data_7429 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7429 _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 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-09-18 _Entry.Accession_date 2008-09-18 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Martin Stone . J. . 7429 2 Virginia Jarymowycz . A. . 7429 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7429 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 98 7429 '1H chemical shifts' 98 7429 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2009-03-03 2008-09-18 update BMRB 'complete entry citation' 7429 1 . . 2008-10-03 2008-09-18 original author 'original release' 7429 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15959 'Apo Form' 7429 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7429 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19053277 _Citation.Full_citation . _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 _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 47 _Citation.Journal_issue 50 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 13371 _Citation.Page_last 13382 _Citation.Year 2008 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Martin Stone . J. . 7429 1 2 Virginia Jarymowycz . A. . 7429 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'insulin receptor substrate-1' 7429 1 IRS-1 7429 1 'phosphotyrosine binding domain' 7429 1 'PTB domain' 7429 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7429 _Assembly.ID 1 _Assembly.Name 'Phosphotyrosine-Binding Domain of Insulin Receptor Substrate-1 Monomer complex with Interleukin-4 Receptor Phosphopeptide' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Monomer 1 $Phosphotyrosine-Binding_Domain_of_Insulin_Receptor_Substrate-1 A . yes native no no . . . 7429 1 2 Peptide 2 $Interleukin-4_Receptor_Phosphopeptide B . no native no no . . . 7429 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Phosphotyrosine-Binding_Domain_of_Insulin_Receptor_Substrate-1 _Entity.Sf_category entity _Entity.Sf_framecode Phosphotyrosine-Binding_Domain_of_Insulin_Receptor_Substrate-1 _Entity.Entry_ID 7429 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Phosphotyrosine-Binding_Domain_of_Insulin_Receptor_Substrate-1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPAFKEVWQVILKPKGLGQT KNLIGIYRLCLTSKTISFVK LNSEAAAVVLQLMNIRRCGH SENFFFIEVGRSAVTGPGEF WMQVDDSVVAQNMHETILEA MRAMSDEFRPR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 111 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID no BMRB 15959 . Phosphotyrosine-Binding_Domain_of_Insulin_Receptor_Substrate-1 . . . . . 100.00 111 100.00 100.00 1.60e-59 . . . . 7429 1 no PDB 1IRS . "Irs-1 Ptb Domain Complexed With A Il-4 Receptor Phosphopeptide, Nmr, Minimized Average Structure" . . . . . 100.00 112 100.00 100.00 1.36e-59 . . . . 7429 1 no PDB 1QQG . "Crystal Structure Of The Ph-Ptb Targeting Region Of Irs-1" . . . . . 100.00 264 100.00 100.00 6.23e-60 . . . . 7429 1 no DBJ BAA11026 . "IRS-1(COS) [Chlorocebus aethiops]" . . . . . 100.00 1251 100.00 100.00 9.77e-62 . . . . 7429 1 no DBJ BAC32308 . "unnamed protein product [Mus musculus]" . . . . . 100.00 1231 100.00 100.00 9.77e-62 . . . . 7429 1 no DBJ BAE24991 . "unnamed protein product [Mus musculus]" . . . . . 100.00 1231 100.00 100.00 9.77e-62 . . . . 7429 1 no DBJ BAG10207 . "insulin receptor substrate 1 [synthetic construct]" . . . . . 100.00 1242 100.00 100.00 9.77e-62 . . . . 7429 1 no EMBL CAA41264 . "IRS-1 [Rattus norvegicus]" . . . . . 100.00 1235 100.00 100.00 9.77e-62 . . . . 7429 1 no EMBL CAA49378 . "insulin receptor substrate 1 [Mus musculus]" . . . . . 100.00 1231 100.00 100.00 9.77e-62 . . . . 7429 1 no GB AAA39335 . "insulin receptor substrate-1 [Mus musculus]" . . . . . 100.00 1233 100.00 100.00 9.77e-62 . . . . 7429 1 no GB AAB21608 . "hIRS-1 [Homo sapiens]" . . . . . 100.00 1243 100.00 100.00 9.77e-62 . . . . 7429 1 no GB AAB27175 . "insulin receptor substrate-1 [Homo sapiens]" . . . . . 100.00 1242 100.00 100.00 9.77e-62 . . . . 