data_26701 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26701 _Entry.Title ; T-STAR KH domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-11-04 _Entry.Accession_date 2015-11-04 _Entry.Last_release_date 2016-01-06 _Entry.Original_release_date 2016-01-06 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'KH domain of T-STAR' _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 Mikael Feracci . . . . 26701 2 Cyril Dominguez . . . . 26701 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of Leicester' . 26701 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26701 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 101 26701 '1H chemical shifts' 101 26701 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 . . 2016-12-09 2015-11-04 update BMRB 'update entry citation' 26701 1 . . 2016-01-06 2015-11-04 original author 'original release' 26701 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 26700 'Sam68 STAR' 26701 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 26701 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26758068 _Citation.Full_citation . _Citation.Title ; Structural basis of RNA recognition and dimerization by the STAR proteins T-STAR and Sam68 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full . _Citation.Journal_volume 7 _Citation.Journal_issue . _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 10355 _Citation.Page_last 10355 _Citation.Year 2016 _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 Mikael Feracci . . . . 26701 1 2 Jaelle Foot . N. . . 26701 1 3 Sushma Grellscheid . N. . . 26701 1 4 Marina Danilenko . . . . 26701 1 5 Ralf Stehle . . . . 26701 1 6 Oksana Gonchar . . . . 26701 1 7 Hyun-Seo Kang . . . . 26701 1 8 Caroline Dalgliesh . . . . 26701 1 9 Helge Meyer . N. . . 26701 1 10 Yilei Liu . . . . 26701 1 11 Albert Lahat . . . . 26701 1 12 Michael Sattler . . . . 26701 1 13 Ian Eperon . C. . . 26701 1 14 David Elliott . J. . . 26701 1 15 Cyril Dominguez . . . . 26701 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'KH domain' 26701 1 'STAR proteins' 26701 1 'alternative splicing' 26701 1 'protein-RNA complexe' 26701 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26701 _Assembly.ID 1 _Assembly.Name 'T-STAR KH' _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 'KH domain' 1 $T_STAR A . yes native no no . . . 26701 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 5EL3 . . X-ray 1.59 'Structure of T-STAR Kh domain' . 26701 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_T_STAR _Entity.Sf_category entity _Entity.Sf_framecode T_STAR _Entity.Entry_ID 26701 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name T_STAR _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 ; GAINKNMKLGQKVLIPVKQF PKFNFVGKLLGPRGNSLKRL QEETLTKMSILGKGSMRDKA KEEELRKSGEAKYFHLNDDL HVLIEVFAPPAEAYARMGHA LEEIKKFLIPDYN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'residues 1 and 2 are non-native amino acids from the tag after Tev cleavage' _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 113 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'KH domain' _Entity.Mutation None _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_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 yes UNP O75525 . KHDR3_human . . . . . . . . . . . . . . 