data_27315 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Outer Membrane Protein X in PC14:1 MSPdH5 Nanodisc ; _BMRB_accession_number 27315 _BMRB_flat_file_name bmr27315.str _Entry_type original _Submission_date 2017-11-22 _Accession_date 2017-11-22 _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 Frey Lukas . . 2 Riek Roland . . 3 Bibow Stefan . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 144 "13C chemical shifts" 141 "15N chemical shifts" 144 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-12-10 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 15201 'Sequence-specific resonance assignments for OmpX in 8 M urea aqueous solution' 18796 'OmpX in phopspholipid nanodiscs' stop_ _Original_release_date 2017-11-22 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Lipid- and Cholesterol-Mediated Time-Scale-Specific Modulation of the Outer Membrane Protein X Dynamics in Lipid Bilayers ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30289706 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Frey Lukas . . 2 Hiller Sebastian . . 3 Riek Roland . . 4 Bibow Stefan . . stop_ _Journal_abbreviation 'J. Am. Chem. Soc.' _Journal_name_full 'Journal of the American Chemical Society' _Journal_volume 140 _Journal_issue 45 _Journal_ISSN 1520-5126 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 15402 _Page_last 15411 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'MSPdH5 Nanodisc' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'MSPdH5 Nanodisc' $MSPdH5 stop_ _System_molecular_weight 21468.1 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details 'Two MSPdH5 proteins form one nanodisc' save_ ######################## # Monomeric polymers # ######################## save_MSPdH5 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common MSPdH5 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 148 _Mol_residue_sequence ; ATSTVTGGYAQSDAQGQMNK MGGFNLKYRYEEDNSPLGVI GSFTYTEKSRTASSGDYNKN QYYGITAGPAYRINDWASIY GVVGVGYGKFQTTEYPTYKN DTSDYGFSYGAGLQFNPMEN VALDFSYEQSRIRSVDVGTW IAGVGYRF ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 THR 3 SER 4 THR 5 VAL 6 THR 7 GLY 8 GLY 9 TYR 10 ALA 11 GLN 12 SER 13 ASP 14 ALA 15 GLN 16 GLY 17 GLN 18 MET 19 ASN 20 LYS 21 MET 22 GLY 23 GLY 24 PHE 25 ASN 26 LEU 27 LYS 28 TYR 29 ARG 30 TYR 31 GLU 32 GLU 33 ASP 34 ASN 35 SER 36 PRO 37 LEU 38 GLY 39 VAL 40 ILE 41 GLY 42 SER 43 PHE 44 THR 45 TYR 46 THR 47 GLU 48 LYS 49 SER 50 ARG 51 THR 52 ALA 53 SER 54 SER 55 GLY 56 ASP 57 TYR 58 ASN 59 LYS 60 ASN 61 GLN 62 TYR 63 TYR 64 GLY 65 ILE 66 THR 67 ALA 68 GLY 69 PRO 70 ALA 71 TYR 72 ARG 73 ILE 74 ASN 75 ASP 76 TRP 77 