data_26613 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Periplasmic chaperone Skp from E. coli in 8 m Urea ; _BMRB_accession_number 26613 _BMRB_flat_file_name bmr26613.str _Entry_type original _Submission_date 2015-07-15 _Accession_date 2015-07-15 _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 Burmann Bjoern M. . 2 Hiller Sebastian . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 141 "13C chemical shifts" 417 "15N chemical shifts" 141 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-12-17 update BMRB 'update entry citation' 2020-08-30 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 26612 tOmpA stop_ _Original_release_date 2015-07-15 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Regulation of chaperone function by coupled folding and oligomerization ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 33087350 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mas Guillaume . . 2 Burmann Bjorn M. . 3 Sharpe Timothy . . 4 Claudi Beatrice . . 5 Bumann Dirk . . 6 Hiller Sebastian . . stop_ _Journal_abbreviation 'Sci. Adv.' _Journal_name_full 'Science advances' _Journal_volume 6 _Journal_issue 43 _Journal_ISSN 2375-2548 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first eabc5822 _Page_last eabc5822 _Year 2020 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Skp _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Skp $Skp stop_ _System_molecular_weight 18000 _System_physical_state denatured _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Skp _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Skp _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 162 _Mol_residue_sequence ; MGSSHHHHHHSSGLVPRGSH MADKIAIVNMGSLFQQVAQK TGVSNTLENEFKGRASELQR METDLQAKMKKLQSMKAGSD RTKLEKDVMAQRQTFAQKAQ AFEQDRARRSNEERGKLVTR IQTAVKSVANSQDIDLVVDA NAVAYNSSDVKDITADVLKQ VK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -20 MET 2 -19 GLY 3 -18 SER 4 -17 SER 5 -16 HIS 6 -15 HIS 7 -14 HIS 8 -13 HIS 9 -12 HIS 10 -11 HIS 11 -10 SER 12 -9 SER 13 -8 GLY 14 -7 LEU 15 -6 VAL 16 -5 PRO 17 -4 ARG 18 -3 GLY 19 -2 SER 20 -1 HIS 21 0 MET 22 1 ALA 23 2 ASP 24 3 LYS 25 4 ILE 26 5 ALA 27 6 ILE 28 7 VAL 29 8 ASN 30 9 MET 31 10 GLY 32 11 SER 33 12 LEU 34 13 PHE 35 14 GLN 36 15 GLN 37 16 VAL 38 17 ALA 39 18 GLN 40 19 LYS 41 20 THR 42 21 GLY 43 22 VAL 44 23 SER 45 24 ASN 46 25 THR 47 26 LEU 48 27 GLU 49 28 ASN 50 29 GLU 51 30 PHE 52 31 LYS 53 32 GLY 54 33 ARG 55 34 ALA 56 35 SER 57 36 GLU 58 37 LEU 59 38 GLN 60 39 ARG 61 40 MET 62 41 GLU 63 42 THR 64 43 ASP 65 44 LEU 66 45 GLN 67 46 ALA 68 47 LYS 69 48 MET 70 49 LYS 71 50 LYS 72 51 LEU 73 52 GLN 74 53 SER 75 54 MET 76 55 LYS 77 56 ALA 78 57 GLY 79 58 SER 80 59 ASP 81 60 ARG 82 61 THR 83 62 LYS 84 63 LEU 85 64 GLU 86 65 LYS 87 66 ASP 88 67 VAL 89 68 MET 90 69 ALA 91 70 GLN 92 71 ARG 93 72 GLN 94 73 THR 95 74 PHE 96 75 ALA 97 76 GLN 98 77 LYS 99 78 ALA 100 79 GLN 101 80 ALA 102 81 PHE 103 82 GLU 104 83 GLN 105 84 ASP 106 85 ARG 107 86 ALA 108 87 ARG 109 88 ARG 110 89 SER 111 90 ASN 112 91 GLU 113 92 GLU 114 93 ARG 115 94 GLY 116 95 LYS 117 96 LEU 118 97 VAL 119 98 THR 120 99 ARG 121 100 ILE 122 101 GLN 123 102 THR 124 103 ALA 125 104 VAL 126 105 LYS 127 106 SER 128 107 VAL 129 108 ALA 130 109 ASN 131 110 SER 132 111 GLN 133 112 ASP 134 113 ILE 135 114 ASP 136 115 LEU 137 