data_17766 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Secondary structure of subunit E (E133-222) from Saccharomyces cerevisiae V1VO ATPase ; _BMRB_accession_number 17766 _BMRB_flat_file_name bmr17766.str _Entry_type original _Submission_date 2011-07-07 _Accession_date 2011-07-07 _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 grueber gerhard . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 485 "13C chemical shifts" 266 "15N chemical shifts" 89 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-02-15 update BMRB 'update entry citation' 2011-08-16 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural elements of the C-terminal domain of subunit E (E133-222) from the Saccharomyces cerevisiae V1V0 ATPase determined by solution NMR spectroscopy' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21826517 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Rishikesan Sankaranarayanan . . 2 Gruber Gerhard . . stop_ _Journal_abbreviation 'J. Bioenerg. Biomembr.' _Journal_name_full 'Journal of bioenergetics and biomembranes' _Journal_volume 43 _Journal_issue 5 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 447 _Page_last 455 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name E133-222 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label V-ATPase $E133-222 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_E133-222 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common E133-222 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 92 _Mol_residue_sequence ; MVLEPKAIVKALERDVDLIE SMKDDIMREYGEKAQRAPLE EIVISNDYLNKDLVSGGVVV SNASDKIEINNTLEERLKLL SEEALPAIRLEL ; loop_ _Residue_seq_code _Residue_label 1 MET 2 VAL 3 LEU 4 GLU 5 PRO 6 LYS 7 ALA 8 ILE 9 VAL 10 LYS 11 ALA 12 LEU 13 GLU 14 ARG 15 ASP 16 VAL 17 ASP 18 LEU 19 ILE 20 GLU 21 SER 22 MET 23 LYS 24 ASP 25 ASP 26 ILE 27 MET 28 ARG 29 GLU 30 TYR 31 GLY 32 GLU 33 LYS 34 ALA 35 GLN 36 ARG 37 ALA 38 PRO 39 LEU 40 GLU 41 GLU 42 ILE 43 VAL 44 ILE 45 SER 46 ASN 47 ASP 48 TYR 49 LEU 50 ASN 51 LYS 52 ASP 53 LEU 54 VAL 55 SER 56 GLY 57 GLY 58 VAL 59 VAL 60 VAL 61 SER 62 ASN 63 ALA 64 SER 65 ASP 66 LYS 67 ILE 68 GLU 69 ILE 70 ASN 71 ASN 72 THR 73 LEU 74 GLU 75 GLU 76 ARG 77 LEU 78 LYS 79 LEU 80 LEU 81 SER 82 GLU 83 GLU 84 ALA 85 LEU 86 PRO 87 ALA 88 ILE 89 ARG 90 LEU 91 GLU 92 LEU 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 3J9T "Yeast V-atpase State 1" 98.91 233 98.90 100.00 1.09e-52 PDB 3J9U "Yeast V-atpase State 2" 98.91 233 98.90 100.00 1.09e-52 PDB 3J9V "Yeast V-atpase State 3" 98.91 233 98.90 100.00 1.09e-52 PDB 4DL0 "Crystal Structure Of The Heterotrimeric Egchead Peripheral Stalk Complex Of The Yeast Vacuolar Atpase" 98.91 233 98.90 100.00 1.09e-52 PDB 4EFA "Crystal Structure Of The Heterotrimeric Egchead Peripheral Stalk Complex Of The Yeast Vacuolar Atpase - Second Conformation" 98.91 233 98.90 100.00 1.09e-52 DBJ GAA26638 "K7_Vma4p [Saccharomyces cerevisiae Kyokai no. 7]" 98.91 233 98.90 100.00 1.09e-52 EMBL CAA89978 "VMA4 [Saccharomyces cerevisiae]" 98.91 233 98.90 100.00 1.09e-52 EMBL CAA99654 "VMA4 [Saccharomyces cerevisiae]" 98.91 233 98.90 100.00 1.09e-52 EMBL CAY86613 "Vma4p [Saccharomyces cerevisiae EC1118]" 98.91 233 98.90 100.00 1.09e-52 GB AAA35209 "vacuolar membrane ATPase [Saccharomyces cerevisiae]" 98.91 233 98.90 100.00 9.34e-53 GB AHY77605 "Vma4p [Saccharomyces cerevisiae YJM993]" 98.91 233 98.90 100.00 1.09e-52 GB AJP41835 "Vma4p [Saccharomyces cerevisiae YJM1078]" 98.91 233 98.90 100.00 1.09e-52 GB AJT71258 "Vma4p [Saccharomyces cerevisiae YJM189]" 98.91 233 98.90 100.00 1.09e-52 GB AJT71746 "Vma4p [Saccharomyces cerevisiae YJM193]" 98.91 233 98.90 100.00 1.09e-52 REF NP_014977 "H(+)-transporting V1 sector ATPase subunit E [Saccharomyces cerevisiae S288c]" 98.91 233 98.90 100.00 1.09e-52 SP P22203 "RecName: Full=V-type proton ATPase subunit E; Short=V-ATPase subunit E; AltName: Full=V-ATPase 27 kDa subunit; AltName: Full=Va" 98.91 233 98.90 100.00 1.09e-52 TPG DAA11094 "TPA: H(+)-transporting V1 sector ATPase subunit E [Saccharomyces cerevisiae S288c]" 98.91 233 98.90 100.00 1.09e-52 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $E133-222 '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 $E133-222 'recombinant technology' . Escherichia coli . pET9d 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 $E133-222 0.5 mM '[U-13C; U-15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' Na2PO4 25 mM 'natural abundance' 'sodium chloride' 200 mM 'natural abundance' EDTA 5 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'peak picking' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' 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_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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_1H-15N_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 200 . mM pH 6.0 . pH pressure 1 . atm temperature 293 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCO' '3D 1H-15N 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 V-ATPase _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 8.50 0.02 1 2 1 1 MET HA H 4.30 0.40 1 3 1 1 MET HB2 H 1.87 0.20 1 4 1 1 MET HB3 H 1.87 0.20 1 5 1 1 MET HG2 H 2.38 0.20 1 6 1 1 MET HG3 H 2.38 0.20 1 7 1 1 MET C C 173.0 0.40 1 8 1 1 MET CA C 56.00 0.40 1 9 1 1 MET CB C 33.00 0.40 1 10 1 1 MET N N 121.1 0.40 1 11 2 2 VAL H H 8.08 0.02 1 12 2 2 VAL HA H 3.98 0.40 1 13 2 2 VAL HB H 1.91 0.02 1 14 2 2 VAL C C 172.9 0.40 1 15 2 2 VAL CA C 63.30 0.40 1 16 2 2 VAL CB C 32.02 0.40 1 17 2 2 VAL N N 122.3 0.40 1 18 3 3 LEU H H 8.26 0.02 1 19 3 3 LEU HA H 4.17 0.40 1 20 3 3 LEU HB2 H 1.46 0.02 1 21 3 3 LEU HB3 H 1.46 0.02 1 22 3 3 LEU HG H 1.45 0.02 1 23 3 3 LEU C C 174.6 0.40 1 24 3 3 LEU CA C 55.50 0.40 1 25 3 3 LEU CB C 41.90 0.40 1 26 3 3 LEU N N 126.5 0.40 1 27 4 4 GLU H H 8.23 0.02 1 28 4 4 GLU HA H 4.14 0.40 1 29 4 4 GLU HB2 H 2.04 0.02 1 30 4 4 GLU HB3 H 2.04 0.02 1 31 4 4 GLU HG2 H 2.24 0.02 1 32 4 4 GLU HG3 H 2.24 0.02 1 33 4 4 GLU C C 174.1 0.40 1 34 4 4 GLU CA C 56.60 0.40 1 35 4 4 GLU CB C 28.39 0.40 1 36 4 4 GLU N N 121.6 0.40 1 37 5 5 PRO HA H 4.26 0.02 1 38 5 5 PRO HB2 H 2.16 0.40 1 39 5 5 PRO HB3 H 2.16 0.02 1 40 5 5 PRO HG2 H 1.90 0.02 1 41 5 5 PRO HG3 H 1.90 0.02 1 42 5 5 PRO HD2 H 3.65 0.02 1 43 5 5 PRO C C 174.1 0.40 1 44 5 5 PRO CA C 62.00 0.40 1 45 5 5 PRO CB C 31.87 0.40 1 46 6 6 LYS H H 8.30 0.02 1 47 6 6 LYS HA H 4.17 0.40 1 48 6 6 LYS HB2 H 1.70 0.02 1 49 6 6 LYS HB3 H 1.70 0.02 1 50 6 6 LYS HG2 H 1.32 0.02 1 51 6 6 LYS HG3 H 1.32 0.02 1 52 6 6 LYS HD2 H 1.60 0.02 1 53 6 6 LYS HD3 H 1.61 0.02 1 54 6 6 LYS HE2 H 2.87 0.02 1 55 6 6 LYS HE3 H 2.87 0.02 1 56 6 6 LYS C C 173.2 0.40 1 57 6 6 LYS CA C 55.02 0.40 1 58 6 6 LYS CB C 31.31 0.40 1 59 6 6 LYS N N 120.8 0.40 1 60 7 7 ALA H H 8.21 0.02 1 61 7 7 ALA HA H 4.00 0.40 1 62 7 7 ALA HB H 1.25 0.02 1 63 7 7 ALA CA C 51.00 0.40 1 64 7 7 ALA CB C 18.04 0.40 1 65 7 7 ALA N N 125.5 0.40 1 66 8 8 ILE H H 7.97 0.02 1 67 8 8 ILE HA H 4.02 0.40 1 68 8 8 ILE HB H 1.68 0.02 1 69 8 8 ILE HG12 H 1.04 0.02 1 70 8 8 ILE HG13 H 1.04 0.02 1 71 8 8 ILE HG2 H 0.74 0.02 1 72 8 8 ILE C C 173.2 0.40 1 73 8 8 ILE CA C 61.00 0.40 1 74 8 8 ILE CB C 37.62 0.40 1 75 8 8 ILE N N 120.1 0.40 1 76 9 9 VAL H H 8.19 0.02 1 77 9 9 VAL HA H 4.02 0.40 1 78 9 9 VAL HB H 1.87 0.02 1 79 9 9 VAL HG1 H 0.75 0.02 1 80 9 9 VAL HG2 H 0.75 0.02 1 81 9 9 VAL C C 174.2 0.40 1 82 9 9 VAL CA C 61.38 0.40 1 83 9 9 VAL CB C 31.54 0.40 1 84 9 9 VAL N N 125.9 0.40 1 85 10 10 LYS H H 8.20 0.02 1 86 10 10 LYS HA H 4.15 0.40 1 87 10 10 LYS HB2 H 1.75 0.02 1 88 10 10 LYS HB3 H 1.75 0.02 1 89 10 10 LYS HG2 H 1.35 0.02 1 90 10 10 LYS HG3 H 1.34 0.02 1 91 10 10 LYS HD2 H 1.60 0.02 1 92 10 10 LYS HD3 H 1.60 0.02 1 93 10 10 LYS HE2 H 2.90 0.02 1 94 10 10 LYS HE3 H 2.90 0.02 1 95 10 10 LYS C C 173.6 0.40 1 96 10 10 LYS CA C 56.32 0.40 