data_15959 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H and 15N Chemical Shift Assignments for the Phosphotyrosine Binding Domain of Insulin Receptor Substrate 1 in the Apo and Phosphopeptide Bound Forms ; _BMRB_accession_number 15959 _BMRB_flat_file_name bmr15959.str _Entry_type original _Submission_date 2008-09-18 _Accession_date 2008-09-18 _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 Stone Martin J. . 2 Jarymowycz Virginia A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 107 "15N chemical shifts" 107 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-03-03 update BMRB 'complete entry citation' 2008-10-03 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 7429 'Bound Form' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Remote Changes in Dynamics of the Phosphotyrosine-Binding Domain of Insulin Receptor Substrate-1 Induced by Phosphopeptide Binding' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19053277 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Stone Martin J. . 2 Jarymowycz Virginia A. . stop_ _Journal_abbreviation Biochemistry _Journal_volume 47 _Journal_issue 50 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 13371 _Page_last 13382 _Year 2008 _Details . loop_ _Keyword 'insulin receptor substrate-1' IRS-1 'phosphotyrosine binding domain' 'PTB domain' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Phosphotyrosine-Binding Domain of Insulin Receptor Substrate-1 Monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Monomer $Phosphotyrosine-Binding_Domain_of_Insulin_Receptor_Substrate-1 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_Phosphotyrosine-Binding_Domain_of_Insulin_Receptor_Substrate-1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Phosphotyrosine-Binding_Domain_of_Insulin_Receptor_Substrate-1 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 111 _Mol_residue_sequence ; GPAFKEVWQVILKPKGLGQT KNLIGIYRLCLTSKTISFVK LNSEAAAVVLQLMNIRRCGH SENFFFIEVGRSAVTGPGEF WMQVDDSVVAQNMHETILEA MRAMSDEFRPR ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 157 GLY 2 158 PRO 3 159 ALA 4 160 PHE 5 161 LYS 6 162 GLU 7 163 VAL 8 164 TRP 9 165 GLN 10 166 VAL 11 167 ILE 12 168 LEU 13 169 LYS 14 170 PRO 15 171 LYS 16 172 GLY 17 173 LEU 18 174 GLY 19 175 GLN 20 176 THR 21 177 LYS 22 178 ASN 23 179 LEU 24 180 ILE 25 181 GLY 26 182 ILE 27 183 TYR 28 184 ARG 29 185 LEU 30 186 CYS 31 187 LEU 32 188 THR 33 189 SER 34 190 LYS 35 191 THR 36 192 ILE 37 193 SER 38 194 PHE 39 195 VAL 40 196 LYS 41 197 LEU 42 198 ASN 43 199 SER 44 200 GLU 45 201 ALA 46 202 ALA 47 203 ALA 48 204 VAL 49 205 VAL 50 206 LEU 51 207 GLN 52 208 LEU 53 209 MET 54 210 ASN 55 211 ILE 56 212 ARG 57 213 ARG 58 214 CYS 59 215 GLY 60 216 HIS 61 217 SER 62 218 GLU 63 219 ASN 64 220 PHE 65 221 PHE 66 222 PHE 67 223 ILE 68 224 GLU 69 225 VAL 70 226 GLY 71 227 ARG 72 228 SER 73 229 ALA 74 230 VAL 75 231 THR 76 232 GLY 77 233 PRO 78 234 GLY 79 235 GLU 80 236 PHE 