data_50008 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; ngMinE/I24N ; _BMRB_accession_number 50008 _BMRB_flat_file_name bmr50008.str _Entry_type original _Submission_date 2019-09-03 _Accession_date 2019-09-03 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'chemical shift assignments' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Cai Mengli . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 79 "13C chemical shifts" 240 "15N chemical shifts" 79 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-09-21 original BMRB . stop_ _Original_release_date 2019-09-04 save_ ############################# # Citation for this entry # ############################# save_citations_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Probing transient excited states of the bacterial cell division regulator MinE by relaxation dispersion NMR spectroscopy ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31772021 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Cai Mengli . . 2 Huang Ying . . 3 Shen Yang . . 4 Li Min . . 5 Mizuuchi Michiyo . . 6 Ghirlando Rodolfo . . 7 Mizuuchi Kiyoshi . . 8 Clore 'G Marius' M. . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U.S.A.' _Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Journal_volume 116 _Journal_issue 51 _Journal_ISSN 1091-6490 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 25446 _Page_last 25455 _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly_1 _Saveframe_category molecular_system _Mol_system_name ngMinE/I24N _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label ngMinE/I24N $entity_1 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_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 89 _Mol_residue_sequence ; MSLIELLFGQMQKTATVARD RLQNIIAQERAQEGQTPDYL PTLRKALMEVLSKYVNVSLD NIRISQEKQDGMDVLELNIT LPEQKKVLE ; 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 ASN 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 82 PRO 83 GLU 84 GLN 85 LYS 86 LYS 87 VAL 88 LEU 89 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source_1 _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 'Neisseria gonorrheae' 485 Bacteria . Neisseria gonorrheae stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'recombinant technology' . . . . plasmid pet11a 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 $entity_1 0.3 mM '[U-98% 13C; U-98% 15N]' Kpi 25 mM 'natural abundance' EDTA 0.5 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name PIPP _Version . loop_ _Vendor _Address _Electronic_address Garrett . . stop_ loop_ _Task 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details bruker500 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_HBHA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)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_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.025 . M pH 6.5 . pH pressure 1 . atm temperature 298k . