data_27425 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1/loop partially truncated Phosphomimetic Bcl-2 mutant ; _BMRB_accession_number 27425 _BMRB_flat_file_name bmr27425.str _Entry_type original _Submission_date 2018-03-14 _Accession_date 2018-03-14 _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 Song Ting . . 2 Xue Zhenyu . . 3 Zhang Zhichao . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 78 "13C chemical shifts" 83 "15N chemical shifts" 78 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-11-11 update BMRB 'update entry citation' 2019-03-29 original author 'original release' stop_ _Original_release_date 2018-03-14 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Expression and solution NMR study of multi-site phosphomimetic mutant BCL-2 protein. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30919764 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Song Ting . . 2 Cao Keke . . 3 Fan Yudan . . 4 Zhang Zhichao . . 5 Guo Zongwei . . 6 Zhang Minhang . . 7 Liu Peng . . stop_ _Journal_abbreviation 'Protein Pept. Lett.' _Journal_name_full 'Protein and peptide letters' _Journal_volume 26 _Journal_issue 6 _Journal_ISSN 1875-5305 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 449 _Page_last 457 _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name EEE-Bcl-2 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label EEE-Bcl-2 $EEE-Bcl-2 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_EEE-Bcl-2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common EEE-Bcl-2 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 207 _Mol_residue_sequence ; MAHAGRTGYDNREIVMKYIH YKLSQRGYEWDAGDVGAAPP GAAPAPGIFSSQPGHTPHPA ASRDPVARTSPLQTPAAPGA AAGPALSPVPPVVHLTLRQA GDDFSRRYRRDFAEMSSQLH LTPFTARGRFATVVEELFRD GVNWGRIVAFFEFGGVMCVE SVNREMSPLVDNIALWMTEY LNRHLHTWIQDNGGWDAFVE LYGPSMR ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 HIS 4 ALA 5 GLY 6 ARG 7 THR 8 GLY 9 TYR 10 ASP 11 ASN 12 ARG 13 GLU 14 ILE 15 VAL 16 MET 17 LYS 18 TYR 19 ILE 20 HIS 21 TYR 22 LYS 23 LEU 24 SER 25 GLN 26 ARG 27 GLY 28 TYR 29 GLU 30 TRP 31 ASP 32 ALA 33 GLY 34 ASP 35 VAL 36 GLY 37 ALA 38 ALA 39 PRO 40 PRO 41 GLY 42 ALA 43 ALA 44 PRO 45 ALA 46 PRO 47 GLY 48 ILE 49 PHE 50 SER 51 SER 52 GLN 53 PRO 54 GLY 55 HIS 56 THR 57 PRO 58 HIS 59 PRO 60 ALA 61 ALA 62 SER 63 ARG 64 ASP 65 PRO 66 VAL 67 ALA 68 ARG 69 THR 70 SER 71 PRO 72 LEU 73 GLN 74 THR 75 PRO 76 ALA 77 ALA 78 PRO 79 GLY 80 ALA 81 ALA 82 ALA 83 GLY 84 PRO 85 ALA 86 LEU 87 SER 88 PRO 89 VAL 90 PRO 91 PRO 92 VAL 93 VAL 94 HIS 95 LEU 96 THR 97 LEU 98 ARG 99 GLN 100 ALA 101 GLY 102 ASP 103 ASP 104 PHE 105 SER 106 ARG 107 ARG 108 TYR 109 ARG 110 ARG 111 ASP 112 PHE 113 ALA 114 GLU 115 MET 116 SER 117 SER 118 GLN 119 LEU 120 HIS 121 LEU 122 THR 123 PRO 124 PHE 125 THR 126 ALA 127 ARG 128 GLY 129 ARG 130 PHE 131 ALA 132 THR 133 VAL 134 VAL 135 GLU 136 GLU 137 LEU 138 PHE 139 ARG 140 ASP 141 GLY 142 VAL 143 ASN 144 TRP 145 GLY 146 ARG 147 ILE 148 VAL 149 ALA 150 PHE 151 PHE 152 GLU 153 PHE 154 GLY 155 GLY 156 VAL 157 MET 158 CYS 159 VAL 160 GLU 161 SER 162 VAL 163 ASN 164 ARG 165 GLU 166 MET 167 SER 168 PRO 169 LEU 170 VAL 171 ASP 172 ASN 173 ILE 174 ALA 175 LEU 176 TRP 177 MET 178 THR 179 GLU 180 TYR 181 LEU 182 ASN 183 ARG 184 HIS 185 LEU 186 HIS 187 THR 188 TRP 189 ILE 190 