data_15940 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Association of subunit d (Vma6p) and E (Vma4p) with G (Vma10p) and the NMR solution structure of subunit G (G1-59) of the Saccharomyces cerevisiae V1VO ATPase ; _BMRB_accession_number 15940 _BMRB_flat_file_name bmr15940.str _Entry_type original _Submission_date 2008-09-04 _Accession_date 2008-09-04 _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 Sankaranarayanan Rishikesan . . 2 Gayen Shovanlal . . 3 Thaker 'Youg raj' . . 4 Subramanian Vivekanandan . . 5 Manimekalai Malathy S.S. . 6 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" 344 "13C chemical shifts" 237 "15N chemical shifts" 55 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-27 update BMRB 'update entity/assembly name' 2009-04-27 update BMRB 'complete entry citation' 2009-03-20 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'Assembly of subunit d (Vma6p) and G (Vma10p) and the NMR solution structure of subunit G (G(1-59)) of the Saccharomyces cerevisiae V(1)V(O) ATPase' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19344662 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Rishikesan Sankaranarayanan . . 2 Gayen Shovanlal . . 3 Thaker 'Youg raj' . . 4 Vivekanandan Subramanian . . 5 Manimekalai Malathy S.S. . 6 Yau Yin H. . 7 Shochata Susana G. . 8 Gruber Gerhard . . stop_ _Journal_abbreviation 'Biochim. Biophys Acta.' _Journal_volume 1787 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 242 _Page_last 251 _Year 2009 _Details . loop_ _Keyword 'subunit d' 'subunit E' 'subunit G' 'V1 ATPase' 'V1Vo ATPase' 'Vacuolar-type ATPase' Vma10p Vma6p Vma7p stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Saccharomyces cerevisiae V(1)V(O) ATPase' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'subunit G' $entity 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_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'subunit G' _Molecular_mass 6969.088 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 60 _Mol_residue_sequence ; MVSQKNGIATLLQAEKEAHE IVSKARKYRQDKLKQAKTDA AKEIDSYKIQKDKELKEFEC ; loop_ _Residue_seq_code _Residue_label 1 MET 2 VAL 3 SER 4 GLN 5 LYS 6 ASN 7 GLY 8 ILE 9 ALA 10 THR 11 LEU 12 LEU 13 GLN 14 ALA 15 GLU 16 LYS 17 GLU 18 ALA 19 HIS 20 GLU 21 ILE 22 VAL 23 SER 24 LYS 25 ALA 26 ARG 27 LYS 28 TYR 29 ARG 30 GLN 31 ASP 32 LYS 33 LEU 34 LYS 35 GLN 36 ALA 37 LYS 38 THR 39 ASP 40 ALA 41 ALA 42 LYS 43 GLU 44 ILE 45 ASP 46 SER 47 TYR 48 LYS 49 ILE 50 GLN 51 LYS 52 ASP 53 LYS 54 GLU 55 LEU 56 LYS 57 GLU 58 PHE 59 GLU 60 CYS 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 2K88 "Association Of Subunit D (Vma6p) And E (Vma4p) With G (Vma10p) And The Nmr Solution Structure Of Subunit G (G1- 59) Of The Sacc" 100.00 60 100.00 100.00 1.23e-32 PDB 3J9T "Yeast V-atpase State 1" 96.67 114 98.28 100.00 1.88e-29 PDB 3J9U "Yeast V-atpase State 2" 96.67 114 98.28 100.00 1.88e-29 PDB 3J9V "Yeast V-atpase State 3" 96.67 114 98.28 100.00 1.88e-29 PDB 4DL0 "Crystal Structure Of The Heterotrimeric Egchead Peripheral Stalk Complex Of The Yeast Vacuolar Atpase" 96.67 119 98.28 100.00 1.62e-29 PDB 4EFA "Crystal Structure Of The Heterotrimeric Egchead Peripheral Stalk Complex Of The Yeast Vacuolar Atpase - Second Conformation" 96.67 119 98.28 100.00 1.62e-29 DBJ GAA23755 "K7_Vma10p [Saccharomyces cerevisiae Kyokai no. 7]" 96.67 114 98.28 100.00 1.88e-29 