data_6845 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6845 _Entry.Title ; NMR Structural analysis of archaeal Nop10 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-09-29 _Entry.Accession_date 2005-10-20 _Entry.Last_release_date 2005-12-28 _Entry.Original_release_date 2005-12-28 _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 T. Hamma . . . 6845 2 S. Reichow . . . 6845 3 G. Varani . . . 6845 4 A. Ferre-D'Amare . . . 6845 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6845 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 273 6845 '15N chemical shifts' 64 6845 '1H chemical shifts' 480 6845 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 . . 2005-12-28 2005-09-29 original author . 6845 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 6846 'Nop10 from Saccharomyces cerevisiae' 6845 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6845 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16286935 _Citation.Full_citation . _Citation.Title 'The Cbf5-Nop10 complex is a molecular bracket that organizes box H/ACA RNPs' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 12 _Citation.Journal_issue 12 _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 1101 _Citation.Page_last 1107 _Citation.Year 2005 _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 T. Hamma . . . 6845 1 2 S. Reichow . L. . 6845 1 3 G. Varani . . . 6845 1 4 A. Ferre-D'Amare . R. . 6845 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID aNop10 6845 1 Zinc-Ribbon 6845 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system _Assembly.Sf_category assembly _Assembly.Sf_framecode system _Assembly.Entry_ID 6845 _Assembly.ID 1 _Assembly.Name 'Ribosome biogenesis protein Nop10' _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 'all other bound' _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 6845 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 'Ribosome biogenesis protein Nop10' 1 $Nop10 . . . native . . . . . 6845 1 2 'ZINC (II) ION' 2 $ZN . . . native . . . . . 6845 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 12 12 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 6845 1 2 coordination single . 1 . 1 CYS 15 15 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 6845 1 3 coordination single . 1 . 1 CYS 24 24 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 6845 1 4 coordination single . 1 . 1 CYS 27 27 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 6845 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Ribosome biogenesis protein Nop10' abbreviation 6845 1 'Ribosome biogenesis protein Nop10' system 6845 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Nop10 _Entity.Sf_category entity _Entity.Sf_framecode Nop10 _Entity.Entry_ID 6845 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Ribosome biogenesis protein Nop10' _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 ; GSHMVEMRMKKCPKCGLYTL KEICPKCGEKTVIPKPPKFS LEDRWGKYRRMLKRALKNKN KAE ; _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 63 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all other bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 2AQC . "Nmr Structural Analysis Of Archaeal Nop10" . . . . . 100.00 63 100.00 100.00 1.06e-36 . . . . 6845 1 2 no GB AAB98109 . "conserved hypothetical protein [Methanocaldococcus jannaschii DSM 2661]" . . . . . 95.24 60 100.00 100.00 6.84e-34 . . . . 6845 1 3 no REF NP_247081 . "hypothetical protein MJ_0116.1 [Methanocaldococcus jannaschii DSM 2661]" . . . . . 95.24 60 100.00 100.00 6.84e-34 . . . . 6845 1 4 no REF WP_010869609 . "ribosome biogenesis protein Nop10 [Methanocaldococcus jannaschii]" . . . . . 95.24 60 100.00 100.00 6.84e-34 . . . . 6845 1 5 no SP P81303 . "RecName: Full=Ribosome biogenesis protein Nop10 [Methanocaldococcus jannaschii DSM 2661]" . . . . . 95.24 60 100.00 100.00 6.84e-34 . . . . 6845 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Ribosome biogenesis protein Nop10' abbreviation 6845 1 'Ribosome biogenesis protein Nop10' common 6845 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 -3 GLY . 6845 1 2 -2 SER . 6845 1 3 -1 HIS . 6845 1 4 1 MET . 6845 1 5 2 VAL . 6845 1 6 3 GLU . 6845 1 7 4 MET . 6845 1 8 5 ARG . 6845 1 9 6 MET . 6845 1 10 7 LYS . 6845 1 11 8 LYS . 6845 1 12 9 CYS . 6845 1 13 10 PRO . 6845 1 14 11 LYS . 6845 1 15 12 CYS . 6845 1 16 13 GLY . 6845 1 17 14 LEU . 6845 1 18 15 TYR . 6845 1 19 16 THR . 6845 1 20 17 LEU . 6845 1 21 18 LYS . 6845 1 22 19 GLU . 6845 1 23 20 ILE . 6845 1 24 21 CYS . 6845 1 25 22 PRO . 6845 1 26 23 LYS . 6845 1 27 24 CYS . 6845 1 28 25 GLY . 6845 1 29 26 GLU . 6845 1 30 27 LYS . 6845 1 31 28 THR . 6845 1 32 29 VAL . 6845 1 33 30 ILE . 6845 1 34 31 PRO . 6845 1 35 32 LYS . 6845 1 36 33 PRO . 6845 1 37 34 PRO . 6845 1 38 35 LYS . 6845 1 39 36 PHE . 6845 1 40 37 SER . 6845 1 41 38 LEU . 6845 1 42 39 GLU . 6845 1 43 40 ASP . 6845 1 44 41 ARG . 6845 1 45 42 TRP . 6845 1 46 43 GLY . 6845 1 47 44 LYS . 6845 1 48 45 TYR . 6845 1 49 46 ARG . 6845 1 50 47 ARG . 6845 1 51 48 MET . 6845 1 52 49 LEU . 6845 1 53 50 LYS . 6845 1 54 51 ARG . 6845 1 55 52 ALA . 6845 1 56 53 LEU . 6845 1 57 54 LYS . 6845 1 58 55 ASN . 6845 1 59 56 LYS . 6845 1 60 57 ASN . 6845 1 61 58 LYS . 6845 1 62 59 ALA . 6845 1 63 60 GLU . 6845 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 6845 1 . SER 2 2 6845 1 . HIS 3 3 6845 1 . MET 4 4 6845 1 . VAL 5 5 6845 1 . GLU 6 6 6845 1 . MET 7 7 6845 1 . ARG 8 8 6845 1 . MET 9 9 6845 1 . LYS 10 10 6845 1 . LYS 11 11 6845 1 . CYS 12 12 6845 1 . PRO 13 13 6845 1 . LYS 14 14 6845 1 . CYS 15 15 6845 1 . GLY 16 16 6845 1 . LEU 17 17 6845 1 . TYR 18 18 6845 1 . THR 19 19 6845 1 . LEU 20 20 6845 1 . LYS 21 21 6845 1 . GLU 22 22 6845 1 . ILE 23 23 6845 1 . CYS 24 24 6845 1 . PRO 25 25 6845 1 . LYS 26 26 6845 1 . CYS 27 27 6845 1 . GLY 28 28 6845 1 . GLU 29 29 6845 1 . LYS 30 30 6845 1 . THR 31 31 6845 1 . VAL 32 32 6845 1 . ILE 33 33 6845 1 . PRO 34 34 6845 1 . LYS 35 35 6845 1 . PRO 36 36 6845 1 . PRO 37 37 6845 1 . LYS 38 38 6845 1 . PHE 39 39 6845 1 . SER 40 40 6845 1 . LEU 41 41 6845 1 . GLU 42 42 6845 1 . ASP 43 43 6845 1 . ARG 44 44 6845 1 . TRP 45 45 6845 1 . GLY 46 46 6845 1 . LYS 47 47 6845 1 . TYR 48 48 6845 1 . ARG 49 49 6845 1 . ARG 50 50 6845 1 . MET 51 51 6845 1 . LEU 52 52 6845 1 . LYS 53 53 6845 1 . ARG 54 54 6845 1 . ALA 55 55 6845 1 . LEU 56 56 6845 1 . LYS 57 57 6845 1 . ASN 58 58 6845 1 . LYS 59 59 6845 1 . ASN 60 60 6845 1 . LYS 61 61 6845 1 . ALA 62 62 6845 1 . GLU 63 63 6845 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 6845 _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 . 6845 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 6845 _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 $Nop10 . 2190 organism . 'Methanocaldococcus jannaschii' 'Methanocaldococcus jannaschii' . . Archaea . Methanocaldococcus jannaschii . . . . . . . . . . . . . . . . . . . . . 6845 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 6845 _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 $Nop10 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6845 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 6845 _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 Fri Jun 10 14:23:33 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 InChI=1S/Zn/q+2 InChI InChI 1.03 6845 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 6845 ZN [Zn++] SMILES CACTVS 3.341 6845 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 6845 ZN [Zn+2] SMILES ACDLabs 10.04 6845 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 6845 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 6845 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 6845 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 6845 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 . 6845 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6845 _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 'Ribosome biogenesis protein Nop10' . . . 1 $Nop10 . . 1 . . mM . . . . 6845 1 2 'Sodium Acetate' . . . . . . . 50 . . mM . . . . 6845 1 3 KCl . . . . . . . 100 . . mM . . . . 6845 1 4 DTT . . . . . . . 2 . . mM . . . . 6845 1 5 ZnCl2 . . . . . . . 100 . . uM . . . . 6845 1 6 H2O . . . . . . . 90 . . % . . . . 6845 1 7 D2O . . . . . . . 10 . . % . . . . 6845 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6845 _Sample.ID 2 _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 'Ribosome biogenesis protein Nop10' . . . 1 $Nop10 . . 1 . . mM . . . . 6845 2 2 'Sodium Acetate' . . . . . . . 50 . . mM . . . . 6845 2 3 KCl . . . . . . . 