data_15234 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N backbone chemical shift assignment of D122Y mutant of the C terminal domain of human frataxin ; _BMRB_accession_number 15234 _BMRB_flat_file_name bmr15234.str _Entry_type original _Submission_date 2007-05-04 _Accession_date 2007-05-04 _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 Pastore Chiara . . 2 Pastore Annalisa . . 3 Correia Ana R. . 4 Gomes Claudio M. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 106 "15N chemical shifts" 106 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-08-11 update BMRB 'completed entry citation' 2008-05-18 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 15233 hfraG130V 15235 hfraW155R 15236 CyaYG26KD27SD31K 15237 CyaYD31K 15244 CyaYE19KD22K stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Dynamics, stability and iron-binding activity of frataxin clinical mutants.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18537827 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Correia Ana R. . 2 Pastore Chiara . . 3 Adinolfi Salvatore . . 4 Pastore Annalisa . . 5 Gomes Claudio M. . stop_ _Journal_abbreviation 'FEBS J.' _Journal_name_full 'The FEBS journal' _Journal_volume 275 _Journal_issue 14 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 3680 _Page_last 3690 _Year 2008 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'D122Y mutant of the C terminal domain of human frataxin' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label hfraD122Y $hfraD122Y 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_hfraD122Y _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common hfraD122Y _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 123 _Mol_residue_sequence ; GAMDETTYERLAEETLDSLA EFFEDLADKPYTFEYYDVSF GSGVLTVKLGGDLGTYVINK QTPNKQIWLSSPSSGPKRYD WTGKNWVYSHDGVSLHELLA AELTKALKTKLDLSSLAYSG KDA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 88 GLY 2 89 ALA 3 90 MET 4 91 ASP 5 92 GLU 6 93 THR 7 94 THR 8 95 TYR 9 96 GLU 10 97 ARG 11 98 LEU 12 99 ALA 13 100 GLU 14 101 GLU 15 102 THR 16 103 LEU 17 104 ASP 18 105 SER 19 106 LEU 20 107 ALA 21 108 GLU 22 109 PHE 23 110 PHE 24 111 GLU 25 112 ASP 26 113 LEU 27 114 ALA 28 115 ASP 29 116 LYS 30 117 PRO 31 118 TYR 32 119 THR 33 120 PHE 34 121 GLU 35 122 TYR 36 123 TYR 37 124 ASP 38 125 VAL 39 126 SER 40 127 PHE 41 128 GLY 42 129 SER 43 130 GLY 44 131 VAL 45 132 LEU 46 133 THR 47 134 VAL 48 135 LYS 49 136 LEU 50 137 GLY 51 138 GLY 52 139 ASP 53 140 LEU 54 141 GLY 55 142 THR 56 143 TYR 57 144 VAL 58 145 ILE 59 146 ASN 60 147 LYS 61 148 GLN 62 149 THR 63 150 PRO 64 151 ASN 65 152 LYS 66 153 GLN 67 154 ILE 68 155 TRP 69 156 LEU 70 157 SER 71 158 SER 72 159 PRO 73 160 SER 74 161 SER 75 162 GLY 76 163 PRO 77 164 LYS 78 165 ARG 79 166 TYR 80 167 ASP 81 168 TRP 82 169 THR 83 170 GLY 84 171 LYS 85 172 ASN 86 173 TRP 87 174 VAL 88 175 TYR 89 176 SER 90 177 HIS 91 178 ASP 92 179 GLY 93 180 VAL 94 181 SER 95 182 LEU 96 183 HIS 97 184 GLU 98 185 LEU 99 186 LEU 100 187 ALA 101 188 ALA 102 189 GLU 103 190 LEU 104 191 THR 105 192 LYS 106 193 ALA 107 194 LEU 108 195 LYS 109 196 THR 110 197 LYS 111 198 LEU 112 199 ASP 113 200 LEU 114 201 SER 115 202 SER 116 203 LEU 117 204 ALA 118 205 TYR 119 206 SER 120 207 GLY 121 208 LYS 122 209 ASP 123 210 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-31 