data_25328 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone assignment of the homodimer HUA2 from E.coli ; _BMRB_accession_number 25328 _BMRB_flat_file_name bmr25328.str _Entry_type original _Submission_date 2014-11-12 _Accession_date 2014-11-12 _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 'Le Meur' Remy . . 2 Castaing Bertrand . . 3 Landon Celine . . 4 Loth Karine . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 86 "13C chemical shifts" 254 "15N chemical shifts" 86 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-03-10 update BMRB 'update entry citation' 2015-05-19 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 25329 HUB2 25330 HUAB stop_ _Original_release_date 2015-05-19 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Backbone assignment of the three dimers of HU from Escherichia coli at 293 K: EcHUalpha2, EcHUbeta2 2 and EcHUalphabeta2 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25924603 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 'Le Meur' Remy . . 2 Castaing Bertrand . . 3 Landon Celine . . 4 Loth Karine . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 9 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 359 _Page_last 363 _Year 2015 _Details . loop_ _Keyword E.coli HU Histone-like Homodimer stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name HUA2 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'HUA2, chain 1' $entity 'HUA2, chain 2' $entity 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_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common HUA2 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 90 _Mol_residue_sequence ; MNKTQLIDVIAEKAELSKTQ AKAALESTLAAITESLKEGD AVQLVGFGTFKVNHRAERTG RNPQTGKEIKIAAANVPAFV SGKALKDAVK ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ASN 3 LYS 4 THR 5 GLN 6 LEU 7 ILE 8 ASP 9 VAL 10 ILE 11 ALA 12 GLU 13 LYS 14 ALA 15 GLU 16 LEU 17 SER 18 LYS 19 THR 20 GLN 21 ALA 22 LYS 23 ALA 24 ALA 25 LEU 26 GLU 27 SER 28 THR 29 LEU 30 ALA 31 ALA 32 ILE 33 THR 34 GLU 35 SER 36 LEU 37 LYS 38 GLU 39 GLY 40 ASP 41 ALA 42 VAL 43 GLN 44 LEU 45 VAL 46 GLY 47 PHE 48 GLY 49 THR 50 PHE 51 LYS 52 VAL 53 ASN 54 HIS 55 ARG 56 ALA 57 GLU 58 ARG 59 THR 60 GLY 61 ARG 62 ASN 63 PRO 64 GLN 65 THR 66 GLY 67 LYS 68 GLU 69 ILE 70 LYS 71 ILE 72 ALA 73 ALA 74 ALA 75 ASN 76 VAL 77 PRO 78 ALA 79 PHE 80 VAL 81 SER 82 GLY 83 LYS 84 ALA 85 LEU 86 LYS 87 ASP 88 ALA 89 VAL 90 