data_30664 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR Structure Of The I24N-delta10-ngMinE Protein From Neisseria gonorrheae ; _BMRB_accession_number 30664 _BMRB_flat_file_name bmr30664.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" 87 "13C chemical shifts" 144 "15N chemical shifts" 46 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-07-05 original BMRB . stop_ _Original_release_date 2019-11-15 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution NMR Structure Of The I24N-delta10-ngMinE 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 Shen Y. . . 3 Clore M. . . 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 9963.371 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 85 _Mol_residue_sequence ; KQKTATVARDRLQIIIAQER AQEGQTPDYLPTLRKELMEV LSKYVNVSLDNIRISQEKQD GMDVLELNITLPEQKKVLEH HHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 11 LYS 2 12 GLN 3 13 LYS 4 14 THR 5 15 ALA 6 16 THR 7 17 VAL 8 18 ALA 9 19 ARG 10 20 ASP 11 21 ARG 12 22 LEU 13 23 GLN 14 24 ILE 15 25 ILE 16 26 ILE 17 27 ALA 18 28 GLN 19 29 GLU 20 30 ARG 21 31 ALA 22 32 GLN 23 33 GLU 24 34 GLY 25 35 GLN 26 36 THR 27 37 PRO 28 38 ASP 29 39 TYR 30 40 LEU 31 41 PRO 32 42 THR 33 43 LEU 34 44 ARG 35 45 LYS 36 46 GLU 37 47 LEU 38 48 MET 39 49 GLU 40 50 VAL 41 51 LEU 42 52 SER 43 53 LYS 44 54 TYR 45 55 VAL 46 56 ASN 47 57 VAL 48 58 SER 49 59 LEU 50 60 ASP 51 61 ASN 52 62 ILE 53 63 ARG 54 64 ILE 55 65 SER 56 66 GLN 57 67 GLU 58 68 LYS 59 69 GLN 60 70 ASP 61 71 GLY 62 72 MET 63 73 ASP 64 74 VAL 65 75 LEU 66 76 GLU 67 77 LEU 68 78 ASN 69 79 ILE 70 80 THR 71 81 LEU 72 82 PRO 73 83 GLU 74 84 GLN 75 85 LYS 76 86 LYS 77 87 VAL 78 88 LEU 79 89 GLU 80 90 HIS 81 91 HIS 82 92 HIS 83 93 HIS 84 94 HIS 85 95 HIS 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_name $entity_1 'recombinant technology' . Escherichia coli . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '1 mM U-13C/15N MinE-d30-I24N, 25 mM potassium phosphate, 0.5 mM EDTA, 0.1 mM benzamidine chloride, 95% H2O/5% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 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 mM 2H/15N MinE-d30-I24N-RDC, 1 mM 2H/15N MinE-d30-I24N-CPMG, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 mM '[U-2H; U-15N]' $entity_1 1 mM '[U-2H; U-15N]' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details '1 mM U-13C/15N MinE-d30, 25 mM potassium phosphate, 0.5 mM EDTA, 0.1 mM benzamidine chloride, 95% H2O/5% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 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 mM U-2H/15N MinE-d30-RDC, 1 mM U-2H/15N MinE-d30-CPMG, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 mM '[U-2H; U-15N]' $entity_1 1 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_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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_HBHA(CBCACO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CBCACO)NH' _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 32 22 GLN HA H 4.263 . . 