data_50191 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50191 _Entry.Title ; RBM5 RRM1-Zf1-C191G ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-02-04 _Entry.Accession_date 2020-02-04 _Entry.Last_release_date 2020-02-04 _Entry.Original_release_date 2020-02-04 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _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 1 _Entry.Generated_software_label $software_1_Analysis _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Komal Soni . . . 0000-0002-7160-3189 50191 2 Michael Sattler . . . 0000-0002-1594-0527 50191 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50191 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 106 50191 '1H chemical shifts' 106 50191 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 . . 2020-07-13 2020-02-04 update BMRB 'update entry citation' 50191 1 . . 2020-06-09 2020-02-04 original author 'original release' 50191 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50187 'RBM5 RRM1-Zf1, wild type' 50191 BMRB 51057 'RBM5 RRM1' 50191 BMRB 51058 'RBM5 RRM1-ZnF1-RRM2 (C191G)' 50191 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50191 _Citation.ID 1 _Citation.Name 'RBM5 RRM1-Zf1 C191G' _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32450081 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Conformational Dynamics From Ambiguous Zinc Coordination in the RanBP2-Type Zinc Finger of RBM5 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 432 _Citation.Journal_issue 14 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1089-8638 _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 4127 _Citation.Page_last 4138 _Citation.Year 2020 _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 Komal Soni K. . . . 50191 1 2 Santiago Martinez-Lumbreras S. . . . 50191 1 3 Michael Sattler M. . . . 50191 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID RBM5 50191 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50191 _Assembly.ID 1 _Assembly.Name 'monomer RRM1-Zf1 C191G' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 RRM1-Zf1 1 $entity_1 . . yes native no no . . . 50191 1 2 Zn 2 $entity_ZN . . no native no no . . . 50191 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50191 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGERESKTIMLRGLPTTITE SDIREMMESFEGPQPADVRL MKRKTGVSRGFAFVEFYHLQ DATSWMEANQKKLVIQGKHI AMHYSNPRPKFEDWLCNKCG LNNFRKRLKCFRCGADKFD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 92-210 _Entity.Polymer_author_seq_details 'Sequence numbering starts from 92 and residues 92, 93 are cloning artifacts.' _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 . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free disulfide and other bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation 'I107T, C191G' _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 NCBI NP_005769.1 . RBM5 . . . . . . . . . . . . . . 50191 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 92 MET . 50191 1 2 93 GLY . 50191 1 3 94 GLU . 50191 1 4 95 ARG . 50191 1 5 96 GLU . 50191 1 6 97 SER . 50191 1 7 98 LYS . 50191 1 8 99 THR . 50191 1 9 100 ILE . 50191 1 10 101 MET . 50191 1 11 102 LEU . 50191 1 12 103 ARG . 50191 1 13 104 GLY . 50191 1 14 105 LEU . 50191 1 15 106 PRO . 50191 1 16 107 THR . 50191 1 17 108 THR . 50191 1 18 109 ILE . 50191 1 19 110 THR . 50191 1 20 111 GLU . 50191 1 21 112 SER . 50191 1 22 113 ASP . 50191 1 23 114 ILE . 50191 1 24 115 ARG . 50191 1 25 116 GLU . 