data_27450 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 15N, 13C assignments for Wild-Type Repressor of Primer (Rop) ; _BMRB_accession_number 27450 _BMRB_flat_file_name bmr27450.str _Entry_type original _Submission_date 2018-04-13 _Accession_date 2018-04-13 _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 Stephany Kimberly . . 4 Hansen Alexandar L. . 5 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" 61 "13C chemical shifts" 184 "15N chemical shifts" 61 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' 27451 'IVVA 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 . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'WT Rop' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'WT Rop monomer' $WT_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_WT_Rop _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common WT_Rop _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 63 _Mol_residue_sequence ; MTKQEKTALNMARFIRSQTL TLLEKLNELDADEQADICES LHDHADELYRSCLARFGDDG 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 THR 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 CYS 39 GLU 40 SER 41 LEU 42 HIS 43 ASP 44 HIS 45 ALA 46 ASP 47 GLU 48 LEU 49 TYR 50 ARG 51 SER 52 CYS 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 $WT_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 $WT_Rop 'recombinant technology' . Escherichia coli . pmR-WTRop 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 $WT_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_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_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' 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_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_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _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 CBCA(CO)NH' '3D HN(CO)CA' '3D HN(CA)CO' 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 'WT 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 C C 175.4698 0.0000 1 2 2 2 THR CA C 61.8669 0.0000 1 3 2 2 THR CB C 70.8417 0.0000 1 4 3 3 LYS H H 8.9145 0.0000 1 5 3 3 LYS C C 179.0448 0.0000 1 6 3 3 LYS CA C 59.7416 0.0000 1 7 3 3 LYS CB C 32.1379 0.0000 1 8 3 3 LYS N N 121.8752 0.0000 1 9 4 4 GLN H H 8.4467 0.0000 1 10 4 4 GLN C C 179.2151 0.0000 1 11 4 4 GLN CA C 59.5220 0.0000 1 12 4 4 GLN CB C 28.5200 0.0000 1 13 4 4 GLN N N 118.7596 0.0000 1 14 5 5 GLU H H 7.8035 0.0000 1 15 5 5 GLU C C 177.7204 0.0000 1 16 5 5 GLU CA C 59.2999 0.0000 1 17 5 5 GLU CB C 29.1631 0.0000 1 18 5 5 GLU N N 