116 VAL 138 117 VAL 139 118 ASP 140 119 ALA 141 120 ASN 142 121 ALA 143 122 VAL 144 123 ALA 145 124 TYR 146 125 ASN 147 126 SER 148 127 SER 149 128 ASP 150 129 VAL 151 130 LYS 152 131 ASP 153 132 ILE 154 133 THR 155 134 ALA 156 135 ASP 157 136 VAL 158 137 LEU 159 138 LYS 160 139 GLN 161 140 VAL 162 141 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Skp 'E. coli' 562 Bacteria . Escherichia coli 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 $Skp 'recombinant technology' . Escherichia coli . pET28b 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 $Skp 0.6 mM '[U-13C; U-15N; U-2H]' D2O 10 % 'natural abundance' DSS 50 uM 'natural abundance' MES 25 mM 'natural abundance' NaCl 150 mM 'natural abundance' urea 8 M 'natural abundance' H2O 90 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.0 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . Guntert . . 'Herrmann and Wuthrich' . . 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' collection processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Ascend _Field_strength 700 _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_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_5D_APSY_HNCOCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '5D APSY HNCOCACB' _Sample_label $sample_1 save_ save_4D_APSY_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '4D APSY HNCACB' _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' 150 . mM pH 6.5 . pH pressure 1 . atm temperature 288.15 . 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 HNCACB' '5D APSY HNCOCACB' '4D APSY HNCACB' 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 Skp _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 22 ALA H H 8.39 0.02 1 2 1 22 ALA C C 177.4 0.3 1 3 1 22 ALA CA C 51.8 0.3 1 4 1 22 ALA CB C 18.2 0.3 1 5 1 22 ALA N N 124.7 0.3 1 6 2 23 ASP H H 8.29 0.02 1 7 2 23 ASP C C 176.2 0.3 1 8 2 23 ASP CA C 54.0 0.3 1 9 2 23 ASP CB C 40.5 0.3 1 10 2 23 ASP N N 119.6 0.3 1 11 3 24 LYS H H 8.26 0.02 1 12 3 24 LYS C C 176.4 0.3 1 13 3 24 LYS CA C 55.9 0.3 1 14 3 24 LYS CB C 32.0 0.3 1 15 3 24 LYS N N 121.1 0.3 1 16 4 25 ILE H H 8.21 0.02 1 17 4 25 ILE C C 175.8 0.3 1 18 4 25 ILE CA C 60.2 0.3 1 19 4 25 ILE CB C 37.6 0.3 1 20 4 25 ILE N N 122.2 0.3 1 21 5 26 ALA H H 8.38 0.02 1 22 5 26 ALA C C 177.3 0.3 1 23 5 26 ALA CA C 51.6 0.3 1 24 5 26 ALA CB C 18.2 0.3 1 25 5 26 ALA N N 128.2 0.3 1 26 6 27 ILE H H 8.20 0.02 1 27 6 27 ILE C C 176.3 0.3 1 28 6 27 ILE CA C 60.4 0.3 1 29 6 27 ILE CB C 37.4 0.3 1 30 6 27 ILE N N 121.4 0.3 1 31 7 28 VAL H H 8.26 0.02 1 32 7 28 VAL C C 175.6 0.3 1 33 7 28 VAL CA C 61.5 0.3 1 34 7 28 VAL CB C 31.9 0.3 1 35 7 28 VAL N N 124.4 0.3 1 36 8 29 ASN H H 8.58 0.02 1 37 8 29 ASN C C 175.3 0.3 1 38 8 29 ASN CA C 52.6 0.3 1 39 8 29 ASN CB C 38.1 0.3 1 40 8 29 ASN N N 122.7 0.3 1 41 9 30 MET H H 8.56 0.02 1 42 9 30 MET C C 176.7 0.3 1 43 9 30 MET CA C 55.0 0.3 1 44 9 30 MET CB C 31.5 0.3 1 45 9 30 MET N N 122.1 0.3 1 46 10 31 GLY H H 8.40 0.02 1 47 10 31 GLY C C 173.9 0.3 1 48 10 31 GLY CA C 44.7 0.3 1 49 10 31 GLY N N 109.1 0.3 1 50 11 32 SER H H 8.22 0.02 1 51 11 32 SER C C 174.7 0.3 1 52 11 32 SER CA C 57.9 0.3 1 53 11 32 SER CB C 63.2 0.3 1 54 11 32 SER N N 115.4 0.3 1 55 12 33 LEU H H 8.26 0.02 1 56 12 33 LEU C C 177.1 0.3 1 57 12 33 LEU CA C 54.8 0.3 