7429 1 no GB AAH53895 . "Insulin receptor substrate 1 [Homo sapiens]" . . . . . 100.00 1242 100.00 100.00 9.77e-62 . . . . 7429 1 no GB AAI56077 . "Insulin receptor substrate 1 [synthetic construct]" . . . . . 100.00 1231 100.00 100.00 9.77e-62 . . . . 7429 1 no PRF 1712323A . "insulin receptor" . . . . . 100.00 1235 100.00 100.00 9.77e-62 . . . . 7429 1 no REF NP_005535 . "insulin receptor substrate 1 [Homo sapiens]" . . . . . 100.00 1242 100.00 100.00 9.77e-62 . . . . 7429 1 no REF NP_034700 . "insulin receptor substrate 1 [Mus musculus]" . . . . . 100.00 1231 100.00 100.00 9.77e-62 . . . . 7429 1 no REF NP_037101 . "insulin receptor substrate 1 [Rattus norvegicus]" . . . . . 100.00 1235 100.00 100.00 9.77e-62 . . . . 7429 1 no REF XP_001109882 . "PREDICTED: insulin receptor substrate 1-like [Macaca mulatta]" . . . . . 100.00 1252 100.00 100.00 9.77e-62 . . . . 7429 1 no REF XP_001134743 . "PREDICTED: insulin receptor substrate 1 isoform 1 [Pan troglodytes]" . . . . . 100.00 1223 100.00 100.00 9.77e-62 . . . . 7429 1 no SP P35568 . "RecName: Full=Insulin receptor substrate 1; Short=IRS-1" . . . . . 100.00 1242 100.00 100.00 9.77e-62 . . . . 7429 1 no SP P35569 . "RecName: Full=Insulin receptor substrate 1; Short=IRS-1" . . . . . 100.00 1233 100.00 100.00 9.77e-62 . . . . 7429 1 no SP P35570 . "RecName: Full=Insulin receptor substrate 1; Short=IRS-1; AltName: Full=pp185" . . . . . 100.00 1235 100.00 100.00 9.77e-62 . . . . 7429 1 no SP Q28224 . "RecName: Full=Insulin receptor substrate 1; Short=IRS-1" . . . . . 100.00 1251 100.00 100.00 9.77e-62 . . . . 7429 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 157 GLY . 7429 1 2 158 PRO . 7429 1 3 159 ALA . 7429 1 4 160 PHE . 7429 1 5 161 LYS . 7429 1 6 162 GLU . 7429 1 7 163 VAL . 7429 1 8 164 TRP . 7429 1 9 165 GLN . 7429 1 10 166 VAL . 7429 1 11 167 ILE . 7429 1 12 168 LEU . 7429 1 13 169 LYS . 7429 1 14 170 PRO . 7429 1 15 171 LYS . 7429 1 16 172 GLY . 7429 1 17 173 LEU . 7429 1 18 174 GLY . 7429 1 19 175 GLN . 7429 1 20 176 THR . 7429 1 21 177 LYS . 7429 1 22 178 ASN . 7429 1 23 179 LEU . 7429 1 24 180 ILE . 7429 1 25 181 GLY . 7429 1 26 182 ILE . 7429 1 27 183 TYR . 7429 1 28 184 ARG . 7429 1 29 185 LEU . 7429 1 30 186 CYS . 7429 1 31 187 LEU . 7429 1 32 188 THR . 7429 1 33 189 SER . 7429 1 34 190 LYS . 7429 1 35 191 THR . 7429 1 36 192 ILE . 7429 1 37 193 SER . 7429 1 38 194 PHE . 7429 1 39 195 VAL . 7429 1 40 196 LYS . 7429 1 41 197 LEU . 7429 1 42 198 ASN . 7429 1 43 199 SER . 7429 1 44 200 GLU . 7429 1 45 201 ALA . 7429 1 46 202 ALA . 7429 1 47 203 ALA . 7429 1 48 204 VAL . 7429 1 49 205 VAL . 7429 1 50 206 LEU . 7429 1 51 207 GLN . 7429 1 52 208 LEU . 7429 1 53 209 MET . 7429 1 54 210 ASN . 7429 1 55 211 ILE . 7429 1 56 212 ARG . 7429 1 57 213 ARG . 7429 1 58 214 CYS . 7429 1 59 215 GLY . 7429 1 60 216 HIS . 7429 1 61 217 SER . 7429 1 62 218 GLU . 7429 1 63 219 ASN . 7429 1 64 220 PHE . 7429 1 65 221 PHE . 7429 1 66 222 PHE . 7429 1 67 223 ILE . 7429 1 68 224 GLU . 7429 1 69 225 VAL . 7429 1 70 226 GLY . 7429 1 71 227 ARG . 7429 1 72 228 SER . 7429 1 73 229 ALA . 7429 1 74 230 VAL . 7429 1 75 231 THR . 7429 1 76 232 GLY . 7429 1 77 233 PRO . 7429 1 78 234 GLY . 7429 1 79 235 GLU . 7429 1 80 236 PHE . 7429 1 81 237 TRP . 7429 1 82 238 MET . 7429 1 83 239 GLN . 7429 1 84 240 VAL . 7429 1 85 241 ASP . 7429 1 86 242 ASP . 7429 1 87 243 SER . 7429 1 88 244 VAL . 7429 1 89 245 VAL . 7429 1 90 246 ALA . 7429 1 91 247 GLN . 7429 1 92 248 ASN . 7429 1 93 249 MET . 7429 1 94 250 HIS . 7429 1 95 251 GLU . 7429 1 96 252 THR . 7429 1 97 253 ILE . 7429 1 98 254 LEU . 7429 1 99 255 GLU . 7429 1 100 256 ALA . 7429 1 101 257 MET . 7429 1 102 258 ARG . 7429 1 103 259 ALA . 7429 1 104 260 MET . 7429 1 105 261 SER . 7429 1 106 262 ASP . 7429 1 107 263 GLU . 7429 1 108 264 PHE . 7429 1 109 265 ARG . 7429 1 110 266 PRO . 7429 1 111 267 ARG . 