data_27813 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27813 _Entry.Title ; Amide chemical shifts of human IMP3 RRM1-2 (1-156) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-03-02 _Entry.Accession_date 2019-03-02 _Entry.Last_release_date 2019-03-04 _Entry.Original_release_date 2019-03-04 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details ; Residues 1-156 Cloning artefact is GAMA, which leads to N-to-A mutation at residue 2 ; _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.ORCID _Entry_author.Entry_ID 1 Andreas Schlundt . . . . 27813 2 Michael Sattler . . . . 27813 3 Masood Aziz . . . . 27813 4 Jacqueline Wagner . . . . 27813 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27813 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 145 27813 '1H chemical shifts' 145 27813 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 . . 2019-06-12 2019-03-02 update BMRB 'update entry citation' 27813 1 . . 2019-03-07 2019-03-02 original author 'original release' 27813 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27815 'Human IMP3 KH1-2 amide chemical shifts' 27813 BMRB 27816 'Human IMP3 KH1-2 delta2 amide chemical shifts' 27813 BMRB 27827 'Human IMP3 KH1-2 delta 1 amide chemical shifts' 27813 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27813 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1038/s41467-019-09769-8 _Citation.PubMed_ID 31118463 _Citation.Full_citation . _Citation.Title ; Combinatorial recognition of clustered RNA elements by the multidomain RNA-binding protein IMP3. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature communications' _Citation.Journal_volume 10 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2041-1723 _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 2266 _Citation.Page_last 2266 _Citation.Year 2019 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Tim Schneider . . . . 27813 1 2 Lee-Hsueh Hung . . . . 27813 1 3 Masood Aziz . . . . 27813 1 4 Anna Wilmen . . . . 27813 1 5 Stephanie Thaum . . . . 27813 1 6 Jacqueline Wagner . . . . 27813 1 7 Robert Janowski . . . . 27813 1 8 Simon Mueller . . . . 27813 1 9 Silke Schreiner . . . . 27813 1 10 Peter Friedhoff . . . . 27813 1 11 Stefan Huettelmaier . . . . 27813 1 12 Dierk Niessing . . . . 27813 1 13 Michael Sattler . . . . 27813 1 14 Andreas Schlundt . . . . 27813 1 15 Albrecht Bindereif . . . . 27813 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27813 _Assembly.ID 1 _Assembly.Name 'IMP3 RRM1-2' _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 'IMP3 RRM1-2' 1 $IMP3_(IGF2BP3)_RRM1-2 A . yes native no no . . . 27813 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_IMP3_(IGF2BP3)_RRM1-2 _Entity.Sf_category entity _Entity.Sf_framecode IMP3_(IGF2BP3)_RRM1-2 _Entity.Entry_ID 27813 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name IMP3_(IGF2BP3)_RRM1-2 _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 ; GAMAKLYIGNLSENAAPSDL ESIFKDAKIPVSGPFLVKTG YAFVDCPDESWALKAIEALS GKIELHGKPIEVEHSVPKRQ RIRKLQIRNIPPHLQWEVLD SLLVQYGVVESCEQVNTDSE TAVVNVTYSSKDQARQALDK LNGFQLENFTLKVAYIPD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; from G=-1 to D=156 ; _Entity.Polymer_author_seq_details M=1 _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 158 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment RRM1-2 _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -1 GLY . 27813 1 2 0 ALA . 27813 1 3 1 MET . 27813 1 4 2 ALA . 27813 1 5 3 LYS . 27813 1 6 4 LEU . 27813 1 7 5 TYR . 27813 1 8 6 ILE . 27813 1 9 7 GLY . 27813 1 10 8 ASN . 27813 1 11 9 LEU . 27813 1 12 10 SER . 27813 1 13 11 GLU . 27813 1 14 12 ASN . 27813 1 15 13 ALA . 27813 1 16 14 ALA . 27813 1 17 15 PRO . 27813 1 18 16 SER . 27813 1 19 17 ASP . 27813 1 20 18 LEU . 27813 1 21 19 GLU . 27813 1 22 20 SER . 27813 1 23 21 ILE . 27813 1 24 22 PHE . 27813 1 25 23 LYS . 27813 1 26 24 ASP . 27813 1 27 25 ALA . 27813 1 28 26 LYS . 27813 1 29 27 ILE . 27813 1 30 28 PRO . 27813 1 31 29 VAL . 27813 1 32 30 SER . 27813 1 33 31 GLY . 27813 1 34 32 PRO . 27813 1 35 33 PHE . 27813 1 36 34 LEU . 27813 1 37 35 VAL . 27813 1 38 36 LYS . 27813 1 39 37 THR . 27813 1 40 38 GLY . 27813 1 41 39 TYR . 27813 1 42 40 ALA . 27813 1 43 41 PHE . 27813 1 44 42 VAL . 27813 1 45 43 ASP . 27813 1 46 44 CYS . 