50191 1 26 117 MET . 50191 1 27 118 MET . 50191 1 28 119 GLU . 50191 1 29 120 SER . 50191 1 30 121 PHE . 50191 1 31 122 GLU . 50191 1 32 123 GLY . 50191 1 33 124 PRO . 50191 1 34 125 GLN . 50191 1 35 126 PRO . 50191 1 36 127 ALA . 50191 1 37 128 ASP . 50191 1 38 129 VAL . 50191 1 39 130 ARG . 50191 1 40 131 LEU . 50191 1 41 132 MET . 50191 1 42 133 LYS . 50191 1 43 134 ARG . 50191 1 44 135 LYS . 50191 1 45 136 THR . 50191 1 46 137 GLY . 50191 1 47 138 VAL . 50191 1 48 139 SER . 50191 1 49 140 ARG . 50191 1 50 141 GLY . 50191 1 51 142 PHE . 50191 1 52 143 ALA . 50191 1 53 144 PHE . 50191 1 54 145 VAL . 50191 1 55 146 GLU . 50191 1 56 147 PHE . 50191 1 57 148 TYR . 50191 1 58 149 HIS . 50191 1 59 150 LEU . 50191 1 60 151 GLN . 50191 1 61 152 ASP . 50191 1 62 153 ALA . 50191 1 63 154 THR . 50191 1 64 155 SER . 50191 1 65 156 TRP . 50191 1 66 157 MET . 50191 1 67 158 GLU . 50191 1 68 159 ALA . 50191 1 69 160 ASN . 50191 1 70 161 GLN . 50191 1 71 162 LYS . 50191 1 72 163 LYS . 50191 1 73 164 LEU . 50191 1 74 165 VAL . 50191 1 75 166 ILE . 50191 1 76 167 GLN . 50191 1 77 168 GLY . 50191 1 78 169 LYS . 50191 1 79 170 HIS . 50191 1 80 171 ILE . 50191 1 81 172 ALA . 50191 1 82 173 MET . 50191 1 83 174 HIS . 50191 1 84 175 TYR . 50191 1 85 176 SER . 50191 1 86 177 ASN . 50191 1 87 178 PRO . 50191 1 88 179 ARG . 50191 1 89 180 PRO . 50191 1 90 181 LYS . 50191 1 91 182 PHE . 50191 1 92 183 GLU . 50191 1 93 184 ASP . 50191 1 94 185 TRP . 50191 1 95 186 LEU . 50191 1 96 187 CYS . 50191 1 97 188 ASN . 50191 1 98 189 LYS . 50191 1 99 190 CYS . 50191 1 100 191 GLY . 50191 1 101 192 LEU . 50191 1 102 193 ASN . 50191 1 103 194 ASN . 50191 1 104 195 PHE . 50191 1 105 196 ARG . 50191 1 106 197 LYS . 50191 1 107 198 ARG . 50191 1 108 199 LEU . 50191 1 109 200 LYS . 50191 1 110 201 CYS . 50191 1 111 202 PHE . 50191 1 112 203 ARG . 50191 1 113 204 CYS . 50191 1 114 205 GLY . 50191 1 115 206 ALA . 50191 1 116 207 ASP . 50191 1 117 208 LYS . 50191 1 118 209 PHE . 50191 1 119 210 ASP . 50191 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 . MET 1 1 50191 1 . GLY 2 2 50191 1 . GLU 3 3 50191 1 . ARG 4 4 50191 1 . GLU 5 5 50191 1 . SER 6 6 50191 1 . LYS 7 7 50191 1 . THR 8 8 50191 1 . ILE 9 9 50191 1 . MET 10 10 50191 1 . LEU 11 11 50191 1 . ARG 12 12 50191 1 . GLY 13 13 50191 1 . LEU 14 14 50191 1 . PRO 15 15 50191 1 . THR 16 16 50191 1 . THR 17 17 50191 1 . ILE 18 18 50191 1 . THR 19 19 50191 1 . GLU 20 20 50191 1 . SER 21 21 50191 1 . ASP 22 22 50191 1 . ILE 23 23 50191 1 . ARG 24 24 50191 1 . GLU 25 25 50191 1 . MET 26 26 50191 1 . MET 27 27 50191 1 . GLU 28 28 50191 1 . SER 29 29 50191 1 . PHE 30 30 50191 1 . GLU 31 31 50191 1 . GLY 32 32 50191 1 . PRO 33 33 50191 1 . GLN 34 34 50191 1 . PRO 35 35 50191 1 . ALA 36 36 50191 1 . ASP 37 37 50191 1 . VAL 38 38 50191 1 . ARG 39 39 50191 1 . LEU 40 40 50191 1 . MET 41 41 50191 1 . LYS 42 42 50191 1 . ARG 43 43 50191 1 . LYS 44 44 50191 1 . THR 45 45 50191 1 . GLY 46 46 50191 1 . VAL 47 47 50191 1 . SER 48 48 50191 1 . ARG 49 49 50191 1 . GLY 50 50 50191 1 . PHE 51 51 50191 1 . ALA 52 52 50191 1 . PHE 53 53 50191 1 . VAL 54 54 50191 1 . GLU 55 55 50191 1 . PHE 56 56 50191 1 . TYR 57 57 50191 1 . HIS 58 58 50191 1 . LEU 59 59 50191 1 . GLN 60 60 50191 1 . ASP 61 61 50191 1 . ALA 62 62 50191 1 . THR 63 63 50191 1 . SER 64 64 50191 1 . TRP 65 65 50191 1 . MET 66 66 50191 1 . GLU 67 67 50191 1 . ALA 68 68 50191 1 . ASN 69 69 50191 1 . GLN 70 70 50191 1 . LYS 71 