ALA 78 SER 79 ILE 80 TYR 81 GLY 82 VAL 83 VAL 84 GLY 85 VAL 86 GLY 87 TYR 88 GLY 89 LYS 90 PHE 91 GLN 92 THR 93 THR 94 GLU 95 TYR 96 PRO 97 THR 98 TYR 99 LYS 100 ASN 101 ASP 102 THR 103 SER 104 ASP 105 TYR 106 GLY 107 PHE 108 SER 109 TYR 110 GLY 111 ALA 112 GLY 113 LEU 114 GLN 115 PHE 116 ASN 117 PRO 118 MET 119 GLU 120 ASN 121 VAL 122 ALA 123 LEU 124 ASP 125 PHE 126 SER 127 TYR 128 GLU 129 GLN 130 SER 131 ARG 132 ILE 133 ARG 134 SER 135 VAL 136 ASP 137 VAL 138 GLY 139 THR 140 TRP 141 ILE 142 ALA 143 GLY 144 VAL 145 GLY 146 TYR 147 ARG 148 PHE 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 $MSPdH5 '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 $MSPdH5 'recombinant technology' . Escherichia coli . pET_28b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; OmpX in MSPdH5 Nanodisc using PC14:1 lipids; 20mM Tris, 100mM NaCl, pH 7.4 ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $MSPdH5 300 uM 250 350 '[U-100% 13C; U-100% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Cambridge _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details 'temperature: 316K-283K.' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.4 . pH pressure 1 . atm temperature 299.5 16.5 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 water C 13 protons ppm 0 internal direct . . . . water H 1 protons ppm 0 internal direct . . . 1.0 water N 15 protons ppm 0 internal direct . . . . 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' 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 'MSPdH5 Nanodisc' _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 1 ALA CA C 51.560 0.00 . 2 2 2 THR H H 8.495 0.00 . 3 2 2 THR CA C 61.039 0.00 . 4 2 2 THR N N 114.338 0.06 . 5 3 3 SER H H 9.000 0.00 . 6 3 3 SER CA C 56.760 0.00 . 7 3 3 SER N N 122.430 0.00 . 8 4 4 THR H H 8.610 0.00 . 9 4 4 THR CA C 61.390 0.00 . 10 4 4 THR N N 117.240 0.00 . 11 5 5 VAL H H 8.750 0.00 . 12 5 5 VAL CA C 59.760 0.00 . 13 5 5 VAL N N 129.440 0.00 . 14 6 6 THR H H 8.890 0.00 . 15 6 6 THR CA C 58.590 0.00 . 16 6 6 THR N N 116.430 0.00 . 17 7 7 GLY H H 8.760 0.00 . 18 7 7 GLY CA C 44.320 0.00 . 19 7 7 GLY N N 105.590 0.00 . 20 8 8 GLY H H 9.100 0.00 . 21 8 8 GLY CA C 45.930 0.00 . 22 8 8 GLY N N 106.530 0.00 . 23 9 9 TYR H H 8.410 0.00 . 24 9 9 TYR CA C 56.840 0.00 . 25 9 9 TYR N N 121.730 0.00 . 26 10 10 ALA H H 6.910 0.00 . 27 10 10 ALA CA C 48.210 0.00 . 28 10 10 ALA N N 128.460 0.00 . 29 11 11 GLN H H 8.100 0.00 . 30 11 11 GLN CA C 53.830 0.00 . 31 11 11 GLN N N 118.830 0.00 . 32 12 12 SER H H 9.160 0.00 . 33 12 12 SER CA C 57.190 0.00 . 34 12 12 SER N N 124.200 0.00 . 35 13 13 ASP H H 9.070 0.00 . 