data_27232 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 13C chemical shifts of solid-state NMR signals of subunit c-ring of TFoF1 ATP synthase ; _BMRB_accession_number 27232 _BMRB_flat_file_name bmr27232.str _Entry_type original _Submission_date 2017-08-24 _Accession_date 2017-08-24 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Experimentally derived chemical shift data' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Akutsu Hideo . . 2 Kang Sujin . . 3 Todokoro Yasuto . . 4 Bak Suyeon . . 5 Suzuki Toshiharu . . 6 Yoshida Masasuke . . 7 Fujiwara Toshimichi . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "13C chemical shifts" 294 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-03-20 update author 'update entry citation' 2017-08-28 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 11550 'Chemical shifts of SAIL signals of subunit c-ring of thermophilic FoF1 ATP synthase' stop_ _Original_release_date 2017-08-24 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Direct assignment of 13C solid-state NMR signals of TFoF1 ATP synthase subunit c-ring in lipid membranes and its implication for the ring structure ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29197977 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kang Su-Jin J. . 2 Todokoro Yasuto . . 3 Bak Suyeon . . 4 Suzuki Toshiharu . . 5 Yoshida Masasuke . . 6 Fujiwara Toshimichi . . 7 Akutsu Hideo . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 70 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 53 _Page_last 65 _Year 2018 _Details . loop_ _Keyword 'CP/MAS NMR' 'FoF1-ATP synthase' 'lipid-protein interaction' 'membrane protein' 'secondary structure' 'specific isotope labeling' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'subunit c ring of FoF1 ATP synthase' _Enzyme_commission_number 'EC 3.6.3.14' loop_ _Mol_system_component_name _Mol_label 'ATP synthase subunit c' $FoF1_ATP_synthase_subunit_c stop_ _System_molecular_weight 73840 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'proton trans location across the membrane' stop_ _Database_query_date . _Details 'subunit c-ring of FoF1 ATP synthase from thermophilic Bacillus PS3' save_ ######################## # Monomeric polymers # ######################## save_FoF1_ATP_synthase_subunit_c _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common FoF1_ATP_synthase_subunit_c _Molecular_mass 7384 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 72 _Mol_residue_sequence ; MHLGVLAAAIAVGLGALGAG IGNGLIVSRTIEGIARQPEL RPVLQTTMFIGVALVEALPI IGVVFSFIYLGR ; loop_ _Residue_seq_code _Residue_label 1 MET 2 HIS 3 LEU 4 GLY 5 VAL 6 LEU 7 ALA 8 ALA 9 ALA 10 ILE 11 ALA 12 VAL 13 GLY 14 LEU 15 GLY 16 ALA 17 LEU 18 GLY 19 ALA 20 GLY 21 ILE 22 GLY 23 ASN 24 GLY 25 LEU 26 ILE 27 VAL 28 SER 29 ARG 30 THR 31 ILE 32 GLU 33 GLY 34 ILE 35 ALA 36 ARG 37 GLN 38 PRO 39 GLU 40 LEU 41 ARG 42 PRO 43 VAL 44 LEU 45 GLN 46 THR 47 THR 48 MET 49 PHE 50 ILE 51 GLY 52 VAL 53 ALA 54 LEU 55 VAL 56 GLU 57 ALA 58 LEU 59 PRO 60 ILE 61 ILE 62 GLY 63 VAL 64 VAL 65 PHE 66 SER 67 PHE 68 ILE 69 TYR 70 LEU 71 GLY 72 ARG 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 'UniProt KB/Swiss Prot' P00845 'ATP synthase subunit c' . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $FoF1_ATP_synthase_subunit_c 'thermophilic Bacillus' 1386 Bacteria . thermophilic Bacillus PS3 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 $FoF1_ATP_synthase_subunit_c 'recombinant technology' . Escherichia coli . pTR19-ASDS-cHis2R stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Rev1 _Saveframe_category sample _Sample_type liposome _Details 'reverse-labeled(delete HRIVL)' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $FoF1_ATP_synthase_subunit_c 3 mg [U-13C] stop_ save_ save_Rev2 _Saveframe_category sample _Sample_type liposome _Details 'reverse-labeled(delete RIFTPMN)' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $FoF1_ATP_synthase_subunit_c 3 mg [U-13C] stop_ save_ save_Rev3 _Saveframe_category sample _Sample_type liposome _Details 'reverse-labeled(delete VLFP)' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $FoF1_ATP_synthase_subunit_c 3 mg [U-13C] stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.114 loop_ _Vendor _Address _Electronic_address 'Goddard & Kneller (SPARKY)' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_Felix _Saveframe_category software _Name Felix _Version Felix2007 loop_ _Vendor _Address _Electronic_address 'Felix NMR Inc.' 'San Diego, CA' . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model 'Infinity-plus 600' _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model 'Infinity-plus 700' _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_13C_homonuclear_correlation_experiments_with_the_dipolar_assisted_rotational_resonance_(DARR)_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 13C homonuclear correlation experiments with the dipolar assisted rotational resonance (DARR)' _Sample_label $Rev1 save_ save_2D_13C_homonuclear_correlation_experiments_with_the_dipolar_assisted_rotational_resonance_(DARR)_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 13C homonuclear correlation experiments