71 50191 1 . LYS 72 72 50191 1 . LEU 73 73 50191 1 . VAL 74 74 50191 1 . ILE 75 75 50191 1 . GLN 76 76 50191 1 . GLY 77 77 50191 1 . LYS 78 78 50191 1 . HIS 79 79 50191 1 . ILE 80 80 50191 1 . ALA 81 81 50191 1 . MET 82 82 50191 1 . HIS 83 83 50191 1 . TYR 84 84 50191 1 . SER 85 85 50191 1 . ASN 86 86 50191 1 . PRO 87 87 50191 1 . ARG 88 88 50191 1 . PRO 89 89 50191 1 . LYS 90 90 50191 1 . PHE 91 91 50191 1 . GLU 92 92 50191 1 . ASP 93 93 50191 1 . TRP 94 94 50191 1 . LEU 95 95 50191 1 . CYS 96 96 50191 1 . ASN 97 97 50191 1 . LYS 98 98 50191 1 . CYS 99 99 50191 1 . GLY 100 100 50191 1 . LEU 101 101 50191 1 . ASN 102 102 50191 1 . ASN 103 103 50191 1 . PHE 104 104 50191 1 . ARG 105 105 50191 1 . LYS 106 106 50191 1 . ARG 107 107 50191 1 . LEU 108 108 50191 1 . LYS 109 109 50191 1 . CYS 110 110 50191 1 . PHE 111 111 50191 1 . ARG 112 112 50191 1 . CYS 113 113 50191 1 . GLY 114 114 50191 1 . ALA 115 115 50191 1 . ASP 116 116 50191 1 . LYS 117 117 50191 1 . PHE 118 118 50191 1 . ASP 119 119 50191 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 50191 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name entity_ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 50191 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 50191 2 ZN 'Three letter code' 50191 2 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 1 ZN $chem_comp_ZN 50191 2 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50191 _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 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 50191 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50191 _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 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' . . plasmid . . pET28a . . . 50191 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 50191 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 50191 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 50191 ZN [Zn++] SMILES CACTVS 3.341 50191 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 50191 ZN [Zn+2] SMILES ACDLabs 10.04 50191 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 50191 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 50191 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 50191 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 50191 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN ZN ZN ZN . ZN . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 50191 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50191 _Sample.ID 1 _Sample.Name 'RRM1-Zf1 C191G: 15N sample' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 entity_1 [U-15] . . 1 $entity_1 . . . . . mM . . . . 50191 1 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 50191 1 3 'sodium chloride' 'natural abundance' . . . . . . 400 . . mM . . . . 50191 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 50191 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 50191 _Sample_condition_list.ID 1 _Sample_condition_list.Name conditions_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' 0.4 . M 50191 1 pH 6.5 . pH 50191 1 pressure 1 . atm 50191 1 temperature 298 . K 50191 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1_Analysis _Software.Sf_category software _Software.Sf_framecode software_1_Analysis _Software.Entry_ID 50191 _Software.ID 1 _Software.Type . _Software.Name Analysis _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 50191 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50191 