2 32 22 GLN C C 175.709 . . 3 32 22 GLN CA C 55.938 . . 4 32 22 GLN CB C 29.324 . . 5 33 23 GLU H H 8.703 . . 6 33 23 GLU HA H 4.205 . . 7 33 23 GLU C C 177.024 . . 8 33 23 GLU CA C 57.089 . . 9 33 23 GLU CB C 30.189 . . 10 33 23 GLU N N 123.259 . . 11 34 24 GLY H H 8.553 . . 12 34 24 GLY C C 173.981 . . 13 34 24 GLY CA C 45.302 . . 14 34 24 GLY N N 110.355 . . 15 35 25 GLN H H 8.220 . . 16 35 25 GLN HA H 4.331 . . 17 35 25 GLN C C 176.031 . . 18 35 25 GLN CA C 55.594 . . 19 35 25 GLN CB C 29.764 . . 20 35 25 GLN N N 119.653 . . 21 36 26 THR H H 8.325 . . 22 36 26 THR CA C 60.049 . . 23 36 26 THR CB C 69.620 . . 24 36 26 THR N N 118.026 . . 25 37 27 PRO HA H 4.308 . . 26 37 27 PRO C C 177.103 . . 27 37 27 PRO CA C 63.296 . . 28 37 27 PRO CB C 32.151 . . 29 38 28 ASP H H 8.510 . . 30 38 28 ASP HA H 4.419 . . 31 38 28 ASP C C 176.714 . . 32 38 28 ASP CA C 54.765 . . 33 38 28 ASP CB C 40.742 . . 34 38 28 ASP N N 121.026 . . 35 39 29 TYR H H 7.545 . . 36 39 29 TYR CA C 58.121 . . 37 39 29 TYR N N 118.792 . . 38 41 31 PRO HA H 4.090 . . 39 41 31 PRO C C 179.689 . . 40 41 31 PRO CA C 66.455 . . 41 41 31 PRO CB C 31.170 . . 42 42 32 THR H H 7.411 . . 43 42 32 THR HA H 4.150 . . 44 42 32 THR C C 176.167 . . 45 42 32 THR CA C 66.004 . . 46 42 32 THR CB C 68.602 . . 47 42 32 THR N N 113.849 . . 48 43 33 LEU H H 8.112 . . 49 43 33 LEU HA H 3.549 . . 50 43 33 LEU C C 177.826 . . 51 43 33 LEU CA C 57.950 . . 52 43 33 LEU CB C 41.587 . . 53 43 33 LEU N N 124.147 . . 54 44 34 ARG H H 8.598 . . 55 44 34 ARG HA H 3.512 . . 56 44 34 ARG C C 177.504 . . 57 44 34 ARG CA C 61.006 . . 58 44 34 ARG CB C 30.611 . . 59 44 34 ARG N N 118.143 . . 60 45 35 LYS H H 7.425 . . 61 45 35 LYS HA H 3.856 . . 62 45 35 LYS C C 178.417 . . 63 45 35 LYS CA C 59.752 . . 64 45 35 LYS CB C 32.496 . . 65 45 35 LYS N N 117.405 . . 66 46 36 GLU H H 7.962 . . 67 46 36 GLU HA H 4.116 . . 68 46 36 GLU C C 181.057 . . 69 46 36 GLU CA C 54.971 . . 70 46 36 GLU CB C 18.412 . . 71 46 36 GLU N N 122.199 . . 72 47 37 LEU H H 8.505 . . 73 47 37 LEU HA H 3.885 . . 74 47 37 LEU C C 178.618 . . 75 47 37 LEU CA C 57.696 . . 76 47 37 LEU CB C 42.023 . . 77 47 37 LEU N N 117.454 . . 78 48 38 MET H H 8.112 . . 79 48 38 MET HA H 3.872 . . 80 48 38 MET C C 178.312 . . 81 48 38 MET CA C 59.143 . . 82 48 38 MET CB C 32.075 . . 83 48 38 MET N N 118.355 . . 84 49 39 GLU H H 8.050 . . 85 49 39 GLU HA H 3.897 . . 86 49 39 GLU C C 179.199 . . 87 49 39 GLU CA C 59.769 . . 88 49 39 GLU CB C 29.535 . . 89 49 39 GLU N N 119.327 . . 90 50 40 VAL H H 7.553 . . 