data_34011 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the bacterial toxin LdrD in Tetrafluorethanol ; _BMRB_accession_number 34011 _BMRB_flat_file_name bmr34011.str _Entry_type original _Submission_date 2016-06-16 _Accession_date 2016-06-16 _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 Meyer N. H. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 177 "13C chemical shifts" 118 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-07-26 original BMRB . stop_ _Original_release_date 2016-11-11 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the bacterial toxin LdrD in Tetrafluorethanol ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Meyer N. H. . stop_ _Journal_abbreviation 'to be published' _Journal_volume . _Journal_issue . _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Small toxic polypeptide LdrD' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Small toxic polypeptide LdrD' _Molecular_mass 3920.710 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 35 _Mol_residue_sequence ; MTFAELGMAFWHDLAAPVIA GILASMIVNWLNKRK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 THR 3 3 PHE 4 4 ALA 5 5 GLU 6 6 LEU 7 7 GLY 8 8 MET 9 9 ALA 10 10 PHE 11 11 TRP 12 12 HIS 13 13 ASP 14 14 LEU 15 15 ALA 16 16 ALA 17 17 PRO 18 18 VAL 19 19 ILE 20 20 ALA 21 21 GLY 22 22 ILE 23 23 LEU 24 24 ALA 25 25 SER 26 26 MET 27 27 ILE 28 28 VAL 29 29 ASN 30 30 TRP 31 31 LEU 32 32 ASN 33 33 LYS 34 34 ARG 35 35 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 $entity_1 'Escherichia 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 $entity_1 'chemical synthesis' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '1 mM 1H LdrD, trifluoroethanol/water' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 mM 1H stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name CNS _Version 1.3 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_software_2 _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_4 _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _Sample_label $sample_1 save_ save_2D_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D TOCSY' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _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' 0 . mM pH 7 . pH pressure 1 . bar temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 HDO C 13 protons ppm 4.78 internal indirect . . . 0.251449519 HDO H 1 protons ppm 4.78 internal direct . . . 