data_27556 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR chemical shifts of horse heart cytochrome c bound to 1:1 (molar) TOCL/DOPC vesicles. ; _BMRB_accession_number 27556 _BMRB_flat_file_name bmr27556.str _Entry_type original _Submission_date 2018-07-24 _Accession_date 2018-07-24 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Solid-state NMR chemical shifts of horse heart cytochrome c bound to 50 mol% TOCL and 50 mol% DOPC unilamellar vesicles.' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Li Mingyue . . 2 Mandal Abhishek . . 3 Tyurin Vladimir . . 4 DeLucia Maria . . 5 Ahn Jinwoo . . 6 Kagan Valerian . . 7 'van der Wel' Patrick C.A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "13C chemical shifts" 152 "15N chemical shifts" 50 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-05-30 update BMRB 'update entry citation' 2019-03-07 original author 'original release' stop_ _Original_release_date 2018-07-24 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Surface-Binding to Cardiolipin Nanodomains Triggers Cytochrome c Pro-apoptotic Peroxidase Activity via Localized Dynamics. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30879887 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Li Mingyue . . 2 Mandal Abhishek . . 3 Tyurin Vladimir . . 4 DeLucia Maria . . 5 Ahn Jinwoo . . 6 Kagan Valerian . . 7 'van der Wel' Patrick C.A. . stop_ _Journal_abbreviation Structure _Journal_name_full 'Structure (London, England : 1993)' _Journal_volume 27 _Journal_issue 5 _Journal_ISSN 1878-4186 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 806 _Page_last 815 _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'horse heart cytochrome c' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label protein $horse_heart_cytochrome_c ligand $entity_HEM stop_ _System_molecular_weight . _System_physical_state PA _System_oligomer_state ? _System_paramagnetic yes _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_horse_heart_cytochrome_c _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common horse_heart_cytochrome_c _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function apoptosis 'electron transport' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 104 _Mol_residue_sequence ; GDVEKGKKIFVQKCAQCHTV EKGGKHKTGPNLHGLFGRKT GQAPGFTYTDANKNKGITWK EETLMEYLENPKKYIPGTKM IFAGIKKKTEREDLIAYLKK ATNE ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 ASP 3 VAL 4 GLU 5 LYS 6 GLY 7 LYS 8 LYS 9 ILE 10 PHE 11 VAL 12 GLN 13 LYS 14 CYS 15 ALA 16 GLN 17 CYS 18 HIS 19 THR 20 VAL 21 GLU 22 LYS 23 GLY 24 GLY 25 LYS 26 HIS 27 LYS 28 THR 29 GLY 30 PRO 31 ASN 32 LEU 33 HIS 34 GLY 35 LEU 36 PHE 37 GLY 38 ARG 39 LYS 40 THR 41 GLY 42 GLN 43 ALA 44 PRO 45 GLY 46 PHE 47 THR 48 TYR 49 THR 50 ASP 51 ALA 52 