data_15397 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15397 _Entry.Title ; NH, NN, C, CA and CB chemical shift assignment of the transcriptional activation domain 1 of the nuclear hormone receptor coactivator ACTR in the free state ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-07-20 _Entry.Accession_date 2007-07-20 _Entry.Last_release_date 2008-04-04 _Entry.Original_release_date 2008-04-04 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.96 _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 Marc-Olivier Ebert . . . 15397 2 Sung-Hun Bae . . . 15397 3 H. Dyson . Jane . 15397 4 Peter Wright . E. . 15397 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'The Scripps Research Institute' . 15397 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15397 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 182 15397 '15N chemical shifts' 62 15397 '1H chemical shifts' 62 15397 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 1 . . 2008-04-04 2007-07-20 original author . 15397 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15398 'CBP in the free state' 15397 BMRB 5228 'ACTR in complex with the CREB binding protein, CBP' 15397 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15397 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18177052 _Citation.Full_citation . _Citation.Title ; NMR Relaxation Study of the Complex Formed Between CBP and the Activation Domain of the Nuclear Hormone Receptor Coactivator ACTR ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 47 _Citation.Journal_issue 5 _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 1299 _Citation.Page_last 1308 _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 Marc-Olivier Ebert . . . 15397 1 2 Sung-Hun Bae . . . 15397 1 3 H. Dyson . Jane . 15397 1 4 Peter Wright . E. . 15397 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15397 _Assembly.ID 1 _Assembly.Name ACTR _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 ACTR 1 $ACTR A . yes unfolded no no . . . 15397 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ACTR _Entity.Sf_category entity _Entity.Sf_framecode ACTR _Entity.Entry_ID 15397 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ACTR _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 ; GTQNRPLLRNSLDDLVGPPS NLEGQSDERALLDQLHTLLS NTDATGLEEIDRALGIPELV NQGQALEPKQD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _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 71 _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 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 1KBH . "Mutual Synergistic Folding In The Interaction Between Nuclear Receptor Coactivators Cbp And Actr" . . . . . 66.20 47 100.00 100.00 2.27e-22 . . . . 15397 1 2 no DBJ BAD93100 . "nuclear receptor coactivator 3 isoform a variant [Homo sapiens]" . . . . . 100.00 1427 100.00 100.00 1.12e-36 . . . . 15397 1 3 no DBJ BAF82372 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 1424 100.00 100.00 1.22e-36 . . . . 15397 1 4 no DBJ BAG10971 . "nuclear receptor coactivator 3 [synthetic construct]" . . . . . 100.00 1423 100.00 100.00 1.27e-36 . . . . 15397 1 5 no DBJ BAG63847 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 1218 100.00 100.00 7.90e-37 . . . . 15397 1 6 no GB AAB92368 . "nuclear receptor coactivator [Homo sapiens]" . . . . . 100.00 1412 100.00 100.00 1.03e-36 . . . . 15397 1 7 no GB AAC51663 . "receptor-associated coactivator 3 [Homo sapiens]" . . . . . 100.00 1417 100.00 100.00 1.05e-36 . . . . 15397 1 8 no GB AAC51677 . "Amplified in Breast Cancer [Homo sapiens]" . . . . . 100.00 1420 100.00 100.00 1.27e-36 . . . . 15397 1 9 no GB AAC51849 . "thyroid hormone receptor activator molecule [Homo sapiens]" . . . . . 100.00 1424 100.00 100.00 1.20e-36 . . . . 15397 1 10 no GB AAH92516 . "Nuclear receptor coactivator 3 [Homo sapiens]" . . . . . 100.00 1422 100.00 100.00 1.27e-36 . . . . 15397 1 11 no REF NP_001107748 . "nuclear receptor coactivator 3 [Sus scrofa]" . . . . . 100.00 1390 98.59 100.00 4.43e-36 . . . . 