81 237 TRP 82 238 MET 83 239 GLN 84 240 VAL 85 241 ASP 86 242 ASP 87 243 SER 88 244 VAL 89 245 VAL 90 246 ALA 91 247 GLN 92 248 ASN 93 249 MET 94 250 HIS 95 251 GLU 96 252 THR 97 253 ILE 98 254 LEU 99 255 GLU 100 256 ALA 101 257 MET 102 258 ARG 103 259 ALA 104 260 MET 105 261 SER 106 262 ASP 107 263 GLU 108 264 PHE 109 265 ARG 110 266 PRO 111 267 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-05 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 PDB 1IRS "Irs-1 Ptb Domain Complexed With A Il-4 Receptor Phosphopeptide, Nmr, Minimized Average Structure" 100.00 112 100.00 100.00 4.49e-76 PDB 1QQG "Crystal Structure Of The Ph-Ptb Targeting Region Of Irs-1" 100.00 264 100.00 100.00 2.04e-74 DBJ BAA11026 "IRS-1(COS) [Chlorocebus aethiops]" 100.00 1251 100.00 100.00 1.64e-70 DBJ BAC32308 "unnamed protein product [Mus musculus]" 100.00 1231 100.00 100.00 1.47e-70 DBJ BAE24991 "unnamed protein product [Mus musculus]" 100.00 1231 100.00 100.00 1.47e-70 DBJ BAG10207 "insulin receptor substrate 1 [synthetic construct]" 100.00 1242 100.00 100.00 1.57e-70 EMBL CAA41264 "IRS-1 [Rattus norvegicus]" 100.00 1235 100.00 100.00 1.51e-70 EMBL CAA49378 "insulin receptor substrate 1 [Mus musculus]" 100.00 1231 100.00 100.00 1.47e-70 GB AAA39335 "insulin receptor substrate-1 [Mus musculus]" 100.00 1233 100.00 100.00 1.49e-70 GB AAB21608 "hIRS-1 [Homo sapiens]" 100.00 1243 100.00 100.00 1.57e-70 GB AAB27175 "insulin receptor substrate-1 [Homo sapiens]" 100.00 1242 100.00 100.00 1.57e-70 GB AAH53895 "Insulin receptor substrate 1 [Homo sapiens]" 100.00 1242 100.00 100.00 1.57e-70 GB AAI56077 "Insulin receptor substrate 1, partial [synthetic construct]" 100.00 1231 100.00 100.00 1.47e-70 PRF 1712323A "insulin receptor" 100.00 1235 100.00 100.00 1.51e-70 REF NP_001231418 "insulin receptor substrate 1 [Sus scrofa]" 100.00 1241 100.00 100.00 1.56e-70 REF NP_005535 "insulin receptor substrate 1 [Homo sapiens]" 100.00 1242 100.00 100.00 1.57e-70 REF NP_034700 "insulin receptor substrate 1 [Mus musculus]" 100.00 1231 100.00 100.00 1.47e-70 REF NP_037101 "insulin receptor substrate 1 [Rattus norvegicus]" 100.00 1235 100.00 100.00 1.51e-70 REF XP_001109882 "PREDICTED: insulin receptor substrate 1-like [Macaca mulatta]" 100.00 1252 100.00 100.00 1.65e-70 SP P35568 "RecName: Full=Insulin receptor substrate 1; Short=IRS-1" 100.00 1242 100.00 100.00 1.57e-70 SP P35569 "RecName: Full=Insulin receptor substrate 1; Short=IRS-1" 100.00 1233 100.00 100.00 1.49e-70 SP P35570 "RecName: Full=Insulin receptor substrate 1; Short=IRS-1; AltName: Full=pp185" 100.00 1235 100.00 100.00 1.51e-70 SP Q28224 "RecName: Full=Insulin receptor substrate 1; Short=IRS-1" 100.00 1251 100.00 100.00 1.64e-70 TPG DAA32358 "TPA: insulin receptor substrate 1 [Bos taurus]" 100.00 1237 100.00 100.00 1.52e-70 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Phosphotyrosine-Binding_Domain_of_Insulin_Receptor_Substrate-1 