data_27451 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 15N, 13C chemical shifts for Repressor of Primer (Rop) variant IVVA ; _BMRB_accession_number 27451 _BMRB_flat_file_name bmr27451.str _Entry_type original _Submission_date 2018-04-15 _Accession_date 2018-04-15 _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 Bowles David P. . 2 Yuan Chunhua . . 3 Lavinder Jason . . 4 Magliery Thomas J. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 62 "13C chemical shifts" 183 "15N chemical shifts" 62 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-09-18 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 27449 'AV Rop' 27450 'WT Rop' stop_ _Original_release_date 2018-04-16 save_ ############################# # Citation for this entry # ############################# save_Citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Resonance assignments of wild-type and two cysteine-free variants of the four-helix bundle protein, Rop ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30159810 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bowles David P. . 2 Yuan Chunhua . . 3 Stephany Kimberly . . 4 Lavinder Jason J. . 5 Hansen Alexandar L. . 6 Magliery Thomas J. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 12 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 345 _Page_last 350 _Year 2018 _Details . loop_ _Keyword 'Four-heix bunde' NMR Rop 'backbone assignment' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'IVVA Rop' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'IVVA Rop monomer' $IVVA_Rop 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_IVVA_Rop _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common IVVA_Rop _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 63 _Mol_residue_sequence ; MTKQEKTALNMARFIRSQVL TLLEKLNELDADEQADIAES VHDHADELYRSVLARFGDDG ENL ; loop_ _Residue_seq_code _Residue_label 1 MET 2 THR 3 LYS 4 GLN 5 GLU 6 LYS 7 THR 8 ALA 9 LEU 10 ASN 11 MET 12 ALA 13 ARG 14 PHE 15 ILE 16 ARG 17 SER 18 GLN 19 VAL 20 LEU 21 THR 22 LEU 23 LEU 24 GLU 25 LYS 26 LEU 27 ASN 28 GLU 29 LEU 30 ASP 31 ALA 32 ASP 33 GLU 34 GLN 35 ALA 36 ASP 37 ILE 38 ALA 39 GLU 40 SER 41 VAL 42 HIS 43 ASP 44 HIS 45 ALA 46 ASP 47 GLU 48 LEU 49 TYR 50 ARG 51 SER 52 VAL 53 LEU 54 ALA 55 ARG 56 PHE 57 GLY 58 ASP 59 ASP 60 GLY 61 GLU 62 ASN 63 LEU 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 $IVVA_Rop '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 $IVVA_Rop 'recombinant technology' . Escherichia coli . pmR-IVVARop 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $IVVA_Rop 1.35 mM 1.2 1.5 '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 50 mM . . 