15397 1 12 no REF NP_001167558 . "nuclear receptor coactivator 3 isoform c [Homo sapiens]" . . . . . 100.00 1423 100.00 100.00 1.27e-36 . . . . 15397 1 13 no REF NP_001167559 . "nuclear receptor coactivator 3 isoform d [Homo sapiens]" . . . . . 100.00 1415 100.00 100.00 1.09e-36 . . . . 15397 1 14 no REF NP_006525 . "nuclear receptor coactivator 3 isoform b [Homo sapiens]" . . . . . 100.00 1420 100.00 100.00 1.27e-36 . . . . 15397 1 15 no REF NP_858045 . "nuclear receptor coactivator 3 isoform a [Homo sapiens]" . . . . . 100.00 1424 100.00 100.00 1.20e-36 . . . . 15397 1 16 no SP Q9Y6Q9 . "RecName: Full=Nuclear receptor coactivator 3; Short=NCoA-3; AltName: Full=ACTR; AltName: Full=Amplified in breast cancer 1 prot" . . . . . 100.00 1424 100.00 100.00 1.20e-36 . . . . 15397 1 17 no TPG DAA23082 . "TPA: nuclear receptor coactivator 3-like [Bos taurus]" . . . . . 100.00 1411 97.18 100.00 7.88e-36 . . . . 15397 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 1018 GLY . 15397 1 2 1019 THR . 15397 1 3 1020 GLN . 15397 1 4 1021 ASN . 15397 1 5 1022 ARG . 15397 1 6 1023 PRO . 15397 1 7 1024 LEU . 15397 1 8 1025 LEU . 15397 1 9 1026 ARG . 15397 1 10 1027 ASN . 15397 1 11 1028 SER . 15397 1 12 1029 LEU . 15397 1 13 1030 ASP . 15397 1 14 1031 ASP . 15397 1 15 1032 LEU . 15397 1 16 1033 VAL . 15397 1 17 1034 GLY . 15397 1 18 1035 PRO . 15397 1 19 1036 PRO . 15397 1 20 1037 SER . 15397 1 21 1038 ASN . 15397 1 22 1039 LEU . 15397 1 23 1040 GLU . 15397 1 24 1041 GLY . 15397 1 25 1042 GLN . 15397 1 26 1043 SER . 15397 1 27 1044 ASP . 15397 1 28 1045 GLU . 15397 1 29 1046 ARG . 15397 1 30 1047 ALA . 15397 1 31 1048 LEU . 15397 1 32 1049 LEU . 15397 1 33 1050 ASP . 15397 1 34 1051 GLN . 15397 1 35 1052 LEU . 15397 1 36 1053 HIS . 15397 1 37 1054 THR . 15397 1 38 1055 LEU . 15397 1 39 1056 LEU . 15397 1 40 1057 SER . 15397 1 41 1058 ASN . 15397 1 42 1059 THR . 15397 1 43 1060 ASP . 15397 1 44 1061 ALA . 15397 1 45 1062 THR . 15397 1 46 1063 GLY . 15397 1 47 1064 LEU . 15397 1 48 1065 GLU . 15397 1 49 1066 GLU . 15397 1 50 1067 ILE . 15397 1 51 1068 ASP . 15397 1 52 1069 ARG . 15397 1 53 1070 ALA . 15397 1 54 1071 LEU . 15397 1 55 1072 GLY . 15397 1 56 1073 ILE . 15397 1 57 1074 PRO . 15397 1 58 1075 GLU . 15397 1 59 1076 LEU . 15397 1 60 1077 VAL . 15397 1 61 1078 ASN . 15397 1 62 1079 GLN . 15397 1 63 1080 GLY . 15397 1 64 1081 GLN . 15397 1 65 1082 ALA . 15397 1 66 1083 LEU . 15397 1 67 1084 GLU . 15397 1 68 1085 PRO . 15397 1 69 1086 LYS . 15397 1 70 1087 GLN . 15397 1 71 1088 ASP . 15397 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 15397 1 . THR 2 2 15397 1 . GLN 3 3 15397 1 . ASN 4 4 15397 1 . ARG 5 5 15397 1 . PRO 6 6 15397 1 . LEU 7 7 15397 1 . LEU 8 8 15397 1 . ARG 9 9 15397 1 . ASN 10 10 15397 1 . SER 11 11 15397 1 . LEU 12 12 15397 1 . ASP 13 13 15397 1 . ASP 14 14 15397 1 . LEU 15 15 15397 1 . VAL 16 16 15397 1 . GLY 17 17 15397 1 . PRO 18 18 15397 1 . PRO 19 19 15397 1 . SER 20 20 15397 1 . ASN 21 21 15397 1 . LEU 22 22 15397 1 . GLU 23 23 15397 1 . GLY 24 24 15397 1 . GLN 25 25 15397 1 . SER 26 26 15397 1 . ASP 27 27 15397 1 . GLU 28 28 15397 1 . ARG 29 29 15397 1 . ALA 30 30 15397 1 . LEU 31 31 15397 1 . LEU 32 32 15397 1 . ASP 33 33 15397 1 . GLN 34 34 15397 1 . LEU 35 35 15397 1 . HIS 36 36 15397 1 . THR 37 37 15397 1 . LEU 38 38 15397 1 . LEU 39 39 15397 1 . SER 40 40 15397 1 . ASN 41 41 15397 1 . THR 42 42 15397 1 . ASP 43 43 15397 1 . ALA 44 44 15397 1 . THR 45 45 15397 1 . GLY 46 46 15397 1 . LEU 47 47 15397 1 . GLU 48 48 15397 1 . GLU 49 49 15397 1 . ILE 50 50 15397 1 . ASP 51 51 15397 1 . ARG 52 52 15397 1 . ALA 53 53 15397 1 . LEU 54 54 15397 1 . GLY 55 55 15397 1 . ILE 56 56 15397 1 . PRO 57 57 15397 1 . GLU 58 58 15397 1 . LEU 59 59 15397 1 . VAL 60 60 15397 1 . ASN 61 61 15397 1 . GLN 62 62 15397 1 . GLY 63 63 15397 1 . GLN 64 64 15397 1 . ALA 65 65 15397 1 . LEU 66 66 15397 1 . GLU 67 67 15397 1 . PRO 68 68 15397 1 . LYS 69 69 15397 1 . GLN 70 70 15397 1 . ASP 71 71 15397 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 15397 _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 $ACTR . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 15397 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 15397 _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 $ACTR . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET22b . . . . . . 15397 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15397 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 ACTR '[U-98% 13C; U-98% 15N]' . . 1 $ACTR . . 1 . . mM . . . . 15397 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15397 _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 15397 1 pH 6.7 . pH 15397 1 pressure 1 . atm 15397 1 temperature 304.15 . K 15397 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 15397 _Software.ID 1 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 15397 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15397 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 15397 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15397 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 15397 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 15397 _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 Bruker DRX . 750 . . . 15397 1 2 spectrometer_2 Bruker DRX . 600 . . . 15397 1 3 spectrometer_3 Bruker DRX . 500 . . . 15397 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 15397 _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 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15397 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15397 1 3 '3D (HCA)CO(CA)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15397 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15397 1 5 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15397 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15397 _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 C 13 water protons . . . . ppm 4.715615 internal indirect 0.251449530 . . . . . . . . . 15397 1 H 1 water protons . . . . ppm 4.715615 internal direct 1 . . . . . . . . . 15397 1 N 15 water protons . . . . ppm 4.715615 internal indirect 0.101329118 . . . . . . . . . 15397 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_NH_NN_C_CA_and_CB_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode NH_NN_C_CA_and_CB_shifts _Assigned_chem_shift_list.Entry_ID 15397 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_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' . . . 15397 1 2 '3D CBCA(CO)NH' . . . 15397 1 3 '3D (HCA)CO(CA)NH' . . . 15397 1 4 '3D HNCO' . . . 15397 1 5 '2D 1H-15N HSQC' . . . 15397 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 4 4 ASN C C 13 174.546 . . . . . . . 1021 ASN C . 15397 1 2 . 1 1 4 4 ASN CA C 13 53.353 . . . . . . . 1021 ASN CA . 15397 1 3 . 1 1 4 4 ASN CB C 13 39.17 . . . . . . . 1021 ASN CB . 15397 1 4 . 1 1 5 5 ARG H H 1 8.109 . . . . . . . 1022 ARG HN . 15397 1 5 . 1 1 5 5 ARG N N 15 122.096 . . . . . . . 1022 ARG NN . 15397 1 6 . 1 1 6 6 PRO C C 13 176.423 . . . . . . . 1023 PRO C . 15397 1 7 . 1 1 6 6 PRO CA C 13 63.144 . . . . . . . 1023 PRO CA . 15397 1 8 . 1 1 6 6 PRO CB C 13 32.198 . . . . . . . 1023 PRO CB . 15397 1 9 . 1 1 7 7 LEU H H 1 8.168 . . . . . . . 1024 LEU HN . 15397 1 10 . 1 1 7 7 LEU C C 13 176.97 . . . . . . . 1024 LEU C . 15397 1 11 . 1 1 7 7 LEU CA C 13 55.203 . . . . . . . 1024 LEU CA . 15397 1 12 . 1 1 7 7 LEU CB C 13 42.454 . . . . . . . 1024 LEU CB . 15397 1 13 . 1 1 7 7 LEU N N 15 122.096 . . . . . . . 1024 LEU NN . 15397 1 14 . 1 1 8 8 LEU H H 1 8.052 . . . . . . . 1025 LEU HN . 15397 1 15 . 1 1 8 8 LEU C C 13 176.858 . . . . . . . 1025 LEU C . 15397 1 16 . 1 1 8 8 LEU CA C 13 54.818 . . . . . . . 1025 LEU CA . 15397 1 17 . 1 1 8 8 LEU CB C 13 42.526 . . . . . . . 1025 LEU CB . 15397 1 18 . 1 1 8 8 LEU N N 15 123.208 . . . . . . . 1025 LEU NN . 15397 1 19 . 1 1 9 9 ARG H H 1 8.2 . . . . . . . 1026 ARG HN . 15397 1 20 . 1 1 9 9 ARG C C 13 175.731 . . . . . . . 1026 ARG C . 