data_27640 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Chemical Shifts of KCNE1TVG in LMPG micelles ; _BMRB_accession_number 27640 _BMRB_flat_file_name bmr27640.str _Entry_type original _Submission_date 2018-10-08 _Accession_date 2018-10-08 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Chemical Shifts of KCNE1TVG in LMPG micelles' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Law Cheryl L. . 2 Sanders Charles R. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 118 "13C chemical shifts" 300 "15N chemical shifts" 111 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-04-10 update BMRB 'update entry citation' 2018-10-12 original author 'original release' stop_ _Original_release_date 2018-10-08 save_ ############################# # Citation for this entry # ############################# save_Citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR resonance assignments and secondary structure of a mutant form of the human KCNE1 channel accessory protein that exhibits KCNE3-like function. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30603955 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Law Cheryl L. . 2 Sanders Charles R. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 13 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 143 _Page_last 147 _Year 2019 _Details . loop_ _Keyword 'Chemical hifts' KCNE1 KCNQ1 'Solution NMR' 'Voltage-gated potassium channel' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name KCNE1TVG _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'LMPG detergent' $KCNE1TVG stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details 'KCNE1TVG in LMPG detergent micelles' save_ ######################## # Monomeric polymers # ######################## save_KCNE1TVG _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common KCNE1TVG _Molecular_mass 15434.45 _Mol_thiol_state 'all free' loop_ _Biological_function 'Binds to voltage-gated potassium channel KCNQ1 to create a constitutively open channel' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 136 _Mol_residue_sequence ; HHHHHHGMILSNTTAVTPFL TKLWQETVQQGGNMSGLARR SPRSGDGKLEALYVLMVLGF FGFTVGGIMLSYIRSKKLEH SNDPFNVYIESDAWQEKDKA YVQARVLESYRSSYVVENHL AIEQPNTHLPETKPSP ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -6 HIS 2 -5 HIS 3 -4 HIS 4 -3 HIS 5 -2 HIS 6 -1 HIS 7 0 GLY 8 1 MET 9 2 ILE 10 3 LEU 11 4 SER 12 5 ASN 13 6 THR 14 7 THR 15 8 ALA 16 9 VAL 17 10 THR 18 11 PRO 19 12 PHE 20 13 LEU 21 14 THR 22 15 LYS 23 16 LEU 24 17 TRP 25 18 GLN 26 19 GLU 27 20 THR 28 21 VAL 29 22 GLN 30 23 GLN 31 24 GLY 32 25 GLY 33 26 ASN 34 27 MET 35 28 SER 36 29 GLY 37 30 LEU 38 31 ALA 39 32 ARG 