data_26592 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; The LcrG tip chaperone protein of the Yersinia pestis type III secretion system is partially folded ; _BMRB_accession_number 26592 _BMRB_flat_file_name bmr26592.str _Entry_type original _Submission_date 2015-06-22 _Accession_date 2015-06-22 _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 'De Guzman' Roberto . . 2 Chaudhury Sukanya . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 78 "13C chemical shifts" 163 "15N chemical shifts" 78 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-12-18 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 26591 PcrG9-76 stop_ _Original_release_date 2015-12-18 save_ ############################# # Citation for this entry # ############################# save_LcrG_JMB _Saveframe_category entry_citation _Citation_full . _Citation_title ; The LcrG Tip Chaperone Protein of the Yersinia pestis Type III Secretion System Is Partially Folded ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26259880 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chaudhury Sukanya . . 2 Souza Clarice . . 3 Plano Gregory V. . 4 'De Guzman' Roberto N. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 427 _Journal_issue 19 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 3096 _Page_last 3109 _Year 2015 _Details . loop_ _Keyword LcrG NMR 'type III secretion' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name LcrG _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'LcrG 7-73' $LcrG stop_ _System_molecular_weight 7668 _System_physical_state 'partially disordered' _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_LcrG _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common LcrG _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function 'chaperone to type III secretion system tip protein LcrV' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 67 _Mol_residue_sequence ; DEYDKTLKQAELAIADSDHR AKLLQEMSADIGLTPEAVMK IFAGRSAEEIKPAERELLDE IKRQRER ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 7 ASP 2 8 GLU 3 9 TYR 4 10 ASP 5 11 LYS 6 12 THR 7 13 LEU 8 14 LYS 9 15 GLN 10 16 ALA 11 17 GLU 12 18 LEU 13 19 ALA 14 20 ILE 15 21 ALA 16 22 ASP 17 23 SER 18 24 ASP 19 25 HIS 20 26 ARG 21 27 ALA 22 28 LYS 23 29 LEU 24 30 LEU 25 31 GLN 26 32 GLU 27 33 MET 28 34 SER 29 35 ALA 30 36 ASP 31 37 ILE 32 38 GLY 33 39 LEU 34 40 THR 35 41 PRO 36 42 GLU 37 43 ALA 38 44 VAL 39 45 MET 40 46 LYS 41 47 ILE 42 48 PHE 43 49 ALA 44 50 GLY 45 51 ARG 46 52 SER 47 53 ALA 48 54 GLU 49 55 GLU 50 56 ILE 51 57 LYS 52 58 PRO 53 59 ALA 54 60 GLU 55 61 ARG 56 62 GLU 57 63 LEU 58 64 LEU 59 65 ASP 60 66 GLU 61 67 ILE 62 68 LYS 63 69 ARG 64 70 GLN 65 71 ARG 66 72 GLU 67 73 ARG 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 $LcrG enterobacteria 632 Bacteria . Yersinia pestis 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 $LcrG 'recombinant