121.4421 0.0000 1 19 6 6 LYS H H 8.1781 0.0000 1 20 6 6 LYS C C 179.1395 0.0000 1 21 6 6 LYS CA C 59.1395 0.0000 1 22 6 6 LYS CB C 31.8619 0.0000 1 23 6 6 LYS N N 118.4325 0.0000 1 24 7 7 THR H H 8.1687 0.0000 1 25 7 7 THR C C 176.4486 0.0000 1 26 7 7 THR CA C 66.6092 0.0000 1 27 7 7 THR CB C 68.6924 0.0000 1 28 7 7 THR N N 116.3244 0.0000 1 29 8 8 ALA H H 7.5523 0.0000 1 30 8 8 ALA C C 178.4808 0.0000 1 31 8 8 ALA CA C 55.4711 0.0000 1 32 8 8 ALA CB C 17.3838 0.0000 1 33 8 8 ALA N N 124.1808 0.0000 1 34 9 9 LEU H H 8.1643 0.0000 1 35 9 9 LEU C C 178.4712 0.0000 1 36 9 9 LEU CA C 58.5267 0.0000 1 37 9 9 LEU CB C 42.5813 0.0000 1 38 9 9 LEU N N 118.4859 0.0000 1 39 10 10 ASN H H 8.6681 0.0000 1 40 10 10 ASN C C 178.6724 0.0000 1 41 10 10 ASN CA C 55.9409 0.0000 1 42 10 10 ASN CB C 37.8951 0.0000 1 43 10 10 ASN N N 117.0460 0.0000 1 44 11 11 MET H H 8.4135 0.0000 1 45 11 11 MET C C 178.2212 0.0000 1 46 11 11 MET CA C 59.8052 0.0000 1 47 11 11 MET CB C 33.3667 0.0000 1 48 11 11 MET N N 121.6008 0.0000 1 49 12 12 ALA H H 8.5994 0.0000 1 50 12 12 ALA C C 180.4640 0.0000 1 51 12 12 ALA CA C 55.6998 0.0000 1 52 12 12 ALA CB C 17.9499 0.0000 1 53 12 12 ALA N N 122.6243 0.0000 1 54 13 13 ARG H H 8.6111 0.0000 1 55 13 13 ARG C C 178.2883 0.0000 1 56 13 13 ARG CA C 60.0524 0.0000 1 57 13 13 ARG CB C 30.5303 0.0000 1 58 13 13 ARG N N 121.0828 0.0000 1 59 14 14 PHE H H 8.5494 0.0000 1 60 14 14 PHE C C 178.2175 0.0000 1 61 14 14 PHE CA C 60.5702 0.0000 1 62 14 14 PHE CB C 39.0193 0.0000 1 63 14 14 PHE N N 121.8967 0.0000 1 64 15 15 ILE H H 8.7611 0.0000 1 65 15 15 ILE C C 178.0133 0.0000 1 66 15 15 ILE CA C 66.2594 0.0000 1 67 15 15 ILE CB C 38.2388 0.0000 1 68 15 15 ILE N N 120.4185 0.0000 1 69 16 16 ARG H H 7.7618 0.0000 1 70 16 16 ARG C C 178.3603 0.0000 1 71 16 16 ARG CA C 60.6904 0.0000 1 72 16 16 ARG CB C 30.0062 0.0000 1 73 16 16 ARG N N 119.7236 0.0000 1 74 17 17 SER H H 8.3232 0.0000 1 75 17 17 SER C C 177.2354 0.0000 1 76 17 17 SER CA C 61.9594 0.0000 1 77 17 17 SER CB C 62.8537 0.0000 1 78 17 17 SER N N 116.5826 0.0000 1 79 18 18 GLN H H 8.7586 0.0000 1 80 18 18 GLN C C 178.9144 0.0000 1 81 18 18 GLN CA C 58.6593 0.0000 1 82 18 18 GLN CB C 29.1814 0.0000 1 83 18 18 GLN N N 122.0457 0.0000 1 84 19 19 THR H H 8.2810 0.0000 1 85 19 19 THR C C 175.8557 0.0000 1 86 19 19 THR CA C 66.3436 0.0000 1 87 19 19 THR CB C 69.1835 0.0000 1 88 19 19 THR N N 109.4858 0.0000 1 89 20 20 LEU H H 7.1663 0.0000 1 90 20 20 LEU C C 178.7568 0.0000 1 91 20 20 LEU CA C 57.4904 0.0000 1 92 20 20 LEU CB C 41.4425 0.0000 1 93 