data_11596 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Gallium ferredoxin ; _BMRB_accession_number 11596 _BMRB_flat_file_name bmr11596.str _Entry_type original _Submission_date 2015-08-04 _Accession_date 2015-08-04 _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 Mutoh Risa . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 92 "13C chemical shifts" 275 "15N chemical shifts" 92 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-03-11 update author 'update entry citation' 2017-03-08 original author 'original release' stop_ _Original_release_date 2015-08-04 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; X-ray Structure and Nuclear Magnetic Resonance Analysis of the Interaction Sites of the Ga-substituted Cyanobacterial Ferredoxin ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26348494 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mutoh Risa . . 2 Muraki Norifumi . . 3 Shinmura Kanako . . 4 Kubota-Kawai Hisako . . 5 Lee Young-Ho H. . 6 Nowaczyk Marc M. . 7 Rogner Matthias . . 8 Hase Toshiharu . . 9 Ikegami Takahisa . . 10 Kurisu Genji . . stop_ _Journal_abbreviation Biochemistry _Journal_volume 54 _Journal_issue 39 _Journal_ISSN 1520-4995 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 6052 _Page_last 6061 _Year 2015 _Details . loop_ _Keyword ferredoxin galliuim stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'gallium ferredoxin' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'gallium ferredoxin' $gallium_ferredoxin 'GALLIUM (III) ION' $entity_GA 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_gallium_ferredoxin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common gallium_ferredoxin _Molecular_mass . _Mol_thiol_state 'free and other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 97 _Mol_residue_sequence ; ATYKVTLVRPDGSETTIDVP EDEYILDVAEEQGLDLPFSC RAGACSTCAGKLLEGEVDQS DQSFLDDDQIEKGFVLTCVA YPRSDCKILTNQEEELY ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 ALA 2 2 THR 3 3 TYR 4 4 LYS 5 5 VAL 6 6 THR 7 7 LEU 8 8 VAL 9 9 ARG 10 10 PRO 11 11 ASP 12 12 GLY 13 13 SER 14 14 GLU 15 15 THR 16 16 THR 17 17 ILE 18 18 ASP 19 19 VAL 20 20 PRO 21 21 GLU 22 22 ASP 23 23 GLU 24 24 TYR 25 25 ILE 26 26 LEU 27 27 ASP 28 28 VAL 29 29 ALA 30 30 GLU 31 31 GLU 32 32 GLN 33 33 GLY 34 34 LEU 35 35 ASP 36 36 LEU 37 37 PRO 38 38 PHE 39 39 SER 40 40 CYS 41 41 ARG 42 42 ALA 43 43 GLY 44 44 ALA 45 45 CYS 46 46 SER 47 47 THR 48 48 CYS 49 49 ALA 50 50 GLY 51 51 LYS 52 52 LEU 53 53 LEU 54 54 GLU 55 55 GLY 56 