7429 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 7429 1 . PRO 2 2 7429 1 . ALA 3 3 7429 1 . PHE 4 4 7429 1 . LYS 5 5 7429 1 . GLU 6 6 7429 1 . VAL 7 7 7429 1 . TRP 8 8 7429 1 . GLN 9 9 7429 1 . VAL 10 10 7429 1 . ILE 11 11 7429 1 . LEU 12 12 7429 1 . LYS 13 13 7429 1 . PRO 14 14 7429 1 . LYS 15 15 7429 1 . GLY 16 16 7429 1 . LEU 17 17 7429 1 . GLY 18 18 7429 1 . GLN 19 19 7429 1 . THR 20 20 7429 1 . LYS 21 21 7429 1 . ASN 22 22 7429 1 . LEU 23 23 7429 1 . ILE 24 24 7429 1 . GLY 25 25 7429 1 . ILE 26 26 7429 1 . TYR 27 27 7429 1 . ARG 28 28 7429 1 . LEU 29 29 7429 1 . CYS 30 30 7429 1 . LEU 31 31 7429 1 . THR 32 32 7429 1 . SER 33 33 7429 1 . LYS 34 34 7429 1 . THR 35 35 7429 1 . ILE 36 36 7429 1 . SER 37 37 7429 1 . PHE 38 38 7429 1 . VAL 39 39 7429 1 . LYS 40 40 7429 1 . LEU 41 41 7429 1 . ASN 42 42 7429 1 . SER 43 43 7429 1 . GLU 44 44 7429 1 . ALA 45 45 7429 1 . ALA 46 46 7429 1 . ALA 47 47 7429 1 . VAL 48 48 7429 1 . VAL 49 49 7429 1 . LEU 50 50 7429 1 . GLN 51 51 7429 1 . LEU 52 52 7429 1 . MET 53 53 7429 1 . ASN 54 54 7429 1 . ILE 55 55 7429 1 . ARG 56 56 7429 1 . ARG 57 57 7429 1 . CYS 58 58 7429 1 . GLY 59 59 7429 1 . HIS 60 60 7429 1 . SER 61 61 7429 1 . GLU 62 62 7429 1 . ASN 63 63 7429 1 . PHE 64 64 7429 1 . PHE 65 65 7429 1 . PHE 66 66 7429 1 . ILE 67 67 7429 1 . GLU 68 68 7429 1 . VAL 69 69 7429 1 . GLY 70 70 7429 1 . ARG 71 71 7429 1 . SER 72 72 7429 1 . ALA 73 73 7429 1 . VAL 74 74 7429 1 . THR 75 75 7429 1 . GLY 76 76 7429 1 . PRO 77 77 7429 1 . GLY 78 78 7429 1 . GLU 79 79 7429 1 . PHE 80 80 7429 1 . TRP 81 81 7429 1 . MET 82 82 7429 1 . GLN 83 83 7429 1 . VAL 84 84 7429 1 . ASP 85 85 7429 1 . ASP 86 86 7429 1 . SER 87 87 7429 1 . VAL 88 88 7429 1 . VAL 89 89 7429 1 . ALA 90 90 7429 1 . GLN 91 91 7429 1 . ASN 92 92 7429 1 . MET 93 93 7429 1 . HIS 94 94 7429 1 . GLU 95 95 7429 1 . THR 96 96 7429 1 . ILE 97 97 7429 1 . LEU 98 98 7429 1 . GLU 99 99 7429 1 . ALA 100 100 7429 1 . MET 101 101 7429 1 . ARG 102 102 7429 1 . ALA 103 103 7429 1 . MET 104 104 7429 1 . SER 105 105 7429 1 . ASP 106 106 7429 1 . GLU 107 107 7429 1 . PHE 108 108 7429 1 . ARG 109 109 7429 1 . PRO 110 110 7429 1 . ARG 111 111 7429 1 stop_ save_ save_Interleukin-4_Receptor_Phosphopeptide _Entity.Sf_category entity _Entity.Sf_framecode Interleukin-4_Receptor_Phosphopeptide _Entity.Entry_ID 7429 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name Interleukin-4_Receptor_Phosphopeptide _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code LVIAGNPAXRS _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID PTR _Entity.Nonpolymer_comp_label $chem_comp_PTR _Entity.Number_of_monomers 111 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . LEU . 7429 2 2 . VAL . 7429 2 3 . ILE . 7429 2 4 . ALA . 7429 2 5 . GLY . 7429 2 6 . ASN . 7429 2 7 . PRO . 7429 2 8 . ALA . 7429 2 9 . PTR . 7429 2 10 . ARG . 7429 2 11 . SER . 7429 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . LEU 1 1 7429 2 . VAL 2 2 7429 2 . ILE 3 3 7429 2 . ALA 4 4 7429 2 . GLY 5 5 7429 2 . ASN 6 6 7429 2 . PRO 7 7 7429 2 . ALA 8 8 7429 2 . PTR 9 9 7429 2 . ARG 10 10 7429 2 . SER 11 11 7429 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 7429 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Phosphotyrosine-Binding_Domain_of_Insulin_Receptor_Substrate-1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 7429 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 7429 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Phosphotyrosine-Binding_Domain_of_Insulin_Receptor_Substrate-1 . 'chemical synthesis' 'Escherichia coli' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . . . . pET30a . . . . . . 7429 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_PTR _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_PTR _Chem_comp.Entry_ID 7429 _Chem_comp.ID PTR _Chem_comp.Provenance . _Chem_comp.Name O-PHOSPHOTYROSINE _Chem_comp.Type 'L-peptide linking' _Chem_comp.BMRB_code . _Chem_comp.PDB_code PTR _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code PTR _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C9 H12 N O6 P' _Chem_comp.Formula_weight 261.168 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 20:35:21 2008 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID c1cc(ccc1CC(C(=O)O)N)OP(=O)(O)O