20 20 LEU N N 122.9653 0.0000 1 94 21 21 THR H H 7.8824 0.0000 1 95 21 21 THR C C 176.6254 0.0000 1 96 21 21 THR CA C 66.4749 0.0000 1 97 21 21 THR CB C 68.5701 0.0000 1 98 21 21 THR N N 118.0381 0.0000 1 99 22 22 LEU H H 8.3362 0.0000 1 100 22 22 LEU C C 177.1294 0.0000 1 101 22 22 LEU CA C 57.5898 0.0000 1 102 22 22 LEU CB C 40.4344 0.0000 1 103 22 22 LEU N N 122.1625 0.0000 1 104 23 23 LEU H H 7.9881 0.0000 1 105 23 23 LEU C C 178.1077 0.0000 1 106 23 23 LEU CA C 58.8524 0.0000 1 107 23 23 LEU CB C 42.4790 0.0000 1 108 23 23 LEU N N 123.1667 0.0000 1 109 24 24 GLU H H 7.6698 0.0000 1 110 24 24 GLU C C 179.8680 0.0000 1 111 24 24 GLU CA C 59.6188 0.0000 1 112 24 24 GLU CB C 29.2790 0.0000 1 113 24 24 GLU N N 117.5684 0.0000 1 114 25 25 LYS H H 7.8798 0.0000 1 115 25 25 LYS C C 179.9675 0.0000 1 116 25 25 LYS CA C 58.6993 0.0000 1 117 25 25 LYS CB C 31.6608 0.0000 1 118 25 25 LYS N N 119.2246 0.0000 1 119 26 26 LEU H H 8.9800 0.0000 1 120 26 26 LEU C C 179.2775 0.0000 1 121 26 26 LEU CA C 57.9755 0.0000 1 122 26 26 LEU CB C 41.3497 0.0000 1 123 26 26 LEU N N 119.8182 0.0000 1 124 27 27 ASN H H 8.5003 0.0000 1 125 27 27 ASN C C 179.3345 0.0000 1 126 27 27 ASN CA C 55.9982 0.0000 1 127 27 27 ASN CB C 38.2615 0.0000 1 128 27 27 ASN N N 118.6422 0.0000 1 129 28 28 GLU H H 8.0011 0.0000 1 130 28 28 GLU C C 177.8656 0.0000 1 131 28 28 GLU CA C 58.7069 0.0000 1 132 28 28 GLU CB C 29.7028 0.0000 1 133 28 28 GLU N N 121.6505 0.0000 1 134 29 29 LEU H H 7.2872 0.0000 1 135 29 29 LEU C C 175.7662 0.0000 1 136 29 29 LEU CA C 54.6416 0.0000 1 137 29 29 LEU CB C 43.4131 0.0000 1 138 29 29 LEU N N 118.2269 0.0000 1 139 30 30 ASP H H 8.1524 0.0000 1 140 30 30 ASP C C 175.1735 0.0000 1 141 30 30 ASP CA C 55.1083 0.0000 1 142 30 30 ASP CB C 39.1438 0.0000 1 143 30 30 ASP N N 118.3824 0.0000 1 144 31 31 ALA H H 7.8973 0.0000 1 145 31 31 ALA C C 176.6442 0.0000 1 146 31 31 ALA CA C 50.2753 0.0000 1 147 31 31 ALA CB C 17.0933 0.0000 1 148 31 31 ALA N N 123.0350 0.0000 1 149 32 32 ASP H H 7.9580 0.0000 1 150 32 32 ASP C C 178.0196 0.0000 1 151 32 32 ASP CA C 58.4990 0.0000 1 152 32 32 ASP CB C 40.5995 0.0000 1 153 32 32 ASP N N 121.4925 0.0000 1 154 33 33 GLU H H 8.9307 0.0000 1 155 33 33 GLU C C 178.7968 0.0000 1 156 33 33 GLU CA C 59.6898 0.0000 1 157 33 33 GLU CB C 29.0762 0.0000 1 158 33 33 GLU N N 119.6365 0.0000 1 159 34 34 GLN H H 7.3697 0.0000 1 160 34 34 GLN C C 177.5549 0.0000 1 161 34 34 GLN CA C 60.9175 0.0000 1 162 34 34 GLN CB C 27.3576 0.0000 1 163 34 34 GLN N N 117.9983 0.0000 1 164 35 35 ALA H H 