data_10021 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone and sidechain 13C and 15N Chemical Shift Assignments of H+-ATP synthase subunit c in the solid state ; _BMRB_accession_number 10021 _BMRB_flat_file_name bmr10021.str _Entry_type original _Submission_date 2006-05-22 _Accession_date 2006-05-22 _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 Kobayashi Masatoshi . . 2 Matsuki Yoh . . 3 Yumen Ikuko . . 4 Fujiwara Toshimichi . . 5 Akutsu Hideo . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "13C chemical shifts" 247 "15N chemical shifts" 52 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-06-13 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 4146 . stop_ _Original_release_date 2007-06-13 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full ; Signal assignment and secondary structure analysis of a uniformly [13C, 15N]-labeled membrane protein, H +-ATP synthase subunit c, by magic-angle spinning solid-state NMR. ; _Citation_title ; 13C and 15N chemical shift assignment of H+-ATP synthase subunit c in the solid state ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17080295 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kobayashi Masatoshi . . 2 Matsuki Yoh . . 3 Yumen Ikuko . . 4 Fujiwara Toshimichi . . 5 Akutsu Hideo . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 36 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 279 _Page_last 293 _Year 2006 _Details . loop_ _Keyword 'Fo subunit c' 'MAS solid-state NMR' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'FoF1 ATP synthase' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'subunit c' $subunit_c stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state 'protein monomer' _System_paramagnetic no _System_thiol_state 'not present' loop_ _Biological_function 'H+ transportation' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_subunit_c _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'subunit c' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 79 _Mol_residue_sequence ; MENLNMDLLYMAAAVMMGLA AIGAAIGIGILGGKFLEGAA RQPDLIPLLRTQFFIVMGLV DAIPMIAVGLGLYVMFAVA ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLU 3 ASN 4 LEU 5 ASN 6 MET 7 ASP 8 LEU 9 LEU 10 TYR 11 MET 12 ALA 13 ALA 14 ALA 15 VAL 16 MET 17 MET 18 GLY 19 LEU 20 ALA 21 ALA 22 ILE 23 GLY 24 ALA 25 ALA 26 ILE 27 GLY 28 ILE 29 GLY 30 ILE 31 LEU 32 GLY 33 GLY 34 LYS 35 PHE 36 LEU 37 GLU 38 GLY 39 ALA 40 ALA 41 ARG 42 GLN 43 PRO 44 ASP 45 LEU 46 ILE 47 PRO 48 LEU 49 LEU 50 ARG 51 THR 52 GLN 53 PHE 54 PHE 55 ILE 56 VAL 57 MET 58 GLY 59 LEU 60 VAL 61 ASP 62 ALA 63 ILE 64 PRO 65 MET 66 ILE 67 ALA 68 VAL 69 GLY 70 LEU 71 GLY 72 LEU 73 TYR 74 VAL 75 MET 76 PHE 77 ALA 78 VAL 79 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 