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 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 $entity 'recombinant technology' . Escherichia coli . pJES-hupA 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 $entity 1 mM '[U-99% 13C; U-99% 15N]' 'sodium chloride' 200 mM 'natural abundance' 'potassium phosphate' 20 mM 'natural abundance' DTT 0.05 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . 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_CcpNMR _Saveframe_category software _Name CcpNMR _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _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_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _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_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _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' 0.22 . M pH 7.5 . pH pressure 1 . atm temperature 293 . 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 HNCO' '3D CBCA(CO)NH' '3D HNCA' '3D HNCACB' '3D HN(CO)CA' 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 'HUA2, chain 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 C C 174.430 0.2 1 2 1 1 MET CA C 55.346 0.2 1 3 1 1 MET CB C 34.761 0.2 1 4 2 2 ASN H H 8.708 0.02 1 5 2 2 ASN C C 175.372 0.2 1 6 2 2 ASN CA C 51.057 0.2 1 7 2 2 ASN CB C 39.905 0.2 1 8 2 2 ASN N N 126.462 0.2 1 9 3 3 LYS H H 8.474 0.02 1 10 3 3 LYS C C 177.006 0.2 1 11 3 3 LYS CA C 61.169 0.2 1 12 3 3 LYS CB C 33.548 0.2 1 13 3 3 LYS N N 118.019 0.2 1 14 4 4 THR H H 7.905 0.02 1 15 4 4 THR C C 176.613 0.2 1 16 4 4 THR CA C 66.880 0.2 1 17 4 4 THR CB C 68.670 0.2 1 18 4 4 THR N N 114.123 0.2 1 19 5 5 GLN H H 8.364 0.02 1 20 5 5 GLN C C 178.911 0.2 1 21 5 5 GLN CA C 58.473 0.2 1 22 5 5 GLN CB C 29.578 0.2 1 23 5 5 GLN N N 120.706 0.2 1 24 6 6 LEU H H 8.404 0.02 1 25 6 6 LEU C C 177.651 0.2 1 26 6 6 LEU CA C 58.109 0.2 1 27 6 6 LEU CB C 47.817 0.2 1 28 6 6 LEU N N 121.971 0.2 1 29 7 7 ILE H H 8.409 0.02 1 30 7 7 ILE C C 176.774 0.2 1 31 7 7 ILE CA C 66.598 0.2 1 32 7 7 ILE CB C 37.610 0.2 1 33 7 7 ILE N N 119.856 0.2 1 34 8 8 ASP H H 7.369 0.02 1 35 8 8 ASP C C 179.525 0.2 1 36 8 8 ASP CA C 57.886 0.2 1 37 8 8 ASP CB C 40.096 0.2 1 38 8 8 ASP N N 118.652 0.2 1 39 9 9 VAL H H 7.756 0.02 1 40 9 9 VAL C C 177.814 0.2 1 41 9 9 VAL CA C 66.513 0.2 1 42 9 9 VAL N N 121.854 0.2 1 43 10 10 ILE H H 8.648 0.02 1 44 10 10 ILE C C 177.561 0.2 1 45 10 10 ILE CA C 66.191 0.2 1 