1 58 12 33 LEU CB C 41.1 0.3 1 59 12 33 LEU N N 123.7 0.3 1 60 13 34 PHE H H 8.21 0.02 1 61 13 34 PHE C C 175.6 0.3 1 62 13 34 PHE CA C 57.3 0.3 1 63 13 34 PHE CB C 38.6 0.3 1 64 13 34 PHE N N 120.1 0.3 1 65 14 35 GLN H H 8.26 0.02 1 66 14 35 GLN C C 175.5 0.3 1 67 14 35 GLN CA C 55.0 0.3 1 68 14 35 GLN CB C 28.8 0.3 1 69 14 35 GLN N N 121.9 0.3 1 70 15 36 GLN H H 8.41 0.02 1 71 15 36 GLN C C 175.5 0.3 1 72 15 36 GLN CA C 56.0 0.3 1 73 15 36 GLN CB C 29.5 0.3 1 74 15 36 GLN N N 122.0 0.3 1 75 16 37 VAL H H 8.27 0.02 1 76 16 37 VAL C C 175.8 0.3 1 77 16 37 VAL CA C 61.5 0.3 1 78 16 37 VAL CB C 31.9 0.3 1 79 16 37 VAL N N 121.5 0.3 1 80 17 38 ALA H H 8.40 0.02 1 81 17 38 ALA C C 177.6 0.3 1 82 17 38 ALA CA C 51.8 0.3 1 83 17 38 ALA CB C 18.1 0.3 1 84 17 38 ALA N N 127.5 0.3 1 85 18 39 GLN H H 8.41 0.02 1 86 18 39 GLN C C 176.0 0.3 1 87 18 39 GLN CA C 55.1 0.3 1 88 18 39 GLN CB C 28.7 0.3 1 89 18 39 GLN N N 120.3 0.3 1 90 19 40 LYS H H 8.54 0.02 1 91 19 40 LYS C C 176.7 0.3 1 92 19 40 LYS CA C 55.9 0.3 1 93 19 40 LYS CB C 32.1 0.3 1 94 19 40 LYS N N 123.2 0.3 1 95 20 41 THR H H 8.30 0.02 1 96 20 41 THR C C 175.1 0.3 1 97 20 41 THR CA C 61.4 0.3 1 98 20 41 THR CB C 69.6 0.3 1 99 20 41 THR N N 115.0 0.3 1 100 21 42 GLY H H 8.45 0.02 1 101 21 42 GLY C C 174.0 0.3 1 102 21 42 GLY CA C 44.6 0.3 1 103 21 42 GLY N N 110.8 0.3 1 104 22 43 VAL H H 8.04 0.02 1 105 22 43 VAL C C 176.3 0.3 1 106 22 43 VAL CA C 61.5 0.3 1 107 22 43 VAL CB C 32.0 0.3 1 108 22 43 VAL N N 118.6 0.3 1 109 23 44 SER H H 8.47 0.02 1 110 23 44 SER C C 174.4 0.3 1 111 23 44 SER CA C 57.8 0.3 1 112 23 44 SER CB C 63.2 0.3 1 113 23 44 SER N N 119.0 0.3 1 114 24 45 ASN H H 8.58 0.02 1 115 24 45 ASN C C 175.4 0.3 1 116 24 45 ASN CA C 52.9 0.3 1 117 24 45 ASN CB C 38.0 0.3 1 118 24 45 ASN N N 121.3 0.3 1 119 25 46 THR H H 8.21 0.02 1 120 25 46 THR C C 174.6 0.3 1 121 25 46 THR CA C 61.5 0.3 1 122 25 46 THR CB C 69.3 0.3 1 123 25 46 THR N N 114.2 0.3 1 124 26 47 LEU H H 8.31 0.02 1 125 26 47 LEU C C 177.5 0.3 1 126 26 47 LEU CA C 54.7 0.3 1 127 26 47 LEU CB C 41.1 0.3 1 128 26 47 LEU N N 123.9 0.3 1 129 27 48 GLU H H 8.43 0.02 1 130 27 48 GLU C C 176.4 0.3 1 131 27 48 GLU CA C 56.3 0.3 1 132 27 48 GLU CB C 29.3 0.3 1 133 27 48 GLU N N 121.1 0.3 1 134 28 49 ASN H H 8.43 0.02 1 135 28 49 ASN C C 175.2 0.3 1 136 28 49 ASN CA C 52.9 0.3 1 137 28 49 ASN CB C 38.2 0.3 1 138 28 49 ASN N N 119.1 0.3 1 139 29 50 GLU H H 8.36 0.02 1 140 29 50 GLU C C 176.1 0.3 1 141 29 50 GLU CA C 56.3 0.3 1 142 29 50 GLU CB C 29.3 0.3 1 143 29 50 GLU N N 121.2 0.3 1 144 30 51 PHE H H 8.37 0.02 1 145 30 51 PHE C C 175.8 0.3 1 146 30 51 PHE CA C 57.5 0.3 1 147 30 51 PHE CB C 38.3 0.3 1 148 30 51 PHE N N 121.3 0.3 1 149 31 52 LYS H H 8.25 0.02 1 150 31 52 LYS C C 176.7 0.3 1 151 31 52 LYS CA C 55.7 0.3 1 152 31 52 LYS CB C 32.0 0.3 1 153 31 52 LYS N N 123.8 0.3 1 154 32 53 GLY H H 7.76 0.02 1 155 32 53 GLY C C 173.8 0.3 1 156 32 53 GLY CA C 44.4 0.3 1 157 32 53 GLY N N 108.8 0.3 1 158 33 54 ARG H H 8.29 0.02 1 159 33 54 ARG C C 176.3 0.3 1 160 33 54 ARG CA C 55.5 0.3 1 161 33 54 ARG CB C 29.9 0.3 1 162 33 54 ARG N N 120.7 0.3 1 163 34 55 ALA H H 8.52 0.02 1 164 34 55 ALA C C 178.0 0.3 1 165 34 55 ALA CA C 52.2 0.3 1 166 34 55 ALA CB C 18.0 0.3 1 167 34 55 ALA N N 125.5 0.3 1 168 35 56 SER H H 8.34 0.02 1 