27813 1 47 45 PRO . 27813 1 48 46 ASP . 27813 1 49 47 GLU . 27813 1 50 48 SER . 27813 1 51 49 TRP . 27813 1 52 50 ALA . 27813 1 53 51 LEU . 27813 1 54 52 LYS . 27813 1 55 53 ALA . 27813 1 56 54 ILE . 27813 1 57 55 GLU . 27813 1 58 56 ALA . 27813 1 59 57 LEU . 27813 1 60 58 SER . 27813 1 61 59 GLY . 27813 1 62 60 LYS . 27813 1 63 61 ILE . 27813 1 64 62 GLU . 27813 1 65 63 LEU . 27813 1 66 64 HIS . 27813 1 67 65 GLY . 27813 1 68 66 LYS . 27813 1 69 67 PRO . 27813 1 70 68 ILE . 27813 1 71 69 GLU . 27813 1 72 70 VAL . 27813 1 73 71 GLU . 27813 1 74 72 HIS . 27813 1 75 73 SER . 27813 1 76 74 VAL . 27813 1 77 75 PRO . 27813 1 78 76 LYS . 27813 1 79 77 ARG . 27813 1 80 78 GLN . 27813 1 81 79 ARG . 27813 1 82 80 ILE . 27813 1 83 81 ARG . 27813 1 84 82 LYS . 27813 1 85 83 LEU . 27813 1 86 84 GLN . 27813 1 87 85 ILE . 27813 1 88 86 ARG . 27813 1 89 87 ASN . 27813 1 90 88 ILE . 27813 1 91 89 PRO . 27813 1 92 90 PRO . 27813 1 93 91 HIS . 27813 1 94 92 LEU . 27813 1 95 93 GLN . 27813 1 96 94 TRP . 27813 1 97 95 GLU . 27813 1 98 96 VAL . 27813 1 99 97 LEU . 27813 1 100 98 ASP . 27813 1 101 99 SER . 27813 1 102 100 LEU . 27813 1 103 101 LEU . 27813 1 104 102 VAL . 27813 1 105 103 GLN . 27813 1 106 104 TYR . 27813 1 107 105 GLY . 27813 1 108 106 VAL . 27813 1 109 107 VAL . 27813 1 110 108 GLU . 27813 1 111 109 SER . 27813 1 112 110 CYS . 27813 1 113 111 GLU . 27813 1 114 112 GLN . 27813 1 115 113 VAL . 27813 1 116 114 ASN . 27813 1 117 115 THR . 27813 1 118 116 ASP . 27813 1 119 117 SER . 27813 1 120 118 GLU . 27813 1 121 119 THR . 27813 1 122 120 ALA . 27813 1 123 121 VAL . 27813 1 124 122 VAL . 27813 1 125 123 ASN . 27813 1 126 124 VAL . 27813 1 127 125 THR . 27813 1 128 126 TYR . 27813 1 129 127 SER . 27813 1 130 128 SER . 27813 1 131 129 LYS . 27813 1 132 130 ASP . 27813 1 133 131 GLN . 27813 1 134 132 ALA . 27813 1 135 133 ARG . 27813 1 136 134 GLN . 27813 1 137 135 ALA . 27813 1 138 136 LEU . 27813 1 139 137 ASP . 27813 1 140 138 LYS . 27813 1 141 139 LEU . 27813 1 142 140 ASN . 27813 1 143 141 GLY . 27813 1 144 142 PHE . 27813 1 145 143 GLN . 27813 1 146 144 LEU . 27813 1 147 145 GLU . 27813 1 148 146 ASN . 27813 1 149 147 PHE . 27813 1 150 148 THR . 27813 1 151 149 LEU . 27813 1 152 150 LYS . 27813 1 153 151 VAL . 27813 1 154 152 ALA . 27813 1 155 153 TYR . 27813 1 156 154 ILE . 27813 1 157 155 PRO . 27813 1 158 156 ASP . 27813 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 27813 1 . ALA 2 2 27813 1 . MET 3 3 27813 1 . ALA 4 4 27813 1 . LYS 5 5 27813 1 . LEU 6 6 27813 1 . TYR 7 7 27813 1 . ILE 8 8 27813 1 . GLY 9 9 27813 1 . ASN 10 10 27813 1 . LEU 11 11 27813 1 . SER 12 12 27813 1 . GLU 13 13 27813 1 . ASN 14 14 27813 1 . ALA 15 15 27813 1 . ALA 16 16 27813 1 . PRO 17 17 27813 1 . SER 18 18 27813 1 . ASP 19 19 27813 1 . LEU 20 20 27813 1 . GLU 21 21 27813 1 . SER 22 22 27813 1 . ILE 23 23 27813 1 . PHE 24 24 27813 1 . LYS 25 25 27813 1 . ASP 26 26 27813 1 . ALA 27 27 27813 1 . LYS 28 28 27813 1 . ILE 29 29 27813 1 . PRO 30 30 27813 1 . VAL 31 31 27813 1 . SER 32 32 27813 1 . GLY 33 33 27813 1 . PRO 34 34 27813 1 . PHE 35 35 27813 1 . LEU 36 36 27813 1 . VAL 37 37 27813 1 . LYS 38 38 27813 1 . THR 39 39 27813 1 . GLY 40 40 27813 1 . TYR 41 41 27813 1 . ALA 42 42 27813 1 . PHE 43 43 27813 1 . VAL 44 44 27813 1 . ASP 45 45 27813 1 . CYS 46 46 27813 1 . PRO 47 47 27813 1 . ASP 48 48 27813 1 . GLU 49 49 27813 1 . SER 50 50 27813 1 . TRP 51 51 27813 1 . ALA 52 52 27813 1 . LEU 53 53 27813 1 . LYS 54 54 27813 1 . ALA 55 55 27813 1 . ILE 56 56 27813 1 . GLU 57 57 27813 1 . ALA 58 58 27813 1 . LEU 59 59 27813 1 . SER 60 60 27813 1 . GLY 61 61 27813 1 . LYS 62 62 27813 1 . ILE 63 63 27813 1 . GLU 64 64 27813 1 . LEU 65 65 27813 1 . HIS 66 66 27813 1 . GLY 67 67 27813 1 . LYS 68 68 27813 1 . PRO 69 69 27813 1 . ILE 70 70 27813 1 . GLU 71 71 27813 1 . VAL 72 72 27813 1 . GLU 73 73 27813 1 . HIS 74 74 27813 1 . SER 75 75 27813 1 . VAL 76 76 27813 1 . PRO 77 77 27813 1 . LYS 78 78 27813 1 . ARG 79 79 27813 1 . GLN 80 80 27813 1 . ARG 81 81 27813 1 . ILE 82 82 27813 1 . ARG 83 83 27813 1 . LYS 84 84 27813 1 . LEU 85 85 27813 1 . GLN 86 86 27813 1 . ILE 87 87 27813 1 . ARG 88 88 27813 1 . ASN 89 89 27813 1 . ILE 90 90 27813 1 . PRO 91 91 27813 1 . PRO 92 92 27813 1 . HIS 93 93 27813 1 . LEU 94 94 27813 1 . GLN 