data_30661 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR Structure Of The Full Length Latent Form MinE Protein From Neisseria gonorrheae ; _BMRB_accession_number 30661 _BMRB_flat_file_name bmr30661.str _Entry_type original _Submission_date 2019-08-30 _Accession_date 2019-08-30 _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 Cai M. . . 2 Shen Y. . . 3 Clore M. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 147 "13C chemical shifts" 236 "15N chemical shifts" 77 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-07-05 original BMRB . stop_ _Original_release_date 2019-11-18 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution NMR Structure Of The full length MinE Protein From Neisseria gonorrheae ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Cai M. . . 2 Clore M. . . 3 Shen Y. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Cell division topological specificity factor' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'entity_1, 1' $entity_1 'entity_1, 2' $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 9256.723 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 81 _Mol_residue_sequence ; MSLIELLFGQMQKTATVARD RLQIIIAQERAQEGQTPDYL PTLRKALMEVLSKYVNVSLD NIRISQEKQDGMDVLELNIT L ; loop_ _Residue_seq_code _Residue_label 1 MET 2 SER 3 LEU 4 ILE 5 GLU 6 LEU 7 LEU 8 PHE 9 GLY 10 GLN 11 MET 12 GLN 13 LYS 14 THR 15 ALA 16 THR 17 VAL 18 ALA 19 ARG 20 ASP 21 ARG 22 LEU 23 GLN 24 ILE 25 ILE 26 ILE 27 ALA 28 GLN 29 GLU 30 ARG 31 ALA 32 GLN 33 GLU 34 GLY 35 GLN 36 THR 37 PRO 38 ASP 39 TYR 40 LEU 41 PRO 42 THR 43 LEU 44 ARG 45 LYS 46 ALA 47 LEU 48 MET 49 GLU 50 VAL 51 LEU 52 SER 53 LYS 54 TYR 55 VAL 56 ASN 57 VAL 58 SER 59 LEU 60 ASP 61 ASN 62 ILE 63 ARG 64 ILE 65 SER 66 GLN 67 GLU 68 LYS 69 GLN 70 ASP 71 GLY 72 MET 73 ASP 74 VAL 75 LEU 76 GLU 77 LEU 78 ASN 79 ILE 80 THR 81 LEU 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 _Gene_mnemonic $entity_1 'Neisseria gonorrhoeae' 485 Bacteria . Neisseria gonorrhoeae minE stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'recombinant technology' . Escherichia coli . PLASMID PET-30A stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '1.0 mM U-13C/15N MinE-wt, 95% H2O/5% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.0 mM '[U-13C; U-15N]' 'potassium phosphate' 25 mM 'natural abundance' EDTA 0.5 mM 'natural abundance' 'benzamidine chloride' 0.1 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '1.0 mM U-2H/15N MinE-wt-RDC, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.0 mM '[U-2H; U-15N]' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details '1.0 mM U-13C/15N MinE-d10, 95% H2O/5% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.0 