data_16408 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16408 _Entry.Title ; Cu(I)-bound CopK ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-07-15 _Entry.Accession_date 2009-07-15 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details 'CopK protein bound to a single Cu(I)' _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 Beate Bersch . . . 16408 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'not applicable' 'not applicable' . 16408 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'heavy metal resistance' . 16408 'periplasmic copper binding protein' . 16408 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16408 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 278 16408 '15N chemical shifts' 73 16408 '1H chemical shifts' 496 16408 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2010-05-20 2009-07-15 update BMRB 'complete entry citation' 16408 1 . . 2010-03-12 2009-07-15 original author 'original release' 16408 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2K0Q 'apo-CopK protein, solution structure' 16408 PDB 2KM0 'BMRB Entry Tracking System' 16408 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16408 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20192263 _Citation.Full_citation . _Citation.Title 'CopK from Cupriavidus metallidurans CH34 binds Cu(I) in a tetrathioether site: characterization by X-ray absorption and NMR spectroscopy.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Am. Chem. Soc.' _Citation.Journal_name_full 'Journal of the American Chemical Society' _Citation.Journal_volume 132 _Citation.Journal_issue 11 _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 3770 _Citation.Page_last 3777 _Citation.Year 2010 _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 Geraldine Sarret . . . 16408 1 2 Adrien Favier . . . 16408 1 3 Jacques Coves . . . 16408 1 4 Jean-Louis Hazemann . . . 16408 1 5 Max Mergeay . . . 16408 1 6 Beate Bersch . . . 16408 1 stop_ save_ save_citation_2 _Citation.Sf_category citations _Citation.Sf_framecode citation_2 _Citation.Entry_ID 16408 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1016/j.jmb.2008.05.017 _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Molecular structure and metal-binding properties of the periplasmic CopK protein expressed in Cupriavidus metallidurans CH34 during copper challenge' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 380 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 386 _Citation.Page_last 403 _Citation.Year 2008 _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 Beate Bersch . . . 16408 2 2 Adrien Favier . . . 16408 2 3 Paul Schanda . . . 16408 2 4 Sebastien 'van Aelst' . . . 16408 2 5 Tatiana Vallaeys . . . 16408 2 6 Jacques Coves . . . 16408 2 7 Max Mergeay . . . 16408 2 8 Ruddy Wattiez . . . 16408 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16408 _Assembly.ID 1 _Assembly.Name 'periplasmic CopK protein complex' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A . yes native no no . . . 16408 1 2 CU1 2 $CU1 B . no native no no . . . 