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_4 stop_ loop_ _Experiment_label '2D NOESY' '2D TOCSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _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 HA H 4.048 0.002 1 2 1 1 MET HB2 H 1.792 0.003 . 3 1 1 MET HB3 H 1.792 0.003 . 4 1 1 MET HG2 H 2.253 0.005 . 5 1 1 MET HG3 H 2.158 0.006 . 6 1 1 MET CB C 31.653 0.150 1 7 1 1 MET CG C 30.717 0.150 1 8 1 1 MET CE C 15.269 0.150 1 9 2 2 THR H H 7.638 0.003 1 10 2 2 THR HA H 4.275 0.002 1 11 2 2 THR HB H 4.092 0.003 1 12 2 2 THR CA C 59.877 0.150 1 13 2 2 THR CB C 71.769 0.150 1 14 3 3 PHE H H 7.142 0.001 1 15 3 3 PHE HA H 4.037 0.006 1 16 3 3 PHE HB2 H 2.808 0.001 . 17 3 3 PHE HB3 H 2.702 0.007 . 18 3 3 PHE HZ H 6.914 0.015 1 19 3 3 PHE CA C 60.210 0.150 1 20 3 3 PHE CB C 38.206 0.001 1 21 3 3 PHE CD1 C 130.642 0.150 . 22 3 3 PHE CD2 C 130.642 0.150 . 23 3 3 PHE CE1 C 130.881 0.150 . 24 3 3 PHE CE2 C 130.881 0.150 . 25 3 3 PHE CZ C 129.630 0.150 1 26 4 4 ALA H H 6.694 0.001 1 27 4 4 ALA HA H 3.760 0.007 1 28 4 4 ALA CA C 54.398 0.150 1 29 4 4 ALA CB C 17.233 0.150 1 30 5 5 GLU H H 6.956 0.001 1 31 5 5 GLU HA H 3.682 0.003 1 32 5 5 GLU HB2 H 1.932 0.008 . 33 5 5 GLU HB3 H 1.789 0.012 . 34 5 5 GLU HG2 H 2.125 0.007 . 35 5 5 GLU HG3 H 2.057 0.003 . 36 5 5 GLU CA C 58.218 0.150 1 37 5 5 GLU CB C 28.458 0.150 1 38 5 5 GLU CG C 33.074 0.150 1 39 6 6 LEU H H 7.276 0.001 1 40 6 6 LEU HA H 3.793 0.001 1 41 6 6 LEU HB2 H 1.383 0.001 . 42 6 6 LEU HB3 H 1.331 0.009 . 43 6 6 LEU HG H 1.289 0.022 1 44 6 6 LEU CA C 57.642 0.150 1 45 6 6 LEU CB C 41.377 0.150 1 46 6 6 LEU CG C 26.513 0.150 1 47 6 6 LEU CD1 C 23.252 0.150 . 48 6 6 LEU CD2 C 22.823 0.150 . 49 7 7 GLY H H 7.818 0.001 1 50 7 7 GLY HA2 H 3.442 0.004 . 51 7 7 GLY HA3 H 3.511 0.019 . 52 7 7 GLY CA C 46.642 0.150 1 53 8 8 MET H H 7.543 0.001 1 54 8 8 MET HA H 4.149 0.002 1 55 8 8 MET HB2 H 1.988 0.004 . 56 8 8 MET HB3 H 1.795 0.007 . 57 8 8 MET HG2 H 2.376 0.004 . 58 8 8 MET HG3 H 2.314 0.002 . 59 8 8 MET CA C 57.946 0.150 1 60 8 8 MET CB C 32.028 0.150 1 61 8 8 MET CG C 31.948 0.001 1 62 8 8 MET CE C 15.787 0.150 1 63 9 9 ALA H H 7.829 0.003 1 64 9 9 ALA HA H 3.787 0.003 1 65 9 9 ALA CA C 55.278 0.150 1 66 9 9 ALA CB C 16.842 0.150 1 67 10 10 PHE H H 8.176 0.015 1 68 10 10 PHE HA H 3.936 0.002 1 69 10 10 PHE HB2 H 2.849 0.001 . 70 10 10 PHE HB3 H 2.812 0.002 . 71 10 10 PHE HZ H 6.735 0.003 1 72 10 10 PHE CA C 60.851 0.150 1 73 10 10 PHE CB C 38.474 0.150 1 74 10 10 PHE CD1 C 130.704 0.150 . 75 10 10 PHE CD2 C 130.704 0.150 . 