mM '[U-13C; U-15N]' 'potassium phosphate' 25 mM 'natural abundance' EDTA 0.5 mM 'natural abundance' 'benzamidine chloride' 0.1 mM 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details '1.0 mM U-2H/15N MinE-d10-RDC, 1.0 mM U-2H/15N MinE-d10-CPMG, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.0 mM '[U-2H; U-15N]' $entity_1 1.0 mM '[U-2H; U-15N]' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name PIPP _Version . loop_ _Vendor _Address _Electronic_address Garrett . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name CS-ROSETTA _Version . loop_ _Vendor _Address _Electronic_address 'Shen, Vernon, Baker and Bax' . . stop_ loop_ _Task refinement 'structure calculation' stop_ _Details . save_ save_software_3 _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_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 500 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 600 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_CBCA(CO)NH_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HBHA(CBCACO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CBCACO)NH' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_3 save_ save_3D_HBHA(CBCACO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CBCACO)NH' _Sample_label $sample_3 save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_3 save_ save_3D_HNCACB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_3 save_ save_HSQC_IPAP_9 _Saveframe_category NMR_applied_experiment _Experiment_name 'HSQC IPAP' _Sample_label $sample_2 save_ save_HSQC_IPAP_10 _Saveframe_category NMR_applied_experiment _Experiment_name 'HSQC IPAP' _Sample_label $sample_2 save_ save_HSQC_IPAP_11 _Saveframe_category NMR_applied_experiment _Experiment_name 'HSQC IPAP' _Sample_label $sample_4 save_ save_HSQC_IPAP_12 _Saveframe_category NMR_applied_experiment _Experiment_name 'HSQC IPAP' _Sample_label $sample_4 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' 25 . mM pH 6.5 . pH pressure 1 . bar temperature 298 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 200 . mM pH 6.5 . pH pressure 1 . bar temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 0.000 internal indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 internal indirect . . . 0.10132912 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D CBCA(CO)NH' '3D HNCACB' '3D HNCO' '3D HBHA(CBCACO)NH' 'HSQC IPAP' stop_ loop_ _Sample_label $sample_1 $sample_3 $sample_2 $sample_4 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name 'entity_1, 1' _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 MET HA H 4.182 . . 2 1 1 MET C C 176.783 . . 3 1 1 MET CA C 55.093 . . 