GLN 191 ASP 192 ASN 193 GLY 194 GLY 195 TRP 196 ASP 197 ALA 198 PHE 199 VAL 200 GLU 201 LEU 202 TYR 203 GLY 204 PRO 205 SER 206 MET 207 ARG 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 $EEE-Bcl-2 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 $EEE-Bcl-2 'recombinant technology' . Escherichia coli . PET-28a 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 $EEE-Bcl-2 0.5 mM '[U-100% 13C; U-100% 15N]' Tris 20 mM 'natural abundance' Nacl 150 mM 'natural abundance' DTT-d6 5 mM 'natural abundance' NaN3 0.02 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ 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 'NMRPipe: a multidimensional spectral processing system based on UNIX pipes' save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ 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 DRX _Field_strength 800 _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_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HCACO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details '20 mM Tris, 150 mM Nacl, 5mM DTT-d6, 0.02% NaN3 and 90% H20/10% D2O' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.17 . M pH 7.8 . 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 carbons' ppm 0 internal direct . . . 1.0 DSS H 1 'methyl protons' ppm 0 internal direct . . . 1.0 DSS N 15 nitrogen ppm 0 internal direct . . . 1.0 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 HNCA' '3D HNCO' '3D HN(CO)CA' '3D HCACO' 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 EEE-Bcl-2 _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 96 96 THR H H 8.038 0.001 1 2 96 96 THR CA C 63.204 0.031 1 3 96 96 THR N N 117.213 0.059 1 4 97 97 LEU H H 8.502 0.001 1 5 97 97 LEU CA C 52.242 0.021 1 6 97 97 LEU N N 124.938 0.03 1 7 98 98 ARG H H 8.16 0.002 1 8 98 98 ARG N N 117.458 0.011 1 9 99 99 GLN H H 7.662 0.001 1 10 99 99 GLN CA C 62.977 0.012 1 11 99 99 GLN N N 119.721 0.056 1 12 100 100 ALA H H 8.332 0.001 1 13 100 100 ALA CA C 52.142 0.05 1 14 100 100 ALA N N 124.583 0.034 1 15 101 101 GLY CA C 45.14 0.022 1 16 102 102 ASP H H 7.984 0.003 1 17 102 102 ASP CA C 52.103 0.031 1 18 102 102 ASP N N 123.507 0.012 1 19 103 103 ASP H H 8.256 0.001 1 20 103 103 ASP CA C 50.33 0.013 1 21 103 103 ASP N N 124.854 0.034 1 22 105 105 SER H H 8.837 0.002 1 23 105 105 SER CA C 52.277 0.045 1 24 105 105 SER N N 112.68 0.045 1 25 106 106 ARG H H 7.554 0.001 1 26 106 106 ARG N N 124.079 0.056 1 27 107 107 ARG H H 8.152 0.001 1 28 107 107 ARG CA C 56.262 0.055 1 29 107 107 ARG N N 118.386 0.062 1 30 108 108 TYR H H 6.926 0.002 1 31 108 108 TYR CA C 53.438 0.004 1 32 108 108 TYR N N 114.444 0.076 1 33 109 109 ARG H H 7.791 0.001 1 34 109 109 ARG CA C 57.614 0.031 1 35 109 109 ARG N N 125.935 0.063 1 36 113 113 ALA H H 8.184 0.001 1 37 113 113 ALA CA C 52.291 0.01 1 38 113 113 ALA N N 122.517 0.067 1 39 118 118 GLN H H 8.285 0.001 1 40 118 118 GLN CA C 54.461 0.022 1 41 118 118 GLN N N 120.002 0.087 1 42 119 119 LEU H H 8.251 0.001 1 43 119 119 LEU CA C 52.313 0.031 1 44 119 119 LEU N N 121.873 0.069 1 45 120 120 HIS H H 7.979 0.002 1 46 120 120 HIS N N 123.295 0.087 1 47 121 121 LEU H H 8.401 0.001 1 48 121 121 LEU CA C 54.248 0.015 1 49 121 121 LEU N N 123.863 0.02 1 50 125 125 THR CA C 57.72 0.007 1 51 126 126 ALA H H 8.057 0.002 1 52 