56 GLU 57 57 VAL 58 58 ASP 59 59 GLN 60 60 SER 61 61 ASP 62 62 GLN 63 63 SER 64 64 PHE 65 65 LEU 66 66 ASP 67 67 ASP 68 68 ASP 69 69 GLN 70 70 ILE 71 71 GLU 72 72 LYS 73 73 GLY 74 74 PHE 75 75 VAL 76 76 LEU 77 77 THR 78 78 CYS 79 79 VAL 80 80 ALA 81 81 TYR 82 82 PRO 83 83 ARG 84 84 SER 85 85 ASP 86 86 CYS 87 87 LYS 88 88 ILE 89 89 LEU 90 90 THR 91 91 ASN 92 92 GLN 93 93 GLU 94 94 GLU 95 95 GLU 96 96 LEU 97 97 TYR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_GA _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common 'GALLIUM (III) ION' _BMRB_code GA _PDB_code GA _Molecular_mass 69.723 _Mol_charge 3 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons GA GA GA . 3 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $gallium_ferredoxin '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 $gallium_ferredoxin 'recombinant technology' . Escherichia coli . pET28a 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 $gallium_ferredoxin 0.1 mM '[U-13C; U-15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % [U-2H] stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . 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 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 950 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCO_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _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' 50 . mM pH 6.8 . 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 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' '2D 1H-15N HSQC' '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 'gallium ferredoxin' _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 8.147 . 1 2 2 2 THR C C 172.186 . 1 3 2 2 THR CA C 61.111 . 1 4 2 2 THR CB C 70.317 . 1 5 2 2 THR N N 115.776 . 1 6 3 3 TYR H H 8.247 . 1 7 3 3 TYR C C 174.264 . 1 8 3 3 TYR CA C 57.033 . 1 9 3 3 TYR CB C 41.913 . 1 10 3 3 TYR N N 124.875 . 1 11 4 4 LYS H H 9.112 . 1 12 4 4 LYS C C 176.556 . 1 13 4 4 LYS CA C 55.189 . 1 14 4 4 LYS CB C 32.438 . 1 15 4 4 LYS N N 121.187 . 1 16 5 5 VAL H H 9.558 . 1 17 5 5 VAL C C 174.796 . 1 18 5 5 VAL CA C 61.017 . 1 19 5 5 VAL CB C 33.246 . 1 20 5 5 VAL N N 127.94 . 1 21 6 6 THR H H 9.374 . 1 22 6 6 THR C C 172.808 . 1 23 6 6 THR CA C 62.312 . 1 24 6 6 THR CB C 69.496 . 1 25 6 6 THR N N 125.908 . 1 26 7 7 LEU H H 9.352 . 1 27 7 7 LEU C C 174.914 . 1 28 7 7 LEU CA C 52.97 . 1 29 7 7 LEU CB C 41.762 . 1 30 7 7 LEU N N 130.039 . 1 31 8 8 VAL H H 9.232 . 1 32 8 8 VAL C C 175.842 . 1 33 8 8 VAL CA C 61.046 . 