EMBL CAY80326 "Vma10p [Saccharomyces cerevisiae EC1118]" 96.67 114 98.28 100.00 1.88e-29 GB AAA74570 "Vma10p [Saccharomyces cerevisiae]" 96.67 114 98.28 100.00 1.88e-29 GB AAB68921 "Vma10p: 13 kDa vacuolar H-ATPase subunit [Saccharomyces cerevisiae]" 96.67 114 98.28 100.00 1.88e-29 GB AHY77737 "Vma10p [Saccharomyces cerevisiae YJM993]" 96.67 114 98.28 100.00 1.88e-29 GB AJP39136 "Vma10p [Saccharomyces cerevisiae YJM1078]" 96.67 114 98.28 100.00 1.88e-29 GB AJU16333 "Vma10p [Saccharomyces cerevisiae YJM1356]" 96.67 114 98.28 100.00 1.88e-29 REF NP_011905 "H(+)-transporting V1 sector ATPase subunit G [Saccharomyces cerevisiae S288c]" 96.67 114 98.28 100.00 1.88e-29 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" 96.67 114 98.28 100.00 1.88e-29 TPG DAA06731 "TPA: H(+)-transporting V1 sector ATPase subunit G [Saccharomyces cerevisiae S288c]" 96.67 114 98.28 100.00 1.88e-29 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity 'baker's yeast' 4932 Eukaryota Fungi Saccharomyces cerevisiae 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 'recombinant technology' . Escherichia coli Bl21 pET9d stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '1mM sample in 25 mM phosphate buffer, pH 6.8, U-13C; U-15N' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 1 mM '[U-13C; U-15N]' 'sodium phosphate' 25 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version 3.0 loop_ _Vendor _Address _Electronic_address 'P.GUNTERT ET AL.' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task 'data acuisition and processing' stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_Molmol _Saveframe_category software _Name Molmol _Version . loop_ _Vendor _Address _Electronic_address 'Koradi, Billeter and Wuthrich' . . stop_ loop_ _Task 'viewing the final structure' 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_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C 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_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details '25 mM sodium phosphate buffer, pH 6.8, 288K' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 25 . mM pH 6.8 . pH pressure 1 . atm temperature 288 . 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 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . 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 1H-15N HSQC' '3D HNCACB' '3D H(CCO)NH' '3D C(CO)NH' '3D 1H-15N NOESY' '3D 1H-13C NOESY' 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 'subunit G' _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 1 1 MET H H 8.514 0.020 1 2 1 1 MET HA H 4.292 0.400 1 3 1 1 MET HB2 H 1.839 0.020 2 4 1 1 MET HB3 H 1.839 0.020 2 5 1 1 MET HG2 H 2.384 0.020 2 6 1 1 MET HG3 H 2.384 0.020 2 7 1 1 MET C C 176.25 0.400 1 8 1 1 MET CA C 55.404 0.400 1 9 1 1 MET CB C 32.698 0.400 1 10 1 1 MET CG C 32.000 0.400 1 11 1 1 MET N N 121.20 0.400 1 12 2 2 VAL H H 8.075 0.020 1 13 2 2 VAL HA H 3.959 0.400 1 14 2 2 VAL HG1 H 0.723 0.020 2 15 2 2 VAL HG2 H 0.709 0.020 2 16 2 2 VAL C C 176.01 0.400 1 17 2 2 VAL CA C 62.19 0.400 1 18 2 2 VAL CB C 32.26 0.400 1 19 2 2 VAL CG1 C 20.64 0.400 2 20 2 2 VAL CG2 C 26.24 0.400 2 21 2 2 VAL N N 121.9 0.400 1 22 3 3 SER H H 8.287 0.020 1 23 3 3 SER HA H 4.243 0.400 1 24 3 3 SER HB2 H 3.644 0.020 2 25 3 3 SER HB3 H 3.644 0.020 2 26 3 3 SER C C 174.47 0.400 1 27 3 3 SER CA C 58.33 0.400 1 28 3 3 SER CB C 