SMILES 'OpenEye OEToolkits' 1.5.0 7429 PTR c1cc(ccc1C[C@@H](C(=O)O)N)OP(=O)(O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 7429 PTR InChI=1/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1 InChI InChI 1.01 7429 PTR N[C@@H](Cc1ccc(O[P](O)(O)=O)cc1)C(O)=O SMILES_CANONICAL CACTVS 3.341 7429 PTR N[CH](Cc1ccc(O[P](O)(O)=O)cc1)C(O)=O SMILES CACTVS 3.341 7429 PTR O=P(Oc1ccc(cc1)CC(C(=O)O)N)(O)O SMILES ACDLabs 10.04 7429 PTR stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '(2S)-2-amino-3-(4-phosphonooxyphenyl)propanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 7429 PTR O-phosphono-L-tyrosine 'SYSTEMATIC NAME' ACDLabs 10.04 7429 PTR stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C . C . . C . N . 0 . . . . . . . . . . . . . . . . . . . . . 7429 PTR CA . CA . . C . S . 0 . . . . . . . . . . . . . . . . . . . . . 7429 PTR CB . CB . . C . N . 0 . . . . . . . . . . . . . . . . . . . . . 7429 PTR CD1 . CD1 . . C . N . 0 . . . . . . . . . . . . . . . . . . . . . 7429 PTR CD2 . CD2 . . C . N . 0 . . . . . . . . . . . . . . . . . . . . . 7429 PTR CE1 . CE1 . . C . N . 0 . . . . . . . . . . . . . . . . . . . . . 7429 PTR CE2 . CE2 . . C . N . 0 . . . . . . . . . . . . . . . . . . . . . 7429 PTR CG . CG . . C . N . 0 . . . . . . . . . . . . . . . . . . . . . 7429 PTR CZ . CZ . . C . N . 0 . . . . . . . . . . . . . . . . . . . . . 7429 PTR H . H . . H . N . 0 . . . . . . . . . . . . . . . . . . . . . 7429 PTR HA . HA . . H . N . 0 . . . . . . . . . . . . . . . . . . . . . 7429 PTR HB2 . HB2 . . H . N . 0 . . . . . . . . . . . . . . . . . . . . . 7429 PTR HB3 . HB3 . . H . N . 0 . . . . . . . . . . . . . . . . . . . . . 7429 PTR HD1 . HD1 . . H . N . 0 . . . . . . . . . . . . . . . . . . . . . 7429 PTR HD2 . HD2 . . H . N . 0 . . . . . . . . . . . . . . . . . . . . . 7429 PTR HE1 . HE1 . . H . N . 0 . . . . . . . . . . . . . . . . . . . . . 7429 PTR HE2 . HE2 . . H . N . 0 . . . . . . . . . . . . . . . . . . . . . 7429 PTR HN2 . HN2 . . H . N . 0 . . . . . . . . . . . . . . . . . . . . . 7429 PTR HO2P . HO2P . . H . N . 0 . . . . . . . . . . . . . . . . . . . . . 7429 PTR HO3P . HO3P . . H . N . 0 . . . . . . . . . . . . . . . . . . . . . 7429 PTR HXT . HXT . . H . N . 0 . . . . . . . . . . . . . . . . . . . . . 7429 PTR N . N . . N . N . 0 . . . . . . . . . . . . . . . . . . . . . 7429 PTR O . O . . O . N . 0 . . . . . . . . . . . . . . . . . . . . . 7429 PTR O1P . O1P . . O . N . 0 . . . . . . . . . . . . . . . . . . . . . 7429 PTR O2P . O2P . . O . N . 0 . . . . . . . . . . . . . . . . . . . . . 7429 PTR O3P . O3P . . O . N . 0 . . . . . . . . . . . . . . . . . . . . . 7429 PTR OH . OH . . O . N . 0 . . . . . . . . . . . . . . . . . . . . . 7429 PTR OXT . OXT . . O . N . 0 . . . . . . . . . . . . . . . . . . . . . 7429 PTR P . P . . P . N . 0 . . . . . . . . . . . . . . . . . . . . . 7429 PTR stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N CA . . . . 7429 PTR 2 . SING N H . . . . 7429 PTR 3 . SING N HN2 . . . . 7429 PTR 4 . SING CA C . . . . 7429 PTR 5 . SING CA CB . . . . 7429 PTR 6 . SING CA HA . . . . 7429 PTR 7 . DOUB C O . . . . 7429 PTR 8 . SING C OXT . . . . 7429 PTR 9 . SING OXT HXT . . . . 7429 PTR 10 . SING CB CG . . . . 7429 PTR 11 . SING CB HB2 . . . . 7429 PTR 12 . SING CB HB3 . . . . 7429 PTR 13 . DOUB CG CD1 . . . . 7429 PTR 14 . SING CG CD2 . . . . 7429 PTR 15 . SING CD1 CE1 . . . . 7429 PTR 16 . SING CD1 HD1 . . . . 7429 PTR 17 . DOUB CD2 CE2 . . . . 7429 PTR 18 . SING CD2 HD2 . . . . 7429 PTR 19 . DOUB CE1 CZ . . . . 7429 PTR 20 . SING CE1 HE1 . . . . 7429 PTR 21 . SING CE2 CZ . . . . 7429 PTR 22 . SING CE2 HE2 . . . . 7429 PTR 23 . SING CZ OH . . . . 7429 PTR 24 . SING OH P . . . . 7429 PTR 25 . DOUB P O1P . . . . 7429 PTR 26 . SING P O2P . . . . 7429 PTR 27 . SING P O3P . . . . 7429 PTR 28 . SING O2P HO2P . . . . 7429 PTR 29 . SING O3P HO3P . . . . 