15397 1 21 . 1 1 9 9 ARG CA C 13 55.911 . . . . . . . 1026 ARG CA . 15397 1 22 . 1 1 9 9 ARG CB C 13 30.91 . . . . . . . 1026 ARG CB . 15397 1 23 . 1 1 9 9 ARG N N 15 121.54 . . . . . . . 1026 ARG NN . 15397 1 24 . 1 1 10 10 ASN H H 1 8.411 . . . . . . . 1027 ASN HN . 15397 1 25 . 1 1 10 10 ASN C C 13 175.163 . . . . . . . 1027 ASN C . 15397 1 26 . 1 1 10 10 ASN CA C 13 53.336 . . . . . . . 1027 ASN CA . 15397 1 27 . 1 1 10 10 ASN CB C 13 39.187 . . . . . . . 1027 ASN CB . 15397 1 28 . 1 1 10 10 ASN N N 15 119.871 . . . . . . . 1027 ASN NN . 15397 1 29 . 1 1 11 11 SER H H 1 8.194 . . . . . . . 1028 SER HN . 15397 1 30 . 1 1 11 11 SER C C 13 174.671 . . . . . . . 1028 SER C . 15397 1 31 . 1 1 11 11 SER CA C 13 58.62 . . . . . . . 1028 SER CA . 15397 1 32 . 1 1 11 11 SER CB C 13 63.775 . . . . . . . 1028 SER CB . 15397 1 33 . 1 1 11 11 SER N N 15 115.979 . . . . . . . 1028 SER NN . 15397 1 34 . 1 1 12 12 LEU H H 1 8.194 . . . . . . . 1029 LEU HN . 15397 1 35 . 1 1 12 12 LEU C C 13 177.346 . . . . . . . 1029 LEU C . 15397 1 36 . 1 1 12 12 LEU CA C 13 55.74 . . . . . . . 1029 LEU CA . 15397 1 37 . 1 1 12 12 LEU CB C 13 41.952 . . . . . . . 1029 LEU CB . 15397 1 38 . 1 1 12 12 LEU N N 15 123.208 . . . . . . . 1029 LEU NN . 15397 1 39 . 1 1 13 13 ASP H H 1 7.971 . . . . . . . 1030 ASP HN . 15397 1 40 . 1 1 13 13 ASP C C 13 176.023 . . . . . . . 1030 ASP C . 15397 1 41 . 1 1 13 13 ASP CA C 13 54.895 . . . . . . . 1030 ASP CA . 15397 1 42 . 1 1 13 13 ASP CB C 13 41.238 . . . . . . . 1030 ASP CB . 15397 1 43 . 1 1 13 13 ASP N N 15 119.315 . . . . . . . 1030 ASP NN . 15397 1 44 . 1 1 14 14 ASP H H 1 7.931 . . . . . . . 1031 ASP HN . 15397 1 45 . 1 1 14 14 ASP C C 13 176.078 . . . . . . . 1031 ASP C . 15397 1 46 . 1 1 14 14 ASP CA C 13 54.625 . . . . . . . 1031 ASP CA . 15397 1 47 . 1 1 14 14 ASP CB C 13 41.202 . . . . . . . 1031 ASP CB . 15397 1 48 . 1 1 14 14 ASP N N 15 119.593 . . . . . . . 1031 ASP NN . 15397 1 49 . 1 1 15 15 LEU H H 1 7.918 . . . . . . . 1032 LEU HN . 15397 1 50 . 1 1 15 15 LEU C C 13 177.802 . . . . . . . 1032 LEU C . 15397 1 51 . 1 1 15 15 LEU CA C 13 55.552 . . . . . . . 1032 LEU CA . 15397 1 52 . 1 1 15 15 LEU CB C 13 42.3 . . . . . . . 1032 LEU CB . 15397 1 53 . 1 1 15 15 LEU N N 15 121.54 . . . . . . . 1032 LEU NN . 15397 1 54 . 1 1 16 16 VAL H H 1 7.869 . . . . . . . 1033 VAL HN . 15397 1 55 . 1 1 16 16 VAL C C 13 176.15 . . . . . . . 1033 VAL C . 15397 1 56 . 1 1 16 16 VAL CA C 13 62.39 . . . . . . . 1033 VAL CA . 15397 1 57 . 1 1 16 16 VAL CB C 13 32.816 . . . . . . . 1033 VAL CB . 15397 1 58 . 1 1 16 16 VAL N N 15 119.871 . . . . . . . 1033 VAL NN . 15397 1 59 . 1 1 17 17 GLY H H 1 8.064 . . . . . . . 1034 GLY HN . 15397 1 60 . 1 1 17 17 GLY N N 15 112.086 . . . . . . . 1034 GLY NN . 15397 1 61 . 1 1 19 19 PRO C C 13 176.959 . . . . . . . 1036 PRO C . 15397 1 62 . 1 1 19 19 PRO CA C 13 63.109 . . . . . . . 1036 PRO CA . 15397 1 63 . 1 1 19 19 PRO CB C 13 32.028 . . . . . . . 1036 PRO CB . 15397 1 64 . 1 1 20 20 SER H H 1 8.277 . . . . . . . 1037 SER HN . 15397 1 65 . 1 1 20 20 SER C C 13 174.319 . . . . . . . 1037 SER C . 15397 1 66 . 1 1 20 20 SER CA C 13 58.45 . . . . . . . 1037 SER CA . 15397 1 67 . 1 1 20 20 SER CB C 13 63.82 . . . . . . . 1037 SER CB . 15397 1 68 . 1 1 20 20 SER N N 15 115.701 . . . . . . . 1037 SER NN . 15397 1 69 . 1 1 21 21 ASN H H 1 8.312 . . . . . . . 1038 ASN HN . 15397 1 70 . 1 1 21 21 ASN C C 13 175.072 . . . . . . . 1038 ASN C . 15397 1 71 . 1 1 21 21 ASN CA C 13 53.276 . . . . . . . 1038 ASN CA . 15397 1 72 . 1 1 21 21 ASN CB C 13 38.869 . . . . . . . 1038 ASN CB . 15397 1 73 . 1 1 21 21 ASN N N 15 120.149 . . . . . . . 1038 ASN NN . 15397 1 74 . 1 1 22 22 LEU H H 1 8.089 . . . . . . . 1039 LEU HN . 15397 1 75 . 1 1 22 22 LEU C C 13 177.413 . . . . . . . 1039 LEU C . 15397 1 76 . 1 1 22 22 LEU CA C 13 55.449 . . . . . . . 1039 LEU CA . 15397 1 77 . 1 1 22 22 LEU CB C 13 42.308 . . . . . . . 1039 LEU CB . 15397 1 78 . 1 1 22 22 LEU N N 15 122.096 . . . . . . . 1039 LEU NN . 