26701 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 48 GLY . 26701 1 2 49 ALA . 26701 1 3 50 ILE . 26701 1 4 51 ASN . 26701 1 5 52 LYS . 26701 1 6 53 ASN . 26701 1 7 54 MET . 26701 1 8 55 LYS . 26701 1 9 56 LEU . 26701 1 10 57 GLY . 26701 1 11 58 GLN . 26701 1 12 59 LYS . 26701 1 13 60 VAL . 26701 1 14 61 LEU . 26701 1 15 62 ILE . 26701 1 16 63 PRO . 26701 1 17 64 VAL . 26701 1 18 65 LYS . 26701 1 19 66 GLN . 26701 1 20 67 PHE . 26701 1 21 68 PRO . 26701 1 22 69 LYS . 26701 1 23 70 PHE . 26701 1 24 71 ASN . 26701 1 25 72 PHE . 26701 1 26 73 VAL . 26701 1 27 74 GLY . 26701 1 28 75 LYS . 26701 1 29 76 LEU . 26701 1 30 77 LEU . 26701 1 31 78 GLY . 26701 1 32 79 PRO . 26701 1 33 80 ARG . 26701 1 34 81 GLY . 26701 1 35 82 ASN . 26701 1 36 83 SER . 26701 1 37 84 LEU . 26701 1 38 85 LYS . 26701 1 39 86 ARG . 26701 1 40 87 LEU . 26701 1 41 88 GLN . 26701 1 42 89 GLU . 26701 1 43 90 GLU . 26701 1 44 91 THR . 26701 1 45 92 LEU . 26701 1 46 93 THR . 26701 1 47 94 LYS . 26701 1 48 95 MET . 26701 1 49 96 SER . 26701 1 50 97 ILE . 26701 1 51 98 LEU . 26701 1 52 99 GLY . 26701 1 53 100 LYS . 26701 1 54 101 GLY . 26701 1 55 102 SER . 26701 1 56 103 MET . 26701 1 57 104 ARG . 26701 1 58 105 ASP . 26701 1 59 106 LYS . 26701 1 60 107 ALA . 26701 1 61 108 LYS . 26701 1 62 109 GLU . 26701 1 63 110 GLU . 26701 1 64 111 GLU . 26701 1 65 112 LEU . 26701 1 66 113 ARG . 26701 1 67 114 LYS . 26701 1 68 115 SER . 26701 1 69 116 GLY . 26701 1 70 117 GLU . 26701 1 71 118 ALA . 26701 1 72 119 LYS . 26701 1 73 120 TYR . 26701 1 74 121 PHE . 26701 1 75 122 HIS . 26701 1 76 123 LEU . 26701 1 77 124 ASN . 26701 1 78 125 ASP . 26701 1 79 126 ASP . 26701 1 80 127 LEU . 26701 1 81 128 HIS . 26701 1 82 129 VAL . 26701 1 83 130 LEU . 26701 1 84 131 ILE . 26701 1 85 132 GLU . 26701 1 86 133 VAL . 26701 1 87 134 PHE . 26701 1 88 135 ALA . 26701 1 89 136 PRO . 26701 1 90 137 PRO . 26701 1 91 138 ALA . 26701 1 92 139 GLU . 26701 1 93 140 ALA . 26701 1 94 141 TYR . 26701 1 95 142 ALA . 26701 1 96 143 ARG . 26701 1 97 144 MET . 26701 1 98 145 GLY . 26701 1 99 146 HIS . 26701 1 100 147 ALA . 26701 1 101 148 LEU . 26701 1 102 149 GLU . 26701 1 103 150 GLU . 26701 1 104 151 ILE . 26701 1 105 152 LYS . 26701 1 106 153 LYS . 26701 1 107 154 PHE . 26701 1 108 155 LEU . 26701 1 109 156 ILE . 26701 1 110 157 PRO . 26701 1 111 158 ASP . 26701 1 112 159 TYR . 26701 1 113 160 ASN . 26701 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 26701 1 . ALA 2 2 26701 1 . ILE 3 3 26701 1 . ASN 4 4 26701 1 . LYS 5 5 26701 1 . ASN 6 6 26701 1 . MET 7 7 26701 1 . LYS 8 8 26701 1 . LEU 9 9 26701 1 . GLY 10 10 26701 1 . GLN 11 11 26701 1 . LYS 12 12 26701 1 . VAL 13 13 26701 1 . LEU 14 14 26701 1 . ILE 15 15 26701 1 . PRO 16 16 26701 1 . VAL 17 17 26701 1 . LYS 18 18 26701 1 . GLN 19 19 26701 1 . PHE 20 20 26701 1 . PRO 21 21 26701 1 . LYS 22 22 26701 1 . PHE 23 23 26701 1 . ASN 24 24 26701 1 . PHE 25 25 26701 1 . VAL 26 26 26701 1 . GLY 