data_6059 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6059 _Entry.Title ; Ras-induced losing of interaction between C1 and RBD domains of Nore1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-01-02 _Entry.Accession_date 2004-01-02 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Elena Guiberman . . . 6059 2 Sabine Wohlgemuth . . . 6059 3 Christian Herrmann . . . 6059 4 Stefan Harjes . . . 6059 5 Karl-Heinz Muller . . . 6059 6 Peter Bayer . . . 6059 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6059 coupling_constants 1 6059 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 110 6059 '1H chemical shifts' 329 6059 '15N chemical shifts' 55 6059 'coupling constants' 42 6059 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2008-07-01 . update BMRB 'update entry citation' 6059 2 . . 2006-01-23 . original author 'original release' 6059 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6059 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16698549 _Citation.Full_citation . _Citation.Title 'GTP-Ras disrupts the intramolecular complex of C1 and RA domains of Nore1' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full . _Citation.Journal_volume 14 _Citation.Journal_issue 5 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 881 _Citation.Page_last 888 _Citation.Year 2006 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Elena Harjes . . . 6059 1 2 Stefan Harjes . . . 6059 1 3 Sabine Wohlgemuth . . . 6059 1 4 Karl-Heinz Muller . . . 6059 1 5 Elmar Krieger . . . 6059 1 6 Christian Herrmann . . . 6059 1 7 Peter Bayer . . . 6059 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Nore1 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Nore1 _Assembly.Entry_ID 6059 _Assembly.ID 1 _Assembly.Name Nore1 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'other bound and free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6059 1 stop_ 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 'C1 domain, Nore1' 1 $Nore1 . . . native . . . . . 6059 1 2 'ZINC ION (2+), 1' 2 $ZN . . . native . . . . . 6059 1 3 'ZINC ION (2+), 2' 2 $ZN . . . native . . . . . 6059 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 1 . 1 CYS 25 25 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 6059 1 2 coordination single . 1 . 1 CYS 28 28 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 6059 1 3 coordination single . 1 . 1 CYS 50 50 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 6059 1 4 coordination single . 1 . 1 CYS 39 39 SG . 3 . 2 ZN 1 1 ZN . . . . . . . . . . 6059 1 5 coordination single . 1 . 1 CYS 42 42 SG . 3 . 2 ZN 1 1 ZN . . . . . . . . . . 6059 1 6 coordination single . 1 . 1 CYS 58 58 SG . 3 . 2 ZN 1 1 ZN . . . . . . . . . . 6059 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 . PDB 1RFH . . . . . . 6059 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID Nore1 system 6059 1 Nore1 abbreviation 6059 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID Ras-effektor 6059 1 Membran-binding 6059 1 Apoptosis 6059 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Nore1 _Entity.Sf_category entity _Entity.Sf_framecode Nore1 _Entity.Entry_ID 6059 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'putative Ras effector' _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 ; PRVLAERGEGHRFVELALRG GPGWCDLCGREVLRQALRCA NCKFTCHSECRSLIQLDCR ; _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 . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 59 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'other bound and free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8255 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1RFH . "Solution Structure Of The C1 Domain Of Nore1, A Novel Ras Effector" . . . . . 98.31 59 100.00 100.00 4.76e-32 . . . . 6059 1 2 no PDB 2FNF . "C1 Domain Of Nore1" . . . . . 100.00 72 100.00 100.00 2.98e-33 . . . . 6059 1 3 no DBJ BAE33312 . "unnamed protein product [Mus musculus]" . . . . . 100.00 413 100.00 100.00 5.24e-33 . . . . 6059 1 4 no GB AAC08580 . "putative ras effector Nore1 [Mus musculus]" . . . . . 100.00 413 100.00 100.00 5.74e-33 . . . . 6059 1 5 no GB AAH89605 . "Ras association (RalGDS/AF-6) domain family member 5 [Mus musculus]" . . . . . 100.00 413 100.00 100.00 5.24e-33 . . . . 6059 1 6 no GB EDL39713 . "Ras association (RalGDS/AF-6) domain family 5, isoform CRA_a [Mus musculus]" . . . . . 100.00 413 100.00 100.00 5.24e-33 . . . . 6059 1 7 no GB EDL39714 . "Ras association (RalGDS/AF-6) domain family 5, isoform CRA_b [Mus musculus]" . . . . . 100.00 337 100.00 100.00 6.02e-33 . . . . 6059 1 8 no REF NP_061220 . "ras association domain-containing protein 5 [Mus musculus]" . . . . . 100.00 413 100.00 100.00 5.24e-33 . . . . 6059 1 9 no SP Q5EBH1 . "RecName: Full=Ras association domain-containing protein 5; AltName: Full=New ras effector 1; AltName: Full=Regulator for cell a" . . . . . 100.00 413 100.00 100.00 5.24e-33 . . . . 6059 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'putative Ras effector' common 6059 1 Nore1 abbreviation 6059 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 1 108 PRO . 6059 1 2 109 ARG . 6059 1 3 110 VAL . 6059 1 4 111 LEU . 6059 1 5 112 ALA . 6059 1 6 113 GLU . 6059 1 7 114 ARG . 6059 1 8 115 GLY . 6059 1 9 116 GLU . 6059 1 10 117 GLY . 6059 1 11 118 HIS . 6059 1 12 119 ARG . 6059 1 13 120 PHE . 6059 1 14 121 VAL . 6059 1 15 122 GLU . 6059 1 16 123 LEU . 6059 1 17 124 ALA . 6059 1 18 125 LEU . 6059 1 19 126 ARG . 6059 1 20 127 GLY . 6059 1 21 128 GLY . 6059 1 22 129 PRO . 6059 1 23 130 GLY . 6059 1 24 131 TRP . 6059 1 25 132 CYS . 6059 1 26 133 ASP . 6059 1 27 134 LEU . 6059 1 28 135 CYS . 6059 1 29 136 GLY . 6059 1 30 137 ARG . 6059 1 31 138 GLU . 6059 1 32 139 VAL . 6059 1 33 140 LEU . 6059 1 34 141 ARG . 6059 1 35 142 GLN . 6059 1 36 143 ALA . 6059 1 37 144 LEU . 6059 1 38 145 ARG . 6059 1 39 146 CYS . 6059 1 40 147 ALA . 6059 1 41 148 ASN . 6059 1 42 149 CYS . 6059 1 43 150 LYS . 6059 1 44 151 PHE . 6059 1 45 152 THR . 