data_50093 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; C-terminal lobe of NOX5 EF-domain calcium loaded ; _BMRB_accession_number 50093 _BMRB_flat_file_name bmr50093.str _Entry_type original _Submission_date 2019-11-28 _Accession_date 2019-11-28 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Assignment of the isolated calcium loaded C-terminal lobe of the EF-domain of NOX5' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Pastore Annalisa . . 2 'Millana Fananas' Elisa . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 66 "13C chemical shifts" 137 "15N chemical shifts" 66 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-08-06 update BMRB 'update entry citation' 2020-01-10 original author 'original release' stop_ _Original_release_date 2019-12-02 save_ ############################# # Citation for this entry # ############################# save_citations_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; On the mechanism of calcium-dependent activation of NADPH oxidase 5 (NOX5) ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31785178 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Millana Elisa . . 2 Todesca Sofia . . 3 Sicorello Alessandro . . 4 Masino Laura . . 5 Pompach Petr . . 6 Magnani Francesca . . 7 Pastore Annalisa . . 8 Mattevi Andrea . . stop_ _Journal_abbreviation 'FEBS J.' _Journal_volume 287 _Journal_issue 12 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2486 _Page_last 2503 _Year 2020 _Details . loop_ _Keyword 'calcium activation, EF-hands, enzyme, NMR, structure' stop_ save_ ################################## # Molecular system description # ################################## save_assembly_1 _Saveframe_category molecular_system _Mol_system_name 'Holo protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'C-lobe of EF-domqin, hNOX5beta' $entity_1 'Ca2+, 1' $entity_CA 'Ca2+, 2' $entity_CA stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function Regulation stop_ _Database_query_date . _Details 'the domain bound to two calcium ions' save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 9715.906 _Mol_thiol_state 'not present' loop_ _Biological_function 'It catalyses formation of ROS' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count . _Mol_residue_sequence ; GDKLKFLFQVYDIDGSGSID PDELRTVLQSCLRESAISLP DEKLDQLTLALFESADADGN GAITFEELRDELQRFPGVME NLTISAAA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 77 GLY 2 78 ASP 3 79 LYS 4 80 LEU 5 81 LYS 6 82 PHE 7 83 LEU 8 84 PHE 9 85 GLN 10 86 VAL 11 87 TYR 12 88 ASP 13 89 ILE 14 90 ASP 15 91 GLY 16 92 SER 17 93 GLY 18 94 SER 19 95 ILE 20 96 ASP 21 97 PRO 22 98 ASP 23 99 GLU 24 100 LEU 25 101 ARG 26 102 THR 27 103 VAL 28 104 LEU 29 105 GLN 30 106 SER 31 107 CYS 32 108 