16408 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 16408 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'periplasmic CopK protein' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; VDMSNVVKTYDLQDGSKVHV FKDGKMGMENKFGKSMNMPE GKVMETRDGTKIIMKGNEIF RLDEALRKGHSEGG ; _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 no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 74 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'mature protein' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8294.617 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 BMRB 15655 . CopK . . . . . 100.00 74 100.00 100.00 3.73e-44 . . . . 16408 1 2 no BMRB 17716 . Cu(I)Cu(II)-CopK . . . . . 100.00 74 100.00 100.00 3.73e-44 . . . . 16408 1 3 no PDB 2K0Q . "Solution Structure Of Copk, A Periplasmic Protein Involved In Copper Resistance In Cupriavidus Metallidurans Ch34" . . . . . 100.00 74 100.00 100.00 3.73e-44 . . . . 16408 1 4 no PDB 2KM0 . "Cu(I)-Bound Copk" . . . . . 100.00 74 100.00 100.00 3.73e-44 . . . . 16408 1 5 no PDB 2LEL . "Structure Of Cu(I)cu(Ii)-Copk From Cupriavidus Metallidurans Ch34" . . . . . 100.00 74 100.00 100.00 3.73e-44 . . . . 16408 1 6 no PDB 3DSO . "Crystal Structure Of Cu(I) Bound Copper Resistance Protein Copk" . . . . . 100.00 74 100.00 100.00 3.73e-44 . . . . 16408 1 7 no PDB 3DSP . "Crystal Structure Of Apo Copper Resistance Protein Copk" . . . . . 100.00 74 100.00 100.00 3.73e-44 . . . . 16408 1 8 no PDB 3N7D . "Crystal Structure Of Copk Bound To Cu(I) And Cu(Ii)" . . . . . 100.00 74 100.00 100.00 3.73e-44 . . . . 16408 1 9 no PDB 3N7E . "Crystal Structure Of Copk Bound To Cu(Ii)" . . . . . 100.00 74 100.00 100.00 3.73e-44 . . . . 16408 1 10 no EMBL CAI11334 . "hypothetical protein [Cupriavidus metallidurans CH34]" . . . . . 100.00 94 100.00 100.00 5.84e-45 . . . . 16408 1 11 no GB ABF12967 . "CopK Cu(I) binding protein [Cupriavidus metallidurans CH34]" . . . . . 100.00 94 100.00 100.00 5.84e-45 . . . . 16408 1 12 no GB EKZ95342 . "hypothetical protein D769_30839 [Cupriavidus sp. HMR-1]" . . . . . 100.00 94 100.00 100.00 5.84e-45 . . . . 16408 1 13 no REF WP_008652571 . "MULTISPECIES: copper resistance protein K [Cupriavidus]" . . . . . 100.00 94 100.00 100.00 5.84e-45 . . . . 16408 1 14 no REF YP_145685 . "hypothetical protein pMOL30_153 [Cupriavidus metallidurans CH34]" . . . . . 100.00 94 100.00 100.00 5.84e-45 . . . . 16408 1 15 no SP Q58AD3 . "RecName: Full=Copper resistance protein K; Flags: Precursor" . . . . . 100.00 94 100.00 100.00 5.84e-45 . . . . 16408 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'copper-binding protein' 16408 1 'copper resistance' 16408 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 . VAL . 16408 1 2 . ASP . 16408 1 3 . MET . 16408 1 4 . SER . 16408 1 5 . ASN . 16408 1 6 . VAL . 16408 1 7 . VAL . 16408 1 8 . LYS . 16408 1 9 . THR . 16408 1 10 . TYR . 16408 1 11 . ASP . 16408 1 12 . LEU . 16408 1 13 . GLN . 16408 1 14 . ASP . 16408 1 15 . GLY . 16408 1 16 . SER . 16408 1 17 . LYS . 16408 1 18 . VAL . 