BMRB 15564 subunit_c_of_E._coli_F1F0_ATP_synthas 100.00 79 98.73 100.00 2.02e-43 BMRB 4146 "F1Fo ATP Synthase Subunit c" 98.73 79 100.00 100.00 2.51e-43 BMRB 4151 "F1FO ATP Synthase Subunit c" 98.73 79 100.00 100.00 2.51e-43 PDB 1A91 "Subunit C Of The F1fo Atp Synthase Of Escherichia Coli; Nmr, 10 Structures" 100.00 79 100.00 100.00 5.30e-44 PDB 1ATY "Determination Of Local Protein Structure By Spin Label Difference 2d Nmr: The Region Neighboring Asp61 Of Subunit C Of The F1fo" 100.00 79 98.73 98.73 1.25e-43 PDB 1C0V "Subunit C Of The F1fo Atp Synthase Of Escherichia Coli; Nmr, 10 Structures" 100.00 79 100.00 100.00 5.30e-44 PDB 1C17 "A1c12 Subcomplex Of F1fo Atp Synthase" 100.00 79 100.00 100.00 5.30e-44 PDB 1C99 "Asp61 Deprotonated Form Of Subunit C Of The F1fo Atp Synthase Of Escherichia Coli" 100.00 79 100.00 100.00 5.30e-44 PDB 1IJP "Solution Structure Of Ala20proPRO64ALA SUBSTITUTED SUBUNIT C Of Escherichia Coli Atp Synthase" 100.00 79 97.47 97.47 6.63e-42 PDB 1L6T "Structure Of Ala24ASP61 TO ASP24ASN61 SUBSTITUTED SUBUNIT C Of Escherichia Coli Atp Synthase" 98.73 79 97.44 98.72 7.81e-42 PDB 1QO1 "Molecular Architecture Of The Rotary Motor In Atp Synthase From Yeast Mitochondria" 100.00 79 100.00 100.00 5.30e-44 PDB 4UTQ "A Structural Model Of The Active Ribosome-bound Membrane Protein Insertase Yidc" 100.00 79 100.00 100.00 5.30e-44 DBJ BAB38102 "membrane-bound ATP synthase subunit c AtpE [Escherichia coli O157:H7 str. Sakai]" 100.00 79 100.00 100.00 5.30e-44 DBJ BAE75684 "ATP synthase subunit C [Sodalis glossinidius str. 'morsitans']" 100.00 79 100.00 100.00 5.30e-44 DBJ BAE77551 "F0 sector of membrane-bound ATP synthase, subunit c [Escherichia coli str. K12 substr. W3110]" 100.00 79 100.00 100.00 5.30e-44 DBJ BAG79551 "ATP synthase subunit C [Escherichia coli SE11]" 100.00 79 100.00 100.00 5.30e-44 DBJ BAH65925 "ATP synthase subunit C [Klebsiella pneumoniae subsp. pneumoniae NTUH-K2044]" 100.00 79 100.00 100.00 5.30e-44 EMBL CAA23515 "unnamed protein product [Escherichia coli]" 100.00 79 100.00 100.00 5.30e-44 EMBL CAA23522 "atpE [Escherichia coli]" 100.00 79 100.00 100.00 5.30e-44 EMBL CAA23591 "unnamed protein product [Escherichia coli]" 100.00 79 98.73 98.73 5.62e-43 EMBL CAA24752 "unnamed protein product [Escherichia coli]" 100.00 79 100.00 100.00 5.30e-44 EMBL CAA25777 "unnamed protein product [Escherichia coli]" 100.00 79 100.00 100.00 5.30e-44 GB AAA23668 "dicyclohexylcarbodiimide-binding protein [Escherichia coli]" 100.00 79 100.00 100.00 5.30e-44 GB AAA24732 "ATP synthase c subunit [Escherichia coli]" 100.00 79 100.00 100.00 5.30e-44 GB AAA62089 "ATP synthase F0 subunit c; DCCD-binding protein [Escherichia coli]" 100.00 79 100.00 100.00 5.30e-44 GB AAA83870 "integral membrane proton channel