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 $Phosphotyrosine-Binding_Domain_of_Insulin_Receptor_Substrate-1 'recombinant technology' 'E. coli' Escherichia coli . pET30a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_PTB_Domain_of_IRS-1_Apo_State _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Phosphotyrosine-Binding_Domain_of_Insulin_Receptor_Substrate-1 200 uM '[U-95% 13C]' stop_ save_ ############################ # Computer software used # ############################ save_Felix _Saveframe_category software _Name FELIX _Version . loop_ _Vendor _Address _Electronic_address 'Accelrys Software Inc.' . . 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_3D_HNCACB_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $PTB_Domain_of_IRS-1_Apo_State save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $PTB_Domain_of_IRS-1_Apo_State save_ ####################### # Sample conditions # ####################### save_PTB_Domain_of_IRS-1_Apo_Sample_Conditions _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 6.5 . pH pressure 1 . atm temperature 303 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 H 1 'methyl protons' ppm 0 external direct . . . 1.0 DSS N 15 'methyl protons' ppm 0 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_PTB_Domain_of_IRS-1_Apo _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCACB' '3D CBCA(CO)NH' stop_ loop_ _Sample_label $PTB_Domain_of_IRS-1_Apo_State stop_ _Sample_conditions_label $PTB_Domain_of_IRS-1_Apo_Sample_Conditions _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name Monomer _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 1 159 3 ALA H H 8.179 0.002 1 2 159 3 ALA N N 123.613 0.059 1 3 160 4 PHE H H 7.804 0.002 1 4 160 4 PHE N N 118.541 0.059 1 5 161 5 LYS H H 8.55 0.002 1 6 161 5 LYS N N 123.975 0.059 1 7 162 6 GLU H H 7.607 0.002 1 8 162 6 GLU N N 117.885 0.059 1 9 163 7 VAL H H 7.759 0.002 1 10 163 7 VAL N N 120.318 0.059 1 11 164 8 TRP H H 8.892 0.002 1 12 164 8 TRP HE1 H 10.018 0.002 1 13 164 8 TRP N N 125.174 0.059 1 14 164 8 TRP NE1 N 129.384 0.059 1 15 165 9 GLN H H 9.058 0.002 1 16 165 9 GLN N N 123.97 0.059 1 17 166 10 VAL H H 9.348 0.002 1 18 166 10 VAL N N 119.364 0.059 1 19 167 11 ILE H H 8.636 0.002 1 20 167 11 ILE N N 119.718 0.059 1 21 168 12 LEU H H 9.494 0.002 1 22 168 12 LEU N N 130.652 0.059 1 23 169 13 LYS H H 8.699 0.002 1 24 169 13 LYS N N 123.202 0.059 1 25 171 15 LYS H H 8.029 0.002 1 26 171 15 LYS N N 122.251 0.059 1 27 173 17 LEU H H 9.252 0.002 1 28 173 17 LEU N N 126.934 0.059 1 29 174 18 GLY H H 7.938 0.002 1 30 174 18 GLY N N 106.005 0.059 1 31 175 19 GLN H H 7.271 0.002 1 32 175 19 GLN N N 117.67 0.059 1 33 176 20 THR H H 7.969 0.002 1 34 176 20 THR N N 112.794 0.059 1 35 177 21 LYS H H 8.276 0.002 1 36 177 21 LYS N N 116.624 0.059 1 37 178 22 ASN H H 7.567 0.002 1 38 178 22 ASN N N 117.852 0.059 1 39 179 23 LEU H H 8.642 0.002 1 40 179 23 LEU N N 123.604 0.059 1 41 180 24 ILE H