40 33 ARG 41 34 SER 42 35 PRO 43 36 ARG 44 37 SER 45 38 GLY 46 39 ASP 47 40 GLY 48 41 LYS 49 42 LEU 50 43 GLU 51 44 ALA 52 45 LEU 53 46 TYR 54 47 VAL 55 48 LEU 56 49 MET 57 50 VAL 58 51 LEU 59 52 GLY 60 53 PHE 61 54 PHE 62 55 GLY 63 56 PHE 64 57 THR 65 58 VAL 66 59 GLY 67 60 GLY 68 61 ILE 69 62 MET 70 63 LEU 71 64 SER 72 65 TYR 73 66 ILE 74 67 ARG 75 68 SER 76 69 LYS 77 70 LYS 78 71 LEU 79 72 GLU 80 73 HIS 81 74 SER 82 75 ASN 83 76 ASP 84 77 PRO 85 78 PHE 86 79 ASN 87 80 VAL 88 81 TYR 89 82 ILE 90 83 GLU 91 84 SER 92 85 ASP 93 86 ALA 94 87 TRP 95 88 GLN 96 89 GLU 97 90 LYS 98 91 ASP 99 92 LYS 100 93 ALA 101 94 TYR 102 95 VAL 103 96 GLN 104 97 ALA 105 98 ARG 106 99 VAL 107 100 LEU 108 101 GLU 109 102 SER 110 103 TYR 111 104 ARG 112 105 SER 113 106 SER 114 107 TYR 115 108 VAL 116 109 VAL 117 110 GLU 118 111 ASN 119 112 HIS 120 113 LEU 121 114 ALA 122 115 ILE 123 116 GLU 124 117 GLN 125 118 PRO 126 119 ASN 127 120 THR 128 121 HIS 129 122 LEU 130 123 PRO 131 124 GLU 132 125 THR 133 126 LYS 134 127 PRO 135 128 SER 136 129 PRO stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $KCNE1TVG 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 _Details $KCNE1TVG 'recombinant technology' . Escherichia coli 'BL21 (DE3) CodonPlus RP' pET16b 'With the overhead sequence HHHHHHG uncleaved before wild type KCNE1TVG sequence' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type micelle _Details 'KCNE1TVG in LMPG detergent micelles' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $KCNE1TVG 1 mM '[U-100% 13C; U-100% 15N]' D2O 10 % '[U-99% 15N]' imidazole 50 mM 'natural abundance' 'potassium chloride' 50 mM 'natural abundance' EDTA 2 mM 'natural abundance' 'LMPG detergent' 8 '% w/v' 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version nmrfam-sparky loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details 'Vanderbilt University Center for Structural Biology' 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_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details KCNE1TVG loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 . pH pressure 1 . atm temperature 313 . 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 na C 13 'methyl protons' ppm 0 internal indirect . . . 0.251449530 na H 1 'methyl protons' ppm 0 internal indirect . . . 1.0 na N 15 'methyl protons' ppm 0 internal 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 $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HN(CO)CA' 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 'LMPG detergent' _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 1 8 MET H H 8.225 . 1 2 1 8 MET C C 172.864 . 1 3 1 8 MET CA C 50.404 . 