36 13 13 ASP CA C 52.960 0.00 . 37 13 13 ASP N N 124.950 0.00 . 38 14 14 ALA H H 8.560 0.00 . 39 14 14 ALA CA C 49.810 0.00 . 40 14 14 ALA N N 128.730 0.00 . 41 15 15 GLN H H 8.340 0.00 . 42 15 15 GLN CA C 57.120 0.00 . 43 15 15 GLN N N 122.750 0.00 . 44 16 16 GLY H H 8.650 0.00 . 45 16 16 GLY CA C 45.180 0.00 . 46 16 16 GLY N N 112.800 0.00 . 47 17 17 GLN H H 8.080 0.00 . 48 17 17 GLN CA C 54.600 0.00 . 49 17 17 GLN N N 119.300 0.00 . 50 18 18 MET H H 8.370 0.00 . 51 18 18 MET CA C 55.980 0.00 . 52 18 18 MET N N 120.170 0.00 . 53 19 19 ASN H H 7.990 0.00 . 54 19 19 ASN CA C 52.300 0.00 . 55 19 19 ASN N N 117.900 0.00 . 56 20 20 LYS H H 8.340 0.00 . 57 20 20 LYS CA C 55.700 0.00 . 58 20 20 LYS N N 120.800 0.00 . 59 21 21 MET H H 8.580 0.00 . 60 21 21 MET CA C 54.800 0.00 . 61 21 21 MET N N 120.500 0.00 . 62 22 22 GLY H H 8.430 0.00 . 63 22 22 GLY CA C 43.810 0.00 . 64 22 22 GLY N N 111.280 0.00 . 65 23 23 GLY H H 8.180 0.00 . 66 23 23 GLY CA C 46.150 0.00 . 67 23 23 GLY N N 120.170 0.00 . 68 24 24 PHE H H 9.230 0.00 . 69 24 24 PHE CA C 54.730 0.00 . 70 24 24 PHE N N 121.370 0.00 . 71 25 25 ASN H H 8.520 0.00 . 72 25 25 ASN CA C 50.870 0.00 . 73 25 25 ASN N N 118.950 0.00 . 74 26 26 LEU H H 9.340 0.00 . 75 26 26 LEU CA C 53.490 0.00 . 76 26 26 LEU N N 126.150 0.00 . 77 27 27 LYS H H 8.850 0.00 . 78 27 27 LYS CA C 55.190 0.00 . 79 27 27 LYS N N 117.980 0.00 . 80 28 28 TYR H H 8.430 0.00 . 81 28 28 TYR CA C 56.280 0.00 . 82 28 28 TYR N N 120.820 0.00 . 83 29 29 ARG H H 8.670 0.00 . 84 29 29 ARG CA C 53.000 0.00 . 85 29 29 ARG N N 129.660 0.00 . 86 30 30 TYR H H 8.930 0.00 . 87 30 30 TYR CA C 56.830 0.00 . 88 30 30 TYR N N 127.210 0.00 . 89 31 31 GLU H H 8.170 0.00 . 90 31 31 GLU CA C 54.630 0.00 . 91 31 31 GLU N N 128.090 0.00 . 92 32 32 GLU H H 9.120 0.00 . 93 32 32 GLU CA C 54.570 0.00 . 94 32 32 GLU N N 122.610 0.00 . 95 33 33 ASP H H 8.600 0.00 . 96 33 33 ASP CA C 55.870 0.00 . 97 33 33 ASP N N 121.920 0.00 . 98 34 34 ASN H H 8.420 0.00 . 99 34 34 ASN CA C 53.360 0.00 . 100 34 34 ASN N N 115.300 0.00 . 101 35 35 SER H H 7.270 0.00 . 102 35 35 SER CA C 54.260 0.00 . 103 35 35 SER N N 112.970 0.00 . 104 36 36 PRO CA C 63.360 0.00 . 105 37 37 LEU H H 7.910 0.00 . 106 37 37 LEU CA C 53.840 0.00 . 107 37 37 LEU N N 123.000 0.00 . 108 38 38 GLY H H 9.110 0.00 . 109 38 38 GLY CA C 44.430 0.00 . 110 38 38 GLY N N 117.320 0.00 . 111 39 39 VAL H H 7.980 0.00 . 112 39 39 VAL CA C 59.000 0.00 . 113 39 39 VAL N N 116.550 0.00 . 114 40 40 ILE H H 9.160 0.00 . 115 40 40 ILE CA C 58.540 0.00 . 116 40 40 ILE N N 125.640 0.00 . 117 41 41 GLY H H 8.930 0.00 . 118 41 41 GLY CA C 43.150 0.00 . 