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 BMRB 15233 hfraG130V 100.00 123 98.37 98.37 1.51e-79 BMRB 15235 hfraW155R 100.00 123 98.37 98.37 2.10e-79 BMRB 15736 Full-length_Human_frataxin 100.00 187 97.56 99.19 1.24e-79 BMRB 15906 Frataxin 98.37 121 99.17 99.17 3.25e-79 BMRB 16581 Frataxin 98.37 121 99.17 99.17 3.25e-79 BMRB 4342 Frataxin 98.37 122 99.17 99.17 3.79e-79 PDB 1EKG "Mature Human Frataxin" 100.00 127 97.56 99.19 1.19e-79 PDB 1LY7 "The Solution Structure Of The The C-Terminal Domain Of Frataxin, The Protein Responsible For Friedreich Ataxia" 97.56 121 99.17 99.17 3.47e-78 PDB 3S4M "Crystal Structure Of Wild-Type Human Frataxin" 100.00 129 97.56 99.19 2.94e-79 GB AAH23633 "Frataxin [Homo sapiens]" 100.00 210 97.56 99.19 1.67e-79 GB AAH48097 "Frataxin [Homo sapiens]" 100.00 210 97.56 99.19 1.67e-79 GB ADQ32463 "frataxin [synthetic construct]" 100.00 210 97.56 99.19 1.67e-79 GB AIC54401 "FXN, partial [synthetic construct]" 100.00 210 97.56 99.19 1.67e-79 GB AIC62492 "FXN, partial [synthetic construct]" 100.00 210 97.56 99.19 1.67e-79 REF NP_000135 "frataxin, mitochondrial isoform 1 preproprotein [Homo sapiens]" 100.00 210 97.56 99.19 1.67e-79 REF XP_001137864 "PREDICTED: frataxin, mitochondrial [Pan troglodytes]" 94.31 238 98.28 98.28 9.67e-74 REF XP_003824802 "PREDICTED: frataxin, mitochondrial isoform X1 [Pan paniscus]" 100.00 210 97.56 99.19 1.75e-79 REF XP_004048150 "PREDICTED: frataxin, mitochondrial isoform 1 [Gorilla gorilla gorilla]" 100.00 210 97.56 99.19 1.87e-79 REF XP_010344443 "PREDICTED: frataxin, mitochondrial [Saimiri boliviensis boliviensis]" 100.00 173 97.56 99.19 6.47e-80 SP Q16595 "RecName: Full=Frataxin, mitochondrial; AltName: Full=Friedreich ataxia protein; Short=Fxn; Contains: RecName: Full=Frataxin int" 100.00 210 97.56 99.19 1.67e-79 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $hfraD122Y 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 $hfraD122Y 'recombinant technology' . Escherichia coli . pET 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 $hfraD122Y 0.5 mM '[U-98% 15N]' NaP 20 mM . NaCl 50 mM . DTT 2 mM . stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'chemical shift assignment' 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_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing 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_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details '0.5 mM sample, in 20mM NaP, 50 mM NaCl, 2mM DTT, pH 7' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.0 . pH 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 water H 1 protons ppm 4.773 internal direct . . . 1.00 water N 15 protons ppm 0.00 . 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 1H-15N NOESY' 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 hfraD122Y _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 91 4 ASP H H 7.942 0.001 1 2 91 4 ASP N N 122.049 0.08 1 3 92 5 GLU H H 8.865 0.001 1 4 92 5 GLU N N 120.333 0.08 1 5 93 6 THR H H 8.188 0.001 1 6 93 6 THR N N 114.766 0.08 1 7 94 7 THR H H 8.192 0.001 1 8 94 7 THR N N 120.224 0.08 1 9 95 8 TYR H H 8.103 0.001 1 10 95 8 TYR N N 120.528 0.08 1 11 96 9 GLU H H 8.351 0.001 1 12 96 9 GLU N N 118.203 0.08 1 13 97 10 ARG H H 7.310 0.001 1 14 97 10 ARG N N 117.598 0.08 1 15 98 