6059 1 46 153 CYS . 6059 1 47 154 HIS . 6059 1 48 155 SER . 6059 1 49 156 GLU . 6059 1 50 157 CYS . 6059 1 51 158 ARG . 6059 1 52 159 SER . 6059 1 53 160 LEU . 6059 1 54 161 ILE . 6059 1 55 162 GLN . 6059 1 56 163 LEU . 6059 1 57 164 ASP . 6059 1 58 165 CYS . 6059 1 59 166 ARG . 6059 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 . PRO 1 1 6059 1 . ARG 2 2 6059 1 . VAL 3 3 6059 1 . LEU 4 4 6059 1 . ALA 5 5 6059 1 . GLU 6 6 6059 1 . ARG 7 7 6059 1 . GLY 8 8 6059 1 . GLU 9 9 6059 1 . GLY 10 10 6059 1 . HIS 11 11 6059 1 . ARG 12 12 6059 1 . PHE 13 13 6059 1 . VAL 14 14 6059 1 . GLU 15 15 6059 1 . LEU 16 16 6059 1 . ALA 17 17 6059 1 . LEU 18 18 6059 1 . ARG 19 19 6059 1 . GLY 20 20 6059 1 . GLY 21 21 6059 1 . PRO 22 22 6059 1 . GLY 23 23 6059 1 . TRP 24 24 6059 1 . CYS 25 25 6059 1 . ASP 26 26 6059 1 . LEU 27 27 6059 1 . CYS 28 28 6059 1 . GLY 29 29 6059 1 . ARG 30 30 6059 1 . GLU 31 31 6059 1 . VAL 32 32 6059 1 . LEU 33 33 6059 1 . ARG 34 34 6059 1 . GLN 35 35 6059 1 . ALA 36 36 6059 1 . LEU 37 37 6059 1 . ARG 38 38 6059 1 . CYS 39 39 6059 1 . ALA 40 40 6059 1 . ASN 41 41 6059 1 . CYS 42 42 6059 1 . LYS 43 43 6059 1 . PHE 44 44 6059 1 . THR 45 45 6059 1 . CYS 46 46 6059 1 . HIS 47 47 6059 1 . SER 48 48 6059 1 . GLU 49 49 6059 1 . CYS 50 50 6059 1 . ARG 51 51 6059 1 . SER 52 52 6059 1 . LEU 53 53 6059 1 . ILE 54 54 6059 1 . GLN 55 55 6059 1 . LEU 56 56 6059 1 . ASP 57 57 6059 1 . CYS 58 58 6059 1 . ARG 59 59 6059 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 6059 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 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 no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _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 . _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 . ZN . 6059 2 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 6059 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Nore1 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 6059 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 6059 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Nore1 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6059 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 6059 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _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 . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _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 ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 16 16:02:10 2011 ; _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 [Zn+2] SMILES ACDLabs 10.04 6059 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 6059 ZN [Zn++] SMILES CACTVS 3.341 6059 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 6059 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 6059 ZN InChI=1S/Zn/q+2 InChI InChI 1.03 6059 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 6059 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 6059 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 6059 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 . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 6059 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6059 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'putative Ras effector' '[U-95% 13C; U-90% 15N]' . . 1 $Nore1 . . 2.0 . . mM . . . . 6059 1 2 'pottasium phosphate puffer' . . . . . . . 20.0 . . mM . . . . 6059 1 3 NaN3 . . . . . . . 0.5 . . mM . . . . 6059 1 4 DTE . . . . . . . 4 . . mM . . . . 6059 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 6059 _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 pH 6.9 0.2 pH 6059 1 temperature 300 1 K 6059 1 stop_ save_ ############################ # Computer software used # ############################ save_Aurelia _Software.Sf_category software _Software.Sf_framecode Aurelia _Software.Entry_ID 6059 _Software.ID 1 _Software.Name Aurelia _Software.Version 2.8.11 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Visualisation of NMR-Spectra' 6059 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 6059 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer INOVA _NMR_spectrometer.Model Varian _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6059 _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 NMR_spectrometer INOVA Varian . 600 . . . 6059 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 6059 _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 HNCACB . . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6059 1 2 '1H-15N NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6059 1 3 CCONH . . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6059 1 4 HCCONH . . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6059 1 5 '1H-N15 TOCSY' . . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6059 1 6 HCCH-COSY . . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6059 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 6059 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $Aurelia _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6059 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H-15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $Aurelia _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6059 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name CCONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $Aurelia _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6059 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HCCONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $Aurelia _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 6059 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '1H-N15 TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $Aurelia _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 6059 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HCCH-COSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $Aurelia _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6059 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6059 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 6059 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 6059 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_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode 1 _Assigned_chem_shift_list.Entry_ID 6059 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 6059 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 1 1 PRO CA C 13 63.495 . . . . . . . . . . . 