9.0837 0.0000 1 165 35 35 ALA C C 178.8627 0.0000 1 166 35 35 ALA CA C 55.7612 0.0000 1 167 35 35 ALA CB C 17.6189 0.0000 1 168 35 35 ALA N N 123.8951 0.0000 1 169 36 36 ASP H H 8.0899 0.0000 1 170 36 36 ASP C C 179.8565 0.0000 1 171 36 36 ASP CA C 57.8853 0.0000 1 172 36 36 ASP CB C 40.5789 0.0000 1 173 36 36 ASP N N 118.2774 0.0000 1 174 37 37 ILE H H 7.3782 0.0000 1 175 37 37 ILE C C 177.9631 0.0000 1 176 37 37 ILE CA C 64.8363 0.0000 1 177 37 37 ILE CB C 38.0667 0.0000 1 178 37 37 ILE N N 119.8969 0.0000 1 179 38 38 CYS H H 8.8495 0.0000 1 180 38 38 CYS C C 176.0332 0.0000 1 181 38 38 CYS CA C 62.4951 0.0000 1 182 38 38 CYS CB C 27.1883 0.0000 1 183 38 38 CYS N N 121.6255 0.0000 1 184 39 39 GLU H H 9.1799 0.0000 1 185 39 39 GLU C C 178.7409 0.0000 1 186 39 39 GLU CA C 60.4758 0.0000 1 187 39 39 GLU CB C 29.1907 0.0000 1 188 39 39 GLU N N 123.0870 0.0000 1 189 40 40 SER H H 7.4188 0.0000 1 190 40 40 SER C C 178.0337 0.0000 1 191 40 40 SER CA C 61.1379 0.0000 1 192 40 40 SER CB C 62.8839 0.0000 1 193 40 40 SER N N 114.3281 0.0000 1 194 41 41 LEU H H 8.9404 0.0000 1 195 41 41 LEU C C 178.0641 0.0000 1 196 41 41 LEU CA C 58.2449 0.0000 1 197 41 41 LEU CB C 42.2965 0.0000 1 198 41 41 LEU N N 125.0686 0.0000 1 199 42 42 HIS H H 8.9222 0.0000 1 200 42 42 HIS C C 176.7686 0.0000 1 201 42 42 HIS CA C 59.8997 0.0000 1 202 42 42 HIS CB C 27.5788 0.0000 1 203 42 42 HIS N N 119.5139 0.0000 1 204 43 43 ASP H H 7.9057 0.0000 1 205 43 43 ASP C C 178.6421 0.0000 1 206 43 43 ASP CA C 57.7893 0.0000 1 207 43 43 ASP CB C 40.0533 0.0000 1 208 43 43 ASP N N 121.0618 0.0000 1 209 44 44 HIS H H 8.4454 0.0000 1 210 44 44 HIS C C 177.4473 0.0000 1 211 44 44 HIS CA C 56.8444 0.0000 1 212 44 44 HIS CB C 31.0096 0.0000 1 213 44 44 HIS N N 122.9048 0.0000 1 214 45 45 ALA H H 9.1613 0.0000 1 215 45 45 ALA C C 180.8945 0.0000 1 216 45 45 ALA CA C 54.6768 0.0000 1 217 45 45 ALA CB C 17.9229 0.0000 1 218 45 45 ALA N N 123.1859 0.0000 1 219 46 46 ASP H H 8.6489 0.0000 1 220 46 46 ASP C C 177.1492 0.0000 1 221 46 46 ASP CA C 58.2849 0.0000 1 222 46 46 ASP CB C 42.1159 0.0000 1 223 46 46 ASP N N 121.9236 0.0000 1 224 47 47 GLU H H 8.1742 0.0000 1 225 47 47 GLU C C 180.2083 0.0000 1 226 47 47 GLU CA C 59.8084 0.0000 1 227 47 47 GLU CB C 29.1156 0.0000 1 228 47 47 GLU N N 120.6965 0.0000 1 229 48 48 LEU H H 8.0938 0.0000 1 230 48 48 LEU C C 178.5214 0.0000 1 231 48 48 LEU CA C 58.2139 0.0000 1 232 48 48 LEU CB C 40.3607 0.0000 1 233 48 48 LEU N N 118.8520 0.0000 1 234 49 49 TYR H H 8.7115 0.0000 1 235 49 49 TYR C C 176.2608 0.0000 