data_25329 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone Assignment Of the homodimer HUB2 from E.coli at 293K ; _BMRB_accession_number 25329 _BMRB_flat_file_name bmr25329.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" 85 "13C chemical shifts" 252 "15N chemical shifts" 85 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 25328 HUA2 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 HUB2 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'HUB2, chain 1' $entity 'HUB2, 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 HUB2 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 90 _Mol_residue_sequence ; MNKSQLIDKIAAGADISKAA AGRALDAIIASVTESLKEGD DVALVGFGTFAVKERAARTG RNPQTGKEITIAAAKVPSFR AGKALKDAVN ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ASN 3 LYS 4 SER 5 GLN 6 LEU 7 ILE 8 ASP 9 LYS 10 ILE 11 ALA 12 ALA 13 GLY 14 ALA 15 ASP 16 ILE 17 SER 18 LYS 19 ALA 20 ALA 21 ALA 22 GLY 23 ARG 24 ALA 25 LEU 26 ASP 27 ALA 28 ILE 29 ILE 30 ALA 31 SER 32 VAL 33 THR 34 GLU 35 SER 36 LEU 37 LYS 38 GLU 39 GLY 40 ASP 41 ASP 42 VAL 43 ALA 44 LEU 45 VAL 46 GLY 47 PHE 48 GLY 49 THR 50 PHE 51 ALA 52 VAL 53 LYS 54 GLU 55 ARG 56 ALA 57 ALA 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 THR 71 ILE 72 ALA 73 ALA 74 ALA 75 LYS 76 VAL 77 PRO 78 SER 79 PHE 80 ARG 81 ALA 82 GLY 83 LYS 84 ALA 85 LEU 86 LYS 87 ASP 88 ALA 89 VAL 90 ASN 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-hupB 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 0.5 mM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 200 mM 'natural abundance' DTT 0.05 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % '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 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 Bruker _Model Avance _Field_strength 700 _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_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _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_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_7 _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' 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 HNCA' '3D HNCACB' '3D HN(CO)CA' '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 'HUB2, 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 171.951 0.2 1 2 1 1 MET CA C 55.108 0.2 1 3 1 1 MET CB C 34.584 0.2 1 4 2 2 ASN H H 8.650 0.01 1 5 2 2 ASN C C 175.389 0.2 1 6 2 2 ASN CA C 51.056 0.2 1 7 2 2 ASN CB C 39.997 0.2 1 8 2 2 ASN N N 125.789 0.2 1 9 3 3 LYS H H 8.521 0.01 1 10 3 3 LYS C C 177.273 0.2 1 11 3 3 LYS CA C 61.177 0.2 1 12 3 3 LYS CB C 34.115 0.2 1 