11 LEU H H 7.884 0.001 1 16 98 11 LEU N N 119.083 0.08 1 17 99 12 ALA H H 9.146 0.001 1 18 99 12 ALA N N 124.143 0.08 1 19 100 13 GLU H H 8.082 0.001 1 20 100 13 GLU N N 118.067 0.08 1 21 101 14 GLU H H 8.366 0.001 1 22 101 14 GLU N N 117.951 0.08 1 23 102 15 THR H H 8.147 0.001 1 24 102 15 THR N N 115.880 0.08 1 25 103 16 LEU H H 8.424 0.001 1 26 103 16 LEU N N 122.930 0.08 1 27 104 17 ASP H H 8.971 0.001 1 28 104 17 ASP N N 120.450 0.08 1 29 105 18 SER H H 7.221 0.001 1 30 105 18 SER N N 112.247 0.08 1 31 106 19 LEU H H 7.491 0.001 1 32 106 19 LEU N N 119.239 0.08 1 33 107 20 ALA H H 8.855 0.001 1 34 107 20 ALA N N 122.481 0.08 1 35 108 21 GLU H H 7.737 0.001 1 36 108 21 GLU N N 117.501 0.08 1 37 109 22 PHE H H 7.624 0.001 1 38 109 22 PHE N N 120.899 0.08 1 39 110 23 PHE H H 8.705 0.001 1 40 110 23 PHE N N 116.817 0.08 1 41 111 24 GLU H H 9.172 0.001 1 42 111 24 GLU N N 124.555 0.08 1 43 112 25 ASP H H 7.771 0.001 1 44 112 25 ASP N N 120.255 0.08 1 45 113 26 LEU H H 7.224 0.001 1 46 113 26 LEU N N 116.036 0.08 1 47 114 27 ALA H H 7.252 0.001 1 48 114 27 ALA N N 120.430 0.08 1 49 116 29 LYS H H 6.992 0.001 1 50 116 29 LYS N N 118.536 0.08 1 51 118 31 TYR H H 5.956 0.001 1 52 118 31 TYR N N 110.899 0.08 1 53 119 32 THR H H 6.876 0.001 1 54 119 32 THR N N 113.165 0.08 1 55 120 33 PHE H H 8.507 0.001 1 56 120 33 PHE N N 123.621 0.08 1 57 122 35 TYR H H 7.908 0.001 1 58 122 35 TYR N N 115.860 0.08 1 59 123 36 TYR H H 7.368 0.001 1 60 123 36 TYR N N 122.247 0.08 1 61 124 37 ASP H H 8.472 0.001 1 62 124 37 ASP N N 128.341 0.08 1 63 125 38 VAL H H 8.223 0.001 1 64 125 38 VAL N N 124.708 0.08 1 65 126 39 SER H H 8.838 0.001 1 66 126 39 SER N N 121.446 0.08 1 67 127 40 PHE H H 8.999 0.001 1 68 127 40 PHE N N 126.583 0.08 1 69 128 41 GLY H H 8.096 0.001 1 70 128 41 GLY N N 115.059 0.08 1 71 130 43 GLY H H 8.677 0.001 1 72 130 43 GLY N N 106.114 0.08 1 73 131 44 VAL H H 7.655 0.001 1 74 131 44 VAL N N 118.907 0.08 1 75 132 45 LEU H H 9.580 0.001 1 76 132 45 LEU N N 133.106 0.08 1 77 133 46 THR H H 9.198 0.001 1 78 133 46 THR N N 124.225 0.08 1 79 134 47 VAL H H 9.132 0.001 1 80 134 47 VAL N N 127.989 0.08 1 81 135 48 LYS H H 8.906 0.001 1 82 135 48 LYS N N 129.180 0.08 1 83 136 49 LEU H H 8.031 0.001 1 84 136 49 LEU N N 119.825 0.08 1 85 137 50 GLY H H 7.631 0.001 1 86 137 50 GLY N N 103.946 0.08 1 87 140 53 LEU H H 8.370 0.001 1 88 140 53 LEU N N 122.227 0.08 1 89 141 54 GLY H H 7.788 0.001 1 90 141 54 GLY N N 103.712 0.08 1 91 142 55 THR H H 7.867 0.001 1 92 142 55 THR N N 114.845 0.08 1 93 143 56 TYR H H 9.293 0.001 1 94 143 56 TYR N N 125.098 0.08 1 95 144 57 VAL H H 7.873 0.001 1 96 144 57 VAL N N 118.989 0.08 1 97 145 58 ILE H H 9.679 0.001 1 98 145 58 ILE N N 130.802 0.08 1 99 146 59 ASN H H 9.587 0.001 1 100 146 59 ASN N N 121.456 0.08 1 101 147 60 LYS H H 8.435 0.001 1 102 147 60 LYS N N 121.173 0.08 1 103 148 61 GLN H H 7.771 0.001 1 104 148 61 GLN N N 129.545 0.08 1 105 151 64 ASN H H 6.999 0.001 1 106 151 64 ASN N N 110.723 0.08 1 107 152 65 LYS H H 7.885 0.001 1 108 152 65 LYS N N 117.418 0.08 1 109 153 66 GLN H H 7.101 0.001 1 110 153 66 GLN N N 111.739 0.08 1 111 155 68 TRP H H 9.477 0.001 1 112 155 68 TRP HE1 H 10.428 0.001 1 113 155 68 TRP N N 130.743 0.08 1 114 155 68 TRP NE1 N 126.837 0.08 1 115 156 69 LEU H H 8.681 0.001 1 116 156 