27 27 26701 1 . LYS 28 28 26701 1 . LEU 29 29 26701 1 . LEU 30 30 26701 1 . GLY 31 31 26701 1 . PRO 32 32 26701 1 . ARG 33 33 26701 1 . GLY 34 34 26701 1 . ASN 35 35 26701 1 . SER 36 36 26701 1 . LEU 37 37 26701 1 . LYS 38 38 26701 1 . ARG 39 39 26701 1 . LEU 40 40 26701 1 . GLN 41 41 26701 1 . GLU 42 42 26701 1 . GLU 43 43 26701 1 . THR 44 44 26701 1 . LEU 45 45 26701 1 . THR 46 46 26701 1 . LYS 47 47 26701 1 . MET 48 48 26701 1 . SER 49 49 26701 1 . ILE 50 50 26701 1 . LEU 51 51 26701 1 . GLY 52 52 26701 1 . LYS 53 53 26701 1 . GLY 54 54 26701 1 . SER 55 55 26701 1 . MET 56 56 26701 1 . ARG 57 57 26701 1 . ASP 58 58 26701 1 . LYS 59 59 26701 1 . ALA 60 60 26701 1 . LYS 61 61 26701 1 . GLU 62 62 26701 1 . GLU 63 63 26701 1 . GLU 64 64 26701 1 . LEU 65 65 26701 1 . ARG 66 66 26701 1 . LYS 67 67 26701 1 . SER 68 68 26701 1 . GLY 69 69 26701 1 . GLU 70 70 26701 1 . ALA 71 71 26701 1 . LYS 72 72 26701 1 . TYR 73 73 26701 1 . PHE 74 74 26701 1 . HIS 75 75 26701 1 . LEU 76 76 26701 1 . ASN 77 77 26701 1 . ASP 78 78 26701 1 . ASP 79 79 26701 1 . LEU 80 80 26701 1 . HIS 81 81 26701 1 . VAL 82 82 26701 1 . LEU 83 83 26701 1 . ILE 84 84 26701 1 . GLU 85 85 26701 1 . VAL 86 86 26701 1 . PHE 87 87 26701 1 . ALA 88 88 26701 1 . PRO 89 89 26701 1 . PRO 90 90 26701 1 . ALA 91 91 26701 1 . GLU 92 92 26701 1 . ALA 93 93 26701 1 . TYR 94 94 26701 1 . ALA 95 95 26701 1 . ARG 96 96 26701 1 . MET 97 97 26701 1 . GLY 98 98 26701 1 . HIS 99 99 26701 1 . ALA 100 100 26701 1 . LEU 101 101 26701 1 . GLU 102 102 26701 1 . GLU 103 103 26701 1 . ILE 104 104 26701 1 . LYS 105 105 26701 1 . LYS 106 106 26701 1 . PHE 107 107 26701 1 . LEU 108 108 26701 1 . ILE 109 109 26701 1 . PRO 110 110 26701 1 . ASP 111 111 26701 1 . TYR 112 112 26701 1 . ASN 113 113 26701 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 26701 _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 $T_STAR . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . KHDRBS3 . 26701 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 26701 _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 $T_STAR . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli Rosetta . . . . . pLEICS-03 . . . 26701 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26701 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 T_STAR [U-15N] . . 1 $T_STAR . . 0.5 . . mM 0.1 . . . 26701 1 2 T_STAR '[U-13C; U-15N]' . . 1 $T_STAR . . 1 . . mM 0.1 . . . 26701 1 3 H2O 'natural abundance' . . . . . . 93 . . % . . . . 26701 1 4 D2O 'natural abundance' . . . . . . 7 . . % . . . . 26701 1 5 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 26701 1 6 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 26701 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 26701 _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 26701 1 pH 6.2 . pH 26701 1 pressure 1 . atm 26701 1 temperature 303 . K 26701 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 26701 _Software.ID 1 _Software.Name SPARKY _Software.Version 3.110 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 26701 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26701 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 26701 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 26701 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 26701 _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 . 