152 177 47 ASN C C 177.317 0.06 1 153 177 47 ASN CA C 56.817 0.25 1 154 177 47 ASN CB C 38.016 0.25 1 155 177 47 ASN N N 115.599 0.06 1 156 178 48 ALA H H 7.801 0.01 1 157 178 48 ALA C C 180.602 0.06 1 158 178 48 ALA CA C 54.814 0.25 1 159 178 48 ALA CB C 18.164 0.25 1 160 178 48 ALA N N 122.766 0.06 1 161 179 49 VAL H H 8.492 0.01 1 162 179 49 VAL C C 176.946 0.06 1 163 179 49 VAL CA C 66.827 0.25 1 164 179 49 VAL CB C 31.904 0.25 1 165 179 49 VAL N N 120.187 0.06 1 166 180 50 ILE H H 8.131 0.01 1 167 180 50 ILE C C 178.862 0.06 1 168 180 50 ILE CA C 66.462 0.25 1 169 180 50 ILE CB C 38.236 0.25 1 170 180 50 ILE N N 120.102 0.06 1 171 181 51 VAL H H 7.880 0.01 1 172 181 51 VAL C C 178.309 0.06 1 173 181 51 VAL CA C 66.566 0.25 1 174 181 51 VAL CB C 31.924 0.25 1 175 181 51 VAL N N 121.503 0.06 1 176 182 52 ALA H H 8.180 0.01 1 177 182 52 ALA C C 179.083 0.06 1 178 182 52 ALA CA C 55.367 0.25 1 179 182 52 ALA CB C 18.667 0.25 1 180 182 52 ALA N N 123.530 0.06 1 181 183 53 LEU H H 8.385 0.01 1 182 183 53 LEU C C 179.191 0.06 1 183 183 53 LEU CA C 57.660 0.25 1 184 183 53 LEU CB C 41.503 0.25 1 185 183 53 LEU N N 116.094 0.06 1 186 184 54 SER H H 7.884 0.01 1 187 184 54 SER C C 177.219 0.06 1 188 184 54 SER CA C 61.268 0.25 1 189 184 54 SER CB C 62.792 0.25 1 190 184 54 SER N N 113.783 0.06 1 191 185 55 SER H H 7.881 0.01 1 192 185 55 SER CA C 60.612 0.25 1 193 185 55 SER CB C 63.433 0.25 1 194 185 55 SER N N 116.788 0.06 1 195 186 56 LYS C C 176.592 0.06 1 196 186 56 LYS CA C 53.027 0.25 1 197 186 56 LYS CB C 30.600 0.25 1 198 187 57 SER H H 7.940 0.01 1 199 187 57 SER CA C 59.508 0.25 1 200 187 57 SER CB C 61.551 0.25 1 201 187 57 SER N N 113.400 0.06 1 202 188 58 TRP C C 176.405 0.06 1 203 188 58 TRP CA C 56.955 0.25 1 204 188 58 TRP CB C 30.235 0.25 1 205 189 59 ASP H H 8.154 0.01 1 206 189 59 ASP C C 176.142 0.06 1 207 189 59 ASP CA C 55.199 0.25 1 208 189 59 ASP CB C 42.401 0.25 1 209 189 59 ASP N N 122.905 0.06 1 210 190 60 VAL H H 7.782 0.01 1 211 190 60 VAL C C 178.572 0.06 1 212 190 60 VAL CA C 59.088 0.25 1 213 190 60 VAL CB C 34.471 0.25 1 214 190 60 VAL N N 118.881 0.06 1 215 191 61 GLU H H 8.805 0.01 1 216 191 61 GLU C C 179.366 0.06 1 217 191 61 GLU CA C 60.319 0.25 1 218 191 61 GLU CB C 29.476 0.25 1 219 191 61 GLU N N 122.965 0.06 1 220 192 62 THR H H 8.138 0.01 1 221 192 62 THR C C 177.637 0.06 1 222 192 62 THR CA C 65.012 0.25 1 223 192 62 THR CB C 68.731 0.25 1 224 192 62 THR N N 113.002 0.06 1 225 193 63 ALA C C 178.594 0.06 1 226 193 63 ALA CA C 55.422 0.25 1 227 193 63 ALA CB C 18.486 0.25 1 228 194 64 THR H H 8.143 0.01 1 229 194 64 THR N N 114.155 0.06 1 230 195 65 GLU C C 178.857 0.06 1 231 195 65 GLU CA C 59.320 0.25 1 232 196 66 LEU H H 7.414 0.01 1 233 196 66 LEU C C 179.565 0.06 1 234 196 66 LEU CA C 57.749 0.25 1 235 196 66 LEU CB C 42.261 0.25 1 236 196 