16408 1 19 . HIS . 16408 1 20 . VAL . 16408 1 21 . PHE . 16408 1 22 . LYS . 16408 1 23 . ASP . 16408 1 24 . GLY . 16408 1 25 . LYS . 16408 1 26 . MET . 16408 1 27 . GLY . 16408 1 28 . MET . 16408 1 29 . GLU . 16408 1 30 . ASN . 16408 1 31 . LYS . 16408 1 32 . PHE . 16408 1 33 . GLY . 16408 1 34 . LYS . 16408 1 35 . SER . 16408 1 36 . MET . 16408 1 37 . ASN . 16408 1 38 . MET . 16408 1 39 . PRO . 16408 1 40 . GLU . 16408 1 41 . GLY . 16408 1 42 . LYS . 16408 1 43 . VAL . 16408 1 44 . MET . 16408 1 45 . GLU . 16408 1 46 . THR . 16408 1 47 . ARG . 16408 1 48 . ASP . 16408 1 49 . GLY . 16408 1 50 . THR . 16408 1 51 . LYS . 16408 1 52 . ILE . 16408 1 53 . ILE . 16408 1 54 . MET . 16408 1 55 . LYS . 16408 1 56 . GLY . 16408 1 57 . ASN . 16408 1 58 . GLU . 16408 1 59 . ILE . 16408 1 60 . PHE . 16408 1 61 . ARG . 16408 1 62 . LEU . 16408 1 63 . ASP . 16408 1 64 . GLU . 16408 1 65 . ALA . 16408 1 66 . LEU . 16408 1 67 . ARG . 16408 1 68 . LYS . 16408 1 69 . GLY . 16408 1 70 . HIS . 16408 1 71 . SER . 16408 1 72 . GLU . 16408 1 73 . GLY . 16408 1 74 . GLY . 16408 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 . VAL 1 1 16408 1 . ASP 2 2 16408 1 . MET 3 3 16408 1 . SER 4 4 16408 1 . ASN 5 5 16408 1 . VAL 6 6 16408 1 . VAL 7 7 16408 1 . LYS 8 8 16408 1 . THR 9 9 16408 1 . TYR 10 10 16408 1 . ASP 11 11 16408 1 . LEU 12 12 16408 1 . GLN 13 13 16408 1 . ASP 14 14 16408 1 . GLY 15 15 16408 1 . SER 16 16 16408 1 . LYS 17 17 16408 1 . VAL 18 18 16408 1 . HIS 19 19 16408 1 . VAL 20 20 16408 1 . PHE 21 21 16408 1 . LYS 22 22 16408 1 . ASP 23 23 16408 1 . GLY 24 24 16408 1 . LYS 25 25 16408 1 . MET 26 26 16408 1 . GLY 27 27 16408 1 . MET 28 28 16408 1 . GLU 29 29 16408 1 . ASN 30 30 16408 1 . LYS 31 31 16408 1 . PHE 32 32 16408 1 . GLY 33 33 16408 1 . LYS 34 34 16408 1 . SER 35 35 16408 1 . MET 36 36 16408 1 . ASN 37 37 16408 1 . MET 38 38 16408 1 . PRO 39 39 16408 1 . GLU 40 40 16408 1 . GLY 41 41 16408 1 . LYS 42 42 16408 1 . VAL 43 43 16408 1 . MET 44 44 16408 1 . GLU 45 45 16408 1 . THR 46 46 16408 1 . ARG 47 47 16408 1 . ASP 48 48 16408 1 . GLY 49 49 16408 1 . THR 50 50 16408 1 . LYS 51 51 16408 1 . ILE 52 52 16408 1 . ILE 53 53 16408 1 . MET 54 54 16408 1 . LYS 55 55 16408 1 . GLY 56 56 16408 1 . ASN 57 57 16408 1 . GLU 58 58 16408 1 . ILE 59 59 16408 1 . PHE 60 60 16408 1 . ARG 61 61 16408 1 . LEU 62 62 16408 1 . ASP 63 63 16408 1 . GLU 64 64 16408 1 . ALA 65 65 16408 1 . LEU 66 66 16408 1 . ARG 67 67 16408 1 . LYS 68 68 16408 1 . GLY 69 69 16408 1 . HIS 70 70 16408 1 . SER 71 71 16408 1 . GLU 72 72 16408 1 . GLY 73 73 16408 1 . GLY 74 74 16408 1 stop_ save_ save_CU1 _Entity.Sf_category entity _Entity.Sf_framecode CU1 _Entity.Entry_ID 16408 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name CU1 _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 CU1 _Entity.Nonpolymer_comp_label $chem_comp_CU1 _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _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 . CU1 . 16408 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 16408 _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 $entity_1 . . organism . 