7429 PTR stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_PTB_Domain_of_IRS-1_Bound_State _Sample.Sf_category sample _Sample.Sf_framecode PTB_Domain_of_IRS-1_Bound_State _Sample.Entry_ID 7429 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'A complex between IRS-PTB and the IL-4 receptor peptide was formed by addition of peptide under the same buffer conditions to the protein to obtain a stoichiometery of 1:1.5 (protein:peptide).' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Phosphotyrosine-Binding Domain of Insulin Receptor Substrate-1' [U-15N] . . . . . . 200 . . uM . . . . 7429 1 stop_ save_ ####################### # Sample conditions # ####################### save_PTB_Domain_of_IRS-1_Bound_Sample_Conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode PTB_Domain_of_IRS-1_Bound_Sample_Conditions _Sample_condition_list.Entry_ID 7429 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 7429 1 pH 6.5 . pH 7429 1 pressure 1 . atm 7429 1 temperature 303 . K 7429 1 stop_ save_ ############################ # Computer software used # ############################ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 7429 _Software.ID 1 _Software.Name FELIX _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 7429 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 7429 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 7429 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 7429 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 7429 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 7429 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCACB' no . . . . . . . . . . 1 $PTB_Domain_of_IRS-1_Bound_State isotropic . . 1 $PTB_Domain_of_IRS-1_Bound_Sample_Conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7429 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $PTB_Domain_of_IRS-1_Bound_State isotropic . . 1 $PTB_Domain_of_IRS-1_Bound_Sample_Conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7429 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 7429 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1.0 . . . . . . . . . 7429 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . . . . . . . 7429 1 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_Bound _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode PTB_Domain_of_IRS-1_Bound _Assigned_chem_shift_list.Entry_ID 7429 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $PTB_Domain_of_IRS-1_Bound_Sample_Conditions _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCACB' . . . 7429 1 2 '3D CBCA(CO)NH' . . . 7429 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 ALA H H 1 8.165 0.002 . 1 . . . . 159 ALA H . 7429 1 2 . 1 1 3 3 ALA N N 15 123.601 0.059 . 1 . . . . 159 ALA N . 7429 1 3 . 1 1 4 4 PHE H H 1 7.793 0.002 . 1 . . . . 160 PHE H . 7429 1 4 . 1 1 4 4 PHE N N 15 118.585 0.059 . 1 . . . . 160 PHE N . 7429 1 5 . 1 1 5 5 LYS H H 1 8.548 0.002 . 1 . . . . 161 LYS H . 7429 1 6 . 1 1 5 5 LYS N N 15 123.983 0.059 . 1 . . . . 161 LYS N . 7429 1 7 . 1 1 6 6 GLU H H 1 7.606 0.002 . 1 . . . . 162 GLU H . 7429 1 8 . 1 1 6 6 GLU N N 15 118.002 0.059 . 1 . . . . 162 GLU N . 7429 1 9 . 1 1 7 7 VAL H H 1 7.774 0.002 . 1 . . . . 163 VAL H . 7429 1 10 . 1 1 7 7 VAL N N 15 120.341 0.059 . 1 . . . . 163 VAL N . 7429 1 11 . 1 1 8 8 TRP H H 1 8.874 0.002 . 1 . . . . 164 TRP H . 7429 1 12 . 1 1 8 8 TRP HE1 H 1 9.988 0.002 . 1 . . . . 164 TRP HE1 . 7429 1 13 . 1 1 8 8 TRP N N 15 125.035 0.059 . 1 . . . . 164 TRP N . 7429 1 14 . 1 1 8 8 TRP NE1 N 15 129.178 0.059 . 1 . . . . 164 TRP NE1 . 7429 1 15 . 1 1 9 9 GLN H H 1 9.038 0.002 . 1 . . . . 165 GLN H . 7429 1 16 . 1 1 9 9 GLN N N 15 123.886 0.059 . 1 . . . . 165 GLN N . 7429 1 17 . 1 1 10 10 VAL H H 1 9.346 0.002 . 1 . . . . 166 VAL H . 7429 1 18 . 1 1 10 10 VAL N N 15 119.264 0.059 . 1 . . . . 166 VAL N . 7429 1 19 . 1 1 11 11 ILE H H 1 8.649 0.002 . 1 . . . . 167 ILE H . 7429 1 20 . 1 1 11 11 ILE N N 15 119.719 0.059 . 1 . . . . 167 ILE N . 7429 1 21 . 1 1 12 12 LEU H H 1 9.51 0.002 . 1 . . . . 168 LEU H . 7429 1 22 . 1 1 12 12 LEU N N 15 130.5 0.059 . 1 . . . . 168 LEU N . 7429 1 23 . 1 1 13 13 LYS H H 1 8.716 0.002 . 1 . . . . 169 LYS H . 7429 1 24 . 1 1 13 13 LYS N N 15 123.46 0.059 . 