6059 1 2 . 1 1 1 1 PRO CB C 13 31.9 . . . . . . . . . . . 6059 1 3 . 1 1 1 1 PRO HG2 H 1 2.04 . . . . . . . . . . . 6059 1 4 . 1 1 1 1 PRO HG3 H 1 2.04 . . . . . . . . . . . 6059 1 5 . 1 1 1 1 PRO HD2 H 1 3.9 . . . . . . . . . . . 6059 1 6 . 1 1 1 1 PRO HD3 H 1 3.9 . . . . . . . . . . . 6059 1 7 . 1 1 1 1 PRO HA H 1 4.43 . . . . . . . . . . . 6059 1 8 . 1 1 1 1 PRO HB2 H 1 2.32 . . . . . . . . . . . 6059 1 9 . 1 1 2 2 ARG H H 1 8.453 . . . . . . . . . . . 6059 1 10 . 1 1 2 2 ARG N N 15 120.518 . . . . . . . . . . . 6059 1 11 . 1 1 2 2 ARG CA C 13 56.806 . . . . . . . . . . . 6059 1 12 . 1 1 2 2 ARG CB C 13 29.973 . . . . . . . . . . . 6059 1 13 . 1 1 2 2 ARG HB3 H 1 1.84 . . . . . . . . . . . 6059 1 14 . 1 1 2 2 ARG HG2 H 1 1.649 . . . . . . . . . . . 6059 1 15 . 1 1 2 2 ARG HG3 H 1 1.649 . . . . . . . . . . . 6059 1 16 . 1 1 2 2 ARG HD2 H 1 3.214 . . . . . . . . . . . 6059 1 17 . 1 1 2 2 ARG HD3 H 1 3.214 . . . . . . . . . . . 6059 1 18 . 1 1 2 2 ARG HA H 1 4.2 . . . . . . . . . . . 6059 1 19 . 1 1 2 2 ARG HB2 H 1 1.794 . . . . . . . . . . . 6059 1 20 . 1 1 3 3 VAL H H 1 7.832 . . . . . . . . . . . 6059 1 21 . 1 1 3 3 VAL N N 15 120.235 . . . . . . . . . . . 6059 1 22 . 1 1 3 3 VAL CA C 13 62.66 . . . . . . . . . . . 6059 1 23 . 1 1 3 3 VAL CB C 13 32.028 . . . . . . . . . . . 6059 1 24 . 1 1 3 3 VAL HG11 H 1 0.948 . . . . . . . . . . . 6059 1 25 . 1 1 3 3 VAL HG12 H 1 0.948 . . . . . . . . . . . 6059 1 26 . 1 1 3 3 VAL HG13 H 1 0.948 . . . . . . . . . . . 6059 1 27 . 1 1 3 3 VAL HG21 H 1 0.92 . . . . . . . . . . . 6059 1 28 . 1 1 3 3 VAL HG22 H 1 0.92 . . . . . . . . . . . 6059 1 29 . 1 1 3 3 VAL HG23 H 1 0.92 . . . . . . . . . . . 6059 1 30 . 1 1 3 3 VAL HA H 1 4.036 . . . . . . . . . . . 6059 1 31 . 1 1 3 3 VAL HB H 1 2.175 . . . . . . . . . . . 6059 1 32 . 1 1 4 4 LEU H H 1 8.004 . . . . . . . . . . . 6059 1 33 . 1 1 4 4 LEU N N 15 125.183 . . . . . . . . . . . 6059 1 34 . 1 1 4 4 LEU CA C 13 55.031 . . . . . . . . . . . 6059 1 35 . 1 1 4 4 LEU CB C 13 42.031 . . . . . . . . . . . 6059 1 36 . 1 1 4 4 LEU HD11 H 1 0.889 . . . . . . . . . . . 6059 1 37 . 1 1 4 4 LEU HD12 H 1 0.889 . . . . . . . . . . . 6059 1 38 . 1 1 4 4 LEU HD13 H 1 0.889 . . . . . . . . . . . 6059 1 39 . 1 1 4 4 LEU HD21 H 1 0.889 . . . . . . . . . . . 6059 1 40 . 1 1 4 4 LEU HD22 H 1 0.889 . . . . . . . . . . . 6059 1 41 . 1 1 4 4 LEU HD23 H 1 0.889 . . . . . . . . . . . 6059 1 42 . 1 1 4 4 LEU HG H 1 1.595 . . . . . . . . . . . 6059 1 43 . 1 1 4 4 LEU HA H 1 4.294 . . . . . . . . . . . 6059 1 44 . 1 1 4 4 LEU HB2 H 1 1.677 . . . . . . . . . . . 6059 1 45 . 1 1 5 5 ALA H H 1 8.036 . . . . . . . . . . . 6059 1 46 . 1 1 5 5 ALA N N 15 124.759 . . . . . . . . . . . 6059 1 47 . 1 1 5 5 ALA CA C 13 52.106 . . . . . . . . . . . 6059 1 48 . 1 1 5 5 ALA CB C 13 18.918 . . . . . . . . . . . 6059 1 49 . 1 1 5 5 ALA HA H 1 4.317 . . . . . . . . . . . 6059 1 50 . 1 1 5 5 ALA HB1 H 1 1.43 . . . . . . . . . . . 6059 1 51 . 1 1 5 5 ALA HB2 H 1 1.43 . . . . . . . . . . . 6059 1 52 . 1 1 5 5 ALA HB3 H 1 1.43 . . . . . . . . . . . 6059 1 53 . 1 1 6 6 GLU H H 1 8.286 . . . . . . . . . . . 6059 1 54 . 1 1 6 6 GLU N N 15 120.659 . . . . . . . . . . . 6059 1 55 . 1 1 6 6 GLU CA C 13 56.077 . . . . . . . . . . . 6059 1 56 . 1 1 6 6 GLU CB C 13 29.698 . . . . . . . . . . . 6059 1 57 . 1 1 6 6 GLU HG2 H 1 2.303 . . . . . . . . . . . 6059 1 58 . 1 1 6 6 GLU HG3 H 1 2.303 . . . . . . . . . . . 6059 1 59 . 1 1 6 6 GLU HA H 1 4.344 . . . . . . . . . . . 6059 1 60 . 1 1 6 6 GLU HB2 H 1 2.016 . . . . . . . . . . . 6059 1 61 . 1 1 7 7 ARG H H 1 8.303 . . . . . . . . . . . 6059 1 62 . 1 1 7 7 ARG N N 15 121.084 . . . . . . . . . . . 6059 1 63 . 1 1 7 7 ARG CA C 13 55.808 . . . . . . . . . . . 6059 1 64 . 1 1 7 7 ARG CB C 13 30.805 . . . . . . . . . . . 6059 1 65 . 1 1 7 7 ARG HG2 H 1 1.72 . . . . . . . . . . . 6059 1 66 . 1 1 7 7 ARG HG3 H 1 1.72 . . . . . . . . . . . 6059 1 67 . 1 1 7 7 ARG HD2 H 1 3.2 . . . . . . . . . . . 6059 1 68 . 1 1 7 7 ARG HD3 H 1 3.2 . . . . . . . . . . . 6059 1 69 . 1 1 7 7 ARG HA H 1 4.408 . . . . . . . . . . . 6059 1 70 . 1 1 7 7 ARG HB2 H 1 1.9 . . . . . . . . . . . 6059 1 71 . 1 1 8 8 GLY H H 1 8.194 . . . . . . . . . . . 6059 1 72 . 1 1 8 8 GLY N N 15 110.315 . . . . . . . . . . . 6059 1 73 . 1 1 8 8 GLY CA C 13 45.182 . . . . . . . . . . . 6059 1 74 . 1 1 8 8 GLY HA2 H 1 3.91 . . . . . . . . . . . 6059 1 75 . 1 1 9 9 GLU H H 1 8.677 . . . . . . . . . . . 6059 1 76 . 1 1 9 9 GLU N N 15 122.639 . . . . . . . . . . . 6059 1 77 . 1 1 9 9 GLU CA C 13 56.12 . . . . . . . . . . . 6059 1 78 . 1 1 9 9 GLU CB C 13 31.118 . . . . . . . . . . . 6059 1 79 . 1 1 9 9 GLU HG2 H 1 2.271 . . . . . . . . . . . 6059 1 80 . 1 1 9 9 GLU HG3 H 1 2.271 . . . . . . . . . . . 6059 1 81 . 1 1 9 9 GLU HA H 1 4.402 . . . . . . . . . . . 6059 1 82 . 1 1 9 9 GLU HB2 H 1 1.912 . . . . . . . . . . . 6059 1 83 . 1 1 10 10 GLY H H 1 8.377 . . . . . . . . . . . 6059 1 84 . 1 1 10 10 GLY N N 15 109.184 . . . . . . . . . . . 6059 1 85 . 1 1 10 10 GLY CA C 13 44.869 . . . . . . . . . . . 6059 1 86 . 1 1 10 10 GLY HA3 H 1 3.74 . . . . . . . . . . . 6059 1 87 . 1 1 10 10 GLY HA2 H 1 4.06 . . . . . . . . . . . 6059 1 88 . 1 1 11 11 HIS H H 1 8.061 . . . . . . . . . . . 6059 1 89 . 1 1 11 11 HIS N N 15 119.08 . . . . . . . . . . . 6059 1 90 . 1 1 11 11 HIS CA C 13 55.808 . . . . . . . . . . . 6059 1 91 . 1 1 11 11 HIS CB C 13 31.431 . . . . . . . . . . . 6059 1 92 . 1 1 11 11 HIS HB3 H 1 2.55 . . . . . . . . . . . 6059 1 93 . 1 1 11 11 HIS HA H 1 4.955 . . . . . . . . . . . 6059 1 94 . 