4 1 1 MET CB C 24.434 . . 5 2 2 SER H H 8.242 . . 6 2 2 SER CA C 57.687 . . 7 2 2 SER CB C 64.194 . . 8 2 2 SER N N 121.783 . . 9 3 3 LEU HA H 4.047 . . 10 3 3 LEU C C 178.842 . . 11 3 3 LEU CA C 57.686 . . 12 3 3 LEU CB C 42.140 . . 13 4 4 ILE H H 8.509 . . 14 4 4 ILE HA H 3.545 . . 15 4 4 ILE C C 177.368 . . 16 4 4 ILE CA C 65.617 . . 17 4 4 ILE CB C 37.511 . . 18 4 4 ILE N N 119.477 . . 19 5 5 GLU H H 7.807 . . 20 5 5 GLU HA H 3.862 . . 21 5 5 GLU C C 178.944 . . 22 5 5 GLU CA C 59.140 . . 23 5 5 GLU CB C 29.549 . . 24 5 5 GLU N N 119.071 . . 25 6 6 LEU H H 7.559 . . 26 6 6 LEU HA H 3.976 . . 27 6 6 LEU C C 178.561 . . 28 6 6 LEU CA C 57.473 . . 29 6 6 LEU CB C 42.467 . . 30 6 6 LEU N N 119.468 . . 31 7 7 LEU H H 8.027 . . 32 7 7 LEU HA H 3.848 . . 33 7 7 LEU C C 178.737 . . 34 7 7 LEU CA C 56.608 . . 35 7 7 LEU CB C 42.089 . . 36 7 7 LEU N N 116.907 . . 37 8 8 PHE H H 8.153 . . 38 8 8 PHE HA H 4.555 . . 39 8 8 PHE C C 177.272 . . 40 8 8 PHE CA C 58.170 . . 41 8 8 PHE CB C 39.291 . . 42 8 8 PHE N N 116.615 . . 43 9 9 GLY H H 7.923 . . 44 9 9 GLY C C 174.695 . . 45 9 9 GLY CA C 46.145 . . 46 9 9 GLY N N 108.306 . . 47 10 10 GLN H H 8.073 . . 48 10 10 GLN HA H 4.181 . . 49 10 10 GLN C C 176.557 . . 50 10 10 GLN CA C 56.162 . . 51 10 10 GLN CB C 29.003 . . 52 10 10 GLN N N 118.871 . . 53 11 11 MET H H 8.088 . . 54 11 11 MET HA H 4.119 . . 55 11 11 MET C C 176.901 . . 56 11 11 MET CA C 56.910 . . 57 11 11 MET CB C 32.702 . . 58 11 11 MET N N 121.502 . . 59 12 12 GLN H H 8.334 . . 60 12 12 GLN C C 176.391 . . 61 12 12 GLN CA C 56.171 . . 62 12 12 GLN CB C 29.288 . . 63 12 12 GLN N N 120.393 . . 64 13 13 LYS H H 8.307 . . 65 13 13 LYS HA H 4.207 . . 66 13 13 LYS C C 176.827 . . 67 13 13 LYS CA C 57.041 . . 68 13 13 LYS CB C 32.770 . . 69 13 13 LYS N N 121.812 . . 70 14 14 THR H H 7.940 . . 71 14 14 THR HA H 4.264 . . 72 14 14 THR C C 174.031 . . 73 14 14 THR CA C 61.576 . . 74 14 14 THR CB C 70.024 . . 75 14 14 THR N N 113.638 . . 76 15 15 ALA H H 8.265 . . 77 15 15 ALA HA H 4.293 . . 78 15 15 ALA C C 177.618 . . 79 15 15 ALA CA C 52.704 . . 80 15 15 ALA CB C 19.124 . . 81 15 15 ALA N N 125.816 . . 82 16 16 THR H H 8.070 . . 83 16 16 THR HA H 4.241 . . 84 16 16 THR C C 174.298 . . 85 16 16 THR CA C 61.899 . . 86 16 16 THR CB C 70.048 . . 87 16 16 THR N N 113.794 . . 88 17 17 VAL H H 8.087 . . 89 17 17 VAL HA H 4.012 . . 90 17 17 VAL C C 175.445 . . 91 17 17 VAL CA C 62.129 . . 92 17 17 VAL CB C 32.847 . . 93 17 17 VAL N N 122.576 . . 94 18 18 ALA H H 8.460 . . 95 18 18 ALA HA H 4.258 . . 96 18 18 ALA C C 176.898 . . 97 18 18 ALA CA C 52.613 . . 98 18 18 ALA CB C 19.530 . . 99 18 18 ALA N N 129.145 . . 100 19 19 ARG H H 8.014 . . 