F0 subunit C [Escherichia coli]" 100.00 79 100.00 100.00 5.30e-44 GB AAC76760 "F0 sector of membrane-bound ATP synthase, subunit c [Escherichia coli str. K-12 substr. MG1655]" 100.00 79 100.00 100.00 5.30e-44 PIR AI0953 "ATP synthase chain C [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" 100.00 79 100.00 100.00 5.30e-44 REF NP_312706 "ATP synthase F0F1 subunit C [Escherichia coli O157:H7 str. Sakai]" 100.00 79 100.00 100.00 5.30e-44 REF NP_418193 "F0 sector of membrane-bound ATP synthase, subunit c [Escherichia coli str. K-12 substr. MG1655]" 100.00 79 100.00 100.00 5.30e-44 REF NP_458073 "ATP synthase subunit C [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" 100.00 79 100.00 100.00 5.30e-44 REF NP_462769 "F0F1 ATP synthase subunit C [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" 100.00 79 100.00 100.00 5.30e-44 REF NP_709550 "ATP synthase F0F1 subunit C [Shigella flexneri 2a str. 301]" 100.00 79 100.00 100.00 5.30e-44 SP A1JTD2 "RecName: Full=ATP synthase subunit c; AltName: Full=ATP synthase F(0) sector subunit c; AltName: Full=F-type ATPase subunit c; " 100.00 79 98.73 100.00 8.11e-44 SP A4TSI8 "RecName: Full=ATP synthase subunit c; AltName: Full=ATP synthase F(0) sector subunit c; AltName: Full=F-type ATPase subunit c; " 100.00 79 100.00 100.00 5.30e-44 SP A4WGF0 "RecName: Full=ATP synthase subunit c; AltName: Full=ATP synthase F(0) sector subunit c; AltName: Full=F-type ATPase subunit c; " 100.00 79 100.00 100.00 5.30e-44 SP A6TG41 "RecName: Full=ATP synthase subunit c; AltName: Full=ATP synthase F(0) sector subunit c; AltName: Full=F-type ATPase subunit c; " 100.00 79 100.00 100.00 5.30e-44 SP A7FPE5 "RecName: Full=ATP synthase subunit c; AltName: Full=ATP synthase F(0) sector subunit c; AltName: Full=F-type ATPase subunit c; " 100.00 79 100.00 100.00 5.30e-44 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Fraction $subunit_c 'E. coli' 562 Eubacteria . Escherichia coli no 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 $subunit_c 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solid _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $subunit_c 9 mg '[U-13C; U-15N]' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name FELIX2000 _Version . loop_ _Task processing stop_ _Details 'Accelrys Inc., USA' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Infinity-plus _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Infinity-plus _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Infinity-plus _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_13C-13C_RFDR_1 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-13C RFDR' _Sample_label $sample_1 save_ save_13C-13C_SPC5_2 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-13C SPC5' _Sample_label $sample_1 save_ save_15N-13CaCb_3 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-13CaCb _Sample_label $sample_1 save_ save_15N-13C'CaCb_4 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-13C'CaCb _Sample_label $sample_1 save_ save_15N-13C'-13CaCb_5 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-13C'-13CaCb _Sample_label $sample_1 save_ save_13CaCb-13C'CaCb_6 _Saveframe_category NMR_applied_experiment _Experiment_name 13CaCb-13C'CaCb _Sample_label $sample_1 save_ save_13C-13C_RFDR _Saveframe_category NMR_applied_experiment _Experiment_name '13C-13C RFDR' _BMRB_pulse_sequence_accession_number . _Details . save_ save_13C-13C_SPC5 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-13C SPC5' _BMRB_pulse_sequence_accession_number . _Details . save_ save_15N-13CaCb _Saveframe_category NMR_applied_experiment _Experiment_name 15N-13CaCb _BMRB_pulse_sequence_accession_number . _Details . save_ save_15N-13C'CaCb _Saveframe_category NMR_applied_experiment _Experiment_name 15N-13C'CaCb _BMRB_pulse_sequence_accession_number . _Details . save_ save_15N-13C'-13CaCb _Saveframe_category NMR_applied_experiment _Experiment_name 15N-13C'-13CaCb _BMRB_pulse_sequence_accession_number . _Details . save_ save_13CaCb-13C'CaCb _Saveframe_category NMR_applied_experiment _Experiment_name 13CaCb-13C'CaCb _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details 'Precipitated from chloroform-Methanol (2:1) solvent' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 243 10 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; The 13C chemical shift was referenced to the methylene signal of adamantane resonating at 31.5 ppm which gives chemical shift relative to DSS. The 15N chemical shift reference was computed from the ratios of resonance frequencies in the IUPAC recommendations. ; 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 0.0 . indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.0 . 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '13C-13C RFDR' '13C-13C SPC5' 15N-13CaCb 15N-13C'CaCb 15N-13C'-13CaCb 13CaCb-13C'CaCb stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name '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 4 4 LEU C C 178.5 0.4 1 2 4 4 LEU CA C 58.0 0.4 1 3 4 4 LEU CB C 42.1 0.4 1 4 4 4 LEU CG C 27.4 0.4 1 5 4 4 LEU CD1 C 23.9 0.4 1 6 4 4 LEU N N 120 0.9 1 7 8 8 LEU C C 178.5 0.4 1 8 8 8 LEU CA C 58.0 0.4 1 9 8 8 LEU CB C 42.1 0.4 1 10 8 8 LEU CG C 27.4 0.4 1 11 8 8 LEU CD1 C 23.9 0.4 1 12 8 8 LEU N N 120 0.9 1 13 9 9 LEU C C 178.5 0.4 1 14 9 9 LEU CA C 58.0 0.4 1 15 9 9 LEU CB C 42.1 0.4 1 16 9 9 LEU CG C 27.4 0.4 1 17 9 9 LEU CD1 C 23.9 0.4 1 18 9 9 LEU N N 120 0.9 1 19 10 10 TYR CB C 37.8 0.4 1 20 10 10 TYR CG C 130.7 0.4 1 21 10 10 TYR CD1 C 132.6 0.4 1 22 10 