1 1 11 11 HIS HB2 H 1 2.8 . . . . . . . . . . . 6059 1 95 . 1 1 12 12 ARG H H 1 8.904 . . . . . . . . . . . 6059 1 96 . 1 1 12 12 ARG N N 15 127.728 . . . . . . . . . . . 6059 1 97 . 1 1 12 12 ARG CA C 13 54.245 . . . . . . . . . . . 6059 1 98 . 1 1 12 12 ARG CB C 13 31.431 . . . . . . . . . . . 6059 1 99 . 1 1 12 12 ARG HG2 H 1 1.53 . . . . . . . . . . . 6059 1 100 . 1 1 12 12 ARG HG3 H 1 1.63 . . . . . . . . . . . 6059 1 101 . 1 1 12 12 ARG HD2 H 1 3.23 . . . . . . . . . . . 6059 1 102 . 1 1 12 12 ARG HD3 H 1 3.23 . . . . . . . . . . . 6059 1 103 . 1 1 12 12 ARG HA H 1 4.657 . . . . . . . . . . . 6059 1 104 . 1 1 12 12 ARG HB2 H 1 1.83 . . . . . . . . . . . 6059 1 105 . 1 1 13 13 PHE H H 1 8.893 . . . . . . . . . . . 6059 1 106 . 1 1 13 13 PHE N N 15 123.77 . . . . . . . . . . . 6059 1 107 . 1 1 13 13 PHE CA C 13 61.111 . . . . . . . . . . . 6059 1 108 . 1 1 13 13 PHE CB C 13 39.857 . . . . . . . . . . . 6059 1 109 . 1 1 13 13 PHE HA H 1 4.484 . . . . . . . . . . . 6059 1 110 . 1 1 13 13 PHE HB2 H 1 2.852 . . . . . . . . . . . 6059 1 111 . 1 1 14 14 VAL H H 1 8.702 . . . . . . . . . . . 6059 1 112 . 1 1 14 14 VAL N N 15 121.649 . . . . . . . . . . . 6059 1 113 . 1 1 14 14 VAL CA C 13 59.481 . . . . . . . . . . . 6059 1 114 . 1 1 14 14 VAL CB C 13 35.064 . . . . . . . . . . . 6059 1 115 . 1 1 14 14 VAL HG11 H 1 1.069 . . . . . . . . . . . 6059 1 116 . 1 1 14 14 VAL HG12 H 1 1.069 . . . . . . . . . . . 6059 1 117 . 1 1 14 14 VAL HG13 H 1 1.069 . . . . . . . . . . . 6059 1 118 . 1 1 14 14 VAL HG21 H 1 0.986 . . . . . . . . . . . 6059 1 119 . 1 1 14 14 VAL HG22 H 1 0.986 . . . . . . . . . . . 6059 1 120 . 1 1 14 14 VAL HG23 H 1 0.986 . . . . . . . . . . . 6059 1 121 . 1 1 14 14 VAL HA H 1 4.566 . . . . . . . . . . . 6059 1 122 . 1 1 14 14 VAL HB H 1 2.276 . . . . . . . . . . . 6059 1 123 . 1 1 15 15 GLU H H 1 8.667 . . . . . . . . . . . 6059 1 124 . 1 1 15 15 GLU N N 15 124.052 . . . . . . . . . . . 6059 1 125 . 1 1 15 15 GLU CA C 13 57.832 . . . . . . . . . . . 6059 1 126 . 1 1 15 15 GLU CB C 13 29.756 . . . . . . . . . . . 6059 1 127 . 1 1 15 15 GLU HG2 H 1 2.247 . . . . . . . . . . . 6059 1 128 . 1 1 15 15 GLU HG3 H 1 2.247 . . . . . . . . . . . 6059 1 129 . 1 1 15 15 GLU HA H 1 4.432 . . . . . . . . . . . 6059 1 130 . 1 1 15 15 GLU HB2 H 1 1.969 . . . . . . . . . . . 6059 1 131 . 1 1 16 16 LEU H H 1 8.488 . . . . . . . . . . . 6059 1 132 . 1 1 16 16 LEU N N 15 128.293 . . . . . . . . . . . 6059 1 133 . 1 1 16 16 LEU CA C 13 53.199 . . . . . . . . . . . 6059 1 134 . 1 1 16 16 LEU CB C 13 44.147 . . . . . . . . . . . 6059 1 135 . 1 1 16 16 LEU HD11 H 1 0.817 . . . . . . . . . . . 6059 1 136 . 1 1 16 16 LEU HD12 H 1 0.817 . . . . . . . . . . . 6059 1 137 . 1 1 16 16 LEU HD13 H 1 0.817 . . . . . . . . . . . 6059 1 138 . 1 1 16 16 LEU HD21 H 1 0.817 . . . . . . . . . . . 6059 1 139 . 1 1 16 16 LEU HD22 H 1 0.817 . . . . . . . . . . . 6059 1 140 . 1 1 16 16 LEU HD23 H 1 0.817 . . . . . . . . . . . 6059 1 141 . 1 1 16 16 LEU HG H 1 1.27 . . . . . . . . . . . 6059 1 142 . 1 1 16 16 LEU HA H 1 4.593 . . . . . . . . . . . 6059 1 143 . 1 1 16 16 LEU HB2 H 1 1.53 . . . . . . . . . . . 6059 1 144 . 1 1 17 17 ALA H H 1 8.526 . . . . . . . . . . . 6059 1 145 . 1 1 17 17 ALA N N 15 130.131 . . . . . . . . . . . 6059 1 146 . 1 1 17 17 ALA CA C 13 51.442 . . . . . . . . . . . 6059 1 147 . 1 1 17 17 ALA CB C 13 18.344 . . . . . . . . . . . 6059 1 148 . 1 1 17 17 ALA HA H 1 4.462 . . . . . . . . . . . 6059 1 149 . 1 1 17 17 ALA HB1 H 1 1.367 . . . . . . . . . . . 6059 1 150 . 1 1 17 17 ALA HB2 H 1 1.367 . . . . . . . . . . . 6059 1 151 . 1 1 17 17 ALA HB3 H 1 1.367 . . . . . . . . . . . 6059 1 152 . 1 1 18 18 LEU H H 1 8.223 . . . . . . . . . . . 6059 1 153 . 1 1 18 18 LEU N N 15 125.89 . . . . . . . . . . . 6059 1 154 . 1 1 18 18 LEU CA C 13 54.212 . . . . . . . . . . . 6059 1 155 . 1 1 18 18 LEU CB C 13 40.344 . . . . . . . . . . . 6059 1 156 . 1 1 18 18 LEU HD11 H 1 0.695 . . . . . . . . . . . 6059 1 157 . 1 1 18 18 LEU HD12 H 1 0.695 . . . . . . . . . . . 6059 1 158 . 1 1 18 18 LEU HD13 H 1 0.695 . . . . . . . . . . . 6059 1 159 . 1 1 18 18 LEU HD21 H 1 0.695 . . . . . . . . . . . 6059 1 160 . 1 1 18 18 LEU HD22 H 1 0.695 . . . . . . . . . . . 6059 1 161 . 1 1 18 18 LEU HD23 H 1 0.695 . . . . . . . . . . . 6059 1 162 . 1 1 18 18 LEU HG H 1 1.494 . . . . . . . . . . . 6059 1 163 . 1 1 18 18 LEU HA H 1 4.364 . . . . . . . . . . . 6059 1 164 . 1 1 18 18 LEU HB2 H 1 1.583 . . . . . . . . . . . 6059 1 165 . 1 1 19 19 ARG H H 1 8.293 . . . . . . . . . . . 6059 1 166 . 1 1 19 19 ARG N N 15 122.144 . . . . . . . . . . . 6059 1 167 . 1 1 20 20 GLY CA C 13 45.518 . . . . . . . . . . . 6059 1 168 . 1 1 20 20 GLY HA2 H 1 4.036 . . . . . . . . . . . 6059 1 169 . 1 1 21 21 GLY H H 1 7.589 . . . . . . . . . . . 6059 1 170 . 1 1 21 21 GLY N N 15 110.066 . . . . . . . . . . . 6059 1 171 . 1 1 21 21 GLY CA C 13 43.88 . . . . . . . . . . . 6059 1 172 . 1 1 21 21 GLY HA3 H 1 3.99 . . . . . . . . . . . 6059 1 173 . 1 1 21 21 GLY HA2 H 1 4.28 . . . . . . . . . . . 6059 1 174 . 1 1 22 22 PRO CA C 13 62.677 . . . . . . . . . . . 6059 1 175 . 1 1 22 22 PRO CB C 13 32.86 . . . . . . . . . . . 6059 1 176 . 1 1 22 22 PRO HB3 H 1 2.05 . . . . . . . . . . . 6059 1 177 . 1 1 22 22 PRO HA H 1 4.57 . . . . . . . . . . . 6059 1 178 . 1 1 22 22 PRO HB2 H 1 2.26 . . . . . . . . . . . 6059 1 179 . 1 1 23 23 GLY H H 1 8.303 . . . . . . . . . . . 6059 1 180 . 1 1 23 23 GLY N N 15 108.634 . . . . . . . . . . . 6059 1 181 . 1 1 23 23 GLY CA C 13 43.307 . . . . . . . . . . . 6059 1 182 . 1 1 23 23 GLY HA3 H 1 3.187 . . . . . . . . . . . 6059 1 183 . 1 1 23 23 GLY HA2 H 1 4.41 . . . . . . . . . . . 6059 1 184 . 1 1 24 24 TRP H H 1 8.338 . . . . . . . . . . . 6059 1 185 . 1 1 24 24 TRP N N 15 122.215 . . . . . . . . . . . 6059 1 186 . 1 1 24 24 TRP CA C 13 56.409 . . . . . . . . . . . 6059 1 187 . 1 1 24 24 TRP CB C 13 31.743 . . . . . . . . . . . 6059 1 188 . 1 1 24 24 TRP HA H 1 4.749 . . . . . . . . . . . 6059 1 189 . 