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Saveframe_category chemical_shift_reference _Details stardard 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 DSS P 31 'methyl protons' ppm 0.00 na indirect . . . 0.404808636 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 '2D 1H-15N HSQC' '3D HNCO' '3D HNCACB' '3D HBHA(CO)NH' '3D CBCA(CO)NH' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name ngMinE/I24N _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 C C 176.071 0.2 . 2 1 1 MET CA C 55.689 0.2 . 3 1 1 MET CB C 29.738 0.2 . 4 2 2 SER H H 8.306 0.03 . 5 2 2 SER CA C 60.059 0.2 . 6 2 2 SER N N 117.865 0.1 . 7 3 3 LEU C C 174.481 0.2 . 8 3 3 LEU CA C 56.104 0.2 . 9 3 3 LEU CB C 41.904 0.2 . 10 4 4 ILE H H 8.134 0.03 . 11 4 4 ILE C C 175.627 0.2 . 12 4 4 ILE CA C 62.239 0.2 . 13 4 4 ILE CB C 38.355 0.2 . 14 4 4 ILE N N 120.592 0.1 . 15 5 5 GLU H H 8.192 0.03 . 16 5 5 GLU C C 175.140 0.2 . 17 5 5 GLU CA C 57.356 0.2 . 18 5 5 GLU CB C 30.200 0.2 . 19 5 5 GLU N N 123.600 0.1 . 20 6 6 LEU H H 8.051 0.03 . 21 6 6 LEU C C 174.471 0.2 . 22 6 6 LEU CA C 55.800 0.2 . 23 6 6 LEU CB C 42.283 0.2 . 24 6 6 LEU N N 122.530 0.1 . 25 7 7 LEU H H 8.069 0.03 . 26 7 7 LEU C C 174.626 0.2 . 27 7 7 LEU CA C 55.688 0.2 . 28 7 7 LEU CB C 42.370 0.2 . 29 7 7 LEU N N 120.981 0.1 . 30 8 8 PHE H H 8.124 0.03 . 31 8 8 PHE C C 175.468 0.2 . 32 8 8 PHE CA C 58.222 0.2 . 33 8 8 PHE CB C 39.389 0.2 . 34 8 8 PHE N N 119.072 0.1 . 35 9 9 GLY H H 8.242 0.03 . 36 9 9 GLY C C 177.785 0.2 . 37 9 9 GLY CA C 45.540 0.2 . 38 9 9 GLY N N 109.713 0.1 . 39 10 10 GLN H H 8.148 0.03 . 40 10 10 GLN C C 176.035 0.2 . 41 10 10 GLN CA C 55.976 0.2 . 42 10 10 GLN CB C 29.546 0.2 . 43 10 10 GLN N N 119.499 0.1 . 44 11 11 MET H H 8.466 0.03 . 45 11 11 MET CA C 56.800 0.2 . 46 11 11 MET CB C 30.204 0.2 . 47 11 11 MET N N 122.526 0.1 . 48 13 13 LYS C C 175.307 0.2 . 49 13 13 LYS CA C 56.723 0.2 . 50 13 13 LYS CB C 32.952 0.2 . 51 14 14 THR H H 8.121 0.03 . 52 14 14 THR C C 177.867 0.2 . 53 14 14 THR CA C 62.098 0.2 . 54 14 14 THR CB C 69.920 0.2 . 55 14 14 THR N N 115.454 0.1 . 56 15 15 ALA H H 8.360 0.03 . 57 15 15 ALA C C 174.268 0.2 . 58 15 15 ALA CA C 52.619 0.2 . 59 15 15 ALA CB C 19.371 0.2 . 60 15 15 ALA N N 126.636 0.1 . 61 16 16 THR H H 8.183 0.03 . 62 16 16 THR C C 177.556 0.2 . 63 16 16 THR CA C 62.328 0.2 . 64 16 16 THR CB C 69.857 0.2 . 65 16 16 THR N N 114.565 0.1 . 