'Cupriavidus metallidurans' . . . . . Cupriavidus metallidurans CH34 . . . . . . . . . . . . . . . . . . . . 16408 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 16408 _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 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET30 . . . . . . 16408 1 2 2 $CU1 . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 16408 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CU1 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CU1 _Chem_comp.Entry_ID 16408 _Chem_comp.ID CU1 _Chem_comp.Provenance . _Chem_comp.Name 'COPPER (I) ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code CU1 _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CU1 _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 1 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Cu _Chem_comp.Formula_weight 63.546 _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 Tue Jun 9 13:36:26 2009 ; _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 [Cu+] SMILES ACDLabs 10.04 16408 CU1 [Cu+] SMILES CACTVS 3.341 16408 CU1 [Cu+] SMILES 'OpenEye OEToolkits' 1.5.0 16408 CU1 [Cu+] SMILES_CANONICAL CACTVS 3.341 16408 CU1 [Cu+] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 16408 CU1 InChI=1/Cu/q+1 InChI InChI 1.02b 16408 CU1 VMQMZMRVKUZKQL-UHFFFAOYAL InChIKey InChI 1.02b 16408 CU1 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 copper(1+) 'SYSTEMATIC NAME' ACDLabs 10.04 16408 CU1 'copper(+1) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 16408 CU1 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 CU . CU . . CU . . N 1 . . . . . . . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 . . 16408 CU1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16408 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'periplasmic CopK protein' '[U-100% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 16408 1 2 CU1 'natural abundance' . . 2 $CU1 . . 0.95 . . mM . . . . 16408 1 3 'ammonium acetate' 'natural abundance' . . . . . . 50 . . mM . . . . 16408 1 4 'sodium ascorbate' 'natural abundance' . . . . . . 10 . . mM . . . . 16408 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16408 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'periplasmic CopK protein' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 1.6 . . mM . . . . 16408 2 2 CU1 'natural abundance' . . 2 $CU1 . . 1.5 . . mM . . . . 16408 2 3 'ammonium acetate' 'natural abundance' . . . . . . 50 . . mM . . . . 16408 2 4 'sodium ascorbate' 'natural abundance' . . . . . . 16 . . mM . . . . 16408 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 16408 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'periplasmic CopK protein' 'natural abundance' . . 1 $entity_1 . . 1.5 . . mM . . . . 16408 3 2 CU1 'natural abundance' . . 2 $CU1 . . 1.4 . . mM . . . . 16408 3 3 'ammonium acetate' 'natural abundance' . . . . . . 50 . . mM . . . . 16408 3 4 'sodium ascorbate' 'natural abundance' . . . . . . 14 . . mM . . . . 