1 1 24 24 TRP HB2 H 1 2.893 . . . . . . . . . . . 6059 1 190 . 1 1 25 25 CYS H H 1 7.867 . . . . . . . . . . . 6059 1 191 . 1 1 25 25 CYS N N 15 126.032 . . . . . . . . . . . 6059 1 192 . 1 1 25 25 CYS CA C 13 57.903 . . . . . . . . . . . 6059 1 193 . 1 1 25 25 CYS CB C 13 31.118 . . . . . . . . . . . 6059 1 194 . 1 1 25 25 CYS HB3 H 1 3.4 . . . . . . . . . . . 6059 1 195 . 1 1 25 25 CYS HA H 1 4.075 . . . . . . . . . . . 6059 1 196 . 1 1 25 25 CYS HB2 H 1 2.02 . . . . . . . . . . . 6059 1 197 . 1 1 26 26 ASP H H 1 9.258 . . . . . . . . . . . 6059 1 198 . 1 1 26 26 ASP N N 15 130.273 . . . . . . . . . . . 6059 1 199 . 1 1 26 26 ASP CA C 13 56.409 . . . . . . . . . . . 6059 1 200 . 1 1 26 26 ASP CB C 13 40.267 . . . . . . . . . . . 6059 1 201 . 1 1 26 26 ASP HB3 H 1 1.9 . . . . . . . . . . . 6059 1 202 . 1 1 26 26 ASP HA H 1 4.42 . . . . . . . . . . . 6059 1 203 . 1 1 26 26 ASP HB2 H 1 1.206 . . . . . . . . . . . 6059 1 204 . 1 1 27 27 LEU H H 1 8.862 . . . . . . . . . . . 6059 1 205 . 1 1 27 27 LEU N N 15 123.487 . . . . . . . . . . . 6059 1 206 . 1 1 27 27 LEU CA C 13 55.495 . . . . . . . . . . . 6059 1 207 . 1 1 27 27 LEU CB C 13 42.682 . . . . . . . . . . . 6059 1 208 . 1 1 27 27 LEU HB3 H 1 2.0 . . . . . . . . . . . 6059 1 209 . 1 1 27 27 LEU HD11 H 1 1.09 . . . . . . . . . . . 6059 1 210 . 1 1 27 27 LEU HD12 H 1 1.09 . . . . . . . . . . . 6059 1 211 . 1 1 27 27 LEU HD13 H 1 1.09 . . . . . . . . . . . 6059 1 212 . 1 1 27 27 LEU HD21 H 1 1.09 . . . . . . . . . . . 6059 1 213 . 1 1 27 27 LEU HD22 H 1 1.09 . . . . . . . . . . . 6059 1 214 . 1 1 27 27 LEU HD23 H 1 1.09 . . . . . . . . . . . 6059 1 215 . 1 1 27 27 LEU HG H 1 1.71 . . . . . . . . . . . 6059 1 216 . 1 1 27 27 LEU HA H 1 4.875 . . . . . . . . . . . 6059 1 217 . 1 1 27 27 LEU HB2 H 1 2.33 . . . . . . . . . . . 6059 1 218 . 1 1 28 28 CYS H H 1 8.68 . . . . . . . . . . . 6059 1 219 . 1 1 28 28 CYS N N 15 118.68 . . . . . . . . . . . 6059 1 220 . 1 1 28 28 CYS CA C 13 58.933 . . . . . . . . . . . 6059 1 221 . 1 1 28 28 CYS CB C 13 31.118 . . . . . . . . . . . 6059 1 222 . 1 1 28 28 CYS HB3 H 1 3.08 . . . . . . . . . . . 6059 1 223 . 1 1 28 28 CYS HA H 1 4.863 . . . . . . . . . . . 6059 1 224 . 1 1 28 28 CYS HB2 H 1 3.32 . . . . . . . . . . . 6059 1 225 . 1 1 29 29 GLY H H 1 7.93 . . . . . . . . . . . 6059 1 226 . 1 1 29 29 GLY N N 15 113.45 . . . . . . . . . . . 6059 1 227 . 1 1 29 29 GLY CA C 13 46.432 . . . . . . . . . . . 6059 1 228 . 1 1 29 29 GLY HA2 H 1 4.017 . . . . . . . . . . . 6059 1 229 . 1 1 30 30 ARG H H 1 7.798 . . . . . . . . . . . 6059 1 230 . 1 1 30 30 ARG N N 15 119.116 . . . . . . . . . . . 6059 1 231 . 1 1 30 30 ARG CA C 13 54.558 . . . . . . . . . . . 6059 1 232 . 1 1 30 30 ARG CB C 13 32.993 . . . . . . . . . . . 6059 1 233 . 1 1 30 30 ARG HB3 H 1 1.98 . . . . . . . . . . . 6059 1 234 . 1 1 30 30 ARG HG2 H 1 1.75 . . . . . . . . . . . 6059 1 235 . 1 1 30 30 ARG HG3 H 1 1.75 . . . . . . . . . . . 6059 1 236 . 1 1 30 30 ARG HD2 H 1 3.26 . . . . . . . . . . . 6059 1 237 . 1 1 30 30 ARG HD3 H 1 3.26 . . . . . . . . . . . 6059 1 238 . 1 1 30 30 ARG HA H 1 4.635 . . . . . . . . . . . 6059 1 239 . 1 1 30 30 ARG HB2 H 1 2.05 . . . . . . . . . . . 6059 1 240 . 1 1 31 31 GLU H H 1 8.609 . . . . . . . . . . . 6059 1 241 . 1 1 31 31 GLU N N 15 120.964 . . . . . . . . . . . 6059 1 242 . 1 1 31 31 GLU CA C 13 56.433 . . . . . . . . . . . 6059 1 243 . 1 1 31 31 GLU CB C 13 30.18 . . . . . . . . . . . 6059 1 244 . 1 1 31 31 GLU HB3 H 1 1.92 . . . . . . . . . . . 6059 1 245 . 1 1 31 31 GLU HG2 H 1 2.29 . . . . . . . . . . . 6059 1 246 . 1 1 31 31 GLU HG3 H 1 2.29 . . . . . . . . . . . 6059 1 247 . 1 1 31 31 GLU HA H 1 3.92 . . . . . . . . . . . 6059 1 248 . 1 1 31 31 GLU HB2 H 1 1.65 . . . . . . . . . . . 6059 1 249 . 1 1 32 32 VAL H H 1 8.013 . . . . . . . . . . . 6059 1 250 . 1 1 32 32 VAL N N 15 124.759 . . . . . . . . . . . 6059 1 251 . 1 1 32 32 VAL CA C 13 60.183 . . . . . . . . . . . 6059 1 252 . 1 1 32 32 VAL CB C 13 32.64 . . . . . . . . . . . 6059 1 253 . 1 1 32 32 VAL HG11 H 1 0.05 . . . . . . . . . . . 6059 1 254 . 1 1 32 32 VAL HG12 H 1 0.05 . . . . . . . . . . . 6059 1 255 . 1 1 32 32 VAL HG13 H 1 0.05 . . . . . . . . . . . 6059 1 256 . 1 1 32 32 VAL HG21 H 1 0.58 . . . . . . . . . . . 6059 1 257 . 1 1 32 32 VAL HG22 H 1 0.58 . . . . . . . . . . . 6059 1 258 . 1 1 32 32 VAL HG23 H 1 0.58 . . . . . . . . . . . 6059 1 259 . 1 1 32 32 VAL HA H 1 4.063 . . . . . . . . . . . 6059 1 260 . 1 1 32 32 VAL HB H 1 1.12 . . . . . . . . . . . 6059 1 261 . 1 1 33 33 LEU H H 1 8.899 . . . . . . . . . . . 6059 1 262 . 1 1 33 33 LEU N N 15 126.456 . . . . . . . . . . . 6059 1 263 . 1 1 33 33 LEU CA C 13 54.558 . . . . . . . . . . . 6059 1 264 . 1 1 33 33 LEU CB C 13 43.309 . . . . . . . . . . . 6059 1 265 . 1 1 33 33 LEU HD11 H 1 0.87 . . . . . . . . . . . 6059 1 266 . 1 1 33 33 LEU HD12 H 1 0.87 . . . . . . . . . . . 6059 1 267 . 1 1 33 33 LEU HD13 H 1 0.87 . . . . . . . . . . . 6059 1 268 . 1 1 33 33 LEU HD21 H 1 0.77 . . . . . . . . . . . 6059 1 269 . 1 1 33 33 LEU HD22 H 1 0.77 . . . . . . . . . . . 6059 1 270 . 1 1 33 33 LEU HD23 H 1 0.77 . . . . . . . . . . . 6059 1 271 . 1 1 33 33 LEU HG H 1 1.51 . . . . . . . . . . . 6059 1 272 . 1 1 33 33 LEU HA H 1 4.524 . . . . . . . . . . . 6059 1 273 . 1 1 34 34 ARG H H 1 8.206 . . . . . . . . . . . 6059 1 274 . 1 1 34 34 ARG N N 15 116.136 . . . . . . . . . . . 6059 1 275 . 1 1 34 34 ARG CA C 13 57.371 . . . . . . . . . . . 6059 1 276 . 1 1 34 34 ARG CB C 13 30.493 . . . . . . . . . . . 6059 1 277 . 1 1 34 34 ARG HG2 H 1 1.547 . . . . . . . . . . . 6059 1 278 . 1 1 34 34 ARG HG3 H 1 1.547 . . . . . . . . . . . 6059 1 279 . 1 1 34 34 ARG HD2 H 1 3.26 . . . . . . . . . . . 6059 1 280 . 1 1 34 34 ARG HD3 H 1 3.26 . . . . . . . . . . . 6059 1 281 . 1 1 34 34 ARG HA H 1 4.296 . . . . . . . . . . . 6059 1 282 . 1 1 34 34 ARG HB2 H 1 2 . . . . . . . . . . . 6059 1 283 . 1 1 35 35 GLN H H 1 9.027 . . . . . . . . . . . 6059 1 284 . 1 1 35 35 GLN N N 15 120.801 . . . . . . . . . . . 6059 1 285 . 