1 4 1 8 MET CB C 30.344 . 1 5 1 8 MET N N 120.005 . 1 6 2 9 ILE H H 7.984 . 1 7 2 9 ILE C C 173.046 . 1 8 2 9 ILE CA C 60.125 . 1 9 2 9 ILE CB C 35.877 . 1 10 2 9 ILE N N 119.731 . 1 11 3 10 LEU H H 8.003 . 1 12 3 10 LEU C C 174.820 . 1 13 3 10 LEU CA C 54.975 . 1 14 3 10 LEU CB C 39.412 . 1 15 3 10 LEU N N 121.322 . 1 16 4 11 SER H H 8.039 . 1 17 4 11 SER C C 172.275 . 1 18 4 11 SER CA C 57.131 . 1 19 4 11 SER CB C 61.227 . 1 20 4 11 SER N N 114.267 . 1 21 5 12 ASN H H 8.069 . 1 22 5 12 ASN C C 173.296 . 1 23 5 12 ASN CA C 51.331 . 1 24 5 12 ASN CB C 36.544 . 1 25 5 12 ASN N N 118.849 . 1 26 6 13 THR H H 8.113 . 1 27 6 13 THR C C 173.447 . 1 28 6 13 THR CA C 61.593 . 1 29 6 13 THR CB C 66.465 . 1 30 6 13 THR N N 100.934 . 1 31 7 14 THR H H 7.910 . 1 32 7 14 THR C C 172.760 . 1 33 7 14 THR CA C 61.520 . 1 34 7 14 THR CB C 66.607 . 1 35 7 14 THR N N 114.673 . 1 36 8 15 ALA H H 7.971 . 1 37 8 15 ALA C C 175.734 . 1 38 8 15 ALA CA C 50.915 . 1 39 8 15 ALA CB C 16.543 . 1 40 8 15 ALA N N 123.004 . 1 41 9 16 VAL H H 7.735 . 1 42 9 16 VAL C C 174.134 . 1 43 9 16 VAL CA C 61.243 . 1 44 9 16 VAL CB C 30.148 . 1 45 9 16 VAL N N 113.240 . 1 46 10 17 THR H H 8.111 . 1 47 10 17 THR CA C 65.622 . 1 48 10 17 THR CB C 67.342 . 1 49 10 17 THR N N 116.336 . 1 50 11 18 PRO C C 176.372 . 1 51 11 18 PRO CA C 63.801 . 1 52 11 18 PRO CB C 28.224 . 1 53 12 19 PHE H H 7.472 . 1 54 12 19 PHE C C 174.626 . 1 55 12 19 PHE CA C 58.415 . 1 56 12 19 PHE CB C 36.905 . 1 57 12 19 PHE N N 117.358 . 1 58 13 20 LEU H H 8.078 . 1 59 13 20 LEU C C 176.029 . 1 60 13 20 LEU CA C 55.315 . 1 61 13 20 LEU CB C 39.284 . 1 62 13 20 LEU N N 118.388 . 1 63 14 21 THR H H 8.385 . 1 64 14 21 THR C C 173.843 . 1 65 14 21 THR CA C 64.333 . 1 66 14 21 THR CB C 66.069 . 1 67 14 21 THR N N 113.559 . 1 68 15 22 LYS H H 7.594 . 1 69 15 22 LYS C C 175.774 . 1 70 15 22 LYS CA C 56.839 . 1 71 15 22 LYS CB C 29.431 . 1 72 15 22 LYS N N 122.694 . 1 73 16 23 LEU H H 7.905 . 1 74 16 23 LEU C C 177.288 . 1 75 16 23 LEU CA C 55.491 . 1 76 16 23 LEU CB C 39.429 . 1 77 16 23 LEU N N 119.369 . 1 78 17 24 TRP H H 8.541 . 1 79 17 24 TRP C C 174.694 . 1 80 17 24 TRP CA C 58.039 . 1 81 17 24 TRP CB C 27.183 . 1 82 17 24 TRP N N 121.383 . 1 83 18 25 GLN H H 8.358 . 1 84 18 25 GLN C C 176.115 . 1 85 18 25 GLN CA C 56.678 . 1 86 18 25 GLN CB C 26.083 . 1 87 18 25 GLN N N 117.158 . 1 88 19 26 GLU H H 8.248 . 1 89 19 26 GLU C C 175.434 . 1 90 19 26 GLU CA C 55.950 . 1 91 19 26 GLU CB C 26.963 . 1 92 19 26 GLU N N 116.413 . 1 93 20 27 THR H H 7.805 . 1 94 20 27 THR C C 173.396 . 1 95 20 27 THR CA C 63.424 . 1 96 20 27 THR CB C 66.225 . 1 97 20 27 THR N N 114.671 . 