technology' . Escherichia coli . pET-21a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'This is free LcrG' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $LcrG 0.9 mM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' . mM 'natural abundance' 'sodium chloride' . mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details 'LcrG is labelled here and it is in complex with LcrV' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $LcrG 0.6 mM 'U-99% 13C; U-99% 15N]' 'sodium phosphate' . mM 'natural abundance' 'sodium chloride' . mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _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_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _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_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details 'This is free LcrG' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 10 . mM pH 7.0 . pH pressure 1 . atm temperature 273 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details 'LcrG is labeled and in complex with LcrV' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 10 . mM pH 7.0 . pH temperature 273 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details 'This is for the free LcrG file' 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 carbons' ppm 0.00 external indirect . . . 1.00 DSS H 1 'methyl protons' ppm 0.00 external indirect . . . 1.00 DSS N 15 nitrogen ppm 0.00 external indirect . . . 1.00 stop_ save_ save_chemical_shift_reference_2 _Saveframe_category chemical_shift_reference _Details 'This is for the file LcrG in complex with LcrV' 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 carbons' ppm 0.0 external indirect . . . 1.00 DSS H 1 'methyl protons' ppm 0.0 external indirect . . . 1.00 DSS N 15 nitrogen ppm 0.0 external indirect . . . 1.00 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 HNCA' '3D HNCACB' '3D CBCA(CO)NH' 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 'LcrG 7-73' _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 7 1 ASP H H 8.267 . . 2 7 1 ASP CA C 52.126 . . 3 7 1 ASP CB C 41.158 . . 4 7 1 ASP N N 120.966 . . 5 8 2 GLU H H 8.288 . . 6 8 2 GLU CA C 54.374 . . 7 8 2 GLU CB C 29.969 . . 8 8 2 GLU N N 120.324 . . 9 9 3 TYR H H 8.070 . . 10 9 3 TYR CA C 55.919 . . 11 9 3 TYR CB C 38.550 . . 12 9 3 TYR N N 120.610 . . 13 10 4 ASP H H 8.198 . . 14 10 4 ASP CA C 52.188 . . 15 10 4 ASP CB C 41.017 . . 16 10 4 ASP N N 121.091 . . 17 11 5 LYS H H 8.197 . . 18 11 5 LYS CA C 54.953 . . 19 11 5 LYS CB C 40.889 . . 20 11 5 LYS N N 121.894 . . 21 12 6 THR H H 8.157 . . 22 12 6 THR CA C 61.054 . . 23 12 6 THR CB C 69.275 . . 24 12 6 THR N N 114.385 . . 25 13 7 LEU H H 7.917 . . 26 13 7 LEU CA C 53.439 . . 27 13 7 LEU CB C 41.847 . . 28 13 7 LEU N N 123.512 . . 29 14 8 LYS H H 8.109 . . 30 14 8 LYS CA C 56.664 . . 31 14 8 LYS CB C 32.466 . . 32 14 8 LYS N N 121.089 . . 