13 3 3 LYS N N 118.248 0.2 1 14 4 4 SER H H 8.186 0.01 1 15 4 4 SER C C 177.180 0.2 1 16 4 4 SER CA C 62.102 0.2 1 17 4 4 SER CB C 62.444 0.2 1 18 4 4 SER N N 113.750 0.2 1 19 5 5 GLN H H 8.363 0.01 1 20 5 5 GLN C C 179.369 0.2 1 21 5 5 GLN CA C 58.409 0.2 1 22 5 5 GLN CB C 30.170 0.2 1 23 5 5 GLN N N 120.324 0.2 1 24 6 6 LEU H H 8.395 0.01 1 25 6 6 LEU C C 178.554 0.2 1 26 6 6 LEU CA C 58.087 0.2 1 27 6 6 LEU CB C 41.258 0.2 1 28 6 6 LEU N N 122.359 0.2 1 29 7 7 ILE H H 8.550 0.01 1 30 7 7 ILE C C 177.461 0.2 1 31 7 7 ILE CA C 66.905 0.2 1 32 7 7 ILE CB C 37.224 0.2 1 33 7 7 ILE N N 120.532 0.2 1 34 8 8 ASP H H 7.498 0.01 1 35 8 8 ASP CA C 58.012 0.2 1 36 8 8 ASP CB C 40.099 0.2 1 37 8 8 ASP N N 119.125 0.2 1 38 9 9 LYS H H 7.706 0.01 1 39 9 9 LYS C C 180.612 0.2 1 40 9 9 LYS CA C 58.821 0.2 1 41 9 9 LYS CB C 33.308 0.2 1 42 9 9 LYS N N 120.170 0.2 1 43 10 10 ILE H H 8.751 0.01 1 44 10 10 ILE C C 176.917 0.2 1 45 10 10 ILE CA C 65.504 0.2 1 46 10 10 ILE N N 122.153 0.2 1 47 11 11 ALA H H 8.460 0.01 1 48 11 11 ALA C C 179.719 0.2 1 49 11 11 ALA CA C 55.381 0.2 1 50 11 11 ALA CB C 17.788 0.2 1 51 11 11 ALA N N 122.173 0.2 1 52 12 12 ALA H H 7.516 0.01 1 53 12 12 ALA C C 180.635 0.2 1 54 12 12 ALA CA C 54.261 0.2 1 55 12 12 ALA CB C 18.681 0.2 1 56 12 12 ALA N N 116.285 0.2 1 57 13 13 GLY H H 8.256 0.01 1 58 13 13 GLY C C 174.783 0.2 1 59 13 13 GLY CA C 46.632 0.2 1 60 13 13 GLY N N 105.415 0.2 1 61 14 14 ALA H H 8.478 0.01 1 62 14 14 ALA C C 175.477 0.2 1 63 14 14 ALA CA C 51.219 0.2 1 64 14 14 ALA CB C 19.100 0.2 1 65 14 14 ALA N N 119.696 0.2 1 66 15 15 ASP H H 7.731 0.01 1 67 15 15 ASP C C 174.809 0.2 1 68 15 15 ASP CA C 55.190 0.2 1 69 15 15 ASP CB C 39.329 0.2 1 70 15 15 ASP N N 119.489 0.2 1 71 16 16 ILE H H 7.864 0.01 1 72 16 16 ILE C C 174.657 0.2 1 73 16 16 ILE CA C 58.872 0.2 1 74 16 16 ILE CB C 41.443 0.2 1 75 16 16 ILE N N 110.025 0.2 1 76 17 17 SER H H 8.530 0.01 1 77 17 17 SER C C 174.796 0.2 1 78 17 17 SER CA C 57.462 0.2 1 79 17 17 SER CB C 64.858 0.2 1 80 17 17 SER N N 115.582 0.2 1 81 18 18 LYS H H 8.911 0.01 1 82 18 18 LYS C C 180.070 0.2 1 83 18 18 LYS CA C 60.693 0.2 1 84 18 18 LYS CB C 31.752 0.2 1 85 18 18 LYS N N 120.292 0.2 1 86 19 19 ALA H H 8.538 0.01 1 87 19 19 ALA C C 180.497 0.2 1 88 19 19 ALA CA C 55.121 0.2 1 89 19 19 ALA CB C 19.224 0.2 1 90 19 19 ALA N N 122.424 0.2 1 91 20 20 ALA H H 8.197 0.01 1 92 20 20 ALA C C 179.397 0.2 1 93 20 20 ALA CA C 55.210 0.2 1 94 20 20 ALA CB C 18.827 0.2 1 95 20 20 ALA N N 123.306 0.2 1 96 21 21 ALA H H 8.858 0.01 1 97 21 21 ALA C C 179.336 0.2 1 98 21 21 ALA CA C 55.379 