data_15959 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15959 _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. . 15959 2 Virginia Jarymowycz . A. . 15959 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15959 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 107 15959 '1H chemical shifts' 107 15959 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' 15959 1 . . 2008-10-03 2008-09-18 original author 'original release' 15959 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 7429 'Bound Form' 15959 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15959 _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. . 15959 1 2 Virginia Jarymowycz . A. . 15959 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'insulin receptor substrate-1' 15959 1 IRS-1 15959 1 'phosphotyrosine binding domain' 15959 1 'PTB domain' 15959 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15959 _Assembly.ID 1 _Assembly.Name 'Phosphotyrosine-Binding Domain of Insulin Receptor Substrate-1 Monomer' _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 . . . 15959 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 15959 _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 2015-11-26 loop_ _Entity_db_link.Ordinal _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 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 5.01e-76 . . . . 15959 1 2 no PDB 1QQG . "Crystal Structure Of The Ph-Ptb Targeting Region Of Irs-1" . . . . . 100.00 264 100.00 100.00 2.27e-74 . . . . 15959 1 3 no DBJ BAA11026 . "IRS-1(COS) [Chlorocebus aethiops]" . . . . . 100.00 1251 100.00 100.00 1.83e-70 . . . . 15959 1 4 no DBJ BAC32308 . "unnamed protein product [Mus musculus]" . . . . . 100.00 1231 100.00 100.00 1.64e-70 . . . . 15959 1 5 no DBJ BAE24991 . "unnamed protein product [Mus musculus]" . . . . . 100.00 1231 100.00 100.00 1.64e-70 . . . . 15959 1 6 no DBJ BAG10207 . "insulin receptor substrate 1 [synthetic construct]" . . . . . 100.00 1242 100.00 100.00 1.75e-70 . . . . 15959 1 7 no EMBL CAA41264 . "IRS-1 [Rattus norvegicus]" . . . . . 100.00 1235 100.00 100.00 1.68e-70 . . . . 15959 1 8 no EMBL CAA49378 . "insulin receptor substrate 1 [Mus musculus]" . . . . . 100.00 1231 100.00 100.00 1.64e-70 . . . . 15959 1 9 no GB AAA39335 . "insulin receptor substrate-1 [Mus musculus]" . . . . . 100.00 1233 100.00 100.00 1.66e-70 . . . . 15959 1 10 no GB AAB21608 . "hIRS-1 [Homo sapiens]" . . . . . 100.00 1243 100.00 100.00 1.76e-70 . . . . 15959 1 11 no GB AAB27175 . "insulin receptor substrate-1 [Homo sapiens]" . . . . . 100.00 1242 100.00 100.00 1.75e-70 . . . . 15959 1 12 no GB AAH53895 . "Insulin receptor substrate 1 [Homo sapiens]" . . . . . 100.00 1242 100.00 100.00 1.75e-70 . . . . 15959 1 13 no GB AAI56077 . "Insulin receptor substrate 1, partial [synthetic construct]" . . . . . 100.00 1231 100.00 100.00 1.64e-70 . . . . 15959 1 14 no PRF 1712323A . "insulin receptor" . . . . . 100.00 1235 100.00 100.00 1.68e-70 . . . . 15959 1 15 no REF NP_001231418 . "insulin receptor substrate 1 [Sus scrofa]" . . . . . 100.00 1241 100.00 100.00 1.74e-70 . . . . 15959 1 16 no REF NP_005535 . "insulin receptor substrate 1 [Homo sapiens]" . . . . . 100.00 1242 100.00 100.00 1.75e-70 . . . . 15959 1 17 no REF NP_034700 . "insulin receptor substrate 1 [Mus musculus]" . . . . . 100.00 1231 100.00 100.00 1.64e-70 . . . . 