1 98 21 28 VAL H H 7.933 . 1 99 21 28 VAL C C 175.258 . 1 100 21 28 VAL CA C 62.629 . 1 101 21 28 VAL CB C 28.965 . 1 102 21 28 VAL N N 119.680 . 1 103 22 29 GLN H H 7.584 . 1 104 22 29 GLN C C 174.744 . 1 105 22 29 GLN CA C 55.159 . 1 106 22 29 GLN CB C 26.099 . 1 107 22 29 GLN N N 118.215 . 1 108 23 30 GLN H H 7.833 . 1 109 23 30 GLN C C 174.688 . 1 110 23 30 GLN CA C 53.982 . 1 111 23 30 GLN CB C 26.107 . 1 112 23 30 GLN N N 117.310 . 1 113 24 31 GLY H H 8.087 . 1 114 24 31 GLY C C 172.376 . 1 115 24 31 GLY CA C 41.032 . 1 116 24 31 GLY N N 108.174 . 1 117 25 32 GLY H H 8.132 . 1 118 25 32 GLY CA C 43.412 . 1 119 25 32 GLY N N 108.153 . 1 120 26 33 ASN H H 8.149 . 1 121 26 33 ASN C C 173.488 . 1 122 26 33 ASN CA C 51.324 . 1 123 26 33 ASN CB C 36.320 . 1 124 26 33 ASN N N 118.534 . 1 125 27 34 MET H H 8.355 . 1 126 27 34 MET C C 174.299 . 1 127 27 34 MET CA C 54.029 . 1 128 27 34 MET CB C 30.079 . 1 129 27 34 MET N N 119.665 . 1 130 28 35 SER H H 8.148 . 1 131 28 35 SER C C 173.345 . 1 132 28 35 SER CA C 57.925 . 1 133 28 35 SER CB C 60.865 . 1 134 28 35 SER N N 115.084 . 1 135 29 36 GLY H H 8.248 . 1 136 29 36 GLY C C 172.658 . 1 137 29 36 GLY CA C 43.639 . 1 138 29 36 GLY N N 110.308 . 1 139 30 37 LEU H H 7.754 . 1 140 30 37 LEU C C 174.749 . 1 141 30 37 LEU CA C 53.959 . 1 142 30 37 LEU CB C 39.877 . 1 143 30 37 LEU N N 120.853 . 1 144 31 38 ALA H H 7.854 . 1 145 31 38 ALA C C 175.129 . 1 146 31 38 ALA CA C 50.642 . 1 147 31 38 ALA CB C 16.395 . 1 148 31 38 ALA N N 120.294 . 1 149 32 39 ARG H H 7.755 . 1 150 32 39 ARG C C 173.662 . 1 151 32 39 ARG CA C 53.958 . 1 152 32 39 ARG CB C 27.969 . 1 153 32 39 ARG N N 117.148 . 1 154 33 40 ARG H H 7.885 . 1 155 33 40 ARG CA C 52.890 . 1 156 33 40 ARG CB C 28.283 . 1 157 33 40 ARG N N 119.737 . 1 158 35 42 PRO C C 173.883 . 1 159 35 42 PRO CA C 60.947 . 1 160 36 43 ARG H H 8.265 . 1 161 36 43 ARG C C 173.724 . 1 162 36 43 ARG CA C 53.954 . 1 163 36 43 ARG CB C 28.570 . 1 164 36 43 ARG N N 119.803 . 1 165 37 44 SER H H 8.325 . 1 166 37 44 SER C C 172.726 . 1 167 37 44 SER CA C 55.971 . 1 168 37 44 SER CB C 61.877 . 1 169 37 44 SER N N 116.324 . 1 170 38 45 GLY H H 8.477 . 1 171 38 45 GLY C C 171.504 . 1 172 38 45 GLY CA C 43.314 . 1 173 38 45 GLY N N 110.951 . 1 174 39 46 ASP H H 8.101 . 1 175 39 46 ASP C C 174.305 . 1 176 39 46 ASP CA C 51.713 . 1 177 39 46 ASP CB C 38.890 . 1 178 39 46 ASP N N 119.873 . 1 179 40 47 GLY H H 8.405 . 1 180 40 47 GLY C C 172.071 . 1 181 40 47 GLY CA C 43.645 . 1 182 40 47 GLY N N 109.680 . 1 183 41 48 LYS H H 8.071 . 1 184 41 48 LYS C C 174.791 . 1 185 41 48 LYS CA C 55.474 . 1 186 41 48 LYS CB C 30.126 . 1 187 41 48 LYS N N 120.475 . 