'natural abundance' 'sodium chloride' 300 mM . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'chemical shift assignment' processing refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCO_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _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_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _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' 1.2 . M pH 6.3 . pH pressure 1 . atm temperature 298 . 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 DSS P 31 'methyl protons' ppm 0.00 na indirect . . . 0.404808636 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 '3D HNCO' '3D HNCA' '3D HN(CO)CA' '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 'IVVA Rop monomer' _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 2 2 THR H H 8.653 0.02 1 2 2 2 THR C C 175.365 0.20 1 3 2 2 THR CA C 61.882 0.02 1 4 2 2 THR CB C 70.716 0.02 1 5 2 2 THR N N 113.913 0.20 1 6 3 3 LYS H H 8.798 0.02 1 7 3 3 LYS C C 178.714 0.20 1 8 3 3 LYS CA C 59.174 0.02 1 9 3 3 LYS CB C 32.167 0.02 1 10 3 3 LYS N N 122.186 0.20 1 11 4 4 GLN H H 8.403 0.02 1 12 4 4 GLN C C 178.530 0.20 1 13 4 4 GLN CA C 59.082 0.02 1 14 4 4 GLN CB C 28.599 0.02 1 15 4 4 GLN N N 119.349 0.20 1 16 5 5 GLU H H 7.881 0.02 1 17 5 5 GLU C C 177.767 0.20 1 18 5 5 GLU CA C 58.946 0.02 1 19 5 5 GLU CB C 29.140 0.02 1 20 5 5 GLU N N 121.516 0.20 1 21 6 6 LYS H H 8.100 0.02 1 22 6 6 LYS C C 178.854 0.20 1 23 6 6 LYS CA C 58.692 0.02 1 24 6 6 LYS CB C 31.914 0.02 1 25 6 6 LYS N N 118.976 0.20 1 26 7 7 THR H H 8.144 0.02 1 27 7 7 THR C C 176.115 0.20 1 28 7 7 THR CA C 65.947 0.02 1 29 7 7 THR CB C 68.882 0.02 1 30 7 7 THR N N 116.032 0.20 1 31 8 8 ALA H H 7.783 0.02 1 32 8 8 ALA C C 178.531 0.20 1 33 8 8 ALA CA C 55.464 0.02 1 34 8 8 ALA CB C 17.139 0.02 1 35 8 8 ALA N N 123.765 0.20 1 36 9 9 LEU H H 7.963 0.02 1 37 9 9 LEU C C 178.328 0.20 1 38 9 9 LEU CA C 58.555 0.02 1 39 9 9 LEU CB C 42.093 0.02 1 40 9 9 LEU N N 118.559 0.20 1 41 10 10 ASN H H 8.554 0.02 1 42 10 10 ASN C C 178.815 0.20 1 43 10 10 ASN CA C 56.148 0.02 1 44 10 10 ASN CB C 37.917 0.02 1 45 10 10 ASN N N 117.715 0.20 1 46 11 11 MET H H 8.626 0.02 1 47 11 11 MET C C 178.099 0.20 1 48 11 11 MET CA C 59.768 0.02 1 49 11 11 MET CB C 33.815 0.02 1 50 11 11 MET N N 120.426 0.20 1 51 12 12 ALA H H 8.476 0.02 1 52 12 12 ALA C C 179.945 0.20 1 53 12 12 ALA CA C 55.601 0.02 1 54 12 12 ALA CB C 17.884 0.02 1 55 12 12 ALA N N 121.646 0.20 1 56 13 13 ARG H H 8.490 0.02 1 57 13 13 ARG C C 178.363 0.20 1 58 13 13 ARG CA C 59.961 0.02 1 59 13 13 ARG CB C 30.628 0.02 1 60 13 13 ARG N N 120.374 0.20 1 61 14 14 PHE H H 8.484 0.02 1 62 14 14 PHE C C 178.208 