91 50 40 VAL HA H 3.814 . . 92 50 40 VAL C C 177.903 . . 93 50 40 VAL CA C 65.898 . . 94 50 40 VAL CB C 31.941 . . 95 50 40 VAL N N 118.244 . . 96 51 41 LEU H H 8.338 . . 97 51 41 LEU HA H 3.909 . . 98 51 41 LEU C C 178.698 . . 99 51 41 LEU CA C 58.456 . . 100 51 41 LEU CB C 42.353 . . 101 51 41 LEU N N 118.850 . . 102 52 42 SER H H 8.216 . . 103 52 42 SER HA H 4.513 . . 104 52 42 SER C C 175.620 . . 105 52 42 SER CA C 61.085 . . 106 52 42 SER CB C 63.342 . . 107 52 42 SER N N 112.200 . . 108 53 43 LYS H H 7.315 . . 109 53 43 LYS HA H 3.938 . . 110 53 43 LYS C C 177.070 . . 111 53 43 LYS CA C 57.932 . . 112 53 43 LYS CB C 32.160 . . 113 53 43 LYS N N 119.411 . . 114 54 44 TYR H H 8.047 . . 115 54 44 TYR HA H 4.230 . . 116 54 44 TYR C C 175.800 . . 117 54 44 TYR CA C 60.094 . . 118 54 44 TYR CB C 41.213 . . 119 54 44 TYR N N 115.909 . . 120 55 45 VAL H H 8.246 . . 121 55 45 VAL HA H 4.226 . . 122 55 45 VAL C C 173.981 . . 123 55 45 VAL CA C 60.277 . . 124 55 45 VAL CB C 34.358 . . 125 55 45 VAL N N 114.131 . . 126 56 46 ASN H H 8.136 . . 127 56 46 ASN HA H 4.566 . . 128 56 46 ASN C C 174.314 . . 129 56 46 ASN CA C 53.349 . . 130 56 46 ASN CB C 37.586 . . 131 56 46 ASN N N 119.617 . . 132 57 47 VAL H H 7.749 . . 133 57 47 VAL HA H 4.445 . . 134 57 47 VAL C C 174.282 . . 135 57 47 VAL CA C 59.756 . . 136 57 47 VAL CB C 35.199 . . 137 57 47 VAL N N 116.177 . . 138 58 48 SER H H 8.528 . . 139 58 48 SER C C 175.558 . . 140 58 48 SER CA C 56.941 . . 141 58 48 SER CB C 65.160 . . 142 58 48 SER N N 118.138 . . 143 59 49 LEU H H 8.675 . . 144 59 49 LEU HA H 3.931 . . 145 59 49 LEU C C 178.482 . . 146 59 49 LEU CA C 58.127 . . 147 59 49 LEU CB C 41.802 . . 148 59 49 LEU N N 123.428 . . 149 60 50 ASP H H 8.108 . . 150 60 50 ASP HA H 4.306 . . 151 60 50 ASP C C 176.631 . . 152 60 50 ASP CA C 55.772 . . 153 60 50 ASP CB C 40.435 . . 154 60 50 ASP N N 114.924 . . 155 61 51 ASN H H 7.891 . . 156 61 51 ASN HA H 4.678 . . 157 61 51 ASN C C 173.714 . . 158 61 51 ASN CA C 54.403 . . 159 61 51 ASN CB C 39.581 . . 160 61 51 ASN N N 116.077 . . 161 62 52 ILE H H 7.614 . . 162 62 52 ILE HA H 4.410 . . 163 62 52 ILE C C 174.042 . . 164 62 52 ILE CA C 61.152 . . 165 62 52 ILE CB C 39.333 . . 166 62 52 ILE N N 119.533 . . 167 63 53 ARG H H 8.770 . . 168 63 53 ARG HA H 4.603 . . 169 63 53 ARG C C 175.099 . . 170 63 53 ARG CA C 55.285 . . 171 63 53 ARG CB C 32.156 . . 172 63 53 ARG N N 128.193 . . 173 64 54 ILE H H 8.603 . . 174 64 54 ILE HA H 5.079 . . 175 64 54 ILE C C 174.521 . . 176 64 54 ILE CA C 60.096 . . 177 64 54 ILE CB C 40.939 . . 178 64 54 ILE N N 123.639 . . 179 65 55 SER H H 9.117 . . 180 65 55 SER C C 172.159 . . 181 65 55 SER CA C 57.118 . . 182 65 55 SER CB C 65.390 . . 183 65 55 SER N N 122.248 . . 184 66 56 GLN H H 8.588 . . 