1 97 10 10 LYS CB C 32.91 0.40 1 98 10 10 LYS N N 121.9 0.40 1 99 11 11 ALA H H 8.12 0.02 1 100 11 11 ALA HA H 3.94 0.40 1 101 11 11 ALA HB H 1.23 0.02 1 102 11 11 ALA C C 175.6 0.40 1 103 11 11 ALA CA C 52.60 0.40 1 104 11 11 ALA CB C 18.12 0.40 1 105 11 11 ALA N N 124.9 0.40 1 106 12 12 LEU H H 8.12 0.02 1 107 12 12 LEU HA H 4.26 0.40 1 108 12 12 LEU HB2 H 1.48 0.02 1 109 12 12 LEU HB3 H 1.48 0.02 1 110 12 12 LEU HG H 1.48 0.02 1 111 12 12 LEU C C 174.6 0.40 1 112 12 12 LEU CA C 55.50 0.40 1 113 12 12 LEU CB C 41.90 0.40 1 114 12 12 LEU N N 121.2 0.40 1 115 13 13 GLU H H 8.23 0.02 1 116 13 13 GLU HA H 4.15 0.40 1 117 13 13 GLU HB2 H 2.10 0.02 1 118 13 13 GLU HB3 H 2.08 0.02 1 119 13 13 GLU HG2 H 2.14 0.02 1 120 13 13 GLU HG3 H 2.14 0.02 1 121 13 13 GLU C C 174.1 0.40 1 122 13 13 GLU CA C 56.60 0.40 1 123 13 13 GLU CB C 28.39 0.40 1 124 13 13 GLU N N 123.4 0.40 1 125 14 14 ARG H H 8.23 0.02 1 126 14 14 ARG HA H 4.29 0.40 1 127 14 14 ARG HB2 H 1.73 0.02 1 128 14 14 ARG HB3 H 1.74 0.02 1 129 14 14 ARG HG2 H 1.53 0.02 1 130 14 14 ARG HG3 H 1.54 0.02 1 131 14 14 ARG HD2 H 3.08 0.02 1 132 14 14 ARG HD3 H 3.09 0.02 1 133 14 14 ARG C C 173.6 0.40 1 134 14 14 ARG CA C 56.00 0.40 1 135 14 14 ARG CB C 29.33 0.40 1 136 14 14 ARG N N 122.1 0.40 1 137 15 15 ASP H H 8.38 0.02 1 138 15 15 ASP HA H 4.48 0.40 1 139 15 15 ASP HB2 H 2.67 0.02 1 140 15 15 ASP HB3 H 2.67 0.02 1 141 15 15 ASP C C 173.7 0.40 1 142 15 15 ASP CA C 54.20 0.40 1 143 15 15 ASP CB C 39.74 0.40 1 144 15 15 ASP N N 125.5 0.40 1 145 16 16 VAL H H 7.92 0.02 1 146 16 16 VAL HA H 3.93 0.40 1 147 16 16 VAL HB H 1.98 0.02 1 148 16 16 VAL CA C 62.90 0.40 1 149 16 16 VAL CB C 31.50 0.40 1 150 16 16 VAL N N 119.3 0.40 1 151 17 17 ASP H H 8.21 0.02 1 152 17 17 ASP HA H 4.48 0.40 1 153 17 17 ASP HB2 H 2.61 0.02 1 154 17 17 ASP HB3 H 2.52 0.02 1 155 17 17 ASP C C 173.7 0.40 1 156 17 17 ASP CA C 54.18 0.40 1 157 17 17 ASP CB C 40.00 0.40 1 158 17 17 ASP N N 122.6 0.40 1 159 18 18 LEU H H 7.94 0.02 1 160 18 18 LEU HA H 4.09 0.40 1 161 18 18 LEU HB2 H 1.48 0.02 1 162 18 18 LEU HB3 H 1.48 0.02 1 163 18 18 LEU HG H 1.48 0.02 1 164 18 18 LEU C C 174.2 0.40 1 165 18 18 LEU CA C 55.11 0.40 1 166 18 18 LEU CB C 40.89 0.40 1 167 18 18 LEU N N 122.5 0.40 1 168 19 19 ILE H H 7.82 0.02 1 169 19 19 ILE HA H 3.90 0.40 1 170 19 19 ILE HB H 1.82 0.02 1 171 19 19 ILE HG12 H 1.14 0.02 1 172 19 19 ILE HG13 H 1.06 0.02 1 173 19 19 ILE C C 174.3 0.40 1 174 19 19 ILE CA C 62.14 0.40 1 175 19 19 ILE CB C 37.95 0.40 1 176 19 19 ILE N N 120.9 0.40 1 177 20 20 GLU H H 8.32 0.02 1 178 20 20 GLU HA H 4.10 0.40 1 179 20 20 GLU HB2 H 2.13 0.02 1 180 20 20 GLU HB3 H 2.13 0.02 1 181 20 20 GLU C C 174.4 0.40 1 182 20 20 GLU CA C 56.40 0.40 1 183 20 20 GLU CB C 28.67 0.40 1 184 20 20 GLU N N 123.5 0.40 1 185 21 21 SER H H 8.13 0.02 1 186 21 21 SER HA H 4.27 0.40 1 187 21 21 SER HB2 H 3.79 0.02 1 188 21 21 SER HB3 H 3.79 0.02 1 189 21 21 SER CA C 58.16 0.40 1 190 21 21 SER CB C 62.56 0.40 1 191 21 21 SER N N 115.7 0.40 1 192 22 22 MET H H 8.10 0.02 1 193 22 22 MET HA H 4.47 0.02 1 194 22 22 MET HB2 H 2.06 0.02 1 195 22 22 MET HB3 H 2.06 0.02 1 196 22 22 MET HG2 H 2.55 0.02 1 197 22 22 MET HG3 H 2.55 0.02 1 198 22 22 MET CA C 55.84 0.40 1 199 22 22 MET CB C 31.72 0.40 1 200 22 22 MET N N 121.6 0.40 1 201 23 23 LYS H H 8.14 0.02 1 202 23 23 LYS HA H 4.13 0.40 1 203 23 23 LYS HB2 H 1.70 0.02 1 204 23 23 LYS HB3 H 1.70 0.02 1 205 23 23 LYS HG2 H 1.29 0.02 1 206 23 23 LYS HG3 H 1.29 0.02 1 207 23 23 LYS HD2 H 1.54 0.02 1 208 23 23 LYS HD3 H 1.54 0.02 1 209 23 23 LYS HE2 H 2.86 0.02 1 210 23 23 LYS HE3 H 2.86 0.02 1 211 23 23 LYS C C 173.6 0.40 1 212 23 23 LYS CA C 56.36 0.40 1 213 23 23 LYS CB C 31.97 0.40 1 214 23 23 LYS N N 120.4 0.40 1 215 24 24 ASP H H 8.22 0.02 1 216 24 24 ASP HA H 4.70 0.40 1 217 24 24 ASP HB2 H 2.76 0.02 1 218 24 24 ASP HB3 H 2.58 0.02 1 219 24 24 ASP C C 173.4 0.40 1 220 24 24 ASP CA C 53.90 0.40 1 221 