169 35 56 SER C C 174.8 0.3 1 170 35 56 SER CA C 58.1 0.3 1 171 35 56 SER CB C 63.1 0.3 1 172 35 56 SER N N 115.0 0.3 1 173 36 57 GLU H H 8.46 0.02 1 174 36 57 GLU C C 176.5 0.3 1 175 36 57 GLU CA C 56.0 0.3 1 176 36 57 GLU CB C 29.2 0.3 1 177 36 57 GLU N N 122.6 0.3 1 178 37 58 LEU H H 8.19 0.02 1 179 37 58 LEU C C 177.4 0.3 1 180 37 58 LEU CA C 54.7 0.3 1 181 37 58 LEU CB C 41.0 0.3 1 182 37 58 LEU N N 122.4 0.3 1 183 38 59 GLN H H 8.42 0.02 1 184 38 59 GLN C C 176.0 0.3 1 185 38 59 GLN CA C 55.3 0.3 1 186 38 59 GLN CB C 28.5 0.3 1 187 38 59 GLN N N 121.3 0.3 1 188 39 60 ARG H H 8.45 0.02 1 189 39 60 ARG C C 176.2 0.3 1 190 39 60 ARG CA C 55.9 0.3 1 191 39 60 ARG CB C 29.6 0.3 1 192 39 60 ARG N N 122.7 0.3 1 193 40 61 MET H H 8.56 0.02 1 194 40 61 MET C C 176.3 0.3 1 195 40 61 MET CA C 54.9 0.3 1 196 40 61 MET CB C 32.1 0.3 1 197 40 61 MET N N 122.1 0.3 1 198 41 62 GLU H H 8.62 0.02 1 199 41 62 GLU C C 176.7 0.3 1 200 41 62 GLU CA C 56.2 0.3 1 201 41 62 GLU CB C 29.3 0.3 1 202 41 62 GLU N N 122.5 0.3 1 203 42 63 THR H H 8.23 0.02 1 204 42 63 THR C C 174.4 0.3 1 205 42 63 THR CA C 61.6 0.3 1 206 42 63 THR CB C 69.4 0.3 1 207 42 63 THR N N 114.6 0.3 1 208 43 64 ASP H H 8.46 0.02 1 209 43 64 ASP C C 176.6 0.3 1 210 43 64 ASP CA C 54.0 0.3 1 211 43 64 ASP CB C 40.4 0.3 1 212 43 64 ASP N N 122.5 0.3 1 213 44 65 LEU H H 8.25 0.02 1 214 44 65 LEU C C 177.9 0.3 1 215 44 65 LEU CA C 55.4 0.3 1 216 44 65 LEU CB C 40.9 0.3 1 217 44 65 LEU N N 122.6 0.3 1 218 45 66 GLN H H 8.29 0.02 1 219 45 66 GLN C C 176.5 0.3 1 220 45 66 GLN CA C 55.9 0.3 1 221 45 66 GLN CB C 28.1 0.3 1 222 45 66 GLN N N 119.4 0.3 1 223 46 67 ALA H H 8.11 0.02 1 224 46 67 ALA C C 178.1 0.3 1 225 46 67 ALA CA C 52.5 0.3 1 226 46 67 ALA CB C 17.9 0.3 1 227 46 67 ALA N N 123.8 0.3 1 228 47 68 LYS H H 8.18 0.02 1 229 47 68 LYS C C 177.0 0.3 1 230 47 68 LYS CA C 56.2 0.3 1 231 47 68 LYS CB C 31.9 0.3 1 232 47 68 LYS N N 119.7 0.3 1 233 48 69 MET H H 8.28 0.02 1 234 48 69 MET C C 176.4 0.3 1 235 48 69 MET CA C 55.2 0.3 1 236 48 69 MET CB C 32.0 0.3 1 237 48 69 MET N N 120.6 0.3 1 238 49 70 LYS H H 8.41 0.02 1 239 49 70 LYS C C 176.0 0.3 1 240 49 70 LYS CA C 55.9 0.3 1 241 49 70 LYS CB C 32.0 0.3 1 242 49 70 LYS N N 123.0 0.3 1 243 50 71 LYS H H 8.39 0.02 1 244 50 71 LYS C C 176.5 0.3 1 245 50 71 LYS CA C 55.9 0.3 1 246 50 71 LYS CB C 32.1 0.3 1 247 50 71 LYS N N 122.9 0.3 1 248 51 72 LEU H H 8.37 0.02 1 249 51 72 LEU C C 177.5 0.3 1 250 51 72 LEU CA C 54.6 0.3 1 251 51 72 LEU CB C 41.0 0.3 1 252 51 72 LEU N N 123.9 0.3 1 253 52 73 GLN H H 8.56 0.02 1 254 52 73 GLN C C 176.1 0.3 1 255 52 73 GLN CA C 55.2 0.3 1 256 52 73 GLN CB C 28.8 0.3 1 257 52 73 GLN N N 121.5 0.3 1 258 53 74 SER H H 8.42 0.02 1 259 53 74 SER C C 174.6 0.3 1 260 53 74 SER CA C 57.9 0.3 1 261 53 74 SER CB C 63.2 0.3 1 262 53 74 SER N N 117.1 0.3 1 263 54 75 MET H H 8.48 0.02 1 264 54 75 MET C C 176.3 0.3 1 265 54 75 MET CA C 54.9 0.3 1 266 54 75 MET CB C 32.1 0.3 1 267 54 75 MET N N 122.6 0.3 1 268 55 76 LYS H H 8.41 0.02 1 269 55 76 LYS C C 176.4 0.3 1 270 55 76 LYS CA C 55.9 0.3 1 271 55 76 LYS CB C 32.1 0.3 1 272 55 76 LYS N N 122.8 0.3 1 273 56 77 ALA H H 8.46 0.02 1 274 56 77 ALA C C 178.2 0.3 1 275 56 77 ALA CA C 52.0 0.3 1 276 56 77 ALA CB C 18.3 0.3 1 277 56 77 ALA N N 125.9 0.3 1 278 57 78 GLY H H 8.41 