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1_800 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1_800 _NMR_spectrometer.Entry_ID 50191 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 800 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2_600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2_600 _NMR_spectrometer.Entry_ID 50191 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 600 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50191 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1_800 . . . . . . . . . . . . . . . . . 50191 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 50191 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name R1Zf1C191G _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 C 13 water protons . . . . ppm 4.7 internal direct 1 . . . . . 50191 1 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . 50191 1 N 15 water protons . . . . ppm 4.7 internal direct 1 . . . . . 50191 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 50191 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name R1Zf1-C191G _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 50191 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 4 4 ARG H H 1 8.391 0.000 . . . . . . . 95 ARG HN . 50191 1 2 . 1 . 1 4 4 ARG N N 15 122.537 0.000 . . . . . . . 95 ARG N . 50191 1 3 . 1 . 1 5 5 GLU H H 1 8.171 0.000 . . . . . . . 96 GLU HN . 50191 1 4 . 1 . 1 5 5 GLU N N 15 120.931 0.000 . . . . . . . 96 GLU N . 50191 1 5 . 1 . 1 6 6 SER H H 1 6.459 0.000 . . . . . . . 97 SER HN . 50191 1 6 . 1 . 1 6 6 SER N N 15 116.051 0.000 . . . . . . . 97 SER N . 50191 1 7 . 1 . 1 7 7 LYS H H 1 7.973 0.000 . . . . . . . 98 LYS HN . 50191 1 8 . 1 . 1 7 7 LYS N N 15 116.443 0.000 . . . . . . . 98 LYS N . 50191 1 9 . 1 . 1 8 8 THR H H 1 8.405 0.000 . . . . . . . 99 THR HN . 50191 1 10 . 1 . 1 8 8 THR N N 15 115.645 0.000 . . . . . . . 99 THR N . 50191 1 11 . 1 . 1 9 9 ILE H H 1 9.316 0.000 . . . . . . . 100 ILE HN . 50191 1 12 . 1 . 1 9 9 ILE N N 15 125.804 0.000 . . . . . . . 100 ILE N . 50191 1 13 . 1 . 1 10 10 MET H H 1 9.320 0.000 . . . . . . . 101 MET HN . 50191 1 14 . 1 . 1 10 10 MET N N 15 126.015 0.000 . . . . . . . 101 MET N . 50191 1 15 . 1 . 1 11 11 LEU H H 1 8.942 0.000 . . . . . . . 102 LEU HN . 50191 1 16 . 1 . 1 11 11 LEU N N 15 125.265 0.000 . . . . . . . 102 LEU N . 50191 1 17 . 1 . 1 12 12 ARG H H 1 8.685 0.000 . . . . . . . 103 ARG HN . 50191 1 18 . 1 . 1 12 12 ARG N N 15 119.875 0.000 . . . . . . . 103 ARG N . 50191 1 19 . 1 . 1 13 13 GLY H H 1 8.215 0.000 . . . . . . . 104 GLY HN . 50191 1 20 . 1 . 1 13 13 GLY N N 15 109.192 0.000 . . . . . . . 104 GLY N . 50191 1 21 . 1 . 1 14 14 LEU H H 1 8.084 0.000 . . . . . . . 105 LEU HN . 50191 1 22 . 1 . 1 14 14 LEU N N 15 119.226 0.000 . . . . . . . 105 LEU N . 50191 1 23 . 1 . 1 16 16 THR H H 1 8.881 0.000 . . . . . . . 107 THR HN . 50191 1 24 . 1 . 1 16 16 THR N N 15 116.062 0.000 . . . . . . . 107 THR N . 50191 1 25 . 1 . 1 17 17 THR H H 1 7.086 0.000 . . . . . . . 108 THR HN . 50191 1 26 . 1 . 1 17 17 THR N N 15 106.745 0.000 . . . . . . . 108 THR N . 50191 1 27 . 1 . 1 18 18 ILE H H 1 6.936 0.000 . . . . . . . 109 ILE HN . 50191 1 28 . 1 . 1 18 18 ILE N N 15 121.262 0.000 . . . . . . . 109 ILE N . 50191 1 29 . 1 . 1 19 19 THR H H 1 9.056 0.000 . . . . . . . 110 THR HN . 50191 1 30 . 1 . 1 19 19 THR N N 15 118.700 0.000 . . . . . . . 110 THR N . 50191 1 31 . 1 . 1 20 20 GLU H H 1 9.256 0.000 . . . . . . . 