100 . . mM . . . . 6845 2 4 DTT . . . . . . . 2 . . mM . . . . 6845 2 5 ZnCl2 . . . . . . . 100 . . uM . . . . 6845 2 6 D2O . . . . . . . 100 . . % . . . . 6845 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 6845 _Sample.ID 3 _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 'Ribosome biogenesis protein Nop10' [U-15N] . . 1 $Nop10 . . 1 . . mM . . . . 6845 3 2 'Sodium Acetate' . . . . . . . 50 . . mM . . . . 6845 3 3 KCl . . . . . . . 100 . . mM . . . . 6845 3 4 DTT . . . . . . . 2 . . mM . . . . 6845 3 5 ZnCl2 . . . . . . . 100 . . uM . . . . 6845 3 6 H2O . . . . . . . 90 . . % . . . . 6845 3 7 D2O . . . . . . . 10 . . % . . . . 6845 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 6845 _Sample.ID 4 _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 'Ribosome biogenesis protein Nop10' '[U-13C; U-15N]' . . 1 $Nop10 . . 1 . . mM . . . . 6845 4 2 'Sodium Acetate' . . . . . . . 50 . . mM . . . . 6845 4 3 KCl . . . . . . . 100 . . mM . . . . 6845 4 4 DTT . . . . . . . 2 . . mM . . . . 6845 4 5 ZnCl2 . . . . . . . 100 . . uM . . . . 6845 4 6 H2O . . . . . . . 90 . . % . . . . 6845 4 7 D2O . . . . . . . 10 . . % . . . . 6845 4 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 6845 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 6845 1 pH 5.0 . pH 6845 1 pressure 1 . atm 6845 1 temperature 298 . K 6845 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 6845 _Software.ID 1 _Software.Name CYANA _Software.Version 'v. 2.0' _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 6845 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 6845 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 6845 _Software.ID 2 _Software.Name NMRPipe _Software.Version 'v. 2.3' _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 6845 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 6845 2 stop_ save_ save_Sparky _Software.Sf_category software _Software.Sf_framecode Sparky _Software.Entry_ID 6845 _Software.ID 3 _Software.Name SPARKY _Software.Version 'v. 3.110' _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Goddard. T.D.' . . 6845 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 6845 3 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 6845 _Software.ID 4 _Software.Name TALOS _Software.Version 'v. 2003.027.13.05' _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, G.' . . 6845 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 6845 4 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 6845 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6845 _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 Varian INOVA . 800 . . . 6845 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 6845 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D NOESY' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6845 1 2 '3D 15N-separated NOESY' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6845 1 3 '3D 13C-separated NOESY' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6845 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 6845 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D 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 . _NMR_spec_expt.Software_label . _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 6845 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 15N-separated 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 . _NMR_spec_expt.Software_label . _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 6845 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '3D 13C-separated 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 . _NMR_spec_expt.Software_label . _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 6845 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 6845 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 external direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 6845 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 6845 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 6845 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_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 '2D NOESY' . . . 6845 1 2 '3D 15N-separated NOESY' . . . 6845 1 3 '3D 13C-separated NOESY' . . . 6845 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 2 2 SER N N 15 115.010 0.000 . 1 . . . . -2 . . . 6845 1 2 . 1 1 2 2 SER H H 1 8.650 0.000 . 1 . . . . -2 . . . 6845 1 3 . 1 1 2 2 SER CA C 13 58.170 0.080 . 1 . . . . -2 . . . 6845 1 4 . 1 1 2 2 SER HA H 1 4.470 0.000 . 1 . . . . -2 . . . 6845 1 5 . 1 1 2 2 SER CB C 13 63.840 0.090 . 1 . . . . -2 . . . 6845 1 6 . 1 1 2 2 SER HB2 H 1 3.830 0.010 . 1 . . . . -2 . . . 6845 1 7 . 1 1 2 2 SER HB3 H 1 3.830 0.010 . 1 . . . . -2 . . . 6845 1 8 . 1 1 2 2 SER C C 13 174.390 0.000 . 1 . . . . -2 . . . 6845 1 9 . 1 1 3 3 HIS N N 15 120.240 0.040 . 1 . . . . -1 . . . 6845 1 10 . 1 1 3 3 HIS H H 1 8.700 0.010 . 1 . . . . -1 . . . 6845 1 11 . 1 1 3 3 HIS CA C 13 55.510 0.010 . 1 . . . . -1 . . . 6845 1 12 . 1 1 3 3 HIS HA H 1 4.720 0.000 . 1 . . . . -1 . . . 6845 1 13 . 1 1 3 3 HIS CB C 13 29.090 0.020 . 1 . . . . -1 . . . 6845 1 14 . 1 1 3 3 HIS HB2 H 1 3.270 0.010 . 2 . . . . -1 . . . 6845 1 15 . 1 1 3 3 HIS HB3 H 1 3.160 0.010 . 2 . . . . -1 . . . 6845 1 16 . 1 1 3 3 HIS C C 13 174.350 0.000 . 1 . . . . -1 . . . 6845 1 17 . 1 1 4 4 MET N N 15 121.610 0.030 . 1 . . . . 1 . . . 6845 1 18 . 1 1 4 4 MET H H 1 8.430 0.010 . 1 . . . . 1 . . . 6845 1 19 . 1 1 4 4 MET CA C 13 55.850 0.090 . 1 . . . . 1 . . . 6845 1 20 . 1 1 4 4 MET HA H 1 4.440 0.010 . 1 . . . . 1 . . . 6845 1 21 . 1 1 4 4 MET CB C 13 32.920 0.100 . 1 . . . . 1 . . . 6845 1 22 . 1 1 4 4 MET HB2 H 1 2.040 0.010 . 2 . . . . 1 . . . 6845 1 23 . 1 1 4 4 MET HB3 H 1 1.980 0.000 . 2 . . . . 1 . . . 6845 1 24 . 1 1 4 4 MET CG C 13 32.020 0.000 . 1 . . . . 1 . . . 6845 1 25 . 1 1 4 4 MET HG2 H 1 2.550 0.010 . 1 . . . . 1 . . . 6845 1 26 . 1 1 4 4 MET HG3 H 1 2.550 0.010 . 1 . . . . 1 . . . 6845 1 27 . 1 1 4 4 MET HE1 H 1 2.100 0.010 . 1 . . . . 1 . . . 6845 1 28 . 1 1 4 4 MET HE2 H 1 2.100 0.010 . 1 . . . . 1 . . . 6845 1 29 . 1 1 4 4 MET HE3 H 1 2.100 0.010 . 1 . . . . 1 . . . 6845 1 30 . 1 1 4 4 MET CE C 13 17.090 0.020 . 1 . . . . 1 . . . 6845 1 31 . 1 1 4 4 MET C C 13 176.130 0.000 . 1 . . . . 1 . . . 6845 1 32 . 1 1 5 5 VAL N N 15 121.230 0.020 . 1 . . . . 2 . . . 6845 1 33 . 1 1 5 5 VAL H H 1 8.180 0.000 . 1 . . . . 2 . . . 6845 1 34 . 1 1 5 5 VAL CA C 13 62.460 0.050 . 1 . . . . 2 . . . 6845 1 35 . 1 1 5 5 VAL HA H 1 4.060 0.010 . 1 . . . . 2 . . . 6845 1 36 . 1 1 5 5 VAL CB C 13 32.690 0.140 . 1 . . . . 2 . . . 6845 1 37 . 1 1 5 5 VAL HB H 1 2.050 0.010 . 1 . . . . 2 . . . 6845 1 38 . 1 1 5 5 VAL HG11 H 1 0.930 0.010 . 1 . . . . 2 . . . 6845 1 39 . 1 1 5 5 VAL HG12 H 1 0.930 0.010 . 1 . . . . 2 . . . 6845 1 40 . 1 1 5 5 VAL HG13 H 1 0.930 0.010 . 1 . . . . 2 . . . 6845 1 41 . 1 1 5 5 VAL HG21 H 1 0.930 0.010 . 1 . . . . 2 . . . 6845 1 42 . 1 1 5 5 VAL HG22 H 1 0.930 0.010 . 1 . . . . 2 . . . 6845 1 43 . 1 1 5 5 VAL HG23 H 1 0.930 0.010 . 1 . . . . 2 . . . 6845 1 44 . 1 1 5 5 VAL CG1 C 13 20.860 0.100 . 1 . . . . 2 . . . 6845 1 45 . 1 1 5 5 VAL CG2 C 13 20.760 0.000 . 1 . . . . 2 . . . 6845 1 46 . 1 1 5 5 VAL C C 13 176.000 0.000 . 1 . . . . 2 . . . 6845 1 47 . 1 1 6 6 GLU N N 15 124.120 0.060 . 1 . . . . 3 . . . 6845 1 48 . 1 1 6 6 GLU H H 1 8.460 0.010 . 1 . . . . 3 . . . 6845 1 49 . 1 1 6 6 GLU CA C 13 56.550 0.030 . 1 . . . . 3 . . . 6845 1 50 . 1 1 6 6 GLU HA H 1 4.260 0.010 . 1 . . . . 3 . . . 6845 1 51 . 1 1 6 6 GLU CB C 13 30.330 0.060 . 1 . . . . 3 . . . 6845 1 52 . 1 1 6 6 GLU HB2 H 1 2.000 0.010 . 2 . . . . 3 . . . 6845 1 53 . 1 1 6 6 GLU HB3 H 1 1.930 0.010 . 2 . . . . 3 . . . 6845 1 54 . 1 1 6 6 GLU CG C 13 36.120 0.060 . 1 . . . . 3 . . . 6845 1 55 . 1 1 6 6 GLU HG2 H 1 2.240 0.010 . 1 . . . . 3 . . . 6845 1 56 . 1 1 6 6 GLU HG3 H 1 2.240 0.010 . 1 . . . . 3 . . . 6845 1 57 . 1 1 6 6 GLU C C 13 176.330 0.000 . 1 . . . . 3 . . . 6845 1 58 . 1 1 7 7 MET N N 15 121.750 0.020 . 1 . . . . 4 . . . 6845 1 59 . 1 1 7 7 MET H H 1 8.390 0.010 . 1 . . . . 4 . . . 6845 1 60 . 1 1 7 7 MET CA C 13 55.360 0.070 . 1 . . . . 4 . . . 6845 1 61 . 1 1 7 7 MET HA H 1 4.490 0.000 . 1 . . . . 4 . . . 6845 1 62 . 1 1 7 7 MET CB C 13 33.010 0.020 . 1 . . . . 4 . . . 6845 1 63 . 1 1 7 7 MET HB2 H 1 2.060 0.010 . 2 . . . . 4 . . . 6845 1 64 . 1 1 7 7 MET HB3 H 1 2.000 0.010 . 2 . . . . 4 . . . 6845 1 65 . 1 1 7 7 MET CG C 13 32.060 0.060 . 1 . . . . 4 . . . 6845 1 66 . 1 1 7 7 MET HG2 H 1 2.600 0.010 . 2 . . . . 4 . . . 6845 1 67 . 1 1 7 7 MET HG3 H 1 2.520 0.010 . 