33 15 9 GLN H H 8.217 . . 34 15 9 GLN CA C 56.905 . . 35 15 9 GLN CB C 29.066 . . 36 15 9 GLN N N 120.491 . . 37 16 10 ALA H H 8.205 . . 38 16 10 ALA CA C 53.596 . . 39 16 10 ALA CB C 22.295 . . 40 16 10 ALA N N 124.125 . . 41 17 11 GLU H H 8.302 . . 42 17 11 GLU CA C 57.308 . . 43 17 11 GLU CB C 30.063 . . 44 17 11 GLU N N 117.820 . . 45 18 12 LEU H H 8.033 . . 46 18 12 LEU CA C 55.826 . . 47 18 12 LEU CB C 42.193 . . 48 18 12 LEU N N 121.792 . . 49 19 13 ALA H H 8.063 . . 50 19 13 ALA CA C 52.969 . . 51 19 13 ALA CB C 18.922 . . 52 19 13 ALA N N 122.709 . . 53 20 14 ILE H H 7.844 . . 54 20 14 ILE CA C 61.569 . . 55 20 14 ILE CB C 38.542 . . 56 20 14 ILE N N 118.834 . . 57 21 15 ALA H H 8.172 . . 58 21 15 ALA CA C 52.987 . . 59 21 15 ALA CB C 19.214 . . 60 21 15 ALA N N 126.756 . . 61 22 16 ASP H H 8.171 . . 62 22 16 ASP CA C 54.922 . . 63 22 16 ASP CB C 41.195 . . 64 22 16 ASP N N 119.118 . . 65 23 17 SER H H 8.262 . . 66 23 17 SER CA C 61.692 . . 67 23 17 SER CB C 61.668 . . 68 23 17 SER N N 115.865 . . 69 24 18 ASP H H 8.320 . . 70 24 18 ASP CA C 55.515 . . 71 24 18 ASP CB C 40.821 . . 72 24 18 ASP N N 122.313 . . 73 27 21 ALA H H 8.038 . . 74 27 21 ALA CA C 54.276 . . 75 27 21 ALA CB C 18.437 . . 76 27 21 ALA N N 121.794 . . 77 28 22 LYS H H 7.883 . . 78 28 22 LYS CA C 58.070 . . 79 28 22 LYS CB C 32.521 . . 80 28 22 LYS N N 119.389 . . 81 29 23 LEU H H 7.950 . . 82 29 23 LEU CA C 56.778 . . 83 29 23 LEU CB C 41.807 . . 84 29 23 LEU N N 120.992 . . 85 30 24 LEU H H 8.248 . . 86 30 24 LEU CA C 56.424 . . 87 30 24 LEU CB C 40.647 . . 88 30 24 LEU N N 120.090 . . 89 31 25 GLN H H 8.065 . . 90 31 25 GLN CA C 58.283 . . 91 31 25 GLN CB C 29.616 . . 92 31 25 GLN N N 121.025 . . 93 33 27 MET H H 8.222 . . 94 33 27 MET CA C 56.887 . . 95 33 27 MET CB C 33.194 . . 96 33 27 MET N N 119.221 . . 97 34 28 SER H H 8.065 . . 98 34 28 SER CA C 59.508 . . 99 34 28 SER CB C 63.376 . . 100 34 28 SER N N 115.185 . . 101 35 29 ALA H H 8.038 . . 102 35 29 ALA CA C 53.382 . . 103 35 29 ALA CB C 19.031 . . 104 35 29 ALA N N 124.872 . . 105 36 30 ASP H H 8.215 . . 106 36 30 ASP CA C 57.514 . . 107 36 30 ASP CB C 30.011 . . 108 36 30 ASP N N 119.221 . . 109 37 31 ILE CA C 61.617 . . 110 37 31 ILE CB C 38.621 . . 111 38 32 GLY H H 8.257 . . 112 38 32 GLY CA C 45.519 . . 113 38 32 GLY N N 110.709 . . 114 39 33 LEU H H 7.835 . . 115 39 33 LEU CA C 54.335 . . 116 39 33 LEU CB C 43.319 . . 117 39 33 LEU N N 121.002 . . 118 40 34 THR H H 7.874 . . 119 40 34 THR CA C 59.567 . . 120 40 34 THR CB C 69.090 . . 121 40 34 THR N N 114.336 . . 122 41 35 PRO CA C 65.294 . . 123 41 35 PRO CB C 32.089 . . 124 42 36 GLU H H 8.093 . . 125 42 36 GLU CA C 59.119 . . 126 42 36 GLU CB C 29.112 . . 127 42 36 GLU N N 119.130 . . 128 43 37 ALA H H 7.944 . . 129 43 37 ALA CA C 54.310 . . 130 43 37 ALA CB C 19.243 . . 131 43 37 ALA N N 123.441 . . 132 44 38 VAL H H 7.945 . . 