76 10 10 PHE CE1 C 130.469 0.150 . 77 10 10 PHE CE2 C 130.469 0.150 . 78 10 10 PHE CZ C 129.022 0.150 1 79 11 11 TRP H H 8.030 0.001 1 80 11 11 TRP HA H 3.989 0.001 1 81 11 11 TRP HB2 H 3.056 0.002 . 82 11 11 TRP HB3 H 3.012 0.002 . 83 11 11 TRP HD1 H 6.849 0.001 1 84 11 11 TRP HE1 H 8.665 0.001 1 85 11 11 TRP HE3 H 7.097 0.002 1 86 11 11 TRP HZ2 H 7.003 0.015 1 87 11 11 TRP HZ3 H 6.625 0.015 1 88 11 11 TRP HH2 H 6.790 0.015 1 89 11 11 TRP CA C 60.039 0.150 1 90 11 11 TRP CB C 28.530 0.001 1 91 11 11 TRP CD1 C 126.092 0.150 1 92 11 11 TRP CZ2 C 113.612 0.150 1 93 12 12 HIS H H 7.777 0.015 1 94 12 12 HIS HA H 3.766 0.007 1 95 12 12 HIS HB2 H 3.018 0.001 . 96 12 12 HIS HB3 H 3.018 0.001 . 97 12 12 HIS HD1 H 6.900 0.015 1 98 12 12 HIS HE1 H 8.003 0.015 1 99 12 12 HIS CA C 59.076 0.150 1 100 12 12 HIS CB C 27.220 0.150 1 101 12 12 HIS CD2 C 119.577 0.150 1 102 12 12 HIS CE1 C 134.812 0.150 1 103 13 13 ASP H H 7.910 0.001 1 104 13 13 ASP HA H 4.161 0.001 1 105 13 13 ASP HB2 H 2.756 0.006 . 106 13 13 ASP HB3 H 2.512 0.002 . 107 13 13 ASP CA C 54.539 0.150 1 108 13 13 ASP CB C 36.338 0.150 1 109 14 14 LEU H H 7.425 0.001 1 110 14 14 LEU HA H 3.788 0.001 1 111 14 14 LEU HB2 H 1.260 0.005 . 112 14 14 LEU HB3 H 1.069 0.007 . 113 14 14 LEU HG H 1.192 0.001 1 114 14 14 LEU CA C 56.572 0.150 1 115 14 14 LEU CB C 41.927 0.150 1 116 14 14 LEU CG C 26.414 0.150 1 117 14 14 LEU CD1 C 22.042 0.150 . 118 14 14 LEU CD2 C 22.042 0.150 . 119 15 15 ALA H H 7.245 0.003 1 120 15 15 ALA HA H 3.858 0.001 1 121 15 15 ALA CA C 52.740 0.150 1 122 15 15 ALA CB C 17.907 0.150 1 123 16 16 ALA H H 7.256 0.001 1 124 16 16 ALA HA H 3.750 0.002 1 125 16 16 ALA CA C 55.801 0.150 1 126 16 16 ALA CB C 14.994 0.150 1 127 17 17 PRO HA H 3.908 0.002 1 128 17 17 PRO HB2 H 1.928 0.001 . 129 17 17 PRO HB3 H 1.403 0.002 . 130 17 17 PRO HG2 H 1.714 0.003 . 131 17 17 PRO HG3 H 1.527 0.003 . 132 17 17 PRO HD2 H 3.251 0.002 . 133 17 17 PRO HD3 H 3.251 0.002 . 134 17 17 PRO CA C 65.410 0.150 1 135 17 17 PRO CB C 30.498 0.150 1 136 17 17 PRO CG C 27.625 0.001 1 137 17 17 PRO CD C 49.717 0.150 1 138 18 18 VAL H H 6.905 0.001 1 139 18 18 VAL HA H 3.395 0.001 1 140 18 18 VAL HB H 1.941 0.001 1 141 18 18 VAL CA C 65.393 0.150 1 142 18 18 VAL CB C 31.516 0.150 1 143 18 18 VAL CG1 C 20.833 0.150 . 144 18 18 VAL CG2 C 19.821 0.150 . 145 19 19 ILE H H 7.571 0.001 1 146 19 19 ILE HA H 3.338 0.002 1 147 19 19 ILE HB H 1.544 0.015 1 148 19 19 ILE HG12 H 0.872 0.011 . 149 19 19 ILE HG13 H 0.872 0.011 . 