600 . . . 26701 1 2 spectrometer_2 Bruker Avance . 800 . . . 26701 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 26701 _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 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26701 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26701 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26701 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26701 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26701 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 26701 _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 water protons . . . . ppm 4.7 internal direct 1 . . . . . 26701 1 N 15 water protons . . . . ppm 4.7 internal indirect 0.101329118 . . . . . 26701 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 26701 _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 0.05 _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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' . . . 26701 1 2 '3D HNCA' . . . 26701 1 3 '3D HNCACB' . . . 26701 1 4 '3D CBCA(CO)NH' . . . 26701 1 5 '3D 1H-15N NOESY' . . . 26701 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $SPARKY . . 26701 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 6 6 ASN H H 1 8.161 0.05 . 1 . . . . 53 ASN HN . 26701 1 2 . 1 1 6 6 ASN N N 15 119.676 0.2 . 1 . . . . 53 ASN N . 26701 1 3 . 1 1 7 7 MET H H 1 8.476 0.05 . 1 . . . . 54 MET HN . 26701 1 4 . 1 1 7 7 MET N N 15 120.341 0.2 . 1 . . . . 54 MET N . 26701 1 5 . 1 1 8 8 LYS H H 1 8.352 0.05 . 1 . . . . 55 LYS HN . 26701 1 6 . 1 1 8 8 LYS N N 15 121.240 0.2 . 1 . . . . 55 LYS N . 26701 1 7 . 1 1 9 9 LEU H H 1 8.472 0.05 . 1 . . . . 56 LEU HN . 26701 1 8 . 1 1 9 9 LEU N N 15 124.542 0.2 . 1 . . . . 56 LEU N . 26701 1 9 . 1 1 10 10 GLY H H 1 8.285 0.05 . 1 . . . . 57 GLY HN . 26701 1 10 . 1 1 10 10 GLY N N 15 109.107 0.2 . 1 . . . . 57 GLY N . 26701 1 11 . 1 1 11 11 GLN H H 1 8.859 0.05 . 1 . . . . 58 GLN HN . 26701 1 12 . 1 1 11 11 GLN N N 15 122.279 0.2 . 1 . . . . 58 GLN N . 26701 1 13 . 1 1 12 12 LYS H H 1 8.609 0.05 . 1 . . . . 59 LYS HN . 26701 1 14 . 1 1 12 12 LYS N N 15 126.919 0.2 . 1 . . . . 59 LYS N . 26701 1 15 . 1 1 13 13 VAL H H 1 9.515 0.05 . 1 . . . . 60 VAL HN . 26701 1 16 . 1 1 13 13 VAL N N 15 125.367 0.2 . 1 . . . . 60 VAL N . 26701 1 17 . 1 1 14 14 LEU H H 1 8.498 0.05 . 1 . . . . 61 LEU HN . 26701 1 18 . 1 1 14 14 LEU N N 15 127.701 0.2 . 1 . . . . 61 LEU N . 26701 1 19 . 1 1 15 15 ILE H H 1 7.597 0.05 . 1 . . . . 62 ILE HN . 26701 1 20 . 1 1 15 15 ILE N N 15 123.481 0.2 . 1 . . . . 62 ILE N . 26701 1 21 . 1 1 17 17 VAL H H 1 8.730 0.05 . 1 . . . . 64 VAL HN . 26701 1 22 . 1 1 17 17 VAL N N 15 121.954 0.2 . 1 . . . . 64 VAL N . 26701 1 23 . 1 1 18 18 LYS H H 1 8.306 0.05 . 1 . . . . 65 LYS HN . 26701 1 24 . 1 1 18 18 LYS N N 15 117.204 0.2 . 1 . . . . 65 LYS N . 26701 1 25 . 1 1 19 19 GLN H H 1 7.396 0.05 . 