63.69 0.400 1 29 3 3 SER N N 119.60 0.400 1 30 4 4 GLN H H 8.343 0.020 1 31 4 4 GLN HA H 4.171 0.400 1 32 4 4 GLN HB2 H 1.816 0.020 2 33 4 4 GLN HB3 H 1.816 0.020 2 34 4 4 GLN HG2 H 2.161 0.020 2 35 4 4 GLN HG3 H 2.161 0.020 2 36 4 4 GLN C C 176.01 0.400 1 37 4 4 GLN CA C 55.72 0.400 1 38 4 4 GLN CB C 29.35 0.400 1 39 4 4 GLN CG C 33.65 0.400 1 40 4 4 GLN N N 122.80 0.400 1 41 5 5 LYS H H 8.260 0.020 1 42 5 5 LYS HA H 4.076 0.400 1 43 5 5 LYS HB2 H 1.600 0.020 2 44 5 5 LYS HB3 H 1.600 0.020 2 45 5 5 LYS HD2 H 1.506 0.020 2 46 5 5 LYS HD3 H 1.506 0.020 2 47 5 5 LYS HE2 H 2.775 0.020 2 48 5 5 LYS HE3 H 2.775 0.020 2 49 5 5 LYS HG2 H 1.207 0.020 2 50 5 5 LYS HG3 H 1.207 0.020 2 51 5 5 LYS C C 176.42 0.400 1 52 5 5 LYS CA C 56.63 0.400 1 53 5 5 LYS CB C 32.78 0.400 1 54 5 5 LYS CD C 29.09 0.400 1 55 5 5 LYS CE C 41.97 0.400 1 56 5 5 LYS CG C 24.69 0.400 1 57 5 5 LYS N N 122.50 0.400 1 58 6 6 ASN H H 8.338 0.020 1 59 6 6 ASN HA H 4.496 0.400 1 60 6 6 ASN HB2 H 2.608 0.020 2 61 6 6 ASN HB3 H 2.608 0.020 2 62 6 6 ASN C C 175.64 0.400 1 63 6 6 ASN CA C 53.30 0.400 1 64 6 6 ASN CB C 38.71 0.400 1 65 6 6 ASN N N 119.50 0.400 1 66 7 7 GLY H H 8.220 0.020 1 67 7 7 GLY HA2 H 3.735 0.400 2 68 7 7 GLY HA3 H 3.735 0.400 2 69 7 7 GLY C C 174.14 0.400 1 70 7 7 GLY CA C 45.51 0.400 1 71 7 7 GLY N N 109.00 0.400 1 72 8 8 ILE H H 7.828 0.020 1 73 8 8 ILE HA H 3.934 0.400 1 74 8 8 ILE HB H 1.684 0.020 1 75 8 8 ILE HD1 H 0.702 0.020 1 76 8 8 ILE HG12 H 1.254 0.020 2 77 8 8 ILE HG13 H 0.983 0.020 2 78 8 8 ILE C C 176.27 0.400 1 79 8 8 ILE CA C 61.34 0.400 1 80 8 8 ILE CB C 38.41 0.400 1 81 8 8 ILE CD1 C 12.92 0.400 1 82 8 8 ILE CG1 C 28.03 0.400 1 83 8 8 ILE CG2 C 17.66 0.400 1 84 8 8 ILE N N 120.30 0.400 1 85 9 9 ALA H H 8.268 0.020 1 86 9 9 ALA HA H 3.934 0.020 1 87 9 9 ALA HB H 1.209 0.020 1 88 9 9 ALA C C 178.40 0.400 1 89 9 9 ALA CA C 53.17 0.400 1 90 9 9 ALA CB C 18.81 0.400 1 91 9 9 ALA N N 127.40 0.400 1 92 10 10 THR H H 7.922 0.020 1 93 10 10 THR HA H 4.173 0.400 1 94 10 10 THR HB H 4.020 0.020 1 95 10 10 THR HG1 H 4.842 0.020 1 96 10 10 THR C C 174.85 0.400 1 97 10 10 THR CA C 62.69 0.400 1 98 10 10 THR CB C 69.57 0.400 1 99 10 10 THR CG2 C 21.75 0.400 1 100 10 10 THR N N 114.00 0.400 1 101 11 11 LEU H H 7.893 0.020 1 102 11 11 LEU HA H 4.087 0.020 1 103 11 11 LEU HB2 H 1.451 0.020 2 104 11 11 LEU HB3 H 1.451 0.020 2 105 11 11 LEU HD1 H 0.680 0.020 2 106 11 11 LEU HD2 H 0.680 0.020 2 107 11 11 LEU HG H 1.421 0.020 1 108 11 11 LEU C C 177.73 0.400 1 109 11 11 LEU CA C 55.93 0.400 1 110 11 11 LEU CB C 42.10 0.400 1 111 11 11 LEU N N 124.50 0.400 1 112 12 12 LEU HA H 4.075 0.400 1 113 12 12 LEU HB2 H 1.455 0.020 2 114 12 12 LEU HB3 H 1.455 0.020 2 115 12 12 LEU HD1 H 0.694 0.020 2 116 12 12 LEU HD2 H 0.694 0.020 2 117 12 12 LEU HG H 1.405 0.020 1 118 12 12 LEU CD1 C 23.44 0.400 2 119 12 12 LEU CD2 C 23.44 0.400 2 120 12 12 LEU CG C 26.92 0.400 1 121 13 13 GLN H H 8.091 0.400 1 122 13 13 GLN HA H 3.989 0.400 1 123 13 13 GLN HB2 H 2.020 0.020 2 124 13 13 GLN HB3 H 2.020 0.020 2 125 13 13 GLN HG2 H 2.073 0.020 2 126 13 13 GLN HG3 H 2.073 0.020 2 127 13 13 GLN C C 176.37 0.400 1 128 13 13 GLN CB C 28.84 0.400 1 129 13 13 GLN CG C 33.37 0.400 1 130 13 13 GLN N N 121.10 0.400 1 131 14 14 ALA H H 8.114 0.020 1 132 14 14 ALA HA H 3.962 0.400 1 133 14 14 ALA HB H 1.229 0.020 1 134 14 14 ALA C C 178.98 0.400 1 135 14 14 ALA CA C 