15959 1 18 no REF NP_037101 . "insulin receptor substrate 1 [Rattus norvegicus]" . . . . . 100.00 1235 100.00 100.00 1.68e-70 . . . . 15959 1 19 no REF XP_001109882 . "PREDICTED: insulin receptor substrate 1-like [Macaca mulatta]" . . . . . 100.00 1252 100.00 100.00 1.84e-70 . . . . 15959 1 20 no SP P35568 . "RecName: Full=Insulin receptor substrate 1; Short=IRS-1" . . . . . 100.00 1242 100.00 100.00 1.75e-70 . . . . 15959 1 21 no SP P35569 . "RecName: Full=Insulin receptor substrate 1; Short=IRS-1" . . . . . 100.00 1233 100.00 100.00 1.66e-70 . . . . 15959 1 22 no SP P35570 . "RecName: Full=Insulin receptor substrate 1; Short=IRS-1; AltName: Full=pp185" . . . . . 100.00 1235 100.00 100.00 1.68e-70 . . . . 15959 1 23 no SP Q28224 . "RecName: Full=Insulin receptor substrate 1; Short=IRS-1" . . . . . 100.00 1251 100.00 100.00 1.83e-70 . . . . 15959 1 24 no TPG DAA32358 . "TPA: insulin receptor substrate 1 [Bos taurus]" . . . . . 100.00 1237 100.00 100.00 1.70e-70 . . . . 15959 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 . 15959 1 2 158 PRO . 15959 1 3 159 ALA . 15959 1 4 160 PHE . 15959 1 5 161 LYS . 15959 1 6 162 GLU . 15959 1 7 163 VAL . 15959 1 8 164 TRP . 15959 1 9 165 GLN . 15959 1 10 166 VAL . 15959 1 11 167 ILE . 15959 1 12 168 LEU . 15959 1 13 169 LYS . 15959 1 14 170 PRO . 15959 1 15 171 LYS . 15959 1 16 172 GLY . 15959 1 17 173 LEU . 15959 1 18 174 GLY . 15959 1 19 175 GLN . 15959 1 20 176 THR . 15959 1 21 177 LYS . 15959 1 22 178 ASN . 15959 1 23 179 LEU . 15959 1 24 180 ILE . 15959 1 25 181 GLY . 15959 1 26 182 ILE . 15959 1 27 183 TYR . 15959 1 28 184 ARG . 15959 1 29 185 LEU . 15959 1 30 186 CYS . 15959 1 31 187 LEU . 15959 1 32 188 THR . 15959 1 33 189 SER . 15959 1 34 190 LYS . 15959 1 35 191 THR . 15959 1 36 192 ILE . 15959 1 37 193 SER . 15959 1 38 194 PHE . 15959 1 39 195 VAL . 15959 1 40 196 LYS . 15959 1 41 197 LEU . 15959 1 42 198 ASN . 15959 1 43 199 SER . 15959 1 44 200 GLU . 15959 1 45 201 ALA . 15959 1 46 202 ALA . 15959 1 47 203 ALA . 15959 1 48 204 VAL . 15959 1 49 205 VAL . 15959 1 50 206 LEU . 15959 1 51 207 GLN . 15959 1 52 208 LEU . 15959 1 53 209 MET . 15959 1 54 210 ASN . 15959 1 55 211 ILE . 15959 1 56 212 ARG . 15959 1 57 213 ARG . 15959 1 58 214 CYS . 15959 1 59 215 GLY . 15959 1 60 216 HIS . 15959 1 61 217 SER . 15959 1 62 218 GLU . 15959 1 63 219 ASN . 15959 1 64 220 PHE . 15959 1 65 221 PHE . 15959 1 66 222 PHE . 15959 1 67 223 ILE . 15959 1 68 224 GLU . 15959 1 69 225 VAL . 15959 1 70 226 GLY . 15959 1 71 227 ARG . 15959 1 72 228 SER . 15959 1 73 229 ALA . 15959 1 74 230 VAL . 15959 1 75 231 THR . 15959 1 76 232 GLY . 15959 1 77 233 PRO . 15959 1 78 234 GLY . 15959 1 79 235 GLU . 15959 1 80 236 PHE . 15959 1 81 237 TRP . 15959 1 82 238 MET . 15959 1 83 239 GLN . 15959 1 84 240 VAL . 15959 1 85 241 ASP . 15959 1 86 242 ASP . 15959 1 87 243 SER . 15959 1 88 244 VAL . 15959 1 89 245 VAL . 15959 1 90 246 ALA . 15959 1 91 247 GLN . 15959 1 92 248 ASN . 15959 1 93 249 MET . 15959 1 94 250 HIS . 15959 1 95 251 GLU . 15959 1 96 252 THR . 15959 1 97 253 ILE . 15959 1 98 254 LEU . 15959 1 99 255 GLU . 15959 1 100 256 ALA . 15959 1 101 257 MET . 15959 1 102 258 ARG . 15959 1 103 259 ALA . 15959 1 104 260 MET . 15959 1 105 261 SER . 15959 1 106 262 ASP . 15959 1 107 263 GLU . 15959 1 108 264 PHE . 15959 1 109 265 ARG . 15959 1 110 266 PRO . 15959 1 111 267 ARG . 