1 34 8 8 VAL CB C 32.862 . 1 35 8 8 VAL N N 126.113 . 1 36 9 9 ARG H H 8.866 . 1 37 9 9 ARG C C 177.784 . 1 38 9 9 ARG CA C 53.401 . 1 39 9 9 ARG CB C 27.581 . 1 40 9 9 ARG N N 125.971 . 1 41 10 10 PRO C C 176.409 . 1 42 10 10 PRO CA C 65.445 . 1 43 10 10 PRO CB C 31.89 . 1 44 11 11 ASP H H 7.511 . 1 45 11 11 ASP C C 177.109 . 1 46 11 11 ASP CA C 53.49 . 1 47 11 11 ASP CB C 39.572 . 1 48 11 11 ASP N N 113.206 . 1 49 12 12 GLY H H 8.492 . 1 50 12 12 GLY C C 174.513 . 1 51 12 12 GLY CA C 44.952 . 1 52 12 12 GLY N N 109.727 . 1 53 13 13 SER H H 8.318 . 1 54 13 13 SER C C 172.447 . 1 55 13 13 SER CA C 58.961 . 1 56 13 13 SER CB C 63.997 . 1 57 13 13 SER N N 118.51 . 1 58 14 14 GLU H H 8.387 . 1 59 14 14 GLU C C 176.206 . 1 60 14 14 GLU CA C 54.722 . 1 61 14 14 GLU CB C 33.419 . 1 62 14 14 GLU N N 118.067 . 1 63 15 15 THR H H 8.496 . 1 64 15 15 THR C C 172.631 . 1 65 15 15 THR CA C 61.992 . 1 66 15 15 THR CB C 71.737 . 1 67 15 15 THR N N 118.517 . 1 68 16 16 THR H H 8.959 . 1 69 16 16 THR C C 173.631 . 1 70 16 16 THR CA C 62.341 . 1 71 16 16 THR CB C 69.917 . 1 72 16 16 THR N N 124.661 . 1 73 17 17 ILE H H 9.018 . 1 74 17 17 ILE C C 173.165 . 1 75 17 17 ILE CA C 58.957 . 1 76 17 17 ILE CB C 41.572 . 1 77 17 17 ILE N N 122.121 . 1 78 18 18 ASP H H 8.51 . 1 79 18 18 ASP C C 175.504 . 1 80 18 18 ASP CA C 53.54 . 1 81 18 18 ASP CB C 41.718 . 1 82 18 18 ASP N N 123.205 . 1 83 19 19 VAL H H 9.513 . 1 84 19 19 VAL C C 173.614 . 1 85 19 19 VAL CA C 58.939 . 1 86 19 19 VAL CB C 35.125 . 1 87 19 19 VAL N N 124.296 . 1 88 20 20 PRO C C 179.05 . 1 89 20 20 PRO CA C 57.934 . 1 90 20 20 PRO CB C 29.576 . 1 91 21 21 GLU H H 7.369 . 1 92 21 21 GLU C C 177.807 . 1 93 21 21 GLU CA C 66.009 . 1 94 21 21 GLU CB C 31.449 . 1 95 21 21 GLU N N 120.124 . 1 96 22 22 ASP H H 8.285 . 1 97 22 22 ASP C C 179.263 . 1 98 22 22 ASP CA C 55.963 . 1 99 22 22 ASP CB C 18.465 . 1 100 22 22 ASP N N 122.124 . 1 101 23 23 GLU H H 8.612 . 1 102 23 23 GLU C C 181.09 . 1 103 23 23 GLU CA C 59.244 . 1 104 23 23 GLU CB C 30.068 . 1 105 23 23 GLU N N 117.716 . 1 106 24 24 TYR H H 7.869 . 1 107 24 24 TYR C C 176.043 . 1 108 24 24 TYR CA C 60.843 . 1 109 24 24 TYR CB C 43.704 . 1 110 24 24 TYR N N 122.896 . 1 111 25 25 ILE H H 10.452 . 1 112 25 25 ILE C C 178.073 . 1 113 25 25 ILE CA C 54.384 . 1 114 25 25 ILE CB C 42.44 . 1 115 25 25 ILE N N 121.026 . 1 116 26 26 LEU H H 8.654 . 1 117 26 26 LEU C C 175.966 . 1 118 26 26 LEU CA C 51.974 . 1 119 26 26 LEU CB C 41.328 . 1 120 26 26 LEU N N 122.552 . 