10 TYR CD2 C 132.6 0.4 1 23 10 10 TYR CE1 C 117.9 0.4 1 24 10 10 TYR CE2 C 117.9 0.4 1 25 11 11 MET C C 178.5 0.4 1 26 11 11 MET CA C 57.8 0.4 1 27 11 11 MET CB C 33.6 0.4 1 28 12 12 ALA C C 179.3 0.4 1 29 12 12 ALA CA C 55.0 0.4 1 30 12 12 ALA CB C 18.1 0.4 1 31 12 12 ALA N N 120 0.9 1 32 13 13 ALA C C 179.3 0.4 1 33 13 13 ALA CA C 55.0 0.4 1 34 13 13 ALA CB C 18.1 0.4 1 35 13 13 ALA N N 120 0.9 1 36 14 14 ALA C C 179.3 0.4 1 37 14 14 ALA CA C 55.4 0.4 1 38 14 14 ALA CB C 18.1 0.4 1 39 14 14 ALA N N 120 0.9 1 40 15 15 VAL C C 178.1 0.4 1 41 15 15 VAL CA C 65.5 0.4 1 42 15 15 VAL CB C 31.6 0.4 1 43 15 15 VAL CG1 C 21.9 0.4 1 44 15 15 VAL N N 117 0.9 1 45 16 16 MET C C 178.5 0.4 1 46 16 16 MET CA C 60.1 0.4 1 47 16 16 MET CB C 33.6 0.4 1 48 17 17 MET CA C 53.5 0.4 1 49 18 18 GLY C C 171.5 0.4 1 50 18 18 GLY CA C 44.2 0.4 1 51 18 18 GLY N N 112 0.9 1 52 19 19 LEU CA C 53.5 0.4 1 53 19 19 LEU CB C 46.4 0.4 1 54 19 19 LEU CG C 28.1 0.4 1 55 20 20 ALA C C 179.3 0.4 1 56 20 20 ALA CA C 55.0 0.4 1 57 20 20 ALA CB C 18.1 0.4 1 58 20 20 ALA N N 120 0.9 1 59 21 21 ALA C C 179.3 0.4 1 60 21 21 ALA CA C 55.3 0.4 1 61 21 21 ALA CB C 18.1 0.4 1 62 21 21 ALA N N 120 0.9 1 63 22 22 ILE C C 178.1 0.4 1 64 22 22 ILE CA C 65.5 0.4 1 65 22 22 ILE CB C 38.2 0.4 1 66 22 22 ILE CG1 C 29.7 0.4 1 67 22 22 ILE CG2 C 17.6 0.4 1 68 22 22 ILE CD1 C 14.1 0.4 1 69 22 22 ILE N N 117 0.9 1 70 23 23 GLY C C 175.4 0.4 1 71 23 23 GLY CA C 47.7 0.4 1 72 23 23 GLY N N 107 0.9 1 73 24 24 ALA C C 179.3 0.4 1 74 24 24 ALA CA C 55.0 0.4 1 75 24 24 ALA CB C 18.1 0.4 1 76 24 24 ALA N N 120 0.9 1 77 25 25 ALA C C 179.3 0.4 1 78 25 25 ALA CA C 55.3 0.4 1 79 25 25 ALA CB C 18.1 0.4 1 80 25 25 ALA N N 120 0.9 1 81 26 26 ILE C C 178.1 0.4 1 82 26 26 ILE CA C 65.5 0.4 1 83 26 26 ILE CB C 38.2 0.4 1 84 26 26 ILE CG1 C 29.7 0.4 1 85 26 26 ILE CG2 C 17.6 0.4 1 86 26 26 ILE CD1 C 14.1 0.4 1 87 26 26 ILE N N 117 0.9 1 88 27 27 GLY C C 175.4 0.4 1 89 27 27 GLY CA C 48.0 0.4 1 90 27 27 GLY N N 107 0.9 1 91 28 28 ILE C C 178.1 0.4 1 92 28 28 ILE CA C 65.5 0.4 1 93 28 28 ILE CB C 38.2 0.4 1 94 28 28 ILE CG1 C 29.7 0.4 1 95 28 28 ILE CG2 C 17.6 0.4 1 96 28 28 ILE CD1 C 14.1 0.4 1 97 28 28 ILE N N 117 0.9 1 98 29 29 GLY C C 175.4 0.4 1 99 29 29 GLY CA C 48.0 0.4 1 100 29 29 GLY N N 107 0.9 1 101 30 30 ILE C C 178.1 0.4 1 102 30 30 ILE CA C 65.5 0.4 1 103 30 30 ILE CB C 38.2 0.4 1 104 30 30 ILE CG1 C 29.7 0.4 1 105 30 30 ILE CG2 C 17.6 0.4 1 106 30 30 ILE CD1 C 14.1 0.4 1 107 30 30 ILE N N 117 0.9 1 108 31 31 LEU C C 178.5 0.4 1 109 31 31 LEU CA C 57.8 0.4 1 110 31 31 LEU CB C 42.1 0.4 1 111 31 31 LEU CG C 27.4 0.4 1 112 31 31 LEU CD1 C 23.9 0.4 1 113 31 31 LEU N N 120 0.9 1 114 32 32 GLY C C 175.4 0.4 1 115 32 32 GLY CA C 47.7 0.4 1 116 32 32 GLY N N 107 0.9 1 117 