24 24 ASP CB C 39.86 0.40 1 222 24 24 ASP N N 120.3 0.40 1 223 25 25 ASP H H 7.89 0.02 1 224 25 25 ASP HA H 4.40 0.40 1 225 25 25 ASP HB2 H 2.50 0.02 1 226 25 25 ASP HB3 H 2.42 0.02 1 227 25 25 ASP C C 173.4 0.40 1 228 25 25 ASP CA C 53.90 0.40 1 229 25 25 ASP CB C 40.92 0.40 1 230 25 25 ASP N N 125.9 0.40 1 231 26 26 ILE H H 7.87 0.02 1 232 26 26 ILE HA H 4.01 0.40 1 233 26 26 ILE HB H 1.74 0.02 1 234 26 26 ILE HG12 H 1.33 0.40 1 235 26 26 ILE HG13 H 1.06 0.02 1 236 26 26 ILE C C 173.1 0.40 1 237 26 26 ILE CA C 62.11 0.40 1 238 26 26 ILE CB C 38.71 0.40 1 239 26 26 ILE N N 119.5 0.40 1 240 27 27 MET H H 8.43 0.02 1 241 27 27 MET HA H 4.26 0.40 1 242 27 27 MET HB2 H 1.91 0.02 1 243 27 27 MET HB3 H 1.94 0.02 1 244 27 27 MET HG2 H 2.12 0.02 1 245 27 27 MET HG3 H 2.12 0.02 1 246 27 27 MET CA C 55.84 0.40 1 247 27 27 MET CB C 31.72 0.40 1 248 27 27 MET N N 122.5 0.40 1 249 28 28 ARG H H 7.89 0.02 1 250 28 28 ARG HA H 4.27 0.40 1 251 28 28 ARG C C 173.6 0.40 1 252 28 28 ARG CA C 55.60 0.40 1 253 28 28 ARG CB C 31.12 0.40 1 254 28 28 ARG N N 127.0 0.40 1 255 29 29 GLU H H 8.33 0.02 1 256 29 29 GLU HA H 4.01 0.40 1 257 29 29 GLU HB2 H 2.18 0.02 1 258 29 29 GLU HB3 H 2.18 0.40 1 259 29 29 GLU HG2 H 2.18 0.02 1 260 29 29 GLU HG3 H 2.18 0.02 1 261 29 29 GLU C C 174.4 0.40 1 262 29 29 GLU CA C 55.86 0.40 1 263 29 29 GLU CB C 29.02 0.40 1 264 29 29 GLU N N 122.0 0.40 1 265 30 30 TYR H H 8.14 0.02 1 266 30 30 TYR HA H 4.42 0.40 1 267 30 30 TYR HB2 H 3.00 0.02 1 268 30 30 TYR HB3 H 2.84 0.02 1 269 30 30 TYR C C 173.8 0.40 1 270 30 30 TYR CA C 58.38 0.40 1 271 30 30 TYR CB C 38.77 0.40 1 272 30 30 TYR N N 120.5 0.40 1 273 31 31 GLY H H 8.16 0.02 1 274 31 31 GLY HA2 H 3.82 0.40 1 275 31 31 GLY HA3 H 3.82 0.02 1 276 31 31 GLY CA C 44.95 0.40 1 277 31 31 GLY N N 110.0 0.40 1 278 32 32 GLU H H 8.18 0.02 1 279 32 32 GLU HA H 4.02 0.40 1 280 32 32 GLU HB2 H 2.16 0.02 1 281 32 32 GLU HB3 H 2.16 0.02 1 282 32 32 GLU HG2 H 2.15 0.02 1 283 32 32 GLU HG3 H 2.15 0.02 1 284 32 32 GLU C C 174.4 0.40 1 285 32 32 GLU CA C 56.14 0.40 1 286 32 32 GLU CB C 29.07 0.40 1 287 32 32 GLU N N 120.7 0.40 1 288 33 33 LYS H H 8.27 0.02 1 289 33 33 LYS HA H 4.14 0.40 1 290 33 33 LYS HB2 H 1.72 0.02 1 291 33 33 LYS HB3 H 1.72 0.02 1 292 33 33 LYS HG2 H 1.33 0.02 1 293 33 33 LYS HG3 H 1.33 0.02 1 294 33 33 LYS HD2 H 1.56 0.02 1 295 33 33 LYS HD3 H 1.56 0.02 1 296 33 33 LYS HE2 H 2.89 0.02 1 297 33 33 LYS HE3 H 2.89 0.02 1 298 33 33 LYS C C 173.3 0.40 1 299 33 33 LYS CA C 56.58 0.40 1 300 33 33 LYS CB C 31.81 0.40 1 301 33 33 LYS N N 125.5 0.40 1 302 34 34 ALA H H 8.08 0.02 1 303 34 34 ALA HA H 4.14 0.40 1 304 34 34 ALA HB H 1.23 0.02 1 305 34 34 ALA C C 174.9 0.40 1 306 34 34 ALA CA C 52.00 0.40 1 307 34 34 ALA CB C 18.15 0.40 1 308 34 34 ALA N N 124.1 0.40 1 309 35 35 GLN H H 8.16 0.02 1 310 35 35 GLN HA H 4.16 0.40 1 311 35 35 GLN HB2 H 1.82 0.02 1 312 35 35 GLN HB3 H 1.82 0.02 1 313 35 35 GLN HG2 H 2.23 0.02 1 314 35 35 GLN HG3 H 2.23 0.02 1 315 35 35 GLN C C 172.4 0.40 1 316 35 35 GLN CA C 55.50 0.40 1 317 35 35 GLN CB C 28.16 0.40 1 318 35 35 GLN N N 119.3 0.40 1 319 36 36 ARG H H 8.18 0.02 1 320 36 36 ARG HA H 4.22 0.40 1 321 36 36 ARG HB2 H 1.68 0.02 1 322 36 36 ARG HB3 H 1.68 0.02 1 323 36 36 ARG HG2 H 1.52 0.02 1 324 36 36 ARG HG3 H 1.52 0.02 1 325 36 36 ARG HD2 H 3.07 0.02 1 326 36 36 ARG HD3 H 3.07 0.02 1 327 36 36 ARG C C 172.7 0.40 1 328 36 36 ARG CA C 56.03 0.40 1 329 36 36 ARG CB C 29.19 0.40 1 330 36 36 ARG N N 122.2 0.40 1 331 37 37 ALA H H 8.28 0.02 1 332 37 37 ALA HA H 4.00 0.40 1 333 37 37 ALA HB H 1.23 0.02 1 334 37 37 ALA C C 175.2 0.02 1 335 37 37 ALA CA C 52.63 0.40 1 336 37 37 ALA CB C 19.07 0.40 1 337 37 37 ALA N N 126.9 0.40 1 338 38 38 PRO C C 174.1 0.40 1 339 38 38 PRO CA C 62.50 0.40 1 340 38 38 PRO CB C 34.22 0.40 1 341 39 39 LEU H H 8.43 0.02 1 342 39 39 LEU HA H 4.13 0.40 1 343 39 39 LEU HB2 H 1.50 0.02 1 344 39 39 LEU HB3 H 1.50 0.02 1 345 