16408 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16408 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.8 . pH 16408 1 pressure 1.0 . atm 16408 1 temperature 298 . K 16408 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16408 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16408 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16408 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 16408 _Software.ID 2 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 16408 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16408 2 stop_ save_ save_AtnosCandid _Software.Sf_category software _Software.Sf_framecode AtnosCandid _Software.Entry_ID 16408 _Software.ID 3 _Software.Name ATHNOS-CANDID _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Torsten Herrmann' . . 16408 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 16408 3 'structure solution' 16408 3 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 16408 _Software.ID 4 _Software.Name ARIA _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 16408 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16408 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16408 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model DirectDrive _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16408 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model DirectDrive _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16408 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian DirectDrive . 600 . . . 16408 1 2 spectrometer_2 Varian DirectDrive . 800 . . . 16408 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 16408 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16408 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16408 1 3 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16408 1 4 '2D 1H-1H NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16408 1 5 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16408 1 6 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16408 1 7 '3D HN(COCA)CB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16408 1 8 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16408 1 9 '3D C(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16408 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16408 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16408 _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 TMS 'methyl carbon' . . . . ppm 0 na indirect 0.25144953 . . . . . . . . . 16408 1 H 1 water protons . . . . ppm 4.77 internal direct 1 . . . . . . . . . 16408 1 N 15 'ammonium chloride' nitrogen . . . . ppm 0 na direct 1.0 . . . . . . . . . 16408 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16408 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16408 1 6 '3D HNCACB' . . . 16408 1 10 '3D HCCH-TOCSY' . . . 16408 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $NMRView . . 16408 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 VAL HA H 1 3.73 0.02 . 1 . . . . 1 VAL HA . 16408 1 2 . 1 1 1 1 VAL HB H 1 2.04 0.02 . 1 . . . . 1 VAL HB . 