119 41 41 GLY N N 111.830 0.00 . 120 42 42 SER H H 9.190 0.00 . 121 42 42 SER CA C 56.220 0.00 . 122 42 42 SER N N 116.940 0.00 . 123 43 43 PHE H H 9.300 0.00 . 124 43 43 PHE CA C 55.960 0.00 . 125 43 43 PHE N N 129.230 0.00 . 126 44 44 THR H H 8.820 0.00 . 127 44 44 THR CA C 60.410 0.00 . 128 44 44 THR N N 126.530 0.00 . 129 45 45 TYR H H 8.210 0.00 . 130 45 45 TYR CA C 55.670 0.00 . 131 45 45 TYR N N 125.840 0.00 . 132 46 46 THR H H 8.550 0.00 . 133 46 46 THR CA C 58.720 0.00 . 134 46 46 THR N N 117.670 0.00 . 135 47 47 GLU H H 8.170 0.00 . 136 47 47 GLU CA C 54.580 0.00 . 137 47 47 GLU N N 112.160 0.00 . 138 49 49 SER CA C 58.210 0.00 . 139 50 50 ARG H H 8.600 0.00 . 140 50 50 ARG CA C 55.960 0.00 . 141 50 50 ARG N N 124.000 0.00 . 142 51 51 THR H H 8.240 0.00 . 143 51 51 THR CA C 61.820 0.00 . 144 51 51 THR N N 115.720 0.00 . 145 52 52 ALA H H 8.399 0.00 . 146 52 52 ALA CA C 52.000 0.00 . 147 52 52 ALA N N 127.512 0.00 . 148 53 53 SER H H 8.000 0.00 . 149 53 53 SER CA C 58.350 0.00 . 150 53 53 SER N N 113.990 0.00 . 151 54 54 SER H H 8.050 0.00 . 152 54 54 SER CA C 58.500 0.00 . 153 54 54 SER N N 113.510 0.00 . 154 55 55 GLY H H 8.140 0.00 . 155 55 55 GLY CA C 44.200 0.00 . 156 55 55 GLY N N 112.640 0.00 . 157 56 56 ASP H H 7.862 0.00 . 158 56 56 ASP CA C 54.100 0.00 . 159 56 56 ASP N N 120.420 0.00 . 160 57 57 TYR H H 8.150 0.00 . 161 57 57 TYR CA C 57.280 0.00 . 162 57 57 TYR N N 121.140 0.00 . 163 59 59 LYS H H 8.227 0.00 . 164 59 59 LYS CA C 55.410 0.00 . 165 59 59 LYS N N 121.290 0.00 . 166 60 60 ASN H H 8.360 0.00 . 167 60 60 ASN CA C 52.200 0.00 . 168 60 60 ASN N N 122.740 0.00 . 169 61 61 GLN H H 8.530 0.00 . 170 61 61 GLN CA C 54.740 0.00 . 171 61 61 GLN N N 120.450 0.00 . 172 62 62 TYR H H 8.610 0.00 . 173 62 62 TYR CA C 56.840 0.00 . 174 62 62 TYR N N 123.620 0.00 . 175 63 63 TYR H H 8.400 0.00 . 176 63 63 TYR CA C 54.580 0.00 . 177 63 63 TYR N N 123.920 0.00 . 178 64 64 GLY H H 8.760 0.00 . 179 64 64 GLY CA C 44.570 0.00 . 180 64 64 GLY N N 107.510 0.00 . 181 65 65 ILE H H 8.900 0.00 . 182 65 65 ILE CA C 59.960 0.00 . 183 65 65 ILE N N 128.470 0.00 . 184 66 66 THR H H 8.900 0.00 . 185 66 66 THR CA C 58.670 0.00 . 186 66 66 THR N N 115.890 0.00 . 187 67 67 ALA H H 9.370 0.00 . 188 67 67 ALA CA C 51.500 0.00 . 189 67 67 ALA N N 119.730 0.00 . 190 68 68 GLY H H 8.900 0.00 . 191 68 68 GLY CA C 45.920 0.00 . 192 68 68 GLY N N 104.240 0.00 . 193 69 69 PRO CA C 61.040 0.00 . 194 70 70 ALA H H 7.870 0.00 . 195 70 70 ALA CA C 49.490 0.00 . 196 70 70 ALA N N 120.220 0.00 . 197 71 71 TYR H H 9.780 0.00 . 198 71 71 TYR CA C 56.120 0.00 . 199 71 71 TYR N N 126.080 0.00 . 