1 121 27 27 ASP H H 8.283 . 1 122 27 27 ASP C C 178.812 . 1 123 27 27 ASP CA C 57.965 . 1 124 27 27 ASP CB C 40.399 . 1 125 27 27 ASP N N 116.62 . 1 126 28 28 VAL H H 8.111 . 1 127 28 28 VAL C C 178.455 . 1 128 28 28 VAL CA C 57.508 . 1 129 28 28 VAL N N 121.392 . 1 130 29 29 ALA H H 8.611 . 1 131 29 29 ALA C C 179.373 . 1 132 29 29 ALA CA C 59.175 . 1 133 29 29 ALA CB C 28.767 . 1 134 29 29 ALA N N 120.257 . 1 135 30 30 GLU H H 8.37 . 1 136 30 30 GLU C C 181.339 . 1 137 30 30 GLU CA C 64.746 . 1 138 30 30 GLU CB C 37.677 . 1 139 30 30 GLU N N 120.734 . 1 140 31 31 GLU H H 8.333 . 1 141 31 31 GLU C C 178.324 . 1 142 31 31 GLU CA C 59.509 . 1 143 31 31 GLU CB C 29.161 . 1 144 31 31 GLU N N 123.965 . 1 145 32 32 GLN H H 7.834 . 1 146 32 32 GLN C C 175.861 . 1 147 32 32 GLN CA C 55.168 . 1 148 32 32 GLN CB C 28.291 . 1 149 32 32 GLN N N 115.043 . 1 150 33 33 GLY H H 7.866 . 1 151 33 33 GLY C C 174.938 . 1 152 33 33 GLY CA C 46.03 . 1 153 33 33 GLY N N 107.266 . 1 154 34 34 LEU H H 8.075 . 1 155 34 34 LEU C C 176.057 . 1 156 34 34 LEU CA C 55.11 . 1 157 34 34 LEU CB C 42.2 . 1 158 34 34 LEU N N 120.505 . 1 159 35 35 ASP H H 8.492 . 1 160 35 35 ASP C C 175.299 . 1 161 35 35 ASP CA C 53.301 . 1 162 35 35 ASP CB C 40.08 . 1 163 35 35 ASP N N 122.065 . 1 164 36 36 LEU H H 7.991 . 1 165 36 36 LEU CB C 41.322 . 1 166 36 36 LEU N N 124.192 . 1 167 37 37 PRO C C 176.718 . 1 168 37 37 PRO CA C 62.551 . 1 169 37 37 PRO CB C 32.244 . 1 170 38 38 PHE H H 7.646 . 1 171 38 38 PHE C C 172.778 . 1 172 38 38 PHE CA C 58.061 . 1 173 38 38 PHE CB C 40.459 . 1 174 38 38 PHE N N 111.292 . 1 175 39 39 SER H H 8.727 . 1 176 39 39 SER C C 173.788 . 1 177 39 39 SER CA C 59.088 . 1 178 39 39 SER CB C 62.573 . 1 179 39 39 SER N N 115.545 . 1 180 40 40 CYS H H 7.617 . 1 181 40 40 CYS C C 174.624 . 1 182 40 40 CYS CA C 61.732 . 1 183 40 40 CYS CB C 31.461 . 1 184 40 40 CYS N N 125.812 . 1 185 41 41 ARG H H 9.946 . 1 186 41 41 ARG C C 176.456 . 1 187 41 41 ARG CA C 57.397 . 1 188 41 41 ARG CB C 30.544 . 1 189 41 41 ARG N N 127.278 . 1 190 42 42 ALA H H 9.741 . 1 191 42 42 ALA C C 177.748 . 1 192 42 42 ALA CA C 51.459 . 1 193 42 42 ALA CB C 21.354 . 1 194 42 42 ALA N N 125.215 . 1 195 43 43 GLY H H 7.884 . 1 196 43 43 GLY C C 171.968 . 1 197 43 43 GLY CA C 48.147 . 1 198 43 43 GLY N N 113.8 . 1 199 44 44 ALA H H 6.798 . 1 200 44 44 ALA C C 175.228 . 1 201 44 44 ALA CA C 51.228 . 1 202 44 44 ALA CB C 20.91 . 1 203 44 44 ALA N N 124.7 . 1 204 45 45 CYS H H 7.814 . 1 205 45 45 CYS C C 168.095 . 