data_16890 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure of G61-101 ; _BMRB_accession_number 16890 _BMRB_flat_file_name bmr16890.str _Entry_type new _Submission_date 2010-04-22 _Accession_date 2010-04-22 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Structure of G61-101' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 S. Rishikesan . . 2 Gruber Gerhard . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 240 "13C chemical shifts" 122 "15N chemical shifts" 43 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-08-19 update BMRB 'complete entry citation' 2010-07-27 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'The NMR solution structure of subunit G (G(61)(-)(101)) of the eukaryotic V1VO ATPase from Saccharomyces cerevisiae.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20599533 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Rishikesan Sankaranarayanan . . 2 Manimekalai Malathy S.S. . 3 Gruber Gerhard . . stop_ _Journal_abbreviation 'Biochim. Biophys. Acta' _Journal_name_full 'Biochimica et biophysica acta' _Journal_volume 1798 _Journal_issue 10 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1961 _Page_last 1968 _Year 2010 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name G61-101 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label G61-101 $G61-101 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_G61-101 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common G61-101 _Molecular_mass 4604.364 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 43 _Mol_residue_sequence ; MDNAGGVGELEKKAEAGVQG ELAEIKKIAEKKKDDVVKIL IET ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 61 MET 2 62 ASP 3 63 ASN 4 64 ALA 5 65 GLY 6 66 GLY 7 67 VAL 8 68 GLY 9 69 GLU 10 70 LEU 11 71 GLU 12 72 LYS 13 73 LYS 14 74 ALA 15 75 GLU 16 76 ALA 17 77 GLY 18 78 VAL 19 79 GLN 20 80 GLY 21 81 GLU 22 82 LEU 23 83 ALA 24 84 GLU 25 85 ILE 26 86 LYS 27 87 LYS 28 88 ILE 29 89 ALA 30 90 GLU 31 91 LYS 32 92 LYS 33 93 LYS 34 94 ASP 35 95 ASP 36 96 VAL 37 97 VAL 38 98 LYS 39 99 ILE 40 100 LEU 41 101 ILE 42 102 GLU 43 103 THR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-13 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 PDB 2KWY "Structure Of G61-101" 100.00 43 100.00 100.00 1.01e-17 PDB 3J9T "Yeast V-atpase State 1" 95.35 114 100.00 100.00 7.92e-06 PDB 3J9U "Yeast V-atpase State 2" 95.35 114 100.00 100.00 7.92e-06 PDB 3J9V "Yeast V-atpase State 3" 95.35 114 100.00 100.00 7.92e-06 PDB 4DL0 "Crystal Structure Of The Heterotrimeric Egchead Peripheral Stalk Complex Of The Yeast Vacuolar Atpase" 95.35 119 100.00 100.00 8.21e-06 