1 . . . . 169 LYS N . 7429 1 25 . 1 1 15 15 LYS H H 1 8.006 0.002 . 1 . . . . 171 LYS H . 7429 1 26 . 1 1 15 15 LYS N N 15 122.099 0.059 . 1 . . . . 171 LYS N . 7429 1 27 . 1 1 17 17 LEU H H 1 9.327 0.002 . 1 . . . . 173 LEU H . 7429 1 28 . 1 1 17 17 LEU N N 15 127.181 0.059 . 1 . . . . 173 LEU N . 7429 1 29 . 1 1 18 18 GLY H H 1 7.902 0.002 . 1 . . . . 174 GLY H . 7429 1 30 . 1 1 18 18 GLY N N 15 105.943 0.059 . 1 . . . . 174 GLY N . 7429 1 31 . 1 1 19 19 GLN H H 1 7.255 0.002 . 1 . . . . 175 GLN H . 7429 1 32 . 1 1 19 19 GLN N N 15 117.487 0.059 . 1 . . . . 175 GLN N . 7429 1 33 . 1 1 20 20 THR H H 1 7.967 0.002 . 1 . . . . 176 THR H . 7429 1 34 . 1 1 20 20 THR N N 15 112.516 0.059 . 1 . . . . 176 THR N . 7429 1 35 . 1 1 21 21 LYS H H 1 8.321 0.002 . 1 . . . . 177 LYS H . 7429 1 36 . 1 1 21 21 LYS N N 15 116.637 0.059 . 1 . . . . 177 LYS N . 7429 1 37 . 1 1 22 22 ASN H H 1 7.55 0.002 . 1 . . . . 178 ASN H . 7429 1 38 . 1 1 22 22 ASN N N 15 117.811 0.059 . 1 . . . . 178 ASN N . 7429 1 39 . 1 1 23 23 LEU H H 1 8.618 0.002 . 1 . . . . 179 LEU H . 7429 1 40 . 1 1 23 23 LEU N N 15 123.784 0.059 . 1 . . . . 179 LEU N . 7429 1 41 . 1 1 24 24 ILE H H 1 7.17 0.002 . 1 . . . . 180 ILE H . 7429 1 42 . 1 1 24 24 ILE N N 15 114.877 0.059 . 1 . . . . 180 ILE N . 7429 1 43 . 1 1 25 25 GLY H H 1 8.514 0.002 . 1 . . . . 181 GLY H . 7429 1 44 . 1 1 25 25 GLY N N 15 112.853 0.059 . 1 . . . . 181 GLY N . 7429 1 45 . 1 1 26 26 ILE H H 1 8.392 0.002 . 1 . . . . 182 ILE H . 7429 1 46 . 1 1 26 26 ILE N N 15 121.609 0.059 . 1 . . . . 182 ILE N . 7429 1 47 . 1 1 27 27 TYR H H 1 9.281 0.002 . 1 . . . . 183 TYR H . 7429 1 48 . 1 1 27 27 TYR N N 15 127.774 0.059 . 1 . . . . 183 TYR N . 7429 1 49 . 1 1 28 28 ARG H H 1 9.443 0.002 . 1 . . . . 184 ARG H . 7429 1 50 . 1 1 28 28 ARG N N 15 118.441 0.059 . 1 . . . . 184 ARG N . 7429 1 51 . 1 1 29 29 LEU H H 1 9.572 0.002 . 1 . . . . 185 LEU H . 7429 1 52 . 1 1 29 29 LEU N N 15 128.335 0.059 . 1 . . . . 185 LEU N . 7429 1 53 . 1 1 30 30 CYS H H 1 8.913 0.002 . 1 . . . . 186 CYS H . 7429 1 54 . 1 1 30 30 CYS N N 15 123.947 0.059 . 1 . . . . 186 CYS N . 7429 1 55 . 1 1 31 31 LEU H H 1 9.135 0.002 . 1 . . . . 187 LEU H . 7429 1 56 . 1 1 31 31 LEU N N 15 131.125 0.059 . 1 . . . . 187 LEU N . 7429 1 57 . 1 1 32 32 THR H H 1 8.983 0.002 . 1 . . . . 188 THR H . 7429 1 58 . 1 1 32 32 THR N N 15 118.289 0.059 . 1 . . . . 188 THR N . 7429 1 59 . 1 1 33 33 SER H H 1 8.479 0.002 . 1 . . . . 189 SER H . 7429 1 60 . 1 1 33 33 SER N N 15 109.475 0.059 . 1 . . . . 189 SER N . 7429 1 61 . 1 1 35 35 THR H H 1 7.789 0.002 . 1 . . . . 191 THR H . 7429 1 62 . 1 1 35 35 THR N N 15 110.458 0.059 . 1 . . . . 191 THR N . 7429 1 63 . 1 1 36 36 ILE H H 1 8.927 0.002 . 1 . . . . 192 ILE H . 7429 1 64 . 1 1 36 36 ILE N N 15 116.975 0.059 . 1 . . . . 192 ILE N . 7429 1 65 . 1 1 37 37 SER H H 1 8.678 0.002 . 1 . . . . 193 SER H . 7429 1 66 . 1 1 37 37 SER N N 15 118.913 0.059 . 1 . . . . 193 SER N . 7429 1 67 . 1 1 38 38 PHE H H 1 8.385 0.002 . 1 . . . . 194 PHE H . 7429 1 68 . 1 1 38 38 PHE N N 15 120.757 0.059 . 1 . . . . 194 PHE N . 7429 1 69 . 1 1 39 39 VAL H H 1 9.397 0.002 . 1 . . . . 195 VAL H . 7429 1 70 . 1 1 39 39 VAL N N 15 125.299 0.059 . 1 . . . . 195 VAL N . 7429 1 71 . 1 1 40 40 LYS H H 1 9.53 0.002 . 1 . . . . 196 LYS H . 7429 1 72 . 1 1 40 40 LYS N N 15 131.684 0.059 . 1 . . . . 196 LYS N . 7429 1 73 . 1 1 41 41 LEU H H 1 7.883 0.002 . 1 . . . . 197 LEU H . 7429 1 74 . 1 1 41 41 LEU N N 15 123.345 0.059 . 1 . . . . 197 LEU N . 7429 1 75 . 1 1 42 42 ASN H H 1 8.569 0.002 . 1 . . . . 198 ASN H . 7429 1 76 . 1 1 42 42 ASN N N 15 116.111 0.059 . 1 . . . . 198 ASN N . 7429 1 77 . 1 1 43 43 SER H H 1 7.665 0.002 . 1 . . . . 199 SER H . 7429 1 78 . 1 1 43 43 SER N N 15 113.267 0.059 . 1 . . . . 199 SER N . 7429 1 79 . 1 1 44 44 GLU H H 1 8.441 0.002 . 1 . . . . 200 GLU H . 7429 1 80 . 1 1 44 44 GLU N N 15 120.664 0.059 . 1 . . . . 200 GLU N . 7429 1 81 . 1 1 45 45 ALA H H 1 7.978 0.002 . 1 . . . . 201 ALA H . 7429 1 82 . 1 1 45 45 ALA N N 15 122.765 0.059 . 1 . . . . 201 ALA N . 