0.20 1 63 14 14 PHE CA C 60.572 0.02 1 64 14 14 PHE CB C 39.379 0.02 1 65 14 14 PHE N N 121.752 0.20 1 66 15 15 ILE H H 8.780 0.02 1 67 15 15 ILE C C 176.902 0.20 1 68 15 15 ILE CA C 66.184 0.02 1 69 15 15 ILE CB C 38.294 0.02 1 70 15 15 ILE N N 119.991 0.20 1 71 16 16 ARG H H 7.377 0.02 1 72 16 16 ARG C C 177.279 0.20 1 73 16 16 ARG CA C 60.719 0.02 1 74 16 16 ARG CB C 30.321 0.02 1 75 16 16 ARG N N 117.660 0.20 1 76 17 17 SER H H 7.816 0.02 1 77 17 17 SER C C 177.145 0.20 1 78 17 17 SER CA C 61.529 0.02 1 79 17 17 SER CB C 63.041 0.02 1 80 17 17 SER N N 113.561 0.20 1 81 18 18 GLN H H 8.513 0.02 1 82 18 18 GLN C C 178.682 0.20 1 83 18 18 GLN CA C 58.546 0.02 1 84 18 18 GLN CB C 28.898 0.02 1 85 18 18 GLN N N 122.427 0.20 1 86 19 19 VAL H H 8.371 0.02 1 87 19 19 VAL C C 177.042 0.20 1 88 19 19 VAL CA C 66.526 0.02 1 89 19 19 VAL CB C 31.205 0.02 1 90 19 19 VAL N N 118.810 0.20 1 91 20 20 LEU H H 7.514 0.02 1 92 20 20 LEU C C 178.983 0.20 1 93 20 20 LEU CA C 58.274 0.02 1 94 20 20 LEU CB C 41.014 0.02 1 95 20 20 LEU N N 120.605 0.20 1 96 21 21 THR H H 7.929 0.02 1 97 21 21 THR C C 176.234 0.20 1 98 21 21 THR CA C 66.668 0.02 1 99 21 21 THR CB C 68.382 0.02 1 100 21 21 THR N N 117.131 0.20 1 101 22 22 LEU H H 8.202 0.02 1 102 22 22 LEU C C 177.550 0.20 1 103 22 22 LEU CA C 58.009 0.02 1 104 22 22 LEU CB C 40.742 0.02 1 105 22 22 LEU N N 123.280 0.20 1 106 23 23 LEU H H 8.712 0.02 1 107 23 23 LEU C C 177.895 0.20 1 108 23 23 LEU CA C 59.343 0.02 1 109 23 23 LEU CB C 42.107 0.02 1 110 23 23 LEU N N 121.837 0.20 1 111 24 24 GLU H H 7.827 0.02 1 112 24 24 GLU C C 179.797 0.20 1 113 24 24 GLU CA C 59.568 0.02 1 114 24 24 GLU CB C 29.107 0.02 1 115 24 24 GLU N N 118.128 0.20 1 116 25 25 LYS H H 8.011 0.02 1 117 25 25 LYS C C 179.654 0.20 1 118 25 25 LYS CA C 58.488 0.02 1 119 25 25 LYS CB C 31.287 0.02 1 120 25 25 LYS N N 119.782 0.20 1 121 26 26 LEU H H 8.921 0.02 1 122 26 26 LEU C C 179.134 0.20 1 123 26 26 LEU CA C 57.925 0.02 1 124 26 26 LEU CB C 41.039 0.02 1 125 26 26 LEU N N 119.368 0.20 1 126 27 27 ASN H H 8.359 0.02 1 127 27 27 ASN C C 179.242 0.20 1 128 27 27 ASN CA C 56.118 0.02 1 129 27 27 ASN CB C 38.216 0.02 1 130 27 27 ASN N N 118.681 0.20 1 131 28 28 GLU H H 7.973 0.02 1 132 28 28 GLU C C 177.827 0.20 1 133 28 28 GLU CA C 58.864 0.02 1 134 28 28 GLU CB C 29.667 0.02 1 135 28 28 GLU N N 121.797 0.20 1 136 29 29 LEU H H 7.345 0.02 1 137 29 29 LEU C C 175.627 0.20 1 138 29 29 LEU CA C 54.631 0.02 1 139 29 29 LEU CB C 43.249 0.02 1 140 29 29 LEU N N 118.234 0.20 1 141 30 30 ASP H H 8.100 0.02 1 142 30 30 ASP C C 175.150 0.20 1 143 30 30 ASP CA C 55.223 0.02 1 144 30 30 ASP CB C 38.980 0.02 1 145 30 30 ASP