1 1 35 35 GLN CA C 13 55.808 . . . . . . . . . . . 6059 1 286 . 1 1 35 35 GLN CB C 13 28.93 . . . . . . . . . . . 6059 1 287 . 1 1 35 35 GLN HG2 H 1 2.307 . . . . . . . . . . . 6059 1 288 . 1 1 35 35 GLN HG3 H 1 2.307 . . . . . . . . . . . 6059 1 289 . 1 1 35 35 GLN HA H 1 4.418 . . . . . . . . . . . 6059 1 290 . 1 1 35 35 GLN HB2 H 1 2.076 . . . . . . . . . . . 6059 1 291 . 1 1 36 36 ALA H H 1 8.632 . . . . . . . . . . . 6059 1 292 . 1 1 36 36 ALA N N 15 123.911 . . . . . . . . . . . 6059 1 293 . 1 1 36 36 ALA CA C 13 50.482 . . . . . . . . . . . 6059 1 294 . 1 1 36 36 ALA CB C 13 21.871 . . . . . . . . . . . 6059 1 295 . 1 1 36 36 ALA HA H 1 4.647 . . . . . . . . . . . 6059 1 296 . 1 1 36 36 ALA HB1 H 1 1.235 . . . . . . . . . . . 6059 1 297 . 1 1 36 36 ALA HB2 H 1 1.235 . . . . . . . . . . . 6059 1 298 . 1 1 36 36 ALA HB3 H 1 1.235 . . . . . . . . . . . 6059 1 299 . 1 1 37 37 LEU H H 1 8.716 . . . . . . . . . . . 6059 1 300 . 1 1 37 37 LEU N N 15 120.518 . . . . . . . . . . . 6059 1 301 . 1 1 37 37 LEU CA C 13 52.981 . . . . . . . . . . . 6059 1 302 . 1 1 37 37 LEU CB C 13 45.405 . . . . . . . . . . . 6059 1 303 . 1 1 37 37 LEU HB3 H 1 1.185 . . . . . . . . . . . 6059 1 304 . 1 1 37 37 LEU HD11 H 1 0.675 . . . . . . . . . . . 6059 1 305 . 1 1 37 37 LEU HD12 H 1 0.675 . . . . . . . . . . . 6059 1 306 . 1 1 37 37 LEU HD13 H 1 0.675 . . . . . . . . . . . 6059 1 307 . 1 1 37 37 LEU HD21 H 1 0.743 . . . . . . . . . . . 6059 1 308 . 1 1 37 37 LEU HD22 H 1 0.743 . . . . . . . . . . . 6059 1 309 . 1 1 37 37 LEU HD23 H 1 0.743 . . . . . . . . . . . 6059 1 310 . 1 1 37 37 LEU HG H 1 1.514 . . . . . . . . . . . 6059 1 311 . 1 1 37 37 LEU HA H 1 5.26 . . . . . . . . . . . 6059 1 312 . 1 1 37 37 LEU HB2 H 1 1.85 . . . . . . . . . . . 6059 1 313 . 1 1 38 38 ARG H H 1 9.189 . . . . . . . . . . . 6059 1 314 . 1 1 38 38 ARG N N 15 120.135 . . . . . . . . . . . 6059 1 315 . 1 1 38 38 ARG CA C 13 53.778 . . . . . . . . . . . 6059 1 316 . 1 1 38 38 ARG CB C 13 34.556 . . . . . . . . . . . 6059 1 317 . 1 1 38 38 ARG HB3 H 1 1.73 . . . . . . . . . . . 6059 1 318 . 1 1 38 38 ARG HG2 H 1 1.412 . . . . . . . . . . . 6059 1 319 . 1 1 38 38 ARG HG3 H 1 1.412 . . . . . . . . . . . 6059 1 320 . 1 1 38 38 ARG HD2 H 1 3.06 . . . . . . . . . . . 6059 1 321 . 1 1 38 38 ARG HD3 H 1 2.99 . . . . . . . . . . . 6059 1 322 . 1 1 38 38 ARG HA H 1 5.829 . . . . . . . . . . . 6059 1 323 . 1 1 38 38 ARG HB2 H 1 1.67 . . . . . . . . . . . 6059 1 324 . 1 1 39 39 CYS H H 1 9.44 . . . . . . . . . . . 6059 1 325 . 1 1 39 39 CYS N N 15 132.676 . . . . . . . . . . . 6059 1 326 . 1 1 39 39 CYS CA C 13 58.51 . . . . . . . . . . . 6059 1 327 . 1 1 39 39 CYS CB C 13 29.03 . . . . . . . . . . . 6059 1 328 . 1 1 39 39 CYS HB3 H 1 1.98 . . . . . . . . . . . 6059 1 329 . 1 1 39 39 CYS HA H 1 4.172 . . . . . . . . . . . 6059 1 330 . 1 1 39 39 CYS HB2 H 1 3.116 . . . . . . . . . . . 6059 1 331 . 1 1 40 40 ALA H H 1 9.119 . . . . . . . . . . . 6059 1 332 . 1 1 40 40 ALA N N 15 134.633 . . . . . . . . . . . 6059 1 333 . 1 1 40 40 ALA CA C 13 53.927 . . . . . . . . . . . 6059 1 334 . 1 1 40 40 ALA CB C 13 18.87 . . . . . . . . . . . 6059 1 335 . 1 1 40 40 ALA HA H 1 4.203 . . . . . . . . . . . 6059 1 336 . 1 1 40 40 ALA HB1 H 1 1.502 . . . . . . . . . . . 6059 1 337 . 1 1 40 40 ALA HB2 H 1 1.502 . . . . . . . . . . . 6059 1 338 . 1 1 40 40 ALA HB3 H 1 1.502 . . . . . . . . . . . 6059 1 339 . 1 1 41 41 ASN H H 1 8.983 . . . . . . . . . . . 6059 1 340 . 1 1 41 41 ASN N N 15 117.691 . . . . . . . . . . . 6059 1 341 . 1 1 41 41 ASN CA C 13 54.458 . . . . . . . . . . . 6059 1 342 . 1 1 41 41 ASN CB C 13 39.678 . . . . . . . . . . . 6059 1 343 . 1 1 41 41 ASN HA H 1 4.759 . . . . . . . . . . . 6059 1 344 . 1 1 41 41 ASN HB2 H 1 2.811 . . . . . . . . . . . 6059 1 345 . 1 1 42 42 CYS H H 1 8.152 . . . . . . . . . . . 6059 1 346 . 1 1 42 42 CYS N N 15 119.104 . . . . . . . . . . . 6059 1 347 . 1 1 42 42 CYS CA C 13 58.969 . . . . . . . . . . . 6059 1 348 . 1 1 42 42 CYS CB C 13 32.368 . . . . . . . . . . . 6059 1 349 . 1 1 42 42 CYS HB3 H 1 3.5 . . . . . . . . . . . 6059 1 350 . 1 1 42 42 CYS HA H 1 5.044 . . . . . . . . . . . 6059 1 351 . 1 1 42 42 CYS HB2 H 1 3.1 . . . . . . . . . . . 6059 1 352 . 1 1 43 43 LYS H H 1 7.762 . . . . . . . . . . . 6059 1 353 . 1 1 43 43 LYS N N 15 117.384 . . . . . . . . . . . 6059 1 354 . 1 1 43 43 LYS CA C 13 58.364 . . . . . . . . . . . 6059 1 355 . 1 1 43 43 LYS CB C 13 29.071 . . . . . . . . . . . 6059 1 356 . 1 1 43 43 LYS HG2 H 1 1.3 . . . . . . . . . . . 6059 1 357 . 1 1 43 43 LYS HG3 H 1 1.2 . . . . . . . . . . . 6059 1 358 . 1 1 43 43 LYS HD2 H 1 1.63 . . . . . . . . . . . 6059 1 359 . 1 1 43 43 LYS HD3 H 1 1.55 . . . . . . . . . . . 6059 1 360 . 1 1 43 43 LYS HE2 H 1 2.95 . . . . . . . . . . . 6059 1 361 . 1 1 43 43 LYS HE3 H 1 2.95 . . . . . . . . . . . 6059 1 362 . 1 1 43 43 LYS HA H 1 4.06 . . . . . . . . . . . 6059 1 363 . 1 1 43 43 LYS HB2 H 1 2.32 . . . . . . . . . . . 6059 1 364 . 1 1 44 44 PHE H H 1 8.516 . . . . . . . . . . . 6059 1 365 . 1 1 44 44 PHE N N 15 125.89 . . . . . . . . . . . 6059 1 366 . 1 1 44 44 PHE CA C 13 60.164 . . . . . . . . . . . 6059 1 367 . 1 1 44 44 PHE CB C 13 40.036 . . . . . . . . . . . 6059 1 368 . 1 1 44 44 PHE HB3 H 1 3.69 . . . . . . . . . . . 6059 1 369 . 1 1 44 44 PHE HA H 1 4.34 . . . . . . . . . . . 6059 1 370 . 1 1 44 44 PHE HB2 H 1 2.764 . . . . . . . . . . . 6059 1 371 . 1 1 45 45 THR H H 1 9.529 . . . . . . . . . . . 6059 1 372 . 1 1 45 45 THR N N 15 129.698 . . . . . . . . . . . 6059 1 373 . 1 1 45 45 THR CA C 13 62.128 . . . . . . . . . . . 6059 1 374 . 1 1 45 45 THR CB C 13 70.801 . . . . . . . . . . . 6059 1 375 . 1 1 45 45 THR HG21 H 1 1.13 . . . . . . . . . . . 6059 1 376 . 1 1 45 45 THR HG22 H 1 1.13 . . . . . . . . . . . 6059 1 377 . 1 1 45 45 THR HG23 H 1 1.13 . . . . . . . . . . . 6059 1 378 . 1 1 45 45 THR HA H 1 5.569 . . . . . . . . . . . 6059 1 379 . 1 1 45 45 THR HB H 1 4.22 . . . . . . . . . . . 6059 1 380 . 