7429 1 83 . 1 1 46 46 ALA H H 1 8.671 0.002 . 1 . . . . 202 ALA H . 7429 1 84 . 1 1 46 46 ALA N N 15 124.187 0.059 . 1 . . . . 202 ALA N . 7429 1 85 . 1 1 47 47 ALA H H 1 9.005 0.002 . 1 . . . . 203 ALA H . 7429 1 86 . 1 1 47 47 ALA N N 15 126.766 0.059 . 1 . . . . 203 ALA N . 7429 1 87 . 1 1 48 48 VAL H H 1 7.386 0.002 . 1 . . . . 204 VAL H . 7429 1 88 . 1 1 48 48 VAL N N 15 113.967 0.059 . 1 . . . . 204 VAL N . 7429 1 89 . 1 1 49 49 VAL H H 1 8.362 0.002 . 1 . . . . 205 VAL H . 7429 1 90 . 1 1 49 49 VAL N N 15 128.1 0.059 . 1 . . . . 205 VAL N . 7429 1 91 . 1 1 50 50 LEU H H 1 9.414 0.002 . 1 . . . . 206 LEU H . 7429 1 92 . 1 1 50 50 LEU N N 15 126.604 0.059 . 1 . . . . 206 LEU N . 7429 1 93 . 1 1 51 51 GLN H H 1 9.081 0.002 . 1 . . . . 207 GLN H . 7429 1 94 . 1 1 51 51 GLN N N 15 122.582 0.059 . 1 . . . . 207 GLN N . 7429 1 95 . 1 1 52 52 LEU H H 1 8.503 0.002 . 1 . . . . 208 LEU H . 7429 1 96 . 1 1 52 52 LEU N N 15 125.236 0.059 . 1 . . . . 208 LEU N . 7429 1 97 . 1 1 53 53 MET H H 1 8.352 0.002 . 1 . . . . 209 MET H . 7429 1 98 . 1 1 53 53 MET N N 15 112.719 0.059 . 1 . . . . 209 MET N . 7429 1 99 . 1 1 55 55 ILE H H 1 7.62 0.002 . 1 . . . . 211 ILE H . 7429 1 100 . 1 1 55 55 ILE N N 15 120.749 0.059 . 1 . . . . 211 ILE N . 7429 1 101 . 1 1 56 56 ARG H H 1 9.277 0.002 . 1 . . . . 212 ARG H . 7429 1 102 . 1 1 56 56 ARG N N 15 127.6 0.059 . 1 . . . . 212 ARG N . 7429 1 103 . 1 1 60 60 HIS H H 1 8.014 0.002 . 1 . . . . 216 HIS H . 7429 1 104 . 1 1 60 60 HIS N N 15 112.643 0.059 . 1 . . . . 216 HIS N . 7429 1 105 . 1 1 61 61 SER H H 1 8.741 0.002 . 1 . . . . 217 SER H . 7429 1 106 . 1 1 61 61 SER N N 15 115.671 0.059 . 1 . . . . 217 SER N . 7429 1 107 . 1 1 62 62 GLU H H 1 9.31 0.002 . 1 . . . . 218 GLU H . 7429 1 108 . 1 1 62 62 GLU N N 15 125.588 0.059 . 1 . . . . 218 GLU N . 7429 1 109 . 1 1 63 63 ASN H H 1 8.545 0.002 . 1 . . . . 219 ASN H . 7429 1 110 . 1 1 63 63 ASN N N 15 118.682 0.059 . 1 . . . . 219 ASN N . 7429 1 111 . 1 1 64 64 PHE H H 1 8.63 0.002 . 1 . . . . 220 PHE H . 7429 1 112 . 1 1 64 64 PHE N N 15 116.88 0.059 . 1 . . . . 220 PHE N . 7429 1 113 . 1 1 65 65 PHE H H 1 9.359 0.002 . 1 . . . . 221 PHE H . 7429 1 114 . 1 1 65 65 PHE N N 15 122.612 0.059 . 1 . . . . 221 PHE N . 7429 1 115 . 1 1 69 69 VAL H H 1 9.718 0.002 . 1 . . . . 225 VAL H . 7429 1 116 . 1 1 69 69 VAL N N 15 122.991 0.059 . 1 . . . . 225 VAL N . 7429 1 117 . 1 1 71 71 ARG H H 1 8.363 0.002 . 1 . . . . 227 ARG H . 7429 1 118 . 1 1 71 71 ARG N N 15 114.906 0.059 . 1 . . . . 227 ARG N . 7429 1 119 . 1 1 72 72 SER H H 1 8.31 0.002 . 1 . . . . 228 SER H . 7429 1 120 . 1 1 72 72 SER N N 15 112.637 0.059 . 1 . . . . 228 SER N . 7429 1 121 . 1 1 73 73 ALA H H 1 7.395 0.002 . 1 . . . . 229 ALA H . 7429 1 122 . 1 1 73 73 ALA N N 15 122.534 0.059 . 1 . . . . 229 ALA N . 7429 1 123 . 1 1 74 74 VAL H H 1 8.926 0.002 . 1 . . . . 230 VAL H . 7429 1 124 . 1 1 74 74 VAL N N 15 122.738 0.059 . 1 . . . . 230 VAL N . 7429 1 125 . 1 1 75 75 THR H H 1 6.89 0.002 . 1 . . . . 231 THR H . 7429 1 126 . 1 1 75 75 THR N N 15 106.556 0.059 . 1 . . . . 231 THR N . 7429 1 127 . 1 1 76 76 GLY H H 1 7.645 0.002 . 1 . . . . 232 GLY H . 7429 1 128 . 1 1 76 76 GLY N N 15 109.518 0.059 . 1 . . . . 232 GLY N . 7429 1 129 . 1 1 78 78 GLY H H 1 8.005 0.002 . 1 . . . . 234 GLY H . 7429 1 130 . 1 1 78 78 GLY N N 15 107.145 0.059 . 1 . . . . 234 GLY N . 7429 1 131 . 1 1 79 79 GLU H H 1 8.631 0.002 . 1 . . . . 235 GLU H . 7429 1 132 . 1 1 79 79 GLU N N 15 116.647 0.059 . 1 . . . . 235 GLU N . 7429 1 133 . 1 1 80 80 PHE H H 1 8.962 0.002 . 1 . . . . 236 PHE H . 7429 1 134 . 1 1 80 80 PHE N N 15 117.84 0.059 . 1 . . . . 236 PHE N . 7429 1 135 . 1 1 81 81 TRP H H 1 10.224 0.002 . 1 . . . . 237 TRP H . 7429 1 136 . 1 1 81 81 TRP HE1 H 1 10.694 0.002 . 1 . . . . 237 TRP HE1 . 7429 1 137 . 1 1 81 81 TRP N N 15 122.919 0.059 . 1 . . . . 237 TRP N . 7429 1 138 . 1 1 81 81 TRP NE1 N 15 132.301 0.059 . 1 . . . . 237 TRP NE1 . 7429 1 139 . 1 1 82 82 MET H H 1 9.502 0.002 . 1 . . . . 238 MET H . 7429 1 140 . 1 1 82 82 MET N N 15 119.981 0.059 . 