with the dipolar assisted rotational resonance (DARR)' _Sample_label $Rev2 save_ save_2D_13C_homonuclear_correlation_experiments_with_the_dipolar_assisted_rotational_resonance_(DARR)_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 13C homonuclear correlation experiments with the dipolar assisted rotational resonance (DARR)' _Sample_label $Rev3 save_ save_2D_Cai+1-(C_Ca)i_correlation_spectra_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D Cai+1-(C Ca)i correlation spectra' _Sample_label $Rev1 save_ save_2D_Cai+1-(C_Ca)i_correlation_spectra_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D Cai+1-(C Ca)i correlation spectra' _Sample_label $Rev2 save_ save_2D_Cai+1-(C_Ca)i_correlation_spectra_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D Cai+1-(C Ca)i correlation spectra' _Sample_label $Rev3 save_ ####################### # Sample conditions # ####################### save_sample_condition_1 _Saveframe_category sample_conditions _Details 'In DMPC liposomes; In MAS rotors (3.2 mm).' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 10 . mM pH 7.5 . pH temperature 248 . 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 cylindrical 'separate tube (no insert) similar to the experimental sample tube' 'magic angle' 0.251449530 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 13C homonuclear correlation experiments with the dipolar assisted rotational resonance (DARR)' '2D Cai+1-(C Ca)i correlation spectra' stop_ loop_ _Sample_label $Rev1 $Rev2 $Rev3 stop_ _Sample_conditions_label $sample_condition_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'ATP synthase subunit c' _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 3 3 LEU C C 176.5 1 1 2 3 3 LEU CA C 53.2 0.7 1 3 3 3 LEU CB C 41.3 1 1 4 3 3 LEU CG C 27 0.7 1 5 4 4 GLY C C 174.4 1 1 6 4 4 GLY CA C 47 1 1 7 5 5 VAL C C 175 1.5 1 8 5 5 VAL CA C 64 1 1 9 5 5 VAL CB C 30.4 0.8 1 10 5 5 VAL CG1 C 22.6 1 1 11 5 5 VAL CG2 C 20 1 1 12 6 6 LEU CA C 56.9 0.7 1 13 6 6 LEU CB C 42.4 0.7 1 14 6 6 LEU CG C 26.7 1 1 15 6 6 LEU CD1 C 23.1 1 2 16 6 6 LEU CD2 C 23.1 1 2 17 7 7 ALA C C 177.5 0.8 1 18 7 7 ALA CA C 57.3 0.7 1 19 7 7 ALA CB C 18.6 0.7 1 20 8 8 ALA C C 180.2 0.5 1 21 8 8 ALA CA C 55.1 0.5 1 22 8 8 ALA CB C 21.4 0.5 1 23 9 9 ALA C C 177.9 0.7 1 24 9 9 ALA CA C 55 0.5 1 25 9 9 ALA CB C 19.5 0.5 1 26 10 10 ILE C C 177.3 0.8 1 27 10 10 ILE CA C 65.5 0.5 1 28 10 10 ILE CB C 38.1 0.5 1 29 10 10 ILE CG1 C 30.5 0.5 1 30 10 10 ILE CG2 C 17.1 0.5 1 31 10 10 ILE CD1 C 14.5 0.5 1 32 11 11 ALA C C 180.4 0.5 1 33 11 11 ALA CA C 56.1 0.5 1 34 11 11 ALA CB C 17.9 