101 19 19 ARG HA H 4.368 . . 102 19 19 ARG C C 174.505 . . 103 19 19 ARG CA C 54.550 . . 104 19 19 ARG CB C 32.572 . . 105 19 19 ARG N N 120.246 . . 106 20 20 ASP H H 8.342 . . 107 20 20 ASP HA H 5.019 . . 108 20 20 ASP C C 175.784 . . 109 20 20 ASP CA C 54.448 . . 110 20 20 ASP CB C 41.647 . . 111 20 20 ASP N N 121.700 . . 112 21 21 ARG H H 8.789 . . 113 21 21 ARG HA H 5.097 . . 114 21 21 ARG C C 173.930 . . 115 21 21 ARG CA C 55.490 . . 116 21 21 ARG CB C 34.398 . . 117 21 21 ARG N N 120.184 . . 118 22 22 LEU H H 8.780 . . 119 22 22 LEU HA H 5.377 . . 120 22 22 LEU C C 174.929 . . 121 22 22 LEU CA C 53.597 . . 122 22 22 LEU CB C 47.327 . . 123 22 22 LEU N N 120.541 . . 124 23 23 GLN H H 9.441 . . 125 23 23 GLN HA H 5.204 . . 126 23 23 GLN C C 173.874 . . 127 23 23 GLN CA C 54.716 . . 128 23 23 GLN CB C 32.876 . . 129 23 23 GLN N N 126.070 . . 130 24 24 ILE H H 9.171 . . 131 24 24 ILE HA H 5.153 . . 132 24 24 ILE C C 174.057 . . 133 24 24 ILE CA C 59.954 . . 134 24 24 ILE CB C 41.214 . . 135 24 24 ILE N N 124.928 . . 136 25 25 ILE H H 9.574 . . 137 25 25 ILE HA H 4.988 . . 138 25 25 ILE C C 174.611 . . 139 25 25 ILE CA C 59.600 . . 140 25 25 ILE CB C 41.536 . . 141 25 25 ILE N N 127.918 . . 142 26 26 ILE H H 9.399 . . 143 26 26 ILE HA H 4.803 . . 144 26 26 ILE C C 173.241 . . 145 26 26 ILE CA C 60.353 . . 146 26 26 ILE CB C 40.186 . . 147 26 26 ILE N N 125.630 . . 148 27 27 ALA H H 9.494 . . 149 27 27 ALA HA H 5.487 . . 150 27 27 ALA C C 175.295 . . 151 27 27 ALA CA C 49.894 . . 152 27 27 ALA CB C 22.624 . . 153 27 27 ALA N N 129.167 . . 154 28 28 GLN H H 9.358 . . 155 28 28 GLN HA H 5.191 . . 156 28 28 GLN C C 173.605 . . 157 28 28 GLN CA C 54.617 . . 158 28 28 GLN CB C 34.104 . . 159 28 28 GLN N N 123.900 . . 160 29 29 GLU H H 8.933 . . 161 29 29 GLU HA H 4.967 . . 162 29 29 GLU C C 174.790 . . 163 29 29 GLU CA C 55.141 . . 164 29 29 GLU CB C 32.964 . . 165 29 29 GLU N N 129.266 . . 166 30 30 ARG H H 8.403 . . 167 30 30 ARG HA H 4.847 . . 168 30 30 ARG C C 175.730 . . 169 30 30 ARG CA C 54.073 . . 170 30 30 ARG CB C 33.722 . . 171 30 30 ARG N N 123.767 . . 172 31 31 ALA H H 8.788 . . 173 31 31 ALA HA H 4.135 . . 174 31 31 ALA C C 178.855 . . 175 31 31 ALA CA C 52.563 . . 176 31 31 ALA CB C 19.136 . . 177 31 31 ALA N N 126.710 . . 178 32 32 GLN H H 8.792 . . 179 32 32 GLN HA H 4.111 . . 180 32 32 GLN C C 176.583 . . 181 32 32 GLN CA C 57.381 . . 182 32 32 GLN CB C 29.390 . . 183 32 32 GLN N N 121.255 . . 184 33 33 GLU H H 8.753 . . 185 33 33 GLU HA H 4.160 . . 186 33 33 GLU C C 176.876 . . 187 33 33 GLU CA C 57.199 . . 188 33 33 GLU CB C 29.217 . . 189 33 33 GLU N N 118.955 . . 190 34 34 GLY H H 7.936 . . 