46 10 10 ILE CB C 38.740 0.2 1 47 10 10 ILE N N 120.500 0.2 1 48 11 11 ALA H H 8.522 0.02 1 49 11 11 ALA C C 179.393 0.2 1 50 11 11 ALA CA C 56.006 0.2 1 51 11 11 ALA CB C 17.615 0.2 1 52 11 11 ALA N N 119.908 0.2 1 53 12 12 GLU H H 7.472 0.02 1 54 12 12 GLU C C 179.850 0.2 1 55 12 12 GLU CA C 59.049 0.2 1 56 12 12 GLU CB C 30.129 0.2 1 57 12 12 GLU N N 115.467 0.2 1 58 13 13 LYS H H 8.884 0.02 1 59 13 13 LYS C C 178.427 0.2 1 60 13 13 LYS CA C 58.759 0.2 1 61 13 13 LYS CB C 33.174 0.2 1 62 13 13 LYS N N 118.177 0.2 1 63 14 14 ALA H H 8.827 0.02 1 64 14 14 ALA C C 175.064 0.2 1 65 14 14 ALA CA C 51.512 0.2 1 66 14 14 ALA CB C 17.961 0.2 1 67 14 14 ALA N N 118.580 0.2 1 68 15 15 GLU H H 7.402 0.02 1 69 15 15 GLU C C 175.091 0.2 1 70 15 15 GLU CA C 57.112 0.2 1 71 15 15 GLU CB C 26.775 0.2 1 72 15 15 GLU N N 115.659 0.2 1 73 16 16 LEU H H 8.404 0.02 1 74 16 16 LEU C C 176.744 0.2 1 75 16 16 LEU CA C 52.260 0.2 1 76 16 16 LEU CB C 46.541 0.2 1 77 16 16 LEU N N 118.772 0.2 1 78 17 17 SER H H 8.802 0.02 1 79 17 17 SER C C 175.566 0.2 1 80 17 17 SER CA C 57.210 0.2 1 81 17 17 SER CB C 64.988 0.2 1 82 17 17 SER N N 114.861 0.2 1 83 18 18 LYS H H 9.086 0.02 1 84 18 18 LYS C C 179.411 0.2 1 85 18 18 LYS CA C 60.920 0.2 1 86 18 18 LYS CB C 31.738 0.2 1 87 18 18 LYS N N 120.867 0.2 1 88 19 19 THR H H 8.060 0.02 1 89 19 19 THR C C 177.315 0.2 1 90 19 19 THR CA C 66.490 0.2 1 91 19 19 THR CB C 68.646 0.2 1 92 19 19 THR N N 113.758 0.2 1 93 20 20 GLN H H 7.847 0.02 1 94 20 20 GLN C C 177.867 0.2 1 95 20 20 GLN CA C 58.430 0.2 1 96 20 20 GLN CB C 30.552 0.2 1 97 20 20 GLN N N 123.288 0.2 1 98 21 21 ALA H H 8.817 0.02 1 99 21 21 ALA C C 178.353 0.2 1 100 21 21 ALA CA C 55.316 0.2 1 101 21 21 ALA CB C 19.636 0.2 1 102 21 21 ALA N N 121.580 0.2 1 103 22 22 LYS H H 8.249 0.02 1 104 22 22 LYS C C 177.479 0.2 1 105 22 22 LYS CA C 60.060 0.2 1 106 22 22 LYS CB C 32.880 0.2 1 107 22 22 LYS N N 118.680 0.2 1 108 23 23 ALA H H 7.838 0.02 1 109 23 23 ALA C C 181.659 0.2 1 110 23 23 ALA CA C 54.858 0.2 1 111 23 23 ALA CB C 18.005 0.2 1 112 23 23 ALA N N 120.726 0.2 1 113 24 24 ALA H H 8.946 0.02 1 114 24 24 ALA C C 180.130 0.2 1 115 24 24 ALA CA C 55.539 0.2 1 116 24 24 ALA CB C 17.692 0.2 1 117 24 24 ALA N N 122.712 0.2 1 118 25 25 LEU H H 8.623 0.02 1 119 25 25 LEU C C 178.895 0.2 1 120 25 25 LEU CA C 58.272 0.2 1 121 25 25 LEU N N 122.119 0.2 1 122 26 26 GLU H H 9.009 0.02 1 123 26 26 GLU C C 