data_27172 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Ubiquitin V26A Mutant at pH 5.0 ; _BMRB_accession_number 27172 _BMRB_flat_file_name bmr27172.str _Entry_type original _Submission_date 2017-07-11 _Accession_date 2017-07-11 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Assignments for the V26A mutant form of ubiquitin at pH 5.0' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bruett Carter T. . 2 Soss Sarah E. . 3 Flynn Peter F. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 73 "13C chemical shifts" 220 "15N chemical shifts" 73 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-08-04 original BMRB . stop_ _Original_release_date 2017-07-11 save_ ############################# # Citation for this entry # ############################# save_Future _Saveframe_category entry_citation _Citation_full . _Citation_title ; Ubiquitin mutant V26A pH 5.0 ; _Citation_status published _Citation_type 'BMRB only' _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bruett Carter T. . 2 Soss Sarah E. . 3 Flynn Peter F. . 4 Bruett Carter T. . 5 Soss Sarah E. . 6 Flynn Peter F. . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Ubiquitin _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Ubiquitin $UBQ stop_ _System_molecular_weight 9359 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_UBQ _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common V26A_Ubiquitin _Molecular_mass 9359 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 82 _Mol_residue_sequence ; MQIFVKTLTGKTITLEVEPS DTIENAKAKIQDKEGIPPDQ QRLIFAGKQLEDGRTLSDYN IQKESTLHLVLRLRGGHHHH HH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 GLN 3 3 ILE 4 4 PHE 5 5 VAL 6 6 LYS 7 7 THR 8 8 LEU 9 9 THR 10 10 GLY 11 11 LYS 12 12 THR 13 13 ILE 14 14 THR 15 15 LEU 16 16 GLU 17 17 VAL 18 18 GLU 19 19 PRO 20 20 SER 21 21 ASP 22 22 THR 23 23 ILE 24 24 GLU 25 25 ASN 26 26 ALA 27 27 LYS 28 28 ALA 29 29 LYS 30 30 ILE 31 31 GLN 32 32 ASP 33 33 LYS 34 34 GLU 35 35 GLY 36 36 ILE 37 37 PRO 38 38 PRO 39 39 ASP 40 40 GLN 41 41 GLN 42 42 ARG 43 43 LEU 44 44 ILE 45 45 PHE 46 46 ALA 47 47 GLY 48 48 LYS 49 49 GLN 50 50 LEU 51 51 GLU 52 52 ASP 53 53 GLY 54 54 ARG 55 55 THR 56 56 LEU 57 57 SER 58 58 ASP 59 59 TYR 60 60 ASN 61 61 ILE 62 62 GLN 63 63 LYS 64 64 GLU 65 65 SER 66 66 THR 67 67 LEU 68 68 HIS 69 69 LEU 70 70 VAL 71 71 LEU 72 72 ARG 73 73 LEU 74 74 ARG 75 75 GLY 76 76 GLY 77 77 HIS 78 78 HIS 79 79 HIS 80 80 HIS 81 81 HIS 82 82 HIS 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 $UBQ Human 9606 Eukaryota Metazoa Homo sapiens 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 $UBQ 'recombinant technology' . Escherichia coli 'BL21 D3' pET11a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '10% v/v D2O, 20 mM Acetate buffer, pH 5.0, trace NaN3, .337 mM ubiquitin concentration.