191 34 34 GLY C C 174.346 . . 192 34 34 GLY CA C 45.417 . . 193 34 34 GLY N N 107.893 . . 194 35 35 GLN H H 8.324 . . 195 35 35 GLN HA H 4.354 . . 196 35 35 GLN C C 175.897 . . 197 35 35 GLN CA C 55.606 . . 198 35 35 GLN CB C 29.582 . . 199 35 35 GLN N N 116.859 . . 200 36 36 THR H H 8.036 . . 201 36 36 THR CA C 60.870 . . 202 36 36 THR CB C 69.652 . . 203 36 36 THR N N 119.108 . . 204 37 37 PRO HA H 4.081 . . 205 37 37 PRO C C 173.136 . . 206 37 37 PRO CA C 62.665 . . 207 37 37 PRO CB C 32.147 . . 208 38 38 ASP H H 7.886 . . 209 38 38 ASP HA H 4.324 . . 210 38 38 ASP C C 177.628 . . 211 38 38 ASP CA C 52.963 . . 212 38 38 ASP CB C 40.675 . . 213 38 38 ASP N N 116.393 . . 214 39 39 TYR H H 9.658 . . 215 39 39 TYR HA H 4.347 . . 216 39 39 TYR C C 176.693 . . 217 39 39 TYR CA C 60.026 . . 218 39 39 TYR CB C 39.217 . . 219 39 39 TYR N N 126.369 . . 220 40 40 LEU H H 8.572 . . 221 40 40 LEU CA C 61.151 . . 222 40 40 LEU CB C 38.489 . . 223 40 40 LEU N N 122.287 . . 224 41 41 PRO HA H 4.046 . . 225 41 41 PRO C C 179.933 . . 226 41 41 PRO CA C 66.666 . . 227 41 41 PRO CB C 31.050 . . 228 42 42 THR H H 7.370 . . 229 42 42 THR HA H 3.695 . . 230 42 42 THR C C 176.433 . . 231 42 42 THR CA C 66.300 . . 232 42 42 THR CB C 68.832 . . 233 42 42 THR N N 114.269 . . 234 43 43 LEU H H 8.359 . . 235 43 43 LEU HA H 3.769 . . 236 43 43 LEU C C 177.880 . . 237 43 43 LEU CA C 57.898 . . 238 43 43 LEU CB C 41.541 . . 239 43 43 LEU N N 121.617 . . 240 44 44 ARG H H 9.029 . . 241 44 44 ARG HA H 3.486 . . 242 44 44 ARG C C 177.072 . . 243 44 44 ARG CA C 60.447 . . 244 44 44 ARG CB C 30.240 . . 245 44 44 ARG N N 119.994 . . 246 45 45 LYS H H 7.334 . . 247 45 45 LYS HA H 3.842 . . 248 45 45 LYS C C 179.152 . . 249 45 45 LYS CA C 59.795 . . 250 45 45 LYS CB C 32.471 . . 251 45 45 LYS N N 117.404 . . 252 46 46 ALA H H 7.883 . . 253 46 46 ALA HA H 4.092 . . 254 46 46 ALA C C 180.706 . . 255 46 46 ALA CA C 54.696 . . 256 46 46 ALA CB C 19.075 . . 257 46 46 ALA N N 120.346 . . 258 47 47 LEU H H 8.741 . . 259 47 47 LEU HA H 3.905 . . 260 47 47 LEU C C 178.724 . . 261 47 47 LEU CA C 57.194 . . 262 47 47 LEU CB C 41.086 . . 263 47 47 LEU N N 118.068 . . 264 48 48 MET H H 8.116 . . 265 48 48 MET HA H 4.116 . . 266 48 48 MET C C 179.196 . . 267 48 48 MET CA C 58.194 . . 268 48 48 MET CB C 30.514 . . 269 48 48 MET N N 117.872 . . 270 49 49 GLU H H 7.557 . . 271 49 49 GLU HA H 4.013 . . 272 49 49 GLU C C 179.083 . . 273 49 49 GLU CA C 59.606 . . 274 49 49 GLU CB C 29.354 . . 275 49 49 GLU N N 119.623 . . 276 50 50 VAL H H 7.910 . . 277 50 50 VAL HA H 3.762 . . 278 50 50 VAL C C 178.125 . . 279 50 50 VAL CA C 66.280 . . 280 50 50 VAL CB C 32.073 . . 