PDB 4EFA "Crystal Structure Of The Heterotrimeric Egchead Peripheral Stalk Complex Of The Yeast Vacuolar Atpase - Second Conformation" 95.35 119 100.00 100.00 8.21e-06 DBJ GAA23755 "K7_Vma10p [Saccharomyces cerevisiae Kyokai no. 7]" 95.35 114 100.00 100.00 7.92e-06 EMBL CAY80326 "Vma10p [Saccharomyces cerevisiae EC1118]" 95.35 114 100.00 100.00 7.92e-06 GB AAA74570 "Vma10p [Saccharomyces cerevisiae]" 95.35 114 100.00 100.00 7.92e-06 GB AAB68921 "Vma10p: 13 kDa vacuolar H-ATPase subunit [Saccharomyces cerevisiae]" 95.35 114 100.00 100.00 7.92e-06 GB AHY77737 "Vma10p [Saccharomyces cerevisiae YJM993]" 95.35 114 100.00 100.00 7.92e-06 GB AJP39136 "Vma10p [Saccharomyces cerevisiae YJM1078]" 95.35 114 100.00 100.00 7.92e-06 GB AJU16333 "Vma10p [Saccharomyces cerevisiae YJM1356]" 95.35 114 100.00 100.00 7.92e-06 REF NP_011905 "H(+)-transporting V1 sector ATPase subunit G [Saccharomyces cerevisiae S288c]" 95.35 114 100.00 100.00 7.92e-06 SP P48836 "RecName: Full=V-type proton ATPase subunit G; Short=V-ATPase subunit G; AltName: Full=V-ATPase 13 kDa subunit; AltName: Full=Va" 95.35 114 100.00 100.00 7.92e-06 TPG DAA06731 "TPA: H(+)-transporting V1 sector ATPase subunit G [Saccharomyces cerevisiae S288c]" 95.35 114 100.00 100.00 7.92e-06 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $G61-101 . . . . . . 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 $G61-101 'recombinant technology' . Escherichia coli . pET 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 D2O 7 % 'natural abundance' TFE 30 % '[U-100% 2H]' 'sodium phosphate' 25 mM 'natural abundance' 'sodium chloride' 200 mM 'natural abundance' $G61-101 1 mM '[U-100% 13C; U-100% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version 2.1 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ 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_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'chemical shift calculation' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . 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 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details '25mM Phosphate (pH 6.8), 200mM NaCl' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 200 . mM pH 6.8 . pH pressure 1 . atm temperature 308 . 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 H 1 'methyl protons' ppm 0 internal direct . . . 1.0 DSS C 13 'methyl protons' ppm 0 internal indirect . . . 0.25144954 DSS N 15 'methyl protons' ppm 0 internal indirect . . . 