0.2 1 99 21 21 ALA CB C 19.761 0.2 1 100 21 21 ALA N N 121.019 0.2 1 101 22 22 GLY H H 8.312 0.01 1 102 22 22 GLY C C 176.152 0.2 1 103 22 22 GLY CA C 47.747 0.2 1 104 22 22 GLY N N 105.194 0.2 1 105 23 23 ARG H H 7.810 0.01 1 106 23 23 ARG C C 179.982 0.2 1 107 23 23 ARG CA C 59.634 0.2 1 108 23 23 ARG CB C 30.565 0.2 1 109 23 23 ARG N N 120.770 0.2 1 110 24 24 ALA H H 8.905 0.01 1 111 24 24 ALA C C 178.391 0.2 1 112 24 24 ALA CA C 55.328 0.2 1 113 24 24 ALA CB C 16.853 0.2 1 114 24 24 ALA N N 123.440 0.2 1 115 25 25 LEU H H 8.112 0.01 1 116 25 25 LEU C C 178.307 0.2 1 117 25 25 LEU CA C 57.842 0.2 1 118 25 25 LEU CB C 41.133 0.2 1 119 25 25 LEU N N 118.319 0.2 1 120 26 26 ASP H H 8.191 0.01 1 121 26 26 ASP C C 179.204 0.2 1 122 26 26 ASP CA C 57.668 0.2 1 123 26 26 ASP CB C 39.872 0.2 1 124 26 26 ASP N N 118.874 0.2 1 125 27 27 ALA H H 8.276 0.01 1 126 27 27 ALA C C 181.059 0.2 1 127 27 27 ALA CA C 54.815 0.2 1 128 27 27 ALA CB C 18.899 0.2 1 129 27 27 ALA N N 122.465 0.2 1 130 28 28 ILE H H 8.171 0.01 1 131 28 28 ILE C C 176.312 0.2 1 132 28 28 ILE CA C 66.942 0.2 1 133 28 28 ILE N N 121.786 0.2 1 134 29 29 ILE H H 7.877 0.01 1 135 29 29 ILE C C 179.298 0.2 1 136 29 29 ILE CA C 65.967 0.2 1 137 29 29 ILE CB C 37.342 0.2 1 138 29 29 ILE N N 120.536 0.2 1 139 30 30 ALA H H 8.569 0.01 1 140 30 30 ALA C C 180.261 0.2 1 141 30 30 ALA CA C 55.394 0.2 1 142 30 30 ALA CB C 18.151 0.2 1 143 30 30 ALA N N 123.516 0.2 1 144 31 31 SER H H 8.236 0.01 1 145 31 31 SER C C 176.552 0.2 1 146 31 31 SER CA C 62.830 0.2 1 147 31 31 SER CB C 63.147 0.2 1 148 31 31 SER N N 114.677 0.2 1 149 32 32 VAL H H 8.607 0.01 1 150 32 32 VAL C C 176.856 0.2 1 151 32 32 VAL CA C 66.995 0.2 1 152 32 32 VAL N N 122.001 0.2 1 153 33 33 THR H H 7.788 0.01 1 154 33 33 THR C C 175.037 0.2 1 155 33 33 THR CA C 68.357 0.2 1 156 33 33 THR CB C 69.917 0.2 1 157 33 33 THR N N 115.074 0.2 1 158 34 34 GLU H H 8.191 0.01 1 159 34 34 GLU C C 178.567 0.2 1 160 34 34 GLU CA C 59.527 0.2 1 161 34 34 GLU CB C 29.497 0.2 1 162 34 34 GLU N N 119.339 0.2 1 163 35 35 SER H H 7.936 0.01 1 164 35 35 SER C C 176.558 0.2 1 165 35 35 SER CA C 63.075 0.2 1 166 35 35 SER CB C 63.486 0.2 1 167 35 35 SER N N 114.923 0.2 1 168 36 36 LEU H H 8.154 0.01 1 169 36 36 LEU C C 180.765 0.2 1 170 36 36 LEU CA C 58.020 0.2 1 171 36 36 LEU CB C 43.506 0.2 1 172 36 36 LEU N N 119.435 0.2 1 173 37 37 LYS H H 8.518 0.01 1 174 37 37 LYS C C 177.908 0.2 1 175 37 37 LYS CA C 60.155 0.2 1 176 37 37 LYS CB C 32.437 0.2 1 177 37 37 LYS N N 121.470 0.2 1 178 38 38 GLU H H 7.550 0.01 1 179 38 38 GLU C C 176.864 0.2 