33 33 GLY C C 175.4 0.4 1 118 33 33 GLY CA C 47.3 0.4 1 119 33 33 GLY N N 107 0.9 1 120 34 34 LYS CA C 57.8 0.4 1 121 34 34 LYS CE C 42.2 0.4 1 122 34 34 LYS NZ N 32.8 0.9 1 123 35 35 PHE CB C 39.3 0.4 1 124 35 35 PHE CG C 139.9 0.4 1 125 35 35 PHE CD1 C 131.5 0.4 1 126 35 35 PHE CD2 C 131.5 0.4 1 127 36 36 LEU C C 178.5 0.4 1 128 36 36 LEU CA C 58.0 0.4 1 129 36 36 LEU CB C 42.1 0.4 1 130 36 36 LEU CG C 27.4 0.4 1 131 36 36 LEU CD1 C 23.9 0.4 1 132 36 36 LEU N N 120 0.9 1 133 37 37 GLU C C 178.1 0.4 1 134 37 37 GLU CA C 59.3 0.4 1 135 37 37 GLU CB C 26.8 0.4 1 136 38 38 GLY C C 175.4 0.4 1 137 38 38 GLY CA C 47.7 0.4 1 138 38 38 GLY N N 107 0.9 1 139 39 39 ALA C C 179.3 0.4 1 140 39 39 ALA CA C 55.0 0.4 1 141 39 39 ALA CB C 18.1 0.4 1 142 39 39 ALA N N 120 0.9 1 143 40 40 ALA C C 179.3 0.4 1 144 40 40 ALA CA C 55.0 0.4 1 145 40 40 ALA CB C 18.1 0.4 1 146 40 40 ALA N N 120 0.9 1 147 41 41 ARG CG C 27.1 0.4 1 148 41 41 ARG CD C 43.8 0.4 1 149 41 41 ARG CZ C 159.6 0.4 1 150 41 41 ARG NE N 83.7 0.9 1 151 41 41 ARG NH1 N 71.1 0.9 2 152 41 41 ARG NH2 N 74.2 0.9 2 153 42 42 GLN CA C 55.0 0.4 1 154 43 43 PRO CA C 62.5 0.4 1 155 43 43 PRO CD C 50.1 0.4 1 156 43 43 PRO N N 137 0.9 1 157 45 45 LEU CA C 54.2 0.4 1 158 45 45 LEU CB C 46.4 0.4 1 159 45 45 LEU CG C 28.1 0.4 1 160 46 46 ILE C C 178.1 0.4 1 161 46 46 ILE CA C 65.5 0.4 1 162 46 46 ILE CB C 38.2 0.4 1 163 46 46 ILE CG1 C 29.7 0.4 1 164 46 46 ILE CG2 C 17.6 0.4 1 165 46 46 ILE CD1 C 14.1 0.4 1 166 47 47 PRO CA C 65.2 0.4 1 167 47 47 PRO CD C 49.3 0.4 1 168 47 47 PRO N N 133 0.9 1 169 48 48 LEU C C 178.5 0.4 1 170 48 48 LEU CA C 58.0 0.4 1 171 48 48 LEU CB C 42.1 0.4 1 172 48 48 LEU CG C 27.4 0.4 1 173 48 48 LEU CD1 C 23.9 0.4 1 174 48 48 LEU N N 120 0.9 1 175 49 49 LEU C C 178.5 0.4 1 176 49 49 LEU CA C 58.0 0.4 1 177 49 49 LEU CB C 42.1 0.4 1 178 49 49 LEU CG C 27.4 0.4 1 179 49 49 LEU CD1 C 23.9 0.4 1 180 49 49 LEU N N 120 0.9 1 181 50 50 ARG CG C 27.1 0.4 1 182 50 50 ARG CD C 43.8 0.4 1 183 50 50 ARG CZ C 159.6 0.4 1 184 50 50 ARG NE N 83.7 0.9 1 185 50 50 ARG NH1 N 71.1 0.9 2 186 50 50 ARG NH2 N 74.2 0.9 2 187 51 51 THR CB C 71.3 0.4 1 188 51 51 THR CG2 C 22.3 0.4 1 189 53 53 PHE CB C 39.3 0.4 1 190 53 53 PHE CG C 139.9 0.4 1 191 53 53 PHE CD1 C 131.5 0.4 1 192 53 53 PHE CD2 C 131.5 0.4 1 193 54 54 PHE CB C 39.3 0.4 1 194 54 54 PHE CG C 139.9 0.4 1 195 54 54 PHE CD1 C 131.5 0.4 1 196 54 54 PHE CD2 C 131.5 0.4 1 197 55 55 ILE C C 178.1 0.4 1 198 55 55 ILE CA C 65.5 0.4 1 199 55 55 ILE CB C 38.2 0.4 1 200 55 55 ILE CG1 C 29.7 0.4 1 201 55 55 ILE CG2 C 17.6 0.4 1 202 55 55 ILE CD1 C 14.1 0.4 1 203 55 55 ILE N N 117 0.9 1 204 56 56 VAL C C 178.1 0.4 1 205 56 56 VAL CA C 66.6 0.4 1 206 56 56 VAL CB C 31.6 0.4 1 207 56 56 VAL CG1 C 21.9 0.4 1 208 56 56 VAL N