133 44 38 VAL CA C 65.127 . . 134 44 38 VAL CB C 31.878 . . 135 44 38 VAL N N 118.204 . . 136 45 39 MET H H 8.602 . . 137 45 39 MET CA C 59.209 . . 138 45 39 MET CB C 29.170 . . 139 45 39 MET N N 117.582 . . 140 48 42 PHE CA C 58.858 . . 141 48 42 PHE CB C 39.167 . . 142 49 43 ALA H H 7.985 . . 143 49 43 ALA CA C 53.445 . . 144 49 43 ALA CB C 18.877 . . 145 49 43 ALA N N 123.612 . . 146 50 44 GLY H H 8.077 . . 147 50 44 GLY CA C 45.464 . . 148 50 44 GLY N N 107.113 . . 149 51 45 ARG H H 7.898 . . 150 51 45 ARG CA C 55.833 . . 151 51 45 ARG CB C 31.147 . . 152 51 45 ARG N N 120.097 . . 153 52 46 SER H H 8.476 . . 154 52 46 SER CA C 58.239 . . 155 52 46 SER CB C 64.022 . . 156 52 46 SER N N 117.338 . . 157 53 47 ALA H H 8.488 . . 158 53 47 ALA CA C 53.605 . . 159 53 47 ALA CB C 18.989 . . 160 53 47 ALA N N 125.398 . . 161 54 48 GLU H H 8.285 . . 162 54 48 GLU CA C 56.715 . . 163 54 48 GLU CB C 29.503 . . 164 54 48 GLU N N 118.614 . . 165 55 49 GLU H H 8.027 . . 166 55 49 GLU CA C 56.539 . . 167 55 49 GLU CB C 30.751 . . 168 55 49 GLU N N 119.902 . . 169 56 50 ILE H H 7.881 . . 170 56 50 ILE CA C 61.118 . . 171 56 50 ILE CB C 38.216 . . 172 56 50 ILE N N 122.056 . . 173 57 51 LYS H H 8.590 . . 174 57 51 LYS CA C 54.790 . . 175 57 51 LYS CB C 31.862 . . 176 57 51 LYS N N 127.292 . . 177 58 52 PRO CA C 64.670 . . 178 59 53 ALA H H 8.451 . . 179 59 53 ALA CA C 53.626 . . 180 59 53 ALA CB C 19.001 . . 181 59 53 ALA N N 121.460 . . 182 60 54 GLU H H 7.996 . . 183 60 54 GLU CA C 57.845 . . 184 60 54 GLU CB C 29.942 . . 185 60 54 GLU N N 118.943 . . 186 61 55 ARG H H 8.209 . . 187 61 55 ARG CA C 57.964 . . 188 61 55 ARG CB C 29.961 . . 189 61 55 ARG N N 119.469 . . 190 62 56 GLU H H 8.199 . . 191 62 56 GLU CA C 58.114 . . 192 62 56 GLU CB C 29.900 . . 193 62 56 GLU N N 120.213 . . 194 63 57 LEU H H 7.823 . . 195 63 57 LEU CA C 56.663 . . 196 63 57 LEU CB C 41.842 . . 197 63 57 LEU N N 121.688 . . 198 64 58 LEU H H 8.056 . . 199 64 58 LEU CA C 57.300 . . 200 64 58 LEU CB C 41.747 . . 201 64 58 LEU N N 120.308 . . 202 65 59 ASP H H 8.071 . . 203 65 59 ASP CA C 56.733 . . 204 65 59 ASP CB C 41.720 . . 205 65 59 ASP N N 119.993 . . 206 66 60 GLU H H 7.799 . . 207 66 60 GLU CA C 58.221 . . 208 66 60 GLU CB C 33.195 . . 209 66 60 GLU N N 119.814 . . 210 67 61 ILE H H 7.912 . . 211 67 61 ILE CA C 63.514 . . 212 67 61 ILE CB C 38.062 . . 213 67 61 ILE N N 120.430 . . 214 68 62 LYS H H 8.002 . . 215 68 62 LYS CA C 60.992 . . 216 68 62 LYS CB C 32.507 . . 217 68 62 LYS N N 121.210 . . 218 69 63 ARG H H 7.953 . . 219 69 63 ARG CA C 57.883 . . 220 69 63 ARG CB C 30.538 . . 221 69 63 ARG N N 119.313 . . 222 70 64 GLN H H 8.066 . . 223 70 64 GLN CA C 56.869 . . 224 70 64 GLN CB C 28.913 . . 225 70 64 GLN N N 119.094 . . 226 71 65 ARG H H 8.026 . . 227 71 65 ARG CA C 56.761 . . 228 71 65 ARG CB C 30.804 . . 229 71 65 ARG N N 119.731 . . 230 72 66 GLU H H 8.139 . . 