53.41 0.400 1 136 14 14 ALA CB C 18.55 0.400 1 137 14 14 ALA N N 123.90 0.400 1 138 15 15 GLU H H 7.979 0.020 1 139 15 15 GLU HA H 3.981 0.400 1 140 15 15 GLU HB2 H 1.870 0.020 2 141 15 15 GLU HB3 H 1.870 0.020 2 142 15 15 GLU HG2 H 1.956 0.020 2 143 15 15 GLU HG3 H 1.956 0.020 2 144 15 15 GLU C C 177.00 0.400 1 145 15 15 GLU CA C 58.75 0.400 1 146 15 15 GLU CB C 30.34 0.400 1 147 15 15 GLU CG C 36.38 0.400 1 148 15 15 GLU N N 119.90 0.400 1 149 16 16 LYS H H 8.029 0.020 1 150 16 16 LYS HA H 3.981 0.400 1 151 16 16 LYS HB2 H 1.668 0.020 2 152 16 16 LYS HB3 H 1.668 0.020 2 153 16 16 LYS HD2 H 1.472 0.020 2 154 16 16 LYS HD3 H 1.472 0.020 2 155 16 16 LYS HE2 H 2.786 0.020 2 156 16 16 LYS HE3 H 2.786 0.020 2 157 16 16 LYS HG2 H 1.243 0.020 2 158 16 16 LYS HG3 H 1.243 0.020 2 159 16 16 LYS C C 177.65 0.400 1 160 16 16 LYS CA C 57.62 0.400 1 161 16 16 LYS CB C 32.697 0.400 1 162 16 16 LYS CD C 29.32 0.400 1 163 16 16 LYS CE C 42.07 0.400 1 164 16 16 LYS CG C 24.91 0.400 1 165 16 16 LYS N N 121.60 0.400 1 166 17 17 GLU H H 8.158 0.020 1 167 17 17 GLU HA H 3.967 0.400 1 168 17 17 GLU HB2 H 1.840 0.020 2 169 17 17 GLU HB3 H 1.840 0.020 2 170 17 17 GLU HG2 H 2.033 0.020 2 171 17 17 GLU HG3 H 2.033 0.020 2 172 17 17 GLU C C 177.198 0.400 1 173 17 17 GLU CA C 57.399 0.400 1 174 17 17 GLU CB C 29.704 0.400 1 175 17 17 GLU CG C 36.40 0.400 1 176 17 17 GLU N N 120.70 0.400 1 177 18 18 ALA H H 8.009 0.020 1 178 18 18 ALA HA H 4.053 0.400 1 179 18 18 ALA HB H 1.227 0.020 1 180 18 18 ALA C C 178.586 0.400 1 181 18 18 ALA CA C 53.485 0.400 1 182 18 18 ALA CB C 18.472 0.400 1 183 18 18 ALA N N 123.50 0.400 1 184 19 19 HIS H H 8.103 0.020 1 185 19 19 HIS C C 177.454 0.400 1 186 19 19 HIS CA C 57.511 0.400 1 187 19 19 HIS CB C 29.807 0.400 1 188 19 19 HIS N N 119.70 0.400 1 189 20 20 GLU HA H 4.101 0.400 1 190 21 21 ILE H H 7.966 0.020 1 191 21 21 ILE HA H 3.782 0.400 1 192 21 21 ILE HB H 1.718 0.020 1 193 21 21 ILE HD1 H 0.721 0.020 1 194 21 21 ILE HG12 H 1.385 0.020 2 195 21 21 ILE HG13 H 1.720 0.020 2 196 21 21 ILE CA C 59.710 0.400 1 197 21 21 ILE CB C 35.350 0.400 1 198 21 21 ILE CD1 C 12.84 0.400 1 199 21 21 ILE CG1 C 27.85 0.400 1 200 21 21 ILE CG2 C 17.40 0.400 1 201 22 22 VAL H H 7.832 0.020 1 202 22 22 VAL HA H 3.786 0.040 1 203 22 22 VAL HB H 1.883 0.020 1 204 22 22 VAL HG1 H 0.760 0.020 2 205 22 22 VAL HG2 H 0.760 0.020 2 206 22 22 VAL C C 177.086 0.400 1 207 22 22 VAL CA C 63.825 0.400 1 208 22 22 VAL CB C 32.185 0.400 1 209 22 22 VAL CG1 C 21.14 0.400 2 210 22 22 VAL CG2 C 26.74 0.400 2 211 22 22 VAL N N 122.90 0.400 1 212 23 23 SER H H 8.164 0.020 1 213 23 23 SER HA H 4.103 0.400 1 214 23 23 SER HB2 H 3.823 0.020 2 215 23 23 SER HB3 H 3.823 0.020 2 216 23 23 SER C C 175.636 0.400 1 217 23 23 SER CA C 59.496 0.400 1 218 23 23 SER CB C 63.230 0.400 1 219 23 23 SER N N 118.30 0.400 1 220 24 24 LYS H H 8.154 0.020 1 221 24 24 LYS HA H 3.988 0.400 1 222 24 24 LYS HB2 H 1.644 0.020 2 223 24 24 LYS HB3 H 1.644 0.020 2 224 24 24 LYS HD2 H 1.376 0.020 2 225 24 24 LYS HD3 H 1.376 0.020 2 226 24 24 LYS HE2 H 2.778 0.020 2 227 24 24 LYS HE3 H 2.778 0.020 2 228 24 24 LYS HG2 H 1.353 0.020 2 229 24 24 LYS HG3 H 1.353 0.020 2 230 24 24 LYS C C 177.215 0.400 1 231 24 24 LYS CA C 57.614 0.400 1 232 24 24 LYS CB C 32.546 0.400 1 233 24 24 LYS CD C 29.35 0.400 1 234 24 24 LYS CE C 42.09 0.400 1 235 24 24 LYS CG C 25.21 0.400 1 236 