16408 1 3 . 1 1 1 1 VAL HG11 H 1 0.81 0.02 . 2 . . . . 1 VAL HG11 . 16408 1 4 . 1 1 1 1 VAL HG12 H 1 0.81 0.02 . 2 . . . . 1 VAL HG11 . 16408 1 5 . 1 1 1 1 VAL HG13 H 1 0.81 0.02 . 2 . . . . 1 VAL HG11 . 16408 1 6 . 1 1 1 1 VAL HG21 H 1 0.81 0.02 . 2 . . . . 1 VAL HG21 . 16408 1 7 . 1 1 1 1 VAL HG22 H 1 0.81 0.02 . 2 . . . . 1 VAL HG21 . 16408 1 8 . 1 1 1 1 VAL HG23 H 1 0.81 0.02 . 2 . . . . 1 VAL HG21 . 16408 1 9 . 1 1 1 1 VAL C C 13 177.46 0.15 . 1 . . . . 1 VAL C . 16408 1 10 . 1 1 1 1 VAL CA C 13 60.98 0.15 . 1 . . . . 1 VAL CA . 16408 1 11 . 1 1 1 1 VAL CB C 13 32.66 0.15 . 1 . . . . 1 VAL CB . 16408 1 12 . 1 1 1 1 VAL CG1 C 13 20.04 0.15 . 1 . . . . 1 VAL CG1 . 16408 1 13 . 1 1 1 1 VAL CG2 C 13 20.48 0.15 . 1 . . . . 1 VAL CG2 . 16408 1 14 . 1 1 2 2 ASP HA H 1 4.65 0.02 . 1 . . . . 2 ASP HA . 16408 1 15 . 1 1 2 2 ASP HB2 H 1 2.61 0.02 . 2 . . . . 2 ASP HB2 . 16408 1 16 . 1 1 2 2 ASP HB3 H 1 2.84 0.02 . 2 . . . . 2 ASP HB3 . 16408 1 17 . 1 1 2 2 ASP C C 13 176.40 0.15 . 1 . . . . 2 ASP C . 16408 1 18 . 1 1 2 2 ASP CA C 13 53.83 0.15 . 1 . . . . 2 ASP CA . 16408 1 19 . 1 1 2 2 ASP CB C 13 40.90 0.15 . 1 . . . . 2 ASP CB . 16408 1 20 . 1 1 3 3 MET H H 1 8.66 0.02 . 1 . . . . 3 MET HN . 16408 1 21 . 1 1 3 3 MET HA H 1 4.48 0.02 . 1 . . . . 3 MET HA . 16408 1 22 . 1 1 3 3 MET HB2 H 1 1.91 0.02 . 2 . . . . 3 MET HB2 . 16408 1 23 . 1 1 3 3 MET HB3 H 1 2.12 0.02 . 2 . . . . 3 MET HB3 . 16408 1 24 . 1 1 3 3 MET HE1 H 1 1.80 0.02 . 1 . . . . 3 MET HE1 . 16408 1 25 . 1 1 3 3 MET HE2 H 1 1.80 0.02 . 1 . . . . 3 MET HE1 . 16408 1 26 . 1 1 3 3 MET HE3 H 1 1.80 0.02 . 1 . . . . 3 MET HE1 . 16408 1 27 . 1 1 3 3 MET HG2 H 1 2.42 0.02 . 2 . . . . 3 MET HG2 . 16408 1 28 . 1 1 3 3 MET HG3 H 1 2.62 0.02 . 2 . . . . 3 MET HG3 . 16408 1 29 . 1 1 3 3 MET C C 13 178.16 0.15 . 1 . . . . 3 MET C . 16408 1 30 . 1 1 3 3 MET CA C 13 55.00 0.15 . 1 . . . . 3 MET CA . 16408 1 31 . 1 1 3 3 MET CB C 13 31.11 0.15 . 1 . . . . 3 MET CB . 16408 1 32 . 1 1 3 3 MET CE C 13 16.37 0.15 . 1 . . . . 3 MET CE . 16408 1 33 . 1 1 3 3 MET CG C 13 32.04 0.15 . 1 . . . . 3 MET CG . 16408 1 34 . 1 1 3 3 MET N N 15 123.73 0.15 . 1 . . . . 3 MET N . 16408 1 35 . 1 1 4 4 SER H H 1 8.55 0.02 . 1 . . . . 4 SER HN . 16408 1 36 . 1 1 4 4 SER HA H 1 4.21 0.02 . 1 . . . . 4 SER HA . 16408 1 37 . 1 1 4 4 SER HB2 H 1 3.89 0.02 . 2 . . . . 4 SER HB2 . 16408 1 38 . 1 1 4 4 SER HB3 H 1 3.89 0.02 . 2 . . . . 4 SER HB3 . 16408 1 39 . 1 1 4 4 SER C C 13 174.98 0.15 . 1 . . . . 4 SER C . 16408 1 40 . 1 1 4 4 SER CA C 13 61.22 0.15 . 1 . . . . 4 SER CA . 16408 1 41 . 1 1 4 4 SER CB C 13 63.13 0.15 . 1 . . . . 4 SER CB . 16408 1 42 . 1 1 4 4 SER N N 15 117.33 0.15 . 1 . . . . 4 SER N . 16408 1 43 . 1 1 5 5 ASN H H 1 8.37 0.02 . 1 . . . . 5 ASN HN . 16408 1 44 . 1 1 5 5 ASN HA H 1 4.89 0.02 . 1 . . . . 5 ASN HA . 16408 1 45 . 1 1 5 5 ASN HB2 H 1 2.85 0.02 . 2 . . . . 5 ASN HB2 . 16408 1 46 . 1 1 5 5 ASN HB3 H 1 3.17 0.02 . 2 . . . . 5 ASN HB3 . 16408 1 47 . 1 1 5 5 ASN HD21 H 1 7.54 0.02 . 2 . . . . 5 ASN HD21 . 16408 1 48 . 1 1 5 5 ASN HD22 H 1 6.92 0.02 . 