1 180 38 38 GLU CA C 56.071 0.2 1 181 38 38 GLU CB C 29.930 0.2 1 182 38 38 GLU N N 115.477 0.2 1 183 39 39 GLY H H 7.988 0.01 1 184 39 39 GLY C C 173.850 0.2 1 185 39 39 GLY CA C 45.607 0.2 1 186 39 39 GLY N N 108.396 0.2 1 187 40 40 ASP H H 8.314 0.01 1 188 40 40 ASP C C 174.603 0.2 1 189 40 40 ASP CA C 52.857 0.2 1 190 40 40 ASP CB C 42.643 0.2 1 191 40 40 ASP N N 122.778 0.2 1 192 41 41 ASP H H 8.199 0.01 1 193 41 41 ASP C C 176.378 0.2 1 194 41 41 ASP CA C 53.394 0.2 1 195 41 41 ASP CB C 41.905 0.2 1 196 41 41 ASP N N 121.757 0.2 1 197 42 42 VAL H H 9.013 0.01 1 198 42 42 VAL C C 174.057 0.2 1 199 42 42 VAL CA C 61.952 0.2 1 200 42 42 VAL CB C 33.152 0.2 1 201 42 42 VAL N N 119.773 0.2 1 202 43 43 ALA H H 8.650 0.01 1 203 43 43 ALA C C 175.717 0.2 1 204 43 43 ALA CA C 51.768 0.2 1 205 43 43 ALA CB C 20.301 0.2 1 206 43 43 ALA N N 131.635 0.2 1 207 44 44 LEU H H 8.639 0.01 1 208 44 44 LEU C C 175.624 0.2 1 209 44 44 LEU CA C 52.403 0.2 1 210 44 44 LEU CB C 42.384 0.2 1 211 44 44 LEU N N 124.394 0.2 1 212 45 45 VAL H H 8.400 0.01 1 213 45 45 VAL CA C 64.693 0.2 1 214 45 45 VAL N N 126.847 0.2 1 215 46 46 GLY C C 173.109 0.2 1 216 46 46 GLY CA C 45.453 0.2 1 217 47 47 PHE H H 8.353 0.01 1 218 47 47 PHE C C 173.986 0.2 1 219 47 47 PHE CA C 59.281 0.2 1 220 47 47 PHE CB C 41.251 0.2 1 221 47 47 PHE N N 120.772 0.2 1 222 48 48 GLY H H 8.564 0.01 1 223 48 48 GLY C C 171.094 0.2 1 224 48 48 GLY CA C 46.301 0.2 1 225 48 48 GLY N N 107.040 0.2 1 226 49 49 THR H H 7.609 0.01 1 227 49 49 THR C C 174.434 0.2 1 228 49 49 THR CA C 60.656 0.2 1 229 49 49 THR CB C 72.171 0.2 1 230 49 49 THR N N 114.294 0.2 1 231 50 50 PHE H H 9.549 0.01 1 232 50 50 PHE C C 173.617 0.2 1 233 50 50 PHE CA C 56.863 0.2 1 234 50 50 PHE CB C 41.299 0.2 1 235 50 50 PHE N N 126.948 0.2 1 236 51 51 ALA H H 8.964 0.01 1 237 51 51 ALA C C 176.093 0.2 1 238 51 51 ALA CA C 51.500 0.2 1 239 51 51 ALA CB C 23.735 0.2 1 240 51 51 ALA N N 124.900 0.2 1 241 52 52 VAL H H 8.886 0.01 1 242 52 52 VAL C C 175.430 0.2 1 243 52 52 VAL CA C 61.650 0.2 1 244 52 52 VAL CB C 33.474 0.2 1 245 52 52 VAL N N 119.123 0.2 1 246 53 53 LYS H H 8.521 0.01 1 247 53 53 LYS C C 175.137 0.2 1 248 53 53 LYS CA C 54.228 0.2 1 249 53 53 LYS CB C 35.144 0.2 1 250 53 53 LYS N N 126.555 0.2 1 251 54 54 GLU H H 8.826 0.01 1 252 54 54 GLU C C 175.880 0.2 1 253 54 54 GLU CA C 56.233 0.2 1 254 54 54 GLU CB C 31.093 0.2 1 255 54 54 GLU N N 123.595 0.2 1 256 55 55 ARG H H 9.026 0.01 1 257 55 55 ARG C C 175.214 0.2 1 258 55 55 ARG CA C 55.155 0.2 1 259 55 55 ARG CB C 31.672 0.2 1 260 55 55 ARG N N 127.469 0.2 1 261 