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $UBQ .337 mM '[U-99% 13C; U-99% 15N]' D2O 10 v/v '[U-99% 2H]' H2O 90 v/v 'natural abundance' 'sodium azide' 0 na 'natural abundance' 'acetic acid' 20 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version '4.2 Rev A' loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_Felix _Saveframe_category software _Name Felix _Version 2007 loop_ _Vendor _Address _Electronic_address 'Accelrys Software Inc.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.115 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Agilent _Model INOVA _Field_strength 500 _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_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _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' 20 . mM pH 5.0 . pH pressure 1 . atm temperature 273 . 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 TMS C 13 protons ppm 0.00 external indirect . . . 0.251449530 water H 1 protons ppm 4.73 internal direct . . . 1.000000000 TMS N 15 protons ppm 0.00 external 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_ _Software_label $VNMRJ stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCA' '3D HNCACB' '3D CBCA(CO)NH' '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 Ubiquitin _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 170.360 . . 2 1 1 MET CA C 54.607 . . 3 1 1 MET CB C 33.101 . . 4 2 2 GLN H H 8.896 . . 5 2 2 GLN C C 175.711 . . 6 2 2 GLN CA C 55.087 . . 7 2 2 GLN CB C 30.604 . . 8 2 2 GLN N N 123.027 . . 9 3 3 ILE H H 8.337 . . 10 3 3 ILE C C 172.455 . . 11 3 3 ILE CA C 59.471 . . 12 3 3 ILE CB C 41.608 . . 13 3 3 ILE N N 115.732 . . 14 4 4 PHE H H 8.641 . . 15 4 4 PHE C C 175.082 . . 16 4 4 PHE CA C 55.348 . . 17 4 4 PHE CB C 41.360 . . 18 4 4 PHE N N 118.641 . . 19 5 5 VAL H H 9.341 . . 20 5 5 VAL C C 174.764 . . 21 5 5 VAL CA C 60.538 . . 22 5 5 VAL CB C 34.315 . . 23 5 5 VAL N N 121.319 . . 24 6 6 LYS H H 8.875 . . 25 6 6 LYS C C 177.102 . . 26 6 6 LYS CA C 54.617 . . 27 6 6 LYS CB C 34.463 . . 28 6 6 LYS N N 127.643 . . 29 7 7 THR H H 8.741 . . 30 7 7 THR C C 176.852 . . 31 7 7 THR CA C 60.495 . . 32 7 7 THR CB C 70.470 . . 33 7 7 THR N N 115.436 . . 34 8 8 LEU H H 9.138 . . 35 8 8 LEU C C 178.753 . . 36 8 8 LEU CA C 57.613 . . 37 8 8 LEU CB C 41.983 . . 38 8 8 LEU N N 121.531 . . 39 9 9 THR H H 7.648 . . 40 9 9 THR C C 175.430 . . 41 9 9 THR CA C 61.410 . . 42 9 9 THR CB C 68.976 . . 43 9 9 THR N N 105.943 . . 44 10 10 GLY H H 7.822 . . 45 10 10 GLY C C 173.931 . . 46 10 10 GLY CA C 45.493 . . 47 10 10 GLY N N 109.259 . . 48 11 11 LYS H H 7.279 . . 49 11 11 LYS C C 175.737 . . 50 11 11 LYS CA C 56.326 . . 51 11 11 LYS CB C 33.394 . . 52 11 11 LYS N N 121.915 . . 53 12 12 THR H H 8.661 . . 54 12 12 THR C C 174.252 . . 55 12 12 THR CA C 62.419 . . 56 12 12 THR CB C 69.690 . . 57 12 12 THR N N 120.672 . . 58 13 13 ILE H H 9.506 . . 59 13 13 ILE C C 175.148 . . 60 13 13 ILE CA C 59.949 . . 61 13 13 ILE CB C 40.913 . . 62 13 13 ILE N N 127.624 . . 63 14 14 THR H H 8.750 . . 64 14 14 THR C C 173.620 . . 65 14 14 THR CA C 61.879 . . 66 14 14 THR CB C 69.586 . . 