15959 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 15959 1 . PRO 2 2 15959 1 . ALA 3 3 15959 1 . PHE 4 4 15959 1 . LYS 5 5 15959 1 . GLU 6 6 15959 1 . VAL 7 7 15959 1 . TRP 8 8 15959 1 . GLN 9 9 15959 1 . VAL 10 10 15959 1 . ILE 11 11 15959 1 . LEU 12 12 15959 1 . LYS 13 13 15959 1 . PRO 14 14 15959 1 . LYS 15 15 15959 1 . GLY 16 16 15959 1 . LEU 17 17 15959 1 . GLY 18 18 15959 1 . GLN 19 19 15959 1 . THR 20 20 15959 1 . LYS 21 21 15959 1 . ASN 22 22 15959 1 . LEU 23 23 15959 1 . ILE 24 24 15959 1 . GLY 25 25 15959 1 . ILE 26 26 15959 1 . TYR 27 27 15959 1 . ARG 28 28 15959 1 . LEU 29 29 15959 1 . CYS 30 30 15959 1 . LEU 31 31 15959 1 . THR 32 32 15959 1 . SER 33 33 15959 1 . LYS 34 34 15959 1 . THR 35 35 15959 1 . ILE 36 36 15959 1 . SER 37 37 15959 1 . PHE 38 38 15959 1 . VAL 39 39 15959 1 . LYS 40 40 15959 1 . LEU 41 41 15959 1 . ASN 42 42 15959 1 . SER 43 43 15959 1 . GLU 44 44 15959 1 . ALA 45 45 15959 1 . ALA 46 46 15959 1 . ALA 47 47 15959 1 . VAL 48 48 15959 1 . VAL 49 49 15959 1 . LEU 50 50 15959 1 . GLN 51 51 15959 1 . LEU 52 52 15959 1 . MET 53 53 15959 1 . ASN 54 54 15959 1 . ILE 55 55 15959 1 . ARG 56 56 15959 1 . ARG 57 57 15959 1 . CYS 58 58 15959 1 . GLY 59 59 15959 1 . HIS 60 60 15959 1 . SER 61 61 15959 1 . GLU 62 62 15959 1 . ASN 63 63 15959 1 . PHE 64 64 15959 1 . PHE 65 65 15959 1 . PHE 66 66 15959 1 . ILE 67 67 15959 1 . GLU 68 68 15959 1 . VAL 69 69 15959 1 . GLY 70 70 15959 1 . ARG 71 71 15959 1 . SER 72 72 15959 1 . ALA 73 73 15959 1 . VAL 74 74 15959 1 . THR 75 75 15959 1 . GLY 76 76 15959 1 . PRO 77 77 15959 1 . GLY 78 78 15959 1 . GLU 79 79 15959 1 . PHE 80 80 15959 1 . TRP 81 81 15959 1 . MET 82 82 15959 1 . GLN 83 83 15959 1 . VAL 84 84 15959 1 . ASP 85 85 15959 1 . ASP 86 86 15959 1 . SER 87 87 15959 1 . VAL 88 88 15959 1 . VAL 89 89 15959 1 . ALA 90 90 15959 1 . GLN 91 91 15959 1 . ASN 92 92 15959 1 . MET 93 93 15959 1 . HIS 94 94 15959 1 . GLU 95 95 15959 1 . THR 96 96 15959 1 . ILE 97 97 15959 1 . LEU 98 98 15959 1 . GLU 99 99 15959 1 . ALA 100 100 15959 1 . MET 101 101 15959 1 . ARG 102 102 15959 1 . ALA 103 103 15959 1 . MET 104 104 15959 1 . SER 105 105 15959 1 . ASP 106 106 15959 1 . GLU 107 107 15959 1 . PHE 108 108 15959 1 . ARG 109 109 15959 1 . PRO 110 110 15959 1 . ARG 111 111 15959 1 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 15959 _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 . . . . . . . . . . . . . . . . . . . . . 15959 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 15959 _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 . 'recombinant technology' 'Escherichia coli' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . . . . pET30a . . . . . . 15959 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_PTB_Domain_of_IRS-1_Apo_State _Sample.Sf_category sample _Sample.Sf_framecode PTB_Domain_of_IRS-1_Apo_State _Sample.Entry_ID 15959 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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-95% 13C]' . . 1 $Phosphotyrosine-Binding_Domain_of_Insulin_Receptor_Substrate-1 . . 200 . . uM . . . . 