H 7.237 0.002 1 42 180 24 ILE N N 115.524 0.059 1 43 181 25 GLY H H 8.537 0.002 1 44 181 25 GLY N N 113.168 0.059 1 45 182 26 ILE H H 8.397 0.002 1 46 182 26 ILE N N 121.667 0.059 1 47 183 27 TYR H H 9.287 0.002 1 48 183 27 TYR N N 127.822 0.059 1 49 184 28 ARG H H 9.452 0.002 1 50 184 28 ARG N N 118.435 0.059 1 51 185 29 LEU H H 9.576 0.002 1 52 185 29 LEU N N 128.382 0.059 1 53 186 30 CYS H H 8.912 0.002 1 54 186 30 CYS N N 123.848 0.059 1 55 187 31 LEU H H 9.15 0.002 1 56 187 31 LEU N N 130.955 0.059 1 57 188 32 THR H H 8.986 0.002 1 58 188 32 THR N N 118.286 0.059 1 59 189 33 SER H H 8.495 0.002 1 60 189 33 SER N N 109.742 0.059 1 61 190 34 LYS H H 7.798 0.002 1 62 190 34 LYS N N 114.06 0.059 1 63 191 35 THR H H 7.834 0.002 1 64 191 35 THR N N 110.301 0.059 1 65 192 36 ILE H H 8.922 0.002 1 66 192 36 ILE N N 116.76 0.059 1 67 193 37 SER H H 8.69 0.002 1 68 193 37 SER N N 118.785 0.059 1 69 194 38 PHE H H 8.396 0.002 1 70 194 38 PHE N N 120.802 0.059 1 71 195 39 VAL H H 9.413 0.002 1 72 195 39 VAL N N 125.345 0.059 1 73 196 40 LYS H H 9.547 0.002 1 74 196 40 LYS N N 131.757 0.059 1 75 197 41 LEU H H 7.874 0.002 1 76 197 41 LEU N N 123.385 0.059 1 77 198 42 ASN H H 8.585 0.002 1 78 198 42 ASN N N 116.187 0.059 1 79 199 43 SER H H 7.718 0.002 1 80 199 43 SER N N 113.398 0.059 1 81 200 44 GLU H H 8.449 0.002 1 82 200 44 GLU N N 120.642 0.059 1 83 201 45 ALA H H 7.985 0.002 1 84 201 45 ALA N N 122.779 0.059 1 85 202 46 ALA H H 8.681 0.002 1 86 202 46 ALA N N 124.236 0.059 1 87 203 47 ALA H H 9.014 0.002 1 88 203 47 ALA N N 126.724 0.059 1 89 204 48 VAL H H 7.387 0.002 1 90 204 48 VAL N N 114.025 0.059 1 91 205 49 VAL H H 8.387 0.002 1 92 205 49 VAL N N 128.12 0.059 1 93 206 50 LEU H H 9.406 0.002 1 94 206 50 LEU N N 126.589 0.059 1 95 207 51 GLN H H 9.045 0.002 1 96 207 51 GLN N N 122.492 0.059 1 97 208 52 LEU H H 8.436 0.002 1 98 208 52 LEU N N 125.392 0.059 1 99 209 53 MET H H 8.339 0.002 1 100 209 53 MET N N 112.983 0.059 1 101 210 54 ASN H H 7.828 0.002 1 102 210 54 ASN N N 114.818 0.059 1 103 211 55 ILE H H 7.603 0.002 1 104 211 55 ILE N N 121.36 0.059 1 105 212 56 ARG H H 9.131 0.002 1 106 212 56 ARG N N 127.36 0.059 1 107 213 57 ARG H H 7.743 0.002 1 108 213 57 ARG N N 114.41 0.059 1 109 214 58 CYS H H 8.527 0.002 1 110 214 58 CYS N N 116.469 0.059 1 111 215 59 GLY H H 6.809 0.002 1 112 215 59 GLY N N 105.402 0.059 1 113 216 60 HIS H H 8.05 0.002 1 114 216 60 HIS N N 112.735 0.059 1 115 217 61 SER H H 8.778 0.002 1 116 217 61 SER N N 116.413 0.059 1 117 218 62 GLU H H 9.45 0.002 1 118 218 62 GLU N N 125.555 0.059 1 119 219 63 ASN H H 8.517 0.002 1 120 219 63 ASN N N 118.443 0.059 1 121 220 64 PHE H H 8.654 0.002 1 122 220 64 PHE N N 117.229 0.059 1 123 221 65 PHE H H 9.398 0.002 1 124 221 65 PHE N N 122.995 0.059 1 125 222 66 PHE H H 7.578 0.002 1 126 222 66 PHE N N 124.054 0.059 1 127 223 67 ILE H H 8.059 0.002 1 128 223 67 ILE N N 113.358 0.059 1 129 224 68 GLU H H 9.023 