2 . . . . 4 . . . 6845 1 68 . 1 1 7 7 MET HE1 H 1 2.070 0.000 . 1 . . . . 4 . . . 6845 1 69 . 1 1 7 7 MET HE2 H 1 2.070 0.000 . 1 . . . . 4 . . . 6845 1 70 . 1 1 7 7 MET HE3 H 1 2.070 0.000 . 1 . . . . 4 . . . 6845 1 71 . 1 1 7 7 MET CE C 13 17.120 0.000 . 1 . . . . 4 . . . 6845 1 72 . 1 1 7 7 MET C C 13 175.640 0.000 . 1 . . . . 4 . . . 6845 1 73 . 1 1 8 8 ARG N N 15 121.390 0.030 . 1 . . . . 5 . . . 6845 1 74 . 1 1 8 8 ARG H H 1 8.270 0.010 . 1 . . . . 5 . . . 6845 1 75 . 1 1 8 8 ARG CA C 13 55.340 0.050 . 1 . . . . 5 . . . 6845 1 76 . 1 1 8 8 ARG HA H 1 4.390 0.010 . 1 . . . . 5 . . . 6845 1 77 . 1 1 8 8 ARG CB C 13 31.110 0.140 . 1 . . . . 5 . . . 6845 1 78 . 1 1 8 8 ARG HB2 H 1 1.820 0.010 . 1 . . . . 5 . . . 6845 1 79 . 1 1 8 8 ARG HB3 H 1 1.820 0.010 . 1 . . . . 5 . . . 6845 1 80 . 1 1 8 8 ARG CG C 13 27.170 0.060 . 1 . . . . 5 . . . 6845 1 81 . 1 1 8 8 ARG HG2 H 1 1.650 0.010 . 2 . . . . 5 . . . 6845 1 82 . 1 1 8 8 ARG HG3 H 1 1.610 0.010 . 2 . . . . 5 . . . 6845 1 83 . 1 1 8 8 ARG CD C 13 43.350 0.030 . 1 . . . . 5 . . . 6845 1 84 . 1 1 8 8 ARG HD2 H 1 3.210 0.010 . 2 . . . . 5 . . . 6845 1 85 . 1 1 8 8 ARG HD3 H 1 3.180 0.010 . 2 . . . . 5 . . . 6845 1 86 . 1 1 8 8 ARG NE N 15 111.970 0.010 . 1 . . . . 5 . . . 6845 1 87 . 1 1 8 8 ARG HE H 1 7.290 0.010 . 1 . . . . 5 . . . 6845 1 88 . 1 1 8 8 ARG C C 13 175.420 0.000 . 1 . . . . 5 . . . 6845 1 89 . 1 1 9 9 MET N N 15 121.370 0.020 . 1 . . . . 6 . . . 6845 1 90 . 1 1 9 9 MET H H 1 8.190 0.010 . 1 . . . . 6 . . . 6845 1 91 . 1 1 9 9 MET CA C 13 55.820 0.040 . 1 . . . . 6 . . . 6845 1 92 . 1 1 9 9 MET HA H 1 4.330 0.010 . 1 . . . . 6 . . . 6845 1 93 . 1 1 9 9 MET CB C 13 32.450 0.120 . 1 . . . . 6 . . . 6845 1 94 . 1 1 9 9 MET HB2 H 1 2.020 0.010 . 1 . . . . 6 . . . 6845 1 95 . 1 1 9 9 MET HB3 H 1 2.020 0.010 . 1 . . . . 6 . . . 6845 1 96 . 1 1 9 9 MET CG C 13 32.200 0.100 . 1 . . . . 6 . . . 6845 1 97 . 1 1 9 9 MET HG2 H 1 2.700 0.010 . 2 . . . . 6 . . . 6845 1 98 . 1 1 9 9 MET HG3 H 1 2.580 0.010 . 2 . . . . 6 . . . 6845 1 99 . 1 1 9 9 MET HE1 H 1 1.990 0.010 . 1 . . . . 6 . . . 6845 1 100 . 1 1 9 9 MET HE2 H 1 1.990 0.010 . 1 . . . . 6 . . . 6845 1 101 . 1 1 9 9 MET HE3 H 1 1.990 0.010 . 1 . . . . 6 . . . 6845 1 102 . 1 1 9 9 MET CE C 13 16.610 0.090 . 1 . . . . 6 . . . 6845 1 103 . 1 1 9 9 MET C C 13 175.330 0.000 . 1 . . . . 6 . . . 6845 1 104 . 1 1 10 10 LYS N N 15 123.550 0.050 . 1 . . . . 7 . . . 6845 1 105 . 1 1 10 10 LYS H H 1 8.380 0.010 . 1 . . . . 7 . . . 6845 1 106 . 1 1 10 10 LYS CA C 13 55.290 0.050 . 1 . . . . 7 . . . 6845 1 107 . 1 1 10 10 LYS HA H 1 4.700 0.010 . 1 . . . . 7 . . . 6845 1 108 . 1 1 10 10 LYS CB C 13 34.990 0.070 . 1 . . . . 7 . . . 6845 1 109 . 1 1 10 10 LYS HB2 H 1 1.780 0.010 . 2 . . . . 7 . . . 6845 1 110 . 1 1 10 10 LYS HB3 H 1 1.670 0.010 . 2 . . . . 7 . . . 6845 1 111 . 1 1 10 10 LYS CG C 13 25.890 0.100 . 1 . . . . 7 . . . 6845 1 112 . 1 1 10 10 LYS HG2 H 1 1.160 0.010 . 2 . . . . 7 . . . 6845 1 113 . 1 1 10 10 LYS HG3 H 1 1.480 0.010 . 2 . . . . 7 . . . 6845 1 114 . 1 1 10 10 LYS CD C 13 28.620 0.040 . 1 . . . . 7 . . . 6845 1 115 . 1 1 10 10 LYS HD2 H 1 1.460 0.010 . 1 . . . . 7 . . . 6845 1 116 . 1 1 10 10 LYS HD3 H 1 1.460 0.010 . 1 . . . . 7 . . . 6845 1 117 . 1 1 10 10 LYS CE C 13 42.310 0.040 . 1 . . . . 7 . . . 6845 1 118 . 1 1 10 10 LYS HE2 H 1 2.790 0.010 . 2 . . . . 7 . . . 6845 1 119 . 1 1 10 10 LYS HE3 H 1 2.750 0.010 . 2 . . . . 7 . . . 6845 1 120 . 1 1 10 10 LYS C C 13 174.370 0.000 . 1 . . . . 7 . . . 6845 1 121 . 1 1 11 11 LYS N N 15 118.330 0.060 . 1 . . . . 8 . . . 6845 1 122 . 1 1 11 11 LYS H H 1 9.050 0.010 . 1 . . . . 8 . . . 6845 1 123 . 1 1 11 11 LYS CA C 13 53.710 0.080 . 1 . . . . 8 . . . 6845 1 124 . 1 1 11 11 LYS HA H 1 5.080 0.010 . 1 . . . . 8 . . . 6845 1 125 . 1 1 11 11 LYS CB C 13 37.660 0.060 . 1 . . . . 8 . . . 6845 1 126 . 1 1 11 11 LYS HB2 H 1 1.260 0.010 . 2 . . . . 8 . . . 6845 1 127 . 1 1 11 11 LYS HB3 H 1 1.060 0.010 . 2 . . . . 8 . . . 6845 1 128 . 1 1 11 11 LYS CG C 13 24.350 0.040 . 1 . . . . 8 . . . 6845 1 129 . 1 1 11 11 LYS HG2 H 1 0.760 0.010 . 2 . . . . 8 . . . 6845 1 130 . 1 1 11 11 LYS HG3 H 1 0.390 0.000 . 2 . . . . 8 . . . 6845 1 131 . 1 1 11 11 LYS CD C 13 29.730 0.080 . 1 . . . . 8 . . . 6845 1 132 . 1 1 11 11 LYS HD2 H 1 1.300 0.010 . 1 . . . . 8 . . . 6845 1 133 . 1 1 11 11 LYS HD3 H 1 1.300 0.010 . 1 . . . . 8 . . . 6845 1 134 . 1 1 11 11 LYS CE C 13 42.200 0.060 . 1 . . . . 8 . . . 6845 1 135 . 1 1 11 11 LYS HE2 H 1 2.720 0.010 . 2 . . . . 8 . . . 6845 1 136 . 1 1 11 11 LYS HE3 H 1 2.640 0.010 . 2 . . . . 8 . . . 6845 1 137 . 1 1 11 11 LYS C C 13 175.890 0.000 . 1 . . . . 8 . . . 6845 1 138 . 1 1 12 12 CYS N N 15 129.180 0.050 . 1 . . . . 9 . . . 6845 1 139 . 1 1 12 12 CYS H H 1 9.040 0.010 . 1 . . . . 9 . . . 6845 1 140 . 1 1 12 12 CYS CA C 13 56.860 0.090 . 1 . . . . 9 . . . 6845 1 141 . 1 1 12 12 CYS HA H 1 4.560 0.010 . 1 . . . . 9 . . . 6845 1 142 . 1 1 12 12 CYS CB C 13 31.650 0.080 . 1 . . . . 9 . . . 6845 1 143 . 1 1 12 12 CYS HB2 H 1 2.640 0.010 . 2 . . . . 9 . . . 6845 1 144 . 1 1 12 12 CYS HB3 H 1 3.130 0.010 . 2 . . . . 9 . . . 6845 1 145 . 1 1 13 13 PRO CD C 13 51.970 0.080 . 1 . . . . 10 . . . 6845 1 146 . 1 1 13 13 PRO CA C 13 64.040 0.030 . 1 . . . . 10 . . . 6845 1 147 . 1 1 13 13 PRO HA H 1 4.390 0.010 . 1 . . . . 10 . . . 6845 1 148 . 1 1 13 13 PRO CB C 13 32.260 0.110 . 1 . . . . 10 . . . 6845 1 149 . 1 1 13 13 PRO HB2 H 1 2.180 0.010 . 2 . . . . 10 . . . 6845 1 150 . 1 1 13 13 PRO HB3 H 1 2.080 0.010 . 2 . . . . 10 . . . 6845 1 151 . 1 1 13 13 PRO CG C 13 26.920 0.080 . 1 . . . . 10 . . . 6845 1 152 . 1 1 13 13 PRO HG2 H 1 2.180 0.000 . 2 . . . . 10 . . . 6845 1 153 . 1 1 13 13 PRO HG3 H 1 2.010 0.010 . 2 . . . . 10 . . . 6845 1 154 . 1 1 13 13 PRO HD2 H 1 4.230 0.010 . 2 . . . . 10 . . . 6845 1 155 . 1 1 13 13 PRO HD3 H 1 4.130 0.010 . 2 . . . . 10 . . . 6845 1 156 . 1 1 13 13 PRO C C 13 176.070 0.000 . 1 . . . . 10 . . . 6845 1 157 . 1 1 14 14 LYS N N 15 123.850 0.040 . 1 . . . . 11 . . . 6845 1 158 . 1 1 14 14 LYS H H 1 9.120 0.010 . 1 . . . . 11 . . . 6845 1 159 . 1 1 14 14 LYS CA C 13 58.300 0.050 . 1 . . . . 11 . . . 6845 1 160 . 1 1 14 14 LYS HA H 1 4.390 0.000 . 1 . . . . 11 . . . 6845 1 161 . 1 1 14 14 LYS CB C 13 34.000 0.100 . 1 . . . . 11 . . . 6845 1 162 . 1 1 14 14 LYS HB2 H 1 2.170 0.010 . 2 . . . . 11 . . . 6845 1 163 . 1 1 14 14 LYS HB3 H 1 1.730 0.010 . 2 . . . . 11 . . . 6845 1 164 . 1 1 14 14 LYS CG C 13 25.390 0.050 . 1 . . . . 11 . . . 6845 1 165 . 1 1 14 14 LYS HG2 H 1 1.350 0.010 . 1 . . . . 11 . . . 6845 1 166 . 1 1 14 14 LYS HG3 H 1 1.350 0.010 . 1 . . . . 11 . . . 6845 1 167 . 1 1 14 14 LYS CD C 13 29.110 0.000 . 1 . . . . 11 . . . 6845 1 168 . 1 1 14 14 LYS HD2 H 1 1.700 0.010 . 1 . . . . 11 . . . 6845 1 169 . 1 1 14 14 LYS HD3 H 1 1.700 0.010 . 1 . . . . 11 . . . 6845 1 170 . 1 1 14 14 LYS CE C 13 42.120 0.020 . 1 . . . . 11 . . . 6845 1 171 . 1 1 14 14 LYS HE2 H 1 2.980 0.010 . 1 . . . . 11 . . . 6845 1 172 . 1 1 14 14 LYS HE3 H 1 2.980 0.010 . 1 . . . . 11 . . . 6845 1 173 . 1 1 14 14 LYS C C 13 177.430 0.000 . 1 . . . . 11 . . . 6845 1 174 . 1 1 15 15 CYS N N 15 120.430 0.030 . 1 . . . . 12 . . . 6845 1 175 . 1 1 15 15 CYS H H 1 9.330 0.010 . 1 . . . . 12 . . . 6845 1 176 . 1 1 15 15 CYS CA C 13 59.520 0.040 . 1 . . . . 12 . . . 6845 1 177 . 1 1 15 15 CYS HA H 1 4.760 0.010 . 1 . . . . 12 . . . 6845 1 178 . 1 1 15 15 CYS CB C 13 31.970 0.070 . 1 . . . . 12 . . . 6845 1 179 . 1 1 15 15 CYS HB2 H 1 3.080 0.000 . 2 . . . . 12 . . . 6845 1 180 . 1 1 15 15 CYS HB3 H 1 2.690 0.010 . 2 . . . . 12 . . . 6845 1 181 . 1 1 15 15 CYS C C 13 177.510 0.000 . 1 . . . . 12 . . . 6845 1 182 . 1 1 16 16 GLY N N 15 110.720 0.060 . 1 . . . . 13 . . . 6845 1 183 . 1 1 16 16 GLY H H 1 7.660 0.010 . 1 . . . . 13 . . . 6845 1 184 . 1 1 16 16 GLY CA C 13 46.170 0.060 . 1 . . . . 13 . . . 6845 1 185 . 1 1 16 16 GLY HA2 H 1 4.070 0.010 . 2 . . . . 13 . . . 6845 1 186 . 1 1 16 16 GLY HA3 H 1 3.610 0.010 . 2 . . . . 13 . . . 6845 1 187 . 1 1 17 17 LEU N N 15 122.100 0.000 . 1 . . . . 14 . . . 6845 1 188 . 1 1 17 17 LEU H H 1 7.840 0.010 . 1 . . . . 14 . . . 6845 1 189 . 1 1 17 17 LEU CA C 13 55.880 0.030 . 1 . . . . 14 . . . 6845 1 190 . 1 1 17 17 LEU HA H 1 4.210 0.010 . 1 . . . . 14 . . . 6845 1 191 . 1 1 17 17 LEU CB C 13 44.100 0.070 . 1 . . . . 14 . . . 6845 1 192 . 1 1 17 17 LEU HB2 H 1 1.750 0.010 . 1 . . . . 14 . . . 6845 1 193 . 1 1 17 17 LEU HB3 H 1 1.750 0.010 . 1 . . . . 14 . . . 6845 1 194 . 1 1 17 17 LEU CG C 13 26.810 0.140 . 1 . . . . 14 . . . 6845 1 195 . 