15959 1 stop_ save_ ####################### # Sample conditions # ####################### save_PTB_Domain_of_IRS-1_Apo_Sample_Conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode PTB_Domain_of_IRS-1_Apo_Sample_Conditions _Sample_condition_list.Entry_ID 15959 _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 15959 1 pH 6.5 . pH 15959 1 pressure 1 . atm 15959 1 temperature 303 . K 15959 1 stop_ save_ ############################ # Computer software used # ############################ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 15959 _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.' . . 15959 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15959 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 15959 _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 15959 _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 . . . 15959 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 15959 _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_Apo_State isotropic . . 1 $PTB_Domain_of_IRS-1_Apo_Sample_Conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15959 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $PTB_Domain_of_IRS-1_Apo_State isotropic . . 1 $PTB_Domain_of_IRS-1_Apo_Sample_Conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15959 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 15959 _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 . . . . . . . . . 15959 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . . . . . . . 15959 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_Apo _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode PTB_Domain_of_IRS-1_Apo _Assigned_chem_shift_list.Entry_ID 15959 _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_Apo_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' . . . 15959 1 2 '3D CBCA(CO)NH' . . . 15959 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 8.179 0.002 . 1 . . . . 159 ALA H . 15959 1 2 . 1 1 3 3 ALA N N 15 123.613 0.059 . 1 . . . . 159 ALA N . 15959 1 3 . 1 1 4 4 PHE H H 1 7.804 0.002 . 1 . . . . 160 PHE H . 15959 1 4 . 1 1 4 4 PHE N N 15 118.541 0.059 . 1 . . . . 160 PHE N . 15959 1 5 . 1 1 5 5 LYS H H 1 8.55 0.002 . 1 . . . . 161 LYS H . 15959 1 6 . 1 1 5 5 LYS N N 15 123.975 0.059 . 1 . . . . 161 LYS N . 15959 1 7 . 1 1 6 6 GLU H H 1 7.607 0.002 . 1 . . . . 162 GLU H . 15959 1 8 . 1 1 6 6 GLU N N 15 117.885 0.059 . 1 . . . . 162 GLU N . 15959 1 9 . 1 1 7 7 VAL H H 1 7.759 0.002 . 1 . . . . 163 VAL H . 15959 1 10 . 1 1 7 7 VAL N N 15 120.318 0.059 . 1 . . . . 163 VAL N . 15959 1 11 . 1 1 8 8 TRP H H 1 8.892 0.002 . 1 . . . . 164 TRP H . 15959 1 12 . 1 1 8 8 TRP HE1 H 1 10.018 0.002 . 1 . . . . 164 TRP HE1 . 15959 1 13 . 1 1 8 8 TRP N N 15 125.174 0.059 . 1 . . . . 164 TRP N . 15959 1 14 . 1 1 8 8 TRP NE1 N 15 129.384 0.059 . 1 . . . . 164 TRP NE1 . 15959 1 15 . 1 1 9 9 GLN H H 1 9.058 0.002 . 1 . . . . 165 GLN H . 15959 1 16 . 1 1 9 9 GLN N N 15 123.97 0.059 . 1 . . . . 165 GLN N . 15959 1 17 . 1 1 10 10 VAL H H 1 9.348 0.002 . 1 . . . . 166 VAL H . 15959 1 18 . 1 1 10 10 VAL N N 15 119.364 0.059 . 1 . . . . 166 VAL N . 15959 1 19 . 1 1 11 11 ILE H H 1 8.636 0.002 . 1 . . . . 167 ILE H . 15959 1 20 . 1 1 11 11 ILE N N 15 119.718 0.059 . 1 . . . . 167 ILE N . 15959 1 21 . 1 1 12 12 LEU H H 1 9.494 0.002 . 1 . . . . 168 LEU H . 15959 1 22 . 1 1 12 12 LEU N N 15 130.652 0.059 . 1 . . . . 168 LEU N . 15959 1 23 . 1 1 13 13 LYS H H 1 8.699 0.002 . 1 . . . . 169 LYS H . 15959 1 24 . 1 1 13 13 LYS N N 15 123.202 0.059 . 1 . . . . 169 LYS N . 15959 1 25 . 1 1 15 15 LYS H H 1 8.029 0.002 . 1 . . . . 171 LYS H . 15959 1 26 . 1 1 15 15 LYS N N 15 122.251 0.059 . 