N N 118.176 0.20 1 146 31 31 ALA H H 7.988 0.02 1 147 31 31 ALA C C 176.714 0.20 1 148 31 31 ALA CA C 50.129 0.02 1 149 31 31 ALA CB C 17.138 0.02 1 150 31 31 ALA N N 123.213 0.20 1 151 32 32 ASP H H 7.953 0.02 1 152 32 32 ASP C C 178.027 0.20 1 153 32 32 ASP CA C 58.408 0.02 1 154 32 32 ASP CB C 40.487 0.02 1 155 32 32 ASP N N 121.612 0.20 1 156 33 33 GLU H H 8.903 0.02 1 157 33 33 GLU C C 178.699 0.20 1 158 33 33 GLU CA C 59.608 0.02 1 159 33 33 GLU CB C 28.926 0.02 1 160 33 33 GLU N N 119.567 0.20 1 161 34 34 GLN H H 7.293 0.02 1 162 34 34 GLN C C 177.316 0.20 1 163 34 34 GLN CA C 60.542 0.02 1 164 34 34 GLN CB C 27.521 0.02 1 165 34 34 GLN N N 117.724 0.20 1 166 35 35 ALA H H 8.879 0.02 1 167 35 35 ALA C C 178.932 0.20 1 168 35 35 ALA CA C 55.511 0.02 1 169 35 35 ALA CB C 17.689 0.02 1 170 35 35 ALA N N 123.928 0.20 1 171 36 36 ASP H H 8.025 0.02 1 172 36 36 ASP C C 179.707 0.20 1 173 36 36 ASP CA C 57.624 0.02 1 174 36 36 ASP CB C 40.355 0.02 1 175 36 36 ASP N N 118.146 0.20 1 176 37 37 ILE H H 7.320 0.02 1 177 37 37 ILE C C 178.744 0.20 1 178 37 37 ILE CA C 64.890 0.02 1 179 37 37 ILE CB C 38.106 0.02 1 180 37 37 ILE N N 120.063 0.20 1 181 38 38 ALA H H 8.762 0.02 1 182 38 38 ALA C C 178.724 0.20 1 183 38 38 ALA CA C 55.722 0.02 1 184 38 38 ALA CB C 17.754 0.02 1 185 38 38 ALA N N 123.125 0.20 1 186 39 39 GLU H H 8.708 0.02 1 187 39 39 GLU C C 178.466 0.20 1 188 39 39 GLU CA C 60.022 0.02 1 189 39 39 GLU CB C 28.965 0.02 1 190 39 39 GLU N N 120.179 0.20 1 191 40 40 SER H H 7.389 0.02 1 192 40 40 SER C C 178.375 0.20 1 193 40 40 SER CA C 61.474 0.02 1 194 40 40 SER CB C 63.100 0.02 1 195 40 40 SER N N 115.253 0.20 1 196 41 41 VAL H H 8.704 0.02 1 197 41 41 VAL C C 177.417 0.20 1 198 41 41 VAL CA C 67.310 0.02 1 199 41 41 VAL CB C 29.820 0.02 1 200 41 41 VAL N N 122.009 0.20 1 201 42 42 HIS H H 9.030 0.02 1 202 42 42 HIS C C 175.985 0.20 1 203 42 42 HIS CA C 61.116 0.02 1 204 42 42 HIS CB C 27.842 0.02 1 205 42 42 HIS N N 121.012 0.20 1 206 43 43 ASP H H 8.292 0.02 1 207 43 43 ASP C C 179.003 0.20 1 208 43 43 ASP CA C 57.641 0.02 1 209 43 43 ASP CB C 40.092 0.02 1 210 43 43 ASP N N 120.593 0.20 1 211 44 44 HIS H H 8.088 0.02 1 212 44 44 HIS C C 176.958 0.20 1 213 44 44 HIS CA C 58.000 0.02 1 214 44 44 HIS CB C 30.120 0.02 1 215 44 44 HIS N N 119.983 0.20 1 216 45 45 ALA H H 9.451 0.02 1 217 45 45 ALA C C 180.349 0.20 1 218 45 45 ALA CA C 54.870 0.02 1 219 45 45 ALA CB C 16.972 0.02 1 220 45 45 ALA N N 122.840 0.20 1 221 46 46 ASP H H 8.688 0.02 1 222 46 46 ASP C C 177.350 0.20 1 223 46 46 ASP CA C 58.194 0.02 1 224 46 46 ASP CB C 41.728 0.02 1 225 46 46 ASP N N 122.377 0.20 1 226 47 47 GLU H H 7.773 0.02 