281 50 50 VAL N N 119.490 . . 282 51 51 LEU H H 8.668 . . 283 51 51 LEU HA H 3.800 . . 284 51 51 LEU C C 178.845 . . 285 51 51 LEU CA C 58.116 . . 286 51 51 LEU CB C 41.397 . . 287 51 51 LEU N N 119.663 . . 288 52 52 SER H H 7.915 . . 289 52 52 SER HA H 4.276 . . 290 52 52 SER C C 176.032 . . 291 52 52 SER CA C 61.435 . . 292 52 52 SER CB C 63.231 . . 293 52 52 SER N N 113.262 . . 294 53 53 LYS H H 7.693 . . 295 53 53 LYS HA H 3.920 . . 296 53 53 LYS C C 178.027 . . 297 53 53 LYS CA C 58.611 . . 298 53 53 LYS CB C 33.172 . . 299 53 53 LYS N N 118.754 . . 300 54 54 TYR H H 8.053 . . 301 54 54 TYR HA H 4.621 . . 302 54 54 TYR C C 175.911 . . 303 54 54 TYR CA C 59.829 . . 304 54 54 TYR CB C 39.828 . . 305 54 54 TYR N N 113.365 . . 306 55 55 VAL H H 7.865 . . 307 55 55 VAL HA H 4.028 . . 308 55 55 VAL C C 174.721 . . 309 55 55 VAL CA C 61.649 . . 310 55 55 VAL CB C 32.195 . . 311 55 55 VAL N N 117.865 . . 312 56 56 ASN H H 7.774 . . 313 56 56 ASN HA H 4.510 . . 314 56 56 ASN C C 174.243 . . 315 56 56 ASN CA C 53.904 . . 316 56 56 ASN CB C 37.159 . . 317 56 56 ASN N N 117.890 . . 318 57 57 VAL H H 7.352 . . 319 57 57 VAL HA H 4.348 . . 320 57 57 VAL C C 174.746 . . 321 57 57 VAL CA C 60.058 . . 322 57 57 VAL CB C 34.115 . . 323 57 57 VAL N N 114.910 . . 324 58 58 SER H H 8.535 . . 325 58 58 SER HA H 4.428 . . 326 58 58 SER C C 175.983 . . 327 58 58 SER CA C 57.454 . . 328 58 58 SER CB C 64.469 . . 329 58 58 SER N N 119.253 . . 330 59 59 LEU H H 8.603 . . 331 59 59 LEU HA H 3.905 . . 332 59 59 LEU C C 178.491 . . 333 59 59 LEU CA C 57.819 . . 334 59 59 LEU CB C 41.431 . . 335 59 59 LEU N N 123.325 . . 336 60 60 ASP H H 8.259 . . 337 60 60 ASP HA H 4.344 . . 338 60 60 ASP C C 176.644 . . 339 60 60 ASP CA C 55.799 . . 340 60 60 ASP CB C 40.068 . . 341 60 60 ASP N N 115.730 . . 342 61 61 ASN H H 7.957 . . 343 61 61 ASN HA H 4.799 . . 344 61 61 ASN C C 173.605 . . 345 61 61 ASN CA C 53.490 . . 346 61 61 ASN CB C 39.835 . . 347 61 61 ASN N N 116.605 . . 348 62 62 ILE H H 7.457 . . 349 62 62 ILE HA H 4.372 . . 350 62 62 ILE C C 174.393 . . 351 62 62 ILE CA C 61.525 . . 352 62 62 ILE CB C 39.665 . . 353 62 62 ILE N N 119.586 . . 354 63 63 ARG H H 8.667 . . 355 63 63 ARG HA H 4.645 . . 356 63 63 ARG C C 175.737 . . 357 63 63 ARG CA C 55.266 . . 358 63 63 ARG CB C 31.914 . . 359 63 63 ARG N N 127.874 . . 360 64 64 ILE H H 8.857 . . 361 64 64 ILE HA H 5.047 . . 362 64 64 ILE C C 175.704 . . 363 64 64 ILE CA C 60.704 . . 364 64 64 ILE CB C 40.541 . . 365 64 64 ILE N N 127.075 . . 366 65 65 SER H H 9.175 . . 367 65 65 SER HA H 3.748 . . 368 65 65 SER C C 171.935 . . 369 65 65 SER CA C 57.309 . . 370 65 65 SER CB C 65.603 . . 