ASN 53 LYS 54 ASN 55 LYS 56 GLY 57 ILE 58 THR 59 TRP 60 LYS 61 GLU 62 GLU 63 THR 64 LEU 65 MET 66 GLU 67 TYR 68 LEU 69 GLU 70 ASN 71 PRO 72 LYS 73 LYS 74 TYR 75 ILE 76 PRO 77 GLY 78 THR 79 LYS 80 MET 81 ILE 82 PHE 83 ALA 84 GLY 85 ILE 86 LYS 87 LYS 88 LYS 89 THR 90 GLU 91 ARG 92 GLU 93 ASP 94 LEU 95 ILE 96 ALA 97 TYR 98 LEU 99 LYS 100 LYS 101 ALA 102 THR 103 ASN 104 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value UNP P00004 CYC_HORSE . . . . . stop_ save_ ############# # Ligands # ############# save_HEM _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common 'PROTOPORPHYRIN IX CONTAINING FE' _BMRB_code HEM _PDB_code HEM _Molecular_mass 616.487 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic yes _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons CHA CHA C . 0 . ? CHB CHB C . 0 . ? CHC CHC C . 0 . ? CHD CHD C . 0 . ? C1A C1A C . 0 . ? C2A C2A C . 0 . ? C3A C3A C . 0 . ? C4A C4A C . 0 . ? CMA CMA C . 0 . ? CAA CAA C . 0 . ? CBA CBA C . 0 . ? CGA CGA C . 0 . ? O1A O1A O . 0 . ? O2A O2A O . 0 . ? C1B C1B C . 0 . ? C2B C2B C . 0 . ? C3B C3B C . 0 . ? C4B C4B C . 0 . ? CMB CMB C . 0 . ? CAB CAB C . 0 . ? CBB CBB C . 0 . ? C1C C1C C . 0 . ? C2C C2C C . 0 . ? C3C C3C C . 0 . ? C4C C4C C . 0 . ? CMC CMC C . 0 . ? CAC CAC C . 0 . ? CBC CBC C . 0 . ? C1D C1D C . 0 . ? C2D C2D C . 0 . ? C3D C3D C . 0 . ? C4D C4D C . 0 . ? CMD CMD C . 0 . ? CAD CAD C . 0 . ? CBD CBD C . 0 . ? CGD CGD C . 0 . ? O1D O1D O . 0 . ? O2D O2D O . 0 . ? NA NA N . 0 . ? NB NB N . 0 . ? NC NC N . 0 . ? ND ND N . 0 . ? FE FE FE . 0 . ? HHB HHB H . 0 . ? HHC HHC H . 0 . ? HHD HHD H . 0 . ? HMA HMA H . 0 . ? HMAA HMAA H . 0 . ? HMAB HMAB H . 0 . ? HAA HAA H . 0 . ? HAAA HAAA H . 0 . ? HBA HBA H . 0 . ? HBAA HBAA H . 0 . ? HMB HMB H . 0 . ? HMBA HMBA H . 0 . ? HMBB HMBB H . 0 . ? HAB HAB H . 0 . ? HBB HBB H . 0 . ? HBBA HBBA H . 0 . ? HMC HMC H . 0 . ? HMCA HMCA H . 0 . ? HMCB HMCB H . 0 . ? HAC HAC H . 0 . ? HBC HBC H . 0 . ? HBCA HBCA H . 0 . ? HMD HMD H . 0 . ? HMDA HMDA H . 0 . ? HMDB HMDB H . 0 . ? HAD HAD H . 0 . ? HADA HADA H . 0 . ? HBD HBD H . 0 . ? HBDA HBDA H . 0 . ? H2A H2A H . 0 . ? H2D H2D H . 0 . ? HHA HHA H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING CHA C1A ? ? DOUB CHA C4D ? ? SING CHA HHA ? ? SING CHB C4A ? ? DOUB CHB C1B ? ? SING CHB HHB ? ? SING CHC C4B ? ? DOUB CHC C1C ? ? SING CHC HHC ? ? DOUB CHD C4C ? ? SING CHD C1D ? ? SING CHD HHD ? ? DOUB C1A C2A ? ? SING C1A NA ? ? SING C2A C3A ? ? SING C2A CAA ? ? DOUB C3A C4A ? ? SING C3A CMA ? ? SING C4A NA ? ? SING CMA HMA ? ? SING CMA HMAA ? ? SING CMA HMAB ? ? SING CAA CBA ? ? SING CAA HAA ? ? SING CAA HAAA ? ? SING CBA CGA ? ? SING CBA HBA ? ? SING CBA HBAA ? ? DOUB CGA O1A ? ? SING CGA O2A ? ? SING C1B C2B ? ? SING C1B NB ? ? DOUB C2B C3B ? ? SING