1 1 46 46 CYS H H 1 9.686 . . . . . . . . . . . 6059 1 381 . 1 1 46 46 CYS N N 15 120.072 . . . . . . . . . . . 6059 1 382 . 1 1 46 46 CYS CA C 13 54.273 . . . . . . . . . . . 6059 1 383 . 1 1 46 46 CYS CB C 13 33.163 . . . . . . . . . . . 6059 1 384 . 1 1 46 46 CYS HB3 H 1 3.22 . . . . . . . . . . . 6059 1 385 . 1 1 46 46 CYS HA H 1 6.376 . . . . . . . . . . . 6059 1 386 . 1 1 46 46 CYS HB2 H 1 2.837 . . . . . . . . . . . 6059 1 387 . 1 1 47 47 HIS H H 1 8.101 . . . . . . . . . . . 6059 1 388 . 1 1 47 47 HIS N N 15 117.549 . . . . . . . . . . . 6059 1 389 . 1 1 47 47 HIS CA C 13 58.869 . . . . . . . . . . . 6059 1 390 . 1 1 47 47 HIS CB C 13 30.678 . . . . . . . . . . . 6059 1 391 . 1 1 47 47 HIS HB3 H 1 3.663 . . . . . . . . . . . 6059 1 392 . 1 1 47 47 HIS HA H 1 4.591 . . . . . . . . . . . 6059 1 393 . 1 1 47 47 HIS HB2 H 1 3.729 . . . . . . . . . . . 6059 1 394 . 1 1 48 48 SER CA C 13 61.741 . . . . . . . . . . . 6059 1 395 . 1 1 48 48 SER CB C 13 62.363 . . . . . . . . . . . 6059 1 396 . 1 1 48 48 SER HB2 H 1 3.954 . . . . . . . . . . . 6059 1 397 . 1 1 49 49 GLU H H 1 9.887 . . . . . . . . . . . 6059 1 398 . 1 1 49 49 GLU N N 15 119.622 . . . . . . . . . . . 6059 1 399 . 1 1 49 49 GLU CA C 13 58.93 . . . . . . . . . . . 6059 1 400 . 1 1 49 49 GLU CB C 13 28.302 . . . . . . . . . . . 6059 1 401 . 1 1 49 49 GLU HG2 H 1 2.43 . . . . . . . . . . . 6059 1 402 . 1 1 49 49 GLU HG3 H 1 2.43 . . . . . . . . . . . 6059 1 403 . 1 1 49 49 GLU HA H 1 4.233 . . . . . . . . . . . 6059 1 404 . 1 1 49 49 GLU HB2 H 1 2.06 . . . . . . . . . . . 6059 1 405 . 1 1 50 50 CYS H H 1 7.396 . . . . . . . . . . . 6059 1 406 . 1 1 50 50 CYS N N 15 118.774 . . . . . . . . . . . 6059 1 407 . 1 1 50 50 CYS CA C 13 61.118 . . . . . . . . . . . 6059 1 408 . 1 1 50 50 CYS CB C 13 30.49 . . . . . . . . . . . 6059 1 409 . 1 1 50 50 CYS HB3 H 1 2.95 . . . . . . . . . . . 6059 1 410 . 1 1 50 50 CYS HA H 1 4.307 . . . . . . . . . . . 6059 1 411 . 1 1 50 50 CYS HB2 H 1 3.28 . . . . . . . . . . . 6059 1 412 . 1 1 51 51 ARG H H 1 7.054 . . . . . . . . . . . 6059 1 413 . 1 1 51 51 ARG N N 15 121.036 . . . . . . . . . . . 6059 1 414 . 1 1 51 51 ARG CA C 13 59.326 . . . . . . . . . . . 6059 1 415 . 1 1 51 51 ARG CB C 13 29.543 . . . . . . . . . . . 6059 1 416 . 1 1 51 51 ARG HB3 H 1 1.64 . . . . . . . . . . . 6059 1 417 . 1 1 51 51 ARG HG2 H 1 1.15 . . . . . . . . . . . 6059 1 418 . 1 1 51 51 ARG HG3 H 1 0.98 . . . . . . . . . . . 6059 1 419 . 1 1 51 51 ARG HD2 H 1 2.64 . . . . . . . . . . . 6059 1 420 . 1 1 51 51 ARG HD3 H 1 2.88 . . . . . . . . . . . 6059 1 421 . 1 1 51 51 ARG HA H 1 3.74 . . . . . . . . . . . 6059 1 422 . 1 1 51 51 ARG HB2 H 1 1.475 . . . . . . . . . . . 6059 1 423 . 1 1 52 52 SER H H 1 8.355 . . . . . . . . . . . 6059 1 424 . 1 1 52 52 SER N N 15 112.743 . . . . . . . . . . . 6059 1 425 . 1 1 52 52 SER CA C 13 59.692 . . . . . . . . . . . 6059 1 426 . 1 1 52 52 SER CB C 13 62.388 . . . . . . . . . . . 6059 1 427 . 1 1 52 52 SER HB3 H 1 3.94 . . . . . . . . . . . 6059 1 428 . 1 1 52 52 SER HA H 1 4.783 . . . . . . . . . . . 6059 1 429 . 1 1 52 52 SER HB2 H 1 4.172 . . . . . . . . . . . 6059 1 430 . 1 1 53 53 LEU H H 1 7.503 . . . . . . . . . . . 6059 1 431 . 1 1 53 53 LEU N N 15 120.916 . . . . . . . . . . . 6059 1 432 . 1 1 53 53 LEU CA C 13 54.179 . . . . . . . . . . . 6059 1 433 . 1 1 53 53 LEU CB C 13 41.821 . . . . . . . . . . . 6059 1 434 . 1 1 53 53 LEU HD11 H 1 0.96 . . . . . . . . . . . 6059 1 435 . 1 1 53 53 LEU HD12 H 1 0.96 . . . . . . . . . . . 6059 1 436 . 1 1 53 53 LEU HD13 H 1 0.96 . . . . . . . . . . . 6059 1 437 . 1 1 53 53 LEU HD21 H 1 0.96 . . . . . . . . . . . 6059 1 438 . 1 1 53 53 LEU HD22 H 1 0.96 . . . . . . . . . . . 6059 1 439 . 1 1 53 53 LEU HD23 H 1 0.96 . . . . . . . . . . . 6059 1 440 . 1 1 53 53 LEU HG H 1 1.87 . . . . . . . . . . . 6059 1 441 . 1 1 53 53 LEU HA H 1 4.403 . . . . . . . . . . . 6059 1 442 . 1 1 53 53 LEU HB2 H 1 1.58 . . . . . . . . . . . 6059 1 443 . 1 1 54 54 ILE H H 1 7.088 . . . . . . . . . . . 6059 1 444 . 1 1 54 54 ILE N N 15 120.38 . . . . . . . . . . . 6059 1 445 . 1 1 54 54 ILE CA C 13 62.944 . . . . . . . . . . . 6059 1 446 . 1 1 54 54 ILE CB C 13 38.522 . . . . . . . . . . . 6059 1 447 . 1 1 54 54 ILE HG21 H 1 0.68 . . . . . . . . . . . 6059 1 448 . 1 1 54 54 ILE HG22 H 1 0.68 . . . . . . . . . . . 6059 1 449 . 1 1 54 54 ILE HG23 H 1 0.68 . . . . . . . . . . . 6059 1 450 . 1 1 54 54 ILE HA H 1 3.721 . . . . . . . . . . . 6059 1 451 . 1 1 54 54 ILE HB H 1 1.714 . . . . . . . . . . . 6059 1 452 . 1 1 55 55 GLN H H 1 8.826 . . . . . . . . . . . 6059 1 453 . 1 1 55 55 GLN N N 15 127.281 . . . . . . . . . . . 6059 1 454 . 1 1 55 55 GLN CA C 13 55.031 . . . . . . . . . . . 6059 1 455 . 1 1 55 55 GLN CB C 13 29.985 . . . . . . . . . . . 6059 1 456 . 1 1 55 55 GLN HG2 H 1 2.433 . . . . . . . . . . . 6059 1 457 . 1 1 55 55 GLN HG3 H 1 2.433 . . . . . . . . . . . 6059 1 458 . 1 1 55 55 GLN HA H 1 4.485 . . . . . . . . . . . 6059 1 459 . 1 1 55 55 GLN HB2 H 1 1.89 . . . . . . . . . . . 6059 1 460 . 1 1 56 56 LEU H H 1 7.086 . . . . . . . . . . . 6059 1 461 . 1 1 56 56 LEU N N 15 121.319 . . . . . . . . . . . 6059 1 462 . 1 1 56 56 LEU CA C 13 54.486 . . . . . . . . . . . 6059 1 463 . 1 1 56 56 LEU CB C 13 43.611 . . . . . . . . . . . 6059 1 464 . 1 1 56 56 LEU HD11 H 1 1.017 . . . . . . . . . . . 6059 1 465 . 1 1 56 56 LEU HD12 H 1 1.017 . . . . . . . . . . . 6059 1 466 . 1 1 56 56 LEU HD13 H 1 1.017 . . . . . . . . . . . 6059 1 467 . 1 1 56 56 LEU HD21 H 1 1.017 . . . . . . . . . . . 6059 1 468 . 1 1 56 56 LEU HD22 H 1 1.017 . . . . . . . . . . . 6059 1 469 . 1 1 56 56 LEU HD23 H 1 1.017 . . . . . . . . . . . 6059 1 470 . 1 1 56 56 LEU HG H 1 1.8 . . . . . . . . . . . 6059 1 471 . 1 1 56 56 LEU HA H 1 4.479 . . . . . . . . . . . 6059 1 472 . 1 1 56 56 LEU HB2 H 1 1.58 . . . . . . . . . . . 6059 1 473 . 1 1 57 57 ASP H H 1 8.779 . . . . . . . . . . . 6059 1 474 . 1 1 57 57 ASP N N 15 125.843 . . . . . . . . . . . 6059 1 475 . 1 1 57 57 ASP CA C 13 53.617 . . . . . . . . . . . 