1 . . . . 238 MET N . 7429 1 141 . 1 1 83 83 GLN H H 1 9.542 0.002 . 1 . . . . 239 GLN H . 7429 1 142 . 1 1 83 83 GLN N N 15 124.055 0.059 . 1 . . . . 239 GLN N . 7429 1 143 . 1 1 84 84 VAL H H 1 8.633 0.002 . 1 . . . . 240 VAL H . 7429 1 144 . 1 1 84 84 VAL N N 15 118.925 0.059 . 1 . . . . 240 VAL N . 7429 1 145 . 1 1 85 85 ASP H H 1 8.499 0.002 . 1 . . . . 241 ASP H . 7429 1 146 . 1 1 85 85 ASP N N 15 116.784 0.059 . 1 . . . . 241 ASP N . 7429 1 147 . 1 1 86 86 ASP H H 1 7.194 0.002 . 1 . . . . 242 ASP H . 7429 1 148 . 1 1 86 86 ASP N N 15 109.402 0.059 . 1 . . . . 242 ASP N . 7429 1 149 . 1 1 87 87 SER H H 1 8.591 0.002 . 1 . . . . 243 SER H . 7429 1 150 . 1 1 87 87 SER N N 15 114.171 0.059 . 1 . . . . 243 SER N . 7429 1 151 . 1 1 88 88 VAL H H 1 8.105 0.002 . 1 . . . . 244 VAL H . 7429 1 152 . 1 1 88 88 VAL N N 15 126.566 0.059 . 1 . . . . 244 VAL N . 7429 1 153 . 1 1 89 89 VAL H H 1 8.376 0.002 . 1 . . . . 245 VAL H . 7429 1 154 . 1 1 89 89 VAL N N 15 121.837 0.059 . 1 . . . . 245 VAL N . 7429 1 155 . 1 1 90 90 ALA H H 1 7.186 0.002 . 1 . . . . 246 ALA H . 7429 1 156 . 1 1 90 90 ALA N N 15 120.765 0.059 . 1 . . . . 246 ALA N . 7429 1 157 . 1 1 91 91 GLN H H 1 7.527 0.002 . 1 . . . . 247 GLN H . 7429 1 158 . 1 1 91 91 GLN N N 15 115.705 0.059 . 1 . . . . 247 GLN N . 7429 1 159 . 1 1 92 92 ASN H H 1 8.24 0.002 . 1 . . . . 248 ASN H . 7429 1 160 . 1 1 92 92 ASN N N 15 119.299 0.059 . 1 . . . . 248 ASN N . 7429 1 161 . 1 1 93 93 MET H H 1 8.452 0.002 . 1 . . . . 249 MET H . 7429 1 162 . 1 1 93 93 MET N N 15 123.394 0.059 . 1 . . . . 249 MET N . 7429 1 163 . 1 1 94 94 HIS H H 1 7.092 0.002 . 1 . . . . 250 HIS H . 7429 1 164 . 1 1 94 94 HIS N N 15 118.198 0.059 . 1 . . . . 250 HIS N . 7429 1 165 . 1 1 95 95 GLU H H 1 8.32 0.002 . 1 . . . . 251 GLU H . 7429 1 166 . 1 1 95 95 GLU N N 15 116.633 0.059 . 1 . . . . 251 GLU N . 7429 1 167 . 1 1 96 96 THR H H 1 8.271 0.002 . 1 . . . . 252 THR H . 7429 1 168 . 1 1 96 96 THR N N 15 116.703 0.059 . 1 . . . . 252 THR N . 7429 1 169 . 1 1 97 97 ILE H H 1 8.507 0.002 . 1 . . . . 253 ILE H . 7429 1 170 . 1 1 97 97 ILE N N 15 124.632 0.059 . 1 . . . . 253 ILE N . 7429 1 171 . 1 1 98 98 LEU H H 1 8.435 0.002 . 1 . . . . 254 LEU H . 7429 1 172 . 1 1 98 98 LEU N N 15 121.252 0.059 . 1 . . . . 254 LEU N . 7429 1 173 . 1 1 99 99 GLU H H 1 7.817 0.002 . 1 . . . . 255 GLU H . 7429 1 174 . 1 1 99 99 GLU N N 15 119.068 0.059 . 1 . . . . 255 GLU N . 7429 1 175 . 1 1 100 100 ALA H H 1 7.652 0.002 . 1 . . . . 256 ALA H . 7429 1 176 . 1 1 100 100 ALA N N 15 123.162 0.059 . 1 . . . . 256 ALA N . 7429 1 177 . 1 1 101 101 MET H H 1 8.561 0.002 . 1 . . . . 257 MET H . 7429 1 178 . 1 1 101 101 MET N N 15 118.708 0.059 . 1 . . . . 257 MET N . 7429 1 179 . 1 1 102 102 ARG H H 1 8.322 0.002 . 1 . . . . 258 ARG H . 7429 1 180 . 1 1 102 102 ARG N N 15 121.182 0.059 . 1 . . . . 258 ARG N . 7429 1 181 . 1 1 103 103 ALA H H 1 8.106 0.002 . 1 . . . . 259 ALA H . 7429 1 182 . 1 1 103 103 ALA N N 15 121.358 0.059 . 1 . . . . 259 ALA N . 7429 1 183 . 1 1 104 104 MET H H 1 7.473 0.002 . 1 . . . . 260 MET H . 7429 1 184 . 1 1 104 104 MET N N 15 116.443 0.059 . 1 . . . . 260 MET N . 7429 1 185 . 1 1 105 105 SER H H 1 7.902 0.002 . 1 . . . . 261 SER H . 7429 1 186 . 1 1 105 105 SER N N 15 114.801 0.059 . 1 . . . . 261 SER N . 7429 1 187 . 1 1 106 106 ASP H H 1 8.115 0.002 . 1 . . . . 262 ASP H . 7429 1 188 . 1 1 106 106 ASP N N 15 121.994 0.059 . 1 . . . . 262 ASP N . 7429 1 189 . 1 1 107 107 GLU H H 1 7.876 0.002 . 1 . . . . 263 GLU H . 7429 1 190 . 1 1 107 107 GLU N N 15 119.508 0.059 . 1 . . . . 263 GLU N . 7429 1 191 . 1 1 108 108 PHE H H 1 7.852 0.002 . 1 . . . . 264 PHE H . 7429 1 192 . 1 1 108 108 PHE N N 15 118.49 0.059 . 1 . . . . 264 PHE N . 7429 1 193 . 1 1 109 109 ARG H H 1 7.702 0.002 . 1 . . . . 265 ARG H . 7429 1 194 . 1 1 109 109 ARG N N 15 123.552 0.059 . 1 . . . . 265 ARG N . 7429 1 195 . 1 1 111 111 ARG H H 1 7.986 0.002 . 1 . . . . 267 ARG H . 7429 1 196 . 1 1 111 111 ARG N N 15 126.749 0.059 . 1 . . . . 267 ARG N . 7429 1 stop_ save_