1 . . . . 66 GLN HN . 26701 1 26 . 1 1 19 19 GLN N N 15 117.423 0.2 . 1 . . . . 66 GLN N . 26701 1 27 . 1 1 20 20 PHE H H 1 7.308 0.05 . 1 . . . . 67 PHE HN . 26701 1 28 . 1 1 20 20 PHE N N 15 115.496 0.2 . 1 . . . . 67 PHE N . 26701 1 29 . 1 1 22 22 LYS H H 1 8.699 0.05 . 1 . . . . 69 LYS HN . 26701 1 30 . 1 1 22 22 LYS N N 15 116.568 0.2 . 1 . . . . 69 LYS N . 26701 1 31 . 1 1 23 23 PHE H H 1 7.554 0.05 . 1 . . . . 70 PHE HN . 26701 1 32 . 1 1 23 23 PHE N N 15 121.075 0.2 . 1 . . . . 70 PHE N . 26701 1 33 . 1 1 25 25 PHE H H 1 8.134 0.05 . 1 . . . . 72 PHE HN . 26701 1 34 . 1 1 25 25 PHE N N 15 124.405 0.2 . 1 . . . . 72 PHE N . 26701 1 35 . 1 1 26 26 VAL H H 1 8.322 0.05 . 1 . . . . 73 VAL HN . 26701 1 36 . 1 1 26 26 VAL N N 15 118.712 0.2 . 1 . . . . 73 VAL N . 26701 1 37 . 1 1 27 27 GLY H H 1 7.561 0.05 . 1 . . . . 74 GLY HN . 26701 1 38 . 1 1 27 27 GLY N N 15 104.215 0.2 . 1 . . . . 74 GLY N . 26701 1 39 . 1 1 28 28 LYS H H 1 7.190 0.05 . 1 . . . . 75 LYS HN . 26701 1 40 . 1 1 28 28 LYS N N 15 122.210 0.2 . 1 . . . . 75 LYS N . 26701 1 41 . 1 1 29 29 LEU H H 1 8.112 0.05 . 1 . . . . 76 LEU HN . 26701 1 42 . 1 1 29 29 LEU N N 15 118.541 0.2 . 1 . . . . 76 LEU N . 26701 1 43 . 1 1 30 30 LEU H H 1 7.980 0.05 . 1 . . . . 77 LEU HN . 26701 1 44 . 1 1 30 30 LEU N N 15 113.462 0.2 . 1 . . . . 77 LEU N . 26701 1 45 . 1 1 31 31 GLY H H 1 7.656 0.05 . 1 . . . . 78 GLY HN . 26701 1 46 . 1 1 31 31 GLY N N 15 105.358 0.2 . 1 . . . . 78 GLY N . 26701 1 47 . 1 1 33 33 ARG H H 1 8.306 0.05 . 1 . . . . 80 ARG HN . 26701 1 48 . 1 1 33 33 ARG N N 15 120.326 0.2 . 1 . . . . 80 ARG N . 26701 1 49 . 1 1 34 34 GLY H H 1 7.734 0.05 . 1 . . . . 81 GLY HN . 26701 1 50 . 1 1 34 34 GLY N N 15 106.597 0.2 . 1 . . . . 81 GLY N . 26701 1 51 . 1 1 35 35 ASN H H 1 8.223 0.05 . 1 . . . . 82 ASN HN . 26701 1 52 . 1 1 35 35 ASN N N 15 117.577 0.2 . 1 . . . . 82 ASN N . 26701 1 53 . 1 1 36 36 SER H H 1 8.744 0.05 . 1 . . . . 83 SER HN . 26701 1 54 . 1 1 36 36 SER N N 15 118.129 0.2 . 1 . . . . 83 SER N . 26701 1 55 . 1 1 37 37 LEU H H 1 7.453 0.05 . 1 . . . . 84 LEU HN . 26701 1 56 . 1 1 37 37 LEU N N 15 124.445 0.2 . 1 . . . . 84 LEU N . 26701 1 57 . 1 1 38 38 LYS H H 1 7.796 0.05 . 1 . . . . 85 LYS HN . 26701 1 58 . 1 1 38 38 LYS N N 15 120.999 0.2 . 1 . . . . 85 LYS N . 26701 1 59 . 1 1 39 39 ARG H H 1 7.869 0.05 . 1 . . . . 86 ARG HN . 26701 1 60 . 1 1 39 39 ARG N N 15 119.074 0.2 . 1 . . . . 86 ARG N . 26701 1 61 . 1 1 40 40 LEU H H 1 7.974 0.05 . 1 . . . . 87 LEU HN . 26701 1 62 . 1 1 40 40 LEU N N 15 119.949 0.2 . 1 . . . . 87 LEU N . 26701 1 63 . 1 1 41 41 GLN H H 1 8.031 0.05 . 1 . . . . 88 GLN HN . 26701 1 64 . 1 1 41 41 GLN N N 15 120.547 0.2 . 1 . . . . 88 GLN N . 26701 1 65 . 1 1 42 42 GLU H H 1 7.906 0.05 . 1 . . . . 89 GLU HN . 26701 1 66 . 1 1 42 42 GLU N N 15 120.045 0.2 . 1 . . . . 89 GLU N . 26701 1 67 . 1 1 43 43 GLU H H 1 8.590 0.05 . 1 . . . . 90 GLU HN . 26701 1 68 . 1 1 43 43 GLU N N 15 116.829 0.2 . 1 . . . . 90 GLU N . 26701 1 69 . 1 1 44 44 THR H H 1 7.527 0.05 . 1 . . . . 91 THR HN . 26701 1 70 . 1 1 44 44 THR N N 15 104.234 0.2 . 1 . . . . 91 THR N . 