1 1 17 17 LEU HG H 1 1.560 0.010 . 1 . . . . 14 . . . 6845 1 196 . 1 1 17 17 LEU HD11 H 1 0.980 0.000 . 1 . . . . 14 . . . 6845 1 197 . 1 1 17 17 LEU HD12 H 1 0.980 0.000 . 1 . . . . 14 . . . 6845 1 198 . 1 1 17 17 LEU HD13 H 1 0.980 0.000 . 1 . . . . 14 . . . 6845 1 199 . 1 1 17 17 LEU HD21 H 1 0.980 0.010 . 1 . . . . 14 . . . 6845 1 200 . 1 1 17 17 LEU HD22 H 1 0.980 0.010 . 1 . . . . 14 . . . 6845 1 201 . 1 1 17 17 LEU HD23 H 1 0.980 0.010 . 1 . . . . 14 . . . 6845 1 202 . 1 1 17 17 LEU CD1 C 13 23.980 0.160 . 1 . . . . 14 . . . 6845 1 203 . 1 1 17 17 LEU CD2 C 13 26.690 0.080 . 1 . . . . 14 . . . 6845 1 204 . 1 1 17 17 LEU C C 13 176.280 0.000 . 1 . . . . 14 . . . 6845 1 205 . 1 1 18 18 TYR N N 15 123.130 0.020 . 1 . . . . 15 . . . 6845 1 206 . 1 1 18 18 TYR H H 1 8.400 0.000 . 1 . . . . 15 . . . 6845 1 207 . 1 1 18 18 TYR CA C 13 57.500 0.050 . 1 . . . . 15 . . . 6845 1 208 . 1 1 18 18 TYR HA H 1 5.470 0.010 . 1 . . . . 15 . . . 6845 1 209 . 1 1 18 18 TYR CB C 13 38.830 0.040 . 1 . . . . 15 . . . 6845 1 210 . 1 1 18 18 TYR HB2 H 1 3.000 0.010 . 2 . . . . 15 . . . 6845 1 211 . 1 1 18 18 TYR HB3 H 1 2.890 0.010 . 2 . . . . 15 . . . 6845 1 212 . 1 1 18 18 TYR HD1 H 1 7.180 0.010 . 1 . . . . 15 . . . 6845 1 213 . 1 1 18 18 TYR HE1 H 1 6.760 0.000 . 1 . . . . 15 . . . 6845 1 214 . 1 1 18 18 TYR HE2 H 1 6.760 0.000 . 1 . . . . 15 . . . 6845 1 215 . 1 1 18 18 TYR HD2 H 1 7.180 0.010 . 1 . . . . 15 . . . 6845 1 216 . 1 1 18 18 TYR C C 13 175.960 0.000 . 1 . . . . 15 . . . 6845 1 217 . 1 1 19 19 THR N N 15 119.310 0.020 . 1 . . . . 16 . . . 6845 1 218 . 1 1 19 19 THR H H 1 9.040 0.010 . 1 . . . . 16 . . . 6845 1 219 . 1 1 19 19 THR CA C 13 59.820 0.070 . 1 . . . . 16 . . . 6845 1 220 . 1 1 19 19 THR HA H 1 4.660 0.010 . 1 . . . . 16 . . . 6845 1 221 . 1 1 19 19 THR CB C 13 68.660 0.070 . 1 . . . . 16 . . . 6845 1 222 . 1 1 19 19 THR HB H 1 4.140 0.010 . 1 . . . . 16 . . . 6845 1 223 . 1 1 19 19 THR HG21 H 1 1.080 0.010 . 1 . . . . 16 . . . 6845 1 224 . 1 1 19 19 THR HG22 H 1 1.080 0.010 . 1 . . . . 16 . . . 6845 1 225 . 1 1 19 19 THR HG23 H 1 1.080 0.010 . 1 . . . . 16 . . . 6845 1 226 . 1 1 19 19 THR HG1 H 1 6.220 0.010 . 1 . . . . 16 . . . 6845 1 227 . 1 1 19 19 THR CG2 C 13 19.210 0.090 . 1 . . . . 16 . . . 6845 1 228 . 1 1 19 19 THR C C 13 171.450 0.000 . 1 . . . . 16 . . . 6845 1 229 . 1 1 20 20 LEU N N 15 125.210 0.030 . 1 . . . . 17 . . . 6845 1 230 . 1 1 20 20 LEU H H 1 8.500 0.000 . 1 . . . . 17 . . . 6845 1 231 . 1 1 20 20 LEU CA C 13 55.710 0.100 . 1 . . . . 17 . . . 6845 1 232 . 1 1 20 20 LEU HA H 1 4.490 0.010 . 1 . . . . 17 . . . 6845 1 233 . 1 1 20 20 LEU CB C 13 42.790 0.070 . 1 . . . . 17 . . . 6845 1 234 . 1 1 20 20 LEU HB2 H 1 1.650 0.010 . 1 . . . . 17 . . . 6845 1 235 . 1 1 20 20 LEU HB3 H 1 1.650 0.010 . 1 . . . . 17 . . . 6845 1 236 . 1 1 20 20 LEU CG C 13 27.110 0.120 . 1 . . . . 17 . . . 6845 1 237 . 1 1 20 20 LEU HG H 1 1.750 0.010 . 1 . . . . 17 . . . 6845 1 238 . 1 1 20 20 LEU HD11 H 1 0.930 0.010 . 2 . . . . 17 . . . 6845 1 239 . 1 1 20 20 LEU HD12 H 1 0.930 0.010 . 2 . . . . 17 . . . 6845 1 240 . 1 1 20 20 LEU HD13 H 1 0.930 0.010 . 2 . . . . 17 . . . 6845 1 241 . 1 1 20 20 LEU HD21 H 1 0.840 0.000 . 2 . . . . 17 . . . 6845 1 242 . 1 1 20 20 LEU HD22 H 1 0.840 0.000 . 2 . . . . 17 . . . 6845 1 243 . 1 1 20 20 LEU HD23 H 1 0.840 0.000 . 2 . . . . 17 . . . 6845 1 244 . 1 1 20 20 LEU CD1 C 13 25.410 0.080 . 1 . . . . 17 . . . 6845 1 245 . 1 1 20 20 LEU CD2 C 13 23.230 0.130 . 1 . . . . 17 . . . 6845 1 246 . 1 1 20 20 LEU C C 13 179.020 0.000 . 1 . . . . 17 . . . 6845 1 247 . 1 1 21 21 LYS N N 15 119.810 0.060 . 1 . . . . 18 . . . 6845 1 248 . 1 1 21 21 LYS H H 1 8.530 0.010 . 1 . . . . 18 . . . 6845 1 249 . 1 1 21 21 LYS CA C 13 56.150 0.120 . 1 . . . . 18 . . . 6845 1 250 . 1 1 21 21 LYS HA H 1 4.170 0.010 . 1 . . . . 18 . . . 6845 1 251 . 1 1 21 21 LYS CB C 13 33.590 0.050 . 1 . . . . 18 . . . 6845 1 252 . 1 1 21 21 LYS HB2 H 1 1.920 0.010 . 2 . . . . 18 . . . 6845 1 253 . 1 1 21 21 LYS HB3 H 1 2.020 0.010 . 2 . . . . 18 . . . 6845 1 254 . 1 1 21 21 LYS CG C 13 25.340 0.080 . 1 . . . . 18 . . . 6845 1 255 . 1 1 21 21 LYS HG2 H 1 1.530 0.010 . 2 . . . . 18 . . . 6845 1 256 . 1 1 21 21 LYS HG3 H 1 1.470 0.010 . 2 . . . . 18 . . . 6845 1 257 . 1 1 21 21 LYS CD C 13 28.750 0.020 . 1 . . . . 18 . . . 6845 1 258 . 1 1 21 21 LYS HD2 H 1 1.690 0.010 . 1 . . . . 18 . . . 6845 1 259 . 1 1 21 21 LYS HD3 H 1 1.690 0.010 . 1 . . . . 18 . . . 6845 1 260 . 1 1 21 21 LYS CE C 13 42.210 0.020 . 1 . . . . 18 . . . 6845 1 261 . 1 1 21 21 LYS HE2 H 1 3.080 0.000 . 2 . . . . 18 . . . 6845 1 262 . 1 1 21 21 LYS HE3 H 1 3.050 0.010 . 2 . . . . 18 . . . 6845 1 263 . 1 1 21 21 LYS C C 13 176.220 0.000 . 1 . . . . 18 . . . 6845 1 264 . 1 1 22 22 GLU N N 15 117.360 0.070 . 1 . . . . 19 . . . 6845 1 265 . 1 1 22 22 GLU H H 1 8.560 0.000 . 1 . . . . 19 . . . 6845 1 266 . 1 1 22 22 GLU CA C 13 57.640 0.080 . 1 . . . . 19 . . . 6845 1 267 . 1 1 22 22 GLU HA H 1 3.960 0.010 . 1 . . . . 19 . . . 6845 1 268 . 1 1 22 22 GLU CB C 13 30.310 0.100 . 1 . . . . 19 . . . 6845 1 269 . 1 1 22 22 GLU HB2 H 1 2.120 0.010 . 2 . . . . 19 . . . 6845 1 270 . 1 1 22 22 GLU HB3 H 1 2.000 0.010 . 2 . . . . 19 . . . 6845 1 271 . 1 1 22 22 GLU CG C 13 36.350 0.110 . 1 . . . . 19 . . . 6845 1 272 . 1 1 22 22 GLU HG2 H 1 2.380 0.010 . 2 . . . . 19 . . . 6845 1 273 . 1 1 22 22 GLU HG3 H 1 2.310 0.010 . 2 . . . . 19 . . . 6845 1 274 . 1 1 22 22 GLU C C 13 176.140 0.000 . 1 . . . . 19 . . . 6845 1 275 . 1 1 23 23 ILE N N 15 117.530 0.010 . 1 . . . . 20 . . . 6845 1 276 . 1 1 23 23 ILE H H 1 7.180 0.000 . 1 . . . . 20 . . . 6845 1 277 . 1 1 23 23 ILE CA C 13 57.850 0.100 . 1 . . . . 20 . . . 6845 1 278 . 1 1 23 23 ILE HA H 1 4.470 0.010 . 1 . . . . 20 . . . 6845 1 279 . 1 1 23 23 ILE CB C 13 40.070 0.040 . 1 . . . . 20 . . . 6845 1 280 . 1 1 23 23 ILE HB H 1 1.610 0.010 . 1 . . . . 20 . . . 6845 1 281 . 1 1 23 23 ILE HG21 H 1 0.700 0.000 . 1 . . . . 20 . . . 6845 1 282 . 1 1 23 23 ILE HG22 H 1 0.700 0.000 . 1 . . . . 20 . . . 6845 1 283 . 1 1 23 23 ILE HG23 H 1 0.700 0.000 . 1 . . . . 20 . . . 6845 1 284 . 1 1 23 23 ILE CG2 C 13 17.060 0.080 . 1 . . . . 20 . . . 6845 1 285 . 1 1 23 23 ILE CG1 C 13 26.830 0.090 . 1 . . . . 20 . . . 6845 1 286 . 1 1 23 23 ILE HG12 H 1 1.070 0.010 . 2 . . . . 20 . . . 6845 1 287 . 1 1 23 23 ILE HG13 H 1 1.360 0.010 . 2 . . . . 20 . . . 6845 1 288 . 1 1 23 23 ILE HD11 H 1 0.770 0.010 . 1 . . . . 20 . . . 6845 1 289 . 1 1 23 23 ILE HD12 H 1 0.770 0.010 . 1 . . . . 20 . . . 6845 1 290 . 1 1 23 23 ILE HD13 H 1 0.770 0.010 . 1 . . . . 20 . . . 6845 1 291 . 1 1 23 23 ILE CD1 C 13 11.820 0.020 . 1 . . . . 20 . . . 6845 1 292 . 1 1 23 23 ILE C C 13 174.890 0.000 . 1 . . . . 20 . . . 6845 1 293 . 1 1 24 24 CYS N N 15 129.760 0.020 . 1 . . . . 21 . . . 6845 1 294 . 1 1 24 24 CYS H H 1 9.390 0.000 . 1 . . . . 21 . . . 6845 1 295 . 1 1 24 24 CYS CA C 13 57.890 0.060 . 1 . . . . 21 . . . 6845 1 296 . 1 1 24 24 CYS HA H 1 4.150 0.010 . 1 . . . . 21 . . . 6845 1 297 . 1 1 24 24 CYS CB C 13 31.810 0.070 . 1 . . . . 21 . . . 6845 1 298 . 1 1 24 24 CYS HB2 H 1 3.030 0.010 . 2 . . . . 21 . . . 6845 1 299 . 1 1 24 24 CYS HB3 H 1 2.870 0.010 . 2 . . . . 21 . . . 6845 1 300 . 1 1 25 25 PRO CD C 13 51.510 0.070 . 1 . . . . 22 . . . 6845 1 301 . 1 1 25 25 PRO CA C 13 64.050 0.020 . 1 . . . . 22 . . . 6845 1 302 . 1 1 25 25 PRO HA H 1 4.430 0.010 . 1 . . . . 22 . . . 6845 1 303 . 1 1 25 25 PRO CB C 13 32.450 0.070 . 1 . . . . 22 . . . 6845 1 304 . 1 1 25 25 PRO HB2 H 1 2.310 0.000 . 2 . . . . 22 . . . 6845 1 305 . 1 1 25 25 PRO HB3 H 1 2.060 0.010 . 2 . . . . 22 . . . 6845 1 306 . 1 1 25 25 PRO CG C 13 27.070 0.090 . 1 . . . . 22 . . . 6845 1 307 . 1 1 25 25 PRO HG2 H 1 2.080 0.010 . 2 . . . . 22 . . . 6845 1 308 . 1 1 25 25 PRO HG3 H 1 2.010 0.010 . 2 . . . . 22 . . . 6845 1 309 . 1 1 25 25 PRO HD2 H 1 4.160 0.010 . 2 . . . . 22 . . . 6845 1 310 . 1 1 25 25 PRO HD3 H 1 3.930 0.010 . 2 . . . . 22 . . . 6845 1 311 . 1 1 25 25 PRO C C 13 176.520 0.000 . 1 . . . . 22 . . . 6845 1 312 . 1 1 26 26 LYS N N 15 121.930 0.030 . 1 . . . . 23 . . . 6845 1 313 . 1 1 26 26 LYS H H 1 9.230 0.010 . 1 . . . . 23 . . . 6845 1 314 . 1 1 26 26 LYS CA C 13 58.020 0.050 . 1 . . . . 23 . . . 6845 1 315 . 1 1 26 26 LYS HA H 1 4.430 0.010 . 1 . . . . 23 . . . 6845 1 316 . 1 1 26 26 LYS CB C 13 33.760 0.100 . 1 . . . . 23 . . . 6845 1 317 . 1 1 26 26 LYS HB2 H 1 2.080 0.010 . 2 . . . . 23 . . . 6845 1 318 . 1 1 26 26 LYS HB3 H 1 1.900 0.010 . 2 . . . . 23 . . . 6845 1 319 . 1 1 26 26 LYS CG C 13 25.110 0.050 . 