67 14 14 THR N N 121.281 . . 68 15 15 LEU H H 8.786 . . 69 15 15 LEU C C 174.590 . . 70 15 15 LEU CA C 52.900 . . 71 15 15 LEU CB C 46.817 . . 72 15 15 LEU N N 125.279 . . 73 16 16 GLU H H 8.126 . . 74 16 16 GLU C C 175.684 . . 75 16 16 GLU CA C 54.931 . . 76 16 16 GLU CB C 29.543 . . 77 16 16 GLU N N 122.942 . . 78 17 17 VAL H H 8.842 . . 79 17 17 VAL C C 174.190 . . 80 17 17 VAL CA C 58.495 . . 81 17 17 VAL CB C 36.594 . . 82 17 17 VAL N N 117.555 . . 83 18 18 GLU H H 8.716 . . 84 18 18 GLU CA C 52.819 . . 85 18 18 GLU CB C 30.417 . . 86 18 18 GLU N N 119.655 . . 87 19 19 PRO C C 175.265 . . 88 19 19 PRO CA C 65.338 . . 89 19 19 PRO CB C 31.890 . . 90 20 20 SER H H 7.058 . . 91 20 20 SER C C 174.678 . . 92 20 20 SER CA C 57.502 . . 93 20 20 SER CB C 63.368 . . 94 20 20 SER N N 103.473 . . 95 21 21 ASP H H 8.006 . . 96 21 21 ASP C C 176.097 . . 97 21 21 ASP CA C 55.613 . . 98 21 21 ASP CB C 40.913 . . 99 21 21 ASP N N 123.706 . . 100 22 22 THR H H 7.927 . . 101 22 22 THR C C 176.538 . . 102 22 22 THR CA C 59.932 . . 103 22 22 THR CB C 71.374 . . 104 22 22 THR N N 108.513 . . 105 23 23 ILE H H 8.478 . . 106 23 23 ILE CA C 62.267 . . 107 23 23 ILE CB C 34.863 . . 108 23 23 ILE N N 121.316 . . 109 24 24 GLU H H 9.868 . . 110 24 24 GLU C C 178.857 . . 111 24 24 GLU CA C 60.567 . . 112 24 24 GLU CB C 28.523 . . 113 24 24 GLU N N 120.791 . . 114 25 25 ASN H H 8.006 . . 115 25 25 ASN C C 178.091 . . 116 25 25 ASN CA C 56.151 . . 117 25 25 ASN CB C 38.525 . . 118 25 25 ASN N N 121.254 . . 119 26 26 ALA H H 8.140 . . 120 26 26 ALA C C 179.134 . . 121 26 26 ALA CA C 55.893 . . 122 26 26 ALA CB C 16.038 . . 123 26 26 ALA N N 123.133 . . 124 27 27 LYS H H 8.516 . . 125 27 27 LYS C C 180.419 . . 126 27 27 LYS CA C 59.112 . . 127 27 27 LYS CB C 33.850 . . 128 27 27 LYS N N 116.912 . . 129 28 28 ALA H H 8.100 . . 130 28 28 ALA C C 180.235 . . 131 28 28 ALA CA C 55.381 . . 132 28 28 ALA CB C 17.733 . . 133 28 28 ALA N N 124.316 . . 134 29 29 LYS H H 7.838 . . 135 29 29 LYS C C 180.209 . . 136 29 29 LYS CA C 59.664 . . 137 29 29 LYS CB C 33.294 . . 138 29 29 LYS N N 119.847 . . 139 30 30 ILE H H 8.196 . . 140 30 30 ILE C C 178.133 . . 141 30 30 ILE CA C 66.019 . . 142 30 30 ILE CB C 36.844 . . 143 30 30 ILE N N 121.710 . . 144 31 31 GLN H H 8.556 . . 145 31 31 GLN C C 178.737 . . 146 31 31 GLN CA C 59.996 . . 147 31 31 GLN CB C 27.779 . . 148 31 31 GLN N N 123.653 . . 149 32 32 ASP H H 8.018 . . 150 32 32 ASP C C 177.238 . . 151 32 32 ASP CA C 57.396 . . 152 32 32 ASP CB C 40.814 . . 153 32 32 ASP N N 119.782 . . 154 33 33 LYS H H 7.375 . . 155 33 33 LYS C C 177.749 . . 156 33 33 LYS CA C 58.219 . . 157 33 33 LYS CB C 34.172 . . 158 33 33 LYS N N 115.502 . . 159 34 34 GLU H H 8.724 . . 160 34 34 GLU C C 177.842 . . 161 34 34 GLU CA C 55.356 . . 162 34 34 GLU CB C 33.153 . . 163 34 34 GLU N N 114.390 . . 164 35 35 GLY H H 8.574 . . 165 35 35 GLY C C 173.827 . . 166 35 35 GLY CA C 46.067 . . 167 35 35 GLY N N 108.942 . . 