39 39 LEU HG H 1.49 0.02 1 346 39 39 LEU HD1 H 0.77 0.02 1 347 39 39 LEU HD2 H 0.77 0.02 1 348 39 39 LEU C C 175.2 0.40 1 349 39 39 LEU CA C 55.46 0.40 1 350 39 39 LEU CB C 41.27 0.40 1 351 39 39 LEU N N 123.2 0.40 1 352 40 40 GLU H H 8.28 0.02 1 353 40 40 GLU HA H 4.07 0.40 1 354 40 40 GLU HB2 H 1.88 0.02 1 355 40 40 GLU HB3 H 1.88 0.02 1 356 40 40 GLU HG2 H 2.16 0.02 1 357 40 40 GLU HG3 H 2.16 0.02 1 358 40 40 GLU C C 174.1 0.40 1 359 40 40 GLU CA C 57.71 0.40 1 360 40 40 GLU CB C 28.29 0.40 1 361 40 40 GLU N N 120.0 0.40 1 362 41 41 GLU H H 8.13 0.02 1 363 41 41 GLU HA H 4.16 0.40 1 364 41 41 GLU HB2 H 2.13 0.02 1 365 41 41 GLU HB3 H 2.13 0.02 1 366 41 41 GLU HG2 H 2.13 0.02 1 367 41 41 GLU HG3 H 2.13 0.02 1 368 41 41 GLU C C 173.3 0.40 1 369 41 41 GLU CA C 54.80 0.40 1 370 41 41 GLU CB C 29.51 0.40 1 371 41 41 GLU N N 120.2 0.40 1 372 42 42 ILE H H 8.10 0.02 1 373 42 42 ILE HA H 4.09 0.40 1 374 42 42 ILE HB H 1.99 0.02 1 375 42 42 ILE HG12 H 1.41 0.02 1 376 42 42 ILE HG13 H 1.40 0.02 1 377 42 42 ILE HG2 H 0.82 0.02 1 378 42 42 ILE C C 173.4 0.40 1 379 42 42 ILE CA C 60.40 0.40 1 380 42 42 ILE CB C 37.41 0.40 1 381 42 42 ILE N N 123.0 0.40 1 382 43 43 VAL H H 7.90 0.02 1 383 43 43 VAL HA H 3.98 0.40 1 384 43 43 VAL HB H 1.91 0.02 1 385 43 43 VAL HG1 H 0.77 0.02 1 386 43 43 VAL HG2 H 0.78 0.02 1 387 43 43 VAL C C 174.2 0.40 1 388 43 43 VAL CA C 61.00 0.40 1 389 43 43 VAL CB C 31.53 0.40 1 390 43 43 VAL N N 125.7 0.40 1 391 44 44 ILE H H 8.27 0.02 1 392 44 44 ILE HA H 3.98 0.40 1 393 44 44 ILE HB H 1.74 0.02 1 394 44 44 ILE HG12 H 1.36 0.02 1 395 44 44 ILE HG13 H 1.32 0.02 1 396 44 44 ILE HG2 H 0.73 0.02 1 397 44 44 ILE C C 173.2 0.40 1 398 44 44 ILE CA C 60.37 0.40 1 399 44 44 ILE CB C 37.49 0.40 1 400 44 44 ILE N N 126.1 0.40 1 401 45 45 SER H H 8.28 0.02 1 402 45 45 SER HA H 4.35 0.40 1 403 45 45 SER HB2 H 3.73 0.02 1 404 45 45 SER HB3 H 3.73 0.02 1 405 45 45 SER C C 171.5 0.40 1 406 45 45 SER CA C 58.86 0.40 1 407 45 45 SER CB C 63.09 0.40 1 408 45 45 SER N N 120.1 0.40 1 409 46 46 ASN H H 8.44 0.02 1 410 46 46 ASN HA H 4.58 0.40 1 411 46 46 ASN HB2 H 2.63 0.02 1 412 46 46 ASN HB3 H 2.62 0.02 1 413 46 46 ASN C C 172.5 0.40 1 414 46 46 ASN CA C 53.50 0.40 1 415 46 46 ASN CB C 37.41 0.40 1 416 46 46 ASN N N 121.5 0.40 1 417 47 47 ASP H H 8.18 0.02 1 418 47 47 ASP HA H 4.32 0.40 1 419 47 47 ASP HB2 H 2.97 0.02 1 420 47 47 ASP HB3 H 2.86 0.02 1 421 47 47 ASP C C 175.6 0.40 1 422 47 47 ASP CA C 55.00 0.40 1 423 47 47 ASP CB C 39.67 0.40 1 424 47 47 ASP N N 120.4 0.40 1 425 48 48 TYR H H 8.00 0.02 1 426 48 48 TYR HA H 4.32 0.40 1 427 48 48 TYR HB2 H 2.97 0.02 1 428 48 48 TYR HB3 H 2.86 0.02 1 429 48 48 TYR C C 173.1 0.40 1 430 48 48 TYR CA C 58.00 0.40 1 431 48 48 TYR CB C 39.15 0.40 1 432 48 48 TYR N N 121.8 0.40 1 433 49 49 LEU H H 7.78 0.02 1 434 49 49 LEU HA H 4.10 0.40 1 435 49 49 LEU HB2 H 1.45 0.02 1 436 49 49 LEU HB3 H 1.27 0.02 1 437 49 49 LEU HG H 1.27 0.02 1 438 49 49 LEU HD1 H 0.72 0.02 1 439 49 49 LEU HD2 H 0.72 0.02 1 440 49 49 LEU C C 174.2 0.40 1 441 49 49 LEU CA C 55.30 0.40 1 442 49 49 LEU CB C 41.32 0.40 1 443 49 49 LEU N N 121.1 0.40 1 444 50 50 ASN H H 8.08 0.02 1 445 50 50 ASN HA H 4.55 0.40 1 446 50 50 ASN HB2 H 2.63 0.02 1 447 50 50 ASN HB3 H 2.63 0.02 1 448 50 50 ASN C C 172.5 0.40 1 449 50 50 ASN CA C 53.38 0.40 1 450 50 50 ASN CB C 37.49 0.40 1 451 50 50 ASN N N 118.8 0.40 1 452 51 51 LYS H H 7.89 0.02 1 453 51 51 LYS HA H 4.15 0.40 1 454 51 51 LYS HG2 H 1.35 0.02 1 455 51 51 LYS HG3 H 1.35 0.02 1 456 51 51 LYS HD2 H 1.61 0.02 1 457 51 51 LYS HD3 H 1.61 0.02 1 458 51 51 LYS C C 173.6 0.40 1 459 51 51 LYS CA C 56.10 0.40 1 460 51 51 LYS CB C 31.72 0.40 1 461 51 51 LYS N N 120.4 0.40 1 462 52 52 ASP H H 8.17 0.02 1 463 52 52 ASP HA H 4.46 0.40 1 464 52 52 ASP HB2 H 2.61 0.02 1 465 52 52 ASP HB3 H 2.49 0.02 1 466 52 52 ASP C C 175.6 0.40 1 467 52 52 ASP CA C 54.73 0.40 1 468 52 52 ASP CB C 40.87 0.40 1 469 