95 95 27813 1 . TRP 96 96 27813 1 . GLU 97 97 27813 1 . VAL 98 98 27813 1 . LEU 99 99 27813 1 . ASP 100 100 27813 1 . SER 101 101 27813 1 . LEU 102 102 27813 1 . LEU 103 103 27813 1 . VAL 104 104 27813 1 . GLN 105 105 27813 1 . TYR 106 106 27813 1 . GLY 107 107 27813 1 . VAL 108 108 27813 1 . VAL 109 109 27813 1 . GLU 110 110 27813 1 . SER 111 111 27813 1 . CYS 112 112 27813 1 . GLU 113 113 27813 1 . GLN 114 114 27813 1 . VAL 115 115 27813 1 . ASN 116 116 27813 1 . THR 117 117 27813 1 . ASP 118 118 27813 1 . SER 119 119 27813 1 . GLU 120 120 27813 1 . THR 121 121 27813 1 . ALA 122 122 27813 1 . VAL 123 123 27813 1 . VAL 124 124 27813 1 . ASN 125 125 27813 1 . VAL 126 126 27813 1 . THR 127 127 27813 1 . TYR 128 128 27813 1 . SER 129 129 27813 1 . SER 130 130 27813 1 . LYS 131 131 27813 1 . ASP 132 132 27813 1 . GLN 133 133 27813 1 . ALA 134 134 27813 1 . ARG 135 135 27813 1 . GLN 136 136 27813 1 . ALA 137 137 27813 1 . LEU 138 138 27813 1 . ASP 139 139 27813 1 . LYS 140 140 27813 1 . LEU 141 141 27813 1 . ASN 142 142 27813 1 . GLY 143 143 27813 1 . PHE 144 144 27813 1 . GLN 145 145 27813 1 . LEU 146 146 27813 1 . GLU 147 147 27813 1 . ASN 148 148 27813 1 . PHE 149 149 27813 1 . THR 150 150 27813 1 . LEU 151 151 27813 1 . LYS 152 152 27813 1 . VAL 153 153 27813 1 . ALA 154 154 27813 1 . TYR 155 155 27813 1 . ILE 156 156 27813 1 . PRO 157 157 27813 1 . ASP 158 158 27813 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 27813 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $IMP3_(IGF2BP3)_RRM1-2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27813 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 27813 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $IMP3_(IGF2BP3)_RRM1-2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pETTrx1a . . . 27813 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27813 _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 'IMP3 (IGF2BP3) RRM1-2' '[U-99% 13C; U-99% 15N]' . . 1 $IMP3_(IGF2BP3)_RRM1-2 . . 0.5 0.2 0.8 mM . . . . 27813 1 2 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 27813 1 3 BisTris 'natural abundance' . . . . . . 20 . . mM . . . . 27813 1 4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 27813 1 5 TCEP 'natural abundance' . . . . . . 2 . . mM . . . . 27813 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 27813 _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' 0.15 . M 27813 1 pH 6.5 . pH 27813 1 pressure 1 . atm 27813 1 temperature 298 . K 27813 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27813 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 27813 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27813 1 processing 27813 1 stop_ save_ save_CCPNMR_Analysis _Software.Sf_category software _Software.Sf_framecode CCPNMR_Analysis _Software.Entry_ID 27813 _Software.ID 2 _Software.Type . _Software.Name CCPNMR_Analysis _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 27813 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27813 2 'data analysis' 27813 2 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 27813 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27813 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 27813 _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 Avance . 800 . . . 27813 1 2 spectrometer_2 Bruker Avance . 600 . . . 27813 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 27813 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27813 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27813 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27813 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27813 1 5 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27813 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27813 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 27813 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 27813 1 N 15 urea nitrogen . . . . ppm 0 internal indirect 0.251449530 . . . . . 27813 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_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27813 _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 '2D 1H-15N HSQC' . . . 27813 1 2 '3D CBCA(CO)NH' . . . 27813 1 3 '3D HNCACB' . . . 27813 1 4 '3D HNCO' . . . 27813 1 5 '3D HCACO' . . . 27813 1 6 '3D 1H-15N NOESY' . . . 