66 LEU N N 119.818 0.06 1 237 197 67 LEU H H 7.851 0.01 1 238 197 67 LEU C C 178.538 0.06 1 239 197 67 LEU CA C 57.200 0.25 1 240 197 67 LEU CB C 40.990 0.25 1 241 197 67 LEU N N 121.228 0.06 1 242 198 68 LEU H H 7.821 0.01 1 243 198 68 LEU C C 177.697 0.06 1 244 198 68 LEU CA C 55.857 0.25 1 245 198 68 LEU CB C 42.725 0.25 1 246 198 68 LEU N N 117.956 0.06 1 247 199 69 SER H H 7.668 0.01 1 248 199 69 SER C C 173.459 0.06 1 249 199 69 SER CA C 59.093 0.25 1 250 199 69 SER CB C 64.093 0.25 1 251 199 69 SER N N 114.915 0.06 1 252 200 70 ASN H H 7.772 0.01 1 253 200 70 ASN CA C 55.064 0.25 1 254 200 70 ASN CB C 40.744 0.25 1 255 200 70 ASN N N 125.807 0.06 1 stop_ save_ save_RDC_list_1 _Saveframe_category residual_dipolar_couplings loop_ _Sample_label $RDC_sample $RDC_sample 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 _Software_label _Atom_one_mol_system_component_name _Atom_two_mol_system_component_name _Residual_dipolar_coupling_min_value _Residual_dipolar_coupling_max_value DNHN 25 ALA N 25 ALA H -7.724 $MODULE ? ? . . DNHN 27 VAL N 27 VAL H -1.319 $MODULE ? ? . . DNHN 31 GLU N 31 GLU H 13.696 $MODULE ? ? . . DNHN 32 TYR N 32 TYR H -10.138 $MODULE ? ? . . DNHN 33 THR N 33 THR H -6.252 $MODULE ? ? . . DNHN 34 LYS N 34 LYS H -11.378 $MODULE ? ? . . DNHN 35 LYS N 35 LYS H -12.081 $MODULE ? ? . . DNHN 36 ILE N 36 ILE H -11.497 $MODULE ? ? . . DNHN 37 GLU N 37 GLU H -9.946 $MODULE ? ? . . DNHN 38 ASN N 38 ASN H -19.197 $MODULE ? ? . . DNHN 39 LEU N 39 LEU H -7.995 $MODULE ? ? . . DNHN 40 CYS N 40 CYS H -18.062 $MODULE ? ? . . DNHN 41 ALA N 41 ALA H -1.935 $MODULE ? ? . . DNHN 42 MET N 42 MET H -8.099 $MODULE ? ? . . DNHN 43 GLY N 43 GLY H -10.49 $MODULE ? ? . . DNHN 44 PHE N 44 PHE H 15.207 $MODULE ? ? . . DNHN 45 ASP N 45 ASP H -19.941 $MODULE ? ? . . DNHN 46 ARG N 46 ARG H -8.939 $MODULE ? ? . . DNHN 47 ASN N 47 ASN H -10.034 $MODULE ? ? . . DNHN 49 VAL N 49 VAL H -12.257 $MODULE ? ? . . DNHN 50 ILE N 50 ILE H -4.15 $MODULE ? ? . . DNHN 51 VAL N 51 VAL H -31.966 $MODULE ? ? . . DNHN 52 ALA N 52 ALA H 0.088 $MODULE ? ? . . DNHN 53 LEU N 53 LEU H -10.65 $MODULE ? ? . . DNHN 54 SER N 54 SER H 0.704 $MODULE ? ? . . DNHN 55 SER N 55 SER H 0.344 $MODULE ? ? . . DNHN 57 SER N 57 SER H -24.746 $MODULE ? ? . . DNHN 60 VAL N 60 VAL H 0.959 $MODULE ? ? . . DNHN 61 GLU N 61 GLU H -0.08 $MODULE ? ? . . DNHN 62 THR N 62 THR H -3.046 $MODULE ? ? . . DNHN 63 ALA N 63 ALA H -8.307 $MODULE ? ? . . DNHN 64 THR N 64 THR H 1.223 $MODULE ? ? . . DNHN 65 GLU N 65 GLU H -22.475 $MODULE ? ? . . DNHN 67 LEU N 67 LEU H -19.405 $MODULE ? ? . . DNHN 68 LEU N 68 LEU H -11.817 $MODULE ? ? . . DNHN 69 SER N 69 SER H -6.708 $MODULE ? ? . . DNHN 70 ASN N 70 ASN H -6.7 $MODULE ? ? . . stop_ _Details . _Sample_conditions_label $RDC_conditions _Spectrometer_frequency_1H 800 _Text_data_format . _Text_data . save_