26701 1 71 . 1 1 45 45 LEU H H 1 7.894 0.05 . 1 . . . . 92 LEU HN . 26701 1 72 . 1 1 45 45 LEU N N 15 119.190 0.2 . 1 . . . . 92 LEU N . 26701 1 73 . 1 1 46 46 THR H H 1 7.783 0.05 . 1 . . . . 93 THR HN . 26701 1 74 . 1 1 46 46 THR N N 15 106.827 0.2 . 1 . . . . 93 THR N . 26701 1 75 . 1 1 47 47 LYS H H 1 8.642 0.05 . 1 . . . . 94 LYS HN . 26701 1 76 . 1 1 47 47 LYS N N 15 119.091 0.2 . 1 . . . . 94 LYS N . 26701 1 77 . 1 1 48 48 MET H H 1 8.398 0.05 . 1 . . . . 95 MET HN . 26701 1 78 . 1 1 48 48 MET N N 15 122.641 0.2 . 1 . . . . 95 MET N . 26701 1 79 . 1 1 49 49 SER H H 1 8.179 0.05 . 1 . . . . 96 SER HN . 26701 1 80 . 1 1 49 49 SER N N 15 114.412 0.2 . 1 . . . . 96 SER N . 26701 1 81 . 1 1 50 50 ILE H H 1 8.594 0.05 . 1 . . . . 97 ILE HN . 26701 1 82 . 1 1 50 50 ILE N N 15 124.909 0.2 . 1 . . . . 97 ILE N . 26701 1 83 . 1 1 51 51 LEU H H 1 8.447 0.05 . 1 . . . . 98 LEU HN . 26701 1 84 . 1 1 51 51 LEU N N 15 129.526 0.2 . 1 . . . . 98 LEU N . 26701 1 85 . 1 1 52 52 GLY H H 1 10.006 0.05 . 1 . . . . 99 GLY HN . 26701 1 86 . 1 1 52 52 GLY N N 15 106.940 0.2 . 1 . . . . 99 GLY N . 26701 1 87 . 1 1 53 53 LYS H H 1 8.778 0.05 . 1 . . . . 100 LYS HN . 26701 1 88 . 1 1 53 53 LYS N N 15 121.461 0.2 . 1 . . . . 100 LYS N . 26701 1 89 . 1 1 54 54 GLY H H 1 11.040 0.05 . 1 . . . . 101 GLY HN . 26701 1 90 . 1 1 54 54 GLY N N 15 117.119 0.2 . 1 . . . . 101 GLY N . 26701 1 91 . 1 1 55 55 SER H H 1 8.335 0.05 . 1 . . . . 102 SER HN . 26701 1 92 . 1 1 55 55 SER N N 15 115.364 0.2 . 1 . . . . 102 SER N . 26701 1 93 . 1 1 56 56 MET H H 1 8.300 0.05 . 1 . . . . 103 MET HN . 26701 1 94 . 1 1 56 56 MET N N 15 119.334 0.2 . 1 . . . . 103 MET N . 26701 1 95 . 1 1 57 57 ARG H H 1 7.944 0.05 . 1 . . . . 104 ARG HN . 26701 1 96 . 1 1 57 57 ARG N N 15 117.595 0.2 . 1 . . . . 104 ARG N . 26701 1 97 . 1 1 58 58 ASP H H 1 7.770 0.05 . 1 . . . . 105 ASP HN . 26701 1 98 . 1 1 58 58 ASP N N 15 117.141 0.2 . 1 . . . . 105 ASP N . 26701 1 99 . 1 1 59 59 LYS H H 1 8.508 0.05 . 1 . . . . 106 LYS HN . 26701 1 100 . 1 1 59 59 LYS N N 15 126.244 0.2 . 1 . . . . 106 LYS N . 26701 1 101 . 1 1 60 60 ALA H H 1 8.136 0.05 . 1 . . . . 107 ALA HN . 26701 1 102 . 1 1 60 60 ALA N N 15 122.075 0.2 . 1 . . . . 107 ALA N . 26701 1 103 . 1 1 61 61 LYS H H 1 7.727 0.05 . 1 . . . . 108 LYS HN . 26701 1 104 . 1 1 61 61 LYS N N 15 120.914 0.2 . 1 . . . . 108 LYS N . 26701 1 105 . 1 1 62 62 GLU H H 1 8.168 0.05 . 1 . . . . 109 GLU HN . 26701 1 106 . 1 1 62 62 GLU N N 15 118.441 0.2 . 1 . . . . 109 GLU N . 26701 1 107 . 1 1 63 63 GLU H H 1 7.729 0.05 . 1 . . . . 110 GLU HN . 26701 1 108 . 1 1 63 63 GLU N N 15 117.279 0.2 . 1 . . . . 110 GLU N . 26701 1 109 . 1 1 64 64 GLU H H 1 7.524 0.05 . 1 . . . . 111 GLU HN . 26701 1 110 . 1 1 64 64 GLU N N 15 119.006 0.2 . 1 . . . . 111 GLU N . 26701 1 111 . 1 1 65 65 LEU H H 1 8.163 0.05 . 1 . . . . 112 LEU HN . 26701 1 112 . 1 1 65 65 LEU N N 15 119.412 0.2 . 1 . . . . 112 LEU N . 26701 1 113 . 1 1 66 66 ARG H H 1 8.621 0.05 . 1 . . . . 113 ARG HN . 26701 1 114 . 1 1 66 66 ARG N N 15 122.515 0.2 . 1 . . . . 113 ARG N . 26701 1 115 . 1 1 67 67 LYS H H 1 7.883 0.05 . 1 . . . . 