27813 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.Ambiguity_set_ID _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 MET H H 1 8.208 0.023 . 1 . . . . . 1 Met H . 27813 1 2 . 1 1 3 3 MET N N 15 118.675 0.119 . 1 . . . . . 1 Met N . 27813 1 3 . 1 1 4 4 ALA H H 1 8.018 0.011 . 1 . . . . . 2 Ala H . 27813 1 4 . 1 1 4 4 ALA N N 15 124.866 0.148 . 1 . . . . . 2 Ala N . 27813 1 5 . 1 1 5 5 LYS H H 1 8.406 0.029 . 1 . . . . . 3 Lys H . 27813 1 6 . 1 1 5 5 LYS N N 15 124.067 0.298 . 1 . . . . . 3 Lys N . 27813 1 7 . 1 1 6 6 LEU H H 1 9.643 0.018 . 1 . . . . . 4 Leu H . 27813 1 8 . 1 1 6 6 LEU N N 15 127.646 0.150 . 1 . . . . . 4 Leu N . 27813 1 9 . 1 1 7 7 TYR H H 1 9.511 0.024 . 1 . . . . . 5 Tyr H . 27813 1 10 . 1 1 7 7 TYR N N 15 127.801 0.246 . 1 . . . . . 5 Tyr N . 27813 1 11 . 1 1 8 8 ILE H H 1 8.681 0.034 . 1 . . . . . 6 Ile H . 27813 1 12 . 1 1 8 8 ILE N N 15 128.213 0.259 . 1 . . . . . 6 Ile N . 27813 1 13 . 1 1 9 9 GLY H H 1 9.114 0.051 . 1 . . . . . 7 Gly H . 27813 1 14 . 1 1 9 9 GLY N N 15 111.773 0.130 . 1 . . . . . 7 Gly N . 27813 1 15 . 1 1 10 10 ASN H H 1 8.010 0.527 . 1 . . . . . 8 Asn H . 27813 1 16 . 1 1 10 10 ASN N N 15 119.010 1.235 . 1 . . . . . 8 Asn N . 27813 1 17 . 1 1 11 11 LEU H H 1 7.278 0.010 . 1 . . . . . 9 Leu H . 27813 1 18 . 1 1 11 11 LEU N N 15 113.639 0.058 . 1 . . . . . 9 Leu N . 27813 1 19 . 1 1 12 12 SER H H 1 9.072 0.024 . 1 . . . . . 10 Ser H . 27813 1 20 . 1 1 12 12 SER N N 15 118.154 0.095 . 1 . . . . . 10 Ser N . 27813 1 21 . 1 1 13 13 GLU H H 1 9.312 0.014 . 1 . . . . . 11 Glu H . 27813 1 22 . 1 1 13 13 GLU N N 15 124.749 0.116 . 1 . . . . . 11 Glu N . 27813 1 23 . 1 1 14 14 ASN H H 1 8.094 0.013 . 1 . . . . . 12 Asn H . 27813 1 24 . 1 1 14 14 ASN N N 15 114.717 0.090 . 1 . . . . . 12 Asn N . 27813 1 25 . 1 1 15 15 ALA H H 1 7.272 0.014 . 1 . . . . . 13 Ala H . 27813 1 26 . 1 1 15 15 ALA N N 15 122.926 0.084 . 1 . . . . . 13 Ala N . 27813 1 27 . 1 1 16 16 ALA H H 1 8.961 0.025 . 1 . . . . . 14 Ala H . 27813 1 28 . 1 1 16 16 ALA N N 15 125.851 0.064 . 1 . . . . . 14 Ala N . 27813 1 29 . 1 1 18 18 SER H H 1 8.039 0.207 . 1 . . . . . 16 Ser H . 27813 1 30 . 1 1 18 18 SER N N 15 108.976 0.416 . 1 . . . . . 16 Ser N . 27813 1 31 . 1 1 19 19 ASP H H 1 7.407 0.064 . 1 . . . . . 17 Asp H . 27813 1 32 . 1 1 19 19 ASP N N 15 121.753 0.077 . 1 . . . . . 17 Asp N . 27813 1 33 . 1 1 20 20 LEU H H 1 6.634 0.018 . 1 . . . . . 18 Leu H . 27813 1 34 . 1 1 20 20 LEU N N 15 118.778 0.087 . 1 . . . . . 18 Leu N . 27813 1 35 . 1 1 21 21 GLU H H 1 8.149 0.019 . 1 . . . . . 19 Glu H . 27813 1 36 . 1 1 21 21 GLU N N 15 118.984 0.109 . 1 . . . . . 19 Glu N . 27813 1 37 . 1 1 22 22 SER H H 1 7.468 0.013 . 1 . . . . . 20 Ser H . 27813 1 38 . 1 1 22 22 SER N N 15 113.455 0.099 . 1 . . . . . 20 Ser N . 27813 1 39 . 1 1 23 23 ILE H H 1 7.245 0.013 . 1 . . . . . 21 Ile H . 27813 1 40 . 1 1 23 23 ILE N N 15 121.164 0.031 . 1 . . . . . 21 Ile N . 27813 1 41 . 1 1 24 24 PHE H H 1 8.363 0.018 . 1 . . . . . 22 Phe H . 27813 1 42 . 1 1 24 24 PHE N N 15 120.456 0.177 . 1 . . . . . 22 Phe N . 27813 1 43 . 1 1 25 25 LYS H H 1 8.146 0.020 . 1 . . . . . 23 Lys H . 27813 1 44 . 1 1 25 25 LYS N N 15 119.797 0.134 . 1 . . . . . 23 Lys N . 27813 1 45 . 1 1 26 26 ASP H H 1 8.511 0.017 . 1 . . . . . 24 Asp H . 27813 1 46 . 1 1 26 26 ASP N N 15 122.171 0.128 . 1 . . . . . 24 Asp N . 27813 1 47 . 1 1 27 27 ALA H H 1 7.280 0.012 . 1 . . . . . 25 Ala H . 27813 1 48 . 1 1 27 27 ALA N N 15 119.481 0.079 . 1 . . . . . 25 Ala N . 27813 1 49 . 1 1 28 28 LYS H H 1 7.784 0.011 . 1 . . . . . 26 Lys H . 27813 1 50 . 1 1 28 28 LYS N N 15 114.904 0.089 . 1 . . . . . 26 Lys N . 27813 1 51 . 1 1 29 29 ILE H H 1 7.919 0.015 . 1 . . . . . 27 Ile H . 27813 1 52 . 1 1 29 29 ILE N N 15 120.714 0.079 . 1 . . . . . 27 Ile N . 27813 1 53 . 1 1 31 31 VAL H H 1 7.548 0.010 . 1 . . . . . 29 Val H . 27813 1 54 . 1 1 31 31 VAL N N 15 108.136 0.059 . 1 . . . . . 29 Val N . 27813 1 55 . 1 1 32 32 SER H H 1 8.647 0.014 . 1 . . . . . 30 Ser H . 27813 1 56 . 1 1 32 32 SER N N 15 116.671 0.075 . 1 . . . . . 30 Ser N . 27813 1 57 . 1 1 33 33 GLY H H 1 8.702 0.623 . 1 . . . . . 31 Gly H . 27813 1 58 . 1 1 33 33 GLY N N 15 113.920 1.680 . 1 . . . . . 31 Gly N . 27813 1 59 . 1 1 35 35 PHE H H 1 8.684 0.022 . 1 . . . . . 