231 72 66 GLU CA C 56.633 . . 232 72 66 GLU CB C 30.208 . . 233 72 66 GLU N N 121.104 . . 234 73 67 ARG H H 7.754 . . 235 73 67 ARG CA C 57.571 . . 236 73 67 ARG CB C 31.478 . . 237 73 67 ARG N N 126.158 . . stop_ save_ save_assigned_chem_shift_list_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' '3D HNCACB' stop_ loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $sample_conditions_2 _Chem_shift_reference_set_label $chemical_shift_reference_2 _Mol_system_component_name 'LcrG 7-73' _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 52 46 SER H H 8.339 . . 2 52 46 SER CA C 58.440 . . 3 52 46 SER CB C 61.919 . . 4 52 46 SER N N 116.896 . . 5 53 47 ALA H H 8.339 . . 6 53 47 ALA CA C 52.651 . . 7 53 47 ALA CB C 19.319 . . 8 53 47 ALA N N 125.746 . . 9 54 48 GLU H H 8.241 . . 10 54 48 GLU CA C 56.706 . . 11 54 48 GLU CB C 30.286 . . 12 54 48 GLU N N 125.746 . . 13 55 49 GLU H H 8.276 . . 14 55 49 GLU CA C 56.491 . . 15 55 49 GLU CB C 30.470 . . 16 55 49 GLU N N 122.051 . . 17 56 50 ILE H H 8.165 . . 18 56 50 ILE CA C 60.945 . . 19 56 50 ILE CB C 38.335 . . 20 56 50 ILE N N 123.168 . . 21 57 51 LYS H H 8.515 . . 22 57 51 LYS CA C 54.248 . . 23 57 51 LYS CB C 32.191 . . 24 57 51 LYS N N 127.636 . . 25 58 52 PRO CA C 63.710 . . 26 58 52 PRO CB C 32.068 . . 27 59 53 ALA H H 8.453 . . 28 59 53 ALA CA C 53.110 . . 29 59 53 ALA CB C 19.151 . . 30 59 53 ALA N N 123.082 . . 31 60 54 GLU H H 8.209 . . 32 60 54 GLU CA C 57.235 . . 33 60 54 GLU CB C 30.076 . . 34 60 54 GLU N N 119.301 . . 35 62 56 GLU H H 8.325 . . 36 62 56 GLU CA C 57.609 . . 37 62 56 GLU CB C 30.004 . . 38 62 56 GLU N N 120.489 . . 39 63 57 LEU H H 7.992 . . 40 63 57 LEU CA C 56.056 . . 41 63 57 LEU CB C 41.849 . . 42 63 57 LEU N N 122.309 . . 43 64 58 LEU H H 8.074 . . 44 64 58 LEU CA C 56.381 . . 45 64 58 LEU CB C 41.969 . . 46 64 58 LEU N N 121.106 . . 47 65 59 ASP H H 8.238 . . 48 65 59 ASP CA C 55.669 . . 49 65 59 ASP CB C 40.864 . . 50 65 59 ASP N N 120.418 . . 51 66 60 GLU H H 8.158 . . 52 66 60 GLU CA C 58.081 . . 53 66 60 GLU CB C 29.878 . . 54 66 60 GLU N N 120.934 . . 55 67 61 ILE H H 7.979 . . 56 67 61 ILE CA C 63.132 . . 57 67 61 ILE CB C 37.938 . . 58 67 61 ILE N N 120.590 . . 59 68 62 LYS H H 8.020 . . 60 68 62 LYS CA C 57.921 . . 61 68 62 LYS CB C 32.557 . . 62 68 62 LYS N N 122.051 . . 63 69 63 ARG H H 8.085 . . 64 69 63 ARG CA C 57.289 . . 65 69 63 ARG CB C 30.459 . . 66 69 63 ARG N N 120.367 . . 67 70 64 GLN H H 8.112 . . 68 70 64 GLN CA C 56.631 . . 69 70 64 GLN CB C 29.039 . . 70 70 64 GLN N N 119.645 . . 71 71 65 ARG H H 8.098 . . 72 71 65 ARG CA C 56.624 . . 73 71 65 ARG CB C 30.864 . . 74 71 65 ARG N N 120.504 . . 75 72 66 GLU H H 8.242 . . 76 72 66 GLU CA C 56.730 . . 77 72 66 GLU CB C 30.201 . . 78 72 66 GLU N N 121.535 . . 79 73 67 ARG H H 7.798 . . 80 73 67 ARG CA C 57.629 . . 81 73 67 ARG CB C 31.425 . . 82 73 67 ARG N N 126.089 . . stop_ save_