1 206 45 45 CYS CA C 57.669 . 1 207 45 45 CYS CB C 32.125 . 1 208 45 45 CYS N N 126.841 . 1 209 46 46 SER H H 7.041 . 1 210 46 46 SER C C 177.774 . 1 211 46 46 SER CA C 57.71 . 1 212 46 46 SER CB C 65.112 . 1 213 46 46 SER N N 152.742 . 1 214 47 47 THR H H 9.379 . 1 215 47 47 THR C C 175.482 . 1 216 47 47 THR CA C 67.396 . 1 217 47 47 THR CB C 68.471 . 1 218 47 47 THR N N 123.669 . 1 219 48 48 CYS H H 7.265 . 1 220 48 48 CYS C C 176.775 . 1 221 48 48 CYS CA C 57.516 . 1 222 48 48 CYS N N 114.32 . 1 223 49 49 ALA H H 7.447 . 1 224 49 49 ALA C C 178.368 . 1 225 49 49 ALA CA C 53.843 . 1 226 49 49 ALA CB C 19.094 . 1 227 49 49 ALA N N 127.27 . 1 228 50 50 GLY H H 9.918 . 1 229 50 50 GLY C C 171.219 . 1 230 50 50 GLY CA C 43.813 . 1 231 50 50 GLY N N 112.736 . 1 232 51 51 LYS H H 9.24 . 1 233 51 51 LYS C C 174.504 . 1 234 51 51 LYS CA C 54.921 . 1 235 51 51 LYS CB C 36.396 . 1 236 51 51 LYS N N 120.709 . 1 237 52 52 LEU H H 9.581 . 1 238 52 52 LEU C C 175.57 . 1 239 52 52 LEU CA C 55.352 . 1 240 52 52 LEU CB C 43.024 . 1 241 52 52 LEU N N 129.635 . 1 242 53 53 LEU H H 8.963 . 1 243 53 53 LEU C C 177.509 . 1 244 53 53 LEU CA C 55.71 . 1 245 53 53 LEU CB C 42.998 . 1 246 53 53 LEU N N 127.879 . 1 247 54 54 GLU H H 7.549 . 1 248 54 54 GLU C C 175.2 . 1 249 54 54 GLU CB C 33.905 . 1 250 54 54 GLU N N 115.425 . 1 251 55 55 GLY H H 8.561 . 1 252 55 55 GLY C C 171.951 . 1 253 55 55 GLY CA C 44.495 . 1 254 55 55 GLY N N 109.892 . 1 255 56 56 GLU H H 7.513 . 1 256 56 56 GLU C C 174.619 . 1 257 56 56 GLU CA C 55.102 . 1 258 56 56 GLU CB C 34.236 . 1 259 56 56 GLU N N 117.068 . 1 260 57 57 VAL H H 8.485 . 1 261 57 57 VAL C C 174.637 . 1 262 57 57 VAL CA C 58.458 . 1 263 57 57 VAL CB C 35.962 . 1 264 57 57 VAL N N 113.124 . 1 265 58 58 ASP H H 9.426 . 1 266 58 58 ASP C C 175.666 . 1 267 58 58 ASP CA C 53.512 . 1 268 58 58 ASP CB C 42.909 . 1 269 58 58 ASP N N 120.781 . 1 270 59 59 GLN H H 9.27 . 1 271 59 59 GLN C C 176.479 . 1 272 59 59 GLN CA C 52.953 . 1 273 59 59 GLN CB C 27.856 . 1 274 59 59 GLN N N 124.223 . 1 275 60 60 SER H H 8.523 . 1 276 60 60 SER C C 175.223 . 1 277 60 60 SER CA C 62.284 . 1 278 60 60 SER CB C 63.327 . 1 279 60 60 SER N N 117.68 . 1 280 61 61 ASP H H 8.917 . 1 281 61 61 ASP C C 176.321 . 1 282 61 61 ASP CA C 55.648 . 1 283 61 61 ASP CB C 40.98 . 1 284 61 61 ASP N N 119.328 . 1 285 62 62 GLN H H 8.554 . 1 286 62 62 GLN C C 174.31 . 1 287 62 62 GLN CA C 55.825 . 1 288 62 62 GLN CB C 27.6 . 1 289 62 62 GLN N N 122.276 . 1 290 63 63 SER H H 9.054 . 