111 GLU HN . 50191 1 32 . 1 . 1 20 20 GLU N N 15 121.038 0.000 . . . . . . . 111 GLU N . 50191 1 33 . 1 . 1 21 21 SER H H 1 8.270 0.000 . . . . . . . 112 SER HN . 50191 1 34 . 1 . 1 21 21 SER N N 15 113.668 0.000 . . . . . . . 112 SER N . 50191 1 35 . 1 . 1 22 22 ASP H H 1 7.616 0.000 . . . . . . . 113 ASP HN . 50191 1 36 . 1 . 1 22 22 ASP N N 15 121.925 0.000 . . . . . . . 113 ASP N . 50191 1 37 . 1 . 1 23 23 ILE H H 1 7.654 0.000 . . . . . . . 114 ILE HN . 50191 1 38 . 1 . 1 23 23 ILE N N 15 119.304 0.000 . . . . . . . 114 ILE N . 50191 1 39 . 1 . 1 24 24 ARG H H 1 8.159 0.000 . . . . . . . 115 ARG HN . 50191 1 40 . 1 . 1 24 24 ARG N N 15 120.003 0.000 . . . . . . . 115 ARG N . 50191 1 41 . 1 . 1 25 25 GLU H H 1 8.155 0.000 . . . . . . . 116 GLU HN . 50191 1 42 . 1 . 1 25 25 GLU N N 15 118.690 0.000 . . . . . . . 116 GLU N . 50191 1 43 . 1 . 1 26 26 MET H H 1 7.841 0.000 . . . . . . . 117 MET HN . 50191 1 44 . 1 . 1 26 26 MET N N 15 119.254 0.000 . . . . . . . 117 MET N . 50191 1 45 . 1 . 1 27 27 MET H H 1 7.980 0.000 . . . . . . . 118 MET HN . 50191 1 46 . 1 . 1 27 27 MET N N 15 117.140 0.000 . . . . . . . 118 MET N . 50191 1 47 . 1 . 1 28 28 GLU H H 1 7.761 0.000 . . . . . . . 119 GLU HN . 50191 1 48 . 1 . 1 28 28 GLU N N 15 118.845 0.000 . . . . . . . 119 GLU N . 50191 1 49 . 1 . 1 29 29 SER H H 1 7.645 0.000 . . . . . . . 120 SER HN . 50191 1 50 . 1 . 1 29 29 SER N N 15 112.916 0.000 . . . . . . . 120 SER N . 50191 1 51 . 1 . 1 30 30 PHE H H 1 7.496 0.000 . . . . . . . 121 PHE HN . 50191 1 52 . 1 . 1 30 30 PHE N N 15 122.207 0.000 . . . . . . . 121 PHE N . 50191 1 53 . 1 . 1 31 31 GLU H H 1 8.445 0.000 . . . . . . . 122 GLU HN . 50191 1 54 . 1 . 1 31 31 GLU N N 15 121.479 0.000 . . . . . . . 122 GLU N . 50191 1 55 . 1 . 1 32 32 GLY H H 1 8.025 0.000 . . . . . . . 123 GLY HN . 50191 1 56 . 1 . 1 32 32 GLY N N 15 108.625 0.000 . . . . . . . 123 GLY N . 50191 1 57 . 1 . 1 34 34 GLN H H 1 8.400 0.000 . . . . . . . 125 GLN HN . 50191 1 58 . 1 . 1 34 34 GLN N N 15 120.052 0.000 . . . . . . . 125 GLN N . 50191 1 59 . 1 . 1 36 36 ALA H H 1 8.504 0.000 . . . . . . . 127 ALA HN . 50191 1 60 . 1 . 1 36 36 ALA N N 15 123.567 0.000 . . . . . . . 127 ALA N . 50191 1 61 . 1 . 1 37 37 ASP H H 1 7.412 0.000 . . . . . . . 128 ASP HN . 50191 1 62 . 1 . 1 37 37 ASP N N 15 113.262 0.000 . . . . . . . 128 ASP N . 50191 1 63 . 1 . 1 38 38 VAL H H 1 7.798 0.000 . . . . . . . 129 VAL HN . 50191 1 64 . 1 . 1 38 38 VAL N N 15 121.852 0.000 . . . . . . . 129 VAL N . 50191 1 65 . 1 . 1 39 39 ARG H H 1 8.887 0.000 . . . . . . . 130 ARG HN . 50191 1 66 . 1 . 1 39 39 ARG N N 15 125.036 0.000 . . . . . . . 130 ARG N . 50191 1 67 . 1 . 1 40 40 LEU H H 1 9.405 0.000 . . . . . . . 131 LEU HN . 50191 1 68 . 1 . 1 40 40 LEU N N 15 127.374 0.000 . . . . . . . 131 LEU N . 50191 1 69 . 1 . 1 41 41 MET H H 1 8.112 0.000 . . . . . . . 132 MET HN . 50191 1 70 . 1 . 1 41 41 MET N N 15 125.159 0.000 . . . . . . . 132 MET N . 50191 1 71 . 1 . 1 42 42 LYS H H 1 8.435 0.000 . . . . . . . 133 LYS HN . 50191 1 72 . 1 . 1 42 42 LYS N N 15 121.478 0.000 . . . . . . . 133 LYS N . 50191 1 73 . 1 . 1 43 43 ARG H H 1 8.747 0.000 . . . . . . . 134 ARG HN . 50191 1 74 . 1 . 1 43 43 ARG N N 15 120.397 0.000 . . . . . . . 134 ARG N . 50191 1 75 . 1 . 1 45 45 THR H H 1 7.200 0.000 . . . . . . . 136 THR HN . 50191 1 76 . 1 . 1 45 45 THR N N 15 106.719 0.000 . . . . . . . 136 THR N . 50191 1 77 . 1 . 1 46 46 GLY H H 1 8.174 0.000 . . . . . . . 