66 17 17 VAL H H 8.120 0.03 . 67 17 17 VAL C C 176.306 0.2 . 68 17 17 VAL CA C 62.361 0.2 . 69 17 17 VAL CB C 32.842 0.2 . 70 17 17 VAL N N 122.762 0.1 . 71 18 18 ALA H H 8.384 0.03 . 72 18 18 ALA C C 174.065 0.2 . 73 18 18 ALA CA C 52.899 0.2 . 74 18 18 ALA CB C 19.091 0.2 . 75 18 18 ALA N N 127.872 0.1 . 76 19 19 ARG H H 8.228 0.03 . 77 19 19 ARG C C 175.679 0.2 . 78 19 19 ARG CA C 56.515 0.2 . 79 19 19 ARG CB C 30.698 0.2 . 80 19 19 ARG N N 119.434 0.1 . 81 20 20 ASP H H 8.302 0.03 . 82 20 20 ASP C C 175.487 0.2 . 83 20 20 ASP CA C 54.582 0.2 . 84 20 20 ASP CB C 41.097 0.2 . 85 20 20 ASP N N 120.349 0.1 . 86 21 21 ARG H H 8.175 0.03 . 87 21 21 ARG C C 175.346 0.2 . 88 21 21 ARG CA C 56.768 0.2 . 89 21 21 ARG CB C 30.471 0.2 . 90 21 21 ARG N N 120.614 0.1 . 91 22 22 LEU H H 8.168 0.03 . 92 22 22 LEU C C 174.492 0.2 . 93 22 22 LEU CA C 55.947 0.2 . 94 22 22 LEU CB C 41.905 0.2 . 95 22 22 LEU N N 121.706 0.1 . 96 23 23 GLN H H 8.227 0.03 . 97 23 23 GLN C C 176.048 0.2 . 98 23 23 GLN CA C 56.448 0.2 . 99 23 23 GLN CB C 29.235 0.2 . 100 23 23 GLN N N 119.209 0.1 . 101 24 24 ASN H H 8.323 0.03 . 102 24 24 ASN C C 176.815 0.2 . 103 24 24 ASN CA C 53.742 0.2 . 104 24 24 ASN CB C 38.764 0.2 . 105 24 24 ASN N N 119.149 0.1 . 106 25 25 ILE H H 8.012 0.03 . 107 25 25 ILE C C 175.531 0.2 . 108 25 25 ILE CA C 62.092 0.2 . 109 25 25 ILE CB C 38.629 0.2 . 110 25 25 ILE N N 121.095 0.1 . 111 26 26 ILE H H 8.136 0.03 . 112 26 26 ILE C C 175.796 0.2 . 113 26 26 ILE CA C 61.738 0.2 . 114 26 26 ILE CB C 38.412 0.2 . 115 26 26 ILE N N 124.169 0.1 . 116 27 27 ALA H H 8.241 0.03 . 117 27 27 ALA C C 174.222 0.2 . 118 27 27 ALA CA C 52.909 0.2 . 119 27 27 ALA CB C 19.091 0.2 . 120 27 27 ALA N N 126.975 0.1 . 121 28 28 GLN H H 8.302 0.03 . 122 28 28 GLN C C 178.125 0.2 . 123 28 28 GLN CA C 55.994 0.2 . 124 28 28 GLN CB C 30.294 0.2 . 125 28 28 GLN N N 119.225 0.1 . 126 29 29 GLU H H 8.081 0.03 . 127 29 29 GLU CA C 56.428 0.2 . 128 29 29 GLU CB C 30.101 0.2 . 129 29 29 GLU N N 126.689 0.1 . 130 30 30 ARG H H 8.360 0.03 . 131 30 30 ARG C C 175.810 0.2 . 132 30 30 ARG CA C 56.275 0.2 . 133 30 30 ARG CB C 30.699 0.2 . 134 30 30 ARG N N 122.050 0.1 . 135 31 31 ALA H H 8.259 0.03 . 136 31 31 ALA C C 174.337 0.2 . 137 31 31 ALA CA C 52.714 0.2 . 138 31 31 ALA CB C 19.159 0.2 . 139 31 31 ALA N N 124.861 0.1 . 140 32 32 GLN H H 8.384 0.03 . 141 32 32 GLN C C 175.972 0.2 . 142 32 32 GLN CA C 56.026 0.2 . 143 32 32 GLN CB C 29.497 0.2 . 144 32 32 GLN N N 119.661 0.1 . 145 33 33 GLU H H 8.407 0.03 . 146 33 33 GLU C C 175.037 0.2 . 147 33 33 GLU CA C 57.020 0.2 . 148 33 33 GLU CB C 30.159 0.2 . 149 33 33 GLU N N 122.006 0.1 . 