180.839 0.2 1 124 26 26 GLU CA C 59.773 0.2 1 125 26 26 GLU CB C 28.474 0.2 1 126 26 26 GLU N N 117.777 0.2 1 127 27 27 SER H H 8.428 0.02 1 128 27 27 SER C C 175.684 0.2 1 129 27 27 SER CA C 62.641 0.2 1 130 27 27 SER CB C 62.858 0.2 1 131 27 27 SER N N 114.870 0.2 1 132 28 28 THR H H 7.969 0.02 1 133 28 28 THR C C 175.121 0.2 1 134 28 28 THR CA C 67.944 0.2 1 135 28 28 THR CB C 68.081 0.2 1 136 28 28 THR N N 121.380 0.2 1 137 29 29 LEU H H 7.794 0.02 1 138 29 29 LEU C C 180.255 0.2 1 139 29 29 LEU CA C 57.546 0.2 1 140 29 29 LEU CB C 39.106 0.2 1 141 29 29 LEU N N 118.500 0.2 1 142 30 30 ALA H H 8.222 0.02 1 143 30 30 ALA C C 179.299 0.2 1 144 30 30 ALA CA C 55.070 0.2 1 145 30 30 ALA CB C 18.184 0.2 1 146 30 30 ALA N N 122.864 0.2 1 147 31 31 ALA H H 8.163 0.02 1 148 31 31 ALA C C 180.771 0.2 1 149 31 31 ALA CA C 54.978 0.2 1 150 31 31 ALA CB C 19.051 0.2 1 151 31 31 ALA N N 120.868 0.2 1 152 32 32 ILE H H 7.977 0.02 1 153 32 32 ILE C C 176.731 0.2 1 154 32 32 ILE CA C 65.951 0.2 1 155 32 32 ILE CB C 38.502 0.2 1 156 32 32 ILE N N 118.195 0.2 1 157 33 33 THR H H 7.890 0.02 1 158 33 33 THR C C 175.253 0.2 1 159 33 33 THR CA C 68.246 0.2 1 160 33 33 THR CB C 68.429 0.2 1 161 33 33 THR N N 115.923 0.2 1 162 34 34 GLU H H 8.487 0.02 1 163 34 34 GLU C C 178.678 0.2 1 164 34 34 GLU CA C 59.558 0.2 1 165 34 34 GLU CB C 29.420 0.2 1 166 34 34 GLU N N 119.446 0.2 1 167 35 35 SER H H 7.879 0.02 1 168 35 35 SER C C 177.342 0.2 1 169 35 35 SER CA C 62.632 0.2 1 170 35 35 SER CB C 63.738 0.2 1 171 35 35 SER N N 115.109 0.2 1 172 36 36 LEU H H 8.118 0.02 1 173 36 36 LEU C C 180.856 0.2 1 174 36 36 LEU CA C 58.192 0.2 1 175 36 36 LEU CB C 40.926 0.2 1 176 36 36 LEU N N 119.732 0.2 1 177 37 37 LYS H H 8.551 0.02 1 178 37 37 LYS C C 177.795 0.2 1 179 37 37 LYS CA C 60.052 0.2 1 180 37 37 LYS CB C 32.393 0.2 1 181 37 37 LYS N N 122.130 0.2 1 182 38 38 GLU H H 7.454 0.02 1 183 38 38 GLU C C 176.786 0.2 1 184 38 38 GLU CA C 56.020 0.2 1 185 38 38 GLU CB C 29.744 0.2 1 186 38 38 GLU N N 115.427 0.2 1 187 39 39 GLY H H 8.054 0.02 1 188 39 39 GLY C C 173.756 0.2 1 189 39 39 GLY CA C 45.500 0.2 1 190 39 39 GLY N N 108.387 0.2 1 191 40 40 ASP H H 8.236 0.02 1 192 40 40 ASP C C 174.134 0.2 1 193 40 40 ASP CA C 52.958 0.2 1 194 40 40 ASP CB C 42.381 0.2 1 195 40 40 ASP N N 122.875 0.2 1 196 41 41 ALA H H 8.206 0.02 1 197 41 41 ALA C C 177.003 0.2 1 198 41 41 ALA CA C 51.749 0.2 1 199 41 41 ALA CB