69 LEU N N 122.989 0.08 1 117 157 70 SER H H 9.245 0.001 1 118 157 70 SER N N 120.938 0.08 1 119 158 71 SER H H 7.518 0.001 1 120 158 71 SER N N 120.645 0.08 1 121 160 73 SER H H 7.788 0.001 1 122 160 73 SER N N 112.677 0.08 1 123 161 74 SER H H 8.059 0.001 1 124 161 74 SER N N 113.487 0.08 1 125 164 77 LYS H H 9.047 0.001 1 126 164 77 LYS N N 121.876 0.08 1 127 165 78 ARG H H 6.318 0.001 1 128 165 78 ARG N N 119.434 0.08 1 129 166 79 TYR H H 9.563 0.001 1 130 166 79 TYR N N 121.602 0.08 1 131 167 80 ASP H H 8.793 0.001 1 132 167 80 ASP N N 121.038 0.08 1 133 168 81 TRP H H 9.224 0.001 1 134 168 81 TRP HE1 H 10.011 0.001 1 135 168 81 TRP N N 122.423 0.08 1 136 168 81 TRP NE1 N 127.950 0.08 1 137 170 83 GLY H H 8.339 0.001 1 138 170 83 GLY N N 116.798 0.08 1 139 171 84 LYS H H 6.691 0.001 1 140 171 84 LYS N N 115.098 0.08 1 141 172 85 ASN H H 6.578 0.001 1 142 172 85 ASN N N 115.821 0.08 1 143 173 86 TRP H H 8.992 0.001 1 144 173 86 TRP HE1 H 9.891 0.001 1 145 173 86 TRP N N 119.688 0.08 1 146 173 86 TRP NE1 N 129.786 0.08 1 147 174 87 VAL H H 9.546 0.001 1 148 174 87 VAL N N 121.659 0.08 1 149 175 88 TYR H H 7.898 0.001 1 150 175 88 TYR N N 130.841 0.08 1 151 176 89 SER H H 9.402 0.001 1 152 176 89 SER N N 126.837 0.08 1 153 178 91 ASP H H 6.715 0.001 1 154 178 91 ASP N N 112.813 0.08 1 155 179 92 GLY H H 8.629 0.001 1 156 179 92 GLY N N 109.805 0.08 1 157 180 93 VAL H H 8.677 0.001 1 158 180 93 VAL N N 124.591 0.08 1 159 181 94 SER H H 9.214 0.001 1 160 181 94 SER N N 127.657 0.08 1 161 182 95 LEU H H 8.264 0.001 1 162 182 95 LEU N N 123.575 0.08 1 163 183 96 HIS H H 7.590 0.001 1 164 183 96 HIS N N 115.118 0.08 1 165 184 97 GLU H H 8.213 0.001 1 166 184 97 GLU N N 122.442 0.08 1 167 185 98 LEU H H 8.469 0.001 1 168 185 98 LEU N N 123.966 0.08 1 169 186 99 LEU H H 8.123 0.001 1 170 186 99 LEU N N 117.247 0.08 1 171 187 100 ALA H H 7.909 0.001 1 172 187 100 ALA N N 119.298 0.08 1 173 189 102 GLU H H 8.882 0.001 1 174 189 102 GLU N N 116.895 0.08 1 175 190 103 LEU H H 9.194 0.001 1 176 190 103 LEU N N 120.196 0.08 1 177 191 104 THR H H 7.898 0.001 1 178 191 104 THR N N 117.677 0.08 1 179 192 105 LYS H H 7.029 0.001 1 180 192 105 LYS N N 119.532 0.08 1 181 193 106 ALA H H 8.204 0.001 1 182 193 106 ALA N N 120.056 0.08 1 183 194 107 LEU H H 8.664 0.001 1 184 194 107 LEU N N 112.266 0.08 1 185 195 108 LYS H H 7.491 0.001 1 186 195 108 LYS N N 115.821 0.08 1 187 197 110 LYS H H 7.925 0.001 1 188 197 110 LYS N N 123.712 0.08 1 189 198 111 LEU H H 8.069 0.001 1 190 198 111 LEU N N 130.411 0.08 1 191 199 112 ASP H H 8.291 0.001 1 192 199 112 ASP N N 119.317 0.08 1 193 200 113 LEU H H 8.096 0.001 1 194 200 113 LEU N N 128.673 0.08 1 195 201 114 SER H H 8.308 0.001 1 196 201 114 SER N N 114.434 0.08 1 197 202 115 SER H H 8.247 0.001 1 198 202 115 SER N N 115.802 0.08 1 199 203 116 LEU H H 6.982 0.001 1 200 203 116 LEU N N 121.856 0.08 1 201 204 117 ALA H H 7.939 0.001 1 202 204 117 ALA N N 121.768 0.08 1 203 205 118 TYR H H 8.411 0.001 1 204 205 118 TYR N N 113.536 0.08 1 205 206 119 SER H H 7.467 0.001 1 206 206 119 SER N N 110.880 0.08 1 207 207 120 GLY H H 8.855 0.001 1 208 207 120 GLY N N 111.876 0.08 1 209 209 122 ASP H H 8.530 0.001 1 210 209 122 ASP N N 122.930 0.08 1 211 210 123 ALA H H 7.706 0.001 1 212 210 123 ALA N N 129.239 0.08 1 stop_ save_