C2B CMB ? ? SING C3B C4B ? ? SING C3B CAB ? ? DOUB C4B NB ? ? SING CMB HMB ? ? SING CMB HMBA ? ? SING CMB HMBB ? ? DOUB CAB CBB ? ? SING CAB HAB ? ? SING CBB HBB ? ? SING CBB HBBA ? ? SING C1C C2C ? ? SING C1C NC ? ? DOUB C2C C3C ? ? SING C2C CMC ? ? SING C3C C4C ? ? SING C3C CAC ? ? SING C4C NC ? ? SING CMC HMC ? ? SING CMC HMCA ? ? SING CMC HMCB ? ? DOUB CAC CBC ? ? SING CAC HAC ? ? SING CBC HBC ? ? SING CBC HBCA ? ? SING C1D C2D ? ? DOUB C1D ND ? ? DOUB C2D C3D ? ? SING C2D CMD ? ? SING C3D C4D ? ? SING C3D CAD ? ? SING C4D ND ? ? SING CMD HMD ? ? SING CMD HMDA ? ? SING CMD HMDB ? ? SING CAD CBD ? ? SING CAD HAD ? ? SING CAD HADA ? ? SING CBD CGD ? ? SING CBD HBD ? ? SING CBD HBDA ? ? DOUB CGD O1D ? ? SING CGD O2D ? ? SING O2A H2A ? ? SING O2D H2D ? ? SING FE NA ? ? SING FE NB ? ? SING FE NC ? ? SING FE ND ? ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $horse_heart_cytochrome_c '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 $horse_heart_cytochrome_c 'recombinant technology' . Escherichia coli . pETDuet stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_ssNMR_sample _Saveframe_category sample _Sample_type liposome _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $horse_heart_cytochrome_c 30 uL '[U-99% 13C; U-99% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _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_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_DARR_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DARR' _Sample_label $ssNMR_sample save_ save_2D_NCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NCA' _Sample_label $ssNMR_sample save_ save_3D_NCACX_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D NCACX' _Sample_label $ssNMR_sample save_ save_3D_NCOCX_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D NCOCX' _Sample_label $ssNMR_sample save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.4 . pH pressure 1 . atm temperature 252 . 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 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.00 na 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_ _Experiment_label '2D DARR' '2D NCA' '3D NCACX' '3D NCOCX' stop_ loop_ _Sample_label $ssNMR_sample stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name protein _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 2 2 ASP CA C 52.7 0.4 1 2 2 2 ASP N N 124.6 0.5 1 3 3 3 VAL CA C 66.2 0.4 1 4 3 3 VAL N N 124.1 0.5 1 5 6 6 GLY C C 174.4 0.5 1 6 6 6 GLY CA C 46.5 0.4 1 7 6 6 GLY N N 108.1 0.5 1 8 9 9 ILE C C 177.1 0.4 1 9 9 9 ILE CA C 64.4 0.4 1 10 9 9 ILE CB C 37.7 0.4 1 11 9 9 ILE CG1 C 27.9 0.4 1 12 9 9 ILE CG2 C 18.2 0.4 1 13 9 9 ILE CD1 C 14.6 0.4 1 14 9 9 ILE N N 119.7 0.5 1 15 10 10 PHE C C 179.2 0.4 1 16 10 10 PHE CA C 62.5 0.4 1 17 10 10 PHE