0.002 1 130 224 68 GLU N N 125.851 0.059 1 131 225 69 VAL H H 9.556 0.002 1 132 225 69 VAL N N 122.536 0.059 1 133 226 70 GLY H H 8.586 0.002 1 134 226 70 GLY N N 109.678 0.059 1 135 227 71 ARG H H 8.424 0.002 1 136 227 71 ARG N N 115.394 0.059 1 137 228 72 SER H H 8.294 0.002 1 138 228 72 SER N N 112.781 0.059 1 139 229 73 ALA H H 7.439 0.002 1 140 229 73 ALA N N 122.552 0.059 1 141 230 74 VAL H H 8.912 0.002 1 142 230 74 VAL N N 122.138 0.059 1 143 231 75 THR H H 6.917 0.002 1 144 231 75 THR N N 106.727 0.059 1 145 232 76 GLY H H 7.67 0.002 1 146 232 76 GLY N N 109.422 0.059 1 147 234 78 GLY H H 7.808 0.002 1 148 234 78 GLY N N 106.689 0.059 1 149 235 79 GLU H H 8.621 0.002 1 150 235 79 GLU N N 116.816 0.059 1 151 236 80 PHE H H 9.016 0.002 1 152 236 80 PHE N N 118.286 0.059 1 153 237 81 TRP H H 10.235 0.002 1 154 237 81 TRP HE1 H 10.647 0.002 1 155 237 81 TRP N N 123.144 0.059 1 156 237 81 TRP NE1 N 132.12 0.059 1 157 238 82 MET H H 9.454 0.002 1 158 238 82 MET N N 119.719 0.059 1 159 239 83 GLN H H 9.536 0.002 1 160 239 83 GLN N N 124.017 0.059 1 161 240 84 VAL H H 8.633 0.002 1 162 240 84 VAL N N 118.979 0.059 1 163 241 85 ASP H H 8.52 0.002 1 164 241 85 ASP N N 116.981 0.059 1 165 242 86 ASP H H 7.212 0.002 1 166 242 86 ASP N N 109.534 0.059 1 167 243 87 SER H H 8.626 0.002 1 168 243 87 SER N N 114.253 0.059 1 169 244 88 VAL H H 8.209 0.002 1 170 244 88 VAL N N 127.138 0.059 1 171 245 89 VAL H H 8.461 0.002 1 172 245 89 VAL N N 122.099 0.059 1 173 246 90 ALA H H 7.258 0.002 1 174 246 90 ALA N N 120.439 0.059 1 175 247 91 GLN H H 7.54 0.002 1 176 247 91 GLN N N 116.622 0.059 1 177 248 92 ASN H H 8.269 0.002 1 178 248 92 ASN N N 119.592 0.059 1 179 249 93 MET H H 8.538 0.002 1 180 249 93 MET N N 122.987 0.059 1 181 250 94 HIS H H 7.229 0.002 1 182 250 94 HIS N N 117.95 0.059 1 183 251 95 GLU H H 8.355 0.002 1 184 251 95 GLU N N 116.508 0.059 1 185 252 96 THR H H 8.317 0.002 1 186 252 96 THR N N 116.36 0.059 1 187 253 97 ILE H H 8.52 0.002 1 188 253 97 ILE N N 123.979 0.059 1 189 254 98 LEU H H 8.305 0.002 1 190 254 98 LEU N N 120.653 0.059 1 191 255 99 GLU H H 7.782 0.002 1 192 255 99 GLU N N 119.008 0.059 1 193 256 100 ALA H H 7.836 0.002 1 194 256 100 ALA N N 123.078 0.059 1 195 257 101 MET H H 8.582 0.002 1 196 257 101 MET N N 118.495 0.059 1 197 258 102 ARG H H 8.327 0.002 1 198 258 102 ARG N N 120.858 0.059 1 199 259 103 ALA H H 7.939 0.002 1 200 259 103 ALA N N 120.655 0.059 1 201 260 104 MET H H 7.489 0.002 1 202 260 104 MET N N 116.248 0.059 1 203 261 105 SER H H 7.925 0.002 1 204 261 105 SER N N 114.858 0.059 1 205 262 106 ASP H H 8.281 0.002 1 206 262 106 ASP N N 122.616 0.059 1 207 263 107 GLU H H 8.11 0.002 1 208 263 107 GLU N N 119.925 0.059 1 209 264 108 PHE H H 7.977 0.002 1 210 264 108 PHE N N 119.13 0.059 1 211 265 109 ARG H H 7.743 0.002 1 212 265 109 ARG N N 123.803 0.059 1 213 267 111 ARG H H 7.994 0.002 1 214 267 111 ARG N N 126.676 0.059 1 stop_ save_