0.02 1 279 57 78 GLY C C 174.2 0.3 1 280 57 78 GLY CA C 44.5 0.3 1 281 57 78 GLY N N 108.4 0.3 1 282 58 79 SER H H 8.23 0.02 1 283 58 79 SER C C 174.6 0.3 1 284 58 79 SER CA C 58.0 0.3 1 285 58 79 SER CB C 63.3 0.3 1 286 58 79 SER N N 115.1 0.3 1 287 59 80 ASP H H 8.61 0.02 1 288 59 80 ASP C C 175.3 0.3 1 289 59 80 ASP CA C 53.0 0.3 1 290 59 80 ASP CB C 38.0 0.3 1 291 59 80 ASP N N 120.7 0.3 1 292 60 81 ARG H H 8.36 0.02 1 293 60 81 ARG C C 176.7 0.3 1 294 60 81 ARG CA C 56.1 0.3 1 295 60 81 ARG CB C 29.3 0.3 1 296 60 81 ARG N N 120.7 0.3 1 297 61 82 THR H H 8.28 0.02 1 298 61 82 THR C C 174.6 0.3 1 299 61 82 THR CA C 61.7 0.3 1 300 61 82 THR CB C 69.3 0.3 1 301 61 82 THR N N 114.8 0.3 1 302 62 83 LYS H H 8.25 0.02 1 303 62 83 LYS C C 176.2 0.3 1 304 62 83 LYS CA C 55.8 0.3 1 305 62 83 LYS CB C 32.0 0.3 1 306 62 83 LYS N N 123.5 0.3 1 307 63 84 LEU H H 8.31 0.02 1 308 63 84 LEU C C 177.4 0.3 1 309 63 84 LEU CA C 54.6 0.3 1 310 63 84 LEU CB C 41.0 0.3 1 311 63 84 LEU N N 123.7 0.3 1 312 64 85 GLU H H 8.50 0.02 1 313 64 85 GLU C C 176.5 0.3 1 314 64 85 GLU CA C 56.0 0.3 1 315 64 85 GLU CB C 29.4 0.3 1 316 64 85 GLU N N 122.2 0.3 1 317 65 86 LYS H H 8.38 0.02 1 318 65 86 LYS C C 176.3 0.3 1 319 65 86 LYS CA C 56.2 0.3 1 320 65 86 LYS CB C 32.2 0.3 1 321 65 86 LYS N N 121.6 0.3 1 322 66 87 ASP H H 8.44 0.02 1 323 66 87 ASP C C 176.5 0.3 1 324 66 87 ASP CA C 53.9 0.3 1 325 66 87 ASP CB C 40.5 0.3 1 326 66 87 ASP N N 121.4 0.3 1 327 67 88 VAL H H 8.14 0.02 1 328 67 88 VAL C C 176.5 0.3 1 329 67 88 VAL CA C 62.1 0.3 1 330 67 88 VAL CB C 31.5 0.3 1 331 67 88 VAL N N 120.3 0.3 1 332 68 89 MET H H 8.40 0.02 1 333 68 89 MET C C 176.3 0.3 1 334 68 89 MET CA C 54.8 0.3 1 335 68 89 MET CB C 31.7 0.3 1 336 68 89 MET N N 122.6 0.3 1 337 69 90 ALA H H 8.20 0.02 1 338 69 90 ALA C C 177.8 0.3 1 339 69 90 ALA CA C 52.0 0.3 1 340 69 90 ALA CB C 18.1 0.3 1 341 69 90 ALA N N 124.7 0.3 1 342 70 91 GLN H H 8.24 0.02 1 343 70 91 GLN C C 175.7 0.3 1 344 70 91 GLN CA C 55.7 0.3 1 345 70 91 GLN CB C 29.7 0.3 1 346 70 91 GLN N N 120.3 0.3 1 347 71 92 ARG H H 8.41 0.02 1 348 71 92 ARG C C 176.3 0.3 1 349 71 92 ARG CA C 56.2 0.3 1 350 71 92 ARG CB C 28.8 0.3 1 351 71 92 ARG N N 122.1 0.3 1 352 72 93 GLN H H 8.54 0.02 1 353 72 93 GLN C C 176.0 0.3 1 354 72 93 GLN CA C 55.2 0.3 1 355 72 93 GLN CB C 28.8 0.3 1 356 72 93 GLN N N 121.9 0.3 1 357 73 94 THR H H 8.25 0.02 1 358 73 94 THR C C 174.1 0.3 1 359 73 94 THR CA C 61.3 0.3 1 360 73 94 THR CB C 69.5 0.3 1 361 73 94 THR N N 115.6 0.3 1 362 74 95 PHE H H 8.34 0.02 1 363 74 95 PHE C C 175.4 0.3 1 364 74 95 PHE CA C 56.9 0.3 1 365 74 95 PHE CB C 38.9 0.3 1 366 74 95 PHE N N 122.0 0.3 1 367 75 96 ALA H H 8.34 0.02 1 368 75 96 ALA C C 177.4 0.3 1 369 75 96 ALA CA C 51.8 0.3 1 370 75 96 ALA CB C 18.2 0.3 1 371 75 96 ALA N N 125.1 0.3 1 372 76 97 GLN H H 8.33 0.02 1 373 76 97 GLN C C 176.1 0.3 1 374 76 97 GLN CA C 55.2 0.3 1 375 76 97 GLN CB C 28.6 0.3 1 376 76 97 GLN N N 120.0 0.3 1 377 77 98 LYS H H 8.44 0.02 1 378 77 98 LYS C C 176.3 0.3 1 379 77 98 LYS CA C 55.9 0.3 1 380 77 98 LYS CB C 32.2 0.3 1 381 77 98 LYS N N 123.0 0.3 1 382 78 99 ALA H H 8.41 0.02 1 383 78 99 ALA C C 177.7 0.3 1 384 78 99 ALA CA C 51.9 0.3 1 385 78 99 ALA CB C 18.0 0.3 1 386 78 99 ALA N N 125.4 0.3 1 387 79 100 GLN H H 8.40 0.02 1 388 79 100 GLN