150 19 19 ILE CA C 64.307 0.150 1 151 19 19 ILE CB C 37.310 0.150 1 152 19 19 ILE CG1 C 28.092 0.150 1 153 19 19 ILE CG2 C 16.094 0.150 1 154 19 19 ILE CD1 C 11.118 0.150 1 155 20 20 ALA H H 8.166 0.015 1 156 20 20 ALA HA H 3.678 0.003 1 157 20 20 ALA CA C 55.192 0.150 1 158 20 20 ALA CB C 16.996 0.150 1 159 21 21 GLY H H 7.224 0.005 1 160 21 21 GLY HA2 H 3.545 0.015 . 161 21 21 GLY HA3 H 3.545 0.015 . 162 21 21 GLY CA C 46.314 0.150 1 163 22 22 ILE H H 7.933 0.002 1 164 22 22 ILE HA H 3.369 0.006 1 165 22 22 ILE HB H 1.740 0.008 1 166 22 22 ILE HG12 H 1.548 0.001 . 167 22 22 ILE HG13 H 1.548 0.001 . 168 22 22 ILE CA C 65.320 0.150 1 169 22 22 ILE CB C 37.653 0.150 1 170 22 22 ILE CG1 C 28.034 0.150 1 171 22 22 ILE CG2 C 15.877 0.150 1 172 23 23 LEU H H 8.244 0.001 1 173 23 23 LEU HA H 3.792 0.015 1 174 23 23 LEU HB2 H 1.497 0.004 . 175 23 23 LEU HB3 H 1.497 0.004 . 176 23 23 LEU HG H 1.221 0.015 1 177 23 23 LEU CA C 58.274 0.150 1 178 23 23 LEU CB C 41.101 0.150 1 179 23 23 LEU CG C 26.490 0.150 1 180 23 23 LEU CD1 C 23.651 0.064 . 181 23 23 LEU CD2 C 23.620 0.150 . 182 24 24 ALA H H 8.086 0.001 1 183 24 24 ALA HA H 3.723 0.002 1 184 24 24 ALA CA C 55.305 0.150 1 185 24 24 ALA CB C 16.842 0.150 1 186 25 25 SER H H 7.566 0.001 1 187 25 25 SER HA H 3.788 0.001 1 188 25 25 SER HB2 H 3.665 0.003 . 189 25 25 SER HB3 H 3.665 0.003 . 190 25 25 SER CA C 61.802 0.150 1 191 26 26 MET H H 7.828 0.002 1 192 26 26 MET HA H 3.872 0.003 1 193 26 26 MET HB2 H 1.765 0.001 . 194 26 26 MET HB3 H 2.141 0.004 . 195 26 26 MET HG2 H 2.449 0.009 . 196 26 26 MET HG3 H 2.212 0.007 . 197 26 26 MET CA C 58.743 0.150 1 198 26 26 MET CB C 32.002 0.150 1 199 26 26 MET CG C 31.904 0.001 1 200 26 26 MET CE C 15.631 0.150 1 201 27 27 ILE H H 7.937 0.002 1 202 27 27 ILE HA H 3.504 0.003 1 203 27 27 ILE HB H 1.733 0.012 1 204 27 27 ILE HG12 H 1.488 0.001 . 205 27 27 ILE HG13 H 1.488 0.001 . 206 27 27 ILE CA C 57.582 0.150 1 207 27 27 ILE CB C 37.912 0.150 1 208 27 27 ILE CG2 C 16.101 0.150 1 209 28 28 VAL H H 8.362 0.015 1 210 28 28 VAL HA H 3.316 0.003 1 211 28 28 VAL HB H 1.799 0.003 1 212 28 28 VAL CA C 67.094 0.150 1 213 28 28 VAL CB C 31.350 0.150 1 214 28 28 VAL CG1 C 21.607 0.001 . 215 28 28 VAL CG2 C 20.183 0.150 . 216 29 29 ASN H H 7.611 0.002 1 217 29 29 ASN HA H 4.090 0.015 1 218 29 29 ASN HB2 H 2.690 0.015 . 219 29 29 ASN HB3 H 2.346 0.006 . 220 29 29 ASN HD21 H 7.283 0.015 . 221 29 29 ASN HD22 H 5.863 0.015 . 