24 24 LYS N N 123.10 0.400 1 237 25 25 ALA H H 7.890 0.020 1 238 25 25 ALA HA H 3.986 0.400 1 239 25 25 ALA HB H 1.213 0.020 1 240 25 25 ALA C C 178.696 0.400 1 241 25 25 ALA CA C 53.394 0.400 1 242 25 25 ALA CB C 18.522 0.400 1 243 25 25 ALA N N 123.20 0.400 1 244 26 26 ARG H H 8.068 0.020 1 245 26 26 ARG HA H 4.342 0.400 1 246 26 26 ARG HB2 H 1.859 0.020 2 247 26 26 ARG HB3 H 1.859 0.020 2 248 26 26 ARG HD2 H 3.007 0.020 2 249 26 26 ARG HD3 H 3.007 0.020 2 250 26 26 ARG C C 175.982 0.400 1 251 26 26 ARG CA C 56.971 0.400 1 252 26 26 ARG CB C 29.720 0.400 1 253 26 26 ARG N N 117.50 0.400 1 254 27 27 LYS HA H 3.990 0.400 1 255 27 27 LYS HB2 H 1.535 0.020 2 256 27 27 LYS HB3 H 1.535 0.020 2 257 27 27 LYS HD2 H 1.492 0.020 2 258 27 27 LYS HD3 H 1.492 0.020 2 259 27 27 LYS HE2 H 2.789 0.020 2 260 27 27 LYS HE3 H 2.789 0.020 2 261 27 27 LYS HG2 H 1.282 0.020 2 262 27 27 LYS HG3 H 1.282 0.020 2 263 27 27 LYS CD C 29.12 0.400 1 264 27 27 LYS CE C 41.90 0.400 1 265 27 27 LYS CG C 24.74 0.400 1 266 28 28 TYR H H 7.984 0.020 1 267 28 28 TYR HA H 4.298 0.400 1 268 28 28 TYR HB2 H 2.841 0.020 2 269 28 28 TYR HB3 H 2.841 0.020 2 270 28 28 TYR HD1 H 6.926 0.020 3 271 28 28 TYR HD2 H 6.926 0.020 3 272 28 28 TYR C C 176.337 0.400 1 273 28 28 TYR CA C 57.163 0.400 1 274 28 28 TYR CB C 38.437 0.400 1 275 28 28 TYR N N 120.20 0.400 1 276 29 29 ARG H H 7.942 0.020 1 277 29 29 ARG HA H 4.050 0.400 1 278 29 29 ARG HB2 H 1.452 0.020 2 279 29 29 ARG HB3 H 1.452 0.020 2 280 29 29 ARG HD2 H 2.771 0.020 2 281 29 29 ARG HD3 H 2.771 0.020 2 282 29 29 ARG HG2 H 1.109 0.020 2 283 29 29 ARG HG3 H 1.109 0.020 2 284 29 29 ARG C C 177.389 0.400 1 285 29 29 ARG CA C 57.103 0.400 1 286 29 29 ARG CB C 30.483 0.400 1 287 29 29 ARG CD C 42.06 0.400 1 288 29 29 ARG CG C 29.06 0.400 1 289 29 29 ARG N N 121.60 0.400 1 290 30 30 GLN H H 8.404 0.020 1 291 30 30 GLN HA H 3.992 0.020 1 292 30 30 GLN HB2 H 1.889 0.020 2 293 30 30 GLN HB3 H 1.889 0.020 2 294 30 30 GLN HG2 H 2.207 0.020 2 295 30 30 GLN HG3 H 2.207 0.020 2 296 30 30 GLN C C 174.618 0.400 1 297 30 30 GLN CB C 30.281 0.400 1 298 30 30 GLN CG C 33.84 0.400 1 299 30 30 GLN N N 121.10 0.400 1 300 31 31 ASP H H 8.323 0.020 1 301 31 31 ASP HA H 4.320 0.400 1 302 31 31 ASP HB2 H 2.476 0.020 2 303 31 31 ASP HB3 H 2.476 0.020 2 304 31 31 ASP C C 177.102 0.400 1 305 31 31 ASP CA C 55.128 0.400 1 306 31 31 ASP CB C 40.571 0.400 1 307 31 31 ASP N N 121.50 0.400 1 308 32 32 LYS H H 7.962 0.020 1 309 32 32 LYS HA H 3.989 0.400 1 310 32 32 LYS HB2 H 1.588 0.020 2 311 32 32 LYS HB3 H 1.588 0.020 2 312 32 32 LYS HD2 H 1.466 0.020 2 313 32 32 LYS HD3 H 1.466 0.020 2 314 32 32 LYS HE2 H 2.750 0.020 2 315 32 32 LYS HE3 H 2.750 0.020 2 316 32 32 LYS HG2 H 1.212 0.020 2 317 32 32 LYS HG3 H 1.212 0.020 2 318 32 32 LYS C C 176.840 0.400 1 319 32 32 LYS CA C 56.910 0.400 1 320 32 32 LYS CB C 32.755 0.400 1 321 32 32 LYS CD C 28.80 0.400 1 322 32 32 LYS CE C 42.01 0.400 1 323 32 32 LYS CG C 24.74 0.400 1 324 32 32 LYS N N 120.90 0.400 1 325 33 33 LEU H H 7.900 0.020 1 326 33 33 LEU HA H 4.043 0.400 1 327 33 33 LEU HB2 H 1.446 0.020 2 328 33 33 LEU HB3 H 1.446 0.020 2 329 33 33 LEU HD1 H 0.680 0.020 2 330 33 33 LEU HD2 H 0.680 0.020 2 331 33 33 LEU HG H 1.412 0.020 1 332 33 33 LEU C C 177.946 0.400 1 333 33 33 LEU CA C 55.906 0.400 1 334 33 33 LEU CB C 41.987 0.400 1 335 33 33 LEU CG C 27.02 0.400 1 336 33 33 LEU