1 227 47 47 GLU C C 179.671 0.20 1 228 47 47 GLU CA C 59.818 0.02 1 229 47 47 GLU CB C 29.064 0.02 1 230 47 47 GLU N N 120.877 0.20 1 231 48 48 LEU H H 8.230 0.02 1 232 48 48 LEU C C 177.217 0.20 1 233 48 48 LEU CA C 58.244 0.02 1 234 48 48 LEU CB C 41.025 0.02 1 235 48 48 LEU N N 119.856 0.20 1 236 49 49 TYR H H 8.459 0.02 1 237 49 49 TYR C C 175.862 0.20 1 238 49 49 TYR CA C 61.673 0.02 1 239 49 49 TYR CB C 38.000 0.02 1 240 49 49 TYR N N 119.327 0.20 1 241 50 50 ARG H H 8.606 0.02 1 242 50 50 ARG C C 179.015 0.20 1 243 50 50 ARG CA C 60.214 0.02 1 244 50 50 ARG CB C 29.957 0.02 1 245 50 50 ARG N N 117.055 0.20 1 246 51 51 SER H H 7.947 0.02 1 247 51 51 SER C C 178.328 0.20 1 248 51 51 SER CA C 61.283 0.02 1 249 51 51 SER CB C 64.070 0.02 1 250 51 51 SER N N 114.664 0.20 1 251 52 52 VAL H H 8.477 0.02 1 252 52 52 VAL C C 177.168 0.20 1 253 52 52 VAL CA C 66.789 0.02 1 254 52 52 VAL CB C 31.563 0.02 1 255 52 52 VAL N N 120.001 0.20 1 256 53 53 LEU H H 8.716 0.02 1 257 53 53 LEU C C 179.353 0.20 1 258 53 53 LEU CA C 58.187 0.02 1 259 53 53 LEU CB C 41.800 0.02 1 260 53 53 LEU N N 122.523 0.20 1 261 54 54 ALA H H 7.752 0.02 1 262 54 54 ALA C C 178.857 0.20 1 263 54 54 ALA CA C 54.530 0.02 1 264 54 54 ALA CB C 17.910 0.02 1 265 54 54 ALA N N 120.363 0.20 1 266 55 55 ARG H H 7.265 0.02 1 267 55 55 ARG C C 177.640 0.20 1 268 55 55 ARG CA C 57.609 0.02 1 269 55 55 ARG CB C 30.724 0.02 1 270 55 55 ARG N N 116.544 0.20 1 271 56 56 PHE H H 8.316 0.02 1 272 56 56 PHE C C 176.787 0.20 1 273 56 56 PHE CA C 56.822 0.02 1 274 56 56 PHE CB C 40.368 0.02 1 275 56 56 PHE N N 114.345 0.20 1 276 57 57 GLY H H 8.243 0.02 1 277 57 57 GLY C C 172.435 0.20 1 278 57 57 GLY CA C 45.357 0.02 1 279 57 57 GLY N N 109.418 0.20 1 280 58 58 ASP H H 8.239 0.02 1 281 58 58 ASP C C 176.297 0.20 1 282 58 58 ASP CA C 53.778 0.02 1 283 58 58 ASP CB C 41.929 0.02 1 284 58 58 ASP N N 118.819 0.20 1 285 59 59 ASP H H 8.464 0.02 1 286 59 59 ASP C C 177.036 0.20 1 287 59 59 ASP CA C 54.576 0.02 1 288 59 59 ASP CB C 41.128 0.02 1 289 59 59 ASP N N 121.529 0.20 1 290 60 60 GLY H H 8.454 0.02 1 291 60 60 GLY C C 174.406 0.20 1 292 60 60 GLY CA C 45.665 0.02 1 293 60 60 GLY N N 109.236 0.20 1 294 61 61 GLU H H 8.178 0.02 1 295 61 61 GLU C C 176.134 0.20 1 296 61 61 GLU CA C 56.689 0.02 1 297 61 61 GLU CB C 30.277 0.02 1 298 61 61 GLU N N 120.170 0.20 1 299 62 62 ASN H H 8.482 0.02 1 300 62 62 ASN C C 173.932 0.20 1 301 62 62 ASN CA C 53.315 0.02 1 302 62 62 ASN CB C 39.060 0.02 1 303 62 62 ASN N N 119.832 0.20 1 304 63 63 LEU H H 7.784 0.02 1 305 63 63 LEU CA C 56.879 0.02 1 306 63 63 LEU CB C 43.365 0.02 1 307 63 63 LEU N N 111.377 0.20 1 stop_ save_