56 56 ALA H H 8.444 0.01 1 262 56 56 ALA C C 177.919 0.2 1 263 56 56 ALA CA C 52.147 0.2 1 264 56 56 ALA CB C 19.512 0.2 1 265 56 56 ALA N N 127.308 0.2 1 266 57 57 ALA H H 8.651 0.01 1 267 57 57 ALA C C 177.459 0.2 1 268 57 57 ALA CA C 52.713 0.2 1 269 57 57 ALA CB C 19.340 0.2 1 270 57 57 ALA N N 123.822 0.2 1 271 58 58 ARG H H 8.620 0.01 1 272 58 58 ARG C C 174.794 0.2 1 273 58 58 ARG CA C 55.023 0.2 1 274 58 58 ARG CB C 33.137 0.2 1 275 58 58 ARG N N 119.273 0.2 1 276 59 59 THR H H 8.516 0.01 1 277 59 59 THR C C 174.582 0.2 1 278 59 59 THR CA C 61.477 0.2 1 279 59 59 THR CB C 70.521 0.2 1 280 59 59 THR N N 116.381 0.2 1 281 60 60 GLY H H 8.742 0.01 1 282 60 60 GLY C C 172.534 0.2 1 283 60 60 GLY CA C 44.568 0.2 1 284 60 60 GLY N N 112.785 0.2 1 285 61 61 ARG H H 8.533 0.01 1 286 61 61 ARG C C 175.727 0.2 1 287 61 61 ARG CA C 54.741 0.2 1 288 61 61 ARG CB C 32.642 0.2 1 289 61 61 ARG N N 120.367 0.2 1 290 62 62 ASN H H 8.917 0.01 1 291 62 62 ASN CA C 51.141 0.2 1 292 62 62 ASN CB C 39.441 0.2 1 293 62 62 ASN N N 125.818 0.2 1 294 63 63 PRO C C 177.617 0.2 1 295 63 63 PRO CA C 64.458 0.2 1 296 63 63 PRO CB C 32.097 0.2 1 297 64 64 GLN H H 8.279 0.01 1 298 64 64 GLN C C 177.510 0.2 1 299 64 64 GLN CA C 57.999 0.2 1 300 64 64 GLN CB C 29.420 0.2 1 301 64 64 GLN N N 116.438 0.2 1 302 65 65 THR H H 7.688 0.01 1 303 65 65 THR C C 176.334 0.2 1 304 65 65 THR CA C 61.398 0.2 1 305 65 65 THR CB C 70.855 0.2 1 306 65 65 THR N N 106.903 0.2 1 307 66 66 GLY H H 8.544 0.01 1 308 66 66 GLY C C 173.711 0.2 1 309 66 66 GLY CA C 45.595 0.2 1 310 66 66 GLY N N 111.412 0.2 1 311 67 67 LYS H H 7.660 0.01 1 312 67 67 LYS C C 176.073 0.2 1 313 67 67 LYS CA C 55.783 0.2 1 314 67 67 LYS CB C 33.558 0.2 1 315 67 67 LYS N N 119.877 0.2 1 316 68 68 GLU H H 8.702 0.01 1 317 68 68 GLU C C 176.250 0.2 1 318 68 68 GLU CA C 57.122 0.2 1 319 68 68 GLU CB C 30.629 0.2 1 320 68 68 GLU N N 122.606 0.2 1 321 69 69 ILE H H 8.446 0.01 1 322 69 69 ILE C C 174.970 0.2 1 323 69 69 ILE CA C 59.792 0.2 1 324 69 69 ILE CB C 41.681 0.2 1 325 69 69 ILE N N 121.549 0.2 1 326 70 70 THR H H 8.567 0.01 1 327 70 70 THR C C 173.933 0.2 1 328 70 70 THR CA C 62.354 0.2 1 329 70 70 THR CB C 69.972 0.2 1 330 70 70 THR N N 119.815 0.2 1 331 71 71 ILE H H 8.968 0.01 1 332 71 71 ILE C C 175.027 0.2 1 333 71 71 ILE CA C 60.641 0.2 1 334 71 71 ILE CB C 38.530 0.2 1 335 71 71 ILE N N 129.540 0.2 1 336 72 72 ALA H H 8.373 0.01 1 337 72 72 ALA C C 177.748 0.2 1 338 72 72 ALA CA C 52.365 0.2 1 339 72 72 ALA CB C 19.506 0.2 1 340 72 72 ALA N N 128.524 0.2 1 341 73 73 ALA H H 8.562 0.01 1 342 73 