N N 121.50 0.400 1 337 34 34 LYS H H 7.911 0.020 1 338 34 34 LYS HA H 4.003 0.400 1 339 34 34 LYS HB2 H 1.623 0.020 2 340 34 34 LYS HB3 H 1.623 0.020 2 341 34 34 LYS HD2 H 1.371 0.020 2 342 34 34 LYS HD3 H 1.371 0.020 2 343 34 34 LYS HE2 H 2.781 0.020 2 344 34 34 LYS HE3 H 2.781 0.020 2 345 34 34 LYS HG2 H 1.210 0.020 2 346 34 34 LYS HG3 H 1.210 0.020 2 347 34 34 LYS C C 176.990 0.400 1 348 34 34 LYS CA C 57.018 0.400 1 349 34 34 LYS CB C 32.549 0.400 1 350 34 34 LYS CD C 29.13 0.400 1 351 34 34 LYS CE C 41.99 0.400 1 352 34 34 LYS CG C 24.80 0.400 1 353 34 34 LYS N N 121.20 0.400 1 354 35 35 GLN H H 8.044 0.020 1 355 35 35 GLN HA H 4.049 0.400 1 356 35 35 GLN HB2 H 1.850 0.020 2 357 35 35 GLN HB3 H 1.850 0.020 2 358 35 35 GLN HG2 H 2.175 0.020 2 359 35 35 GLN HG3 H 2.175 0.020 2 360 35 35 GLN C C 175.849 0.400 1 361 35 35 GLN CA C 56.171 0.400 1 362 35 35 GLN CB C 29.196 0.400 1 363 35 35 GLN CG C 33.72 0.400 1 364 35 35 GLN N N 120.80 0.400 1 365 36 36 ALA H H 8.108 0.020 1 366 36 36 ALA HA H 3.993 0.400 1 367 36 36 ALA HB H 1.212 0.020 1 368 36 36 ALA C C 178.151 0.400 1 369 36 36 ALA CA C 52.919 0.400 1 370 36 36 ALA CB C 18.864 0.400 1 371 36 36 ALA N N 124.90 0.400 1 372 37 37 LYS H H 8.145 0.020 1 373 37 37 LYS HA H 4.128 0.400 1 374 37 37 LYS HB2 H 1.658 0.020 2 375 37 37 LYS HB3 H 1.658 0.020 2 376 37 37 LYS HD2 H 1.510 0.020 2 377 37 37 LYS HD3 H 1.510 0.020 2 378 37 37 LYS HE2 H 2.791 0.020 2 379 37 37 LYS HE3 H 2.791 0.020 2 380 37 37 LYS HG2 H 1.240 0.020 2 381 37 37 LYS HG3 H 1.240 0.020 2 382 37 37 LYS C C 177.255 0.400 1 383 37 37 LYS CA C 56.859 0.400 1 384 37 37 LYS CB C 32.828 0.400 1 385 37 37 LYS CD C 29.12 0.400 1 386 37 37 LYS CE C 41.92 0.400 1 387 37 37 LYS CG C 24.75 0.400 1 388 37 37 LYS N N 120.60 0.400 1 389 38 38 THR H H 8.024 0.020 1 390 38 38 THR HA H 4.094 0.400 1 391 38 38 THR HB H 4.022 0.020 1 392 38 38 THR C C 174.629 0.400 1 393 38 38 THR CA C 62.421 0.400 1 394 38 38 THR CB C 69.674 0.400 1 395 38 38 THR CG2 C 21.58 0.400 1 396 38 38 THR N N 115.40 0.400 1 397 39 39 ASP H H 8.251 0.020 1 398 39 39 ASP HA H 4.358 0.400 1 399 39 39 ASP HB2 H 2.477 0.020 2 400 39 39 ASP HB3 H 2.477 0.020 2 401 39 39 ASP C C 174.600 0.400 1 402 39 39 ASP CA C 54.933 0.400 1 403 39 39 ASP CB C 40.714 0.400 1 404 39 39 ASP N N 122.70 0.400 1 405 40 40 ALA H H 8.025 0.020 1 406 40 40 ALA HA H 4.020 0.400 1 407 40 40 ALA HB H 1.216 0.020 1 408 40 40 ALA C C 177.988 0.400 1 409 40 40 ALA CA C 53.095 0.400 1 410 40 40 ALA CB C 18.758 0.400 1 411 40 40 ALA N N 124.30 0.400 1 412 41 41 ALA H H 7.989 0.020 1 413 41 41 ALA HA H 4.061 0.400 1 414 41 41 ALA HB H 1.216 0.020 1 415 41 41 ALA C C 178.060 0.400 1 416 41 41 ALA CA C 53.042 0.400 1 417 41 41 ALA CB C 18.673 0.400 1 418 41 41 ALA N N 122.30 0.400 1 419 42 42 LYS H H 7.909 0.020 1 420 42 42 LYS HA H 4.005 0.400 1 421 42 42 LYS HB2 H 1.630 0.020 2 422 42 42 LYS HB3 H 1.630 0.020 2 423 42 42 LYS HD2 H 1.450 0.020 2 424 42 42 LYS HD3 H 1.450 0.020 2 425 42 42 LYS HE2 H 2.861 0.020 2 426 42 42 LYS HE3 H 2.861 0.020 2 427 42 42 LYS HG2 H 1.229 0.020 2 428 42 42 LYS HG3 H 1.229 0.020 2 429 42 42 LYS C C 176.942 0.400 1 430 42 42 LYS CA C 56.705 0.400 1 431 42 42 LYS CB C 32.869 0.400 1 432 42 42 LYS CD C 29.07 0.400 1 433 42 42 LYS CE C 41.88 0.400 1 434 42 42 LYS CG C 24.70 0.400 1 435 42 42 LYS N N 119.60 0.400 1 436 43 43 GLU H H 8.126 0.020 