LEU 33 109 ARG 34 110 GLU 35 111 SER 36 112 ALA 37 113 ILE 38 114 SER 39 115 LEU 40 116 PRO 41 117 ASP 42 118 GLU 43 119 LYS 44 120 LEU 45 121 ASP 46 122 GLN 47 123 LEU 48 124 THR 49 125 LEU 50 126 ALA 51 127 LEU 52 128 PHE 53 129 GLU 54 130 SER 55 131 ALA 56 132 ASP 57 133 ALA 58 134 ASP 59 135 GLY 60 136 ASN 61 137 GLY 62 138 ALA 63 139 ILE 64 140 THR 65 141 PHE 66 142 GLU 67 143 GLU 68 144 LEU 69 145 ARG 70 146 ASP 71 147 GLU 72 148 LEU 73 149 GLN 74 150 ARG 75 151 PHE 76 152 PRO 77 153 GLY 78 154 VAL 79 155 MET 80 156 GLU 81 157 ASN 82 158 LEU 83 159 THR 84 160 ILE 85 161 SER 86 162 ALA 87 163 ALA 88 164 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value UNP Q96PH1-4 NOX5beta . . . . . stop_ save_ ############# # Ligands # ############# save_CA _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common "entity_CA (CALCIUM ION)" _BMRB_code CA _PDB_code CA _Molecular_mass 40.078 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons CA CA CA . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source_1 _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_type _Vector_name _Details $entity_1 'recombinant technology' . E. coli BL21 'BL21 (DE3) cells (Novagen)' plasmid 'pET28 a+' 'Plasmid modified with an N-terminal 3Strep-tag(r) followed by a tobacco etch virus cleavage site.' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '13C 15N C-term lobe of NOX5 EF-hands with calcium; 50 mM Hepes buffer at pH 7.0, 25 mM NaCl, 0.5 TCEP' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 200 uM '[U-100% 13C; U-100% 15N]' 'HEPES pH 7' 50 mM 'natural abundance' NaCl 25 mM 'natural abundance' D2O 5 '% v/v' 'natural abundance' CaCl2 1 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task 'Data collection' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Zhengrong and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Zhengrong and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_4 _Saveframe_category software _Name CcpNmr_Analysis _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment and data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Avance III' _Field_strength '700, 800 and 950 MHz' _Details '700, 800 and 950 MHz' save_ ############################# # NMR applied experiments # ############################# save_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name HSQC _Sample_label $sample_1 save_ save_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_1 save_ save_HNcoCANH_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNcoCANH _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' 25 . mM pH 7 . pH pressure 1 . atm temperature 300 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Saveframe_category chemical_shift_reference _Details 'We reported only the HN, CA, Cb and N' 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 water H 1 protons ppm 4.775 internal direct . . . 