0.10132900 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 1H-15N HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name G61-101 _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 61 1 MET H H 9.304 0.02 1 2 61 1 MET HA H 4.558 0.40 1 3 61 1 MET HB2 H 2.041 0.02 1 4 61 1 MET HB3 H 2.046 0.02 1 5 61 1 MET HG2 H 2.200 0.02 1 6 61 1 MET HG3 H 2.196 0.02 1 7 61 1 MET C C 177.327 0.40 1 8 61 1 MET CA C 56.02 0.40 1 9 61 1 MET CB C 31.74 0.40 1 10 61 1 MET N N 118.41 0.40 1 11 62 2 ASP H H 8.172 0.02 1 12 62 2 ASP HA H 4.707 0.40 1 13 62 2 ASP HB2 H 2.702 0.02 1 14 62 2 ASP HB3 H 2.702 0.02 1 15 62 2 ASP C C 176.3 0.40 1 16 62 2 ASP CA C 54.80 0.40 1 17 62 2 ASP CB C 41.04 0.40 1 18 62 2 ASP N N 120.438 0.40 1 19 63 3 ASN H H 8.161 0.02 1 20 63 3 ASN HA H 4.753 0.02 1 21 63 3 ASN HB2 H 2.825 0.02 1 22 63 3 ASN HB3 H 2.825 0.02 1 23 63 3 ASN CA C 53.60 0.40 1 24 63 3 ASN CB C 38.83 0.40 1 25 63 3 ASN N N 118.157 0.40 1 26 64 4 ALA H H 8.194 0.02 1 27 64 4 ALA HA H 4.267 0.02 1 28 64 4 ALA HB H 1.443 0.02 1 29 64 4 ALA C C 175.16 0.40 1 30 64 4 ALA CA C 53.06 0.40 1 31 64 4 ALA CB C 18.42 0.40 1 32 64 4 ALA N N 123.485 0.40 1 33 65 5 GLY H H 8.118 0.40 1 34 65 5 GLY HA2 H 3.952 0.02 1 35 65 5 GLY HA3 H 3.952 0.40 1 36 65 5 GLY C C 179.821 0.40 1 37 65 5 GLY CA C 46.14 0.40 1 38 65 5 GLY N N 106.493 0.40 1 39 66 6 GLY H H 8.138 0.02 1 40 66 6 GLY HA2 H 3.983 0.40 1 41 66 6 GLY HA3 H 3.983 0.40 1 42 66 6 GLY C C 174.83 0.40 1 43 66 6 GLY CA C 45.27 0.40 1 44 66 6 GLY N N 108.232 0.40 1 45 67 7 VAL H H 7.975 0.02 1 46 67 7 VAL HA H 3.979 0.40 1 47 67 7 VAL HB H 2.114 0.02 1 48 67 7 VAL HG1 H 0.974 0.02 1 49 67 7 VAL HG2 H 0.974 0.02 1 50 67 7 VAL C C 174.628 0.40 1 51 67 7 VAL CA C 63.68 0.40 1 52 67 7 VAL CB C 31.86 0.40 1 53 67 7 VAL N N 119.10 0.40 1 54 68 8 GLY H H 8.450 0.02 1 55 68 8 GLY HA2 H 3.973 0.40 1 56 68 8 GLY HA3 H 3.973 0.40 1 57 68 8 GLY C C 177.007 0.40 1 58 68 8 GLY CA C 46.05 0.40 1 59 68 8 GLY N N 110.427 0.40 1 60 69 9 GLU H H 8.022 0.02 1 61 69 9 GLU HA H 4.133 0.40 1 62 69 9 GLU HB2 H 2.087 0.02 1 63 69 9 GLU HB3 H 2.087 0.02 1 64 69 9 GLU HG2 H 2.350 0.02 1 65 69 9 GLU HG3 H 2.350 0.02 1 66 69 9 GLU C C 175.175 0.40 1 67 69 9 GLU CA C 58.07 0.40 1 68 69 9 GLU CB C 29.52 0.40 1 69 69 9 GLU N N 120.11 0.40 1 70 70 10 LEU H H 8.287 0.02 1 71 70 10 LEU HA H 4.085 0.40 1 72 70 10 LEU HB2 H 1.586 0.02 1 73 70 10 LEU HB3 H 1.584 0.02 1 74 70 10 LEU HD1 H 0.880 0.02 1 75 70 10 LEU HD2 H 0.880 0.02 1 76 70 10 LEU HG H 1.500 0.02 1 77 70 10 LEU C C 178.545 0.40 1 78 70 10 LEU CA C 57.96 0.40 1 79 70 10 LEU CB C 41.53 0.40 1 80 70 10 LEU N N 119.1 0.40 1 81 71 11 GLU H H 8.388 0.02 1 82 71 11 GLU HA H 3.984 0.40 1 83 71 11 GLU HB2 H 2.172 0.02 1 84 71 11 GLU HB3 H 2.172 0.02 1 85 71 11 GLU