1 437 43 43 GLU HA H 4.214 0.40 1 438 43 43 GLU HB2 H 2.292 0.020 2 439 43 43 GLU HB3 H 2.292 0.020 2 440 43 43 GLU HG2 H 2.580 0.020 2 441 43 43 GLU HG3 H 2.580 0.020 2 442 43 43 GLU C C 176.587 0.400 1 443 43 43 GLU CA C 56.854 0.400 1 444 43 43 GLU CB C 29.876 0.400 1 445 43 43 GLU CG C 36.16 0.400 1 446 43 43 GLU N N 121.00 0.400 1 447 44 44 ILE H H 7.974 0.020 1 448 44 44 ILE HA H 3.987 0.400 1 449 44 44 ILE HB H 2.222 0.020 1 450 44 44 ILE HD1 H 0.692 0.020 1 451 44 44 ILE HG12 H 1.274 0.020 2 452 44 44 ILE HG13 H 1.670 0.020 2 453 44 44 ILE C C 177.542 0.400 1 454 44 44 ILE CA C 61.831 0.400 1 455 44 44 ILE CB C 38.559 0.400 1 456 44 44 ILE CD1 C 13.01 0.400 1 457 44 44 ILE CG1 C 28.06 0.400 1 458 44 44 ILE CG2 C 17.61 0.400 1 459 44 44 ILE N N 121.30 0.400 1 460 45 45 ASP H H 8.187 0.020 1 461 45 45 ASP HA H 4.401 0.400 1 462 45 45 ASP HB2 H 2.444 0.020 2 463 45 45 ASP HB3 H 2.444 0.020 2 464 45 45 ASP C C 176.675 0.400 1 465 45 45 ASP CA C 54.853 0.400 1 466 45 45 ASP CB C 40.788 0.400 1 467 45 45 ASP N N 123.60 0.400 1 468 46 46 SER H H 8.036 0.020 1 469 46 46 SER HA H 4.067 0.400 1 470 46 46 SER HB2 H 3.723 0.020 2 471 46 46 SER HB3 H 3.723 0.020 2 472 46 46 SER C C 174.852 0.400 1 473 46 46 SER CA C 59.494 0.400 1 474 46 46 SER CB C 63.332 0.400 1 475 46 46 SER N N 116.50 0.400 1 476 47 47 TYR H H 7.937 0.020 1 477 47 47 TYR HA H 4.263 0.400 1 478 47 47 TYR HB2 H 2.862 0.020 2 479 47 47 TYR HB3 H 2.862 0.020 2 480 47 47 TYR C C 175.992 0.400 1 481 47 47 TYR CA C 58.867 0.400 1 482 47 47 TYR CB C 38.066 0.400 1 483 47 47 TYR N N 121.70 0.400 1 484 48 48 LYS H H 7.713 0.020 1 485 48 48 LYS HA H 3.954 0.400 1 486 48 48 LYS HB2 H 1.550 0.020 2 487 48 48 LYS HB3 H 1.550 0.020 2 488 48 48 LYS HD2 H 1.492 0.020 2 489 48 48 LYS HD3 H 1.492 0.020 2 490 48 48 LYS HE2 H 2.792 0.020 2 491 48 48 LYS HE3 H 2.792 0.020 2 492 48 48 LYS HG2 H 1.148 0.020 2 493 48 48 LYS HG3 H 1.148 0.020 2 494 48 48 LYS C C 176.494 0.400 1 495 48 48 LYS CA C 56.883 0.400 1 496 48 48 LYS CB C 32.822 0.400 1 497 48 48 LYS CD C 29.16 0.400 1 498 48 48 LYS CE C 42.01 0.400 1 499 48 48 LYS CG C 24.83 0.400 1 500 48 48 LYS N N 122.00 0.400 1 501 49 49 ILE H H 7.774 0.020 1 502 49 49 ILE HA H 3.817 0.400 1 503 49 49 ILE HB H 1.727 0.020 1 504 49 49 ILE HD1 H 0.682 0.020 1 505 49 49 ILE HG12 H 1.308 0.020 2 506 49 49 ILE HG13 H 1.638 0.020 2 507 49 49 ILE C C 176.600 0.400 1 508 49 49 ILE CA C 61.915 0.400 1 509 49 49 ILE CB C 38.325 0.400 1 510 49 49 ILE CD1 C 12.85 0.400 1 511 49 49 ILE CG1 C 27.20 0.400 1 512 49 49 ILE CG2 C 17.50 0.400 1 513 49 49 ILE N N 121.00 0.400 1 514 50 50 GLN H H 8.125 0.020 1 515 50 50 GLN HA H 4.060 0.400 1 516 50 50 GLN HB2 H 1.835 0.020 2 517 50 50 GLN HB3 H 1.835 0.020 2 518 50 50 GLN HG2 H 2.159 0.020 2 519 50 50 GLN HG3 H 2.159 0.020 2 520 50 50 GLN C C 176.213 0.400 1 521 50 50 GLN CA C 56.263 0.400 1 522 50 50 GLN CB C 28.993 0.400 1 523 50 50 GLN CG C 33.59 0.400 1 524 50 50 GLN N N 123.80 0.400 1 525 51 51 LYS H H 8.191 0.020 1 526 51 51 LYS HA H 4.000 0.400 1 527 51 51 LYS HB2 H 1.581 0.020 2 528 51 51 LYS HB3 H 1.581 0.020 2 529 51 51 LYS HD2 H 1.476 0.020 2 530 51 51 LYS HD3 H 1.476 0.020 2 531 51 51 LYS HE2 H 2.739 0.020 2 532 51 51 LYS HE3 H 2.739 0.020 2 533 51 51 LYS HG2 H 1.196 0.020 2 534 51 51 LYS HG3 H 1.196 0.020 2 535 51 51 LYS C C 176.829 0.400 1 536 51 51 LYS CA C 56.786 0.400 1 