150 34 34 GLY H H 8.479 0.03 . 151 34 34 GLY CA C 45.334 0.2 . 152 34 34 GLY N N 110.080 0.1 . 153 35 35 GLN H H 8.209 0.03 . 154 35 35 GLN C C 177.218 0.2 . 155 35 35 GLN CA C 55.771 0.2 . 156 35 35 GLN CB C 29.915 0.2 . 157 35 35 GLN N N 119.510 0.1 . 158 36 36 THR H H 7.973 0.03 . 159 36 36 THR CA C 58.684 0.2 . 160 36 36 THR CB C 70.633 0.2 . 161 36 36 THR N N 115.392 0.1 . 162 37 37 PRO C C 175.033 0.2 . 163 37 37 PRO CA C 63.329 0.2 . 164 37 37 PRO CB C 32.124 0.2 . 165 38 38 ASP H H 8.497 0.03 . 166 38 38 ASP C C 175.388 0.2 . 167 38 38 ASP CA C 54.798 0.2 . 168 38 38 ASP CB C 40.760 0.2 . 169 38 38 ASP N N 121.059 0.1 . 170 39 39 TYR H H 7.571 0.03 . 171 39 39 TYR CA C 58.165 0.2 . 172 39 39 TYR CB C 38.551 0.2 . 173 39 39 TYR N N 118.985 0.1 . 174 40 40 LEU H H 8.004 0.03 . 175 40 40 LEU CA C 59.387 0.2 . 176 40 40 LEU CB C 38.961 0.2 . 177 40 40 LEU N N 123.118 0.1 . 178 41 41 PRO C C 172.399 0.2 . 179 41 41 PRO CA C 66.597 0.2 . 180 41 41 PRO CB C 31.144 0.2 . 181 42 42 THR H H 7.412 0.03 . 182 42 42 THR C C 175.912 0.2 . 183 42 42 THR CA C 66.093 0.2 . 184 42 42 THR CB C 68.665 0.2 . 185 42 42 THR N N 113.873 0.1 . 186 43 43 LEU H H 8.109 0.03 . 187 43 43 LEU C C 174.244 0.2 . 188 43 43 LEU CA C 58.045 0.2 . 189 43 43 LEU CB C 41.557 0.2 . 190 43 43 LEU N N 124.138 0.1 . 191 44 44 ARG H H 8.583 0.03 . 192 44 44 ARG C C 174.556 0.2 . 193 44 44 ARG CA C 60.956 0.2 . 194 44 44 ARG CB C 30.546 0.2 . 195 44 44 ARG N N 118.101 0.1 . 196 45 45 LYS H H 7.439 0.03 . 197 45 45 LYS C C 173.665 0.2 . 198 45 45 LYS CA C 59.903 0.2 . 199 45 45 LYS CB C 32.563 0.2 . 200 45 45 LYS N N 117.434 0.1 . 201 46 46 ALA H H 7.971 0.03 . 202 46 46 ALA C C 171.081 0.2 . 203 46 46 ALA CA C 55.053 0.2 . 204 46 46 ALA CB C 18.477 0.2 . 205 46 46 ALA N N 122.174 0.1 . 206 47 47 LEU H H 8.491 0.03 . 207 47 47 LEU C C 173.460 0.2 . 208 47 47 LEU CA C 57.794 0.2 . 209 47 47 LEU CB C 41.981 0.2 . 210 47 47 LEU N N 117.397 0.1 . 211 48 48 MET H H 8.107 0.03 . 212 48 48 MET C C 173.736 0.2 . 213 48 48 MET CA C 59.220 0.2 . 214 48 48 MET CB C 32.272 0.2 . 215 48 48 MET N N 118.374 0.1 . 216 49 49 GLU H H 8.061 0.03 . 217 49 49 GLU C C 172.881 0.2 . 218 49 49 GLU CA C 59.840 0.2 . 219 49 49 GLU CB C 29.556 0.2 . 220 49 49 GLU N N 119.371 0.1 . 221 50 50 VAL H H 7.562 0.03 . 222 50 50 VAL CA C 66.041 0.2 . 223 50 50 VAL CB C 32.122 0.2 . 224 50 50 VAL N N 118.190 0.1 . 225 51 51 LEU H H 8.322 0.03 . 226 51 51 LEU C C 173.352 0.2 . 227 51 51 LEU CA C 58.479 0.2 . 228 51 51 LEU CB C 42.178 0.2 . 229 51 51 LEU N N 118.892 0.1 . 230 52 52 SER H H 8.213 0.03 . 231 52 52 SER C C 176.498 0.2 . 232 52 52 SER CA C 61.193 0.2 . 