CB C 39.9 0.4 1 18 10 10 PHE N N 121.1 0.5 1 19 11 11 VAL C C 178.0 0.4 1 20 11 11 VAL CA C 66.6 0.4 1 21 11 11 VAL CB C 32.4 0.4 1 22 11 11 VAL CG1 C 23.5 0.4 1 23 11 11 VAL CG2 C 21.7 0.4 1 24 11 11 VAL N N 122.6 0.5 1 25 13 13 LYS CA C 57.0 0.4 1 26 13 13 LYS N N 112.1 0.5 1 27 14 14 CYS CA C 54.6 0.4 1 28 14 14 CYS N N 115.3 0.5 1 29 15 15 ALA C C 179.2 0.4 1 30 15 15 ALA CA C 55.4 0.4 1 31 15 15 ALA CB C 20.8 0.4 1 32 15 15 ALA N N 124.5 0.5 1 33 19 19 THR C C 176.8 0.4 1 34 19 19 THR CA C 61.3 0.4 1 35 19 19 THR CB C 72.5 0.4 1 36 19 19 THR CG2 C 23.8 0.4 1 37 19 19 THR N N 115.7 0.5 1 38 20 20 VAL C C 179.0 0.4 1 39 20 20 VAL CA C 62.3 0.4 1 40 20 20 VAL CB C 35.1 0.4 1 41 20 20 VAL CG1 C 24.0 0.4 1 42 20 20 VAL CG2 C 18.8 0.4 1 43 20 20 VAL N N 112.1 0.5 1 44 23 23 GLY C C 175.1 0.4 1 45 23 23 GLY CA C 45.7 0.4 1 46 23 23 GLY N N 118.8 0.5 1 47 24 24 GLY C C 173.1 0.4 1 48 24 24 GLY CA C 45.2 0.4 1 49 24 24 GLY N N 108.9 0.5 1 50 27 27 LYS CA C 55.4 0.4 1 51 27 27 LYS N N 126.4 0.5 1 52 31 31 ASN CA C 56.5 0.4 1 53 31 31 ASN N N 127.9 0.5 1 54 34 34 GLY C C 174.3 0.4 1 55 34 34 GLY CA C 46.2 0.4 1 56 34 34 GLY N N 115.4 0.5 1 57 40 40 THR C C 176.9 0.4 1 58 40 40 THR CA C 61.3 0.4 1 59 40 40 THR CB C 68.5 0.4 1 60 40 40 THR CG2 C 23.8 0.4 1 61 40 40 THR N N 108.7 0.5 1 62 41 41 GLY C C 175.0 0.4 1 63 41 41 GLY CA C 45.6 0.4 1 64 41 41 GLY N N 109.5 0.5 1 65 42 42 GLN CA C 54.5 0.4 1 66 42 42 GLN N N 113.2 0.5 1 67 43 43 ALA C C 176.4 0.4 1 68 43 43 ALA CA C 51.7 0.4 1 69 43 43 ALA CB C 18.9 0.4 1 70 43 43 ALA N N 126.0 0.5 1 71 47 47 THR C C 171.1 0.4 1 72 47 47 THR CA C 61.0 0.4 1 73 47 47 THR CB C 67.2 0.4 1 74 47 47 THR CG2 C 22.2 0.4 1 75 47 47 THR N N 124.3 0.5 1 76 48 48 TYR C C 178.6 0.4 1 77 48 48 TYR CA C 57.6 0.4 1 78 48 48 TYR CB C 41.3 0.4 1 79 48 48 TYR N N 127.2 0.5 1 80 49 49 THR C C 176.1 0.4 1 81 49 49 THR CA C 62.0 0.4 1 82 49 49 THR CB C 70.9 0.4 1 83 49 49 THR CG2 C 22.4 0.4 1 84 49 49 THR N N 113.2 0.5 1 85 50 50 ASP C C 178.1 0.4 1 86 50 50 ASP CA C 57.1 0.4 1 87 50 50 ASP CB C 40.6 0.4 1 88 50 50 ASP N N 123.4 0.5 1 89 51 51 ALA C C 180.4 0.4 1 90 51 51 ALA CA C 55.1 0.4 1 91 51 51 ALA CB C 19.2 0.4 1 92 51 51 ALA N N 120.1 0.5 1 93 52 52 ASN CA C 55.1 0.4 1 94 52 52 ASN N N 117.8 0.5 1 95 56 56 GLY C C 175.0 0.4 1 96 56 56 GLY CA C 46.8 0.4 1 97 56 56 GLY N N 104.3 0.5 1 98 59 59 TRP CA C 57.1 0.4 1 99 59 59 TRP N N 129.6 0.5 1 100 63 63 THR C C 177.7 0.4 1 101 63 63 THR CA C 62.9 0.4 1 102 63 63 THR CB C 68.9 0.4 1 103 63 63 THR CG2 C 24.6 0.4 1 104 63 63 THR N N 109.0 0.5 1 105 64 64 LEU C C 178.3 0.4 1 106 64 64 LEU CA C 57.9 0.4 1 107 64 64 LEU CB C 42.0 0.4 1 108 64 64 LEU CG C 27.3 0.4 1 109 64 64 LEU CD1 C 26.3 0.4 1 110 64 64 LEU CD2 C 23.0 0.4 1 111 64 64 LEU N N 122.1 0.5 1 