168 36 36 ILE H H 6.156 . . 169 36 36 ILE CA C 57.721 . . 170 36 36 ILE CB C 40.518 . . 171 36 36 ILE N N 120.202 . . 172 38 38 PRO C C 178.195 . . 173 38 38 PRO CA C 66.112 . . 174 38 38 PRO CB C 32.872 . . 175 39 39 ASP H H 8.545 . . 176 39 39 ASP C C 177.007 . . 177 39 39 ASP CA C 55.815 . . 178 39 39 ASP CB C 39.835 . . 179 39 39 ASP N N 113.726 . . 180 40 40 GLN H H 7.852 . . 181 40 40 GLN C C 175.226 . . 182 40 40 GLN CA C 55.689 . . 183 40 40 GLN CB C 30.282 . . 184 40 40 GLN N N 117.081 . . 185 41 41 GLN H H 7.495 . . 186 41 41 GLN C C 176.114 . . 187 41 41 GLN CA C 56.558 . . 188 41 41 GLN CB C 31.675 . . 189 41 41 GLN N N 118.127 . . 190 42 42 ARG H H 8.553 . . 191 42 42 ARG C C 173.917 . . 192 42 42 ARG CA C 55.089 . . 193 42 42 ARG CB C 31.719 . . 194 42 42 ARG N N 122.997 . . 195 43 43 LEU H H 8.812 . . 196 43 43 LEU C C 175.206 . . 197 43 43 LEU CA C 53.146 . . 198 43 43 LEU CB C 45.722 . . 199 43 43 LEU N N 124.400 . . 200 44 44 ILE H H 9.045 . . 201 44 44 ILE C C 175.844 . . 202 44 44 ILE CA C 59.018 . . 203 44 44 ILE CB C 41.263 . . 204 44 44 ILE N N 122.286 . . 205 45 45 PHE H H 8.844 . . 206 45 45 PHE C C 174.448 . . 207 45 45 PHE CA C 56.651 . . 208 45 45 PHE CB C 43.739 . . 209 45 45 PHE N N 125.476 . . 210 46 46 ALA H H 8.922 . . 211 46 46 ALA C C 177.224 . . 212 46 46 ALA CA C 52.638 . . 213 46 46 ALA CB C 16.587 . . 214 46 46 ALA N N 132.816 . . 215 47 47 GLY H H 8.175 . . 216 47 47 GLY C C 173.730 . . 217 47 47 GLY CA C 45.472 . . 218 47 47 GLY N N 102.593 . . 219 48 48 LYS H H 7.986 . . 220 48 48 LYS C C 174.585 . . 221 48 48 LYS CA C 54.703 . . 222 48 48 LYS CB C 34.476 . . 223 48 48 LYS N N 121.952 . . 224 49 49 GLN H H 8.634 . . 225 49 49 GLN C C 175.490 . . 226 49 49 GLN CA C 55.838 . . 227 49 49 GLN CB C 29.158 . . 228 49 49 GLN N N 122.806 . . 229 50 50 LEU H H 8.520 . . 230 50 50 LEU C C 176.605 . . 231 50 50 LEU CA C 54.382 . . 232 50 50 LEU CB C 41.257 . . 233 50 50 LEU N N 125.728 . . 234 51 51 GLU H H 8.381 . . 235 51 51 GLU C C 175.508 . . 236 51 51 GLU CA C 55.993 . . 237 51 51 GLU CB C 31.620 . . 238 51 51 GLU N N 123.345 . . 239 52 52 ASP H H 8.164 . . 240 52 52 ASP CA C 56.578 . . 241 52 52 ASP CB C 40.820 . . 242 52 52 ASP N N 120.515 . . 243 53 53 GLY C C 174.817 . . 244 53 53 GLY CA C 45.391 . . 245 54 54 ARG H H 7.437 . . 246 54 54 ARG C C 175.293 . . 247 54 54 ARG CA C 54.424 . . 248 54 54 ARG CB C 32.514 . . 249 54 54 ARG N N 119.371 . . 250 55 55 THR H H 8.767 . . 251 55 55 THR C C 176.349 . . 252 55 55 THR CA C 59.906 . . 253 55 55 THR CB C 72.010 . . 254 55 55 THR N N 108.865 . . 255 56 56 LEU H H 8.320 . . 256 56 56 LEU C C 180.812 . . 257 56 56 LEU CA C 58.971 . . 258 56 56 LEU CB C 39.949 . . 259 56 56 LEU N N 118.782 . . 260 57 57 SER H H 8.531 . . 261 57 57 SER C C 178.196 . . 262 57 57 SER CA C 60.998 . . 263 57 57 SER CB C 62.344 . . 264 57 57 SER N N 113.461 . . 265 58 58 ASP H H 7.938 . . 266 58 58 ASP C C 177.250 . . 267 58 58 ASP CA C 57.322 . . 