371 65 65 SER N N 123.161 . . 372 66 66 GLN H H 8.604 . . 373 66 66 GLN HA H 5.418 . . 374 66 66 GLN C C 174.692 . . 375 66 66 GLN CA C 54.940 . . 376 66 66 GLN CB C 32.309 . . 377 66 66 GLN N N 122.782 . . 378 67 67 GLU H H 8.932 . . 379 67 67 GLU C C 174.500 . . 380 67 67 GLU CA C 55.174 . . 381 67 67 GLU CB C 34.976 . . 382 67 67 GLU N N 122.958 . . 383 68 68 LYS H H 8.670 . . 384 68 68 LYS C C 175.544 . . 385 68 68 LYS CA C 55.743 . . 386 68 68 LYS CB C 35.823 . . 387 68 68 LYS N N 123.481 . . 388 69 69 GLN H H 8.758 . . 389 69 69 GLN HA H 4.334 . . 390 69 69 GLN C C 174.504 . . 391 69 69 GLN CA C 55.636 . . 392 69 69 GLN CB C 31.811 . . 393 69 69 GLN N N 124.507 . . 394 70 70 ASP H H 9.149 . . 395 70 70 ASP HA H 4.144 . . 396 70 70 ASP C C 175.863 . . 397 70 70 ASP CA C 56.449 . . 398 70 70 ASP CB C 39.960 . . 399 70 70 ASP N N 125.533 . . 400 71 71 GLY H H 8.608 . . 401 71 71 GLY C C 173.405 . . 402 71 71 GLY CA C 46.031 . . 403 71 71 GLY N N 110.171 . . 404 72 72 MET H H 8.248 . . 405 72 72 MET C C 173.590 . . 406 72 72 MET CA C 54.780 . . 407 72 72 MET CB C 35.489 . . 408 72 72 MET N N 121.228 . . 409 73 73 ASP H H 8.757 . . 410 73 73 ASP HA H 5.223 . . 411 73 73 ASP C C 174.694 . . 412 73 73 ASP CA C 53.667 . . 413 73 73 ASP CB C 45.585 . . 414 73 73 ASP N N 124.334 . . 415 74 74 VAL H H 8.862 . . 416 74 74 VAL HA H 5.041 . . 417 74 74 VAL C C 173.602 . . 418 74 74 VAL CA C 60.943 . . 419 74 74 VAL CB C 35.708 . . 420 74 74 VAL N N 120.593 . . 421 75 75 LEU H H 9.365 . . 422 75 75 LEU HA H 5.012 . . 423 75 75 LEU C C 173.361 . . 424 75 75 LEU CA C 53.424 . . 425 75 75 LEU CB C 46.409 . . 426 75 75 LEU N N 129.872 . . 427 76 76 GLU H H 9.306 . . 428 76 76 GLU HA H 5.229 . . 429 76 76 GLU C C 174.489 . . 430 76 76 GLU CA C 54.341 . . 431 76 76 GLU CB C 33.189 . . 432 76 76 GLU N N 126.659 . . 433 77 77 LEU H H 9.636 . . 434 77 77 LEU HA H 5.169 . . 435 77 77 LEU C C 175.153 . . 436 77 77 LEU CA C 54.156 . . 437 77 77 LEU CB C 43.948 . . 438 77 77 LEU N N 126.185 . . 439 78 78 ASN H H 9.079 . . 440 78 78 ASN HA H 5.175 . . 441 78 78 ASN C C 174.283 . . 442 78 78 ASN CA C 53.472 . . 443 78 78 ASN CB C 42.056 . . 444 78 78 ASN N N 122.151 . . 445 79 79 ILE H H 9.115 . . 446 79 79 ILE HA H 4.697 . . 447 79 79 ILE C C 175.047 . . 448 79 79 ILE CA C 60.645 . . 449 79 79 ILE CB C 41.213 . . 450 79 79 ILE N N 125.673 . . 451 80 80 THR H H 8.674 . . 452 80 80 THR HA H 4.022 . . 453 80 80 THR C C 173.721 . . 454 80 80 THR CA C 62.693 . . 455 80 80 THR CB C 69.321 . . 456 80 80 THR N N 124.948 . . 457 81 81 LEU H H 8.052 . . 458 81 81 LEU CA C 53.028 . . 459 81 81 LEU CB C 40.230 . . 460 81 81 LEU N N 127.843 . . stop_ save_