C 20.266 0.2 1 200 41 41 ALA N N 124.707 0.2 1 201 42 42 VAL H H 9.245 0.02 1 202 42 42 VAL C C 174.714 0.2 1 203 42 42 VAL CA C 61.325 0.2 1 204 42 42 VAL N N 121.296 0.2 1 205 43 43 GLN H H 8.782 0.02 1 206 43 43 GLN C C 172.019 0.2 1 207 43 43 GLN CA C 55.434 0.2 1 208 43 43 GLN CB C 30.230 0.2 1 209 43 43 GLN N N 127.640 0.2 1 210 44 44 LEU H H 8.710 0.02 1 211 44 44 LEU C C 175.626 0.2 1 212 44 44 LEU CA C 52.492 0.2 1 213 44 44 LEU CB C 41.535 0.2 1 214 44 44 LEU N N 126.420 0.2 1 215 45 45 VAL H H 8.364 0.02 1 216 45 45 VAL CA C 64.952 0.2 1 217 45 45 VAL CB C 31.217 0.2 1 218 45 45 VAL N N 125.094 0.2 1 219 46 46 GLY H H 7.885 0.02 1 220 46 46 GLY C C 173.025 0.2 1 221 46 46 GLY CA C 45.919 0.2 1 222 46 46 GLY N N 106.697 0.2 1 223 47 47 PHE H H 8.368 0.02 1 224 47 47 PHE C C 174.417 0.2 1 225 47 47 PHE CA C 60.922 0.2 1 226 47 47 PHE CB C 41.377 0.2 1 227 47 47 PHE N N 122.559 0.2 1 228 48 48 GLY H H 8.547 0.02 1 229 48 48 GLY C C 171.057 0.2 1 230 48 48 GLY CA C 45.999 0.2 1 231 48 48 GLY N N 105.773 0.2 1 232 49 49 THR H H 7.889 0.02 1 233 49 49 THR C C 173.874 0.2 1 234 49 49 THR CA C 60.571 0.2 1 235 49 49 THR CB C 72.703 0.2 1 236 49 49 THR N N 114.905 0.2 1 237 50 50 PHE H H 9.340 0.02 1 238 50 50 PHE C C 173.915 0.2 1 239 50 50 PHE CA C 57.084 0.2 1 240 50 50 PHE CB C 41.786 0.2 1 241 50 50 PHE N N 124.918 0.2 1 242 51 51 LYS H H 9.415 0.02 1 243 51 51 LYS C C 173.024 0.2 1 244 51 51 LYS CA C 54.888 0.2 1 245 51 51 LYS CB C 35.322 0.2 1 246 51 51 LYS N N 120.337 0.2 1 247 52 52 VAL H H 8.537 0.02 1 248 52 52 VAL C C 175.497 0.2 1 249 52 52 VAL CA C 61.027 0.2 1 250 52 52 VAL CB C 33.738 0.2 1 251 52 52 VAL N N 116.465 0.2 1 252 53 53 ASN H H 9.018 0.02 1 253 53 53 ASN C C 174.098 0.2 1 254 53 53 ASN CA C 51.327 0.2 1 255 53 53 ASN CB C 40.367 0.2 1 256 53 53 ASN N N 124.753 0.2 1 257 54 54 HIS H H 8.944 0.02 1 258 54 54 HIS C C 174.327 0.2 1 259 54 54 HIS CA C 56.033 0.2 1 260 54 54 HIS CB C 30.140 0.2 1 261 54 54 HIS N N 123.060 0.2 1 262 55 55 ARG H H 8.887 0.02 1 263 55 55 ARG C C 174.573 0.2 1 264 55 55 ARG CA C 54.921 0.2 1 265 55 55 ARG CB C 31.553 0.2 1 266 55 55 ARG N N 129.399 0.2 1 267 56 56 ALA H H 8.282 0.02 1 268 56 56 ALA C C 177.639 0.2 1 269 56 56 ALA CA C 51.890 0.2 1 270 56 56 ALA CB C 19.670 0.2 1 271 56 56 ALA N N 126.550 0.2 1 272 57 57 GLU H H 8.744 0.02 1 273 57 57 GLU C C 175.596 0.2 1 274 57 57 GLU CA C 56.835 0.2 1 275 57 57 GLU CB