137 GLY HN . 50191 1 78 . 1 . 1 46 46 GLY N N 15 109.467 0.000 . . . . . . . 137 GLY N . 50191 1 79 . 1 . 1 47 47 VAL H H 1 7.163 0.000 . . . . . . . 138 VAL HN . 50191 1 80 . 1 . 1 47 47 VAL N N 15 118.814 0.000 . . . . . . . 138 VAL N . 50191 1 81 . 1 . 1 48 48 SER H H 1 8.632 0.000 . . . . . . . 139 SER HN . 50191 1 82 . 1 . 1 48 48 SER N N 15 119.478 0.000 . . . . . . . 139 SER N . 50191 1 83 . 1 . 1 49 49 ARG H H 1 8.673 0.000 . . . . . . . 140 ARG HN . 50191 1 84 . 1 . 1 49 49 ARG N N 15 122.110 0.000 . . . . . . . 140 ARG N . 50191 1 85 . 1 . 1 50 50 GLY H H 1 8.910 0.000 . . . . . . . 141 GLY HN . 50191 1 86 . 1 . 1 50 50 GLY N N 15 106.798 0.000 . . . . . . . 141 GLY N . 50191 1 87 . 1 . 1 52 52 ALA H H 1 8.554 0.000 . . . . . . . 143 ALA HN . 50191 1 88 . 1 . 1 52 52 ALA N N 15 120.296 0.000 . . . . . . . 143 ALA N . 50191 1 89 . 1 . 1 53 53 PHE H H 1 8.988 0.000 . . . . . . . 144 PHE HN . 50191 1 90 . 1 . 1 53 53 PHE N N 15 118.185 0.000 . . . . . . . 144 PHE N . 50191 1 91 . 1 . 1 54 54 VAL H H 1 9.480 0.000 . . . . . . . 145 VAL HN . 50191 1 92 . 1 . 1 54 54 VAL N N 15 124.268 0.000 . . . . . . . 145 VAL N . 50191 1 93 . 1 . 1 55 55 GLU H H 1 8.277 0.000 . . . . . . . 146 GLU HN . 50191 1 94 . 1 . 1 55 55 GLU N N 15 126.011 0.000 . . . . . . . 146 GLU N . 50191 1 95 . 1 . 1 56 56 PHE H H 1 8.969 0.000 . . . . . . . 147 PHE HN . 50191 1 96 . 1 . 1 56 56 PHE N N 15 123.046 0.000 . . . . . . . 147 PHE N . 50191 1 97 . 1 . 1 57 57 TYR H H 1 9.725 0.000 . . . . . . . 148 TYR HN . 50191 1 98 . 1 . 1 57 57 TYR N N 15 118.787 0.000 . . . . . . . 148 TYR N . 50191 1 99 . 1 . 1 58 58 HIS H H 1 7.324 0.000 . . . . . . . 149 HIS HN . 50191 1 100 . 1 . 1 58 58 HIS N N 15 111.072 0.000 . . . . . . . 149 HIS N . 50191 1 101 . 1 . 1 60 60 GLN H H 1 9.238 0.000 . . . . . . . 151 GLN HN . 50191 1 102 . 1 . 1 60 60 GLN N N 15 115.983 0.000 . . . . . . . 151 GLN N . 50191 1 103 . 1 . 1 61 61 ASP H H 1 7.215 0.000 . . . . . . . 152 ASP HN . 50191 1 104 . 1 . 1 61 61 ASP N N 15 119.542 0.000 . . . . . . . 152 ASP N . 50191 1 105 . 1 . 1 62 62 ALA H H 1 6.902 0.000 . . . . . . . 153 ALA HN . 50191 1 106 . 1 . 1 62 62 ALA N N 15 122.186 0.000 . . . . . . . 153 ALA N . 50191 1 107 . 1 . 1 63 63 THR H H 1 8.518 0.000 . . . . . . . 154 THR HN . 50191 1 108 . 1 . 1 63 63 THR N N 15 109.504 0.000 . . . . . . . 154 THR N . 50191 1 109 . 1 . 1 64 64 SER H H 1 7.850 0.000 . . . . . . . 155 SER HN . 50191 1 110 . 1 . 1 64 64 SER N N 15 118.776 0.000 . . . . . . . 155 SER N . 50191 1 111 . 1 . 1 65 65 TRP H H 1 8.155 0.000 . . . . . . . 156 TRP HN . 50191 1 112 . 1 . 1 65 65 TRP N N 15 124.961 0.000 . . . . . . . 156 TRP N . 50191 1 113 . 1 . 1 66 66 MET H H 1 8.717 0.000 . . . . . . . 157 MET HN . 50191 1 114 . 1 . 1 66 66 MET N N 15 119.635 0.000 . . . . . . . 157 MET N . 50191 1 115 . 1 . 1 67 67 GLU H H 1 8.168 0.000 . . . . . . . 158 GLU HN . 50191 1 116 . 1 . 1 67 67 GLU N N 15 117.584 0.000 . . . . . . . 158 GLU N . 50191 1 117 . 1 . 1 68 68 ALA H H 1 7.607 0.000 . . . . . . . 159 ALA HN . 50191 1 118 . 1 . 1 68 68 ALA N N 15 118.550 0.000 . . . . . . . 159 ALA N . 50191 1 119 . 1 . 1 70 70 GLN H H 1 8.076 0.000 . . . . . . . 161 GLN HN . 50191 1 120 . 1 . 1 70 70 GLN N N 15 120.284 0.000 . . . . . . . 161 GLN N . 50191 1 121 . 1 . 1 71 71 LYS H H 1 8.532 0.000 . . . . . . . 162 LYS HN . 50191 1 122 . 1 . 1 71 71 LYS N N 15 114.918 0.000 . . . . . . . 162 LYS N . 50191 1 123 . 1 . 