1 . . . . 23 . . . 6845 1 320 . 1 1 26 26 LYS HG2 H 1 1.430 0.010 . 2 . . . . 23 . . . 6845 1 321 . 1 1 26 26 LYS HG3 H 1 1.380 0.000 . 2 . . . . 23 . . . 6845 1 322 . 1 1 26 26 LYS CD C 13 29.050 0.020 . 1 . . . . 23 . . . 6845 1 323 . 1 1 26 26 LYS HD2 H 1 1.740 0.010 . 1 . . . . 23 . . . 6845 1 324 . 1 1 26 26 LYS HD3 H 1 1.740 0.010 . 1 . . . . 23 . . . 6845 1 325 . 1 1 26 26 LYS CE C 13 42.080 0.010 . 1 . . . . 23 . . . 6845 1 326 . 1 1 26 26 LYS HE2 H 1 3.000 0.010 . 1 . . . . 23 . . . 6845 1 327 . 1 1 26 26 LYS HE3 H 1 3.000 0.010 . 1 . . . . 23 . . . 6845 1 328 . 1 1 26 26 LYS C C 13 178.360 0.000 . 1 . . . . 23 . . . 6845 1 329 . 1 1 27 27 CYS N N 15 119.280 0.020 . 1 . . . . 24 . . . 6845 1 330 . 1 1 27 27 CYS H H 1 9.070 0.010 . 1 . . . . 24 . . . 6845 1 331 . 1 1 27 27 CYS CA C 13 59.800 0.070 . 1 . . . . 24 . . . 6845 1 332 . 1 1 27 27 CYS HA H 1 4.700 0.010 . 1 . . . . 24 . . . 6845 1 333 . 1 1 27 27 CYS CB C 13 33.100 0.070 . 1 . . . . 24 . . . 6845 1 334 . 1 1 27 27 CYS HB2 H 1 2.970 0.010 . 2 . . . . 24 . . . 6845 1 335 . 1 1 27 27 CYS HB3 H 1 2.760 0.000 . 2 . . . . 24 . . . 6845 1 336 . 1 1 27 27 CYS C C 13 177.720 0.000 . 1 . . . . 24 . . . 6845 1 337 . 1 1 28 28 GLY N N 15 109.190 0.020 . 1 . . . . 25 . . . 6845 1 338 . 1 1 28 28 GLY H H 1 8.170 0.010 . 1 . . . . 25 . . . 6845 1 339 . 1 1 28 28 GLY CA C 13 46.060 0.090 . 1 . . . . 25 . . . 6845 1 340 . 1 1 28 28 GLY HA2 H 1 4.130 0.010 . 2 . . . . 25 . . . 6845 1 341 . 1 1 28 28 GLY HA3 H 1 3.690 0.010 . 2 . . . . 25 . . . 6845 1 342 . 1 1 29 29 GLU N N 15 120.490 0.000 . 1 . . . . 26 . . . 6845 1 343 . 1 1 29 29 GLU H H 1 7.350 0.010 . 1 . . . . 26 . . . 6845 1 344 . 1 1 29 29 GLU CA C 13 55.310 0.070 . 1 . . . . 26 . . . 6845 1 345 . 1 1 29 29 GLU HA H 1 4.370 0.010 . 1 . . . . 26 . . . 6845 1 346 . 1 1 29 29 GLU CB C 13 31.350 0.110 . 1 . . . . 26 . . . 6845 1 347 . 1 1 29 29 GLU HB2 H 1 2.230 0.010 . 2 . . . . 26 . . . 6845 1 348 . 1 1 29 29 GLU HB3 H 1 2.050 0.010 . 2 . . . . 26 . . . 6845 1 349 . 1 1 29 29 GLU CG C 13 36.180 0.110 . 1 . . . . 26 . . . 6845 1 350 . 1 1 29 29 GLU HG2 H 1 2.230 0.010 . 2 . . . . 26 . . . 6845 1 351 . 1 1 29 29 GLU HG3 H 1 2.450 0.010 . 2 . . . . 26 . . . 6845 1 352 . 1 1 29 29 GLU C C 13 175.480 0.000 . 1 . . . . 26 . . . 6845 1 353 . 1 1 30 30 LYS N N 15 123.380 0.040 . 1 . . . . 27 . . . 6845 1 354 . 1 1 30 30 LYS H H 1 8.730 0.000 . 1 . . . . 27 . . . 6845 1 355 . 1 1 30 30 LYS CA C 13 57.280 0.050 . 1 . . . . 27 . . . 6845 1 356 . 1 1 30 30 LYS HA H 1 4.630 0.010 . 1 . . . . 27 . . . 6845 1 357 . 1 1 30 30 LYS CB C 13 32.250 0.080 . 1 . . . . 27 . . . 6845 1 358 . 1 1 30 30 LYS HB2 H 1 1.900 0.010 . 2 . . . . 27 . . . 6845 1 359 . 1 1 30 30 LYS HB3 H 1 1.810 0.010 . 2 . . . . 27 . . . 6845 1 360 . 1 1 30 30 LYS CG C 13 25.130 0.070 . 1 . . . . 27 . . . 6845 1 361 . 1 1 30 30 LYS HG2 H 1 1.660 0.010 . 2 . . . . 27 . . . 6845 1 362 . 1 1 30 30 LYS HG3 H 1 1.550 0.010 . 2 . . . . 27 . . . 6845 1 363 . 1 1 30 30 LYS CD C 13 29.110 0.070 . 1 . . . . 27 . . . 6845 1 364 . 1 1 30 30 LYS HD2 H 1 1.760 0.010 . 1 . . . . 27 . . . 6845 1 365 . 1 1 30 30 LYS HD3 H 1 1.760 0.010 . 1 . . . . 27 . . . 6845 1 366 . 1 1 30 30 LYS CE C 13 42.150 0.070 . 1 . . . . 27 . . . 6845 1 367 . 1 1 30 30 LYS HE2 H 1 3.060 0.010 . 1 . . . . 27 . . . 6845 1 368 . 1 1 30 30 LYS HE3 H 1 3.060 0.010 . 1 . . . . 27 . . . 6845 1 369 . 1 1 30 30 LYS C C 13 177.200 0.000 . 1 . . . . 27 . . . 6845 1 370 . 1 1 31 31 THR N N 15 115.070 0.010 . 1 . . . . 28 . . . 6845 1 371 . 1 1 31 31 THR H H 1 7.900 0.010 . 1 . . . . 28 . . . 6845 1 372 . 1 1 31 31 THR CA C 13 60.880 0.100 . 1 . . . . 28 . . . 6845 1 373 . 1 1 31 31 THR HA H 1 4.360 0.010 . 1 . . . . 28 . . . 6845 1 374 . 1 1 31 31 THR CB C 13 69.240 0.090 . 1 . . . . 28 . . . 6845 1 375 . 1 1 31 31 THR HB H 1 4.020 0.000 . 1 . . . . 28 . . . 6845 1 376 . 1 1 31 31 THR HG21 H 1 0.870 0.010 . 1 . . . . 28 . . . 6845 1 377 . 1 1 31 31 THR HG22 H 1 0.870 0.010 . 1 . . . . 28 . . . 6845 1 378 . 1 1 31 31 THR HG23 H 1 0.870 0.010 . 1 . . . . 28 . . . 6845 1 379 . 1 1 31 31 THR CG2 C 13 21.580 0.070 . 1 . . . . 28 . . . 6845 1 380 . 1 1 31 31 THR C C 13 175.170 0.000 . 1 . . . . 28 . . . 6845 1 381 . 1 1 32 32 VAL N N 15 112.910 0.020 . 1 . . . . 29 . . . 6845 1 382 . 1 1 32 32 VAL H H 1 8.790 0.010 . 1 . . . . 29 . . . 6845 1 383 . 1 1 32 32 VAL CA C 13 59.210 0.060 . 1 . . . . 29 . . . 6845 1 384 . 1 1 32 32 VAL HA H 1 4.770 0.010 . 1 . . . . 29 . . . 6845 1 385 . 1 1 32 32 VAL CB C 13 35.320 0.110 . 1 . . . . 29 . . . 6845 1 386 . 1 1 32 32 VAL HB H 1 2.180 0.000 . 1 . . . . 29 . . . 6845 1 387 . 1 1 32 32 VAL HG11 H 1 0.910 0.010 . 2 . . . . 29 . . . 6845 1 388 . 1 1 32 32 VAL HG12 H 1 0.910 0.010 . 2 . . . . 29 . . . 6845 1 389 . 1 1 32 32 VAL HG13 H 1 0.910 0.010 . 2 . . . . 29 . . . 6845 1 390 . 1 1 32 32 VAL HG21 H 1 0.780 0.010 . 2 . . . . 29 . . . 6845 1 391 . 1 1 32 32 VAL HG22 H 1 0.780 0.010 . 2 . . . . 29 . . . 6845 1 392 . 1 1 32 32 VAL HG23 H 1 0.780 0.010 . 2 . . . . 29 . . . 6845 1 393 . 1 1 32 32 VAL CG1 C 13 21.230 0.030 . 1 . . . . 29 . . . 6845 1 394 . 1 1 32 32 VAL CG2 C 13 18.630 0.090 . 1 . . . . 29 . . . 6845 1 395 . 1 1 32 32 VAL C C 13 175.370 0.000 . 1 . . . . 29 . . . 6845 1 396 . 1 1 33 33 ILE N N 15 123.330 0.040 . 1 . . . . 30 . . . 6845 1 397 . 1 1 33 33 ILE H H 1 8.500 0.010 . 1 . . . . 30 . . . 6845 1 398 . 1 1 33 33 ILE CA C 13 58.750 0.090 . 1 . . . . 30 . . . 6845 1 399 . 1 1 33 33 ILE HA H 1 4.480 0.010 . 1 . . . . 30 . . . 6845 1 400 . 1 1 33 33 ILE CB C 13 38.180 0.100 . 1 . . . . 30 . . . 6845 1 401 . 1 1 33 33 ILE HB H 1 1.870 0.000 . 1 . . . . 30 . . . 6845 1 402 . 1 1 33 33 ILE HG21 H 1 0.980 0.010 . 1 . . . . 30 . . . 6845 1 403 . 1 1 33 33 ILE HG22 H 1 0.980 0.010 . 1 . . . . 30 . . . 6845 1 404 . 1 1 33 33 ILE HG23 H 1 0.980 0.010 . 1 . . . . 30 . . . 6845 1 405 . 1 1 33 33 ILE CG2 C 13 17.020 0.070 . 1 . . . . 30 . . . 6845 1 406 . 1 1 33 33 ILE CG1 C 13 27.860 0.080 . 1 . . . . 30 . . . 6845 1 407 . 1 1 33 33 ILE HG12 H 1 1.640 0.010 . 2 . . . . 30 . . . 6845 1 408 . 1 1 33 33 ILE HG13 H 1 1.170 0.010 . 2 . . . . 30 . . . 6845 1 409 . 1 1 33 33 ILE HD11 H 1 0.890 0.010 . 1 . . . . 30 . . . 6845 1 410 . 1 1 33 33 ILE HD12 H 1 0.890 0.010 . 1 . . . . 30 . . . 6845 1 411 . 1 1 33 33 ILE HD13 H 1 0.890 0.010 . 1 . . . . 30 . . . 6845 1 412 . 1 1 33 33 ILE CD1 C 13 12.730 0.050 . 1 . . . . 30 . . . 6845 1 413 . 1 1 34 34 PRO CD C 13 51.390 0.070 . 1 . . . . 31 . . . 6845 1 414 . 1 1 34 34 PRO CA C 13 62.750 0.080 . 1 . . . . 31 . . . 6845 1 415 . 1 1 34 34 PRO HA H 1 4.420 0.010 . 1 . . . . 31 . . . 6845 1 416 . 1 1 34 34 PRO CB C 13 32.390 0.110 . 1 . . . . 31 . . . 6845 1 417 . 1 1 34 34 PRO HB2 H 1 2.200 0.010 . 2 . . . . 31 . . . 6845 1 418 . 1 1 34 34 PRO HB3 H 1 2.020 0.010 . 2 . . . . 31 . . . 6845 1 419 . 1 1 34 34 PRO CG C 13 27.640 0.040 . 1 . . . . 31 . . . 6845 1 420 . 1 1 34 34 PRO HG2 H 1 2.150 0.010 . 2 . . . . 31 . . . 6845 1 421 . 1 1 34 34 PRO HG3 H 1 1.830 0.010 . 2 . . . . 31 . . . 6845 1 422 . 1 1 34 34 PRO HD2 H 1 3.860 0.010 . 2 . . . . 31 . . . 6845 1 423 . 1 1 34 34 PRO HD3 H 1 4.200 0.010 . 2 . . . . 31 . . . 6845 1 424 . 1 1 34 34 PRO C C 13 176.220 0.000 . 1 . . . . 31 . . . 6845 1 425 . 1 1 35 35 LYS N N 15 122.500 0.060 . 1 . . . . 32 . . . 6845 1 426 . 1 1 35 35 LYS H H 1 8.330 0.010 . 1 . . . . 32 . . . 6845 1 427 . 1 1 35 35 LYS CA C 13 54.100 0.040 . 1 . . . . 32 . . . 6845 1 428 . 1 1 35 35 LYS HA H 1 4.590 0.010 . 1 . . . . 32 . . . 6845 1 429 . 1 1 35 35 LYS CB C 13 32.490 0.170 . 1 . . . . 32 . . . 6845 1 430 . 1 1 35 35 LYS HB2 H 1 1.790 0.010 . 2 . . . . 32 . . . 6845 1 431 . 1 1 35 35 LYS HB3 H 1 1.710 0.010 . 2 . . . . 32 . . . 6845 1 432 . 1 1 35 35 LYS CG C 13 24.780 0.080 . 1 . . . . 32 . . . 6845 1 433 . 1 1 35 35 LYS HG2 H 1 1.530 0.010 . 2 . . . . 32 . . . 6845 1 434 . 1 1 35 35 LYS HG3 H 1 1.480 0.010 . 2 . . . . 32 . . . 6845 1 435 . 1 1 35 35 LYS CD C 13 29.180 0.020 . 1 . . . . 32 . . . 6845 1 436 . 1 1 35 35 LYS HD2 H 1 1.690 0.010 . 1 . . . . 32 . . . 6845 1 437 . 1 1 35 35 LYS HD3 H 1 1.690 0.010 . 1 . . . . 32 . . . 6845 1 438 . 1 1 35 35 LYS CE C 13 42.090 0.010 . 1 . . . . 32 . . . 6845 1 439 . 1 1 35 35 LYS HE2 H 1 3.010 0.010 . 1 . . . . 32 . . . 6845 1 440 . 1 1 35 35 LYS HE3 H 1 3.010 0.010 . 1 . . . . 32 . . . 6845 1 441 . 1 1 36 36 PRO CD C 13 50.530 0.060 . 1 . . . . 33 . . . 6845 1 442 . 1 1 36 36 PRO CA C 13 61.390 0.060 . 1 . . . . 33 . . . 6845 1 443 . 1 1 36 36 PRO HA H 1 4.670 0.010 . 1 . . . . 33 . . . 6845 1 444 . 