1 291 63 63 SER C C 173.5 . 1 292 63 63 SER CA C 57.669 . 1 293 63 63 SER CB C 65.126 . 1 294 63 63 SER N N 114.605 . 1 295 64 64 PHE H H 7.707 . 1 296 64 64 PHE C C 176.035 . 1 297 64 64 PHE CA C 60.906 . 1 298 64 64 PHE CB C 43.847 . 1 299 64 64 PHE N N 123.433 . 1 300 65 65 LEU H H 7.999 . 1 301 65 65 LEU C C 173.205 . 1 302 65 65 LEU CA C 55.055 . 1 303 65 65 LEU CB C 33.302 . 1 304 65 65 LEU N N 120.54 . 1 305 66 66 ASP H H 8.442 . 1 306 66 66 ASP C C 179.467 . 1 307 66 66 ASP CA C 54.593 . 1 308 66 66 ASP CB C 38.909 . 1 309 66 66 ASP N N 117.741 . 1 310 67 67 ASP H H 8.818 . 1 311 67 67 ASP C C 177.396 . 1 312 67 67 ASP CA C 66.303 . 1 313 67 67 ASP CB C 39.186 . 1 314 67 67 ASP N N 119.18 . 1 315 68 68 ASP H H 7.006 . 1 316 68 68 ASP C C 176.456 . 1 317 68 68 ASP CA C 58.484 . 1 318 68 68 ASP CB C 42.451 . 1 319 68 68 ASP N N 114.132 . 1 320 69 69 GLN H H 6.69 . 1 321 69 69 GLN C C 179.044 . 1 322 69 69 GLN CA C 57.843 . 1 323 69 69 GLN CB C 39.812 . 1 324 69 69 GLN N N 116.401 . 1 325 70 70 ILE H H 8.241 . 1 326 70 70 ILE C C 174.39 . 1 327 70 70 ILE CA C 57.863 . 1 328 70 70 ILE CB C 30.62 . 1 329 70 70 ILE N N 116.261 . 1 330 71 71 GLU H H 8.054 . 1 331 71 71 GLU C C 178.327 . 1 332 71 71 GLU CA C 52.324 . 1 333 71 71 GLU CB C 39.933 . 1 334 71 71 GLU N N 116.057 . 1 335 72 72 LYS H H 7.684 . 1 336 72 72 LYS C C 176.186 . 1 337 72 72 LYS CA C 57.403 . 1 338 72 72 LYS CB C 33.572 . 1 339 72 72 LYS N N 117.205 . 1 340 73 73 GLY H H 7.84 . 1 341 73 73 GLY C C 174.461 . 1 342 73 73 GLY CA C 44.906 . 1 343 73 73 GLY N N 104.889 . 1 344 74 74 PHE H H 7.794 . 1 345 74 74 PHE C C 175.799 . 1 346 74 74 PHE CA C 60.589 . 1 347 74 74 PHE CB C 39.788 . 1 348 74 74 PHE N N 118.434 . 1 349 75 75 VAL H H 8.615 . 1 350 75 75 VAL C C 174.237 . 1 351 75 75 VAL CA C 57.888 . 1 352 75 75 VAL CB C 35.734 . 1 353 75 75 VAL N N 115.488 . 1 354 76 76 LEU H H 8.471 . 1 355 76 76 LEU C C 175.915 . 1 356 76 76 LEU CA C 54.24 . 1 357 76 76 LEU CB C 38.231 . 1 358 76 76 LEU N N 126.186 . 1 359 77 77 THR H H 6.828 . 1 360 77 77 THR C C 175.246 . 1 361 77 77 THR CA C 66.055 . 1 362 77 77 THR CB C 70.008 . 1 363 77 77 THR N N 115.427 . 1 364 78 78 CYS H H 8.675 . 1 365 78 78 CYS C C 173.998 . 1 366 78 78 CYS CA C 58.649 . 1 367 78 78 CYS CB C 29.706 . 1 368 78 78 CYS N N 118.607 . 1 369 79 79 VAL H H 6.785 . 1 370 79 79 VAL C C 172.425 . 1 371 79 79 VAL CA C 59.375 . 1 372 79 79 VAL CB C 31.451 . 1 373 79 79 VAL N N 112.154 . 1 374 80 80 ALA H H 6.281 . 1 375 80 80 ALA C C 175.501 . 