126 126 ALA CA C 56.491 0.024 1 53 126 126 ALA N N 122.311 0.042 1 54 127 127 ARG H H 8.178 0.001 1 55 127 127 ARG CA C 52.794 0.044 1 56 127 127 ARG N N 124.81 0.065 1 57 128 128 GLY H H 8.399 0.002 1 58 128 128 GLY CA C 45.295 0.03 1 59 128 128 GLY N N 108.135 0.024 1 60 129 129 ARG H H 8.114 0.001 1 61 129 129 ARG CA C 54.175 0.056 1 62 129 129 ARG N N 120.62 0.012 1 63 130 130 PHE H H 8.083 0.003 1 64 130 130 PHE CA C 62.786 0.032 1 65 130 130 PHE N N 120.117 0.021 1 66 135 135 GLU CA C 57.227 0.023 1 67 136 136 GLU H H 8.157 0.001 1 68 136 136 GLU CA C 54.372 0.002 1 69 136 136 GLU N N 121.642 0.035 1 70 137 137 LEU H H 8.115 0.002 1 71 137 137 LEU CA C 50.328 0.016 1 72 137 137 LEU N N 123.777 0.055 1 73 138 138 PHE H H 7.236 0.001 1 74 138 138 PHE CA C 50.063 0.02 1 75 138 138 PHE N N 110.637 0.021 1 76 139 139 ARG H H 7.686 0.001 1 77 139 139 ARG CA C 59.076 0.031 1 78 139 139 ARG N N 126.013 0.013 1 79 140 140 ASP H H 8.603 0.002 1 80 140 140 ASP CA C 52.53 0.011 1 81 140 140 ASP N N 117.122 0.036 1 82 141 141 GLY H H 8.051 0.001 1 83 141 141 GLY CA C 45.282 0.032 1 84 141 141 GLY N N 107.095 0.021 1 85 142 142 VAL H H 7.901 0.001 1 86 142 142 VAL CA C 52.05 0.052 1 87 142 142 VAL N N 123.387 0.011 1 88 143 143 ASN H H 8.162 0.002 1 89 143 143 ASN CA C 50.328 0.011 1 90 143 143 ASN N N 124.781 0.024 1 91 144 144 TRP H H 8.603 0.001 1 92 144 144 TRP CA C 63.298 0.023 1 93 144 144 TRP N N 117.122 0.059 1 94 145 145 GLY H H 8.346 0.002 1 95 145 145 GLY CA C 45.312 0.027 1 96 145 145 GLY N N 108.836 0.062 1 97 146 146 ARG H H 7.816 0.001 1 98 146 146 ARG CA C 61.226 0.031 1 99 146 146 ARG N N 119.562 0.026 1 100 147 147 ILE H H 8.314 0.003 1 101 147 147 ILE CA C 57.538 0.032 1 102 147 147 ILE N N 123.811 0.023 1 103 148 148 VAL CA C 60.187 0.033 1 104 149 149 ALA H H 7.977 0.001 1 105 149 149 ALA CA C 49.579 0.008 1 106 149 149 ALA N N 123.23 0.045 1 107 150 150 PHE H H 8.374 0.001 1 108 150 150 PHE CA C 52.644 0.009 1 109 150 150 PHE N N 123.545 0.027 1 110 151 151 PHE H H 7.855 0.002 1 111 151 151 PHE CA C 57.299 0.061 1 112 151 151 PHE N N 125.659 0.072 1 113 152 152 GLU H H 7.98 0.001 1 114 152 152 GLU CA C 53.975 0.007 1 115 152 152 GLU N N 122.681 0.013 1 116 153 153 PHE H H 8.017 0.001 1 117 153 153 PHE CA C 52.891 0.011 1 118 153 153 PHE N N 124.802 0.031 1 119 154 154 GLY H H 8.297 0.002 1 120 154 154 GLY CA C 45.331 0.041 1 121 154 154 GLY N N 107.146 0.003 1 122 155 155 GLY H H 8.408 0.001 1 123 155 155 GLY CA C 45.278 0.026 1 124 155 155 GLY N N 111.68 0.01 1 125 156 156 VAL H H 7.778 0.001 1 126 156 156 VAL CA C 61.14 0.033 1 127 156 156 VAL N N 119.611 0.009 1 128 158 158 CYS CA C 63.368 0.039 1 129 159 159 VAL H H 8.109 0.002 1 130 159 159 VAL CA C 62.172 0.049 1 131 159 159 VAL N N 119.566 0.073 1 132 160 160 GLU H H 8.389 0.001 1 133 160 160 GLU CA C 60.538 0.03 1 134 160 160 GLU N N 122.819 0.024 1 135 164 164 ARG H H 8.222 0.001 1 136 164 164 ARG CA C 55.647 0.02 1 137 164 164 ARG N N 120.38 0.037 1 138 165 165 GLU H H 8.029 0.003 1 139 165 165 GLU CA C 58.65 0.007 1 140 165 165 GLU N N 116.529 0.047 1 141 166 166 MET H H 8.026 0.001 1 142 166 166 MET CA C 54.034 0.021 1 143 166 166 MET N N 120.419 0.022 1 144 167 167 SER H H 8.011 0.001 1 145 167 167 SER CA C 62.811 0.005 1 146 167 167 SER N N 120.156 