537 51 51 LYS CB C 32.637 0.400 1 538 51 51 LYS CD C 28.87 0.400 1 539 51 51 LYS CE C 41.93 0.400 1 540 51 51 LYS CG C 24.49 0.400 1 541 51 51 LYS N N 122.90 0.400 1 542 52 52 ASP H H 8.223 0.020 1 543 52 52 ASP HA H 4.322 0.400 1 544 52 52 ASP HB2 H 2.464 0.020 2 545 52 52 ASP HB3 H 2.464 0.020 2 546 52 52 ASP C C 176.715 0.400 1 547 52 52 ASP CA C 55.047 0.400 1 548 52 52 ASP CB C 40.667 0.400 1 549 52 52 ASP N N 120.90 0.400 1 550 53 53 LYS HA H 4.082 0.400 1 551 53 53 LYS HB2 H 1.573 0.020 2 552 53 53 LYS HB3 H 1.573 0.020 2 553 53 53 LYS HD2 H 1.352 0.020 2 554 53 53 LYS HD3 H 1.352 0.020 2 555 53 53 LYS HE2 H 2.770 0.020 2 556 53 53 LYS HE3 H 2.770 0.020 2 557 53 53 LYS HG2 H 1.199 0.020 2 558 53 53 LYS HG3 H 1.199 0.020 2 559 53 53 LYS CD C 29.02 0.020 1 560 53 53 LYS CE C 42.08 0.020 1 561 53 53 LYS CG C 24.70 0.020 1 562 54 54 GLU H H 8.174 0.020 1 563 54 54 GLU HA H 3.987 0.400 1 564 54 54 GLU HB2 H 2.042 0.020 2 565 54 54 GLU HB3 H 2.042 0.020 2 566 54 54 GLU HG2 H 2.011 0.020 2 567 54 54 GLU HG3 H 2.011 0.020 2 568 54 54 GLU C C 176.024 0.400 1 569 54 54 GLU CA C 56.863 0.400 1 570 54 54 GLU CB C 30.061 0.400 1 571 54 54 GLU CG C 36.29 0.400 1 572 54 54 GLU N N 121.40 0.400 1 573 55 55 LEU H H 7.985 0.020 1 574 55 55 LEU HA H 4.102 0.400 1 575 55 55 LEU HB2 H 1.426 0.020 2 576 55 55 LEU HB3 H 1.426 0.020 2 577 55 55 LEU HD1 H 0.698 0.020 2 578 55 55 LEU HD2 H 0.698 0.020 2 579 55 55 LEU HG H 1.326 0.020 1 580 55 55 LEU C C 177.335 0.400 1 581 55 55 LEU CA C 55.132 0.400 1 582 55 55 LEU CB C 42.161 0.400 1 583 55 55 LEU CD1 C 24.89 0.400 2 584 55 55 LEU CD2 C 23.46 0.400 2 585 55 55 LEU CG C 26.85 0.400 1 586 55 55 LEU N N 122.70 0.400 1 587 56 56 LYS H H 8.103 0.020 1 588 56 56 LYS HA H 4.327 0.400 1 589 56 56 LYS HB2 H 1.613 0.020 2 590 56 56 LYS HB3 H 1.613 0.020 2 591 56 56 LYS HD2 H 1.454 0.020 2 592 56 56 LYS HD3 H 1.454 0.020 2 593 56 56 LYS HE2 H 3.009 0.020 2 594 56 56 LYS HE3 H 3.009 0.020 2 595 56 56 LYS HG2 H 1.222 0.020 2 596 56 56 LYS HG3 H 1.222 0.020 2 597 56 56 LYS C C 177.977 0.400 1 598 56 56 LYS CA C 56.095 0.400 1 599 56 56 LYS CB C 32.816 0.400 1 600 56 56 LYS CD C 29.64 0.400 1 601 56 56 LYS N N 122.10 0.400 1 602 57 57 GLU H H 8.107 0.020 1 603 57 57 GLU HA H 3.965 0.400 1 604 57 57 GLU HB2 H 1.828 0.020 2 605 57 57 GLU HB3 H 1.828 0.020 2 606 57 57 GLU HG2 H 2.022 0.020 2 607 57 57 GLU HG3 H 2.022 0.020 2 608 57 57 GLU C C 176.892 0.400 1 609 57 57 GLU CA C 56.954 0.400 1 610 57 57 GLU CB C 29.791 0.400 1 611 57 57 GLU CG C 36.09 0.400 1 612 57 57 GLU N N 121.60 0.400 1 613 58 58 PHE H H 7.926 0.020 1 614 58 58 PHE HA H 4.446 0.400 1 615 58 58 PHE HB2 H 2.994 0.020 2 616 58 58 PHE HB3 H 2.830 0.020 2 617 58 58 PHE C C 175.364 0.400 1 618 58 58 PHE CA C 57.335 0.400 1 619 58 58 PHE CB C 39.569 0.400 1 620 58 58 PHE N N 119.30 0.400 1 621 59 59 GLU H H 8.808 0.020 1 622 59 59 GLU HA H 4.113 0.400 1 623 59 59 GLU HB2 H 1.755 0.020 2 624 59 59 GLU HB3 H 1.755 0.020 2 625 59 59 GLU HG2 H 2.014 0.020 2 626 59 59 GLU HG3 H 2.014 0.020 2 627 59 59 GLU C C 175.157 0.400 1 628 59 59 GLU CA C 56.604 0.400 1 629 59 59 GLU CB C 30.404 0.400 1 630 59 59 GLU CG C 36.33 0.400 1 631 59 59 GLU N N 122.60 0.400 1 632 60 60 CYS H H 7.785 0.030 1 633 60 60 CYS C C 178.564 0.400 1 634 60 60 CYS CA C 59.289 0.400 1 635 60 60 CYS CB C 28.944 0.400 1 636 60 60 CYS N N 124.00 0.400 1 stop_ save_