33 Phe H . 27813 1 60 . 1 1 35 35 PHE N N 15 118.980 0.130 . 1 . . . . . 33 Phe N . 27813 1 61 . 1 1 36 36 LEU H H 1 8.906 0.016 . 1 . . . . . 34 Leu H . 27813 1 62 . 1 1 36 36 LEU N N 15 127.290 0.066 . 1 . . . . . 34 Leu N . 27813 1 63 . 1 1 37 37 VAL H H 1 8.564 0.010 . 1 . . . . . 35 Val H . 27813 1 64 . 1 1 37 37 VAL N N 15 125.317 0.079 . 1 . . . . . 35 Val N . 27813 1 65 . 1 1 38 38 LYS H H 1 8.627 0.021 . 1 . . . . . 36 Lys H . 27813 1 66 . 1 1 38 38 LYS N N 15 130.248 0.102 . 1 . . . . . 36 Lys N . 27813 1 67 . 1 1 39 39 THR H H 1 6.948 0.012 . 1 . . . . . 37 Thr H . 27813 1 68 . 1 1 39 39 THR N N 15 114.461 0.188 . 1 . . . . . 37 Thr N . 27813 1 69 . 1 1 40 40 GLY H H 1 7.421 0.368 . 1 . . . . . 38 Gly H . 27813 1 70 . 1 1 40 40 GLY N N 15 110.377 0.968 . 1 . . . . . 38 Gly N . 27813 1 71 . 1 1 41 41 TYR H H 1 7.046 0.050 . 1 . . . . . 39 Tyr H . 27813 1 72 . 1 1 41 41 TYR N N 15 115.620 0.096 . 1 . . . . . 39 Tyr N . 27813 1 73 . 1 1 42 42 ALA H H 1 9.222 0.030 . 1 . . . . . 40 Ala H . 27813 1 74 . 1 1 42 42 ALA N N 15 120.628 0.046 . 1 . . . . . 40 Ala N . 27813 1 75 . 1 1 43 43 PHE H H 1 8.375 0.026 . 1 . . . . . 41 Phe H . 27813 1 76 . 1 1 43 43 PHE N N 15 114.486 0.129 . 1 . . . . . 41 Phe N . 27813 1 77 . 1 1 44 44 VAL H H 1 8.324 0.022 . 1 . . . . . 42 Val H . 27813 1 78 . 1 1 44 44 VAL N N 15 118.318 0.170 . 1 . . . . . 42 Val N . 27813 1 79 . 1 1 45 45 ASP H H 1 7.857 0.017 . 1 . . . . . 43 Asp H . 27813 1 80 . 1 1 45 45 ASP N N 15 125.335 0.123 . 1 . . . . . 43 Asp N . 27813 1 81 . 1 1 46 46 CYS H H 1 8.975 0.031 . 1 . . . . . 44 Cys H . 27813 1 82 . 1 1 46 46 CYS N N 15 119.169 0.148 . 1 . . . . . 44 Cys N . 27813 1 83 . 1 1 48 48 ASP H H 1 9.029 0.012 . 1 . . . . . 46 Asp H . 27813 1 84 . 1 1 48 48 ASP N N 15 118.586 0.237 . 1 . . . . . 46 Asp N . 27813 1 85 . 1 1 49 49 GLU H H 1 8.618 0.007 . 1 . . . . . 47 Glu H . 27813 1 86 . 1 1 49 49 GLU N N 15 119.570 0.251 . 1 . . . . . 47 Glu N . 27813 1 87 . 1 1 50 50 SER H H 1 8.238 0.015 . 1 . . . . . 48 Ser H . 27813 1 88 . 1 1 50 50 SER N N 15 116.113 0.156 . 1 . . . . . 48 Ser N . 27813 1 89 . 1 1 51 51 TRP H H 1 8.286 0.035 . 1 . . . . . 49 Trp H . 27813 1 90 . 1 1 51 51 TRP N N 15 118.288 0.320 . 1 . . . . . 49 Trp N . 27813 1 91 . 1 1 52 52 ALA H H 1 7.699 0.009 . 1 . . . . . 50 Ala H . 27813 1 92 . 1 1 52 52 ALA N N 15 121.241 0.192 . 1 . . . . . 50 Ala N . 27813 1 93 . 1 1 53 53 LEU H H 1 7.894 0.026 . 1 . . . . . 51 Leu H . 27813 1 94 . 1 1 53 53 LEU N N 15 116.537 0.059 . 1 . . . . . 51 Leu N . 27813 1 95 . 1 1 54 54 LYS H H 1 7.791 0.012 . 1 . . . . . 52 Lys H . 27813 1 96 . 1 1 54 54 LYS N N 15 119.176 0.108 . 1 . . . . . 52 Lys N . 27813 1 97 . 1 1 55 55 ALA H H 1 8.566 0.020 . 1 . . . . . 53 Ala H . 27813 1 98 . 1 1 55 55 ALA N N 15 122.449 0.097 . 1 . . . . . 53 Ala N . 27813 1 99 . 1 1 56 56 ILE H H 1 7.968 0.021 . 1 . . . . . 54 Ile H . 27813 1 100 . 1 1 56 56 ILE N N 15 118.820 0.135 . 1 . . . . . 54 Ile N . 27813 1 101 . 1 1 57 57 GLU H H 1 8.024 0.009 . 1 . . . . . 55 Glu H . 27813 1 102 . 1 1 57 57 GLU N N 15 118.927 0.090 . 1 . . . . . 55 Glu N . 27813 1 103 . 1 1 58 58 ALA H H 1 8.287 0.013 . 1 . . . . . 56 Ala H . 27813 1 104 . 1 1 58 58 ALA N N 15 117.822 0.076 . 1 . . . . . 56 Ala N . 27813 1 105 . 1 1 59 59 LEU H H 1 7.772 0.013 . 1 . . . . . 57 Leu H . 27813 1 106 . 1 1 59 59 LEU N N 15 110.566 0.066 . 1 . . . . . 57 Leu N . 27813 1 107 . 1 1 60 60 SER H H 1 7.797 0.023 . 1 . . . . . 58 Ser H . 27813 1 108 . 1 1 60 60 SER N N 15 111.411 0.096 . 1 . . . . . 58 Ser N . 27813 1 109 . 1 1 61 61 GLY H H 1 9.796 0.016 . 1 . . . . . 59 Gly H . 27813 1 110 . 1 1 61 61 GLY N N 15 117.971 0.047 . 1 . . . . . 59 Gly N . 27813 1 111 . 1 1 62 62 LYS H H 1 7.795 0.010 . 1 . . . . . 60 Lys H . 27813 1 112 . 1 1 62 62 LYS N N 15 118.082 0.043 . 1 . . . . . 60 Lys N . 27813 1 113 . 1 1 63 63 ILE H H 1 7.038 0.026 . 1 . . . . . 61 Ile H . 27813 1 114 . 1 1 63 63 ILE N N 15 119.475 0.081 . 1 . . . . . 61 Ile N . 27813 1 115 . 1 1 64 64 GLU H H 1 8.415 0.010 . 1 . . . . . 62 Glu H . 27813 1 116 . 1 1 64 64 GLU N N 15 124.958 0.145 . 1 . . . . . 62 Glu N . 27813 1 117 . 1 1 65 65 LEU H H 1 8.235 0.012 . 1 . . . . . 63 Leu H . 27813 1 118 . 1 1 65 65 LEU N N 15 123.717 0.052 . 1 . . . . . 63 Leu N . 27813 1 119 . 