1.0 water N 15 protons ppm 0 internal indirect . . . 0.1013414 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_1 stop_ loop_ _Experiment_label HSQC HNCACB HNcoCANH stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name 'C-lobe of EF-domqin, hNOX5beta' _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 77 1 GLY CA C 46.32 . 1 2 78 2 ASP H H 7.68 . 1 3 78 2 ASP CA C 58.26 . 1 4 78 2 ASP CB C 41.35 . 1 5 78 2 ASP N N 120.90 . 1 6 80 4 LEU CA C 57.63 . 1 7 80 4 LEU CB C 41.38 . 1 8 81 5 LYS H H 8.03 . 1 9 81 5 LYS CA C 59.46 . 1 10 81 5 LYS CB C 31.96 . 1 11 81 5 LYS N N 119.25 . 1 12 82 6 PHE H H 7.67 . 1 13 82 6 PHE CA C 60.62 . 1 14 82 6 PHE CB C 38.84 . 1 15 82 6 PHE N N 118.86 . 1 16 83 7 LEU H H 8.05 . 1 17 83 7 LEU CA C 57.62 . 1 18 83 7 LEU CB C 42.01 . 1 19 83 7 LEU N N 119.80 . 1 20 84 8 PHE H H 8.39 . 1 21 84 8 PHE CA C 62.56 . 1 22 84 8 PHE CB C 40.12 . 1 23 84 8 PHE N N 118.18 . 1 24 85 9 GLN H H 7.68 . 1 25 85 9 GLN CA C 58.32 . 1 26 85 9 GLN CB C 28.41 . 1 27 85 9 GLN N N 114.48 . 1 28 86 10 VAL H H 7.54 . 1 29 86 10 VAL CA C 65.11 . 1 30 86 10 VAL CB C 31.46 . 1 31 86 10 VAL N N 117.78 . 1 32 87 11 TYR H H 7.47 . 1 33 87 11 TYR CA C 59.35 . 1 34 87 11 TYR CB C 38.19 . 1 35 87 11 TYR N N 115.73 . 1 36 88 12 ASP CA C 52.75 . 1 37 88 12 ASP CB C 38.24 . 1 38 89 13 ILE H H 7.66 . 1 39 89 13 ILE CA C 64.44 . 1 40 89 13 ILE CB C 38.29 . 1 41 89 13 ILE N N 122.92 . 1 42 90 14 ASP H H 8.10 . 1 43 90 14 ASP CA C 52.69 . 1 44 90 14 ASP CB C 40.08 . 1 45 90 14 ASP N N 116.22 . 1 46 91 15 GLY H H 7.89 . 1 47 91 15 GLY CA C 46.99 . 1 48 91 15 GLY N N 109.38 . 1 49 92 16 SER H H 8.47 . 1 50 92 16 SER CA C 60.07 . 1 51 92 16 SER CB C 65.01 . 1 52 92 16 SER N N 116.16 . 1 53 93 17 GLY H H 10.95 . 1 54 93 17 GLY CA C 45.73 . 1 55 93 17 GLY N N 116.97 . 1 56 94 18 SER H H 7.68 . 1 57 94 18 SER CA C 56.86 . 1 58 94 18 SER CB C 65.41 . 1 59 94 18 SER N N 111.03 . 1 60 95 19 ILE H H 9.95 . 1 61 95 19 ILE CA C 58.78 . 1 62 95 19 ILE N N 128.78 . 1 63 96 20 ASP H H 8.93 . 1 64 96 20 ASP CA C 52.71 . 1 65 96 20 ASP CB C 40.74 . 1 66 96 20 ASP N N 130.11 . 1 67 102 26 THR H H 7.55 . 1 68 102 26 THR CA C 66.91 . 1 69 102 26 THR CB C 68.74 . 1 70 102 26 THR N N 114.12 . 1 71 103 27 VAL H H 7.85 . 1 72 103 27 VAL CA C 66.94 . 1 73 103 27 VAL CB C 31.43 . 1 74 103 27 VAL N N 123.72 . 1 75 104 28 LEU H H 8.51 . 1 76 104 28 LEU CA C 58.30 . 1 77 104 28 LEU CB C 41.38 . 1 78 104 28 LEU N N 120.48 . 1 79 105 29 GLN H H 8.66 . 1 80 105 29 GLN CA C 59.82 . 1 81 105 29 GLN CB C 29.47 . 1 82 105 29 GLN N N 117.86 . 1 83 106 30 SER H H 7.88 . 1 84 106 30 SER CA C 61.87 . 