233 52 52 SER CB C 63.456 0.2 . 234 52 52 SER N N 112.228 0.1 . 235 53 53 LYS H H 7.320 0.03 . 236 53 53 LYS C C 175.036 0.2 . 237 53 53 LYS CA C 57.767 0.2 . 238 53 53 LYS CB C 32.355 0.2 . 239 53 53 LYS N N 119.412 0.1 . 240 54 54 TYR H H 8.039 0.03 . 241 54 54 TYR C C 176.321 0.2 . 242 54 54 TYR CA C 60.156 0.2 . 243 54 54 TYR CB C 41.230 0.2 . 244 54 54 TYR N N 115.826 0.1 . 245 55 55 VAL H H 8.236 0.03 . 246 55 55 VAL CA C 60.218 0.2 . 247 55 55 VAL CB C 34.368 0.2 . 248 55 55 VAL N N 114.094 0.1 . 249 56 56 ASN CA C 53.381 0.2 . 250 56 56 ASN CB C 37.594 0.2 . 251 57 57 VAL H H 7.752 0.03 . 252 57 57 VAL C C 177.815 0.2 . 253 57 57 VAL CA C 59.872 0.2 . 254 57 57 VAL CB C 35.067 0.2 . 255 57 57 VAL N N 116.319 0.1 . 256 58 58 SER H H 8.523 0.03 . 257 58 58 SER C C 176.484 0.2 . 258 58 58 SER CA C 56.916 0.2 . 259 58 58 SER CB C 65.154 0.2 . 260 58 58 SER N N 118.196 0.1 . 261 59 59 LEU H H 8.667 0.03 . 262 59 59 LEU C C 173.632 0.2 . 263 59 59 LEU CA C 57.492 0.2 . 264 59 59 LEU CB C 41.762 0.2 . 265 59 59 LEU N N 123.437 0.1 . 266 60 60 ASP H H 8.106 0.03 . 267 60 60 ASP C C 175.464 0.2 . 268 60 60 ASP CA C 55.832 0.2 . 269 60 60 ASP CB C 40.453 0.2 . 270 60 60 ASP N N 114.890 0.1 . 271 61 61 ASN H H 7.888 0.03 . 272 61 61 ASN C C 178.359 0.2 . 273 61 61 ASN CA C 54.421 0.2 . 274 61 61 ASN CB C 39.675 0.2 . 275 61 61 ASN N N 116.047 0.1 . 276 62 62 ILE H H 7.609 0.03 . 277 62 62 ILE C C 178.034 0.2 . 278 62 62 ILE CA C 61.166 0.2 . 279 62 62 ILE CB C 39.233 0.2 . 280 62 62 ILE N N 119.486 0.1 . 281 63 63 ARG H H 8.773 0.03 . 282 63 63 ARG C C 177.012 0.2 . 283 63 63 ARG CA C 55.484 0.2 . 284 63 63 ARG CB C 32.224 0.2 . 285 63 63 ARG N N 128.100 0.1 . 286 64 64 ILE H H 8.614 0.03 . 287 64 64 ILE C C 177.574 0.2 . 288 64 64 ILE CA C 60.206 0.2 . 289 64 64 ILE CB C 40.975 0.2 . 290 64 64 ILE N N 123.595 0.1 . 291 65 65 SER H H 9.108 0.03 . 292 65 65 SER C C 179.905 0.2 . 293 65 65 SER CA C 56.975 0.2 . 294 65 65 SER CB C 65.427 0.2 . 295 65 65 SER N N 122.138 0.1 . 296 66 66 GLN H H 8.583 0.03 . 297 66 66 GLN C C 177.440 0.2 . 298 66 66 GLN CA C 55.177 0.2 . 299 66 66 GLN CB C 31.330 0.2 . 300 66 66 GLN N N 123.236 0.1 . 301 67 67 GLU H H 8.860 0.03 . 302 67 67 GLU C C 177.020 0.2 . 303 67 67 GLU CA C 54.575 0.2 . 304 67 67 GLU CB C 33.667 0.2 . 305 67 67 GLU N N 124.018 0.1 . 306 68 68 LYS H H 8.716 0.03 . 307 68 68 LYS C C 175.485 0.2 . 308 68 68 LYS CA C 55.191 0.2 . 309 68 68 LYS CB C 34.269 0.2 . 310 68 68 LYS N N 123.038 0.1 . 311 69 69 GLN H H 8.882 0.03 . 312 69 69 GLN C C 176.700 0.2 . 313 69 69 GLN CA C 54.968 0.2 . 314 69 69 GLN CB C 31.123 0.2 . 315 69 69 GLN N N 123.758 0.1 . 