73 ALA C C 177.083 0.2 1 343 73 73 ALA CA C 52.642 0.2 1 344 73 73 ALA CB C 19.573 0.2 1 345 73 73 ALA N N 123.605 0.2 1 346 74 74 ALA H H 8.398 0.01 1 347 74 74 ALA C C 176.083 0.2 1 348 74 74 ALA CA C 51.754 0.2 1 349 74 74 ALA CB C 22.312 0.2 1 350 74 74 ALA N N 122.226 0.2 1 351 75 75 LYS H H 9.070 0.01 1 352 75 75 LYS C C 176.796 0.2 1 353 75 75 LYS CA C 55.874 0.2 1 354 75 75 LYS CB C 33.136 0.2 1 355 75 75 LYS N N 120.770 0.2 1 356 76 76 VAL H H 9.120 0.01 1 357 76 76 VAL CA C 58.973 0.2 1 358 76 76 VAL CB C 34.907 0.2 1 359 76 76 VAL N N 121.609 0.2 1 360 77 77 PRO C C 174.886 0.2 1 361 77 77 PRO CA C 62.379 0.2 1 362 77 77 PRO CB C 31.827 0.2 1 363 78 78 SER H H 9.263 0.01 1 364 78 78 SER C C 171.817 0.2 1 365 78 78 SER CA C 57.317 0.2 1 366 78 78 SER CB C 66.581 0.2 1 367 78 78 SER N N 119.310 0.2 1 368 79 79 PHE H H 8.645 0.01 1 369 79 79 PHE C C 173.597 0.2 1 370 79 79 PHE CA C 55.656 0.2 1 371 79 79 PHE CB C 43.578 0.2 1 372 79 79 PHE N N 122.897 0.2 1 373 80 80 ARG H H 8.104 0.01 1 374 80 80 ARG C C 174.666 0.2 1 375 80 80 ARG CA C 53.605 0.2 1 376 80 80 ARG CB C 31.324 0.2 1 377 80 80 ARG N N 128.120 0.2 1 378 81 81 ALA H H 8.592 0.01 1 379 81 81 ALA C C 177.056 0.2 1 380 81 81 ALA CA C 52.516 0.2 1 381 81 81 ALA CB C 20.069 0.2 1 382 81 81 ALA N N 128.713 0.2 1 383 82 82 GLY H H 8.363 0.01 1 384 82 82 GLY CA C 43.684 0.2 1 385 82 82 GLY N N 110.849 0.2 1 386 83 83 LYS C C 177.521 0.2 1 387 83 83 LYS CA C 60.054 0.2 1 388 83 83 LYS CB C 33.114 0.2 1 389 84 84 ALA H H 8.331 0.01 1 390 84 84 ALA C C 180.670 0.2 1 391 84 84 ALA CA C 55.193 0.2 1 392 84 84 ALA CB C 17.790 0.2 1 393 84 84 ALA N N 118.722 0.2 1 394 85 85 LEU H H 7.421 0.01 1 395 85 85 LEU C C 177.840 0.2 1 396 85 85 LEU CA C 57.556 0.2 1 397 85 85 LEU CB C 42.249 0.2 1 398 85 85 LEU N N 119.481 0.2 1 399 86 86 LYS H H 7.891 0.01 1 400 86 86 LYS C C 179.386 0.2 1 401 86 86 LYS CA C 60.825 0.2 1 402 86 86 LYS CB C 32.055 0.2 1 403 86 86 LYS N N 116.835 0.2 1 404 87 87 ASP H H 8.803 0.01 1 405 87 87 ASP C C 178.925 0.2 1 406 87 87 ASP CA C 56.869 0.2 1 407 87 87 ASP CB C 39.879 0.2 1 408 87 87 ASP N N 118.368 0.2 1 409 88 88 ALA H H 7.760 0.01 1 410 88 88 ALA C C 179.147 0.2 1 411 88 88 ALA CA C 54.542 0.2 1 412 88 88 ALA CB C 19.459 0.2 1 413 88 88 ALA N N 120.449 0.2 1 414 89 89 VAL H H 7.157 0.01 1 415 89 89 VAL C C 173.961 0.2 1 416 89 89 VAL CA C 61.135 0.2 1 417 89 89 VAL CB C 31.690 0.2 1 418 89 89 VAL N N 106.628 0.2 1 419 90 90 ASN H H 7.261 0.01 1 420 90 90 ASN CA C 55.382 0.2 1 421 90 90 ASN CB C 42.388 0.2 1 422 90 90 ASN N N 125.326 0.2 1 stop_ save_