6059 1 476 . 1 1 57 57 ASP CB C 13 41.116 . . . . . . . . . . . 6059 1 477 . 1 1 57 57 ASP HA H 1 4.513 . . . . . . . . . . . 6059 1 478 . 1 1 57 57 ASP HB2 H 1 2.558 . . . . . . . . . . . 6059 1 479 . 1 1 58 58 CYS H H 1 7.925 . . . . . . . . . . . 6059 1 480 . 1 1 58 58 CYS N N 15 124.146 . . . . . . . . . . . 6059 1 481 . 1 1 58 58 CYS CA C 13 60.805 . . . . . . . . . . . 6059 1 482 . 1 1 58 58 CYS CB C 13 28.302 . . . . . . . . . . . 6059 1 483 . 1 1 58 58 CYS HB3 H 1 1.09 . . . . . . . . . . . 6059 1 484 . 1 1 58 58 CYS HB2 H 1 2.4 . . . . . . . . . . . 6059 1 485 . 1 1 59 59 ARG H H 1 7.85 . . . . . . . . . . . 6059 1 486 . 1 1 59 59 ARG N N 15 131.969 . . . . . . . . . . . 6059 1 487 . 1 1 59 59 ARG CA C 13 57.075 . . . . . . . . . . . 6059 1 488 . 1 1 59 59 ARG CB C 13 31.553 . . . . . . . . . . . 6059 1 489 . 1 1 59 59 ARG HG2 H 1 3.86 . . . . . . . . . . . 6059 1 490 . 1 1 59 59 ARG HG3 H 1 3.16 . . . . . . . . . . . 6059 1 491 . 1 1 59 59 ARG HD2 H 1 1.55 . . . . . . . . . . . 6059 1 492 . 1 1 59 59 ARG HD3 H 1 1.55 . . . . . . . . . . . 6059 1 493 . 1 1 59 59 ARG HA H 1 4.202 . . . . . . . . . . . 6059 1 494 . 1 1 59 59 ARG HB2 H 1 1.81 . . . . . . . . . . . 6059 1 stop_ save_ ######################## # Coupling constants # ######################## save_J_values_set_1 _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode J_values_set_1 _Coupling_constant_list.Entry_ID 6059 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $condition_1 _Coupling_constant_list.Spectrometer_frequency_1H 600 _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID . . 1 $sample_1 . 6059 1 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHNHA . 1 1 2 2 ARG H H 1 . . 1 1 2 2 ARG HA H 1 . 5.60 . . 0.560 . . . . . . . . . . . 6059 1 2 3JHNHA . 1 1 3 3 VAL H H 1 . . 1 1 3 3 VAL HA H 1 . 6.45 . . 0.645 . . . . . . . . . . . 6059 1 3 3JHNHA . 1 1 4 4 LEU H H 1 . . 1 1 4 4 LEU HA H 1 . 5.61 . . 0.561 . . . . . . . . . . . 6059 1 4 3JHNHA . 1 1 6 6 GLU H H 1 . . 1 1 6 6 GLU HA H 1 . 5.94 . . 0.594 . . . . . . . . . . . 6059 1 5 3JHNHA . 1 1 8 8 GLY H H 1 . . 1 1 8 8 GLY HA H 1 . 5.42 . . 0.542 . . . . . . . . . . . 6059 1 6 3JHNHA . 1 1 9 9 GLU H H 1 . . 1 1 9 9 GLU HA H 1 . 6.49 . . 0.649 . . . . . . . . . . . 6059 1 7 3JHNHA . 1 1 10 10 GLY H H 1 . . 1 1 10 10 GLY HA H 1 . 4.82 . . 0.482 . . . . . . . . . . . 6059 1 8 3JHNHA . 1 1 12 12 ARG H H 1 . . 1 1 12 12 ARG HA H 1 . 8.10 . . 0.810 . . . . . . . . . . . 6059 1 9 3JHNHA . 1 1 14 14 VAL H H 1 . . 1 1 14 14 VAL HA H 1 . 8.68 . . 0.868 . . . . . . . . . . . 6059 1 10 3JHNHA . 1 1 15 15 GLU H H 1 . . 1 1 15 15 GLU HA H 1 . 3.66 . . 0.366 . . . . . . . . . . . 6059 1 11 3JHNHA . 1 1 16 16 LEU H H 1 . . 1 1 16 16 LEU HA H 1 . 7.77 . . 0.777 . . . . . . . . . . . 6059 1 12 3JHNHA . 1 1 17 17 ALA H H 1 . . 1 1 17 17 ALA HA H 1 . 5.57 . . 0.557 . . . . . . . . . . . 6059 1 13 3JHNHA . 1 1 18 18 LEU H H 1 . . 1 1 18 18 LEU HA H 1 . 6.56 . . 0.656 . . . . . . . . . . . 6059 1 14 3JHNHA . 1 1 21 21 GLY H H 1 . . 1 1 21 21 GLY HA H 1 . 4.60 . . 0.460 . . . . . . . . . . . 6059 1 15 3JHNHA . 1 1 23 23 GLY H H 1 . . 1 1 23 23 GLY HA H 1 . 6.70 . . 0.670 . . . . . . . . . . . 6059 1 16 3JHNHA . 1 1 24 24 TRP H H 1 . . 1 1 24 24 TRP HA H 1 . 7.90 . . 0.790 . . . . . . . . . . . 6059 1 17 3JHNHA . 1 1 25 25 CYS H H 1 . . 1 1 25 25 CYS HA H 1 . 5.41 . . 0.541 . . . . . . . . . . . 6059 1 18 3JHNHA . 1 1 26 26 ASP H H 1 . . 1 1 26 26 ASP HA H 1 . 4.62 . . 0.462 . . . . . . . . . . . 6059 1 19 3JHNHA . 1 1 28 28 CYS H H 1 . . 1 1 28 28 CYS HA H 1 . 7.07 . . 0.707 . . . . . . . . . . . 6059 1 20 3JHNHA . 1 1 29 29 GLY H H 1 . . 1 1 29 29 GLY HA H 1 . 5.20 . . 0.520 . . . . . . . . . . . 6059 1 21 3JHNHA . 1 1 30 30 ARG H H 1 . . 1 1 30 30 ARG HA H 1 . 7.56 . . 0.756 . . . . . . . . . . . 6059 1 22 3JHNHA . 1 1 31 31 GLU H H 1 . . 1 1 31 31 GLU HA H 1 . 2.67 . . 0.267 . . . . . . . . . . . 6059 1 23 3JHNHA . 1 1 33 33 LEU H H 1 . . 1 1 33 33 LEU HA H 1 . 7.21 . . 0.721 . . . . . . . . . . . 6059 1 24 3JHNHA . 1 1 34 34 ARG H H 1 . . 1 1 34 34 ARG HA H 1 . 5.93 . . 0.593 . . . . . . . . . . . 6059 1 25 3JHNHA . 1 1 35 35 GLN H H 1 . . 1 1 35 35 GLN HA H 1 . 6.20 . . 0.620 . . . . . . . . . . . 6059 1 26 3JHNHA . 1 1 36 36 ALA H H 1 . . 1 1 36 36 ALA HA H 1 . 6.46 . . 0.646 . . . . . . . . . . . 6059 1 27 3JHNHA . 1 1 37 37 LEU H H 1 . . 1 1 37 37 LEU HA H 1 . 7.95 . . 0.795 . . . . . . . . . . . 6059 1 28 3JHNHA . 1 1 38 38 ARG H H 1 . . 1 1 38 38 ARG HA H 1 . 7.27 . . 0.727 . . . . . . . . . . . 6059 1 29 3JHNHA . 1 1 39 39 CYS H H 1 . . 1 1 39 39 CYS HA H 1 . 4.52 . . 0.452 . . . . . . . . . . . 6059 1 30 3JHNHA . 1 1 40 40 ALA H H 1 . . 1 1 40 40 ALA HA H 1 . 3.20 . . 0.320 . . . . . . . . . . . 6059 1 31 3JHNHA . 1 1 41 41 ASN H H 1 . . 1 1 41 41 ASN HA H 1 . 8.06 . . 0.806 . . . . . . . . . . . 6059 1 32 3JHNHA . 1 1 42 42 CYS H H 1 . . 1 1 42 42 CYS HA H 1 . 6.76 . . 0.676 . . . . . . . . . . . 6059 1 33 3JHNHA . 1 1 43 43 LYS H H 1 . . 1 1 43 43 LYS HA H 1 . 5.98 . . 0.598 . . . . . . . . . . . 6059 1 34 3JHNHA . 1 1 44 44 PHE H H 1 . . 1 1 44 44 PHE HA H 1 . 2.31 . . 0.231 . . . . . . . . . . . 6059 1 35 3JHNHA . 1 1 45 45 THR H H 1 . . 1 1 45 45 THR HA H 1 . 8.30 . . 0.830 . . . . . . . . . . . 6059 1 36 3JHNHA . 1 1 46 46 CYS H H 1 . . 1 1 46 46 CYS HA H 1 . 6.74 . . 0.674 . . . . . . . . . . . 6059 1 37 3JHNHA . 1 1 47 47 HIS H H 1 . . 1 1 47 47 HIS HA H 1 . 4.40 . . 0.440 . . . . . . . . . . . 6059 1 38 3JHNHA . 1 1 50 50 CYS H H 1 . . 1 1 50 50 CYS HA H 1 . 7.49 . . 0.749 . . . . . . . . . . . 6059 1 39 3JHNHA . 1 1 53 53 LEU H H 1 . . 1 1 53 53 LEU HA H 1 . 7.21 . . 0.721 . . . . . . . . . . . 6059 1 40 3JHNHA . 1 1 55 55 GLN H H 1 . . 1 1 55 55 GLN HA H 1 . 7.30 . . 0.730 . . . . . . . . . . . 6059 1 41 3JHNHA . 1 1 57 57 ASP H H 1 . . 1 1 57 57 ASP HA H 1 . 5.22 . . 0.522 . . . . . . . . . . . 6059 1 42 3JHNHA . 1 1 59 59 ARG H H 1 . . 1 1 59 59 ARG HA H 1 . 6.66 . . 0.666 . . . . . . . . . . . 6059 1 stop_ save_