316 70 70 ASP H H 9.258 0.03 . 317 70 70 ASP C C 176.356 0.2 . 318 70 70 ASP CA C 55.537 0.2 . 319 70 70 ASP CB C 40.022 0.2 . 320 70 70 ASP N N 126.204 0.1 . 321 71 71 GLY H H 8.559 0.03 . 322 71 71 GLY C C 178.251 0.2 . 323 71 71 GLY CA C 45.548 0.2 . 324 71 71 GLY N N 104.694 0.1 . 325 72 72 MET H H 7.907 0.03 . 326 72 72 MET C C 177.086 0.2 . 327 72 72 MET CA C 53.962 0.2 . 328 72 72 MET CB C 34.436 0.2 . 329 72 72 MET N N 119.707 0.1 . 330 73 73 ASP H H 8.835 0.03 . 331 73 73 ASP C C 177.527 0.2 . 332 73 73 ASP CA C 55.337 0.2 . 333 73 73 ASP CB C 42.621 0.2 . 334 73 73 ASP N N 122.543 0.1 . 335 74 74 VAL H H 8.697 0.03 . 336 74 74 VAL C C 176.854 0.2 . 337 74 74 VAL CA C 60.630 0.2 . 338 74 74 VAL CB C 35.267 0.2 . 339 74 74 VAL N N 121.219 0.1 . 340 75 75 LEU H H 9.168 0.03 . 341 75 75 LEU C C 177.427 0.2 . 342 75 75 LEU CA C 53.615 0.2 . 343 75 75 LEU CB C 44.784 0.2 . 344 75 75 LEU N N 127.052 0.1 . 345 76 76 GLU H H 8.966 0.03 . 346 76 76 GLU C C 177.041 0.2 . 347 76 76 GLU CA C 54.752 0.2 . 348 76 76 GLU CB C 31.594 0.2 . 349 76 76 GLU N N 124.984 0.1 . 350 77 77 LEU H H 9.122 0.03 . 351 77 77 LEU CA C 54.295 0.2 . 352 77 77 LEU CB C 44.663 0.2 . 353 77 77 LEU N N 125.011 0.1 . 354 78 78 ASN H H 9.017 0.03 . 355 78 78 ASN C C 178.160 0.2 . 356 78 78 ASN CA C 52.798 0.2 . 357 78 78 ASN CB C 42.413 0.2 . 358 78 78 ASN N N 122.748 0.1 . 359 79 79 ILE H H 9.231 0.03 . 360 79 79 ILE C C 177.505 0.2 . 361 79 79 ILE CA C 60.140 0.2 . 362 79 79 ILE CB C 41.881 0.2 . 363 79 79 ILE N N 125.704 0.1 . 364 80 80 THR H H 8.634 0.03 . 365 80 80 THR C C 178.532 0.2 . 366 80 80 THR CA C 62.503 0.2 . 367 80 80 THR CB C 69.823 0.2 . 368 80 80 THR N N 123.348 0.1 . 369 81 81 LEU H H 8.669 0.03 . 370 81 81 LEU CA C 52.227 0.2 . 371 81 81 LEU CB C 41.897 0.2 . 372 81 81 LEU N N 126.300 0.1 . 373 82 82 PRO CA C 62.819 0.2 . 374 82 82 PRO CB C 32.242 0.2 . 375 83 83 GLU H H 8.416 0.03 . 376 83 83 GLU C C 175.306 0.2 . 377 83 83 GLU CA C 56.842 0.2 . 378 83 83 GLU CB C 30.363 0.2 . 379 83 83 GLU N N 121.335 0.1 . 380 84 84 GLN H H 8.638 0.03 . 381 84 84 GLN C C 176.148 0.2 . 382 84 84 GLN CA C 55.885 0.2 . 383 84 84 GLN CB C 29.642 0.2 . 384 84 84 GLN N N 123.231 0.1 . 385 85 85 LYS H H 8.433 0.03 . 386 85 85 LYS C C 175.666 0.2 . 387 85 85 LYS CA C 56.356 0.2 . 388 85 85 LYS CB C 32.971 0.2 . 389 85 85 LYS N N 122.922 0.1 . 390 86 86 LYS H H 8.186 0.03 . 391 86 86 LYS CA C 56.321 0.2 . 392 86 86 LYS N N 122.360 0.1 . 393 87 87 VAL CA C 62.525 0.2 . 394 87 87 VAL CB C 32.678 0.2 . 395 88 88 LEU H H 8.323 0.03 . 396 88 88 LEU CA C 55.010 0.2 . 397 88 88 LEU CB C 42.364 0.2 . 398 88 88 LEU N N 126.195 0.1 . stop_ save_