1 1 66 66 HIS H H 1 9.424 0.007 . 1 . . . . . 64 His H . 27813 1 120 . 1 1 66 66 HIS N N 15 125.733 0.087 . 1 . . . . . 64 His N . 27813 1 121 . 1 1 67 67 GLY H H 1 8.634 0.009 . 1 . . . . . 65 Gly H . 27813 1 122 . 1 1 67 67 GLY N N 15 102.891 0.056 . 1 . . . . . 65 Gly N . 27813 1 123 . 1 1 68 68 LYS H H 1 7.907 0.498 . 1 . . . . . 66 Lys H . 27813 1 124 . 1 1 68 68 LYS N N 15 115.632 1.291 . 1 . . . . . 66 Lys N . 27813 1 125 . 1 1 70 70 ILE H H 1 8.350 0.011 . 1 . . . . . 68 Ile H . 27813 1 126 . 1 1 70 70 ILE N N 15 121.595 0.077 . 1 . . . . . 68 Ile N . 27813 1 127 . 1 1 71 71 GLU H H 1 7.709 0.007 . 1 . . . . . 69 Glu H . 27813 1 128 . 1 1 71 71 GLU N N 15 122.968 0.146 . 1 . . . . . 69 Glu N . 27813 1 129 . 1 1 72 72 VAL H H 1 8.445 0.022 . 1 . . . . . 70 Val H . 27813 1 130 . 1 1 72 72 VAL N N 15 123.610 0.184 . 1 . . . . . 70 Val N . 27813 1 131 . 1 1 73 73 GLU H H 1 8.668 0.021 . 1 . . . . . 71 Glu H . 27813 1 132 . 1 1 73 73 GLU N N 15 120.881 0.158 . 1 . . . . . 71 Glu N . 27813 1 133 . 1 1 74 74 HIS H H 1 8.614 0.016 . 1 . . . . . 72 His H . 27813 1 134 . 1 1 74 74 HIS N N 15 123.108 0.212 . 1 . . . . . 72 His N . 27813 1 135 . 1 1 75 75 SER H H 1 8.339 0.004 . 1 . . . . . 73 Ser H . 27813 1 136 . 1 1 75 75 SER N N 15 116.258 0.053 . 1 . . . . . 73 Ser N . 27813 1 137 . 1 1 76 76 VAL H H 1 7.801 0.004 . 1 . . . . . 74 Val H . 27813 1 138 . 1 1 76 76 VAL N N 15 118.100 0.067 . 1 . . . . . 74 Val N . 27813 1 139 . 1 1 78 78 LYS H H 1 8.408 0.019 . 1 . . . . . 76 Lys H . 27813 1 140 . 1 1 78 78 LYS N N 15 124.935 0.175 . 1 . . . . . 76 Lys N . 27813 1 141 . 1 1 79 79 ARG H H 1 9.358 0.015 . 1 . . . . . 77 Arg H . 27813 1 142 . 1 1 79 79 ARG N N 15 124.855 0.168 . 1 . . . . . 77 Arg N . 27813 1 143 . 1 1 81 81 ARG H H 1 9.141 0.011 . 1 . . . . . 79 Arg H . 27813 1 144 . 1 1 81 81 ARG N N 15 122.399 0.110 . 1 . . . . . 79 Arg N . 27813 1 145 . 1 1 82 82 ILE H H 1 8.411 0.011 . 1 . . . . . 80 Ile H . 27813 1 146 . 1 1 82 82 ILE N N 15 127.051 0.104 . 1 . . . . . 80 Ile N . 27813 1 147 . 1 1 84 84 LYS H H 1 9.201 0.032 . 1 . . . . . 82 Lys H . 27813 1 148 . 1 1 84 84 LYS N N 15 123.102 0.248 . 1 . . . . . 82 Lys N . 27813 1 149 . 1 1 85 85 LEU H H 1 9.186 0.146 . 1 . . . . . 83 Leu H . 27813 1 150 . 1 1 85 85 LEU N N 15 122.737 0.725 . 1 . . . . . 83 Leu N . 27813 1 151 . 1 1 86 86 GLN H H 1 9.352 0.025 . 1 . . . . . 84 Gln H . 27813 1 152 . 1 1 86 86 GLN N N 15 121.436 0.109 . 1 . . . . . 84 Gln N . 27813 1 153 . 1 1 87 87 ILE H H 1 9.293 0.011 . 1 . . . . . 85 Ile H . 27813 1 154 . 1 1 87 87 ILE N N 15 123.162 0.047 . 1 . . . . . 85 Ile N . 27813 1 155 . 1 1 88 88 ARG H H 1 9.218 0.014 . 1 . . . . . 86 Arg H . 27813 1 156 . 1 1 88 88 ARG N N 15 123.296 0.074 . 1 . . . . . 86 Arg N . 27813 1 157 . 1 1 89 89 ASN H H 1 8.957 0.022 . 1 . . . . . 87 Asn H . 27813 1 158 . 1 1 89 89 ASN N N 15 116.212 0.082 . 1 . . . . . 87 Asn N . 27813 1 159 . 1 1 90 90 ILE H H 1 7.084 0.000 . 1 . . . . . 88 Ile H . 27813 1 160 . 1 1 90 90 ILE N N 15 114.772 0.000 . 1 . . . . . 88 Ile N . 27813 1 161 . 1 1 93 93 HIS H H 1 8.248 0.027 . 1 . . . . . 91 His H . 27813 1 162 . 1 1 93 93 HIS N N 15 114.078 0.081 . 1 . . . . . 91 His N . 27813 1 163 . 1 1 94 94 LEU H H 1 7.135 0.023 . 1 . . . . . 92 Leu H . 27813 1 164 . 1 1 94 94 LEU N N 15 122.308 0.075 . 1 . . . . . 92 Leu N . 27813 1 165 . 1 1 95 95 GLN H H 1 7.308 0.011 . 1 . . . . . 93 Gln H . 27813 1 166 . 1 1 95 95 GLN N N 15 120.248 0.064 . 1 . . . . . 93 Gln N . 27813 1 167 . 1 1 96 96 TRP H H 1 8.738 0.024 . 1 . . . . . 94 Trp H . 27813 1 168 . 1 1 96 96 TRP N N 15 126.929 0.126 . 1 . . . . . 94 Trp N . 27813 1 169 . 1 1 97 97 GLU H H 1 9.332 0.011 . 1 . . . . . 95 Glu H . 27813 1 170 . 1 1 97 97 GLU N N 15 116.706 0.062 . 1 . . . . . 95 Glu N . 27813 1 171 . 1 1 98 98 VAL H H 1 7.395 0.014 . 1 . . . . . 96 Val H . 27813 1 172 . 1 1 98 98 VAL N N 15 119.965 0.071 . 1 . . . . . 96 Val N . 27813 1 173 . 1 1 99 99 LEU H H 1 6.996 0.013 . 1 . . . . . 97 Leu H . 27813 1 174 . 1 1 99 99 LEU N N 15 121.188 0.050 . 1 . . . . . 97 Leu N . 27813 1 175 . 1 1 100 100 ASP H H 1 8.363 0.011 . 1 . . . . . 98 Asp H . 27813 1 176 . 1 1 100 100 ASP N N 15 118.534 0.108 . 1 . . . . . 98 Asp N . 27813 1 177 . 1 1 101 101 SER H H 1 7.459 0.015 . 1 . . . . . 99 Ser H . 27813 1 178 . 