185 66 56 GLN HA H 5.204 . . 186 66 56 GLN C C 174.652 . . 187 66 56 GLN CA C 55.021 . . 188 66 56 GLN CB C 31.284 . . 189 66 56 GLN N N 123.247 . . 190 67 57 GLU H H 8.866 . . 191 67 57 GLU HA H 4.660 . . 192 67 57 GLU C C 175.073 . . 193 67 57 GLU CA C 54.561 . . 194 67 57 GLU CB C 33.581 . . 195 67 57 GLU N N 124.073 . . 196 68 58 LYS H H 8.714 . . 197 68 58 LYS HA H 5.085 . . 198 68 58 LYS C C 176.579 . . 199 68 58 LYS CA C 55.181 . . 200 68 58 LYS CB C 34.337 . . 201 68 58 LYS N N 123.072 . . 202 69 59 GLN H H 8.889 . . 203 69 59 GLN HA H 4.473 . . 204 69 59 GLN C C 175.382 . . 205 69 59 GLN CA C 54.951 . . 206 69 59 GLN CB C 31.103 . . 207 69 59 GLN N N 123.772 . . 208 70 60 ASP H H 9.264 . . 209 70 60 ASP HA H 4.211 . . 210 70 60 ASP C C 175.719 . . 211 70 60 ASP CA C 55.516 . . 212 70 60 ASP CB C 39.993 . . 213 70 60 ASP N N 126.221 . . 214 71 61 GLY H H 8.558 . . 215 71 61 GLY C C 173.839 . . 216 71 61 GLY CA C 45.575 . . 217 71 61 GLY N N 104.662 . . 218 72 62 MET H H 7.912 . . 219 72 62 MET HA H 4.697 . . 220 72 62 MET C C 174.989 . . 221 72 62 MET CA C 53.955 . . 222 72 62 MET CB C 34.450 . . 223 72 62 MET N N 119.688 . . 224 73 63 ASP H H 8.833 . . 225 73 63 ASP C C 174.532 . . 226 73 63 ASP CA C 55.250 . . 227 73 63 ASP CB C 42.741 . . 228 73 63 ASP N N 122.548 . . 229 74 64 VAL H H 8.706 . . 230 74 64 VAL C C 175.246 . . 231 74 64 VAL CA C 60.470 . . 232 74 64 VAL CB C 35.285 . . 233 74 64 VAL N N 121.191 . . 234 75 65 LEU H H 9.185 . . 235 75 65 LEU HA H 4.969 . . 236 75 65 LEU C C 174.649 . . 237 75 65 LEU CA C 53.590 . . 238 75 65 LEU CB C 44.689 . . 239 75 65 LEU N N 126.942 . . 240 76 66 GLU H H 8.955 . . 241 76 66 GLU HA H 5.094 . . 242 76 66 GLU C C 175.051 . . 243 76 66 GLU CA C 54.682 . . 244 76 66 GLU CB C 31.735 . . 245 76 66 GLU N N 124.859 . . 246 77 67 LEU H H 9.142 . . 247 77 67 LEU HA H 5.367 . . 248 77 67 LEU C C 174.632 . . 249 77 67 LEU CA C 54.300 . . 250 77 67 LEU CB C 44.683 . . 251 77 67 LEU N N 125.153 . . 252 78 68 ASN H H 9.009 . . 253 78 68 ASN HA H 5.384 . . 254 78 68 ASN C C 173.922 . . 255 78 68 ASN CA C 52.921 . . 256 78 68 ASN CB C 42.433 . . 257 78 68 ASN N N 122.723 . . 258 79 69 ILE H H 9.228 . . 259 79 69 ILE HA H 4.156 . . 260 79 69 ILE C C 174.574 . . 261 79 69 ILE CA C 60.037 . . 262 79 69 ILE CB C 41.502 . . 263 79 69 ILE N N 125.683 . . 264 80 70 THR H H 8.639 . . 265 80 70 THR HA H 4.026 . . 266 80 70 THR C C 173.538 . . 267 80 70 THR CA C 62.367 . . 268 80 70 THR CB C 69.710 . . 269 80 70 THR N N 123.307 . . 270 81 71 LEU H H 8.659 . . 271 81 71 LEU CA C 52.110 . . 272 81 71 LEU CB C 41.469 . . 273 81 71 LEU N N 126.359 . . 274 82 72 PRO HA H 4.480 . . 275 82 72 PRO C C 176.608 . . 276 82 72 PRO CA C 62.688 . . 277 82 72 PRO CB C 32.222 . . stop_ save_