1 1 36 36 PRO CB C 13 30.880 0.050 . 1 . . . . 33 . . . 6845 1 445 . 1 1 36 36 PRO HB2 H 1 2.350 0.000 . 2 . . . . 33 . . . 6845 1 446 . 1 1 36 36 PRO HB3 H 1 1.880 0.010 . 2 . . . . 33 . . . 6845 1 447 . 1 1 36 36 PRO CG C 13 27.360 0.050 . 1 . . . . 33 . . . 6845 1 448 . 1 1 36 36 PRO HG2 H 1 2.030 0.010 . 1 . . . . 33 . . . 6845 1 449 . 1 1 36 36 PRO HG3 H 1 2.030 0.010 . 1 . . . . 33 . . . 6845 1 450 . 1 1 36 36 PRO HD2 H 1 3.850 0.010 . 2 . . . . 33 . . . 6845 1 451 . 1 1 36 36 PRO HD3 H 1 3.610 0.000 . 2 . . . . 33 . . . 6845 1 452 . 1 1 37 37 PRO CD C 13 50.450 0.190 . 1 . . . . 34 . . . 6845 1 453 . 1 1 37 37 PRO CA C 13 62.740 0.080 . 1 . . . . 34 . . . 6845 1 454 . 1 1 37 37 PRO HA H 1 4.390 0.010 . 1 . . . . 34 . . . 6845 1 455 . 1 1 37 37 PRO CB C 13 32.140 0.100 . 1 . . . . 34 . . . 6845 1 456 . 1 1 37 37 PRO HB2 H 1 2.230 0.000 . 2 . . . . 34 . . . 6845 1 457 . 1 1 37 37 PRO HB3 H 1 1.770 0.010 . 2 . . . . 34 . . . 6845 1 458 . 1 1 37 37 PRO CG C 13 27.260 0.130 . 1 . . . . 34 . . . 6845 1 459 . 1 1 37 37 PRO HG2 H 1 1.980 0.010 . 1 . . . . 34 . . . 6845 1 460 . 1 1 37 37 PRO HG3 H 1 1.980 0.010 . 1 . . . . 34 . . . 6845 1 461 . 1 1 37 37 PRO HD2 H 1 3.790 0.000 . 2 . . . . 34 . . . 6845 1 462 . 1 1 37 37 PRO HD3 H 1 3.610 0.000 . 2 . . . . 34 . . . 6845 1 463 . 1 1 37 37 PRO C C 13 176.760 0.000 . 1 . . . . 34 . . . 6845 1 464 . 1 1 38 38 LYS N N 15 120.520 0.060 . 1 . . . . 35 . . . 6845 1 465 . 1 1 38 38 LYS H H 1 8.290 0.010 . 1 . . . . 35 . . . 6845 1 466 . 1 1 38 38 LYS CA C 13 56.580 0.040 . 1 . . . . 35 . . . 6845 1 467 . 1 1 38 38 LYS HA H 1 4.170 0.010 . 1 . . . . 35 . . . 6845 1 468 . 1 1 38 38 LYS CB C 13 33.100 0.040 . 1 . . . . 35 . . . 6845 1 469 . 1 1 38 38 LYS HB2 H 1 1.670 0.010 . 1 . . . . 35 . . . 6845 1 470 . 1 1 38 38 LYS HB3 H 1 1.670 0.010 . 1 . . . . 35 . . . 6845 1 471 . 1 1 38 38 LYS CG C 13 24.940 0.010 . 1 . . . . 35 . . . 6845 1 472 . 1 1 38 38 LYS HG2 H 1 1.330 0.010 . 2 . . . . 35 . . . 6845 1 473 . 1 1 38 38 LYS HG3 H 1 1.240 0.010 . 2 . . . . 35 . . . 6845 1 474 . 1 1 38 38 LYS CD C 13 29.430 0.030 . 1 . . . . 35 . . . 6845 1 475 . 1 1 38 38 LYS HD2 H 1 1.590 0.000 . 1 . . . . 35 . . . 6845 1 476 . 1 1 38 38 LYS HD3 H 1 1.590 0.000 . 1 . . . . 35 . . . 6845 1 477 . 1 1 38 38 LYS CE C 13 42.020 0.020 . 1 . . . . 35 . . . 6845 1 478 . 1 1 38 38 LYS HE2 H 1 2.940 0.010 . 1 . . . . 35 . . . 6845 1 479 . 1 1 38 38 LYS HE3 H 1 2.940 0.010 . 1 . . . . 35 . . . 6845 1 480 . 1 1 38 38 LYS C C 13 176.980 0.000 . 1 . . . . 35 . . . 6845 1 481 . 1 1 39 39 PHE N N 15 120.110 0.070 . 1 . . . . 36 . . . 6845 1 482 . 1 1 39 39 PHE H H 1 8.160 0.010 . 1 . . . . 36 . . . 6845 1 483 . 1 1 39 39 PHE CA C 13 57.410 0.030 . 1 . . . . 36 . . . 6845 1 484 . 1 1 39 39 PHE HA H 1 4.660 0.010 . 1 . . . . 36 . . . 6845 1 485 . 1 1 39 39 PHE CB C 13 39.770 0.040 . 1 . . . . 36 . . . 6845 1 486 . 1 1 39 39 PHE HB2 H 1 3.130 0.010 . 2 . . . . 36 . . . 6845 1 487 . 1 1 39 39 PHE HB3 H 1 3.030 0.010 . 2 . . . . 36 . . . 6845 1 488 . 1 1 39 39 PHE HD1 H 1 7.230 0.010 . 1 . . . . 36 . . . 6845 1 489 . 1 1 39 39 PHE HE1 H 1 7.320 0.000 . 1 . . . . 36 . . . 6845 1 490 . 1 1 39 39 PHE HE2 H 1 7.320 0.000 . 1 . . . . 36 . . . 6845 1 491 . 1 1 39 39 PHE HD2 H 1 7.230 0.010 . 1 . . . . 36 . . . 6845 1 492 . 1 1 39 39 PHE C C 13 175.540 0.000 . 1 . . . . 36 . . . 6845 1 493 . 1 1 40 40 SER N N 15 117.130 0.020 . 1 . . . . 37 . . . 6845 1 494 . 1 1 40 40 SER H H 1 8.260 0.010 . 1 . . . . 37 . . . 6845 1 495 . 1 1 40 40 SER CA C 13 57.840 0.090 . 1 . . . . 37 . . . 6845 1 496 . 1 1 40 40 SER HA H 1 4.430 0.000 . 1 . . . . 37 . . . 6845 1 497 . 1 1 40 40 SER CB C 13 64.130 0.060 . 1 . . . . 37 . . . 6845 1 498 . 1 1 40 40 SER HB2 H 1 3.870 0.010 . 2 . . . . 37 . . . 6845 1 499 . 1 1 40 40 SER HB3 H 1 3.790 0.000 . 2 . . . . 37 . . . 6845 1 500 . 1 1 40 40 SER C C 13 174.470 0.000 . 1 . . . . 37 . . . 6845 1 501 . 1 1 41 41 LEU N N 15 123.890 0.030 . 1 . . . . 38 . . . 6845 1 502 . 1 1 41 41 LEU H H 1 8.340 0.000 . 1 . . . . 38 . . . 6845 1 503 . 1 1 41 41 LEU CA C 13 55.810 0.020 . 1 . . . . 38 . . . 6845 1 504 . 1 1 41 41 LEU HA H 1 4.260 0.000 . 1 . . . . 38 . . . 6845 1 505 . 1 1 41 41 LEU CB C 13 42.220 0.040 . 1 . . . . 38 . . . 6845 1 506 . 1 1 41 41 LEU HB2 H 1 1.640 0.010 . 2 . . . . 38 . . . 6845 1 507 . 1 1 41 41 LEU HB3 H 1 1.600 0.020 . 2 . . . . 38 . . . 6845 1 508 . 1 1 41 41 LEU CG C 13 27.070 0.040 . 1 . . . . 38 . . . 6845 1 509 . 1 1 41 41 LEU HG H 1 1.650 0.000 . 1 . . . . 38 . . . 6845 1 510 . 1 1 41 41 LEU HD11 H 1 0.940 0.010 . 2 . . . . 38 . . . 6845 1 511 . 1 1 41 41 LEU HD12 H 1 0.940 0.010 . 2 . . . . 38 . . . 6845 1 512 . 1 1 41 41 LEU HD13 H 1 0.940 0.010 . 2 . . . . 38 . . . 6845 1 513 . 1 1 41 41 LEU HD21 H 1 0.890 0.010 . 2 . . . . 38 . . . 6845 1 514 . 1 1 41 41 LEU HD22 H 1 0.890 0.010 . 2 . . . . 38 . . . 6845 1 515 . 1 1 41 41 LEU HD23 H 1 0.890 0.010 . 2 . . . . 38 . . . 6845 1 516 . 1 1 41 41 LEU CD1 C 13 25.050 0.030 . 1 . . . . 38 . . . 6845 1 517 . 1 1 41 41 LEU CD2 C 13 23.570 0.070 . 1 . . . . 38 . . . 6845 1 518 . 1 1 41 41 LEU C C 13 177.650 0.000 . 1 . . . . 38 . . . 6845 1 519 . 1 1 42 42 GLU N N 15 119.730 0.020 . 1 . . . . 39 . . . 6845 1 520 . 1 1 42 42 GLU H H 1 8.300 0.010 . 1 . . . . 39 . . . 6845 1 521 . 1 1 42 42 GLU CA C 13 57.100 0.080 . 1 . . . . 39 . . . 6845 1 522 . 1 1 42 42 GLU HA H 1 4.160 0.010 . 1 . . . . 39 . . . 6845 1 523 . 1 1 42 42 GLU CB C 13 30.160 0.010 . 1 . . . . 39 . . . 6845 1 524 . 1 1 42 42 GLU HB2 H 1 1.990 0.010 . 2 . . . . 39 . . . 6845 1 525 . 1 1 42 42 GLU HB3 H 1 1.920 0.010 . 2 . . . . 39 . . . 6845 1 526 . 1 1 42 42 GLU CG C 13 36.210 0.070 . 1 . . . . 39 . . . 6845 1 527 . 1 1 42 42 GLU HG2 H 1 2.230 0.010 . 1 . . . . 39 . . . 6845 1 528 . 1 1 42 42 GLU HG3 H 1 2.230 0.010 . 1 . . . . 39 . . . 6845 1 529 . 1 1 42 42 GLU C C 13 176.660 0.000 . 1 . . . . 39 . . . 6845 1 530 . 1 1 43 43 ASP N N 15 120.810 0.080 . 1 . . . . 40 . . . 6845 1 531 . 1 1 43 43 ASP H H 1 8.230 0.010 . 1 . . . . 40 . . . 6845 1 532 . 1 1 43 43 ASP CA C 13 54.470 0.330 . 1 . . . . 40 . . . 6845 1 533 . 1 1 43 43 ASP HA H 1 4.590 0.000 . 1 . . . . 40 . . . 6845 1 534 . 1 1 43 43 ASP CB C 13 41.120 0.040 . 1 . . . . 40 . . . 6845 1 535 . 1 1 43 43 ASP HB2 H 1 2.700 0.000 . 1 . . . . 40 . . . 6845 1 536 . 1 1 43 43 ASP HB3 H 1 2.700 0.000 . 1 . . . . 40 . . . 6845 1 537 . 1 1 43 43 ASP C C 13 177.020 0.000 . 1 . . . . 40 . . . 6845 1 538 . 1 1 44 44 ARG N N 15 120.470 0.060 . 1 . . . . 41 . . . 6845 1 539 . 1 1 44 44 ARG H H 1 8.130 0.000 . 1 . . . . 41 . . . 6845 1 540 . 1 1 44 44 ARG CA C 13 57.600 0.090 . 1 . . . . 41 . . . 6845 1 541 . 1 1 44 44 ARG HA H 1 4.060 0.010 . 1 . . . . 41 . . . 6845 1 542 . 1 1 44 44 ARG CB C 13 30.190 0.030 . 1 . . . . 41 . . . 6845 1 543 . 1 1 44 44 ARG HB2 H 1 1.540 0.010 . 2 . . . . 41 . . . 6845 1 544 . 1 1 44 44 ARG HB3 H 1 1.500 0.010 . 2 . . . . 41 . . . 6845 1 545 . 1 1 44 44 ARG CG C 13 26.490 0.010 . 1 . . . . 41 . . . 6845 1 546 . 1 1 44 44 ARG HG2 H 1 1.200 0.010 . 2 . . . . 41 . . . 6845 1 547 . 1 1 44 44 ARG HG3 H 1 1.160 0.010 . 2 . . . . 41 . . . 6845 1 548 . 1 1 44 44 ARG CD C 13 43.260 0.020 . 1 . . . . 41 . . . 6845 1 549 . 1 1 44 44 ARG HD2 H 1 2.920 0.010 . 1 . . . . 41 . . . 6845 1 550 . 1 1 44 44 ARG HD3 H 1 2.920 0.010 . 1 . . . . 41 . . . 6845 1 551 . 1 1 44 44 ARG NE N 15 111.950 0.020 . 1 . . . . 41 . . . 6845 1 552 . 1 1 44 44 ARG HE H 1 6.970 0.010 . 1 . . . . 41 . . . 6845 1 553 . 1 1 45 45 TRP N N 15 118.990 0.050 . 1 . . . . 42 . . . 6845 1 554 . 1 1 45 45 TRP H H 1 8.130 0.000 . 1 . . . . 42 . . . 6845 1 555 . 1 1 45 45 TRP CA C 13 57.550 0.030 . 1 . . . . 42 . . . 6845 1 556 . 1 1 45 45 TRP HA H 1 4.760 0.010 . 1 . . . . 42 . . . 6845 1 557 . 1 1 45 45 TRP CB C 13 29.510 0.050 . 1 . . . . 42 . . . 6845 1 558 . 1 1 45 45 TRP HB2 H 1 3.430 0.000 . 2 . . . . 42 . . . 6845 1 559 . 1 1 45 45 TRP HB3 H 1 3.240 0.000 . 2 . . . . 42 . . . 6845 1 560 . 1 1 45 45 TRP NE1 N 15 128.300 0.000 . 1 . . . . 42 . . . 6845 1 561 . 1 1 45 45 TRP HD1 H 1 7.280 0.000 . 1 . . . . 42 . . . 6845 1 562 . 1 1 45 45 TRP HE3 H 1 7.620 0.010 . 1 . . . . 42 . . . 6845 1 563 . 1 1 45 45 TRP HE1 H 1 10.130 0.000 . 1 . . . . 42 . . . 6845 1 564 . 1 1 45 45 TRP HZ3 H 1 7.050 0.040 . 1 . . . . 42 . . . 6845 1 565 . 1 1 45 45 TRP HZ2 H 1 7.480 0.040 . 1 . . . . 42 . . . 6845 1 566 . 1 1 45 45 TRP HH2 H 1 7.200 0.000 . 1 . . . . 42 . . . 6845 1 567 . 1 1 45 45 TRP C C 13 177.390 0.000 . 1 . . . . 42 . . . 6845 1 568 . 1 1 46 46 GLY N N 15 108.710 0.040 . 1 . . . . 