1 1 101 101 SER N N 15 110.999 0.210 . 1 . . . . . 99 Ser N . 27813 1 179 . 1 1 102 102 LEU H H 1 7.373 0.049 . 1 . . . . . 100 Leu H . 27813 1 180 . 1 1 102 102 LEU N N 15 121.798 0.045 . 1 . . . . . 100 Leu N . 27813 1 181 . 1 1 103 103 LEU H H 1 8.034 0.018 . 1 . . . . . 101 Leu H . 27813 1 182 . 1 1 103 103 LEU N N 15 115.407 0.131 . 1 . . . . . 101 Leu N . 27813 1 183 . 1 1 104 104 VAL H H 1 8.087 0.010 . 1 . . . . . 102 Val H . 27813 1 184 . 1 1 104 104 VAL N N 15 113.698 0.066 . 1 . . . . . 102 Val N . 27813 1 185 . 1 1 105 105 GLN H H 1 7.004 0.017 . 1 . . . . . 103 Gln H . 27813 1 186 . 1 1 105 105 GLN N N 15 117.746 0.063 . 1 . . . . . 103 Gln N . 27813 1 187 . 1 1 106 106 TYR H H 1 6.780 0.008 . 1 . . . . . 104 Tyr H . 27813 1 188 . 1 1 106 106 TYR N N 15 113.573 0.084 . 1 . . . . . 104 Tyr N . 27813 1 189 . 1 1 107 107 GLY H H 1 7.136 0.017 . 1 . . . . . 105 Gly H . 27813 1 190 . 1 1 107 107 GLY N N 15 103.594 0.082 . 1 . . . . . 105 Gly N . 27813 1 191 . 1 1 108 108 VAL H H 1 7.467 0.020 . 1 . . . . . 106 Val H . 27813 1 192 . 1 1 108 108 VAL N N 15 119.081 0.078 . 1 . . . . . 106 Val N . 27813 1 193 . 1 1 109 109 VAL H H 1 8.573 0.017 . 1 . . . . . 107 Val H . 27813 1 194 . 1 1 109 109 VAL N N 15 129.905 0.131 . 1 . . . . . 107 Val N . 27813 1 195 . 1 1 110 110 GLU H H 1 8.803 0.011 . 1 . . . . . 108 Glu H . 27813 1 196 . 1 1 110 110 GLU N N 15 130.109 0.104 . 1 . . . . . 108 Glu N . 27813 1 197 . 1 1 111 111 SER H H 1 7.344 0.020 . 1 . . . . . 109 Ser H . 27813 1 198 . 1 1 111 111 SER N N 15 109.448 0.085 . 1 . . . . . 109 Ser N . 27813 1 199 . 1 1 112 112 CYS H H 1 8.583 0.016 . 1 . . . . . 110 Cys H . 27813 1 200 . 1 1 112 112 CYS N N 15 124.284 0.102 . 1 . . . . . 110 Cys N . 27813 1 201 . 1 1 113 113 GLU H H 1 8.858 0.018 . 1 . . . . . 111 Glu H . 27813 1 202 . 1 1 113 113 GLU N N 15 125.995 0.074 . 1 . . . . . 111 Glu N . 27813 1 203 . 1 1 114 114 GLN H H 1 8.848 0.011 . 1 . . . . . 112 Gln H . 27813 1 204 . 1 1 114 114 GLN N N 15 124.911 0.090 . 1 . . . . . 112 Gln N . 27813 1 205 . 1 1 115 115 VAL H H 1 8.727 0.016 . 1 . . . . . 113 Val H . 27813 1 206 . 1 1 115 115 VAL N N 15 126.961 0.108 . 1 . . . . . 113 Val N . 27813 1 207 . 1 1 116 116 ASN H H 1 8.591 0.011 . 1 . . . . . 114 Asn H . 27813 1 208 . 1 1 116 116 ASN N N 15 124.342 0.251 . 1 . . . . . 114 Asn N . 27813 1 209 . 1 1 117 117 THR H H 1 8.215 0.024 . 1 . . . . . 115 Thr H . 27813 1 210 . 1 1 117 117 THR N N 15 116.187 0.136 . 1 . . . . . 115 Thr N . 27813 1 211 . 1 1 118 118 ASP H H 1 8.386 0.014 . 1 . . . . . 116 Asp H . 27813 1 212 . 1 1 118 118 ASP N N 15 121.960 0.070 . 1 . . . . . 116 Asp N . 27813 1 213 . 1 1 119 119 SER H H 1 8.045 0.017 . 1 . . . . . 117 Ser H . 27813 1 214 . 1 1 119 119 SER N N 15 115.299 0.151 . 1 . . . . . 117 Ser N . 27813 1 215 . 1 1 120 120 GLU H H 1 8.703 0.018 . 1 . . . . . 118 Glu H . 27813 1 216 . 1 1 120 120 GLU N N 15 120.891 0.104 . 1 . . . . . 118 Glu N . 27813 1 217 . 1 1 121 121 THR H H 1 7.479 0.018 . 1 . . . . . 119 Thr H . 27813 1 218 . 1 1 121 121 THR N N 15 108.428 0.160 . 1 . . . . . 119 Thr N . 27813 1 219 . 1 1 122 122 ALA H H 1 8.409 0.024 . 1 . . . . . 120 Ala H . 27813 1 220 . 1 1 122 122 ALA N N 15 124.244 0.167 . 1 . . . . . 120 Ala N . 27813 1 221 . 1 1 123 123 VAL H H 1 8.368 0.014 . 1 . . . . . 121 Val H . 27813 1 222 . 1 1 123 123 VAL N N 15 120.187 0.137 . 1 . . . . . 121 Val N . 27813 1 223 . 1 1 124 124 VAL H H 1 8.377 0.003 . 1 . . . . . 122 Val H . 27813 1 224 . 1 1 124 124 VAL N N 15 126.304 0.040 . 1 . . . . . 122 Val N . 27813 1 225 . 1 1 125 125 ASN H H 1 8.905 0.017 . 1 . . . . . 123 Asn H . 27813 1 226 . 1 1 125 125 ASN N N 15 122.460 0.119 . 1 . . . . . 123 Asn N . 27813 1 227 . 1 1 126 126 VAL H H 1 9.765 0.018 . 1 . . . . . 124 Val H . 27813 1 228 . 1 1 126 126 VAL N N 15 125.051 0.129 . 1 . . . . . 124 Val N . 27813 1 229 . 1 1 127 127 THR H H 1 7.423 0.031 . 1 . . . . . 125 Thr H . 27813 1 230 . 1 1 127 127 THR N N 15 107.813 0.234 . 1 . . . . . 125 Thr N . 27813 1 231 . 1 1 128 128 TYR H H 1 8.757 0.014 . 1 . . . . . 126 Tyr H . 27813 1 232 . 1 1 128 128 TYR N N 15 126.821 0.049 . 1 . . . . . 126 Tyr N . 27813 1 233 . 1 1 129 129 SER H H 1 8.515 0.008 . 1 . . . . . 127 Ser H . 27813 1 234 . 1 1 129 129 SER N N 15 111.789 0.293 . 