1 188 42 49 LEU H H 7.985 . 1 189 42 49 LEU N N 120.323 . 1 190 43 50 GLU H H 7.975 . 1 191 43 50 GLU C C 174.231 . 1 192 43 50 GLU CA C 56.365 . 1 193 43 50 GLU CB C 30.255 . 1 194 43 50 GLU N N 121.503 . 1 195 44 51 ALA H H 7.919 . 1 196 44 51 ALA C C 175.567 . 1 197 44 51 ALA CA C 52.316 . 1 198 44 51 ALA CB C 16.084 . 1 199 44 51 ALA N N 120.670 . 1 200 45 52 LEU H H 7.783 . 1 201 45 52 LEU C C 173.452 . 1 202 45 52 LEU CA C 55.295 . 1 203 45 52 LEU N N 118.353 . 1 204 46 53 TYR H H 7.888 . 1 205 46 53 TYR CA C 56.913 . 1 206 46 53 TYR N N 121.908 . 1 207 47 54 VAL H H 8.012 . 1 208 47 54 VAL CA C 64.594 . 1 209 47 54 VAL N N 119.630 . 1 210 48 55 LEU H H 8.388 . 1 211 48 55 LEU CA C 55.907 . 1 212 48 55 LEU N N 119.717 . 1 213 49 56 MET H H 8.214 . 1 214 49 56 MET C C 173.961 . 1 215 49 56 MET CA C 54.017 . 1 216 49 56 MET N N 120.116 . 1 217 50 57 VAL H H 8.377 . 1 218 50 57 VAL C C 172.718 . 1 219 50 57 VAL CA C 63.833 . 1 220 50 57 VAL CB C 36.409 . 1 221 50 57 VAL N N 120.064 . 1 222 51 58 LEU H H 8.013 . 1 223 51 58 LEU C C 176.877 . 1 224 51 58 LEU CA C 53.337 . 1 225 51 58 LEU N N 120.999 . 1 226 52 59 GLY H H 8.788 . 1 227 52 59 GLY C C 172.137 . 1 228 52 59 GLY CA C 44.959 . 1 229 52 59 GLY N N 106.774 . 1 230 53 60 PHE H H 8.506 . 1 231 53 60 PHE C C 176.404 . 1 232 53 60 PHE CA C 59.202 . 1 233 53 60 PHE N N 122.200 . 1 234 54 61 PHE H H 8.737 . 1 235 54 61 PHE C C 174.879 . 1 236 54 61 PHE CA C 59.088 . 1 237 54 61 PHE CB C 36.487 . 1 238 54 61 PHE N N 120.887 . 1 239 55 62 GLY H H 9.043 . 1 240 55 62 GLY C C 172.078 . 1 241 55 62 GLY CA C 45.115 . 1 242 55 62 GLY N N 107.554 . 1 243 56 63 PHE H H 8.624 . 1 244 56 63 PHE C C 175.139 . 1 245 56 63 PHE CA C 58.785 . 1 246 56 63 PHE CB C 36.688 . 1 247 56 63 PHE N N 120.496 . 1 248 57 64 THR H H 7.899 . 1 249 57 64 THR C C 174.013 . 1 250 57 64 THR CA C 61.231 . 1 251 57 64 THR CB C 67.148 . 1 252 57 64 THR N N 115.582 . 1 253 58 65 VAL H H 8.055 . 1 254 58 65 VAL C C 175.289 . 1 255 58 65 VAL CA C 58.045 . 1 256 58 65 VAL CB C 36.327 . 1 257 58 65 VAL N N 119.413 . 1 258 59 66 GLY H H 8.445 . 1 259 59 66 GLY CA C 45.134 . 1 260 59 66 GLY N N 108.292 . 1 261 60 67 GLY H H 7.664 . 1 262 60 67 GLY N N 108.362 . 1 263 61 68 ILE H H 8.009 . 1 264 61 68 ILE C C 175.875 . 1 265 61 68 ILE CA C 62.549 . 1 266 61 68 ILE N N 120.117 . 1 267 62 69 MET H H 8.371 . 1 268 62 69 MET C C 175.614 . 1 269 62 69 MET CA C 56.610 . 1 270 62 69 MET CB C 36.219 . 1 271 62 69 MET N N 119.344 . 1 272 63 70 LEU H H 8.574 . 1 273 63 70 LEU C C 176.291 . 1 274 63 70 LEU CA C 55.749 . 1 275 63 70 LEU CB C 39.084 . 1 276 63 70 LEU N N 119.083 . 1 277 64 71 SER H H 7.956 . 