0.5 1 35 12 12 VAL C C 177.9 0.7 1 36 12 12 VAL CA C 66.8 0.5 1 37 12 12 VAL CB C 32.2 0.5 1 38 12 12 VAL CG1 C 23.7 0.5 1 39 12 12 VAL CG2 C 20.6 0.5 1 40 13 13 GLY C C 175.9 0.5 1 41 13 13 GLY CA C 47.7 0.5 1 42 14 14 LEU C C 177.9 0.7 1 43 14 14 LEU CA C 58 0.5 1 44 14 14 LEU CB C 42.2 0.5 1 45 14 14 LEU CG C 26.6 0.5 1 46 14 14 LEU CD1 C 23.5 0.5 2 47 14 14 LEU CD2 C 23.5 0.5 2 48 15 15 GLY C C 175.2 0.5 1 49 15 15 GLY CA C 48.5 0.5 1 50 16 16 ALA C C 178.8 0.5 1 51 16 16 ALA CA C 53.4 0.5 1 52 16 16 ALA CB C 17.8 0.5 1 53 17 17 LEU C C 179.9 0.7 1 54 17 17 LEU CA C 58.1 0.5 1 55 17 17 LEU CB C 40.5 0.5 1 56 17 17 LEU CG C 26 0.5 1 57 17 17 LEU CD1 C 22.7 0.5 2 58 17 17 LEU CD2 C 22.7 0.5 2 59 18 18 GLY C C 175.2 0.5 1 60 18 18 GLY CA C 47.6 0.5 1 61 19 19 ALA C C 180.7 0.5 1 62 19 19 ALA CA C 55.7 0.5 1 63 19 19 ALA CB C 17.8 0.5 1 64 20 20 GLY C C 176.1 0.5 1 65 20 20 GLY CA C 47.7 0.5 1 66 21 21 ILE C C 177.8 0.5 1 67 21 21 ILE CA C 66.4 0.5 1 68 21 21 ILE CB C 38.7 0.5 1 69 21 21 ILE CG1 C 30.6 0.5 1 70 22 22 GLY C C 175.5 0.5 1 71 22 22 GLY CA C 49.3 0.5 1 72 23 23 ASN C C 178.2 0.5 1 73 23 23 ASN CA C 55.4 0.5 1 74 23 23 ASN CB C 37.3 0.5 1 75 23 23 ASN CG C 170.7 0.5 1 76 24 24 GLY C C 176 0.5 1 77 24 24 GLY CA C 47.6 0.5 1 78 25 25 LEU C C 178.8 0.7 1 79 25 25 LEU CA C 58.6 0.5 1 80 25 25 LEU CB C 42.1 0.5 1 81 25 25 LEU CG C 26.4 0.5 1 82 25 25 LEU CD1 C 23.1 0.5 2 83 25 25 LEU CD2 C 23.1 0.5 2 84 26 26 ILE C C 177.9 0.7 1 85 26 26 ILE CA C 65.8 0.5 1 86 26 26 ILE CB C 38.9 0.5 1 87 26 26 ILE CG1 C 28.6 0.5 1 88 26 26 ILE CG2 C 17.7 0.5 1 89 26 26 ILE CD1 C 14.5 0.5 1 90 27 27 VAL C C 178.3 0.5 1 91 27 27 VAL CA C 66.2 0.5 1 92 27 27 VAL CB C 30.7 0.5 1 93 27 27 VAL CG1 C 21.5 0.5 1 94 27 27 VAL CG2 C 20.4 0.5 1 95 28 28 SER C C 175.6 0.5 1 96 28 28 SER CA C 63 0.5 1 97 28 28 SER CB C 61.7 0.5 1 98 29 29 ARG C C 177.6 0.7 1 99 29 29 ARG CA C 59.2 0.7 1 100 29 29 ARG CB C 32 0.7 1 101 29 29 ARG CG C 28 0.7 1 102 29 29 ARG CD C 43.3 0.7 1 103 30 30 THR C C 175.2 0.5 1 104 30 30 THR CA C 67.7 0.5 1 105 30 30 THR CB C 67.4 0.5 1 106 30 30 THR CG2 C 20.7 0.5 1 107 31 31 ILE C C 177.6 0.5 1 108 31 31 ILE CA C 66.4 0.5 1 109 31 31 ILE CB C 38.6 0.5 1 110 31 31 ILE CG1 C 31.8 0.5 1 111 31 31 ILE CG2 C 17.6 0.5 1 112 31 31 ILE CD1 C 15.7 0.5 1 113 32 32 GLU C C 178.7 0.5 1 114 32 32 GLU CA C 58.6 0.5 1 115 32 32 GLU CB C 30.4 0.5 1 116 32 32 GLU CG C 34.5 0.7 1 117 32 32 GLU CD C 183.1 0.5 1 118 33 33 GLY C C 175.4 0.5 1 119 33 33 GLY CA C 47.2 0.5 1 120 34 34 ILE C C 177.4 0.5 1 121 34 34 ILE CA C 65.1 0.5 1 122 34 34 ILE CB C 