114 LYS HN . 26701 1 116 . 1 1 67 67 LYS N N 15 117.232 0.2 . 1 . . . . 114 LYS N . 26701 1 117 . 1 1 68 68 SER H H 1 7.608 0.05 . 1 . . . . 115 SER HN . 26701 1 118 . 1 1 68 68 SER N N 15 114.676 0.2 . 1 . . . . 115 SER N . 26701 1 119 . 1 1 69 69 GLY H H 1 7.650 0.05 . 1 . . . . 116 GLY HN . 26701 1 120 . 1 1 69 69 GLY N N 15 109.029 0.2 . 1 . . . . 116 GLY N . 26701 1 121 . 1 1 70 70 GLU H H 1 7.861 0.05 . 1 . . . . 117 GLU HN . 26701 1 122 . 1 1 70 70 GLU N N 15 120.058 0.2 . 1 . . . . 117 GLU N . 26701 1 123 . 1 1 71 71 ALA H H 1 8.623 0.05 . 1 . . . . 118 ALA HN . 26701 1 124 . 1 1 71 71 ALA N N 15 130.195 0.2 . 1 . . . . 118 ALA N . 26701 1 125 . 1 1 72 72 LYS H H 1 8.235 0.05 . 1 . . . . 119 LYS HN . 26701 1 126 . 1 1 72 72 LYS N N 15 116.297 0.2 . 1 . . . . 119 LYS N . 26701 1 127 . 1 1 73 73 TYR H H 1 7.348 0.05 . 1 . . . . 120 TYR HN . 26701 1 128 . 1 1 73 73 TYR N N 15 115.320 0.2 . 1 . . . . 120 TYR N . 26701 1 129 . 1 1 74 74 PHE H H 1 7.765 0.05 . 1 . . . . 121 PHE HN . 26701 1 130 . 1 1 74 74 PHE N N 15 122.014 0.2 . 1 . . . . 121 PHE N . 26701 1 131 . 1 1 75 75 HIS H H 1 8.306 0.05 . 1 . . . . 122 HIS HN . 26701 1 132 . 1 1 75 75 HIS N N 15 117.568 0.2 . 1 . . . . 122 HIS N . 26701 1 133 . 1 1 76 76 LEU H H 1 7.210 0.05 . 1 . . . . 123 LEU HN . 26701 1 134 . 1 1 76 76 LEU N N 15 119.125 0.2 . 1 . . . . 123 LEU N . 26701 1 135 . 1 1 77 77 ASN H H 1 7.724 0.05 . 1 . . . . 124 ASN HN . 26701 1 136 . 1 1 77 77 ASN N N 15 114.587 0.2 . 1 . . . . 124 ASN N . 26701 1 137 . 1 1 78 78 ASP H H 1 8.137 0.05 . 1 . . . . 125 ASP HN . 26701 1 138 . 1 1 78 78 ASP N N 15 122.232 0.2 . 1 . . . . 125 ASP N . 26701 1 139 . 1 1 79 79 ASP H H 1 8.610 0.05 . 1 . . . . 126 ASP HN . 26701 1 140 . 1 1 79 79 ASP N N 15 119.283 0.2 . 1 . . . . 126 ASP N . 26701 1 141 . 1 1 80 80 LEU H H 1 8.391 0.05 . 1 . . . . 127 LEU HN . 26701 1 142 . 1 1 80 80 LEU N N 15 124.482 0.2 . 1 . . . . 127 LEU N . 26701 1 143 . 1 1 81 81 HIS H H 1 9.176 0.05 . 1 . . . . 128 HIS HN . 26701 1 144 . 1 1 81 81 HIS N N 15 122.918 0.2 . 1 . . . . 128 HIS N . 26701 1 145 . 1 1 82 82 VAL H H 1 8.794 0.05 . 1 . . . . 129 VAL HN . 26701 1 146 . 1 1 82 82 VAL N N 15 117.287 0.2 . 1 . . . . 129 VAL N . 26701 1 147 . 1 1 83 83 LEU H H 1 9.068 0.05 . 1 . . . . 130 LEU HN . 26701 1 148 . 1 1 83 83 LEU N N 15 129.209 0.2 . 1 . . . . 130 LEU N . 26701 1 149 . 1 1 84 84 ILE H H 1 8.799 0.05 . 1 . . . . 131 ILE HN . 26701 1 150 . 1 1 84 84 ILE N N 15 129.659 0.2 . 1 . . . . 131 ILE N . 26701 1 151 . 1 1 85 85 GLU H H 1 9.409 0.05 . 1 . . . . 132 GLU HN . 26701 1 152 . 1 1 85 85 GLU N N 15 124.980 0.2 . 1 . . . . 132 GLU N . 26701 1 153 . 1 1 86 86 VAL H H 1 8.694 0.05 . 1 . . . . 133 VAL HN . 26701 1 154 . 1 1 86 86 VAL N N 15 119.851 0.2 . 1 . . . . 133 VAL N . 26701 1 155 . 1 1 87 87 PHE H H 1 8.239 0.05 . 1 . . . . 134 PHE HN . 26701 1 156 . 1 1 87 87 PHE N N 15 127.184 0.2 . 1 . . . . 134 PHE N . 26701 1 157 . 1 1 88 88 ALA H H 1 8.545 0.05 . 1 . . . . 135 ALA HN . 26701 1 158 . 1 1 88 88 ALA N N 15 127.318 0.2 . 1 . . . . 135 ALA N . 26701 1 159 . 1 1 91 91 ALA H H 1 8.111 0.05 . 1 . . . . 138 ALA HN . 