1 278 64 71 SER CA C 59.577 . 1 279 64 71 SER N N 114.492 . 1 280 65 72 TYR H H 8.192 . 1 281 65 72 TYR C C 175.487 . 1 282 65 72 TYR CA C 59.212 . 1 283 65 72 TYR N N 123.305 . 1 284 66 73 ILE H H 8.376 . 1 285 66 73 ILE C C 174.461 . 1 286 66 73 ILE CA C 63.036 . 1 287 66 73 ILE N N 119.654 . 1 288 67 74 ARG H H 8.268 . 1 289 67 74 ARG C C 175.634 . 1 290 67 74 ARG CA C 56.534 . 1 291 67 74 ARG CB C 27.668 . 1 292 67 74 ARG N N 119.559 . 1 293 68 75 SER H H 7.887 . 1 294 68 75 SER CA C 58.410 . 1 295 68 75 SER CB C 60.715 . 1 296 68 75 SER N N 114.412 . 1 297 69 76 LYS H H 7.592 . 1 298 69 76 LYS C C 174.991 . 1 299 69 76 LYS CA C 58.219 . 1 300 69 76 LYS CB C 36.228 . 1 301 69 76 LYS N N 120.680 . 1 302 70 77 LYS H H 7.865 . 1 303 70 77 LYS C C 174.727 . 1 304 70 77 LYS CA C 54.513 . 1 305 70 77 LYS CB C 29.879 . 1 306 70 77 LYS N N 119.124 . 1 307 71 78 LEU H H 7.874 . 1 308 71 78 LEU C C 175.143 . 1 309 71 78 LEU CA C 53.275 . 1 310 71 78 LEU CB C 39.668 . 1 311 71 78 LEU N N 120.494 . 1 312 72 79 GLU H H 8.009 . 1 313 72 79 GLU C C 176.888 . 1 314 72 79 GLU CA C 53.287 . 1 315 72 79 GLU CB C 27.552 . 1 316 72 79 GLU N N 120.042 . 1 317 73 80 HIS H H 7.980 . 1 318 73 80 HIS C C 174.392 . 1 319 73 80 HIS CA C 55.178 . 1 320 73 80 HIS CB C 27.559 . 1 321 73 80 HIS N N 117.661 . 1 322 74 81 SER H H 7.990 . 1 323 74 81 SER CA C 56.892 . 1 324 74 81 SER CB C 61.196 . 1 325 74 81 SER N N 114.251 . 1 326 75 82 ASN H H 8.283 . 1 327 75 82 ASN C C 171.861 . 1 328 75 82 ASN CA C 50.554 . 1 329 75 82 ASN CB C 36.500 . 1 330 75 82 ASN N N 120.726 . 1 331 76 83 ASP H H 8.036 . 1 332 76 83 ASP CA C 50.127 . 1 333 76 83 ASP CB C 38.870 . 1 334 76 83 ASP N N 121.293 . 1 335 77 84 PRO C C 174.424 . 1 336 77 84 PRO CA C 61.357 . 1 337 78 85 PHE H H 8.188 . 1 338 78 85 PHE C C 173.239 . 1 339 78 85 PHE CA C 55.865 . 1 340 78 85 PHE CB C 36.404 . 1 341 78 85 PHE N N 117.821 . 1 342 79 86 ASN H H 7.977 . 1 343 79 86 ASN C C 172.769 . 1 344 79 86 ASN CA C 51.739 . 1 345 79 86 ASN CB C 36.502 . 1 346 79 86 ASN N N 119.237 . 1 347 80 87 VAL H H 7.761 . 1 348 80 87 VAL CA C 60.635 . 1 349 80 87 VAL CB C 29.845 . 1 350 80 87 VAL N N 118.482 . 1 351 81 88 TYR C C 173.172 . 1 352 82 89 ILE H H 7.687 . 1 353 82 89 ILE N N 120.874 . 1 354 83 90 GLU C C 173.956 . 1 355 83 90 GLU CA C 53.903 . 1 356 83 90 GLU CB C 27.585 . 1 357 84 91 SER H H 8.001 . 1 358 84 91 SER C C 172.181 . 1 359 84 91 SER CA C 56.373 . 1 360 84 91 SER CB C 61.634 . 1 361 84 91 SER N N 116.303 . 1 362 85 92 ASP H H 8.346 . 1 363 85 92 ASP C C 174.083 . 1 364 85 92 ASP CA C 52.586 . 1 365 85 92 ASP CB C 38.219 . 1 366 85 92 ASP N N 122.015 . 