37.9 0.5 1 123 34 34 ILE CG1 C 30.3 0.5 1 124 35 35 ALA C C 178.4 0.5 1 125 35 35 ALA CA C 55.3 0.5 1 126 35 35 ALA CB C 18.2 0.5 1 127 36 36 ARG CA C 57.5 0.5 1 128 36 36 ARG CB C 30.2 0.5 1 129 36 36 ARG CG C 26.4 0.5 1 130 36 36 ARG CD C 42.8 0.7 1 131 37 37 GLN C C 172.7 0.5 1 132 37 37 GLN CA C 52.3 0.5 1 133 37 37 GLN CB C 29.6 0.5 1 134 37 37 GLN CG C 33.1 0.5 1 135 37 37 GLN CD C 180.9 0.5 1 136 38 38 PRO C C 177.2 1 1 137 38 38 PRO CA C 64.2 1 1 138 38 38 PRO CB C 32.2 1 1 139 38 38 PRO CG C 27.9 1 1 140 38 38 PRO CD C 50 1 1 141 39 39 GLU C C 177.8 0.5 1 142 39 39 GLU CA C 57.8 0.5 1 143 39 39 GLU CB C 31.4 0.5 1 144 39 39 GLU CG C 35.8 0.7 1 145 39 39 GLU CD C 182.6 0.7 1 146 40 40 LEU C C 176.8 0.8 1 147 40 40 LEU CA C 59 1 1 148 40 40 LEU CB C 39.1 0.8 1 149 40 40 LEU CG C 28.5 0.7 1 150 40 40 LEU CD1 C 25 0.7 2 151 40 40 LEU CD2 C 25 0.7 2 152 41 41 ARG C C 177.9 0.5 1 153 41 41 ARG CA C 58.4 0.5 1 154 41 41 ARG CB C 29.4 0.5 1 155 41 41 ARG CG C 26.7 0.5 1 156 41 41 ARG CD C 42.1 0.7 1 157 42 42 PRO C C 180.4 0.5 1 158 42 42 PRO CA C 65.9 0.5 1 159 42 42 PRO CB C 31 0.5 1 160 42 42 PRO CG C 28.3 0.5 1 161 42 42 PRO CD C 49.6 0.5 1 162 43 43 VAL C C 177.9 0.7 1 163 43 43 VAL CA C 65.3 0.5 1 164 43 43 VAL CB C 31.2 0.5 1 165 43 43 VAL CG1 C 21.4 0.5 2 166 43 43 VAL CG2 C 21.4 0.5 2 167 44 44 LEU C C 177.6 0.8 1 168 44 44 LEU CA C 57.8 0.5 1 169 44 44 LEU CB C 41.2 0.5 1 170 44 44 LEU CG C 26.1 0.5 1 171 44 44 LEU CD1 C 23 0.5 2 172 44 44 LEU CD2 C 23 0.5 2 173 45 45 GLN C C 177.4 0.5 1 174 45 45 GLN CA C 58.8 0.5 1 175 45 45 GLN CB C 30.7 0.5 1 176 45 45 GLN CG C 32.2 0.5 1 177 46 46 THR C C 175.7 0.5 1 178 46 46 THR CA C 68 0.7 1 179 46 46 THR CB C 68.5 0.7 1 180 46 46 THR CG2 C 22.5 0.5 1 181 47 47 THR C C 175.3 0.5 1 182 47 47 THR CA C 68.1 0.7 1 183 47 47 THR CB C 68.3 0.7 1 184 47 47 THR CG2 C 22.1 0.5 1 185 48 48 MET C C 177.7 0.7 1 186 48 48 MET CA C 59.4 0.5 1 187 48 48 MET CB C 32.3 0.5 1 188 48 48 MET CG C 31.4 0.5 1 189 49 49 PHE C C 177.3 0.7 1 190 49 49 PHE CA C 62.3 0.5 1 191 49 49 PHE CB C 39.2 0.5 1 192 49 49 PHE CG C 134.8 1 1 193 49 49 PHE CD1 C 132.5 1 3 194 49 49 PHE CE1 C 131 1 3 195 49 49 PHE CZ C 129 1 1 196 50 50 ILE C C 177.8 0.7 1 197 50 50 ILE CA C 66 0.5 1 198 50 50 ILE CB C 39 0.5 1 199 50 50 ILE CG1 C 28.6 0.5 1 200 50 50 ILE CG2 C 18.1 0.5 1 201 50 50 ILE CD1 C 14.5 0.5 1 202 51 51 GLY C C 174.9 0.5 1 203 51 51 GLY CA C 49.5 0.5 1 204 52 52 VAL C C 178.1 0.7 1 205 52 52 VAL CA C 65.5 0.5 1 206 52 52 VAL CB C 31.7 0.5 1 207 52 52 VAL CG1 C 21.4 0.5 2 208 52 52 VAL CG2 C 21.4 0.5 2 209 53 53 ALA