HG2 H 2.227 0.02 1 86 71 11 GLU HG3 H 2.227 0.02 1 87 71 11 GLU C C 178.621 0.40 1 88 71 11 GLU CA C 59.13 0.40 1 89 71 11 GLU CB C 29.12 0.40 1 90 71 11 GLU N N 118.74 0.40 1 91 72 12 LYS H H 7.781 0.02 1 92 72 12 LYS HA H 4.147 0.40 1 93 72 12 LYS HB2 H 1.884 0.02 1 94 72 12 LYS HB3 H 1.884 0.02 1 95 72 12 LYS HD2 H 1.590 0.02 1 96 72 12 LYS HD3 H 1.590 0.02 1 97 72 12 LYS HG2 H 1.466 0.02 1 98 72 12 LYS HG3 H 1.466 0.02 1 99 72 12 LYS C C 178.208 0.40 1 100 72 12 LYS CA C 58.40 0.40 1 101 72 12 LYS CB C 31.99 0.40 1 102 72 12 LYS N N 118.737 0.40 1 103 73 13 LYS H H 8.267 0.02 1 104 73 13 LYS HA H 4.156 0.40 1 105 73 13 LYS HB2 H 1.918 0.02 1 106 73 13 LYS HB3 H 1.918 0.02 1 107 73 13 LYS HD2 H 1.718 0.02 1 108 73 13 LYS HD3 H 1.718 0.02 1 109 73 13 LYS HG2 H 1.492 0.02 1 110 73 13 LYS HG3 H 1.492 0.02 1 111 73 13 LYS C C 178.328 0.40 1 112 73 13 LYS CA C 58.17 0.40 1 113 73 13 LYS CB C 31.64 0.40 1 114 73 13 LYS N N 119.111 0.40 1 115 74 14 ALA H H 8.293 0.02 1 116 74 14 ALA HA H 4.059 0.40 1 117 74 14 ALA HB H 1.430 0.02 1 118 74 14 ALA C C 178.249 0.40 1 119 74 14 ALA CA C 54.38 0.40 1 120 74 14 ALA CB C 17.70 0.40 1 121 74 14 ALA N N 123.212 0.40 1 122 75 15 GLU H H 7.654 0.02 1 123 75 15 GLU HA H 3.978 0.40 1 124 75 15 GLU HB2 H 2.132 0.02 1 125 75 15 GLU HB3 H 2.131 0.02 1 126 75 15 GLU HG2 H 2.380 0.02 1 127 75 15 GLU HG3 H 2.380 0.02 1 128 75 15 GLU C C 180.219 0.40 1 129 75 15 GLU CA C 58.83 0.40 1 130 75 15 GLU CB C 28.94 0.40 1 131 75 15 GLU N N 117.372 0.40 1 132 76 16 ALA H H 7.962 0.02 1 133 76 16 ALA HA H 4.216 0.40 1 134 76 16 ALA HB H 1.439 0.02 1 135 76 16 ALA C C 177.618 0.40 1 136 76 16 ALA CA C 54.28 0.40 1 137 76 16 ALA CB C 18.15 0.40 1 138 76 16 ALA N N 121.242 0.40 1 139 77 17 GLY H H 8.317 0.02 1 140 77 17 GLY HA2 H 3.929 0.40 1 141 77 17 GLY HA3 H 3.929 0.40 1 142 77 17 GLY C C 178.25 0.40 1 143 77 17 GLY CA C 45.35 0.40 1 144 77 17 GLY N N 106.760 0.40 1 145 78 18 VAL H H 7.99 0.02 1 146 78 18 VAL HA H 3.929 0.40 1 147 78 18 VAL HB H 2.147 0.02 1 148 78 18 VAL HG1 H 0.988 0.02 1 149 78 18 VAL HG2 H 0.988 0.02 1 150 78 18 VAL C C 175.483 0.40 1 151 78 18 VAL CA C 64.88 0.40 1 152 78 18 VAL CB C 31.78 0.40 1 153 78 18 VAL N N 121.26 0.40 1 154 79 19 GLN H H 8.282 0.02 1 155 79 19 GLN HA H 4.112 0.40 1 156 79 19 GLN HB2 H 2.132 0.02 1 157 79 19 GLN HB3 H 2.132 0.02 1 158 79 19 GLN HG2 H 2.388 0.02 1 159 79 19 GLN HG3 H 2.388 0.02 1 160 79 19 GLN C C 177.182 0.40 1 161 79 19 GLN CA C 58.18 0.40 1 162 79 19 GLN CB C 28.15 0.40 1 163 79 19 GLN N N 119.075 0.40 1 164 80 20 GLY H H 8.186 0.02 1 165 80 20 GLY HA2 H 3.917 0.40 1 166 80 20 GLY