1 367 86 93 ALA H H 7.977 . 1 368 86 93 ALA CA C 51.069 . 1 369 86 93 ALA CB C 16.386 . 1 370 86 93 ALA N N 122.622 . 1 371 88 95 GLN C C 172.958 . 1 372 89 96 GLU H H 7.949 . 1 373 89 96 GLU N N 116.600 . 1 374 93 100 ALA H H 7.893 . 1 375 93 100 ALA N N 120.091 . 1 376 94 101 TYR H H 7.755 . 1 377 94 101 TYR C C 175.138 . 1 378 94 101 TYR CA C 58.402 . 1 379 94 101 TYR CB C 35.593 . 1 380 94 101 TYR N N 119.600 . 1 381 95 102 VAL H H 7.870 . 1 382 95 102 VAL C C 175.543 . 1 383 95 102 VAL CA C 63.505 . 1 384 95 102 VAL CB C 28.895 . 1 385 95 102 VAL N N 117.867 . 1 386 96 103 GLN H H 8.294 . 1 387 96 103 GLN CA C 56.697 . 1 388 96 103 GLN CB C 27.478 . 1 389 96 103 GLN N N 118.834 . 1 390 97 104 ALA CA C 52.137 . 1 391 97 104 ALA CB C 16.047 . 1 392 98 105 ARG H H 8.007 . 1 393 98 105 ARG C C 176.223 . 1 394 98 105 ARG CA C 54.988 . 1 395 98 105 ARG CB C 27.249 . 1 396 98 105 ARG N N 117.533 . 1 397 99 106 VAL H H 8.116 . 1 398 99 106 VAL C C 174.526 . 1 399 99 106 VAL CA C 63.169 . 1 400 99 106 VAL N N 119.736 . 1 401 100 107 LEU H H 8.070 . 1 402 100 107 LEU N N 120.802 . 1 403 101 108 GLU H H 8.042 . 1 404 101 108 GLU C C 175.999 . 1 405 101 108 GLU CA C 56.137 . 1 406 101 108 GLU CB C 27.072 . 1 407 101 108 GLU N N 118.453 . 1 408 102 109 SER H H 7.909 . 1 409 102 109 SER CA C 58.587 . 1 410 102 109 SER CB C 60.780 . 1 411 102 109 SER N N 115.166 . 1 412 104 111 ARG H H 7.830 . 1 413 104 111 ARG C C 174.033 . 1 414 104 111 ARG CA C 60.647 . 1 415 104 111 ARG CB C 29.459 . 1 416 104 111 ARG N N 119.530 . 1 417 105 112 SER H H 8.172 . 1 418 105 112 SER C C 172.379 . 1 419 105 112 SER CA C 53.755 . 1 420 105 112 SER CB C 61.341 . 1 421 105 112 SER N N 117.597 . 1 422 106 113 SER H H 7.879 . 1 423 106 113 SER C C 171.819 . 1 424 106 113 SER CA C 56.915 . 1 425 106 113 SER CB C 61.395 . 1 426 106 113 SER N N 116.543 . 1 427 107 114 TYR H H 7.929 . 1 428 107 114 TYR C C 173.098 . 1 429 107 114 TYR CA C 56.345 . 1 430 107 114 TYR CB C 36.334 . 1 431 107 114 TYR N N 121.101 . 1 432 108 115 VAL H H 7.693 . 1 433 108 115 VAL C C 173.466 . 1 434 108 115 VAL CA C 60.481 . 1 435 108 115 VAL CB C 29.951 . 1 436 108 115 VAL N N 120.157 . 1 437 109 116 VAL H H 7.835 . 1 438 109 116 VAL C C 173.811 . 1 439 109 116 VAL CA C 60.517 . 1 440 109 116 VAL CB C 30.044 . 1 441 109 116 VAL N N 122.360 . 1 442 110 117 GLU H H 8.289 . 1 443 110 117 GLU CA C 54.561 . 1 444 110 117 GLU CB C 27.315 . 1 445 110 117 GLU N N 123.010 . 1 446 111 118 ASN H H 7.718 . 1 447 111 118 ASN N N 121.118 . 1 448 112 119 HIS C C 172.000 . 1 449 112 119 HIS CA C 53.634 . 1 450 112 119 HIS CB C 26.991 . 1 451 113 120 LEU H H 8.029 . 1 452 113 120 LEU C C 174.108 . 