52 52 ASP N N 120.7 0.40 1 470 53 53 LEU H H 7.90 0.02 1 471 53 53 LEU HA H 4.20 0.40 1 472 53 53 LEU HB2 H 1.48 0.02 1 473 53 53 LEU HB3 H 1.48 0.02 1 474 53 53 LEU HG H 1.48 0.02 1 475 53 53 LEU HD1 H 0.78 0.02 1 476 53 53 LEU HD2 H 0.78 0.02 1 477 53 53 LEU C C 173.7 0.40 1 478 53 53 LEU CA C 55.30 0.40 1 479 53 53 LEU CB C 41.32 0.40 1 480 53 53 LEU N N 121.7 0.40 1 481 54 54 VAL H H 7.96 0.02 1 482 54 54 VAL HA H 4.04 0.40 1 483 54 54 VAL HB H 1.96 0.02 1 484 54 54 VAL HG1 H 0.81 0.02 1 485 54 54 VAL HG2 H 0.81 0.02 1 486 54 54 VAL C C 173.2 0.40 1 487 54 54 VAL CA C 63.90 0.40 1 488 54 54 VAL CB C 31.76 0.40 1 489 54 54 VAL N N 120.2 0.40 1 490 55 55 SER H H 8.35 0.02 1 491 55 55 SER HA H 4.37 0.40 1 492 55 55 SER HB2 H 3.92 0.02 1 493 55 55 SER HB3 H 3.92 0.02 1 494 55 55 SER C C 172.4 0.40 1 495 55 55 SER CA C 58.56 0.40 1 496 55 55 SER CB C 63.18 0.40 1 497 55 55 SER N N 120.0 0.40 1 498 56 56 GLY H H 8.14 0.02 1 499 56 56 GLY HA2 H 3.86 0.40 1 500 56 56 GLY HA3 H 3.86 0.40 1 501 56 56 GLY C C 171.8 0.40 1 502 56 56 GLY CA C 44.98 0.40 1 503 56 56 GLY N N 111.1 0.40 1 504 57 57 GLY H H 8.14 0.02 1 505 57 57 GLY HA2 H 3.86 0.40 1 506 57 57 GLY HA3 H 3.86 0.02 1 507 57 57 GLY C C 170.9 0.40 1 508 57 57 GLY CA C 43.50 0.40 1 509 57 57 GLY N N 108.5 0.40 1 510 58 58 VAL H H 7.87 0.02 1 511 58 58 VAL HA H 4.01 0.40 1 512 58 58 VAL HB H 1.91 0.02 1 513 58 58 VAL HG1 H 0.78 0.02 1 514 58 58 VAL HG2 H 0.78 0.02 1 515 58 58 VAL C C 173.2 0.40 1 516 58 58 VAL CA C 61.40 0.40 1 517 58 58 VAL CB C 32.01 0.40 1 518 58 58 VAL N N 119.8 0.40 1 519 59 59 VAL H H 8.22 0.02 1 520 59 59 VAL HA H 4.00 0.40 1 521 59 59 VAL HB H 1.90 0.02 1 522 59 59 VAL HG1 H 0.77 0.02 1 523 59 59 VAL HG2 H 0.77 0.02 1 524 59 59 VAL C C 173.2 0.40 1 525 59 59 VAL CA C 61.30 0.40 1 526 59 59 VAL CB C 31.92 0.40 1 527 59 59 VAL N N 125.5 0.40 1 528 60 60 VAL H H 8.27 0.02 1 529 60 60 VAL HA H 3.98 0.40 1 530 60 60 VAL HB H 1.99 0.02 1 531 60 60 VAL HG1 H 0.77 0.02 1 532 60 60 VAL HG2 H 0.77 0.02 1 533 60 60 VAL C C 173.2 0.40 1 534 60 60 VAL CA C 61.40 0.40 1 535 60 60 VAL CB C 30.96 0.40 1 536 60 60 VAL N N 125.7 0.40 1 537 61 61 SER H H 8.29 0.02 1 538 61 61 SER HA H 4.37 0.40 1 539 61 61 SER HB2 H 3.75 0.02 1 540 61 61 SER HB3 H 3.78 0.40 1 541 61 61 SER C C 171.7 0.40 1 542 61 61 SER CA C 58.71 0.40 1 543 61 61 SER CB C 62.90 0.40 1 544 61 61 SER N N 119.0 0.40 1 545 62 62 ASN H H 8.14 0.02 1 546 62 62 ASN HA H 4.63 0.40 1 547 62 62 ASN HB2 H 2.70 0.02 1 548 62 62 ASN HB3 H 2.69 0.02 1 549 62 62 ASN C C 172.5 0.40 1 550 62 62 ASN CA C 54.23 0.40 1 551 62 62 ASN CB C 38.24 0.40 1 552 62 62 ASN N N 122.0 0.40 1 553 63 63 ALA H H 8.26 0.02 1 554 63 63 ALA HA H 4.11 0.40 1 555 63 63 ALA HB H 1.31 0.02 1 556 63 63 ALA C C 175.2 0.40 1 557 63 63 ALA CA C 53.33 0.40 1 558 63 63 ALA CB C 17.81 0.40 1 559 63 63 ALA N N 125.6 0.40 1 560 64 64 SER H H 8.22 0.02 1 561 64 64 SER HA H 4.20 0.40 1 562 64 64 SER HB2 H 3.75 0.02 1 563 64 64 SER HB3 H 3.77 0.02 1 564 64 64 SER C C 171.7 0.40 1 565 64 64 SER CA C 58.60 0.40 1 566 64 64 SER CB C 62.68 0.40 1 567 64 64 SER N N 114.5 0.40 1 568 65 65 ASP H H 8.13 0.02 1 569 65 65 ASP HA H 4.52 0.40 1 570 65 65 ASP HB2 H 2.75 0.02 1 571 65 65 ASP HB3 H 2.65 0.02 1 572 65 65 ASP C C 175.6 0.40 1 573 65 65 ASP CA C 54.73 0.40 1 574 65 65 ASP CB C 40.87 0.40 1 575 65 65 ASP N N 120.9 0.40 1 576 66 66 LYS H H 8.10 0.02 1 577 66 66 LYS HA H 4.20 0.40 1 578 66 66 LYS HB2 H 1.69 0.02 1 579 66 66 LYS HB3 H 1.69 0.02 1 580 66 66 LYS HG2 H 1.28 0.02 1 581 66 66 LYS HG3 H 1.28 0.02 1 582 66 66 LYS HD2 H 1.56 0.02 1 583 66 66 LYS HD3 H 1.54 0.02 1 584 66 66 LYS HE2 H 2.84 0.02 1 585 66 66 LYS HE3 H 2.84 0.02 1 586 66 66 LYS C C 173.6 0.40 1 587 66 66 LYS CA C 54.90 0.40 1 588 66 66 LYS CB C 32.05 0.40 1 589 66 66 LYS N N 121.8 0.40 1 590 67 67 ILE H H 8.01 0.02 1 591 67 67 ILE HA H 4.02 0.40 1 592 67 67 ILE HB H 1.72 0.02 1 593 67 67 ILE