1 376 80 80 ALA CA C 50.312 . 1 377 80 80 ALA CB C 21.194 . 1 378 80 80 ALA N N 120.962 . 1 379 81 81 TYR H H 9.06 . 1 380 81 81 TYR CA C 54.432 . 1 381 81 81 TYR CB C 39.92 . 1 382 81 81 TYR N N 122.877 . 1 383 82 82 PRO C C 176.173 . 1 384 82 82 PRO CA C 63.661 . 1 385 82 82 PRO CB C 31.218 . 1 386 83 83 ARG H H 8.368 . 1 387 83 83 ARG C C 173.054 . 1 388 83 83 ARG CA C 53.292 . 1 389 83 83 ARG CB C 31.094 . 1 390 83 83 ARG N N 118.773 . 1 391 84 84 SER H H 7.63 . 1 392 84 84 SER C C 172.461 . 1 393 84 84 SER CA C 57.267 . 1 394 84 84 SER CB C 66.221 . 1 395 84 84 SER N N 114.767 . 1 396 85 85 ASP H H 8.727 . 1 397 85 85 ASP C C 179.394 . 1 398 85 85 ASP CA C 56.458 . 1 399 85 85 ASP CB C 39.589 . 1 400 85 85 ASP N N 120.976 . 1 401 86 86 CYS H H 9.132 . 1 402 86 86 CYS C C 172.341 . 1 403 86 86 CYS CA C 57.21 . 1 404 86 86 CYS CB C 32.563 . 1 405 86 86 CYS N N 120.638 . 1 406 87 87 LYS H H 8.41 . 1 407 87 87 LYS C C 174.923 . 1 408 87 87 LYS CA C 55.378 . 1 409 87 87 LYS CB C 35.95 . 1 410 87 87 LYS N N 121.375 . 1 411 88 88 ILE H H 9.293 . 1 412 88 88 ILE C C 173.692 . 1 413 88 88 ILE CA C 59.552 . 1 414 88 88 ILE CB C 43.343 . 1 415 88 88 ILE N N 127.041 . 1 416 89 89 LEU H H 9.319 . 1 417 89 89 LEU C C 177.04 . 1 418 89 89 LEU CA C 53.606 . 1 419 89 89 LEU CB C 43.92 . 1 420 89 89 LEU N N 129.537 . 1 421 90 90 THR H H 8.856 . 1 422 90 90 THR C C 174.97 . 1 423 90 90 THR CA C 62.081 . 1 424 90 90 THR CB C 70.126 . 1 425 90 90 THR N N 116.319 . 1 426 91 91 ASN H H 9.615 . 1 427 91 91 ASN C C 176.31 . 1 428 91 91 ASN CA C 55.411 . 1 429 91 91 ASN CB C 35.524 . 1 430 91 91 ASN N N 113.79 . 1 431 92 92 GLN H H 7.556 . 1 432 92 92 GLN C C 175.436 . 1 433 92 92 GLN CA C 54.721 . 1 434 92 92 GLN CB C 30.073 . 1 435 92 92 GLN N N 112.784 . 1 436 93 93 GLU H H 8.476 . 1 437 93 93 GLU C C 177.375 . 1 438 93 93 GLU CA C 61.115 . 1 439 93 93 GLU CB C 29.211 . 1 440 93 93 GLU N N 122.294 . 1 441 94 94 GLU H H 8.711 . 1 442 94 94 GLU C C 177.854 . 1 443 94 94 GLU CA C 58.448 . 1 444 94 94 GLU CB C 29.445 . 1 445 94 94 GLU N N 113.499 . 1 446 95 95 GLU H H 7.696 . 1 447 95 95 GLU C C 176.859 . 1 448 95 95 GLU CA C 56.181 . 1 449 95 95 GLU N N 116.335 . 1 450 96 96 LEU H H 7.294 . 1 451 96 96 LEU C C 175.742 . 1 452 96 96 LEU CA C 55.538 . 1 453 96 96 LEU CB C 41.936 . 1 454 96 96 LEU N N 118.756 . 1 455 97 97 TYR H H 7.003 . 1 456 97 97 TYR C C 180.405 . 1 457 97 97 TYR CA C 58.886 . 1 458 97 97 TYR CB C 39.79 . 1 459 97 97 TYR N N 123.392 . 1 stop_ save_