1 85 106 30 SER CB C 63.24 . 1 86 106 30 SER N N 114.89 . 1 87 107 31 CYS H H 8.19 . 1 88 107 31 CYS CA C 63.14 . 1 89 107 31 CYS CB C 26.98 . 1 90 107 31 CYS N N 120.59 . 1 91 108 32 LEU H H 8.44 . 1 92 108 32 LEU CA C 58.16 . 1 93 108 32 LEU CB C 40.73 . 1 94 108 32 LEU N N 120.94 . 1 95 109 33 ARG H H 7.95 . 1 96 109 33 ARG CA C 59.46 . 1 97 109 33 ARG CB C 29.99 . 1 98 109 33 ARG N N 119.92 . 1 99 110 34 GLU H H 8.02 . 1 100 110 34 GLU CA C 58.75 . 1 101 110 34 GLU CB C 29.54 . 1 102 110 34 GLU N N 119.85 . 1 103 111 35 SER H H 7.56 . 1 104 111 35 SER CA C 58.77 . 1 105 111 35 SER CB C 64.43 . 1 106 111 35 SER N N 114.10 . 1 107 112 36 ALA H H 8.03 . 1 108 112 36 ALA CA C 53.21 . 1 109 112 36 ALA CB C 17.01 . 1 110 112 36 ALA N N 121.32 . 1 111 113 37 ILE H H 7.88 . 1 112 113 37 ILE CA C 60.74 . 1 113 113 37 ILE CB C 39.47 . 1 114 113 37 ILE N N 118.91 . 1 115 114 38 SER H H 8.32 . 1 116 114 38 SER CA C 56.99 . 1 117 114 38 SER CB C 63.81 . 1 118 114 38 SER N N 121.26 . 1 119 115 39 LEU H H 8.53 . 1 120 115 39 LEU CA C 52.02 . 1 121 115 39 LEU CB C 44.23 . 1 122 115 39 LEU N N 126.12 . 1 123 116 40 PRO CA C 62.54 . 1 124 116 40 PRO CB C 32.55 . 1 125 117 41 ASP H H 8.83 . 1 126 117 41 ASP CA C 58.38 . 1 127 117 41 ASP CB C 40.42 . 1 128 117 41 ASP N N 124.14 . 1 129 118 42 GLU H H 9.25 . 1 130 118 42 GLU CA C 59.67 . 1 131 118 42 GLU CB C 28.83 . 1 132 118 42 GLU N N 117.12 . 1 133 119 43 LYS H H 7.09 . 1 134 119 43 LYS CA C 57.56 . 1 135 119 43 LYS CB C 32.11 . 1 136 119 43 LYS N N 118.51 . 1 137 120 44 LEU H H 8.01 . 1 138 120 44 LEU CA C 58.27 . 1 139 120 44 LEU CB C 40.88 . 1 140 120 44 LEU N N 122.59 . 1 141 121 45 ASP H H 8.68 . 1 142 121 45 ASP CA C 58.30 . 1 143 121 45 ASP CB C 40.01 . 1 144 121 45 ASP N N 122.76 . 1 145 122 46 GLN H H 7.45 . 1 146 122 46 GLN CA C 59.46 . 1 147 122 46 GLN CB C 28.26 . 1 148 122 46 GLN N N 119.06 . 1 149 123 47 LEU H H 8.29 . 1 150 123 47 LEU CA C 58.22 . 1 151 123 47 LEU CB C 42.62 . 1 152 123 47 LEU N N 121.55 . 1 153 125 49 LEU H H 7.68 . 1 154 125 49 LEU CA C 58.24 . 1 155 125 49 LEU CB C 41.54 . 1 156 125 49 LEU N N 120.43 . 1 157 126 50 ALA H H 7.83 . 1 158 126 50 ALA CA C 55.12 . 1 159 126 50 ALA CB C 18.28 . 1 160 126 50 ALA N N 121.11 . 1 161 127 51 LEU H H 8.30 . 1 162 127 51 LEU CA C 58.20 . 1 163 127 51 LEU CB C 41.38 . 1 164 127 51 LEU N N 119.97 . 1 165 128 52 PHE H H 8.68 . 1 166 128 52 PHE CA C 62.57 . 1 167 128 52 PHE CB C 39.49 . 1 168 128 52 PHE N N 120.41 . 1 169 129 53 GLU H H 8.09 . 1 170 129 53 GLU CA C 59.40 . 1 171 129 53 GLU CB C 29.51 . 1 172 129 53 GLU N N 115.08 . 1 173 130 54 SER H H 7.36 . 1 174 130 54 SER CA C 60.69 . 1 175 130 54 SER CB C 63.21 . 1 176 130 54 SER N N 111.02 . 1 177 131 55 ALA H H 8.02 . 