43 . . . 6845 1 569 . 1 1 46 46 GLY H H 1 8.210 0.010 . 1 . . . . 43 . . . 6845 1 570 . 1 1 46 46 GLY CA C 13 46.360 0.080 . 1 . . . . 43 . . . 6845 1 571 . 1 1 46 46 GLY HA2 H 1 3.970 0.010 . 2 . . . . 43 . . . 6845 1 572 . 1 1 46 46 GLY HA3 H 1 3.870 0.010 . 2 . . . . 43 . . . 6845 1 573 . 1 1 46 46 GLY C C 13 175.210 0.000 . 1 . . . . 43 . . . 6845 1 574 . 1 1 47 47 LYS N N 15 120.610 0.120 . 1 . . . . 44 . . . 6845 1 575 . 1 1 47 47 LYS H H 1 8.210 0.010 . 1 . . . . 44 . . . 6845 1 576 . 1 1 47 47 LYS CA C 13 57.920 0.040 . 1 . . . . 44 . . . 6845 1 577 . 1 1 47 47 LYS HA H 1 4.080 0.010 . 1 . . . . 44 . . . 6845 1 578 . 1 1 47 47 LYS CB C 13 32.660 0.030 . 1 . . . . 44 . . . 6845 1 579 . 1 1 47 47 LYS HB2 H 1 1.670 0.010 . 1 . . . . 44 . . . 6845 1 580 . 1 1 47 47 LYS HB3 H 1 1.670 0.010 . 1 . . . . 44 . . . 6845 1 581 . 1 1 47 47 LYS CG C 13 24.770 0.070 . 1 . . . . 44 . . . 6845 1 582 . 1 1 47 47 LYS HG2 H 1 1.250 0.010 . 2 . . . . 44 . . . 6845 1 583 . 1 1 47 47 LYS HG3 H 1 1.190 0.010 . 2 . . . . 44 . . . 6845 1 584 . 1 1 47 47 LYS CD C 13 29.320 0.080 . 1 . . . . 44 . . . 6845 1 585 . 1 1 47 47 LYS HD2 H 1 1.590 0.000 . 1 . . . . 44 . . . 6845 1 586 . 1 1 47 47 LYS HD3 H 1 1.590 0.000 . 1 . . . . 44 . . . 6845 1 587 . 1 1 47 47 LYS CE C 13 42.100 0.050 . 1 . . . . 44 . . . 6845 1 588 . 1 1 47 47 LYS HE2 H 1 2.910 0.010 . 1 . . . . 44 . . . 6845 1 589 . 1 1 47 47 LYS HE3 H 1 2.910 0.010 . 1 . . . . 44 . . . 6845 1 590 . 1 1 47 47 LYS C C 13 177.370 0.000 . 1 . . . . 44 . . . 6845 1 591 . 1 1 48 48 TYR N N 15 118.970 0.040 . 1 . . . . 45 . . . 6845 1 592 . 1 1 48 48 TYR H H 1 8.130 0.000 . 1 . . . . 45 . . . 6845 1 593 . 1 1 48 48 TYR CA C 13 58.690 0.110 . 1 . . . . 45 . . . 6845 1 594 . 1 1 48 48 TYR HA H 1 4.500 0.010 . 1 . . . . 45 . . . 6845 1 595 . 1 1 48 48 TYR CB C 13 38.260 0.090 . 1 . . . . 45 . . . 6845 1 596 . 1 1 48 48 TYR HB2 H 1 3.150 0.000 . 2 . . . . 45 . . . 6845 1 597 . 1 1 48 48 TYR HB3 H 1 2.990 0.010 . 2 . . . . 45 . . . 6845 1 598 . 1 1 48 48 TYR HD1 H 1 7.120 0.010 . 1 . . . . 45 . . . 6845 1 599 . 1 1 48 48 TYR HE1 H 1 6.820 0.010 . 1 . . . . 45 . . . 6845 1 600 . 1 1 48 48 TYR HE2 H 1 6.820 0.010 . 1 . . . . 45 . . . 6845 1 601 . 1 1 48 48 TYR HD2 H 1 7.120 0.010 . 1 . . . . 45 . . . 6845 1 602 . 1 1 48 48 TYR C C 13 176.510 0.000 . 1 . . . . 45 . . . 6845 1 603 . 1 1 49 49 ARG N N 15 120.140 0.010 . 1 . . . . 46 . . . 6845 1 604 . 1 1 49 49 ARG H H 1 8.050 0.010 . 1 . . . . 46 . . . 6845 1 605 . 1 1 49 49 ARG CA C 13 57.260 0.060 . 1 . . . . 46 . . . 6845 1 606 . 1 1 49 49 ARG HA H 1 4.100 0.010 . 1 . . . . 46 . . . 6845 1 607 . 1 1 49 49 ARG CB C 13 30.460 0.030 . 1 . . . . 46 . . . 6845 1 608 . 1 1 49 49 ARG HB2 H 1 1.790 0.010 . 1 . . . . 46 . . . 6845 1 609 . 1 1 49 49 ARG HB3 H 1 1.790 0.010 . 1 . . . . 46 . . . 6845 1 610 . 1 1 49 49 ARG CG C 13 27.330 0.100 . 1 . . . . 46 . . . 6845 1 611 . 1 1 49 49 ARG HG2 H 1 1.610 0.010 . 2 . . . . 46 . . . 6845 1 612 . 1 1 49 49 ARG HG3 H 1 1.550 0.010 . 2 . . . . 46 . . . 6845 1 613 . 1 1 49 49 ARG CD C 13 43.310 0.110 . 1 . . . . 46 . . . 6845 1 614 . 1 1 49 49 ARG HD2 H 1 3.130 0.010 . 1 . . . . 46 . . . 6845 1 615 . 1 1 49 49 ARG HD3 H 1 3.130 0.010 . 1 . . . . 46 . . . 6845 1 616 . 1 1 49 49 ARG NE N 15 111.930 0.080 . 1 . . . . 46 . . . 6845 1 617 . 1 1 49 49 ARG HE H 1 7.210 0.010 . 1 . . . . 46 . . . 6845 1 618 . 1 1 49 49 ARG C C 13 177.020 0.000 . 1 . . . . 46 . . . 6845 1 619 . 1 1 50 50 ARG N N 15 120.010 0.020 . 1 . . . . 47 . . . 6845 1 620 . 1 1 50 50 ARG H H 1 8.120 0.010 . 1 . . . . 47 . . . 6845 1 621 . 1 1 50 50 ARG CA C 13 57.410 0.010 . 1 . . . . 47 . . . 6845 1 622 . 1 1 50 50 ARG HA H 1 4.190 0.010 . 1 . . . . 47 . . . 6845 1 623 . 1 1 50 50 ARG CB C 13 30.600 0.040 . 1 . . . . 47 . . . 6845 1 624 . 1 1 50 50 ARG HB2 H 1 1.830 0.010 . 2 . . . . 47 . . . 6845 1 625 . 1 1 50 50 ARG HB3 H 1 1.790 0.010 . 2 . . . . 47 . . . 6845 1 626 . 1 1 50 50 ARG CG C 13 27.400 0.110 . 1 . . . . 47 . . . 6845 1 627 . 1 1 50 50 ARG HG2 H 1 1.680 0.010 . 1 . . . . 47 . . . 6845 1 628 . 1 1 50 50 ARG HG3 H 1 1.680 0.010 . 1 . . . . 47 . . . 6845 1 629 . 1 1 50 50 ARG CD C 13 43.410 0.020 . 1 . . . . 47 . . . 6845 1 630 . 1 1 50 50 ARG HD2 H 1 3.190 0.000 . 1 . . . . 47 . . . 6845 1 631 . 1 1 50 50 ARG HD3 H 1 3.190 0.000 . 1 . . . . 47 . . . 6845 1 632 . 1 1 50 50 ARG NE N 15 112.020 0.000 . 1 . . . . 47 . . . 6845 1 633 . 1 1 50 50 ARG HE H 1 7.210 0.000 . 1 . . . . 47 . . . 6845 1 634 . 1 1 50 50 ARG C C 13 176.360 0.000 . 1 . . . . 47 . . . 6845 1 635 . 1 1 51 51 MET N N 15 120.120 0.070 . 1 . . . . 48 . . . 6845 1 636 . 1 1 51 51 MET H H 1 8.160 0.010 . 1 . . . . 48 . . . 6845 1 637 . 1 1 51 51 MET CA C 13 56.090 0.030 . 1 . . . . 48 . . . 6845 1 638 . 1 1 51 51 MET HA H 1 4.360 0.010 . 1 . . . . 48 . . . 6845 1 639 . 1 1 51 51 MET CB C 13 32.680 0.090 . 1 . . . . 48 . . . 6845 1 640 . 1 1 51 51 MET HB2 H 1 2.090 0.010 . 2 . . . . 48 . . . 6845 1 641 . 1 1 51 51 MET HB3 H 1 2.020 0.010 . 2 . . . . 48 . . . 6845 1 642 . 1 1 51 51 MET CG C 13 32.250 0.050 . 1 . . . . 48 . . . 6845 1 643 . 1 1 51 51 MET HG2 H 1 2.620 0.020 . 2 . . . . 48 . . . 6845 1 644 . 1 1 51 51 MET HG3 H 1 2.530 0.010 . 2 . . . . 48 . . . 6845 1 645 . 1 1 51 51 MET HE1 H 1 2.090 0.010 . 1 . . . . 48 . . . 6845 1 646 . 1 1 51 51 MET HE2 H 1 2.090 0.010 . 1 . . . . 48 . . . 6845 1 647 . 1 1 51 51 MET HE3 H 1 2.090 0.010 . 1 . . . . 48 . . . 6845 1 648 . 1 1 51 51 MET CE C 13 17.100 0.020 . 1 . . . . 48 . . . 6845 1 649 . 1 1 51 51 MET C C 13 176.740 0.000 . 1 . . . . 48 . . . 6845 1 650 . 1 1 52 52 LEU N N 15 122.420 0.020 . 1 . . . . 49 . . . 6845 1 651 . 1 1 52 52 LEU H H 1 8.070 0.010 . 1 . . . . 49 . . . 6845 1 652 . 1 1 52 52 LEU CA C 13 55.790 0.060 . 1 . . . . 49 . . . 6845 1 653 . 1 1 52 52 LEU HA H 1 4.240 0.010 . 1 . . . . 49 . . . 6845 1 654 . 1 1 52 52 LEU CB C 13 42.350 0.050 . 1 . . . . 49 . . . 6845 1 655 . 1 1 52 52 LEU HB2 H 1 1.620 0.010 . 2 . . . . 49 . . . 6845 1 656 . 1 1 52 52 LEU HB3 H 1 1.540 0.010 . 2 . . . . 49 . . . 6845 1 657 . 1 1 52 52 LEU CG C 13 26.890 0.010 . 1 . . . . 49 . . . 6845 1 658 . 1 1 52 52 LEU HG H 1 1.570 0.010 . 1 . . . . 49 . . . 6845 1 659 . 1 1 52 52 LEU HD11 H 1 0.870 0.010 . 2 . . . . 49 . . . 6845 1 660 . 1 1 52 52 LEU HD12 H 1 0.870 0.010 . 2 . . . . 49 . . . 6845 1 661 . 1 1 52 52 LEU HD13 H 1 0.870 0.010 . 2 . . . . 49 . . . 6845 1 662 . 1 1 52 52 LEU HD21 H 1 0.830 0.010 . 2 . . . . 49 . . . 6845 1 663 . 1 1 52 52 LEU HD22 H 1 0.830 0.010 . 2 . . . . 49 . . . 6845 1 664 . 1 1 52 52 LEU HD23 H 1 0.830 0.010 . 2 . . . . 49 . . . 6845 1 665 . 1 1 52 52 LEU CD1 C 13 24.880 0.090 . 1 . . . . 49 . . . 6845 1 666 . 1 1 52 52 LEU CD2 C 13 23.420 0.110 . 1 . . . . 49 . . . 6845 1 667 . 1 1 52 52 LEU C C 13 177.810 0.000 . 1 . . . . 49 . . . 6845 1 668 . 1 1 53 53 LYS N N 15 120.890 0.180 . 1 . . . . 50 . . . 6845 1 669 . 1 1 53 53 LYS H H 1 8.120 0.000 . 1 . . . . 50 . . . 6845 1 670 . 1 1 53 53 LYS CA C 13 56.750 0.010 . 1 . . . . 50 . . . 6845 1 671 . 1 1 53 53 LYS HA H 1 4.280 0.010 . 1 . . . . 50 . . . 6845 1 672 . 1 1 53 53 LYS CB C 13 32.950 0.050 . 1 . . . . 50 . . . 6845 1 673 . 1 1 53 53 LYS HB2 H 1 1.840 0.010 . 2 . . . . 50 . . . 6845 1 674 . 1 1 53 53 LYS HB3 H 1 1.770 0.010 . 2 . . . . 50 . . . 6845 1 675 . 1 1 53 53 LYS CG C 13 24.740 0.020 . 1 . . . . 50 . . . 6845 1 676 . 1 1 53 53 LYS HG2 H 1 1.430 0.010 . 1 . . . . 50 . . . 6845 1 677 . 1 1 53 53 LYS HG3 H 1 1.430 0.010 . 1 . . . . 50 . . . 6845 1 678 . 1 1 53 53 LYS CD C 13 29.350 0.040 . 1 . . . . 50 . . . 6845 1 679 . 1 1 53 53 LYS HD2 H 1 1.690 0.000 . 1 . . . . 50 . . . 6845 1 680 . 1 1 53 53 LYS HD3 H 1 1.690 0.000 . 1 . . . . 50 . . . 6845 1 681 . 1 1 53 53 LYS CE C 13 41.970 0.010 . 1 . . . . 50 . . . 6845 1 682 . 1 1 53 53 LYS HE2 H 1 3.000 0.000 . 1 . . . . 50 . . . 6845 1 683 . 1 1 53 53 LYS HE3 H 1 3.000 0.000 . 1 . . . . 50 . . . 6845 1 684 . 1 1 53 53 LYS C C 13 176.980 0.000 . 1 . . . . 50 . . . 6845 1 685 . 1 1 54 54 ARG N N 15 121.030 0.050 . 1 . . . . 51 . . . 6845 1 686 . 1 1 54 54 ARG H H 1 8.140 0.010 . 1 . . . . 51 . . . 6845 1 687 . 1 1 54 54 ARG CA C 13 56.540 0.010 . 1 . . . . 51 . . . 6845 1 688 . 1 1 54 54 ARG HA H 1 4.260 0.010 . 1 . . . . 51 . . . 6845 1 689 . 1 1 54 54 ARG CB C 13 30.880 0.030 . 1 . . . . 51 . . . 6845 1 690 . 1 1 54 54 ARG HB2 H 1 1.840 0.010 . 2 . . . . 51 . . . 6845 1 691 . 1 1 54 54 ARG HB3 H 1 1.780 0.010 . 2 . . . . 51 . . . 6845 1 692 . 1 1 54 54 ARG CG C 13 27.420 0.130 . 1 . . . . 51 . . . 6845 1 693 . 1 1 54 54 ARG HG2 H 1 1.680 0.010 . 