200 72 72 ARG H H 8.770 0.00 . 201 72 72 ARG CA C 56.020 0.00 . 202 72 72 ARG N N 131.410 0.00 . 203 73 73 ILE H H 8.400 0.00 . 204 73 73 ILE CA C 62.950 0.00 . 205 73 73 ILE N N 129.550 0.00 . 206 74 74 ASN H H 7.920 0.00 . 207 74 74 ASN CA C 51.830 0.00 . 208 74 74 ASN N N 114.870 0.00 . 209 75 75 ASP H H 8.320 0.00 . 210 75 75 ASP CA C 56.920 0.00 . 211 75 75 ASP N N 113.980 0.00 . 212 76 76 TRP H H 7.970 0.00 . 213 76 76 TRP CA C 55.410 0.00 . 214 76 76 TRP N N 113.600 0.00 . 215 77 77 ALA H H 7.740 0.00 . 216 77 77 ALA CA C 52.070 0.00 . 217 77 77 ALA N N 125.520 0.00 . 218 78 78 SER H H 8.100 0.00 . 219 78 78 SER CA C 57.250 0.00 . 220 78 78 SER N N 114.140 0.00 . 221 79 79 ILE H H 8.960 0.00 . 222 79 79 ILE CA C 58.450 0.00 . 223 79 79 ILE N N 120.650 0.00 . 224 80 80 TYR H H 8.360 0.00 . 225 80 80 TYR CA C 55.980 0.00 . 226 80 80 TYR N N 120.580 0.00 . 227 81 81 GLY H H 8.050 0.00 . 228 81 81 GLY CA C 44.000 0.00 . 229 81 81 GLY N N 106.140 0.00 . 230 82 82 VAL H H 8.490 0.00 . 231 82 82 VAL CA C 58.180 0.00 . 232 82 82 VAL N N 111.380 0.00 . 233 83 83 VAL H H 8.970 0.00 . 234 83 83 VAL CA C 59.090 0.00 . 235 83 83 VAL N N 113.660 0.00 . 236 84 84 GLY H H 8.480 0.00 . 237 84 84 GLY CA C 46.770 0.00 . 238 84 84 GLY N N 108.310 0.00 . 239 85 85 VAL H H 8.920 0.00 . 240 85 85 VAL CA C 59.170 0.00 . 241 85 85 VAL N N 122.520 0.00 . 242 86 86 GLY H H 8.880 0.00 . 243 86 86 GLY CA C 43.280 0.00 . 244 86 86 GLY N N 113.360 0.00 . 245 87 87 TYR H H 9.310 0.00 . 246 87 87 TYR CA C 55.930 0.00 . 247 87 87 TYR N N 123.830 0.00 . 248 88 88 GLY H H 8.000 0.00 . 249 88 88 GLY CA C 44.400 0.00 . 250 88 88 GLY N N 112.300 0.00 . 251 89 89 LYS H H 8.083 0.00 . 252 89 89 LYS CA C 54.480 0.00 . 253 89 89 LYS N N 122.410 0.00 . 254 90 90 PHE H H 8.396 0.00 . 255 90 90 PHE CA C 55.030 0.00 . 256 90 90 PHE N N 120.275 0.00 . 257 91 91 GLN H H 8.370 0.00 . 258 91 91 GLN CA C 55.330 0.00 . 259 91 91 GLN N N 122.380 0.00 . 260 94 94 GLU CA C 57.030 0.00 . 261 95 95 TYR H H 7.830 0.00 . 262 95 95 TYR CA C 55.290 0.00 . 263 95 95 TYR N N 120.240 0.00 . 264 97 97 THR CA C 62.210 0.00 . 265 98 98 TYR H H 8.040 0.00 . 266 98 98 TYR CA C 57.530 0.00 . 267 98 98 TYR N N 122.540 0.00 . 268 101 101 ASP CA C 54.020 0.00 . 269 102 102 THR H H 8.520 0.00 . 270 102 102 THR CA C 61.590 0.00 . 271 102 102 THR N N 117.650 0.00 . 272 103 103 SER H H 8.240 0.00 . 273 103 103 SER CA C 57.310 0.00 . 274 103 103 SER N N 119.470 0.00 . 275 104 104 ASP H H 8.270 0.00 . 276 104 104 ASP CA C 53.600 0.00 . 277 104 104 ASP N N 122.250 0.00 . 278 105 105 TYR H H 8.560 0.00 . 279 105 105 TYR CA C 55.550 0.00 . 