15397 1 79 . 1 1 23 23 GLU H H 1 8.229 . . . . . . . 1040 GLU HN . 15397 1 80 . 1 1 23 23 GLU C C 13 177.043 . . . . . . . 1040 GLU C . 15397 1 81 . 1 1 23 23 GLU CA C 13 56.924 . . . . . . . 1040 GLU CA . 15397 1 82 . 1 1 23 23 GLU CB C 13 30.239 . . . . . . . 1040 GLU CB . 15397 1 83 . 1 1 23 23 GLU N N 15 120.983 . . . . . . . 1040 GLU NN . 15397 1 84 . 1 1 24 24 GLY H H 1 8.276 . . . . . . . 1041 GLY HN . 15397 1 85 . 1 1 24 24 GLY C C 13 174.149 . . . . . . . 1041 GLY C . 15397 1 86 . 1 1 24 24 GLY CA C 13 45.507 . . . . . . . 1041 GLY CA . 15397 1 87 . 1 1 24 24 GLY N N 15 109.584 . . . . . . . 1041 GLY NN . 15397 1 88 . 1 1 25 25 GLN H H 1 8.055 . . . . . . . 1042 GLN HN . 15397 1 89 . 1 1 25 25 GLN C C 13 176.009 . . . . . . . 1042 GLN C . 15397 1 90 . 1 1 25 25 GLN CA C 13 55.767 . . . . . . . 1042 GLN CA . 15397 1 91 . 1 1 25 25 GLN CB C 13 29.604 . . . . . . . 1042 GLN CB . 15397 1 92 . 1 1 25 25 GLN N N 15 119.593 . . . . . . . 1042 GLN NN . 15397 1 93 . 1 1 26 26 SER H H 1 8.277 . . . . . . . 1043 SER HN . 15397 1 94 . 1 1 26 26 SER C C 13 174.233 . . . . . . . 1043 SER C . 15397 1 95 . 1 1 26 26 SER CA C 13 58.476 . . . . . . . 1043 SER CA . 15397 1 96 . 1 1 26 26 SER CB C 13 63.799 . . . . . . . 1043 SER CB . 15397 1 97 . 1 1 26 26 SER N N 15 116.813 . . . . . . . 1043 SER NN . 15397 1 98 . 1 1 27 27 ASP H H 1 8.285 . . . . . . . 1044 ASP HN . 15397 1 99 . 1 1 27 27 ASP C C 13 176.563 . . . . . . . 1044 ASP C . 15397 1 100 . 1 1 27 27 ASP CA C 13 54.375 . . . . . . . 1044 ASP CA . 15397 1 101 . 1 1 27 27 ASP CB C 13 41.233 . . . . . . . 1044 ASP CB . 15397 1 102 . 1 1 27 27 ASP N N 15 122.652 . . . . . . . 1044 ASP NN . 15397 1 103 . 1 1 28 28 GLU H H 1 8.372 . . . . . . . 1045 GLU HN . 15397 1 104 . 1 1 28 28 GLU C C 13 177.19 . . . . . . . 1045 GLU C . 15397 1 105 . 1 1 28 28 GLU CA C 13 57.818 . . . . . . . 1045 GLU CA . 15397 1 106 . 1 1 28 28 GLU CB C 13 29.945 . . . . . . . 1045 GLU CB . 15397 1 107 . 1 1 28 28 GLU N N 15 121.818 . . . . . . . 1045 GLU NN . 15397 1 108 . 1 1 29 29 ARG H H 1 8.111 . . . . . . . 1046 ARG HN . 15397 1 109 . 1 1 29 29 ARG C C 13 176.775 . . . . . . . 1046 ARG C . 15397 1 110 . 1 1 29 29 ARG CA C 13 57.181 . . . . . . . 1046 ARG CA . 15397 1 111 . 1 1 29 29 ARG CB C 13 30.382 . . . . . . . 1046 ARG CB . 15397 1 112 . 1 1 29 29 ARG N N 15 120.705 . . . . . . . 1046 ARG NN . 15397 1 113 . 1 1 30 30 ALA H H 1 7.967 . . . . . . . 1047 ALA HN . 15397 1 114 . 1 1 30 30 ALA C C 13 178.464 . . . . . . . 1047 ALA C . 15397 1 115 . 1 1 30 30 ALA CA C 13 53.433 . . . . . . . 1047 ALA CA . 15397 1 116 . 1 1 30 30 ALA CB C 13 19.157 . . . . . . . 1047 ALA CB . 15397 1 117 . 1 1 30 30 ALA N N 15 122.93 . . . . . . . 1047 ALA NN . 15397 1 118 . 1 1 31 31 LEU H H 1 7.821 . . . . . . . 1048 LEU HN . 15397 1 119 . 1 1 31 31 LEU C C 13 177.988 . . . . . . . 1048 LEU C . 15397 1 120 . 1 1 31 31 LEU CA C 13 56.099 . . . . . . . 1048 LEU CA . 15397 1 121 . 1 1 31 31 LEU CB C 13 42.042 . . . . . . . 1048 LEU CB . 15397 1 122 . 1 1 31 31 LEU N N 15 119.593 . . . . . . . 1048 LEU NN . 15397 1 123 . 1 1 32 32 LEU H H 1 7.853 . . . . . . . 1049 LEU HN . 15397 1 124 . 1 1 32 32 LEU C C 13 177.815 . . . . . . . 1049 LEU C . 15397 1 125 . 1 1 32 32 LEU CA C 13 56.125 . . . . . . . 1049 LEU CA . 15397 1 126 . 1 1 32 32 LEU CB C 13 42.131 . . . . . . . 1049 LEU CB . 15397 1 127 . 1 1 32 32 LEU N N 15 120.983 . . . . . . . 1049 LEU NN . 15397 1 128 . 1 1 33 33 ASP H H 1 8.055 . . . . . . . 1050 ASP HN . 15397 1 129 . 1 1 33 33 ASP C C 13 177.027 . . . . . . . 1050 ASP C . 15397 1 130 . 1 1 33 33 ASP CA C 13 55.261 . . . . . . . 1050 ASP CA . 15397 1 131 . 1 1 33 33 ASP CB C 13 41.046 . . . . . . . 1050 ASP CB . 15397 1 132 . 1 1 33 33 ASP N N 15 119.871 . . . . . . . 1050 ASP NN . 15397 1 133 . 1 1 34 34 GLN H H 1 7.995 . . . . . . . 1051 GLN HN . 15397 1 134 . 1 1 34 34 GLN C C 13 176.666 . . . . . . . 1051 GLN C . 15397 1 135 . 1 1 34 34 GLN CA C 13 56.695 . . . . . . . 1051 GLN CA . 15397 1 136 . 