1 236 49 49 TYR CA C 62.2422 0.0000 1 237 49 49 TYR CB C 38.1188 0.0000 1 238 49 49 TYR N N 120.9517 0.0000 1 239 50 50 ARG H H 8.9176 0.0000 1 240 50 50 ARG C C 179.1997 0.0000 1 241 50 50 ARG CA C 60.1811 0.0000 1 242 50 50 ARG CB C 29.8772 0.0000 1 243 50 50 ARG N N 117.7261 0.0000 1 244 51 51 SER H H 7.8759 0.0000 1 245 51 51 SER C C 179.1981 0.0000 1 246 51 51 SER CA C 61.4002 0.0000 1 247 51 51 SER CB C 63.7551 0.0000 1 248 51 51 SER N N 114.6249 0.0000 1 249 52 52 CYS H H 8.4479 0.0000 1 250 52 52 CYS C C 175.7856 0.0000 1 251 52 52 CYS CA C 64.2311 0.0000 1 252 52 52 CYS CB C 27.3954 0.0000 1 253 52 52 CYS N N 116.7050 0.0000 1 254 53 53 LEU H H 8.8398 0.0000 1 255 53 53 LEU C C 179.2442 0.0000 1 256 53 53 LEU CA C 58.1299 0.0000 1 257 53 53 LEU CB C 42.1242 0.0000 1 258 53 53 LEU N N 123.6400 0.0000 1 259 54 54 ALA H H 7.4919 0.0000 1 260 54 54 ALA C C 178.6220 0.0000 1 261 54 54 ALA CA C 54.4255 0.0000 1 262 54 54 ALA CB C 17.9939 0.0000 1 263 54 54 ALA N N 120.0638 0.0000 1 264 55 55 ARG H H 7.1055 0.0000 1 265 55 55 ARG C C 177.6702 0.0000 1 266 55 55 ARG CA C 57.6970 0.0000 1 267 55 55 ARG CB C 31.1939 0.0000 1 268 55 55 ARG N N 116.4646 0.0000 1 269 56 56 PHE H H 8.6008 0.0000 1 270 56 56 PHE C C 177.0251 0.0000 1 271 56 56 PHE CA C 55.9123 0.0000 1 272 56 56 PHE CB C 40.1534 0.0000 1 273 56 56 PHE N N 114.9948 0.0000 1 274 57 57 GLY H H 7.9144 0.0000 1 275 57 57 GLY C C 172.5378 0.0000 1 276 57 57 GLY CA C 45.2458 0.0000 1 277 57 57 GLY N N 108.2516 0.0000 1 278 58 58 ASP H H 8.2509 0.0000 1 279 58 58 ASP C C 176.3399 0.0000 1 280 58 58 ASP CA C 53.7619 0.0000 1 281 58 58 ASP CB C 42.0394 0.0000 1 282 58 58 ASP N N 118.8213 0.0000 1 283 59 59 ASP H H 8.4971 0.0000 1 284 59 59 ASP C C 177.0415 0.0000 1 285 59 59 ASP CA C 54.5389 0.0000 1 286 59 59 ASP CB C 41.1248 0.0000 1 287 59 59 ASP N N 121.5684 0.0000 1 288 60 60 GLY H H 8.5178 0.0000 1 289 60 60 GLY C C 174.4431 0.0000 1 290 60 60 GLY CA C 45.7073 0.0000 1 291 60 60 GLY N N 109.2844 0.0000 1 292 61 61 GLU H H 8.2144 0.0000 1 293 61 61 GLU C C 176.1661 0.0000 1 294 61 61 GLU CA C 56.6040 0.0000 1 295 61 61 GLU CB C 30.4539 0.0000 1 296 61 61 GLU N N 120.1076 0.0000 1 297 62 62 ASN H H 8.5326 0.0000 1 298 62 62 ASN C C 174.0001 0.0000 1 299 62 62 ASN CA C 53.3733 0.0000 1 300 62 62 ASN CB C 39.0987 0.0000 1 301 62 62 ASN N N 119.7702 0.0000 1 302 63 63 LEU H H 7.8420 0.0000 1 303 63 63 LEU C C 173.0194 0.0000 1 304 63 63 LEU CA C 56.7981 0.0000 1 305 63 63 LEU CB C 43.4148 0.0000 1 306 63 63 LEU N N 127.7811 0.0000 1 stop_ save_