0.031 1 147 168 168 PRO CA C 63.321 0.055 1 148 169 169 LEU H H 7.913 0.001 1 149 169 169 LEU CA C 46.083 0.045 1 150 169 169 LEU N N 115.24 0.032 1 151 172 172 ASN CA C 56.112 0.006 1 152 173 173 ILE H H 7.826 0.002 1 153 173 173 ILE CA C 63.267 0.008 1 154 173 173 ILE N N 120.658 0.046 1 155 174 174 ALA H H 7.856 0.002 1 156 174 174 ALA CA C 59.21 0.038 1 157 174 174 ALA N N 119.972 0.024 1 158 175 175 LEU H H 8.296 0.001 1 159 175 175 LEU CA C 53.562 0.042 1 160 175 175 LEU N N 122.706 0.02 1 161 176 176 TRP H H 8.367 0.003 1 162 176 176 TRP CA C 55.517 0.011 1 163 176 176 TRP N N 121.544 0.031 1 164 177 177 MET H H 8.216 0.001 1 165 177 177 MET CA C 59.84 0.02 1 166 177 177 MET N N 118.467 0.014 1 167 179 179 GLU H H 7.73 0.002 1 168 179 179 GLU CA C 57.458 0.034 1 169 179 179 GLU N N 125.295 0.057 1 170 180 180 TYR H H 7.811 0.001 1 171 180 180 TYR CA C 60.024 0.023 1 172 180 180 TYR N N 122.696 0.042 1 173 181 181 LEU H H 8.187 0.001 1 174 181 181 LEU CA C 56.092 0.022 1 175 181 181 LEU N N 120.141 0.066 1 176 182 182 ASN CA C 56.342 0.033 1 177 183 183 ARG H H 8.059 0.002 1 178 183 183 ARG CA C 54.003 0.01 1 179 183 183 ARG N N 121.122 0.031 1 180 184 184 HIS H H 7.963 0.001 1 181 184 184 HIS CA C 54.811 0.024 1 182 184 184 HIS N N 110.817 0.052 1 183 185 185 LEU H H 8.25 0.003 1 184 185 185 LEU CA C 54.259 0.012 1 185 185 185 LEU N N 123.236 0.032 1 186 186 186 HIS H H 7.81 0.001 1 187 186 186 HIS N N 123.603 0.065 1 188 187 187 THR H H 7.952 0.001 1 189 187 187 THR CA C 61.761 0.011 1 190 187 187 THR N N 112.976 0.033 1 191 188 188 TRP H H 7.947 0.001 1 192 188 188 TRP CA C 58.189 0.032 1 193 188 188 TRP N N 128.101 0.043 1 194 189 189 ILE H H 8.843 0.002 1 195 189 189 ILE CA C 65.012 0.012 1 196 189 189 ILE N N 121.017 0.031 1 197 191 191 ASP H H 7.835 0.001 1 198 191 191 ASP CA C 53.728 0.034 1 199 191 191 ASP N N 120.308 0.068 1 200 192 192 ASN H H 7.3 0.001 1 201 192 192 ASN CA C 52.369 0.023 1 202 192 192 ASN N N 124.79 0.009 1 203 193 193 GLY H H 8.112 0.002 1 204 193 193 GLY CA C 44.486 0.03 1 205 193 193 GLY N N 108.276 0.022 1 206 194 194 GLY CA C 44.835 0.019 1 207 195 195 TRP H H 8.043 0.001 1 208 195 195 TRP CA C 56.042 0.046 1 209 195 195 TRP N N 118.8 0.065 1 210 196 196 ASP H H 7.788 0.001 1 211 196 196 ASP CA C 52.07 0.012 1 212 196 196 ASP N N 117.978 0.052 1 213 197 197 ALA H H 8.196 0.001 1 214 197 197 ALA CA C 50.344 0.031 1 215 197 197 ALA N N 124.799 0.081 1 216 198 198 PHE H H 7.749 0.003 1 217 198 198 PHE CA C 52.237 0.031 1 218 198 198 PHE N N 123.998 0.05 1 219 199 199 VAL H H 8.173 0.002 1 220 199 199 VAL CA C 54.71 0.005 1 221 199 199 VAL N N 121.84 0.031 1 222 200 200 GLU H H 8.273 0.001 1 223 200 200 GLU CA C 54.362 0.008 1 224 200 200 GLU N N 121.451 0.025 1 225 201 201 LEU H H 7.977 0.001 1 226 201 201 LEU CA C 57.559 0.052 1 227 201 201 LEU N N 126.101 0.036 1 228 202 202 TYR H H 8.292 0.002 1 229 202 202 TYR CA C 62.061 0.027 1 230 202 202 TYR N N 115.534 0.009 1 231 203 203 GLY H H 8.356 0.001 1 232 203 203 GLY CA C 44.849 0.032 1 233 203 203 GLY N N 110.38 0.076 1 234 205 205 SER H H 7.924 0.003 1 235 205 205 SER CA C 57.05 0.021 1 236 205 205 SER N N 114.589 0.036 1 237 206 206 MET H H 8.189 0.001 1 238 206 206 MET CA C 59.827 0.03 1 239 206 206 MET N N 122.163 0.031 1 stop_ save_