C C 175.7 0.3 1 389 79 100 GLN CA C 55.1 0.3 1 390 79 100 GLN CB C 28.7 0.3 1 391 79 100 GLN N N 119.9 0.3 1 392 80 101 ALA H H 8.33 0.02 1 393 80 101 ALA C C 177.4 0.3 1 394 80 101 ALA CA C 51.8 0.3 1 395 80 101 ALA CB C 18.2 0.3 1 396 80 101 ALA N N 125.0 0.3 1 397 81 102 PHE H H 8.22 0.02 1 398 81 102 PHE C C 175.8 0.3 1 399 81 102 PHE CA C 57.2 0.3 1 400 81 102 PHE CB C 38.7 0.3 1 401 81 102 PHE N N 119.3 0.3 1 402 82 103 GLU H H 8.41 0.02 1 403 82 103 GLU C C 176.4 0.3 1 404 82 103 GLU CA C 55.9 0.3 1 405 82 103 GLU CB C 29.3 0.3 1 406 82 103 GLU N N 122.5 0.3 1 407 83 104 GLN H H 8.38 0.02 1 408 83 104 GLN C C 175.9 0.3 1 409 83 104 GLN CA C 55.6 0.3 1 410 83 104 GLN CB C 28.6 0.3 1 411 83 104 GLN N N 121.1 0.3 1 412 84 105 ASP H H 8.46 0.02 1 413 84 105 ASP C C 176.5 0.3 1 414 84 105 ASP CA C 54.1 0.3 1 415 84 105 ASP CB C 40.5 0.3 1 416 84 105 ASP N N 121.3 0.3 1 417 85 106 ARG H H 8.27 0.02 1 418 85 106 ARG C C 176.3 0.3 1 419 85 106 ARG CA C 55.8 0.3 1 420 85 106 ARG CB C 29.5 0.3 1 421 85 106 ARG N N 121.5 0.3 1 422 86 107 ALA H H 8.26 0.02 1 423 86 107 ALA C C 177.7 0.3 1 424 86 107 ALA CA C 52.1 0.3 1 425 86 107 ALA CB C 18.0 0.3 1 426 86 107 ALA N N 123.9 0.3 1 427 87 108 ARG H H 8.32 0.02 1 428 87 108 ARG C C 176.1 0.3 1 429 87 108 ARG CA C 55.3 0.3 1 430 87 108 ARG CB C 28.5 0.3 1 431 87 108 ARG N N 119.4 0.3 1 432 88 109 ARG H H 8.42 0.02 1 433 88 109 ARG C C 176.4 0.3 1 434 88 109 ARG CA C 55.5 0.3 1 435 88 109 ARG CB C 29.9 0.3 1 436 88 109 ARG N N 122.4 0.3 1 437 89 110 SER H H 8.53 0.02 1 438 89 110 SER C C 174.6 0.3 1 439 89 110 SER CA C 57.9 0.3 1 440 89 110 SER CB C 63.2 0.3 1 441 89 110 SER N N 117.1 0.3 1 442 90 111 ASN H H 8.53 0.02 1 443 90 111 ASN C C 176.5 0.3 1 444 90 111 ASN CA C 53.8 0.3 1 445 90 111 ASN CB C 40.4 0.3 1 446 90 111 ASN N N 122.2 0.3 1 447 91 112 GLU H H 8.40 0.02 1 448 91 112 GLU C C 176.6 0.3 1 449 91 112 GLU CA C 56.1 0.3 1 450 91 112 GLU CB C 29.4 0.3 1 451 91 112 GLU N N 121.7 0.3 1 452 92 113 GLU H H 8.47 0.02 1 453 92 113 GLU C C 176.9 0.3 1 454 92 113 GLU CA C 55.5 0.3 1 455 92 113 GLU CB C 29.8 0.3 1 456 92 113 GLU N N 122.5 0.3 1 457 93 114 ARG H H 8.53 0.02 1 458 93 114 ARG C C 177.0 0.3 1 459 93 114 ARG CA C 56.0 0.3 1 460 93 114 ARG CB C 29.7 0.3 1 461 93 114 ARG N N 122.1 0.3 1 462 94 115 GLY H H 8.45 0.02 1 463 94 115 GLY C C 173.9 0.3 1 464 94 115 GLY CA C 44.5 0.3 1 465 94 115 GLY N N 109.5 0.3 1 466 95 116 LYS H H 8.14 0.02 1 467 95 116 LYS C C 176.7 0.3 1 468 95 116 LYS CA C 55.7 0.3 1 469 95 116 LYS CB C 32.2 0.3 1 470 95 116 LYS N N 120.8 0.3 1 471 96 117 LEU H H 8.40 0.02 1 472 96 117 LEU C C 177.1 0.3 1 473 96 117 LEU CA C 54.7 0.3 1 474 96 117 LEU CB C 41.1 0.3 1 475 96 117 LEU N N 124.0 0.3 1 476 97 118 VAL H H 8.38 0.02 1 477 97 118 VAL C C 176.3 0.3 1 478 97 118 VAL CA C 61.6 0.3 1 479 97 118 VAL CB C 31.8 0.3 1 480 97 118 VAL N N 122.6 0.3 1 481 98 119 THR H H 8.32 0.02 1 482 98 119 THR C C 174.2 0.3 1 483 98 119 THR CA C 61.3 0.3 1 484 98 119 THR CB C 69.4 0.3 1 485 98 119 THR N N 119.0 0.3 1 486 99 120 ARG H H 8.44 0.02 1 487 99 120 ARG C C 176.0 0.3 1 488 99 120 ARG CA C 55.4 0.3 1 489 99 120 ARG CB C 29.8 0.3 1 490 99 120 ARG N N 124.0 0.3 1 491 100 121 ILE H H 8.37 0.02 1 492 100 121 ILE C C 176.2 0.3 1 493 100 121 ILE CA C 60.5 0.3 1 494 100 121 ILE CB