26701 1 160 . 1 1 91 91 ALA N N 15 122.505 0.2 . 1 . . . . 138 ALA N . 26701 1 161 . 1 1 92 92 GLU H H 1 8.021 0.05 . 1 . . . . 139 GLU HN . 26701 1 162 . 1 1 92 92 GLU N N 15 119.755 0.2 . 1 . . . . 139 GLU N . 26701 1 163 . 1 1 93 93 ALA H H 1 8.386 0.05 . 1 . . . . 140 ALA HN . 26701 1 164 . 1 1 93 93 ALA N N 15 116.246 0.2 . 1 . . . . 140 ALA N . 26701 1 165 . 1 1 94 94 TYR H H 1 9.047 0.05 . 1 . . . . 141 TYR HN . 26701 1 166 . 1 1 94 94 TYR N N 15 118.310 0.2 . 1 . . . . 141 TYR N . 26701 1 167 . 1 1 95 95 ALA H H 1 7.753 0.05 . 1 . . . . 142 ALA HN . 26701 1 168 . 1 1 95 95 ALA N N 15 120.359 0.2 . 1 . . . . 142 ALA N . 26701 1 169 . 1 1 96 96 ARG H H 1 8.954 0.05 . 1 . . . . 143 ARG HN . 26701 1 170 . 1 1 96 96 ARG N N 15 119.188 0.2 . 1 . . . . 143 ARG N . 26701 1 171 . 1 1 97 97 MET H H 1 7.977 0.05 . 1 . . . . 144 MET HN . 26701 1 172 . 1 1 97 97 MET N N 15 118.493 0.2 . 1 . . . . 144 MET N . 26701 1 173 . 1 1 98 98 GLY H H 1 8.418 0.05 . 1 . . . . 145 GLY HN . 26701 1 174 . 1 1 98 98 GLY N N 15 105.661 0.2 . 1 . . . . 145 GLY N . 26701 1 175 . 1 1 99 99 HIS H H 1 7.872 0.05 . 1 . . . . 146 HIS HN . 26701 1 176 . 1 1 99 99 HIS N N 15 119.327 0.2 . 1 . . . . 146 HIS N . 26701 1 177 . 1 1 100 100 ALA H H 1 8.548 0.05 . 1 . . . . 147 ALA HN . 26701 1 178 . 1 1 100 100 ALA N N 15 121.751 0.2 . 1 . . . . 147 ALA N . 26701 1 179 . 1 1 101 101 LEU H H 1 8.385 0.05 . 1 . . . . 148 LEU HN . 26701 1 180 . 1 1 101 101 LEU N N 15 116.326 0.2 . 1 . . . . 148 LEU N . 26701 1 181 . 1 1 102 102 GLU H H 1 7.765 0.05 . 1 . . . . 149 GLU HN . 26701 1 182 . 1 1 102 102 GLU N N 15 117.200 0.2 . 1 . . . . 149 GLU N . 26701 1 183 . 1 1 103 103 GLU H H 1 8.055 0.05 . 1 . . . . 150 GLU HN . 26701 1 184 . 1 1 103 103 GLU N N 15 117.810 0.2 . 1 . . . . 150 GLU N . 26701 1 185 . 1 1 104 104 ILE H H 1 8.499 0.05 . 1 . . . . 151 ILE HN . 26701 1 186 . 1 1 104 104 ILE N N 15 118.038 0.2 . 1 . . . . 151 ILE N . 26701 1 187 . 1 1 105 105 LYS H H 1 7.399 0.05 . 1 . . . . 152 LYS HN . 26701 1 188 . 1 1 105 105 LYS N N 15 120.175 0.2 . 1 . . . . 152 LYS N . 26701 1 189 . 1 1 106 106 LYS H H 1 7.421 0.05 . 1 . . . . 153 LYS HN . 26701 1 190 . 1 1 106 106 LYS N N 15 115.189 0.2 . 1 . . . . 153 LYS N . 26701 1 191 . 1 1 107 107 PHE H H 1 7.843 0.05 . 1 . . . . 154 PHE HN . 26701 1 192 . 1 1 107 107 PHE N N 15 116.936 0.2 . 1 . . . . 154 PHE N . 26701 1 193 . 1 1 108 108 LEU H H 1 7.274 0.05 . 1 . . . . 155 LEU HN . 26701 1 194 . 1 1 108 108 LEU N N 15 115.803 0.2 . 1 . . . . 155 LEU N . 26701 1 195 . 1 1 109 109 ILE H H 1 6.929 0.05 . 1 . . . . 156 ILE HN . 26701 1 196 . 1 1 109 109 ILE N N 15 118.120 0.2 . 1 . . . . 156 ILE N . 26701 1 197 . 1 1 111 111 ASP H H 1 6.324 0.05 . 1 . . . . 158 ASP HN . 26701 1 198 . 1 1 111 111 ASP N N 15 119.166 0.2 . 1 . . . . 158 ASP N . 26701 1 199 . 1 1 112 112 TYR H H 1 7.850 0.05 . 1 . . . . 159 TYR HN . 26701 1 200 . 1 1 112 112 TYR N N 15 119.344 0.2 . 1 . . . . 159 TYR N . 26701 1 201 . 1 1 113 113 ASN H H 1 7.910 0.05 . 1 . . . . 160 ASN HN . 26701 1 202 . 1 1 113 113 ASN N N 15 124.908 0.2 . 1 . . . . 160 ASN N . 26701 1 stop_ save_