1 1 34 34 GLN CB C 13 29.187 . . . . . . . 1051 GLN CB . 15397 1 137 . 1 1 34 34 GLN N N 15 119.593 . . . . . . . 1051 GLN NN . 15397 1 138 . 1 1 35 35 LEU H H 1 7.981 . . . . . . . 1052 LEU HN . 15397 1 139 . 1 1 35 35 LEU C C 13 177.606 . . . . . . . 1052 LEU C . 15397 1 140 . 1 1 35 35 LEU CA C 13 56.154 . . . . . . . 1052 LEU CA . 15397 1 141 . 1 1 35 35 LEU CB C 13 42.101 . . . . . . . 1052 LEU CB . 15397 1 142 . 1 1 35 35 LEU N N 15 120.983 . . . . . . . 1052 LEU NN . 15397 1 143 . 1 1 36 36 HIS H H 1 8.113 . . . . . . . 1053 HIS HN . 15397 1 144 . 1 1 36 36 HIS C C 13 175.461 . . . . . . . 1053 HIS C . 15397 1 145 . 1 1 36 36 HIS CA C 13 56.497 . . . . . . . 1053 HIS CA . 15397 1 146 . 1 1 36 36 HIS CB C 13 29.555 . . . . . . . 1053 HIS CB . 15397 1 147 . 1 1 36 36 HIS N N 15 117.925 . . . . . . . 1053 HIS NN . 15397 1 148 . 1 1 37 37 THR H H 1 7.879 . . . . . . . 1054 THR HN . 15397 1 149 . 1 1 37 37 THR C C 13 174.521 . . . . . . . 1054 THR C . 15397 1 150 . 1 1 37 37 THR CA C 13 62.824 . . . . . . . 1054 THR CA . 15397 1 151 . 1 1 37 37 THR CB C 13 69.711 . . . . . . . 1054 THR CB . 15397 1 152 . 1 1 37 37 THR N N 15 114.867 . . . . . . . 1054 THR NN . 15397 1 153 . 1 1 38 38 LEU H H 1 8.026 . . . . . . . 1055 LEU HN . 15397 1 154 . 1 1 38 38 LEU C C 13 177.379 . . . . . . . 1055 LEU C . 15397 1 155 . 1 1 38 38 LEU CA C 13 55.698 . . . . . . . 1055 LEU CA . 15397 1 156 . 1 1 38 38 LEU CB C 13 42.313 . . . . . . . 1055 LEU CB . 15397 1 157 . 1 1 38 38 LEU N N 15 124.042 . . . . . . . 1055 LEU NN . 15397 1 158 . 1 1 39 39 LEU H H 1 8.022 . . . . . . . 1056 LEU HN . 15397 1 159 . 1 1 39 39 LEU C C 13 177.317 . . . . . . . 1056 LEU C . 15397 1 160 . 1 1 39 39 LEU CA C 13 55.26 . . . . . . . 1056 LEU CA . 15397 1 161 . 1 1 39 39 LEU CB C 13 42.365 . . . . . . . 1056 LEU CB . 15397 1 162 . 1 1 39 39 LEU N N 15 121.818 . . . . . . . 1056 LEU NN . 15397 1 163 . 1 1 40 40 SER H H 1 8.027 . . . . . . . 1057 SER HN . 15397 1 164 . 1 1 40 40 SER C C 13 174.207 . . . . . . . 1057 SER C . 15397 1 165 . 1 1 40 40 SER CA C 13 58.407 . . . . . . . 1057 SER CA . 15397 1 166 . 1 1 40 40 SER CB C 13 63.756 . . . . . . . 1057 SER CB . 15397 1 167 . 1 1 40 40 SER N N 15 115.701 . . . . . . . 1057 SER NN . 15397 1 168 . 1 1 41 41 ASN H H 1 8.264 . . . . . . . 1058 ASN HN . 15397 1 169 . 1 1 41 41 ASN C C 13 175.395 . . . . . . . 1058 ASN C . 15397 1 170 . 1 1 41 41 ASN CA C 13 53.442 . . . . . . . 1058 ASN CA . 15397 1 171 . 1 1 41 41 ASN CB C 13 39.04 . . . . . . . 1058 ASN CB . 15397 1 172 . 1 1 41 41 ASN N N 15 120.427 . . . . . . . 1058 ASN NN . 15397 1 173 . 1 1 42 42 THR H H 1 8.009 . . . . . . . 1059 THR HN . 15397 1 174 . 1 1 42 42 THR C C 13 174.242 . . . . . . . 1059 THR C . 15397 1 175 . 1 1 42 42 THR CA C 13 61.97 . . . . . . . 1059 THR CA . 15397 1 176 . 1 1 42 42 THR CB C 13 69.733 . . . . . . . 1059 THR CB . 15397 1 177 . 1 1 42 42 THR N N 15 113.754 . . . . . . . 1059 THR NN . 15397 1 178 . 1 1 43 43 ASP H H 1 8.177 . . . . . . . 1060 ASP HN . 15397 1 179 . 1 1 43 43 ASP C C 13 175.947 . . . . . . . 1060 ASP C . 15397 1 180 . 1 1 43 43 ASP CA C 13 54.37 . . . . . . . 1060 ASP CA . 15397 1 181 . 1 1 43 43 ASP CB C 13 41.262 . . . . . . . 1060 ASP CB . 15397 1 182 . 1 1 43 43 ASP N N 15 122.374 . . . . . . . 1060 ASP NN . 15397 1 183 . 1 1 44 44 ALA H H 1 8.118 . . . . . . . 1061 ALA HN . 15397 1 184 . 1 1 44 44 ALA C C 13 177.978 . . . . . . . 1061 ALA C . 15397 1 185 . 1 1 44 44 ALA CA C 13 52.763 . . . . . . . 1061 ALA CA . 15397 1 186 . 1 1 44 44 ALA CB C 13 19.157 . . . . . . . 1061 ALA CB . 15397 1 187 . 1 1 44 44 ALA N N 15 124.32 . . . . . . . 1061 ALA NN . 15397 1 188 . 1 1 45 45 THR H H 1 8.158 . . . . . . . 1062 THR HN . 15397 1 189 . 1 1 45 45 THR C C 13 175.46 . . . . . . . 1062 THR C . 15397 1 190 . 1 1 45 45 THR CA C 13 62.698 . . . . . . . 1062 THR CA . 15397 1 191 . 1 1 45 45 THR CB C 13 69.918 . . . . . . . 1062 THR CB . 15397 1 192 . 1 1 45 45 THR N N 15 112.642 . . . . . . . 1062 THR NN . 15397 1 193 . 