1 453 113 120 LEU CA C 52.804 . 1 454 113 120 LEU CB C 39.996 . 1 455 113 120 LEU N N 121.867 . 1 456 114 121 ALA H H 8.049 . 1 457 114 121 ALA C C 174.640 . 1 458 114 121 ALA CA C 49.833 . 1 459 114 121 ALA CB C 16.473 . 1 460 114 121 ALA N N 124.535 . 1 461 115 122 ILE H H 7.804 . 1 462 115 122 ILE C C 173.461 . 1 463 115 122 ILE CA C 58.512 . 1 464 115 122 ILE CB C 36.439 . 1 465 115 122 ILE N N 119.084 . 1 466 116 123 GLU H H 8.262 . 1 467 116 123 GLU C C 173.401 . 1 468 116 123 GLU CA C 53.876 . 1 469 116 123 GLU CB C 27.709 . 1 470 116 123 GLU N N 124.336 . 1 471 117 124 GLN H H 8.303 . 1 472 117 124 GLN CA C 51.118 . 1 473 117 124 GLN CB C 26.581 . 1 474 117 124 GLN N N 122.465 . 1 475 118 125 PRO C C 174.158 . 1 476 118 125 PRO CA C 60.858 . 1 477 118 125 PRO CB C 29.566 . 1 478 119 126 ASN H H 8.448 . 1 479 119 126 ASN C C 172.882 . 1 480 119 126 ASN CA C 50.831 . 1 481 119 126 ASN CB C 36.186 . 1 482 119 126 ASN N N 118.423 . 1 483 120 127 THR H H 7.919 . 1 484 120 127 THR CA C 59.476 . 1 485 120 127 THR CB C 66.947 . 1 486 120 127 THR N N 113.728 . 1 487 121 128 HIS H H 8.217 . 1 488 121 128 HIS C C 171.764 . 1 489 121 128 HIS CA C 53.028 . 1 490 121 128 HIS CB C 27.086 . 1 491 121 128 HIS N N 120.941 . 1 492 122 129 LEU H H 8.099 . 1 493 122 129 LEU CA C 50.609 . 1 494 122 129 LEU CB C 39.160 . 1 495 122 129 LEU N N 124.943 . 1 496 123 130 PRO C C 174.259 . 1 497 123 130 PRO CA C 60.709 . 1 498 123 130 PRO CB C 29.567 . 1 499 124 131 GLU H H 8.404 . 1 500 124 131 GLU C C 174.122 . 1 501 124 131 GLU CA C 54.118 . 1 502 124 131 GLU CB C 27.848 . 1 503 124 131 GLU N N 120.880 . 1 504 125 132 THR H H 8.090 . 1 505 125 132 THR C C 171.555 . 1 506 125 132 THR CA C 59.312 . 1 507 125 132 THR CB C 67.394 . 1 508 125 132 THR N N 115.926 . 1 509 126 133 LYS H H 8.236 . 1 510 126 133 LYS CA C 51.591 . 1 511 126 133 LYS CB C 30.121 . 1 512 126 133 LYS N N 125.228 . 1 513 127 134 PRO C C 173.188 . 1 514 127 134 PRO CA C 60.626 . 1 515 127 134 PRO CB C 29.447 . 1 516 128 135 SER H H 7.918 . 1 517 128 135 SER CA C 53.303 . 1 518 128 135 SER CB C 62.189 . 1 519 128 135 SER N N 116.156 . 1 stop_ save_ save_assigned_chem_shift_list_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HN(CO)CA' 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 'LMPG detergent' _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 20 27 THR H H 7.820 . 1 2 40 47 GLY H H 8.422 . 1 3 45 52 LEU H H 7.654 . 1 4 46 53 TYR CA C 56.402 . 1 5 50 57 VAL CA C 53.896 . 1 6 71 78 LEU H H 7.893 . 1 7 79 86 ASN H H 7.851 . 1 8 108 115 VAL CA C 60.501 . 1 9 116 123 GLU H H 8.134 . 1 10 117 124 GLN H H 8.178 . 1 stop_ save_