1 72 72 LYS H H 1 7.607 0.000 . . . . . . . 163 LYS HN . 50191 1 124 . 1 . 1 72 72 LYS N N 15 117.861 0.000 . . . . . . . 163 LYS N . 50191 1 125 . 1 . 1 73 73 LEU H H 1 7.988 0.000 . . . . . . . 164 LEU HN . 50191 1 126 . 1 . 1 73 73 LEU N N 15 121.893 0.000 . . . . . . . 164 LEU N . 50191 1 127 . 1 . 1 74 74 VAL H H 1 8.090 0.000 . . . . . . . 165 VAL HN . 50191 1 128 . 1 . 1 74 74 VAL N N 15 127.568 0.000 . . . . . . . 165 VAL N . 50191 1 129 . 1 . 1 75 75 ILE H H 1 8.479 0.000 . . . . . . . 166 ILE HN . 50191 1 130 . 1 . 1 75 75 ILE N N 15 124.906 0.000 . . . . . . . 166 ILE N . 50191 1 131 . 1 . 1 76 76 GLN H H 1 9.437 0.000 . . . . . . . 167 GLN HN . 50191 1 132 . 1 . 1 76 76 GLN N N 15 126.886 0.000 . . . . . . . 167 GLN N . 50191 1 133 . 1 . 1 77 77 GLY H H 1 8.242 0.000 . . . . . . . 168 GLY HN . 50191 1 134 . 1 . 1 77 77 GLY N N 15 102.699 0.000 . . . . . . . 168 GLY N . 50191 1 135 . 1 . 1 78 78 LYS H H 1 7.861 0.000 . . . . . . . 169 LYS HN . 50191 1 136 . 1 . 1 78 78 LYS N N 15 121.462 0.000 . . . . . . . 169 LYS N . 50191 1 137 . 1 . 1 79 79 HIS H H 1 8.821 0.000 . . . . . . . 170 HIS HN . 50191 1 138 . 1 . 1 79 79 HIS N N 15 122.964 0.000 . . . . . . . 170 HIS N . 50191 1 139 . 1 . 1 80 80 ILE H H 1 8.249 0.000 . . . . . . . 171 ILE HN . 50191 1 140 . 1 . 1 80 80 ILE N N 15 127.028 0.000 . . . . . . . 171 ILE N . 50191 1 141 . 1 . 1 81 81 ALA H H 1 8.159 0.000 . . . . . . . 172 ALA HN . 50191 1 142 . 1 . 1 81 81 ALA N N 15 130.240 0.000 . . . . . . . 172 ALA N . 50191 1 143 . 1 . 1 82 82 MET H H 1 8.060 0.000 . . . . . . . 173 MET HN . 50191 1 144 . 1 . 1 82 82 MET N N 15 117.677 0.000 . . . . . . . 173 MET N . 50191 1 145 . 1 . 1 83 83 HIS H H 1 8.343 0.000 . . . . . . . 174 HIS HN . 50191 1 146 . 1 . 1 83 83 HIS N N 15 117.117 0.000 . . . . . . . 174 HIS N . 50191 1 147 . 1 . 1 84 84 TYR H H 1 8.815 0.000 . . . . . . . 175 TYR HN . 50191 1 148 . 1 . 1 84 84 TYR N N 15 122.421 0.000 . . . . . . . 175 TYR N . 50191 1 149 . 1 . 1 85 85 SER H H 1 8.638 0.000 . . . . . . . 176 SER HN . 50191 1 150 . 1 . 1 85 85 SER N N 15 114.477 0.000 . . . . . . . 176 SER N . 50191 1 151 . 1 . 1 86 86 ASN H H 1 9.196 0.000 . . . . . . . 177 ASN HN . 50191 1 152 . 1 . 1 86 86 ASN N N 15 125.675 0.000 . . . . . . . 177 ASN N . 50191 1 153 . 1 . 1 88 88 ARG H H 1 8.928 0.000 . . . . . . . 179 ARG HN . 50191 1 154 . 1 . 1 88 88 ARG N N 15 124.413 0.000 . . . . . . . 179 ARG N . 50191 1 155 . 1 . 1 90 90 LYS H H 1 8.421 0.000 . . . . . . . 181 LYS HN . 50191 1 156 . 1 . 1 90 90 LYS N N 15 122.530 0.000 . . . . . . . 181 LYS N . 50191 1 157 . 1 . 1 91 91 PHE H H 1 8.482 0.000 . . . . . . . 182 PHE HN . 50191 1 158 . 1 . 1 91 91 PHE N N 15 117.544 0.000 . . . . . . . 182 PHE N . 50191 1 159 . 1 . 1 92 92 GLU H H 1 7.145 0.000 . . . . . . . 183 GLU HN . 50191 1 160 . 1 . 1 92 92 GLU N N 15 116.878 0.000 . . . . . . . 183 GLU N . 50191 1 161 . 1 . 1 93 93 ASP H H 1 8.421 0.000 . . . . . . . 184 ASP HN . 50191 1 162 . 1 . 1 93 93 ASP N N 15 123.240 0.000 . . . . . . . 184 ASP N . 50191 1 163 . 1 . 1 94 94 TRP H H 1 8.231 0.000 . . . . . . . 185 TRP HN . 50191 1 164 . 1 . 1 94 94 TRP N N 15 116.003 0.000 . . . . . . . 185 TRP N . 50191 1 165 . 1 . 1 95 95 LEU H H 1 9.345 0.000 . . . . . . . 186 LEU HN . 50191 1 166 . 1 . 1 95 95 LEU N N 15 122.125 0.000 . . . . . . . 186 LEU N . 50191 1 167 . 1 . 1 96 96 CYS H H 1 8.795 0.000 . . . . . . . 187 CYS HN . 50191 1 168 . 1 . 1 96 96 CYS N N 15 129.828 0.000 . . . . . . . 