280 105 105 TYR N N 116.040 0.00 . 281 106 106 GLY H H 9.190 0.00 . 282 106 106 GLY CA C 44.490 0.00 . 283 106 106 GLY N N 108.500 0.00 . 284 107 107 PHE H H 8.860 0.00 . 285 107 107 PHE CA C 57.540 0.00 . 286 107 107 PHE N N 121.420 0.00 . 287 108 108 SER H H 8.110 0.00 . 288 108 108 SER CA C 56.100 0.00 . 289 108 108 SER N N 123.250 0.00 . 290 109 109 TYR H H 8.480 0.00 . 291 109 109 TYR CA C 55.320 0.00 . 292 109 109 TYR N N 117.840 0.00 . 293 110 110 GLY H H 8.980 0.00 . 294 110 110 GLY CA C 46.160 0.00 . 295 110 110 GLY N N 106.400 0.00 . 296 111 111 ALA H H 8.390 0.00 . 297 111 111 ALA CA C 50.970 0.00 . 298 111 111 ALA N N 119.140 0.00 . 299 112 112 GLY H H 7.820 0.00 . 300 112 112 GLY CA C 45.270 0.00 . 301 112 112 GLY N N 106.070 0.00 . 302 113 113 LEU H H 8.930 0.00 . 303 113 113 LEU CA C 52.690 0.00 . 304 113 113 LEU N N 116.370 0.00 . 305 114 114 GLN H H 7.860 0.00 . 306 114 114 GLN CA C 53.730 0.00 . 307 114 114 GLN N N 115.860 0.00 . 308 115 115 PHE H H 9.750 0.00 . 309 115 115 PHE CA C 55.200 0.00 . 310 115 115 PHE N N 126.580 0.00 . 311 116 116 ASN H H 9.450 0.00 . 312 116 116 ASN CA C 51.200 0.00 . 313 116 116 ASN N N 119.920 0.00 . 314 117 117 PRO CA C 63.700 0.00 . 315 118 118 MET H H 7.310 0.00 . 316 118 118 MET CA C 53.980 0.00 . 317 118 118 MET N N 110.530 0.00 . 318 119 119 GLU H H 9.120 0.00 . 319 119 119 GLU CA C 59.600 0.00 . 320 119 119 GLU N N 120.320 0.00 . 321 120 120 ASN H H 8.430 0.00 . 322 120 120 ASN CA C 53.400 0.00 . 323 120 120 ASN N N 112.490 0.00 . 324 121 121 VAL H H 7.500 0.00 . 325 121 121 VAL CA C 60.690 0.00 . 326 121 121 VAL N N 117.760 0.00 . 327 122 122 ALA H H 8.230 0.00 . 328 122 122 ALA CA C 49.390 0.00 . 329 122 122 ALA N N 127.190 0.00 . 330 123 123 LEU H H 8.910 0.00 . 331 123 123 LEU CA C 53.660 0.00 . 332 123 123 LEU N N 120.270 0.00 . 333 124 124 ASP H H 8.580 0.00 . 334 124 124 ASP CA C 53.820 0.00 . 335 124 124 ASP N N 127.350 0.00 . 336 125 125 PHE H H 8.670 0.00 . 337 125 125 PHE CA C 55.660 0.00 . 338 125 125 PHE N N 123.390 0.00 . 339 126 126 SER H H 9.390 0.00 . 340 126 126 SER CA C 58.120 0.00 . 341 126 126 SER N N 118.680 0.00 . 342 127 127 TYR H H 8.610 0.00 . 343 127 127 TYR CA C 55.440 0.00 . 344 127 127 TYR N N 119.080 0.00 . 345 128 128 GLU H H 8.510 0.00 . 346 128 128 GLU CA C 54.130 0.00 . 347 128 128 GLU N N 130.070 0.00 . 348 129 129 GLN H H 9.330 0.00 . 349 129 129 GLN CA C 53.210 0.00 . 350 129 129 GLN N N 128.670 0.00 . 351 130 130 SER H H 8.580 0.00 . 352 130 130 SER CA C 56.450 0.00 . 353 130 130 SER N N 118.630 0.00 . 354 131 131 ARG H H 7.690 0.00 . 355 131 131 ARG CA C 55.340 0.00 . 356 131 131 ARG N N 126.850 0.00 . 