112 68 68 LEU CA C 55.5 0.4 1 113 68 68 LEU N N 111.1 0.5 1 114 70 70 ASN CA C 52.5 0.4 1 115 70 70 ASN N N 104.9 0.5 1 116 74 74 TYR C C 176.9 0.4 1 117 74 74 TYR CA C 61.3 0.4 1 118 74 74 TYR CB C 40.8 0.4 1 119 74 74 TYR N N 121.9 0.5 1 120 75 75 ILE C C 171.3 0.4 1 121 75 75 ILE CA C 59.7 0.4 1 122 75 75 ILE CB C 38.6 0.4 1 123 75 75 ILE CG1 C 28.9 0.4 1 124 75 75 ILE CG2 C 19.4 0.4 1 125 75 75 ILE CD1 C 13.8 0.4 1 126 75 75 ILE N N 115.6 0.5 1 127 76 76 PRO C C 179.5 0.4 1 128 76 76 PRO CA C 63.3 0.4 1 129 76 76 PRO CB C 32.3 0.4 1 130 76 76 PRO CG C 28.3 0.4 1 131 76 76 PRO CD C 51.2 0.4 1 132 77 77 GLY C C 176.7 0.4 1 133 77 77 GLY CA C 45.0 0.4 1 134 77 77 GLY N N 112.9 0.5 1 135 78 78 THR C C 173.8 0.4 1 136 78 78 THR CA C 62.0 0.4 1 137 78 78 THR CB C 70.9 0.4 1 138 78 78 THR CG2 C 22.7 0.4 1 139 78 78 THR N N 115.2 0.5 1 140 81 81 ILE CA C 61.2 0.4 1 141 81 81 ILE CB C 35.5 0.4 1 142 81 81 ILE CG1 C 26.9 0.4 1 143 81 81 ILE CG2 C 18.0 0.4 1 144 81 81 ILE CD1 C 11.4 0.4 1 145 81 81 ILE N N 137.4 0.5 1 146 82 82 PHE CA C 60.0 0.4 1 147 82 82 PHE N N 127.2 0.5 1 148 83 83 ALA C C 177.5 0.4 1 149 83 83 ALA CA C 55.3 0.4 1 150 83 83 ALA CB C 19.6 0.4 1 151 84 84 GLY C C 171.9 0.4 1 152 84 84 GLY CA C 43.0 0.4 1 153 84 84 GLY N N 100.7 0.5 1 154 85 85 ILE CA C 59.1 0.4 1 155 85 85 ILE CB C 40.3 0.4 1 156 85 85 ILE CG1 C 26.4 0.4 1 157 85 85 ILE CG2 C 18.2 0.4 1 158 85 85 ILE CD1 C 13.7 0.4 1 159 85 85 ILE N N 121.1 0.5 1 160 89 89 THR CA C 65.2 0.4 1 161 89 89 THR CB C 68.1 0.4 1 162 89 89 THR CG2 C 22.8 0.4 1 163 89 89 THR N N 111.2 0.5 1 164 90 90 GLU C C 178.7 0.4 1 165 90 90 GLU CA C 59.3 0.4 1 166 90 90 GLU CB C 30.5 0.4 1 167 90 90 GLU CG C 37.7 0.4 1 168 90 90 GLU N N 118.2 0.5 1 169 91 91 ARG C C 177.6 0.4 1 170 91 91 ARG CA C 61.2 0.4 1 171 91 91 ARG CB C 30.9 0.4 1 172 91 91 ARG N N 117.4 0.5 1 173 92 92 GLU C C 180.4 0.4 1 174 92 92 GLU CA C 59.3 0.4 1 175 92 92 GLU CB C 29.5 0.4 1 176 92 92 GLU N N 117.3 0.5 1 177 93 93 ASP C C 177.6 0.4 1 178 93 93 ASP CA C 57.9 0.4 1 179 93 93 ASP CB C 39.3 0.4 1 180 93 93 ASP N N 123.8 0.5 1 181 94 94 LEU C C 178.4 0.4 1 182 94 94 LEU CA C 57.8 0.4 1 183 94 94 LEU CB C 41.0 0.4 1 184 94 94 LEU CG C 27.2 0.4 1 185 94 94 LEU CD1 C 26.8 0.4 1 186 94 94 LEU CD2 C 23.0 0.4 1 187 94 94 LEU N N 121.0 0.5 1 188 95 95 ILE C C 176.4 0.4 1 189 95 95 ILE CA C 66.0 0.4 1 190 95 95 ILE CB C 37.5 0.4 1 191 95 95 ILE CG1 C 31.8 0.4 1 192 95 95 ILE CG2 C 17.9 0.4 1 193 95 95 ILE CD1 C 14.6 0.4 1 194 95 95 ILE N N 119.4 0.5 1 195 96 96 ALA C C 181.1 0.4 1 196 96 96 ALA CA C 54.8 0.4 1 197 96 96 ALA CB C 17.6 0.4 1 198 96 96 ALA N N 123.0 0.5 1 199 102 102 THR CA C 62.4 0.4 1 200 102 102 THR N N 102.6 0.5 1 201 103 103 ASN CA C 52.6 0.4 1 202 103 103 ASN N N 118.0 0.5 1 stop_ save_