C 37.6 0.3 1 495 100 121 ILE N N 123.1 0.3 1 496 101 122 GLN H H 8.61 0.02 1 497 101 122 GLN C C 175.9 0.3 1 498 101 122 GLN CA C 55.0 0.3 1 499 101 122 GLN CB C 28.8 0.3 1 500 101 122 GLN N N 125.1 0.3 1 501 102 123 THR H H 8.27 0.02 1 502 102 123 THR C C 174.1 0.3 1 503 102 123 THR CA C 61.3 0.3 1 504 102 123 THR CB C 69.4 0.3 1 505 102 123 THR N N 116.2 0.3 1 506 103 124 ALA H H 8.37 0.02 1 507 103 124 ALA C C 177.5 0.3 1 508 103 124 ALA CA C 51.7 0.3 1 509 103 124 ALA CB C 18.2 0.3 1 510 103 124 ALA N N 126.3 0.3 1 511 104 125 VAL H H 8.17 0.02 1 512 104 125 VAL C C 176.2 0.3 1 513 104 125 VAL CA C 61.6 0.3 1 514 104 125 VAL CB C 31.8 0.3 1 515 104 125 VAL N N 120.0 0.3 1 516 105 126 LYS H H 8.47 0.02 1 517 105 126 LYS C C 176.4 0.3 1 518 105 126 LYS CA C 55.7 0.3 1 519 105 126 LYS CB C 32.2 0.3 1 520 105 126 LYS N N 125.5 0.3 1 521 106 127 SER H H 8.44 0.02 1 522 106 127 SER C C 174.5 0.3 1 523 106 127 SER CA C 57.6 0.3 1 524 106 127 SER CB C 63.2 0.3 1 525 106 127 SER N N 117.9 0.3 1 526 107 128 VAL H H 8.28 0.02 1 527 107 128 VAL C C 175.8 0.3 1 528 107 128 VAL CA C 61.5 0.3 1 529 107 128 VAL CB C 31.9 0.3 1 530 107 128 VAL N N 121.6 0.3 1 531 108 129 ALA H H 8.36 0.02 1 532 108 129 ALA C C 177.4 0.3 1 533 108 129 ALA CA C 51.9 0.3 1 534 108 129 ALA CB C 18.2 0.3 1 535 108 129 ALA N N 126.8 0.3 1 536 109 130 ASN H H 8.44 0.02 1 537 109 130 ASN C C 175.4 0.3 1 538 109 130 ASN CA C 52.7 0.3 1 539 109 130 ASN CB C 38.2 0.3 1 540 109 130 ASN N N 118.0 0.3 1 541 110 131 SER H H 8.36 0.02 1 542 110 131 SER C C 174.6 0.3 1 543 110 131 SER CA C 58.2 0.3 1 544 110 131 SER CB C 63.1 0.3 1 545 110 131 SER N N 116.2 0.3 1 546 111 132 GLN H H 8.47 0.02 1 547 111 132 GLN C C 175.6 0.3 1 548 111 132 GLN CA C 55.4 0.3 1 549 111 132 GLN CB C 28.7 0.3 1 550 111 132 GLN N N 121.3 0.3 1 551 112 133 ASP H H 8.33 0.02 1 552 112 133 ASP C C 176.2 0.3 1 553 112 133 ASP CA C 54.1 0.3 1 554 112 133 ASP CB C 40.4 0.3 1 555 112 133 ASP N N 121.2 0.3 1 556 113 134 ILE H H 8.00 0.02 1 557 113 134 ILE C C 175.7 0.3 1 558 113 134 ILE CA C 60.8 0.3 1 559 113 134 ILE CB C 37.9 0.3 1 560 113 134 ILE N N 119.9 0.3 1 561 114 135 ASP H H 8.38 0.02 1 562 114 135 ASP C C 175.9 0.3 1 563 114 135 ASP CA C 53.8 0.3 1 564 114 135 ASP CB C 40.5 0.3 1 565 114 135 ASP N N 123.2 0.3 1 566 115 136 LEU H H 8.05 0.02 1 567 115 136 LEU C C 177.0 0.3 1 568 115 136 LEU CA C 54.6 0.3 1 569 115 136 LEU CB C 41.2 0.3 1 570 115 136 LEU N N 122.4 0.3 1 571 116 137 VAL H H 8.25 0.02 1 572 116 137 VAL C C 176.2 0.3 1 573 116 137 VAL CA C 61.8 0.3 1 574 116 137 VAL CB C 31.5 0.3 1 575 116 137 VAL N N 122.5 0.3 1 576 117 138 VAL H H 8.25 0.02 1 577 117 138 VAL C C 175.7 0.3 1 578 117 138 VAL CA C 61.5 0.3 1 579 117 138 VAL CB C 32.0 0.3 1 580 117 138 VAL N N 124.3 0.3 1 581 118 139 ASP H H 8.40 0.02 1 582 118 139 ASP C C 176.3 0.3 1 583 118 139 ASP CA C 53.4 0.3 1 584 118 139 ASP CB C 40.8 0.3 1 585 118 139 ASP N N 124.1 0.3 1 586 119 140 ALA H H 8.41 0.02 1 587 119 140 ALA C C 177.8 0.3 1 588 119 140 ALA CA C 52.8 0.3 1 589 119 140 ALA CB C 17.9 0.3 1 590 119 140 ALA N N 125.3 0.3 1 591 120 141 ASN H H 8.42 0.02 1 592 120 141 ASN C C 175.0 0.3 1 593 120 141 ASN CA C 52.8 0.3 1 594 120 141 ASN CB C 38.1 0.3 1 595 120 141 ASN N N 116.0 0.3 1 596 121 142 ALA H H 7.90 0.02 1 597 121 142 ALA