HG12 H 1.02 0.02 1 594 67 67 ILE HG13 H 1.01 0.02 1 595 67 67 ILE HG2 H 0.73 0.02 1 596 67 67 ILE C C 173.2 0.40 1 597 67 67 ILE CA C 60.80 0.40 1 598 67 67 ILE CB C 37.64 0.40 1 599 67 67 ILE N N 122.5 0.40 1 600 68 68 GLU H H 8.09 0.02 1 601 68 68 GLU HA H 4.33 0.40 1 602 68 68 GLU HB2 H 1.88 0.02 1 603 68 68 GLU HB3 H 1.91 0.40 1 604 68 68 GLU C C 173.5 0.40 1 605 68 68 GLU CA C 55.40 0.40 1 606 68 68 GLU CB C 29.01 0.40 1 607 68 68 GLU N N 125.1 0.40 1 608 69 69 ILE H H 8.14 0.02 1 609 69 69 ILE HA H 4.14 0.40 1 610 69 69 ILE HB H 1.72 0.02 1 611 69 69 ILE HG12 H 1.35 0.02 1 612 69 69 ILE HG13 H 1.34 0.02 1 613 69 69 ILE C C 173.2 0.40 1 614 69 69 ILE CA C 60.80 0.40 1 615 69 69 ILE CB C 37.00 0.40 1 616 69 69 ILE N N 122.4 0.40 1 617 70 70 ASN H H 8.27 0.02 1 618 70 70 ASN HA H 4.62 0.40 1 619 70 70 ASN HB2 H 2.69 0.02 1 620 70 70 ASN HB3 H 2.69 0.02 1 621 70 70 ASN C C 172.2 0.40 1 622 70 70 ASN CA C 53.60 0.40 1 623 70 70 ASN CB C 38.73 0.40 1 624 70 70 ASN N N 125.7 0.40 1 625 71 71 ASN H H 8.38 0.02 1 626 71 71 ASN HA H 4.69 0.40 1 627 71 71 ASN HB2 H 2.66 0.02 1 628 71 71 ASN HB3 H 2.67 0.02 1 629 71 71 ASN C C 172.9 0.40 1 630 71 71 ASN CA C 53.65 0.40 1 631 71 71 ASN CB C 37.57 0.40 1 632 71 71 ASN N N 120.0 0.40 1 633 72 72 THR H H 8.09 0.02 1 634 72 72 THR HA H 4.20 0.40 1 635 72 72 THR HB H 4.04 0.02 1 636 72 72 THR HG2 H 1.11 0.02 1 637 72 72 THR C C 172.3 0.40 1 638 72 72 THR CA C 63.00 0.40 1 639 72 72 THR CB C 68.73 0.40 1 640 72 72 THR N N 114.0 0.40 1 641 73 73 LEU H H 8.17 0.02 1 642 73 73 LEU HA H 4.22 0.40 1 643 73 73 LEU HB2 H 1.52 0.02 1 644 73 73 LEU HB3 H 1.52 0.02 1 645 73 73 LEU HG H 1.52 0.02 1 646 73 73 LEU C C 174.0 0.40 1 647 73 73 LEU CA C 55.00 0.40 1 648 73 73 LEU CB C 42.55 0.40 1 649 73 73 LEU N N 123.7 0.40 1 650 74 74 GLU H H 8.27 0.02 1 651 74 74 GLU HA H 4.14 0.40 1 652 74 74 GLU HB2 H 2.16 0.02 1 653 74 74 GLU HB3 H 2.15 0.02 1 654 74 74 GLU HG2 H 2.18 0.02 1 655 74 74 GLU HG3 H 2.18 0.02 1 656 74 74 GLU C C 174.4 0.40 1 657 74 74 GLU CA C 56.00 0.40 1 658 74 74 GLU CB C 28.85 0.40 1 659 74 74 GLU N N 122.5 0.40 1 660 75 75 GLU H H 8.22 0.02 1 661 75 75 GLU HA H 4.13 0.40 1 662 75 75 GLU HB2 H 2.14 0.02 1 663 75 75 GLU HB3 H 2.14 0.02 1 664 75 75 GLU HG2 H 2.18 0.02 1 665 75 75 GLU HG3 H 2.18 0.02 1 666 75 75 GLU C C 174.4 0.40 1 667 75 75 GLU CA C 56.19 0.40 1 668 75 75 GLU CB C 30.93 0.40 1 669 75 75 GLU N N 121.6 0.40 1 670 76 76 ARG H H 8.15 0.02 1 671 76 76 ARG HA H 4.27 0.40 1 672 76 76 ARG HB2 H 1.68 0.02 1 673 76 76 ARG HB3 H 1.68 0.02 1 674 76 76 ARG HG2 H 1.45 0.02 1 675 76 76 ARG HG3 H 1.46 0.02 1 676 76 76 ARG HD2 H 3.07 0.02 1 677 76 76 ARG HD3 H 3.07 0.02 1 678 76 76 ARG C C 172.5 0.40 1 679 76 76 ARG CA C 55.70 0.40 1 680 76 76 ARG CB C 29.25 0.40 1 681 76 76 ARG N N 121.1 0.40 1 682 77 77 LEU H H 8.26 0.02 1 683 77 77 LEU HA H 4.21 0.40 1 684 77 77 LEU HB2 H 1.58 0.02 1 685 77 77 LEU HB3 H 1.58 0.02 1 686 77 77 LEU HG H 1.57 0.02 1 687 77 77 LEU HD1 H 0.79 0.02 1 688 77 77 LEU HD2 H 0.78 0.02 1 689 77 77 LEU C C 174.0 0.40 1 690 77 77 LEU CA C 55.00 0.40 1 691 77 77 LEU CB C 41.90 0.40 1 692 77 77 LEU N N 124.8 0.40 1 693 78 78 LYS H H 7.98 0.02 1 694 78 78 LYS HA H 4.08 0.40 1 695 78 78 LYS HB2 H 1.75 0.02 1 696 78 78 LYS HB3 H 1.75 0.02 1 697 78 78 LYS HG2 H 1.45 0.02 1 698 78 78 LYS HG3 H 1.45 0.02 1 699 78 78 LYS HD2 H 1.62 0.02 1 700 78 78 LYS HD3 H 1.61 0.02 1 701 78 78 LYS HE2 H 3.14 0.02 1 702 78 78 LYS HE3 H 3.14 0.02 1 703 78 78 LYS C C 174.7 0.40 1 704 78 78 LYS CA C 56.50 0.40 1 705 78 78 LYS CB C 31.93 0.40 1 706 78 78 LYS N N 120.8 0.40 1 707 79 79 LEU H H 7.83 0.02 1 708 79 79 LEU HA H 4.16 0.40 1 709 79 79 LEU HB2 H 1.56 0.02 1 710 79 79 LEU HB3 H 1.56 0.02 1 711 79 79 LEU HG H 1.58 0.02 1 712 79 79 LEU HD1 H 0.75 0.02 1 713 79 79 LEU HD2 H 0.75 0.02 1 714 79 79 LEU C C 174.0 0.40 1 715 79 79 LEU CA C 55.70 0.40 1 716 79 79 LEU CB C 40.61 0.40 1 717 79 79 