C 30.617 0.2 1 276 57 57 GLU N N 121.490 0.2 1 277 58 58 ARG H H 8.606 0.02 1 278 58 58 ARG C C 174.574 0.2 1 279 58 58 ARG CA C 54.929 0.2 1 280 58 58 ARG CB C 33.289 0.2 1 281 58 58 ARG N N 122.722 0.2 1 282 59 59 THR H H 8.511 0.02 1 283 59 59 THR C C 174.568 0.2 1 284 59 59 THR CA C 61.401 0.2 1 285 59 59 THR CB C 70.482 0.2 1 286 59 59 THR N N 115.802 0.2 1 287 60 60 GLY H H 8.807 0.02 1 288 60 60 GLY C C 172.575 0.2 1 289 60 60 GLY CA C 44.410 0.2 1 290 60 60 GLY N N 113.021 0.2 1 291 61 61 ARG H H 8.555 0.02 1 292 61 61 ARG C C 175.589 0.2 1 293 61 61 ARG CA C 54.675 0.2 1 294 61 61 ARG CB C 32.821 0.2 1 295 61 61 ARG N N 120.450 0.2 1 296 62 62 ASN H H 8.941 0.02 1 297 62 62 ASN CA C 51.108 0.2 1 298 62 62 ASN CB C 39.497 0.2 1 299 62 62 ASN N N 125.998 0.2 1 300 63 63 PRO C C 177.583 0.2 1 301 63 63 PRO CA C 64.506 0.2 1 302 63 63 PRO CB C 32.120 0.2 1 303 64 64 GLN H H 8.295 0.02 1 304 64 64 GLN C C 177.518 0.2 1 305 64 64 GLN CA C 58.052 0.2 1 306 64 64 GLN CB C 29.450 0.2 1 307 64 64 GLN N N 116.410 0.2 1 308 65 65 THR H H 7.685 0.02 1 309 65 65 THR C C 176.327 0.2 1 310 65 65 THR CA C 61.337 0.2 1 311 65 65 THR CB C 70.972 0.2 1 312 65 65 THR N N 106.719 0.2 1 313 66 66 GLY H H 8.556 0.02 1 314 66 66 GLY C C 173.680 0.2 1 315 66 66 GLY CA C 45.651 0.2 1 316 66 66 GLY N N 111.347 0.2 1 317 67 67 LYS H H 7.648 0.02 1 318 67 67 LYS C C 176.019 0.2 1 319 67 67 LYS CA C 55.848 0.2 1 320 67 67 LYS CB C 33.504 0.2 1 321 67 67 LYS N N 119.856 0.2 1 322 68 68 GLU H H 8.704 0.02 1 323 68 68 GLU C C 176.243 0.2 1 324 68 68 GLU CA C 57.071 0.2 1 325 68 68 GLU CB C 30.768 0.2 1 326 68 68 GLU N N 122.529 0.2 1 327 69 69 ILE H H 8.428 0.02 1 328 69 69 ILE C C 174.385 0.2 1 329 69 69 ILE CA C 59.680 0.2 1 330 69 69 ILE CB C 41.730 0.2 1 331 69 69 ILE N N 121.771 0.2 1 332 70 70 LYS H H 8.528 0.02 1 333 70 70 LYS C C 175.746 0.2 1 334 70 70 LYS CA C 55.658 0.2 1 335 70 70 LYS CB C 33.242 0.2 1 336 70 70 LYS N N 124.393 0.2 1 337 71 71 ILE H H 8.937 0.02 1 338 71 71 ILE C C 175.048 0.2 1 339 71 71 ILE CA C 60.532 0.2 1 340 71 71 ILE CB C 38.310 0.2 1 341 71 71 ILE N N 127.999 0.2 1 342 72 72 ALA H H 8.375 0.02 1 343 72 72 ALA C C 177.797 0.2 1 344 72 72 ALA CA C 52.430 0.2 1 345 72 72 ALA CB C 19.623 0.2 1 346 72 72 ALA N N 128.647 0.2 1 347 73 73 ALA H H 8.677 0.02 1 348 73 73 ALA C C 177.227 0.2 1 349 73 73 ALA CA C 52.490 0.2 1 350 73 73 ALA CB C 19.779 0.2 1 351 73 73 ALA