1 . . . . 171 LYS N . 15959 1 27 . 1 1 17 17 LEU H H 1 9.252 0.002 . 1 . . . . 173 LEU H . 15959 1 28 . 1 1 17 17 LEU N N 15 126.934 0.059 . 1 . . . . 173 LEU N . 15959 1 29 . 1 1 18 18 GLY H H 1 7.938 0.002 . 1 . . . . 174 GLY H . 15959 1 30 . 1 1 18 18 GLY N N 15 106.005 0.059 . 1 . . . . 174 GLY N . 15959 1 31 . 1 1 19 19 GLN H H 1 7.271 0.002 . 1 . . . . 175 GLN H . 15959 1 32 . 1 1 19 19 GLN N N 15 117.67 0.059 . 1 . . . . 175 GLN N . 15959 1 33 . 1 1 20 20 THR H H 1 7.969 0.002 . 1 . . . . 176 THR H . 15959 1 34 . 1 1 20 20 THR N N 15 112.794 0.059 . 1 . . . . 176 THR N . 15959 1 35 . 1 1 21 21 LYS H H 1 8.276 0.002 . 1 . . . . 177 LYS H . 15959 1 36 . 1 1 21 21 LYS N N 15 116.624 0.059 . 1 . . . . 177 LYS N . 15959 1 37 . 1 1 22 22 ASN H H 1 7.567 0.002 . 1 . . . . 178 ASN H . 15959 1 38 . 1 1 22 22 ASN N N 15 117.852 0.059 . 1 . . . . 178 ASN N . 15959 1 39 . 1 1 23 23 LEU H H 1 8.642 0.002 . 1 . . . . 179 LEU H . 15959 1 40 . 1 1 23 23 LEU N N 15 123.604 0.059 . 1 . . . . 179 LEU N . 15959 1 41 . 1 1 24 24 ILE H H 1 7.237 0.002 . 1 . . . . 180 ILE H . 15959 1 42 . 1 1 24 24 ILE N N 15 115.524 0.059 . 1 . . . . 180 ILE N . 15959 1 43 . 1 1 25 25 GLY H H 1 8.537 0.002 . 1 . . . . 181 GLY H . 15959 1 44 . 1 1 25 25 GLY N N 15 113.168 0.059 . 1 . . . . 181 GLY N . 15959 1 45 . 1 1 26 26 ILE H H 1 8.397 0.002 . 1 . . . . 182 ILE H . 15959 1 46 . 1 1 26 26 ILE N N 15 121.667 0.059 . 1 . . . . 182 ILE N . 15959 1 47 . 1 1 27 27 TYR H H 1 9.287 0.002 . 1 . . . . 183 TYR H . 15959 1 48 . 1 1 27 27 TYR N N 15 127.822 0.059 . 1 . . . . 183 TYR N . 15959 1 49 . 1 1 28 28 ARG H H 1 9.452 0.002 . 1 . . . . 184 ARG H . 15959 1 50 . 1 1 28 28 ARG N N 15 118.435 0.059 . 1 . . . . 184 ARG N . 15959 1 51 . 1 1 29 29 LEU H H 1 9.576 0.002 . 1 . . . . 185 LEU H . 15959 1 52 . 1 1 29 29 LEU N N 15 128.382 0.059 . 1 . . . . 185 LEU N . 15959 1 53 . 1 1 30 30 CYS H H 1 8.912 0.002 . 1 . . . . 186 CYS H . 15959 1 54 . 1 1 30 30 CYS N N 15 123.848 0.059 . 1 . . . . 186 CYS N . 15959 1 55 . 1 1 31 31 LEU H H 1 9.15 0.002 . 1 . . . . 187 LEU H . 15959 1 56 . 1 1 31 31 LEU N N 15 130.955 0.059 . 1 . . . . 187 LEU N . 15959 1 57 . 1 1 32 32 THR H H 1 8.986 0.002 . 1 . . . . 188 THR H . 15959 1 58 . 1 1 32 32 THR N N 15 118.286 0.059 . 1 . . . . 188 THR N . 15959 1 59 . 1 1 33 33 SER H H 1 8.495 0.002 . 1 . . . . 189 SER H . 15959 1 60 . 1 1 33 33 SER N N 15 109.742 0.059 . 1 . . . . 189 SER N . 15959 1 61 . 1 1 34 34 LYS H H 1 7.798 0.002 . 1 . . . . 190 LYS H . 15959 1 62 . 1 1 34 34 LYS N N 15 114.06 0.059 . 1 . . . . 190 LYS N . 15959 1 63 . 1 1 35 35 THR H H 1 7.834 0.002 . 1 . . . . 191 THR H . 15959 1 64 . 1 1 35 35 THR N N 15 110.301 0.059 . 1 . . . . 191 THR N . 15959 1 65 . 1 1 36 36 ILE H H 1 8.922 0.002 . 1 . . . . 192 ILE H . 15959 1 66 . 1 1 36 36 ILE N N 15 116.76 0.059 . 1 . . . . 192 ILE N . 15959 1 67 . 1 1 37 37 SER H H 1 8.69 0.002 . 1 . . . . 193 SER H . 15959 1 68 . 1 1 37 37 SER N N 15 118.785 0.059 . 1 . . . . 193 SER N . 15959 1 69 . 1 1 38 38 PHE H H 1 8.396 0.002 . 1 . . . . 194 PHE H . 15959 1 70 . 1 1 38 38 PHE N N 15 120.802 0.059 . 1 . . . . 194 PHE N . 15959 1 71 . 1 1 39 39 VAL H H 1 9.413 0.002 . 1 . . . . 195 VAL H . 15959 1 72 . 1 1 39 39 VAL N N 15 125.345 0.059 . 1 . . . . 195 VAL N . 15959 1 73 . 1 1 40 40 LYS H H 1 9.547 0.002 . 1 . . . . 196 LYS H . 15959 1 74 . 