LEU N N 121.2 0.40 1 718 80 80 LEU H H 7.98 0.02 1 719 80 80 LEU HA H 4.21 0.40 1 720 80 80 LEU HB2 H 1.61 0.02 1 721 80 80 LEU HB3 H 1.54 0.02 1 722 80 80 LEU HG H 1.53 0.02 1 723 80 80 LEU HD1 H 0.72 0.02 1 724 80 80 LEU HD2 H 0.72 0.02 1 725 80 80 LEU C C 175.1 0.40 1 726 80 80 LEU CA C 54.98 0.40 1 727 80 80 LEU CB C 41.00 0.40 1 728 80 80 LEU N N 121.1 0.40 1 729 81 81 SER H H 7.96 0.02 1 730 81 81 SER HA H 4.21 0.40 1 731 81 81 SER HB2 H 3.61 0.02 1 732 81 81 SER HB3 H 3.54 0.02 1 733 81 81 SER HG H 1.53 0.02 1 734 81 81 SER CA C 58.00 0.40 1 735 81 81 SER CB C 62.67 0.40 1 736 81 81 SER N N 115.3 0.40 1 737 82 82 GLU H H 8.18 0.02 1 738 82 82 GLU HA H 4.12 0.40 1 739 82 82 GLU HB2 H 2.16 0.02 1 740 82 82 GLU HB3 H 2.15 0.02 1 741 82 82 GLU HG2 H 2.15 0.02 1 742 82 82 GLU HG3 H 2.16 0.02 1 743 82 82 GLU C C 174.4 0.40 1 744 82 82 GLU CA C 55.94 0.40 1 745 82 82 GLU CB C 29.09 0.40 1 746 82 82 GLU N N 122.3 0.40 1 747 83 83 GLU H H 8.06 0.02 1 748 83 83 GLU HA H 4.12 0.40 1 749 83 83 GLU HB2 H 2.16 0.02 1 750 83 83 GLU HB3 H 2.15 0.02 1 751 83 83 GLU HG2 H 2.16 0.02 1 752 83 83 GLU HG3 H 2.16 0.02 1 753 83 83 GLU C C 173.2 0.40 1 754 83 83 GLU CA C 56.65 0.40 1 755 83 83 GLU CB C 30.24 0.40 1 756 83 83 GLU N N 120.5 0.40 1 757 84 84 ALA H H 8.06 0.02 1 758 84 84 ALA HA H 4.04 0.40 1 759 84 84 ALA HB H 1.24 0.02 1 760 84 84 ALA C C 175.0 0.40 1 761 84 84 ALA CA C 51.56 0.40 1 762 84 84 ALA CB C 18.23 0.40 1 763 84 84 ALA N N 124.6 0.40 1 764 85 85 LEU H H 7.78 0.02 1 765 85 85 LEU HA H 4.19 0.40 1 766 85 85 LEU HD1 H 0.76 0.02 1 767 85 85 LEU HD2 H 0.76 0.02 1 768 85 85 LEU C C 174.0 0.40 1 769 85 85 LEU CA C 55.35 0.40 1 770 85 85 LEU CB C 42.21 0.40 1 771 85 85 LEU N N 121.0 0.40 1 772 86 86 PRO HA H 4.39 0.40 1 773 86 86 PRO HB2 H 2.27 0.02 1 774 86 86 PRO HB3 H 2.19 0.02 1 775 86 86 PRO HG2 H 1.92 0.02 1 776 86 86 PRO HG3 H 1.77 0.02 1 777 86 86 PRO HD2 H 3.52 0.02 1 778 86 86 PRO HD3 H 3.73 0.02 1 779 86 86 PRO C C 174.0 0.40 1 780 86 86 PRO CA C 62.90 0.40 1 781 86 86 PRO CB C 31.97 0.40 1 782 87 87 ALA H H 8.23 0.02 1 783 87 87 ALA HA H 4.02 0.40 1 784 87 87 ALA HB H 1.26 0.02 1 785 87 87 ALA C C 174.0 0.40 1 786 87 87 ALA CA C 51.99 0.40 1 787 87 87 ALA CB C 18.86 0.40 1 788 87 87 ALA N N 124.2 0.40 1 789 88 88 ILE H H 8.03 0.02 1 790 88 88 ILE HA H 4.01 0.02 1 791 88 88 ILE HB H 1.77 0.02 1 792 88 88 ILE HG12 H 1.38 0.02 1 793 88 88 ILE HG13 H 1.38 0.02 1 794 88 88 ILE HG2 H 0.72 0.02 1 795 88 88 ILE C C 173.3 0.40 1 796 88 88 ILE CA C 62.06 0.40 1 797 88 88 ILE CB C 38.57 0.40 1 798 88 88 ILE N N 120.8 0.40 1 799 89 89 ARG H H 8.39 0.02 1 800 89 89 ARG HA H 4.03 0.02 1 801 89 89 ARG HB2 H 1.74 0.02 1 802 89 89 ARG HB3 H 1.74 0.02 1 803 89 89 ARG HG2 H 1.64 0.02 1 804 89 89 ARG HG3 H 1.59 0.02 1 805 89 89 ARG C C 172.5 0.40 1 806 89 89 ARG CA C 56.15 0.40 1 807 89 89 ARG CB C 29.30 0.40 1 808 89 89 ARG N N 125.5 0.40 1 809 90 90 LEU H H 8.06 0.02 1 810 90 90 LEU HA H 4.16 0.02 1 811 90 90 LEU HB2 H 1.52 0.02 1 812 90 90 LEU HB3 H 1.52 0.02 1 813 90 90 LEU HG H 1.52 0.02 1 814 90 90 LEU HD1 H 0.80 0.02 1 815 90 90 LEU HD2 H 0.80 0.02 1 816 90 90 LEU C C 174.2 0.40 1 817 90 90 LEU CA C 55.25 0.40 1 818 90 90 LEU CB C 42.20 0.40 1 819 90 90 LEU N N 120.5 0.40 1 820 91 91 GLU H H 8.24 0.02 1 821 91 91 GLU HA H 4.23 0.02 1 822 91 91 GLU HB2 H 2.12 0.02 1 823 91 91 GLU HB3 H 2.13 0.02 1 824 91 91 GLU HG2 H 2.13 0.02 1 825 91 91 GLU HG3 H 2.14 0.02 1 826 91 91 GLU C C 173.2 0.40 1 827 91 91 GLU CA C 56.17 0.40 1 828 91 91 GLU CB C 29.15 0.40 1 829 91 91 GLU N N 121.1 0.40 1 830 92 92 LEU H H 7.79 0.02 1 831 92 92 LEU HA H 4.24 0.02 1 832 92 92 LEU HB2 H 1.44 0.02 1 833 92 92 LEU HB3 H 1.44 0.02 1 834 92 92 LEU HG H 1.44 0.02 1 835 92 92 LEU HD1 H 0.75 0.02 1 836 92 92 LEU HD2 H 0.75 0.02 1 837 92 92 LEU C C 174.0 0.40 1 838 92 92 LEU CA C 55.30 0.40 1 839 92 92 LEU CB C 42.19 0.40 1 840 92 92 LEU N N 129.2 0.40 1 stop_ save_