HA3 H 3.917 0.40 1 167 80 20 GLY C C 178.167 0.40 1 168 80 20 GLY CA C 46.64 0.40 1 169 80 20 GLY N N 106.972 0.40 1 170 81 21 GLU H H 8.120 0.02 1 171 81 21 GLU HA H 4.106 0.40 1 172 81 21 GLU HB2 H 2.090 0.02 1 173 81 21 GLU HB3 H 2.079 0.02 1 174 81 21 GLU HG2 H 2.315 0.02 1 175 81 21 GLU HG3 H 2.315 0.02 1 176 81 21 GLU C C 175.619 0.40 1 177 81 21 GLU CA C 59.14 0.40 1 178 81 21 GLU CB C 29.18 0.40 1 179 81 21 GLU N N 122.274 0.40 1 180 82 22 LEU H H 7.954 0.02 1 181 82 22 LEU HA H 4.071 0.40 1 182 82 22 LEU HB2 H 1.750 0.02 1 183 82 22 LEU HB3 H 1.658 0.02 1 184 82 22 LEU HD1 H 0.865 0.02 1 185 82 22 LEU HD2 H 0.861 0.02 1 186 82 22 LEU HG H 1.658 0.02 1 187 82 22 LEU C C 178.037 0.40 1 188 82 22 LEU CA C 57.86 0.40 1 189 82 22 LEU CB C 41.61 0.40 1 190 82 22 LEU N N 120.406 0.40 1 191 83 23 ALA H H 7.924 0.02 1 192 83 23 ALA HA H 3.939 0.40 1 193 83 23 ALA HB H 1.501 0.02 1 194 83 23 ALA C C 178.749 0.40 1 195 83 23 ALA CA C 54.96 0.40 1 196 83 23 ALA CB C 17.77 0.40 1 197 83 23 ALA N N 119.834 0.40 1 198 84 24 GLU H H 8.141 0.02 1 199 84 24 GLU HA H 4.015 0.40 1 200 84 24 GLU HB2 H 2.127 0.02 1 201 84 24 GLU HB3 H 2.126 0.02 1 202 84 24 GLU HG2 H 1.981 0.02 1 203 84 24 GLU HG3 H 1.981 0.02 1 204 84 24 GLU C C 180.315 0.40 1 205 84 24 GLU CA C 58.77 0.40 1 206 84 24 GLU CB C 29.30 0.40 1 207 84 24 GLU N N 116.559 0.40 1 208 85 25 ILE H H 7.984 0.02 1 209 85 25 ILE HA H 3.717 0.40 1 210 85 25 ILE HB H 1.904 0.02 1 211 85 25 ILE HD1 H 0.877 0.02 1 212 85 25 ILE HG12 H 1.269 0.02 1 213 85 25 ILE HG13 H 1.271 0.02 1 214 85 25 ILE HG2 H 0.875 0.02 1 215 85 25 ILE C C 178.766 0.40 1 216 85 25 ILE CA C 65.12 0.40 1 217 85 25 ILE CB C 37.51 0.40 1 218 85 25 ILE N N 120.151 0.40 1 219 86 26 LYS H H 8.140 0.02 1 220 86 26 LYS HA H 3.908 0.40 1 221 86 26 LYS HB2 H 1.902 0.02 1 222 86 26 LYS HB3 H 1.902 0.02 1 223 86 26 LYS HD2 H 1.696 0.02 1 224 86 26 LYS HD3 H 1.696 0.02 1 225 86 26 LYS HG2 H 1.525 0.02 1 226 86 26 LYS HG3 H 1.525 0.02 1 227 86 26 LYS C C 177.966 0.40 1 228 86 26 LYS CA C 60.01 0.40 1 229 86 26 LYS CB C 32.06 0.40 1 230 86 26 LYS N N 119.350 0.40 1 231 87 27 LYS H H 7.554 0.02 1 232 87 27 LYS HA H 4.055 0.40 1 233 87 27 LYS HB2 H 1.740 0.02 1 234 87 27 LYS HB3 H 1.740 0.02 1 235 87 27 LYS HD2 H 1.667 0.02 1 236 87 27 LYS HD3 H 1.665 0.02 1 237 87 27 LYS HG2 H 1.463 0.02 1 238 87 27 LYS HG3 H 1.463 0.02 1 239 87 27 LYS CA C 59.77 0.40 1 240 87 27 LYS CB C 32.12 0.40 1 241 87 27 LYS N N 117.519 0.40 1 242 88 28 ILE H H 7.907 0.02 1 243 88 28 ILE HA H 3.708 0.40 1 244 88 28 ILE HB H 2.016 0.02 1 245 88 28 ILE HD1 H 0.883 0.02 1 246 88 28 ILE HG12 H 1.136 