1 1 40 40 LYS N N 15 131.757 0.059 . 1 . . . . 196 LYS N . 15959 1 75 . 1 1 41 41 LEU H H 1 7.874 0.002 . 1 . . . . 197 LEU H . 15959 1 76 . 1 1 41 41 LEU N N 15 123.385 0.059 . 1 . . . . 197 LEU N . 15959 1 77 . 1 1 42 42 ASN H H 1 8.585 0.002 . 1 . . . . 198 ASN H . 15959 1 78 . 1 1 42 42 ASN N N 15 116.187 0.059 . 1 . . . . 198 ASN N . 15959 1 79 . 1 1 43 43 SER H H 1 7.718 0.002 . 1 . . . . 199 SER H . 15959 1 80 . 1 1 43 43 SER N N 15 113.398 0.059 . 1 . . . . 199 SER N . 15959 1 81 . 1 1 44 44 GLU H H 1 8.449 0.002 . 1 . . . . 200 GLU H . 15959 1 82 . 1 1 44 44 GLU N N 15 120.642 0.059 . 1 . . . . 200 GLU N . 15959 1 83 . 1 1 45 45 ALA H H 1 7.985 0.002 . 1 . . . . 201 ALA H . 15959 1 84 . 1 1 45 45 ALA N N 15 122.779 0.059 . 1 . . . . 201 ALA N . 15959 1 85 . 1 1 46 46 ALA H H 1 8.681 0.002 . 1 . . . . 202 ALA H . 15959 1 86 . 1 1 46 46 ALA N N 15 124.236 0.059 . 1 . . . . 202 ALA N . 15959 1 87 . 1 1 47 47 ALA H H 1 9.014 0.002 . 1 . . . . 203 ALA H . 15959 1 88 . 1 1 47 47 ALA N N 15 126.724 0.059 . 1 . . . . 203 ALA N . 15959 1 89 . 1 1 48 48 VAL H H 1 7.387 0.002 . 1 . . . . 204 VAL H . 15959 1 90 . 1 1 48 48 VAL N N 15 114.025 0.059 . 1 . . . . 204 VAL N . 15959 1 91 . 1 1 49 49 VAL H H 1 8.387 0.002 . 1 . . . . 205 VAL H . 15959 1 92 . 1 1 49 49 VAL N N 15 128.12 0.059 . 1 . . . . 205 VAL N . 15959 1 93 . 1 1 50 50 LEU H H 1 9.406 0.002 . 1 . . . . 206 LEU H . 15959 1 94 . 1 1 50 50 LEU N N 15 126.589 0.059 . 1 . . . . 206 LEU N . 15959 1 95 . 1 1 51 51 GLN H H 1 9.045 0.002 . 1 . . . . 207 GLN H . 15959 1 96 . 1 1 51 51 GLN N N 15 122.492 0.059 . 1 . . . . 207 GLN N . 15959 1 97 . 1 1 52 52 LEU H H 1 8.436 0.002 . 1 . . . . 208 LEU H . 15959 1 98 . 1 1 52 52 LEU N N 15 125.392 0.059 . 1 . . . . 208 LEU N . 15959 1 99 . 1 1 53 53 MET H H 1 8.339 0.002 . 1 . . . . 209 MET H . 15959 1 100 . 1 1 53 53 MET N N 15 112.983 0.059 . 1 . . . . 209 MET N . 15959 1 101 . 1 1 54 54 ASN H H 1 7.828 0.002 . 1 . . . . 210 ASN H . 15959 1 102 . 1 1 54 54 ASN N N 15 114.818 0.059 . 1 . . . . 210 ASN N . 15959 1 103 . 1 1 55 55 ILE H H 1 7.603 0.002 . 1 . . . . 211 ILE H . 15959 1 104 . 1 1 55 55 ILE N N 15 121.36 0.059 . 1 . . . . 211 ILE N . 15959 1 105 . 1 1 56 56 ARG H H 1 9.131 0.002 . 1 . . . . 212 ARG H . 15959 1 106 . 1 1 56 56 ARG N N 15 127.36 0.059 . 1 . . . . 212 ARG N . 15959 1 107 . 1 1 57 57 ARG H H 1 7.743 0.002 . 1 . . . . 213 ARG H . 15959 1 108 . 1 1 57 57 ARG N N 15 114.41 0.059 . 1 . . . . 213 ARG N . 15959 1 109 . 1 1 58 58 CYS H H 1 8.527 0.002 . 1 . . . . 214 CYS H . 15959 1 110 . 1 1 58 58 CYS N N 15 116.469 0.059 . 1 . . . . 214 CYS N . 15959 1 111 . 1 1 59 59 GLY H H 1 6.809 0.002 . 1 . . . . 215 GLY H . 15959 1 112 . 1 1 59 59 GLY N N 15 105.402 0.059 . 1 . . . . 215 GLY N . 15959 1 113 . 1 1 60 60 HIS H H 1 8.05 0.002 . 1 . . . . 216 HIS H . 15959 1 114 . 1 1 60 60 HIS N N 15 112.735 0.059 . 1 . . . . 216 HIS N . 15959 1 115 . 1 1 61 61 SER H H 1 8.778 0.002 . 1 . . . . 217 SER H . 15959 1 116 . 1 1 61 61 SER N N 15 116.413 0.059 . 1 . . . . 217 SER N . 15959 1 117 . 1 1 62 62 GLU H H 1 9.45 0.002 . 1 . . . . 218 GLU H . 15959 1 118 . 1 1 62 62 GLU N N 15 125.555 0.059 . 1 . . . . 218 GLU N . 15959 1 119 . 1 1 63 63 ASN H H 1 8.517 0.002 . 1 . . . . 219 ASN H . 15959 1 120 . 1 1 63 63 ASN N N 15 118.443 0.059 . 1 . . . . 219 ASN N . 15959 1 121 . 1 1 64 64 PHE H H 1 8.654 0.002 . 1 . . . . 