N 117 0.9 1 209 57 57 MET C C 178.5 0.4 1 210 57 57 MET CA C 60.1 0.4 1 211 57 57 MET CB C 33.6 0.4 1 212 58 58 GLY C C 175.4 0.4 1 213 58 58 GLY CA C 47.7 0.4 1 214 58 58 GLY N N 107 0.9 1 215 59 59 LEU C C 178.5 0.4 1 216 59 59 LEU CA C 57.8 0.4 1 217 59 59 LEU CB C 42.1 0.4 1 218 59 59 LEU CG C 27.4 0.4 1 219 59 59 LEU CD1 C 23.9 0.4 1 220 59 59 LEU N N 120 0.9 1 221 60 60 VAL C C 178.1 0.4 1 222 60 60 VAL CA C 66.6 0.4 1 223 60 60 VAL CB C 31.6 0.4 1 224 60 60 VAL CG1 C 21.9 0.4 1 225 60 60 VAL N N 117 0.9 1 226 61 61 ASP CA C 57.8 0.4 1 227 62 62 ALA C C 179.3 0.4 1 228 62 62 ALA CA C 55.4 0.4 1 229 62 62 ALA CB C 18.1 0.4 1 230 62 62 ALA N N 120 0.9 1 231 63 63 ILE C C 178.5 0.4 1 232 63 63 ILE CA C 65.9 0.4 1 233 63 63 ILE CB C 38.2 0.4 1 234 63 63 ILE CG1 C 29.7 0.4 1 235 63 63 ILE CG2 C 17.6 0.4 1 236 63 63 ILE CD1 C 14.1 0.4 1 237 63 63 ILE N N 117 0.9 1 238 64 64 PRO CA C 65.2 0.4 1 239 64 64 PRO CD C 49.3 0.4 1 240 64 64 PRO N N 133 0.9 1 241 65 65 MET C C 178.5 0.4 1 242 65 65 MET CA C 58.5 0.4 1 243 66 66 ILE C C 178.5 0.4 1 244 66 66 ILE CA C 64.7 0.4 1 245 66 66 ILE CB C 38.3 0.4 1 246 66 66 ILE CG1 C 29.7 0.4 1 247 66 66 ILE CG2 C 17.6 0.4 1 248 66 66 ILE CD1 C 14.1 0.4 1 249 66 66 ILE N N 117 0.9 1 250 67 67 ALA C C 179.3 0.4 1 251 67 67 ALA CA C 55.4 0.4 1 252 67 67 ALA CB C 18.1 0.4 1 253 67 67 ALA N N 120 0.9 1 254 68 68 VAL C C 178.1 0.4 1 255 68 68 VAL CA C 65.5 0.4 1 256 68 68 VAL CB C 31.6 0.4 1 257 68 68 VAL CG1 C 21.9 0.4 1 258 68 68 VAL N N 117 0.9 1 259 69 69 GLY C C 175.4 0.4 1 260 69 69 GLY CA C 46.9 0.4 1 261 69 69 GLY N N 107 0.9 1 262 70 70 LEU C C 178.5 0.4 1 263 70 70 LEU CA C 57.8 0.4 1 264 70 70 LEU CB C 42.1 0.4 1 265 70 70 LEU CG C 27.4 0.4 1 266 70 70 LEU CD1 C 23.9 0.4 1 267 70 70 LEU N N 120 0.9 1 268 71 71 GLY C C 175.4 0.4 1 269 71 71 GLY CA C 47.7 0.4 1 270 71 71 GLY N N 107 0.9 1 271 72 72 LEU C C 178.5 0.4 1 272 72 72 LEU CA C 57.8 0.4 1 273 72 72 LEU CB C 42.1 0.4 1 274 72 72 LEU CG C 27.4 0.4 1 275 72 72 LEU CD1 C 23.9 0.4 1 276 72 72 LEU N N 120 0.9 1 277 73 73 TYR CB C 37.8 0.4 1 278 73 73 TYR CG C 130.7 0.4 1 279 73 73 TYR CD1 C 132.6 0.4 1 280 73 73 TYR CD2 C 132.6 0.4 1 281 73 73 TYR CE1 C 117.9 0.4 1 282 73 73 TYR CE2 C 117.9 0.4 1 283 74 74 VAL C C 178.1 0.4 1 284 74 74 VAL CA C 66.6 0.4 1 285 74 74 VAL CB C 31.6 0.4 1 286 74 74 VAL CG1 C 21.9 0.4 1 287 75 75 MET CA C 60.1 0.4 1 288 75 75 MET CB C 33.6 0.4 1 289 76 76 PHE CA C 59.7 0.4 1 290 76 76 PHE CB C 43.3 0.4 1 291 76 76 PHE CG C 139.3 0.4 1 292 76 76 PHE CD1 C 131.5 0.4 1 293 76 76 PHE CD2 C 131.5 0.4 1 294 77 77 ALA C C 175.8 0.4 1 295 77 77 ALA CA C 50.8 0.4 1 296 77 77 ALA CB C 21.9 0.4 1 297 78 78 VAL CA C 62.0 0.4 1 298 78 78 VAL CB C 35.5 0.4 1 299 78 78 VAL CG1 C 21.5 0.4 1 stop_ save_