1 . . . . 51 . . . 6845 1 694 . 1 1 54 54 ARG HG3 H 1 1.680 0.010 . 1 . . . . 51 . . . 6845 1 695 . 1 1 54 54 ARG CD C 13 43.410 0.110 . 1 . . . . 51 . . . 6845 1 696 . 1 1 54 54 ARG HD2 H 1 3.190 0.010 . 1 . . . . 51 . . . 6845 1 697 . 1 1 54 54 ARG HD3 H 1 3.190 0.010 . 1 . . . . 51 . . . 6845 1 698 . 1 1 54 54 ARG C C 13 176.210 0.000 . 1 . . . . 51 . . . 6845 1 699 . 1 1 55 55 ALA N N 15 124.190 0.030 . 1 . . . . 52 . . . 6845 1 700 . 1 1 55 55 ALA H H 1 8.220 0.010 . 1 . . . . 52 . . . 6845 1 701 . 1 1 55 55 ALA CA C 13 52.530 0.080 . 1 . . . . 52 . . . 6845 1 702 . 1 1 55 55 ALA HA H 1 4.300 0.010 . 1 . . . . 52 . . . 6845 1 703 . 1 1 55 55 ALA HB1 H 1 1.390 0.010 . 1 . . . . 52 . . . 6845 1 704 . 1 1 55 55 ALA HB2 H 1 1.390 0.010 . 1 . . . . 52 . . . 6845 1 705 . 1 1 55 55 ALA HB3 H 1 1.390 0.010 . 1 . . . . 52 . . . 6845 1 706 . 1 1 55 55 ALA CB C 13 19.310 0.170 . 1 . . . . 52 . . . 6845 1 707 . 1 1 55 55 ALA C C 13 177.690 0.000 . 1 . . . . 52 . . . 6845 1 708 . 1 1 56 56 LEU N N 15 120.800 0.120 . 1 . . . . 53 . . . 6845 1 709 . 1 1 56 56 LEU H H 1 8.130 0.000 . 1 . . . . 53 . . . 6845 1 710 . 1 1 56 56 LEU CA C 13 55.330 0.030 . 1 . . . . 53 . . . 6845 1 711 . 1 1 56 56 LEU HA H 1 4.300 0.010 . 1 . . . . 53 . . . 6845 1 712 . 1 1 56 56 LEU CB C 13 42.420 0.050 . 1 . . . . 53 . . . 6845 1 713 . 1 1 56 56 LEU HB2 H 1 1.650 0.010 . 2 . . . . 53 . . . 6845 1 714 . 1 1 56 56 LEU HB3 H 1 1.590 0.010 . 2 . . . . 53 . . . 6845 1 715 . 1 1 56 56 LEU CG C 13 27.270 0.070 . 1 . . . . 53 . . . 6845 1 716 . 1 1 56 56 LEU HG H 1 1.670 0.000 . 1 . . . . 53 . . . 6845 1 717 . 1 1 56 56 LEU HD11 H 1 0.930 0.010 . 2 . . . . 53 . . . 6845 1 718 . 1 1 56 56 LEU HD12 H 1 0.930 0.010 . 2 . . . . 53 . . . 6845 1 719 . 1 1 56 56 LEU HD13 H 1 0.930 0.010 . 2 . . . . 53 . . . 6845 1 720 . 1 1 56 56 LEU HD21 H 1 0.880 0.010 . 2 . . . . 53 . . . 6845 1 721 . 1 1 56 56 LEU HD22 H 1 0.880 0.010 . 2 . . . . 53 . . . 6845 1 722 . 1 1 56 56 LEU HD23 H 1 0.880 0.010 . 2 . . . . 53 . . . 6845 1 723 . 1 1 56 56 LEU CD1 C 13 25.210 0.040 . 1 . . . . 53 . . . 6845 1 724 . 1 1 56 56 LEU CD2 C 13 23.380 0.010 . 1 . . . . 53 . . . 6845 1 725 . 1 1 56 56 LEU C C 13 177.620 0.000 . 1 . . . . 53 . . . 6845 1 726 . 1 1 57 57 LYS N N 15 120.890 0.110 . 1 . . . . 54 . . . 6845 1 727 . 1 1 57 57 LYS H H 1 8.210 0.010 . 1 . . . . 54 . . . 6845 1 728 . 1 1 57 57 LYS CA C 13 56.520 0.010 . 1 . . . . 54 . . . 6845 1 729 . 1 1 57 57 LYS HA H 1 4.280 0.010 . 1 . . . . 54 . . . 6845 1 730 . 1 1 57 57 LYS CB C 13 32.930 0.050 . 1 . . . . 54 . . . 6845 1 731 . 1 1 57 57 LYS HB2 H 1 1.830 0.010 . 2 . . . . 54 . . . 6845 1 732 . 1 1 57 57 LYS HB3 H 1 1.760 0.010 . 2 . . . . 54 . . . 6845 1 733 . 1 1 57 57 LYS CG C 13 24.930 0.040 . 1 . . . . 54 . . . 6845 1 734 . 1 1 57 57 LYS HG2 H 1 1.420 0.010 . 1 . . . . 54 . . . 6845 1 735 . 1 1 57 57 LYS HG3 H 1 1.420 0.010 . 1 . . . . 54 . . . 6845 1 736 . 1 1 57 57 LYS CD C 13 28.950 0.020 . 1 . . . . 54 . . . 6845 1 737 . 1 1 57 57 LYS HD2 H 1 1.690 0.000 . 1 . . . . 54 . . . 6845 1 738 . 1 1 57 57 LYS HD3 H 1 1.690 0.000 . 1 . . . . 54 . . . 6845 1 739 . 1 1 57 57 LYS CE C 13 42.220 0.020 . 1 . . . . 54 . . . 6845 1 740 . 1 1 57 57 LYS HE2 H 1 3.000 0.000 . 1 . . . . 54 . . . 6845 1 741 . 1 1 57 57 LYS HE3 H 1 3.000 0.000 . 1 . . . . 54 . . . 6845 1 742 . 1 1 57 57 LYS C C 13 176.410 0.000 . 1 . . . . 54 . . . 6845 1 743 . 1 1 58 58 ASN N N 15 119.090 0.080 . 1 . . . . 55 . . . 6845 1 744 . 1 1 58 58 ASN H H 1 8.350 0.010 . 1 . . . . 55 . . . 6845 1 745 . 1 1 58 58 ASN CA C 13 53.200 0.040 . 1 . . . . 55 . . . 6845 1 746 . 1 1 58 58 ASN HA H 1 4.670 0.010 . 1 . . . . 55 . . . 6845 1 747 . 1 1 58 58 ASN CB C 13 38.960 0.020 . 1 . . . . 55 . . . 6845 1 748 . 1 1 58 58 ASN HB2 H 1 2.840 0.010 . 2 . . . . 55 . . . 6845 1 749 . 1 1 58 58 ASN HB3 H 1 2.770 0.010 . 2 . . . . 55 . . . 6845 1 750 . 1 1 58 58 ASN ND2 N 15 112.380 0.020 . 1 . . . . 55 . . . 6845 1 751 . 1 1 58 58 ASN HD21 H 1 7.610 0.010 . 2 . . . . 55 . . . 6845 1 752 . 1 1 58 58 ASN HD22 H 1 6.940 0.000 . 2 . . . . 55 . . . 6845 1 753 . 1 1 58 58 ASN C C 13 175.280 0.000 . 1 . . . . 55 . . . 6845 1 754 . 1 1 59 59 LYS N N 15 121.200 0.040 . 1 . . . . 56 . . . 6845 1 755 . 1 1 59 59 LYS H H 1 8.310 0.010 . 1 . . . . 56 . . . 6845 1 756 . 1 1 59 59 LYS CA C 13 56.640 0.070 . 1 . . . . 56 . . . 6845 1 757 . 1 1 59 59 LYS HA H 1 4.260 0.000 . 1 . . . . 56 . . . 6845 1 758 . 1 1 59 59 LYS CB C 13 32.850 0.080 . 1 . . . . 56 . . . 6845 1 759 . 1 1 59 59 LYS HB2 H 1 1.840 0.010 . 2 . . . . 56 . . . 6845 1 760 . 1 1 59 59 LYS HB3 H 1 1.770 0.010 . 2 . . . . 56 . . . 6845 1 761 . 1 1 59 59 LYS CG C 13 24.930 0.020 . 1 . . . . 56 . . . 6845 1 762 . 1 1 59 59 LYS HG2 H 1 1.430 0.010 . 1 . . . . 56 . . . 6845 1 763 . 1 1 59 59 LYS HG3 H 1 1.430 0.010 . 1 . . . . 56 . . . 6845 1 764 . 1 1 59 59 LYS CD C 13 29.070 0.110 . 1 . . . . 56 . . . 6845 1 765 . 1 1 59 59 LYS HD2 H 1 1.690 0.000 . 1 . . . . 56 . . . 6845 1 766 . 1 1 59 59 LYS HD3 H 1 1.690 0.000 . 1 . . . . 56 . . . 6845 1 767 . 1 1 59 59 LYS CE C 13 42.280 0.010 . 1 . . . . 56 . . . 6845 1 768 . 1 1 59 59 LYS HE2 H 1 3.000 0.010 . 1 . . . . 56 . . . 6845 1 769 . 1 1 59 59 LYS HE3 H 1 3.000 0.010 . 1 . . . . 56 . . . 6845 1 770 . 1 1 59 59 LYS C C 13 176.370 0.000 . 1 . . . . 56 . . . 6845 1 771 . 1 1 60 60 ASN N N 15 118.830 0.060 . 1 . . . . 57 . . . 6845 1 772 . 1 1 60 60 ASN H H 1 8.430 0.010 . 1 . . . . 57 . . . 6845 1 773 . 1 1 60 60 ASN CA C 13 53.350 0.050 . 1 . . . . 57 . . . 6845 1 774 . 1 1 60 60 ASN HA H 1 4.660 0.010 . 1 . . . . 57 . . . 6845 1 775 . 1 1 60 60 ASN CB C 13 38.940 0.030 . 1 . . . . 57 . . . 6845 1 776 . 1 1 60 60 ASN HB2 H 1 2.850 0.010 . 2 . . . . 57 . . . 6845 1 777 . 1 1 60 60 ASN HB3 H 1 2.760 0.010 . 2 . . . . 57 . . . 6845 1 778 . 1 1 60 60 ASN ND2 N 15 112.400 0.040 . 1 . . . . 57 . . . 6845 1 779 . 1 1 60 60 ASN HD21 H 1 7.620 0.010 . 2 . . . . 57 . . . 6845 1 780 . 1 1 60 60 ASN HD22 H 1 6.940 0.010 . 2 . . . . 57 . . . 6845 1 781 . 1 1 60 60 ASN C C 13 174.980 0.000 . 1 . . . . 57 . . . 6845 1 782 . 1 1 61 61 LYS N N 15 120.950 0.060 . 1 . . . . 58 . . . 6845 1 783 . 1 1 61 61 LYS H H 1 8.160 0.010 . 1 . . . . 58 . . . 6845 1 784 . 1 1 61 61 LYS CA C 13 56.370 0.110 . 1 . . . . 58 . . . 6845 1 785 . 1 1 61 61 LYS HA H 1 4.270 0.010 . 1 . . . . 58 . . . 6845 1 786 . 1 1 61 61 LYS CB C 13 33.200 0.050 . 1 . . . . 58 . . . 6845 1 787 . 1 1 61 61 LYS HB2 H 1 1.840 0.000 . 2 . . . . 58 . . . 6845 1 788 . 1 1 61 61 LYS HB3 H 1 1.770 0.000 . 2 . . . . 58 . . . 6845 1 789 . 1 1 61 61 LYS CG C 13 24.790 0.130 . 1 . . . . 58 . . . 6845 1 790 . 1 1 61 61 LYS HG2 H 1 1.420 0.010 . 1 . . . . 58 . . . 6845 1 791 . 1 1 61 61 LYS HG3 H 1 1.420 0.010 . 1 . . . . 58 . . . 6845 1 792 . 1 1 61 61 LYS CD C 13 28.980 0.010 . 1 . . . . 58 . . . 6845 1 793 . 1 1 61 61 LYS HD2 H 1 1.690 0.010 . 1 . . . . 58 . . . 6845 1 794 . 1 1 61 61 LYS HD3 H 1 1.690 0.010 . 1 . . . . 58 . . . 6845 1 795 . 1 1 61 61 LYS CE C 13 42.010 0.040 . 1 . . . . 58 . . . 6845 1 796 . 1 1 61 61 LYS HE2 H 1 3.000 0.010 . 1 . . . . 58 . . . 6845 1 797 . 1 1 61 61 LYS HE3 H 1 3.000 0.010 . 1 . . . . 58 . . . 6845 1 798 . 1 1 61 61 LYS C C 13 175.820 0.000 . 1 . . . . 58 . . . 6845 1 799 . 1 1 62 62 ALA N N 15 125.540 0.010 . 1 . . . . 59 . . . 6845 1 800 . 1 1 62 62 ALA H H 1 8.350 0.000 . 1 . . . . 59 . . . 6845 1 801 . 1 1 62 62 ALA CA C 13 52.490 0.110 . 1 . . . . 59 . . . 6845 1 802 . 1 1 62 62 ALA HA H 1 4.340 0.010 . 1 . . . . 59 . . . 6845 1 803 . 1 1 62 62 ALA HB1 H 1 1.390 0.010 . 1 . . . . 59 . . . 6845 1 804 . 1 1 62 62 ALA HB2 H 1 1.390 0.010 . 1 . . . . 59 . . . 6845 1 805 . 1 1 62 62 ALA HB3 H 1 1.390 0.010 . 1 . . . . 59 . . . 6845 1 806 . 1 1 62 62 ALA CB C 13 19.280 0.110 . 1 . . . . 59 . . . 6845 1 807 . 1 1 62 62 ALA C C 13 176.650 0.000 . 1 . . . . 59 . . . 6845 1 808 . 1 1 63 63 GLU N N 15 124.550 0.010 . 1 . . . . 60 . . . 6845 1 809 . 1 1 63 63 GLU H H 1 7.890 0.010 . 1 . . . . 60 . . . 6845 1 810 . 1 1 63 63 GLU CA C 13 57.770 0.000 . 1 . . . . 60 . . . 6845 1 811 . 1 1 63 63 GLU HA H 1 4.130 0.010 . 1 . . . . 60 . . . 6845 1 812 . 1 1 63 63 GLU CB C 13 31.140 0.060 . 1 . . . . 60 . . . 6845 1 813 . 1 1 63 63 GLU HB2 H 1 2.060 0.000 . 2 . . . . 60 . . . 6845 1 814 . 1 1 63 63 GLU HB3 H 1 1.890 0.010 . 2 . . . . 60 . . . 6845 1 815 . 1 1 63 63 GLU CG C 13 36.230 0.010 . 1 . . . . 60 . . . 6845 1 816 . 1 1 63 63 GLU HG2 H 1 2.220 0.000 . 1 . . . . 60 . . . 6845 1 817 . 1 1 63 63 GLU HG3 H 1 2.220 0.000 . 1 . . . . 60 . . . 6845 1 stop_ save_