1 1 46 46 GLY H H 1 8.337 . . . . . . . 1063 GLY HN . 15397 1 194 . 1 1 46 46 GLY C C 13 174.235 . . . . . . . 1063 GLY C . 15397 1 195 . 1 1 46 46 GLY CA C 13 45.576 . . . . . . . 1063 GLY CA . 15397 1 196 . 1 1 46 46 GLY N N 15 110.974 . . . . . . . 1063 GLY NN . 15397 1 197 . 1 1 47 47 LEU H H 1 7.935 . . . . . . . 1064 LEU HN . 15397 1 198 . 1 1 47 47 LEU C C 13 177.44 . . . . . . . 1064 LEU C . 15397 1 199 . 1 1 47 47 LEU CA C 13 55.314 . . . . . . . 1064 LEU CA . 15397 1 200 . 1 1 47 47 LEU CB C 13 42.482 . . . . . . . 1064 LEU CB . 15397 1 201 . 1 1 47 47 LEU N N 15 121.262 . . . . . . . 1064 LEU NN . 15397 1 202 . 1 1 48 48 GLU H H 1 8.385 . . . . . . . 1065 GLU HN . 15397 1 203 . 1 1 48 48 GLU C C 13 176.614 . . . . . . . 1065 GLU C . 15397 1 204 . 1 1 48 48 GLU CA C 13 57.099 . . . . . . . 1065 GLU CA . 15397 1 205 . 1 1 48 48 GLU CB C 13 30.311 . . . . . . . 1065 GLU CB . 15397 1 206 . 1 1 48 48 GLU N N 15 120.983 . . . . . . . 1065 GLU NN . 15397 1 207 . 1 1 49 49 GLU H H 1 8.243 . . . . . . . 1066 GLU HN . 15397 1 208 . 1 1 49 49 GLU C C 13 176.676 . . . . . . . 1066 GLU C . 15397 1 209 . 1 1 49 49 GLU CA C 13 56.712 . . . . . . . 1066 GLU CA . 15397 1 210 . 1 1 49 49 GLU CB C 13 30.283 . . . . . . . 1066 GLU CB . 15397 1 211 . 1 1 49 49 GLU N N 15 121.262 . . . . . . . 1066 GLU NN . 15397 1 212 . 1 1 50 50 ILE H H 1 7.863 . . . . . . . 1067 ILE HN . 15397 1 213 . 1 1 50 50 ILE C C 13 175.941 . . . . . . . 1067 ILE C . 15397 1 214 . 1 1 50 50 ILE CA C 13 61.442 . . . . . . . 1067 ILE CA . 15397 1 215 . 1 1 50 50 ILE CB C 13 38.932 . . . . . . . 1067 ILE CB . 15397 1 216 . 1 1 50 50 ILE N N 15 120.983 . . . . . . . 1067 ILE NN . 15397 1 217 . 1 1 51 51 ASP H H 1 8.19 . . . . . . . 1068 ASP HN . 15397 1 218 . 1 1 51 51 ASP C C 13 176.666 . . . . . . . 1068 ASP C . 15397 1 219 . 1 1 51 51 ASP CA C 13 54.726 . . . . . . . 1068 ASP CA . 15397 1 220 . 1 1 51 51 ASP CB C 13 41.086 . . . . . . . 1068 ASP CB . 15397 1 221 . 1 1 51 51 ASP N N 15 123.208 . . . . . . . 1068 ASP NN . 15397 1 222 . 1 1 52 52 ARG H H 1 8.058 . . . . . . . 1069 ARG HN . 15397 1 223 . 1 1 52 52 ARG C C 13 176.401 . . . . . . . 1069 ARG C . 15397 1 224 . 1 1 52 52 ARG CA C 13 56.596 . . . . . . . 1069 ARG CA . 15397 1 225 . 1 1 52 52 ARG CB C 13 30.638 . . . . . . . 1069 ARG CB . 15397 1 226 . 1 1 52 52 ARG N N 15 121.818 . . . . . . . 1069 ARG NN . 15397 1 227 . 1 1 53 53 ALA H H 1 8.14 . . . . . . . 1070 ALA HN . 15397 1 228 . 1 1 53 53 ALA C C 13 177.239 . . . . . . . 1070 ALA C . 15397 1 229 . 1 1 53 53 ALA CA C 13 52.897 . . . . . . . 1070 ALA CA . 15397 1 230 . 1 1 53 53 ALA CB C 13 19.157 . . . . . . . 1070 ALA CB . 15397 1 231 . 1 1 53 53 ALA N N 15 123.764 . . . . . . . 1070 ALA NN . 15397 1 232 . 1 1 54 54 LEU H H 1 7.865 . . . . . . . 1071 LEU HN . 15397 1 233 . 1 1 54 54 LEU C C 13 177.803 . . . . . . . 1071 LEU C . 15397 1 234 . 1 1 54 54 LEU CA C 13 55.314 . . . . . . . 1071 LEU CA . 15397 1 235 . 1 1 54 54 LEU CB C 13 42.551 . . . . . . . 1071 LEU CB . 15397 1 236 . 1 1 54 54 LEU N N 15 119.871 . . . . . . . 1071 LEU NN . 15397 1 237 . 1 1 55 55 GLY H H 1 8.063 . . . . . . . 1072 GLY HN . 15397 1 238 . 1 1 55 55 GLY C C 13 173.589 . . . . . . . 1072 GLY C . 15397 1 239 . 1 1 55 55 GLY CA C 13 45.347 . . . . . . . 1072 GLY CA . 15397 1 240 . 1 1 55 55 GLY N N 15 108.471 . . . . . . . 1072 GLY NN . 15397 1 241 . 1 1 56 56 ILE H H 1 7.8 . . . . . . . 1073 ILE HN . 15397 1 242 . 1 1 56 56 ILE N N 15 121.262 . . . . . . . 1073 ILE NN . 15397 1 243 . 1 1 57 57 PRO C C 13 176.849 . . . . . . . 1074 PRO C . 15397 1 244 . 1 1 57 57 PRO CA C 13 63.558 . . . . . . . 1074 PRO CA . 15397 1 245 . 1 1 57 57 PRO CB C 13 32.214 . . . . . . . 1074 PRO CB . 15397 1 246 . 1 1 58 58 GLU H H 1 8.331 . . . . . . . 1075 GLU HN . 15397 1 247 . 1 1 58 58 GLU C C 13 176.455 . . . . . . . 1075 GLU C . 15397 1 248 . 1 1 58 58 GLU CA C 13 56.853 . . . . . . . 1075 GLU CA . 15397 1 249 . 1 1 58 58 GLU CB C 13 30.359 . . . . . . . 1075 GLU CB . 15397 1 250 . 