N N 123.756 0.2 1 352 74 74 ALA H H 8.456 0.02 1 353 74 74 ALA C C 175.248 0.2 1 354 74 74 ALA CA C 51.683 0.2 1 355 74 74 ALA CB C 22.682 0.2 1 356 74 74 ALA N N 122.256 0.2 1 357 75 75 ASN H H 8.752 0.02 1 358 75 75 ASN C C 174.599 0.2 1 359 75 75 ASN CA C 52.288 0.2 1 360 75 75 ASN CB C 39.733 0.2 1 361 75 75 ASN N N 120.198 0.2 1 362 76 76 VAL H H 8.877 0.02 1 363 76 76 VAL CA C 58.362 0.2 1 364 76 76 VAL CB C 34.617 0.2 1 365 76 76 VAL N N 119.372 0.2 1 366 77 77 PRO C C 175.673 0.2 1 367 77 77 PRO CA C 62.321 0.2 1 368 77 77 PRO CB C 32.178 0.2 1 369 78 78 ALA H H 9.364 0.02 1 370 78 78 ALA C C 174.295 0.2 1 371 78 78 ALA CA C 51.494 0.2 1 372 78 78 ALA CB C 23.332 0.2 1 373 78 78 ALA N N 124.877 0.2 1 374 79 79 PHE H H 8.511 0.02 1 375 79 79 PHE C C 174.384 0.2 1 376 79 79 PHE CA C 55.286 0.2 1 377 79 79 PHE CB C 43.125 0.2 1 378 79 79 PHE N N 119.718 0.2 1 379 80 80 VAL H H 8.522 0.02 1 380 80 80 VAL CA C 60.253 0.2 1 381 80 80 VAL CB C 33.232 0.2 1 382 80 80 VAL N N 129.525 0.2 1 383 81 81 SER C C 174.359 0.2 1 384 81 81 SER CA C 59.845 0.2 1 385 81 81 SER CB C 64.223 0.2 1 386 82 82 GLY H H 8.378 0.02 1 387 82 82 GLY CA C 43.678 0.2 1 388 82 82 GLY N N 113.377 0.2 1 389 83 83 LYS H H 8.533 0.02 1 390 83 83 LYS C C 178.023 0.2 1 391 83 83 LYS CA C 60.004 0.2 1 392 83 83 LYS CB C 32.944 0.2 1 393 83 83 LYS N N 121.747 0.2 1 394 84 84 ALA H H 8.414 0.02 1 395 84 84 ALA C C 180.776 0.2 1 396 84 84 ALA CA C 55.122 0.2 1 397 84 84 ALA CB C 17.705 0.2 1 398 84 84 ALA N N 119.623 0.2 1 399 85 85 LEU H H 7.309 0.02 1 400 85 85 LEU C C 178.098 0.2 1 401 85 85 LEU CA C 57.794 0.2 1 402 85 85 LEU CB C 42.228 0.2 1 403 85 85 LEU N N 120.140 0.2 1 404 86 86 LYS H H 7.784 0.02 1 405 86 86 LYS C C 179.857 0.2 1 406 86 86 LYS CA C 60.618 0.2 1 407 86 86 LYS CB C 32.524 0.2 1 408 86 86 LYS N N 116.395 0.2 1 409 87 87 ASP H H 8.575 0.02 1 410 87 87 ASP C C 177.988 0.2 1 411 87 87 ASP CA C 56.772 0.2 1 412 87 87 ASP CB C 40.313 0.2 1 413 87 87 ASP N N 117.903 0.2 1 414 88 88 ALA H H 7.761 0.02 1 415 88 88 ALA C C 178.992 0.2 1 416 88 88 ALA CA C 54.543 0.2 1 417 88 88 ALA CB C 19.228 0.2 1 418 88 88 ALA N N 120.571 0.2 1 419 89 89 VAL H H 7.137 0.02 1 420 89 89 VAL C C 174.371 0.2 1 421 89 89 VAL CA C 60.921 0.2 1 422 89 89 VAL CB C 32.138 0.2 1 423 89 89 VAL N N 107.840 0.2 1 424 90 90 LYS H H 7.122 0.02 1 425 90 90 LYS CA C 59.167 0.2 1 426 90 90 LYS N N 126.034 0.2 1 stop_ save_