220 PHE H . 15959 1 122 . 1 1 64 64 PHE N N 15 117.229 0.059 . 1 . . . . 220 PHE N . 15959 1 123 . 1 1 65 65 PHE H H 1 9.398 0.002 . 1 . . . . 221 PHE H . 15959 1 124 . 1 1 65 65 PHE N N 15 122.995 0.059 . 1 . . . . 221 PHE N . 15959 1 125 . 1 1 66 66 PHE H H 1 7.578 0.002 . 1 . . . . 222 PHE H . 15959 1 126 . 1 1 66 66 PHE N N 15 124.054 0.059 . 1 . . . . 222 PHE N . 15959 1 127 . 1 1 67 67 ILE H H 1 8.059 0.002 . 1 . . . . 223 ILE H . 15959 1 128 . 1 1 67 67 ILE N N 15 113.358 0.059 . 1 . . . . 223 ILE N . 15959 1 129 . 1 1 68 68 GLU H H 1 9.023 0.002 . 1 . . . . 224 GLU H . 15959 1 130 . 1 1 68 68 GLU N N 15 125.851 0.059 . 1 . . . . 224 GLU N . 15959 1 131 . 1 1 69 69 VAL H H 1 9.556 0.002 . 1 . . . . 225 VAL H . 15959 1 132 . 1 1 69 69 VAL N N 15 122.536 0.059 . 1 . . . . 225 VAL N . 15959 1 133 . 1 1 70 70 GLY H H 1 8.586 0.002 . 1 . . . . 226 GLY H . 15959 1 134 . 1 1 70 70 GLY N N 15 109.678 0.059 . 1 . . . . 226 GLY N . 15959 1 135 . 1 1 71 71 ARG H H 1 8.424 0.002 . 1 . . . . 227 ARG H . 15959 1 136 . 1 1 71 71 ARG N N 15 115.394 0.059 . 1 . . . . 227 ARG N . 15959 1 137 . 1 1 72 72 SER H H 1 8.294 0.002 . 1 . . . . 228 SER H . 15959 1 138 . 1 1 72 72 SER N N 15 112.781 0.059 . 1 . . . . 228 SER N . 15959 1 139 . 1 1 73 73 ALA H H 1 7.439 0.002 . 1 . . . . 229 ALA H . 15959 1 140 . 1 1 73 73 ALA N N 15 122.552 0.059 . 1 . . . . 229 ALA N . 15959 1 141 . 1 1 74 74 VAL H H 1 8.912 0.002 . 1 . . . . 230 VAL H . 15959 1 142 . 1 1 74 74 VAL N N 15 122.138 0.059 . 1 . . . . 230 VAL N . 15959 1 143 . 1 1 75 75 THR H H 1 6.917 0.002 . 1 . . . . 231 THR H . 15959 1 144 . 1 1 75 75 THR N N 15 106.727 0.059 . 1 . . . . 231 THR N . 15959 1 145 . 1 1 76 76 GLY H H 1 7.67 0.002 . 1 . . . . 232 GLY H . 15959 1 146 . 1 1 76 76 GLY N N 15 109.422 0.059 . 1 . . . . 232 GLY N . 15959 1 147 . 1 1 78 78 GLY H H 1 7.808 0.002 . 1 . . . . 234 GLY H . 15959 1 148 . 1 1 78 78 GLY N N 15 106.689 0.059 . 1 . . . . 234 GLY N . 15959 1 149 . 1 1 79 79 GLU H H 1 8.621 0.002 . 1 . . . . 235 GLU H . 15959 1 150 . 1 1 79 79 GLU N N 15 116.816 0.059 . 1 . . . . 235 GLU N . 15959 1 151 . 1 1 80 80 PHE H H 1 9.016 0.002 . 1 . . . . 236 PHE H . 15959 1 152 . 1 1 80 80 PHE N N 15 118.286 0.059 . 1 . . . . 236 PHE N . 15959 1 153 . 1 1 81 81 TRP H H 1 10.235 0.002 . 1 . . . . 237 TRP H . 15959 1 154 . 1 1 81 81 TRP HE1 H 1 10.647 0.002 . 1 . . . . 237 TRP HE1 . 15959 1 155 . 1 1 81 81 TRP N N 15 123.144 0.059 . 1 . . . . 237 TRP N . 15959 1 156 . 1 1 81 81 TRP NE1 N 15 132.12 0.059 . 1 . . . . 237 TRP NE1 . 15959 1 157 . 1 1 82 82 MET H H 1 9.454 0.002 . 1 . . . . 238 MET H . 15959 1 158 . 1 1 82 82 MET N N 15 119.719 0.059 . 1 . . . . 238 MET N . 15959 1 159 . 1 1 83 83 GLN H H 1 9.536 0.002 . 1 . . . . 239 GLN H . 15959 1 160 . 1 1 83 83 GLN N N 15 124.017 0.059 . 1 . . . . 239 GLN N . 15959 1 161 . 1 1 84 84 VAL H H 1 8.633 0.002 . 1 . . . . 240 VAL H . 15959 1 162 . 1 1 84 84 VAL N N 15 118.979 0.059 . 1 . . . . 240 VAL N . 15959 1 163 . 1 1 85 85 ASP H H 1 8.52 0.002 . 1 . . . . 241 ASP H . 15959 1 164 . 1 1 85 85 ASP N N 15 116.981 0.059 . 1 . . . . 241 ASP N . 15959 1 165 . 1 1 86 86 ASP H H 1 7.212 0.002 . 1 . . . . 242 ASP H . 15959 1 166 . 1 1 86 86 ASP N N 15 109.534 0.059 . 1 . . . . 242 ASP N . 15959 1 167 . 1 1 87 87 SER H H 1 8.626 0.002 . 1 . . . . 243 SER H . 15959 1 168 . 1 1 87 87 SER N N 15 114.253 0.059 . 1 . . . . 