1 1 58 58 GLU N N 15 120.149 . . . . . . . 1075 GLU NN . 15397 1 251 . 1 1 59 59 LEU H H 1 8.05 . . . . . . . 1076 LEU HN . 15397 1 252 . 1 1 59 59 LEU C C 13 177.28 . . . . . . . 1076 LEU C . 15397 1 253 . 1 1 59 59 LEU CA C 13 55.26 . . . . . . . 1076 LEU CA . 15397 1 254 . 1 1 59 59 LEU CB C 13 42.436 . . . . . . . 1076 LEU CB . 15397 1 255 . 1 1 59 59 LEU N N 15 122.652 . . . . . . . 1076 LEU NN . 15397 1 256 . 1 1 60 60 VAL H H 1 7.912 . . . . . . . 1077 VAL HN . 15397 1 257 . 1 1 60 60 VAL C C 13 175.918 . . . . . . . 1077 VAL C . 15397 1 258 . 1 1 60 60 VAL CA C 13 62.628 . . . . . . . 1077 VAL CA . 15397 1 259 . 1 1 60 60 VAL CB C 13 32.778 . . . . . . . 1077 VAL CB . 15397 1 260 . 1 1 60 60 VAL N N 15 120.427 . . . . . . . 1077 VAL NN . 15397 1 261 . 1 1 61 61 ASN H H 1 8.361 . . . . . . . 1078 ASN HN . 15397 1 262 . 1 1 61 61 ASN C C 13 175.174 . . . . . . . 1078 ASN C . 15397 1 263 . 1 1 61 61 ASN CA C 13 53.396 . . . . . . . 1078 ASN CA . 15397 1 264 . 1 1 61 61 ASN CB C 13 38.883 . . . . . . . 1078 ASN CB . 15397 1 265 . 1 1 61 61 ASN N N 15 121.818 . . . . . . . 1078 ASN NN . 15397 1 266 . 1 1 62 62 GLN H H 1 8.271 . . . . . . . 1079 GLN HN . 15397 1 267 . 1 1 62 62 GLN C C 13 176.399 . . . . . . . 1079 GLN C . 15397 1 268 . 1 1 62 62 GLN CA C 13 56.278 . . . . . . . 1079 GLN CA . 15397 1 269 . 1 1 62 62 GLN CB C 13 29.421 . . . . . . . 1079 GLN CB . 15397 1 270 . 1 1 62 62 GLN N N 15 120.705 . . . . . . . 1079 GLN NN . 15397 1 271 . 1 1 63 63 GLY H H 1 8.3 . . . . . . . 1080 GLY HN . 15397 1 272 . 1 1 63 63 GLY C C 13 174.041 . . . . . . . 1080 GLY C . 15397 1 273 . 1 1 63 63 GLY CA C 13 45.494 . . . . . . . 1080 GLY CA . 15397 1 274 . 1 1 63 63 GLY N N 15 109.306 . . . . . . . 1080 GLY NN . 15397 1 275 . 1 1 64 64 GLN H H 1 8.025 . . . . . . . 1081 GLN HN . 15397 1 276 . 1 1 64 64 GLN C C 13 175.528 . . . . . . . 1081 GLN C . 15397 1 277 . 1 1 64 64 GLN CA C 13 55.737 . . . . . . . 1081 GLN CA . 15397 1 278 . 1 1 64 64 GLN CB C 13 29.672 . . . . . . . 1081 GLN CB . 15397 1 279 . 1 1 64 64 GLN N N 15 119.871 . . . . . . . 1081 GLN NN . 15397 1 280 . 1 1 65 65 ALA H H 1 8.206 . . . . . . . 1082 ALA HN . 15397 1 281 . 1 1 65 65 ALA C C 13 177.265 . . . . . . . 1082 ALA C . 15397 1 282 . 1 1 65 65 ALA CA C 13 52.41 . . . . . . . 1082 ALA CA . 15397 1 283 . 1 1 65 65 ALA CB C 13 19.157 . . . . . . . 1082 ALA CB . 15397 1 284 . 1 1 65 65 ALA N N 15 125.154 . . . . . . . 1082 ALA NN . 15397 1 285 . 1 1 66 66 LEU H H 1 8.057 . . . . . . . 1083 LEU HN . 15397 1 286 . 1 1 66 66 LEU C C 13 176.971 . . . . . . . 1083 LEU C . 15397 1 287 . 1 1 66 66 LEU CA C 13 54.833 . . . . . . . 1083 LEU CA . 15397 1 288 . 1 1 66 66 LEU CB C 13 42.598 . . . . . . . 1083 LEU CB . 15397 1 289 . 1 1 66 66 LEU N N 15 121.54 . . . . . . . 1083 LEU NN . 15397 1 290 . 1 1 67 67 GLU H H 1 8.135 . . . . . . . 1084 GLU HN . 15397 1 291 . 1 1 67 67 GLU N N 15 122.93 . . . . . . . 1084 GLU NN . 15397 1 292 . 1 1 68 68 PRO C C 13 176.559 . . . . . . . 1085 PRO C . 15397 1 293 . 1 1 68 68 PRO CA C 13 63.015 . . . . . . . 1085 PRO CA . 15397 1 294 . 1 1 68 68 PRO CB C 13 32.169 . . . . . . . 1085 PRO CB . 15397 1 295 . 1 1 69 69 LYS H H 1 8.259 . . . . . . . 1086 LYS HN . 15397 1 296 . 1 1 69 69 LYS C C 13 176.307 . . . . . . . 1086 LYS C . 15397 1 297 . 1 1 69 69 LYS CA C 13 56.146 . . . . . . . 1086 LYS CA . 15397 1 298 . 1 1 69 69 LYS CB C 13 33.298 . . . . . . . 1086 LYS CB . 15397 1 299 . 1 1 69 69 LYS N N 15 122.096 . . . . . . . 1086 LYS NN . 15397 1 300 . 1 1 70 70 GLN H H 1 8.402 . . . . . . . 1087 GLN HN . 15397 1 301 . 1 1 70 70 GLN C C 13 174.505 . . . . . . . 1087 GLN C . 15397 1 302 . 1 1 70 70 GLN CA C 13 55.654 . . . . . . . 1087 GLN CA . 15397 1 303 . 1 1 70 70 GLN CB C 13 29.991 . . . . . . . 1087 GLN CB . 15397 1 304 . 1 1 70 70 GLN N N 15 123.208 . . . . . . . 1087 GLN NN . 15397 1 305 . 1 1 71 71 ASP H H 1 7.92 . . . . . . . 1088 ASP HN . 15397 1 306 . 1 1 71 71 ASP N N 15 127.77 . . . . . . . 1088 ASP NN . 15397 1 stop_ save_