C C 177.8 0.8 1 210 53 53 ALA CA C 56.1 0.5 1 211 53 53 ALA CB C 18 0.5 1 212 54 54 LEU C C 179.8 0.7 1 213 54 54 LEU CA C 57.8 0.5 1 214 54 54 LEU CB C 41.1 0.5 1 215 54 54 LEU CG C 26.1 0.5 1 216 54 54 LEU CD1 C 23.1 0.5 2 217 54 54 LEU CD2 C 23.1 0.5 2 218 55 55 VAL C C 177.7 0.7 1 219 55 55 VAL CA C 67.1 0.5 1 220 55 55 VAL CB C 31.9 0.5 1 221 55 55 VAL CG1 C 25.6 0.5 1 222 55 55 VAL CG2 C 23.6 0.5 1 223 56 56 GLU C C 177.4 0.5 1 224 56 56 GLU CA C 57.6 0.5 1 225 56 56 GLU CB C 27.9 0.5 1 226 56 56 GLU CG C 31.3 0.8 1 227 56 56 GLU CD C 174.5 0.5 1 228 57 57 ALA C C 178.5 0.7 1 229 57 57 ALA CA C 53.8 0.5 1 230 57 57 ALA CB C 17.8 0.5 1 231 58 58 LEU C C 177.9 0.7 1 232 58 58 LEU CA C 58.1 0.5 1 233 58 58 LEU CB C 42.1 0.5 1 234 58 58 LEU CG C 26.7 0.5 1 235 59 59 PRO C C 178.3 0.5 1 236 59 59 PRO CA C 66.6 0.5 1 237 59 59 PRO CB C 31.3 0.5 1 238 59 59 PRO CG C 28.6 0.5 1 239 59 59 PRO CD C 49.6 0.5 1 240 60 60 ILE C C 177.7 0.5 1 241 60 60 ILE CA C 65.3 0.5 1 242 60 60 ILE CB C 38.1 0.5 1 243 60 60 ILE CG1 C 30.1 0.5 1 244 61 61 ILE C C 178.9 0.5 1 245 61 61 ILE CA C 66.5 0.5 1 246 61 61 ILE CB C 39 0.5 1 247 61 61 ILE CG1 C 30.9 0.5 1 248 61 61 ILE CG2 C 18.2 0.5 1 249 61 61 ILE CD1 C 15 0.5 1 250 62 62 GLY C C 175.7 0.5 1 251 62 62 GLY CA C 47.4 0.5 1 252 63 63 VAL C C 179.4 0.7 1 253 63 63 VAL CA C 66.5 0.5 1 254 63 63 VAL CB C 30.8 0.5 1 255 63 63 VAL CG1 C 23.6 0.5 1 256 63 63 VAL CG2 C 21.6 0.5 1 257 64 64 VAL C C 177.8 0.7 1 258 64 64 VAL CA C 67.5 0.5 1 259 64 64 VAL CB C 30.9 0.5 1 260 64 64 VAL CG1 C 23.5 0.5 1 261 64 64 VAL CG2 C 22.2 0.5 1 262 65 65 PHE CA C 63 0.5 1 263 65 65 PHE CB C 39.3 0.5 1 264 66 66 SER C C 174.5 0.5 1 265 66 66 SER CA C 62.4 0.5 1 266 66 66 SER CB C 61.6 0.5 1 267 67 67 PHE CA C 63 0.5 1 268 67 67 PHE CB C 39.3 0.5 1 269 68 68 ILE C C 177.6 0.5 1 270 68 68 ILE CA C 66.4 1 1 271 68 68 ILE CB C 37.2 1 1 272 68 68 ILE CG1 C 30.3 0.8 1 273 68 68 ILE CG2 C 17.2 0.8 1 274 68 68 ILE CD1 C 13.6 0.8 1 275 69 69 TYR C C 178 0.5 1 276 69 69 TYR CA C 58.5 0.5 1 277 69 69 TYR CB C 43.4 0.5 1 278 69 69 TYR CG C 129.7 0.8 1 279 69 69 TYR CD1 C 132.8 0.8 3 280 69 69 TYR CE1 C 117 0.8 3 281 69 69 TYR CZ C 158.8 0.7 1 282 70 70 LEU C C 180 0.7 1 283 70 70 LEU CA C 57.9 0.5 1 284 70 70 LEU CB C 40.3 0.5 1 285 70 70 LEU CG C 26.8 0.5 1 286 70 70 LEU CD1 C 23.1 0.5 2 287 70 70 LEU CD2 C 23.1 0.5 2 288 71 71 GLY C C 175.9 0.7 1 289 71 71 GLY CA C 47.8 0.5 1 290 72 72 ARG C C 172.6 0.7 1 291 72 72 ARG CA C 62.4 0.7 1 292 72 72 ARG CB C 28 0.7 1 293 72 72 ARG CG C 26.8 0.7 1 294 72 72 ARG CD C 43.5 0.7 1 stop_ save_