1 178 131 55 ALA CA C 52.62 . 1 179 131 55 ALA CB C 18.95 . 1 180 131 55 ALA N N 119.22 . 1 181 132 56 ASP H H 7.77 . 1 182 132 56 ASP CA C 53.10 . 1 183 132 56 ASP CB C 38.32 . 1 184 132 56 ASP N N 116.32 . 1 185 133 57 ALA H H 7.93 . 1 186 133 57 ALA CA C 55.19 . 1 187 133 57 ALA CB C 19.43 . 1 188 133 57 ALA N N 131.12 . 1 189 134 58 ASP H H 7.99 . 1 190 134 58 ASP CA C 52.74 . 1 191 134 58 ASP CB C 39.49 . 1 192 134 58 ASP N N 112.83 . 1 193 135 59 GLY H H 7.77 . 1 194 135 59 GLY CA C 47.21 . 1 195 135 59 GLY N N 108.91 . 1 196 136 60 ASN H H 8.10 . 1 197 136 60 ASN CA C 52.69 . 1 198 136 60 ASN CB C 38.19 . 1 199 136 60 ASN N N 118.61 . 1 200 137 61 GLY H H 10.78 . 1 201 137 61 GLY CA C 45.86 . 1 202 137 61 GLY N N 113.69 . 1 203 138 62 ALA H H 7.67 . 1 204 138 62 ALA CA C 51.31 . 1 205 138 62 ALA CB C 22.48 . 1 206 138 62 ALA N N 122.03 . 1 207 139 63 ILE H H 9.34 . 1 208 139 63 ILE CA C 59.62 . 1 209 139 63 ILE CB C 38.75 . 1 210 139 63 ILE N N 125.89 . 1 211 140 64 THR H H 9.16 . 1 212 140 64 THR CA C 61.11 . 1 213 140 64 THR CB C 71.11 . 1 214 140 64 THR N N 120.12 . 1 215 141 65 PHE H H 9.00 . 1 216 141 65 PHE CA C 62.45 . 1 217 141 65 PHE CB C 38.26 . 1 218 141 65 PHE N N 122.10 . 1 219 142 66 GLU H H 8.80 . 1 220 142 66 GLU CA C 61.05 . 1 221 142 66 GLU CB C 28.35 . 1 222 142 66 GLU N N 117.09 . 1 223 143 67 GLU H H 7.36 . 1 224 143 67 GLU CA C 58.69 . 1 225 143 67 GLU CB C 29.74 . 1 226 143 67 GLU N N 117.73 . 1 227 144 68 LEU H H 8.25 . 1 228 144 68 LEU CA C 58.14 . 1 229 144 68 LEU CB C 41.28 . 1 230 144 68 LEU N N 121.65 . 1 231 149 73 GLN CA C 58.19 . 1 232 149 73 GLN CB C 28.29 . 1 233 150 74 ARG H H 7.55 . 1 234 150 74 ARG CA C 57.55 . 1 235 150 74 ARG CB C 31.27 . 1 236 150 74 ARG N N 117.35 . 1 237 156 80 GLU CA C 58.80 . 1 238 156 80 GLU CB C 29.52 . 1 239 157 81 ASN H H 7.88 . 1 240 157 81 ASN CA C 54.46 . 1 241 157 81 ASN CB C 38.88 . 1 242 157 81 ASN N N 116.31 . 1 243 158 82 LEU H H 7.77 . 1 244 158 82 LEU CA C 55.78 . 1 245 158 82 LEU CB C 42.53 . 1 246 158 82 LEU N N 119.97 . 1 247 159 83 THR H H 7.88 . 1 248 159 83 THR CB C 69.56 . 1 249 159 83 THR N N 113.12 . 1 250 160 84 ILE H H 7.85 . 1 251 160 84 ILE CA C 61.81 . 1 252 160 84 ILE CB C 38.80 . 1 253 160 84 ILE N N 122.05 . 1 254 161 85 SER H H 8.17 . 1 255 161 85 SER CA C 58.65 . 1 256 161 85 SER CB C 63.82 . 1 257 161 85 SER N N 118.76 . 1 258 162 86 ALA H H 8.13 . 1 259 162 86 ALA CA C 52.62 . 1 260 162 86 ALA CB C 19.43 . 1 261 162 86 ALA N N 125.52 . 1 262 163 87 ALA H H 7.99 . 1 263 163 87 ALA CA C 52.51 . 1 264 163 87 ALA CB C 19.40 . 1 265 163 87 ALA N N 123.10 . 1 266 164 88 ALA H H 7.71 . 1 267 164 88 ALA CA C 53.84 . 1 268 164 88 ALA CB C 20.13 . 1 269 164 88 ALA N N 128.82 . 1 stop_ save_