268 58 58 ASP CB C 40.216 . . 269 58 58 ASP N N 124.677 . . 270 59 59 TYR H H 7.273 . . 271 59 59 TYR C C 174.685 . . 272 59 59 TYR CA C 58.204 . . 273 59 59 TYR CB C 39.839 . . 274 59 59 TYR N N 115.847 . . 275 60 60 ASN H H 8.186 . . 276 60 60 ASN C C 174.170 . . 277 60 60 ASN CA C 54.219 . . 278 60 60 ASN CB C 37.356 . . 279 60 60 ASN N N 115.789 . . 280 61 61 ILE H H 7.137 . . 281 61 61 ILE C C 174.351 . . 282 61 61 ILE CA C 62.477 . . 283 61 61 ILE CB C 36.878 . . 284 61 61 ILE N N 118.811 . . 285 62 62 GLN H H 7.639 . . 286 62 62 GLN C C 175.412 . . 287 62 62 GLN CA C 53.619 . . 288 62 62 GLN CB C 31.921 . . 289 62 62 GLN N N 125.175 . . 290 63 63 LYS H H 8.486 . . 291 63 63 LYS C C 176.020 . . 292 63 63 LYS CA C 58.044 . . 293 63 63 LYS CB C 32.483 . . 294 63 63 LYS N N 120.652 . . 295 64 64 GLU H H 9.329 . . 296 64 64 GLU C C 175.150 . . 297 64 64 GLU CA C 58.256 . . 298 64 64 GLU CB C 26.059 . . 299 64 64 GLU N N 115.006 . . 300 65 65 SER H H 7.804 . . 301 65 65 SER C C 172.032 . . 302 65 65 SER CA C 61.086 . . 303 65 65 SER CB C 64.788 . . 304 65 65 SER N N 115.362 . . 305 66 66 THR H H 8.734 . . 306 66 66 THR C C 173.703 . . 307 66 66 THR CA C 62.494 . . 308 66 66 THR CB C 70.026 . . 309 66 66 THR N N 117.238 . . 310 67 67 LEU H H 9.449 . . 311 67 67 LEU C C 175.518 . . 312 67 67 LEU CA C 53.990 . . 313 67 67 LEU CB C 44.513 . . 314 67 67 LEU N N 127.841 . . 315 68 68 HIS H H 9.234 . . 316 68 68 HIS C C 173.176 . . 317 68 68 HIS CA C 55.393 . . 318 68 68 HIS CB C 31.292 . . 319 68 68 HIS N N 118.461 . . 320 69 69 LEU H H 8.310 . . 321 69 69 LEU C C 175.265 . . 322 69 69 LEU CA C 53.894 . . 323 69 69 LEU CB C 44.388 . . 324 69 69 LEU N N 124.207 . . 325 70 70 VAL H H 9.201 . . 326 70 70 VAL C C 173.892 . . 327 70 70 VAL CA C 60.701 . . 328 70 70 VAL CB C 34.933 . . 329 70 70 VAL N N 127.112 . . 330 71 71 LEU H H 8.177 . . 331 71 71 LEU C C 177.811 . . 332 71 71 LEU CA C 54.095 . . 333 71 71 LEU CB C 42.855 . . 334 71 71 LEU N N 123.329 . . 335 72 72 ARG H H 8.640 . . 336 72 72 ARG C C 175.227 . . 337 72 72 ARG CA C 55.491 . . 338 72 72 ARG CB C 31.416 . . 339 72 72 ARG N N 123.900 . . 340 73 73 LEU H H 8.374 . . 341 73 73 LEU C C 177.390 . . 342 73 73 LEU CA C 55.136 . . 343 73 73 LEU CB C 42.369 . . 344 73 73 LEU N N 124.442 . . 345 74 74 ARG H H 8.388 . . 346 74 74 ARG C C 176.701 . . 347 74 74 ARG CA C 56.131 . . 348 74 74 ARG CB C 31.046 . . 349 74 74 ARG N N 122.337 . . 350 75 75 GLY H H 8.490 . . 351 75 75 GLY C C 174.463 . . 352 75 75 GLY CA C 45.167 . . 353 75 75 GLY N N 110.370 . . 354 76 76 GLY H H 8.320 . . 355 76 76 GLY C C 173.865 . . 356 76 76 GLY CA C 45.062 . . 357 76 76 GLY N N 108.382 . . 358 77 77 HIS H H 8.433 . . 359 77 77 HIS C C 173.598 . . 360 77 77 HIS CA C 55.544 . . 361 77 77 HIS CB C 29.383 . . 362 77 77 HIS N N 118.040 . . 363 78 78 HIS H H 8.346 . . 364 78 78 HIS CA C 57.189 . . 365 78 78 HIS CB C 29.707 . . 366 78 78 HIS N N 125.478 . . stop_ save_