357 132 132 ILE H H 8.730 0.00 . 358 132 132 ILE CA C 58.890 0.00 . 359 132 132 ILE N N 129.470 0.00 . 360 133 133 ARG H H 9.400 0.00 . 361 133 133 ARG CA C 58.110 0.00 . 362 133 133 ARG N N 127.220 0.00 . 363 134 134 SER CA C 58.490 0.00 . 364 135 135 VAL H H 8.270 0.00 . 365 135 135 VAL CA C 61.870 0.00 . 366 135 135 VAL N N 124.810 0.00 . 367 136 136 ASP H H 8.010 0.00 . 368 136 136 ASP CA C 54.220 0.00 . 369 136 136 ASP N N 127.750 0.00 . 370 137 137 VAL H H 8.720 0.00 . 371 137 137 VAL CA C 60.450 0.00 . 372 137 137 VAL N N 124.520 0.00 . 373 138 138 GLY H H 8.240 0.00 . 374 138 138 GLY CA C 44.480 0.00 . 375 138 138 GLY N N 116.920 0.00 . 376 139 139 THR H H 8.710 0.00 . 377 139 139 THR CA C 60.890 0.00 . 378 139 139 THR N N 125.070 0.00 . 379 140 140 TRP H H 8.330 0.00 . 380 140 140 TRP CA C 55.130 0.00 . 381 140 140 TRP N N 125.840 0.00 . 382 141 141 ILE H H 8.980 0.00 . 383 141 141 ILE CA C 60.390 0.00 . 384 141 141 ILE N N 123.240 0.00 . 385 142 142 ALA H H 8.350 0.00 . 386 142 142 ALA CA C 50.530 0.00 . 387 142 142 ALA N N 127.680 0.00 . 388 143 143 GLY H H 9.520 0.00 . 389 143 143 GLY CA C 45.430 0.00 . 390 143 143 GLY N N 109.030 0.00 . 391 144 144 VAL H H 8.750 0.00 . 392 144 144 VAL CA C 58.270 0.00 . 393 144 144 VAL N N 114.110 0.00 . 394 145 145 GLY H H 8.590 0.00 . 395 145 145 GLY CA C 46.770 0.00 . 396 145 145 GLY N N 107.360 0.00 . 397 146 146 TYR H H 8.370 0.00 . 398 146 146 TYR CA C 55.250 0.00 . 399 146 146 TYR N N 121.960 0.00 . 400 147 147 ARG H H 7.690 0.00 . 401 147 147 ARG CA C 53.360 0.00 . 402 147 147 ARG N N 129.590 0.00 . 403 148 148 PHE H H 8.796 0.00 . 404 148 148 PHE N N 128.273 0.00 . 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' 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 'MSPdH5 Nanodisc' _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 1 ALA H H 8.210 0.00 . 2 1 1 ALA N N 123.140 0.00 . 3 49 49 SER H H 8.300 0.00 . 4 49 49 SER N N 116.240 0.00 . 5 52 52 ALA H H 8.210 0.00 . 6 52 52 ALA N N 123.140 0.00 . 7 56 56 ASP H H 8.310 0.00 . 8 56 56 ASP N N 120.510 0.00 . 9 59 59 LYS H H 8.190 0.00 . 10 59 59 LYS N N 120.950 0.00 . 11 89 89 LYS H H 8.230 0.00 . 12 89 89 LYS N N 122.459 0.00 . 13 90 90 PHE H H 8.380 0.00 . 14 90 90 PHE N N 120.290 0.00 . 15 94 94 GLU H H 8.330 0.00 . 16 94 94 GLU N N 120.520 0.00 . 17 95 95 TYR H H 8.182 0.00 . 18 95 95 TYR N N 123.331 0.00 . 19 97 97 THR H H 8.270 0.00 . 20 97 97 THR N N 115.350 0.00 . 21 101 101 ASP H H 8.310 0.00 . 22 101 101 ASP N N 120.510 0.00 . 23 108 108 SER CA C 123.360 0.00 . 24 134 134 SER H H 8.300 0.00 . 25 134 134 SER N N 116.240 0.00 . stop_ save_