243 SER N . 15959 1 169 . 1 1 88 88 VAL H H 1 8.209 0.002 . 1 . . . . 244 VAL H . 15959 1 170 . 1 1 88 88 VAL N N 15 127.138 0.059 . 1 . . . . 244 VAL N . 15959 1 171 . 1 1 89 89 VAL H H 1 8.461 0.002 . 1 . . . . 245 VAL H . 15959 1 172 . 1 1 89 89 VAL N N 15 122.099 0.059 . 1 . . . . 245 VAL N . 15959 1 173 . 1 1 90 90 ALA H H 1 7.258 0.002 . 1 . . . . 246 ALA H . 15959 1 174 . 1 1 90 90 ALA N N 15 120.439 0.059 . 1 . . . . 246 ALA N . 15959 1 175 . 1 1 91 91 GLN H H 1 7.54 0.002 . 1 . . . . 247 GLN H . 15959 1 176 . 1 1 91 91 GLN N N 15 116.622 0.059 . 1 . . . . 247 GLN N . 15959 1 177 . 1 1 92 92 ASN H H 1 8.269 0.002 . 1 . . . . 248 ASN H . 15959 1 178 . 1 1 92 92 ASN N N 15 119.592 0.059 . 1 . . . . 248 ASN N . 15959 1 179 . 1 1 93 93 MET H H 1 8.538 0.002 . 1 . . . . 249 MET H . 15959 1 180 . 1 1 93 93 MET N N 15 122.987 0.059 . 1 . . . . 249 MET N . 15959 1 181 . 1 1 94 94 HIS H H 1 7.229 0.002 . 1 . . . . 250 HIS H . 15959 1 182 . 1 1 94 94 HIS N N 15 117.95 0.059 . 1 . . . . 250 HIS N . 15959 1 183 . 1 1 95 95 GLU H H 1 8.355 0.002 . 1 . . . . 251 GLU H . 15959 1 184 . 1 1 95 95 GLU N N 15 116.508 0.059 . 1 . . . . 251 GLU N . 15959 1 185 . 1 1 96 96 THR H H 1 8.317 0.002 . 1 . . . . 252 THR H . 15959 1 186 . 1 1 96 96 THR N N 15 116.36 0.059 . 1 . . . . 252 THR N . 15959 1 187 . 1 1 97 97 ILE H H 1 8.52 0.002 . 1 . . . . 253 ILE H . 15959 1 188 . 1 1 97 97 ILE N N 15 123.979 0.059 . 1 . . . . 253 ILE N . 15959 1 189 . 1 1 98 98 LEU H H 1 8.305 0.002 . 1 . . . . 254 LEU H . 15959 1 190 . 1 1 98 98 LEU N N 15 120.653 0.059 . 1 . . . . 254 LEU N . 15959 1 191 . 1 1 99 99 GLU H H 1 7.782 0.002 . 1 . . . . 255 GLU H . 15959 1 192 . 1 1 99 99 GLU N N 15 119.008 0.059 . 1 . . . . 255 GLU N . 15959 1 193 . 1 1 100 100 ALA H H 1 7.836 0.002 . 1 . . . . 256 ALA H . 15959 1 194 . 1 1 100 100 ALA N N 15 123.078 0.059 . 1 . . . . 256 ALA N . 15959 1 195 . 1 1 101 101 MET H H 1 8.582 0.002 . 1 . . . . 257 MET H . 15959 1 196 . 1 1 101 101 MET N N 15 118.495 0.059 . 1 . . . . 257 MET N . 15959 1 197 . 1 1 102 102 ARG H H 1 8.327 0.002 . 1 . . . . 258 ARG H . 15959 1 198 . 1 1 102 102 ARG N N 15 120.858 0.059 . 1 . . . . 258 ARG N . 15959 1 199 . 1 1 103 103 ALA H H 1 7.939 0.002 . 1 . . . . 259 ALA H . 15959 1 200 . 1 1 103 103 ALA N N 15 120.655 0.059 . 1 . . . . 259 ALA N . 15959 1 201 . 1 1 104 104 MET H H 1 7.489 0.002 . 1 . . . . 260 MET H . 15959 1 202 . 1 1 104 104 MET N N 15 116.248 0.059 . 1 . . . . 260 MET N . 15959 1 203 . 1 1 105 105 SER H H 1 7.925 0.002 . 1 . . . . 261 SER H . 15959 1 204 . 1 1 105 105 SER N N 15 114.858 0.059 . 1 . . . . 261 SER N . 15959 1 205 . 1 1 106 106 ASP H H 1 8.281 0.002 . 1 . . . . 262 ASP H . 15959 1 206 . 1 1 106 106 ASP N N 15 122.616 0.059 . 1 . . . . 262 ASP N . 15959 1 207 . 1 1 107 107 GLU H H 1 8.11 0.002 . 1 . . . . 263 GLU H . 15959 1 208 . 1 1 107 107 GLU N N 15 119.925 0.059 . 1 . . . . 263 GLU N . 15959 1 209 . 1 1 108 108 PHE H H 1 7.977 0.002 . 1 . . . . 264 PHE H . 15959 1 210 . 1 1 108 108 PHE N N 15 119.13 0.059 . 1 . . . . 264 PHE N . 15959 1 211 . 1 1 109 109 ARG H H 1 7.743 0.002 . 1 . . . . 265 ARG H . 15959 1 212 . 1 1 109 109 ARG N N 15 123.803 0.059 . 1 . . . . 265 ARG N . 15959 1 213 . 1 1 111 111 ARG H H 1 7.994 0.002 . 1 . . . . 267 ARG H . 15959 1 214 . 1 1 111 111 ARG N N 15 126.676 0.059 . 1 . . . . 267 ARG N . 15959 1 stop_ save_