187 CYS N . 50191 1 169 . 1 . 1 97 97 ASN H H 1 9.150 0.000 . . . . . . . 188 ASN HN . 50191 1 170 . 1 . 1 97 97 ASN N N 15 127.879 0.000 . . . . . . . 188 ASN N . 50191 1 171 . 1 . 1 98 98 LYS H H 1 9.439 0.000 . . . . . . . 189 LYS HN . 50191 1 172 . 1 . 1 98 98 LYS N N 15 122.844 0.000 . . . . . . . 189 LYS N . 50191 1 173 . 1 . 1 99 99 CYS H H 1 9.010 0.000 . . . . . . . 190 CYS HN . 50191 1 174 . 1 . 1 99 99 CYS N N 15 119.807 0.000 . . . . . . . 190 CYS N . 50191 1 175 . 1 . 1 100 100 GLY H H 1 7.430 0.000 . . . . . . . 191 GLY HN . 50191 1 176 . 1 . 1 100 100 GLY N N 15 112.604 0.000 . . . . . . . 191 GLY N . 50191 1 177 . 1 . 1 101 101 LEU H H 1 8.163 0.000 . . . . . . . 192 LEU HN . 50191 1 178 . 1 . 1 101 101 LEU N N 15 123.466 0.000 . . . . . . . 192 LEU N . 50191 1 179 . 1 . 1 102 102 ASN H H 1 8.462 0.000 . . . . . . . 193 ASN HN . 50191 1 180 . 1 . 1 102 102 ASN N N 15 124.185 0.000 . . . . . . . 193 ASN N . 50191 1 181 . 1 . 1 103 103 ASN H H 1 9.009 0.000 . . . . . . . 194 ASN HN . 50191 1 182 . 1 . 1 103 103 ASN N N 15 126.030 0.000 . . . . . . . 194 ASN N . 50191 1 183 . 1 . 1 104 104 PHE H H 1 7.793 0.000 . . . . . . . 195 PHE HN . 50191 1 184 . 1 . 1 104 104 PHE N N 15 119.114 0.000 . . . . . . . 195 PHE N . 50191 1 185 . 1 . 1 105 105 ARG H H 1 8.037 0.000 . . . . . . . 196 ARG HN . 50191 1 186 . 1 . 1 105 105 ARG N N 15 122.956 0.000 . . . . . . . 196 ARG N . 50191 1 187 . 1 . 1 107 107 ARG H H 1 8.462 0.000 . . . . . . . 198 ARG HN . 50191 1 188 . 1 . 1 107 107 ARG N N 15 118.909 0.000 . . . . . . . 198 ARG N . 50191 1 189 . 1 . 1 108 108 LEU H H 1 9.024 0.000 . . . . . . . 199 LEU HN . 50191 1 190 . 1 . 1 108 108 LEU N N 15 123.315 0.000 . . . . . . . 199 LEU N . 50191 1 191 . 1 . 1 109 109 LYS H H 1 7.666 0.000 . . . . . . . 200 LYS HN . 50191 1 192 . 1 . 1 109 109 LYS N N 15 117.037 0.000 . . . . . . . 200 LYS N . 50191 1 193 . 1 . 1 110 110 CYS H H 1 9.811 0.000 . . . . . . . 201 CYS HN . 50191 1 194 . 1 . 1 110 110 CYS N N 15 126.283 0.000 . . . . . . . 201 CYS N . 50191 1 195 . 1 . 1 111 111 PHE H H 1 9.249 0.000 . . . . . . . 202 PHE HN . 50191 1 196 . 1 . 1 111 111 PHE N N 15 131.712 0.000 . . . . . . . 202 PHE N . 50191 1 197 . 1 . 1 112 112 ARG H H 1 8.847 0.000 . . . . . . . 203 ARG HN . 50191 1 198 . 1 . 1 112 112 ARG N N 15 120.849 0.000 . . . . . . . 203 ARG N . 50191 1 199 . 1 . 1 113 113 CYS H H 1 8.418 0.000 . . . . . . . 204 CYS HN . 50191 1 200 . 1 . 1 113 113 CYS N N 15 118.433 0.000 . . . . . . . 204 CYS N . 50191 1 201 . 1 . 1 114 114 GLY H H 1 7.620 0.000 . . . . . . . 205 GLY HN . 50191 1 202 . 1 . 1 114 114 GLY N N 15 112.153 0.000 . . . . . . . 205 GLY N . 50191 1 203 . 1 . 1 115 115 ALA H H 1 8.921 0.000 . . . . . . . 206 ALA HN . 50191 1 204 . 1 . 1 115 115 ALA N N 15 125.801 0.000 . . . . . . . 206 ALA N . 50191 1 205 . 1 . 1 116 116 ASP H H 1 8.651 0.000 . . . . . . . 207 ASP HN . 50191 1 206 . 1 . 1 116 116 ASP N N 15 121.365 0.000 . . . . . . . 207 ASP N . 50191 1 207 . 1 . 1 117 117 LYS H H 1 7.479 0.000 . . . . . . . 208 LYS HN . 50191 1 208 . 1 . 1 117 117 LYS N N 15 124.563 0.000 . . . . . . . 208 LYS N . 50191 1 209 . 1 . 1 118 118 PHE H H 1 8.472 0.000 . . . . . . . 209 PHE HN . 50191 1 210 . 1 . 1 118 118 PHE N N 15 115.902 0.000 . . . . . . . 209 PHE N . 50191 1 211 . 1 . 1 119 119 ASP H H 1 7.319 0.000 . . . . . . . 210 ASP HN . 50191 1 212 . 1 . 1 119 119 ASP N N 15 125.419 0.000 . . . . . . . 210 ASP N . 50191 1 stop_ save_