1 . . . . . 127 Ser N . 27813 1 235 . 1 1 130 130 SER H H 1 7.456 0.006 . 1 . . . . . 128 Ser H . 27813 1 236 . 1 1 130 130 SER N N 15 108.800 1.308 . 1 . . . . . 128 Ser N . 27813 1 237 . 1 1 131 131 LYS H H 1 8.125 0.018 . 1 . . . . . 129 Lys H . 27813 1 238 . 1 1 131 131 LYS N N 15 111.246 0.258 . 1 . . . . . 129 Lys N . 27813 1 239 . 1 1 132 132 ASP H H 1 8.420 0.024 . 1 . . . . . 130 Asp H . 27813 1 240 . 1 1 132 132 ASP N N 15 120.512 0.158 . 1 . . . . . 130 Asp N . 27813 1 241 . 1 1 133 133 GLN H H 1 7.292 0.017 . 1 . . . . . 131 Gln H . 27813 1 242 . 1 1 133 133 GLN N N 15 120.256 0.077 . 1 . . . . . 131 Gln N . 27813 1 243 . 1 1 134 134 ALA H H 1 7.143 0.010 . 1 . . . . . 132 Ala H . 27813 1 244 . 1 1 134 134 ALA N N 15 118.151 0.052 . 1 . . . . . 132 Ala N . 27813 1 245 . 1 1 135 135 ARG H H 1 7.765 0.028 . 1 . . . . . 133 Arg H . 27813 1 246 . 1 1 135 135 ARG N N 15 115.838 0.081 . 1 . . . . . 133 Arg N . 27813 1 247 . 1 1 136 136 GLN H H 1 7.420 0.026 . 1 . . . . . 134 Gln H . 27813 1 248 . 1 1 136 136 GLN N N 15 118.275 0.126 . 1 . . . . . 134 Gln N . 27813 1 249 . 1 1 137 137 ALA H H 1 7.762 0.019 . 1 . . . . . 135 Ala H . 27813 1 250 . 1 1 137 137 ALA N N 15 120.899 0.143 . 1 . . . . . 135 Ala N . 27813 1 251 . 1 1 138 138 LEU H H 1 8.002 0.021 . 1 . . . . . 136 Leu H . 27813 1 252 . 1 1 138 138 LEU N N 15 118.914 0.136 . 1 . . . . . 136 Leu N . 27813 1 253 . 1 1 139 139 ASP H H 1 7.631 0.016 . 1 . . . . . 137 Asp H . 27813 1 254 . 1 1 139 139 ASP N N 15 116.051 0.117 . 1 . . . . . 137 Asp N . 27813 1 255 . 1 1 140 140 LYS H H 1 7.612 0.011 . 1 . . . . . 138 Lys H . 27813 1 256 . 1 1 140 140 LYS N N 15 115.130 0.128 . 1 . . . . . 138 Lys N . 27813 1 257 . 1 1 141 141 LEU H H 1 8.588 0.011 . 1 . . . . . 139 Leu H . 27813 1 258 . 1 1 141 141 LEU N N 15 117.156 0.104 . 1 . . . . . 139 Leu N . 27813 1 259 . 1 1 142 142 ASN H H 1 7.489 0.013 . 1 . . . . . 140 Asn H . 27813 1 260 . 1 1 142 142 ASN N N 15 116.442 0.069 . 1 . . . . . 140 Asn N . 27813 1 261 . 1 1 143 143 GLY H H 1 8.793 0.010 . 1 . . . . . 141 Gly H . 27813 1 262 . 1 1 143 143 GLY N N 15 117.838 0.033 . 1 . . . . . 141 Gly N . 27813 1 263 . 1 1 144 144 PHE H H 1 7.964 0.010 . 1 . . . . . 142 Phe H . 27813 1 264 . 1 1 144 144 PHE N N 15 124.324 0.049 . 1 . . . . . 142 Phe N . 27813 1 265 . 1 1 145 145 GLN H H 1 7.653 0.013 . 1 . . . . . 143 Gln H . 27813 1 266 . 1 1 145 145 GLN N N 15 126.989 0.056 . 1 . . . . . 143 Gln N . 27813 1 267 . 1 1 146 146 LEU H H 1 8.862 0.010 . 1 . . . . . 144 Leu H . 27813 1 268 . 1 1 146 146 LEU N N 15 128.859 0.054 . 1 . . . . . 144 Leu N . 27813 1 269 . 1 1 147 147 GLU H H 1 9.088 0.006 . 1 . . . . . 145 Glu H . 27813 1 270 . 1 1 147 147 GLU N N 15 123.035 0.046 . 1 . . . . . 145 Glu N . 27813 1 271 . 1 1 148 148 ASN H H 1 8.582 0.015 . 1 . . . . . 146 Asn H . 27813 1 272 . 1 1 148 148 ASN N N 15 112.488 0.138 . 1 . . . . . 146 Asn N . 27813 1 273 . 1 1 149 149 PHE H H 1 8.378 0.032 . 1 . . . . . 147 Phe H . 27813 1 274 . 1 1 149 149 PHE N N 15 121.872 0.255 . 1 . . . . . 147 Phe N . 27813 1 275 . 1 1 150 150 THR H H 1 8.379 0.015 . 1 . . . . . 148 Thr H . 27813 1 276 . 1 1 150 150 THR N N 15 117.613 0.089 . 1 . . . . . 148 Thr N . 27813 1 277 . 1 1 151 151 LEU H H 1 9.318 0.008 . 1 . . . . . 149 Leu H . 27813 1 278 . 1 1 151 151 LEU N N 15 128.245 0.044 . 1 . . . . . 149 Leu N . 27813 1 279 . 1 1 152 152 LYS H H 1 7.857 0.012 . 1 . . . . . 150 Lys H . 27813 1 280 . 1 1 152 152 LYS N N 15 122.172 0.083 . 1 . . . . . 150 Lys N . 27813 1 281 . 1 1 153 153 VAL H H 1 8.256 0.028 . 1 . . . . . 151 Val H . 27813 1 282 . 1 1 153 153 VAL N N 15 123.599 0.126 . 1 . . . . . 151 Val N . 27813 1 283 . 1 1 154 154 ALA H H 1 7.639 0.008 . 1 . . . . . 152 Ala H . 27813 1 284 . 1 1 154 154 ALA N N 15 121.795 0.041 . 1 . . . . . 152 Ala N . 27813 1 285 . 1 1 155 155 TYR H H 1 7.537 0.327 . 1 . . . . . 153 Tyr H . 27813 1 286 . 1 1 155 155 TYR N N 15 117.518 1.189 . 1 . . . . . 153 Tyr N . 27813 1 287 . 1 1 156 156 ILE H H 1 8.692 0.014 . 1 . . . . . 154 Ile H . 27813 1 288 . 1 1 156 156 ILE N N 15 128.259 0.038 . 1 . . . . . 154 Ile N . 27813 1 289 . 1 1 158 158 ASP H H 1 7.827 0.004 . 1 . . . . . 156 Asp H . 27813 1 290 . 1 1 158 158 ASP N N 15 125.589 0.030 . 1 . . . . . 156 Asp N . 27813 1 stop_ save_