0.02 1 247 88 28 ILE HG13 H 1.123 0.02 1 248 88 28 ILE HG2 H 0.883 0.02 1 249 88 28 ILE C C 179.392 0.40 1 250 88 28 ILE CA C 65.03 0.40 1 251 88 28 ILE CB C 37.81 0.40 1 252 88 28 ILE N N 120.445 0.40 1 253 89 29 ALA H H 8.509 0.02 1 254 89 29 ALA HA H 4.052 0.40 1 255 89 29 ALA HB H 1.468 0.02 1 256 89 29 ALA C C 178.102 0.40 1 257 89 29 ALA CA C 55.18 0.40 1 258 89 29 ALA CB C 17.41 0.40 1 259 89 29 ALA N N 122.521 0.40 1 260 90 30 GLU H H 8.147 0.02 1 261 90 30 GLU HA H 4.027 0.40 1 262 90 30 GLU HB2 H 2.045 0.02 1 263 90 30 GLU HB3 H 2.045 0.02 1 264 90 30 GLU HG2 H 2.229 0.02 1 265 90 30 GLU HG3 H 2.226 0.02 1 266 90 30 GLU C C 179.313 0.40 1 267 90 30 GLU CA C 58.28 0.40 1 268 90 30 GLU CB C 29.52 0.40 1 269 90 30 GLU N N 118.310 0.40 1 270 91 31 LYS H H 7.801 0.02 1 271 91 31 LYS HA H 4.190 0.40 1 272 91 31 LYS HB2 H 1.815 0.02 1 273 91 31 LYS HB3 H 1.732 0.02 1 274 91 31 LYS HG2 H 1.541 0.02 1 275 91 31 LYS HG3 H 1.541 0.02 1 276 91 31 LYS C C 178.512 0.40 1 277 91 31 LYS CA C 58.37 0.40 1 278 91 31 LYS CB C 31.86 0.40 1 279 91 31 LYS N N 120.349 0.40 1 280 92 32 LYS H H 7.840 0.02 1 281 92 32 LYS HA H 4.164 0.40 1 282 92 32 LYS HB2 H 1.923 0.02 1 283 92 32 LYS HB3 H 1.923 0.02 1 284 92 32 LYS HD2 H 1.694 0.02 1 285 92 32 LYS HD3 H 1.694 0.02 1 286 92 32 LYS HG2 H 1.490 0.02 1 287 92 32 LYS HG3 H 1.490 0.02 1 288 92 32 LYS C C 178.004 0.40 1 289 92 32 LYS CA C 59.25 0.40 1 290 92 32 LYS CB C 31.52 0.40 1 291 92 32 LYS N N 118.929 0.40 1 292 93 33 LYS H H 7.986 0.02 1 293 93 33 LYS HA H 4.155 0.40 1 294 93 33 LYS HB2 H 1.918 0.02 1 295 93 33 LYS HB3 H 1.918 0.02 1 296 93 33 LYS HD2 H 1.645 0.02 1 297 93 33 LYS HD3 H 1.665 0.02 1 298 93 33 LYS HE2 H 2.949 0.02 1 299 93 33 LYS HE3 H 2.949 0.02 1 300 93 33 LYS HG2 H 1.484 0.02 1 301 93 33 LYS HG3 H 1.507 0.02 1 302 93 33 LYS C C 178.529 0.40 1 303 93 33 LYS CA C 58.22 0.40 1 304 93 33 LYS CB C 32.13 0.40 1 305 93 33 LYS N N 120.176 0.40 1 306 94 34 ASP H H 7.969 0.02 1 307 94 34 ASP HA H 4.414 0.40 1 308 94 34 ASP HB2 H 2.829 0.02 1 309 94 34 ASP HB3 H 2.829 0.02 1 310 94 34 ASP C C 177.408 0.40 1 311 94 34 ASP CA C 56.60 0.40 1 312 94 34 ASP CB C 40.94 0.40 1 313 94 34 ASP N N 118.611 0.40 1 314 95 35 ASP H H 8.088 0.02 1 315 95 35 ASP HA H 4.418 0.40 1 316 95 35 ASP HB2 H 2.812 0.02 1 317 95 35 ASP HB3 H 2.631 0.02 1 318 95 35 ASP C C 177.729 0.40 1 319 95 35 ASP CA C 56.60 0.40 1 320 95 35 ASP CB C 40.61 0.40 1 321 95 35 ASP N N 118.945 0.40 1 322 96 36 VAL H H 7.851 0.02 1 323 96 36 VAL HA H 3.662 0.40 1 324 96 36 VAL HB H 2.192 0.02 1 325 96 36 VAL HG1 H 1.036 0.02 1 326 96 36 VAL HG2 H 0.908 0.02 1 327 96 