222 29 29 ASN CA C 56.641 0.150 1 223 29 29 ASN CB C 38.806 0.150 1 224 30 30 TRP H H 7.881 0.001 1 225 30 30 TRP HA H 4.091 0.001 1 226 30 30 TRP HB2 H 3.258 0.004 . 227 30 30 TRP HB3 H 3.064 0.006 . 228 30 30 TRP HD1 H 6.730 0.001 1 229 30 30 TRP HE1 H 8.712 0.001 1 230 30 30 TRP HE3 H 7.210 0.006 1 231 30 30 TRP HZ2 H 7.025 0.015 1 232 30 30 TRP HZ3 H 6.732 0.015 1 233 30 30 TRP HH2 H 6.818 0.005 1 234 30 30 TRP CA C 60.365 0.150 1 235 30 30 TRP CB C 28.907 0.150 1 236 31 31 LEU H H 8.558 0.001 1 237 31 31 LEU HA H 3.508 0.015 1 238 31 31 LEU HB2 H 1.650 0.002 . 239 31 31 LEU HB3 H 1.650 0.002 . 240 31 31 LEU HG H 1.707 0.003 1 241 31 31 LEU CB C 41.925 0.150 1 242 31 31 LEU CG C 26.378 0.150 1 243 31 31 LEU CD1 C 24.414 0.150 . 244 31 31 LEU CD2 C 24.414 0.150 . 245 32 32 ASN H H 7.796 0.002 1 246 32 32 ASN HA H 4.169 0.001 1 247 32 32 ASN HB2 H 2.591 0.010 . 248 32 32 ASN HB3 H 2.401 0.005 . 249 32 32 ASN HD21 H 6.717 0.003 . 250 32 32 ASN HD22 H 5.792 0.001 . 251 32 32 ASN CA C 54.095 0.150 1 252 32 32 ASN CB C 37.884 0.150 1 253 33 33 LYS H H 7.105 0.001 1 254 33 33 LYS HA H 3.838 0.001 1 255 33 33 LYS HB2 H 1.423 0.009 . 256 33 33 LYS HB3 H 1.423 0.009 . 257 33 33 LYS HG2 H 1.125 0.004 . 258 33 33 LYS HG3 H 1.125 0.004 . 259 33 33 LYS HD2 H 1.496 0.006 . 260 33 33 LYS HD3 H 1.496 0.006 . 261 33 33 LYS HE2 H 2.528 0.003 . 262 33 33 LYS HE3 H 2.528 0.003 . 263 33 33 LYS HZ H 6.086 0.001 1 264 33 33 LYS CA C 55.980 0.150 1 265 33 33 LYS CB C 31.820 0.150 1 266 33 33 LYS CG C 24.047 0.150 1 267 33 33 LYS CD C 26.462 0.150 1 268 33 33 LYS CE C 42.578 0.150 1 269 34 34 ARG H H 7.313 0.001 1 270 34 34 ARG HA H 3.749 0.001 1 271 34 34 ARG HB2 H 1.374 0.005 . 272 34 34 ARG HB3 H 1.262 0.015 . 273 34 34 ARG HG2 H 1.125 0.004 . 274 34 34 ARG HG3 H 1.125 0.004 . 275 34 34 ARG HD2 H 2.528 0.015 . 276 34 34 ARG HD3 H 2.528 0.015 . 277 34 34 ARG CA C 56.647 0.150 1 278 34 34 ARG CB C 29.047 0.150 1 279 34 34 ARG CG C 26.151 0.150 1 280 34 34 ARG CD C 42.578 0.150 1 281 35 35 LYS H H 6.998 0.002 1 282 35 35 LYS HA H 3.994 0.003 1 283 35 35 LYS HB2 H 1.567 0.008 . 284 35 35 LYS HB3 H 1.409 0.006 . 285 35 35 LYS HG2 H 1.023 0.011 . 286 35 35 LYS HG3 H 1.023 0.011 . 287 35 35 LYS HD2 H 1.250 0.017 . 288 35 35 LYS HD3 H 1.250 0.017 . 289 35 35 LYS HE2 H 2.474 0.005 . 290 35 35 LYS HE3 H 2.474 0.005 . 291 35 35 LYS CA C 54.402 0.150 1 292 35 35 LYS CB C 31.870 0.150 1 293 35 35 LYS CG C 23.720 0.150 1 294 35 35 LYS CD C 28.037 0.150 1 295 35 35 LYS CE C 42.353 0.150 1 stop_ save_