C C 177.4 0.3 1 598 121 142 ALA CA C 52.0 0.3 1 599 121 142 ALA CB C 18.2 0.3 1 600 121 142 ALA N N 123.4 0.3 1 601 122 143 VAL H H 7.97 0.02 1 602 122 143 VAL C C 175.7 0.3 1 603 122 143 VAL CA C 61.5 0.3 1 604 122 143 VAL CB C 31.8 0.3 1 605 122 143 VAL N N 118.9 0.3 1 606 123 144 ALA H H 8.26 0.02 1 607 123 144 ALA C C 177.2 0.3 1 608 123 144 ALA CA C 51.5 0.3 1 609 123 144 ALA CB C 18.3 0.3 1 610 123 144 ALA N N 127.0 0.3 1 611 124 145 TYR H H 8.20 0.02 1 612 124 145 TYR C C 175.5 0.3 1 613 124 145 TYR CA C 57.5 0.3 1 614 124 145 TYR CB C 38.0 0.3 1 615 124 145 TYR N N 120.1 0.3 1 616 125 146 ASN H H 8.44 0.02 1 617 125 146 ASN C C 175.1 0.3 1 618 125 146 ASN CA C 52.4 0.3 1 619 125 146 ASN CB C 38.4 0.3 1 620 125 146 ASN N N 121.0 0.3 1 621 126 147 SER H H 8.35 0.02 1 622 126 147 SER C C 174.7 0.3 1 623 126 147 SER CA C 58.1 0.3 1 624 126 147 SER CB C 63.2 0.3 1 625 126 147 SER N N 116.8 0.3 1 626 127 148 SER H H 8.39 0.02 1 627 127 148 SER C C 174.2 0.3 1 628 127 148 SER CA C 58.1 0.3 1 629 127 148 SER CB C 63.1 0.3 1 630 127 148 SER N N 117.2 0.3 1 631 128 149 ASP H H 8.31 0.02 1 632 128 149 ASP C C 176.1 0.3 1 633 128 149 ASP CA C 53.9 0.3 1 634 128 149 ASP CB C 40.6 0.3 1 635 128 149 ASP N N 122.2 0.3 1 636 129 150 VAL H H 8.00 0.02 1 637 129 150 VAL C C 176.1 0.3 1 638 129 150 VAL CA C 61.7 0.3 1 639 129 150 VAL CB C 31.5 0.3 1 640 129 150 VAL N N 120.2 0.3 1 641 130 151 LYS H H 8.41 0.02 1 642 130 151 LYS C C 176.2 0.3 1 643 130 151 LYS CA C 55.8 0.3 1 644 130 151 LYS CB C 32.2 0.3 1 645 130 151 LYS N N 124.9 0.3 1 646 131 152 ASP H H 8.38 0.02 1 647 131 152 ASP C C 176.4 0.3 1 648 131 152 ASP CA C 53.6 0.3 1 649 131 152 ASP CB C 40.5 0.3 1 650 131 152 ASP N N 121.5 0.3 1 651 132 153 ILE H H 8.21 0.02 1 652 132 153 ILE C C 176.5 0.3 1 653 132 153 ILE CA C 61.2 0.3 1 654 132 153 ILE CB C 37.6 0.3 1 655 132 153 ILE N N 121.1 0.3 1 656 133 154 THR H H 8.23 0.02 1 657 133 154 THR C C 174.4 0.3 1 658 133 154 THR CA C 61.5 0.3 1 659 133 154 THR CB C 69.3 0.3 1 660 133 154 THR N N 116.8 0.3 1 661 134 155 ALA H H 8.14 0.02 1 662 134 155 ALA C C 177.3 0.3 1 663 134 155 ALA CA C 51.9 0.3 1 664 134 155 ALA CB C 18.3 0.3 1 665 134 155 ALA N N 125.4 0.3 1 666 135 156 ASP H H 8.29 0.02 1 667 135 156 ASP C C 176.4 0.3 1 668 135 156 ASP CA C 53.8 0.3 1 669 135 156 ASP CB C 40.6 0.3 1 670 135 156 ASP N N 119.7 0.3 1 671 136 157 VAL H H 8.01 0.02 1 672 136 157 VAL C C 176.2 0.3 1 673 136 157 VAL CA C 61.8 0.3 1 674 136 157 VAL CB C 31.5 0.3 1 675 136 157 VAL N N 119.7 0.3 1 676 137 158 LEU H H 8.25 0.02 1 677 137 158 LEU C C 177.3 0.3 1 678 137 158 LEU CA C 54.6 0.3 1 679 137 158 LEU CB C 40.9 0.3 1 680 137 158 LEU N N 124.6 0.3 1 681 138 159 LYS H H 8.31 0.02 1 682 138 159 LYS C C 176.6 0.3 1 683 138 159 LYS CA C 55.8 0.3 1 684 138 159 LYS CB C 32.0 0.3 1 685 138 159 LYS N N 122.5 0.3 1 686 139 160 GLN H H 8.44 0.02 1 687 139 160 GLN C C 175.8 0.3 1 688 139 160 GLN CA C 55.2 0.3 1 689 139 160 GLN CB C 28.8 0.3 1 690 139 160 GLN N N 122.0 0.3 1 691 140 161 VAL H H 8.31 0.02 1 692 140 161 VAL C C 175.2 0.3 1 693 140 161 VAL CA C 61.7 0.3 1 694 140 161 VAL CB C 31.9 0.3 1 695 140 161 VAL N N 122.3 0.3 1 696 141 162 LYS H H 8.06 0.02 1 697 141 162 LYS CA C 57.4 0.3 1 698 141 162 LYS CB C 32.7 0.3 1 699 141 162 LYS N N 130.0 0.3 1 stop_ save_