36 VAL C C 177.979 0.40 1 328 96 36 VAL CA C 65.72 0.40 1 329 96 36 VAL CB C 31.40 0.40 1 330 96 36 VAL N N 119.589 0.40 1 331 97 37 VAL H H 8.067 0.02 1 332 97 37 VAL HA H 3.601 0.40 1 333 97 37 VAL HB H 2.169 0.02 1 334 97 37 VAL HG1 H 0.968 0.02 1 335 97 37 VAL HG2 H 0.908 0.02 1 336 97 37 VAL C C 177.452 0.40 1 337 97 37 VAL CA C 66.46 0.40 1 338 97 37 VAL CB C 31.38 0.40 1 339 97 37 VAL N N 119.279 0.40 1 340 98 38 LYS H H 7.653 0.02 1 341 98 38 LYS HA H 4.125 0.40 1 342 98 38 LYS HB2 H 1.912 0.02 1 343 98 38 LYS HB3 H 1.912 0.02 1 344 98 38 LYS HD2 H 1.701 0.02 1 345 98 38 LYS HD3 H 1.701 0.02 1 346 98 38 LYS HE2 H 2.936 0.02 1 347 98 38 LYS HE3 H 2.936 0.02 1 348 98 38 LYS HG2 H 1.532 0.02 1 349 98 38 LYS HG3 H 1.532 0.02 1 350 98 38 LYS C C 177.156 0.40 1 351 98 38 LYS CA C 59.71 0.40 1 352 98 38 LYS CB C 32.13 0.40 1 353 98 38 LYS N N 117.330 0.40 1 354 99 39 ILE H H 7.548 0.02 1 355 99 39 ILE HA H 3.875 0.40 1 356 99 39 ILE HB H 2.018 0.02 1 357 99 39 ILE HD1 H 0.845 0.02 1 358 99 39 ILE HG12 H 1.467 0.02 1 359 99 39 ILE HG13 H 1.467 0.02 1 360 99 39 ILE HG2 H 0.845 0.02 1 361 99 39 ILE C C 178.272 0.40 1 362 99 39 ILE CA C 63.61 0.40 1 363 99 39 ILE CB C 38.06 0.40 1 364 99 39 ILE N N 117.520 0.40 1 365 100 40 LEU H H 8.088 0.02 1 366 100 40 LEU HA H 4.131 0.40 1 367 100 40 LEU HB2 H 1.685 0.02 1 368 100 40 LEU HB3 H 1.685 0.02 1 369 100 40 LEU HD1 H 0.823 0.02 1 370 100 40 LEU HD2 H 0.823 0.02 1 371 100 40 LEU HG H 1.685 0.02 1 372 100 40 LEU C C 178.196 0.40 1 373 100 40 LEU CA C 57.33 0.40 1 374 100 40 LEU CB C 42.19 0.40 1 375 100 40 LEU N N 120.351 0.40 1 376 101 41 ILE H H 8.073 0.02 1 377 101 41 ILE HA H 4.111 0.40 1 378 101 41 ILE HB H 2.014 0.02 1 379 101 41 ILE HD1 H 0.906 0.02 1 380 101 41 ILE HG12 H 1.428 0.02 1 381 101 41 ILE HG13 H 1.428 0.02 1 382 101 41 ILE HG2 H 0.904 0.02 1 383 101 41 ILE C C 179.084 0.40 1 384 101 41 ILE CA C 62.77 0.40 1 385 101 41 ILE CB C 38.45 0.40 1 386 101 41 ILE N N 116.433 0.40 1 387 102 42 GLU H H 7.839 0.02 1 388 102 42 GLU HA H 4.369 0.40 1 389 102 42 GLU HB2 H 2.119 0.02 1 390 102 42 GLU HB3 H 2.119 0.02 1 391 102 42 GLU HG2 H 2.312 0.02 1 392 102 42 GLU HG3 H 2.308 0.02 1 393 102 42 GLU C C 176.895 0.40 1 394 102 42 GLU CA C 56.84 0.40 1 395 102 42 GLU CB C 29.80 0.40 1 396 102 42 GLU N N 120.764 0.40 1 397 103 43 THR H H 7.529 0.02 1 398 103 43 THR HA H 4.281 0.40 1 399 103 43 THR HB H 4.148 0.02 1 400 103 43 THR HG1 H 4.753 0.02 1 401 103 43 THR HG2 H 1.206 0.02 1 402 103 43 THR C C 176.14 0.40 1 403 103 43 THR CA C 63.77 0.40 1 404 103 43 THR CB C 70.96 0.40 1 405 103 43 THR N N 119.309 0.40 1 stop_ save_