2 . . . . 5 ASN HD22 . 16408 1 49 . 1 1 5 5 ASN C C 13 174.13 0.15 . 1 . . . . 5 ASN C . 16408 1 50 . 1 1 5 5 ASN CA C 13 53.13 0.15 . 1 . . . . 5 ASN CA . 16408 1 51 . 1 1 5 5 ASN CB C 13 39.54 0.15 . 1 . . . . 5 ASN CB . 16408 1 52 . 1 1 5 5 ASN N N 15 118.09 0.15 . 1 . . . . 5 ASN N . 16408 1 53 . 1 1 5 5 ASN ND2 N 15 113.06 0.15 . 1 . . . . 5 ASN ND2 . 16408 1 54 . 1 1 6 6 VAL H H 1 7.57 0.02 . 1 . . . . 6 VAL HN . 16408 1 55 . 1 1 6 6 VAL HA H 1 3.72 0.02 . 1 . . . . 6 VAL HA . 16408 1 56 . 1 1 6 6 VAL HB H 1 1.89 0.02 . 1 . . . . 6 VAL HB . 16408 1 57 . 1 1 6 6 VAL HG11 H 1 0.43 0.02 . 2 . . . . 6 VAL HG11 . 16408 1 58 . 1 1 6 6 VAL HG12 H 1 0.43 0.02 . 2 . . . . 6 VAL HG11 . 16408 1 59 . 1 1 6 6 VAL HG13 H 1 0.43 0.02 . 2 . . . . 6 VAL HG11 . 16408 1 60 . 1 1 6 6 VAL HG21 H 1 0.71 0.02 . 2 . . . . 6 VAL HG21 . 16408 1 61 . 1 1 6 6 VAL HG22 H 1 0.71 0.02 . 2 . . . . 6 VAL HG21 . 16408 1 62 . 1 1 6 6 VAL HG23 H 1 0.71 0.02 . 2 . . . . 6 VAL HG21 . 16408 1 63 . 1 1 6 6 VAL C C 13 176.33 0.15 . 1 . . . . 6 VAL C . 16408 1 64 . 1 1 6 6 VAL CA C 13 63.45 0.15 . 1 . . . . 6 VAL CA . 16408 1 65 . 1 1 6 6 VAL CB C 13 32.76 0.15 . 1 . . . . 6 VAL CB . 16408 1 66 . 1 1 6 6 VAL CG1 C 13 22.85 0.15 . 1 . . . . 6 VAL CG1 . 16408 1 67 . 1 1 6 6 VAL CG2 C 13 22.09 0.15 . 1 . . . . 6 VAL CG2 . 16408 1 68 . 1 1 6 6 VAL N N 15 121.34 0.15 . 1 . . . . 6 VAL N . 16408 1 69 . 1 1 7 7 VAL H H 1 9.08 0.02 . 1 . . . . 7 VAL HN . 16408 1 70 . 1 1 7 7 VAL HA H 1 4.24 0.02 . 1 . . . . 7 VAL HA . 16408 1 71 . 1 1 7 7 VAL HB H 1 2.00 0.02 . 1 . . . . 7 VAL HB . 16408 1 72 . 1 1 7 7 VAL HG11 H 1 0.79 0.02 . 2 . . . . 7 VAL HG11 . 16408 1 73 . 1 1 7 7 VAL HG12 H 1 0.79 0.02 . 2 . . . . 7 VAL HG11 . 16408 1 74 . 1 1 7 7 VAL HG13 H 1 0.79 0.02 . 2 . . . . 7 VAL HG11 . 16408 1 75 . 1 1 7 7 VAL HG21 H 1 0.85 0.02 . 2 . . . . 7 VAL HG21 . 16408 1 76 . 1 1 7 7 VAL HG22 H 1 0.85 0.02 . 2 . . . . 7 VAL HG21 . 16408 1 77 . 1 1 7 7 VAL HG23 H 1 0.85 0.02 . 2 . . . . 7 VAL HG21 . 16408 1 78 . 1 1 7 7 VAL C C 13 175.72 0.15 . 1 . . . . 7 VAL C . 16408 1 79 . 1 1 7 7 VAL CA C 13 62.35 0.15 . 1 . . . . 7 VAL CA . 16408 1 80 . 1 1 7 7 VAL CB C 13 32.81 0.15 . 1 . . . . 7 VAL CB . 16408 1 81 . 1 1 7 7 VAL CG1 C 13 20.08 0.15 . 2 . . . . 7 VAL CG1 . 16408 1 82 . 1 1 7 7 VAL CG2 C 13 21.56 0.15 . 2 . . . . 7 VAL CG2 . 16408 1 83 . 1 1 7 7 VAL N N 15 123.95 0.15 . 1 . . . . 7 VAL N . 16408 1 84 . 1 1 8 8 LYS H H 1 7.49 0.02 . 1 . . . . 8 LYS HN . 16408 1 85 . 1 1 8 8 LYS HA H 1 4.36 0.02 . 1 . . . . 8 LYS HA . 16408 1 86 . 1 1 8 8 LYS HB2 H 1 1.45 0.02 . 2 . . . . 8 LYS HB2 . 16408 1 87 . 1 1 8 8 LYS HB3 H 1 1.65 0.02 . 2 . . . . 8 LYS HB3 . 16408 1 88 . 1 1 8 8 LYS HD2 H 1 1.52 0.02 . 2 . . . . 8 LYS HD2 . 16408 1 89 . 1 1 8 8 LYS HD3 H 1 1.52 0.02 . 2 . . . . 8 LYS HD3 . 16408 1 90 . 1 1 8 8 LYS HE2 H 1 2.59 0.02 . 2 . . . . 8 LYS HE2 . 16408 1 91 . 1 1 8 8 LYS HE3 H 1 2.70 0.02 . 2 . . . . 8 LYS HE3 . 16408 1 92 . 1 1 8 8 LYS HG2 H 1 0.93 0.02 . 2 . . . . 8 LYS HG2 . 16408 1 93 . 1 1 8 8 LYS HG3 H 1 0.99 0.02 . 2 . . . . 8 LYS HG3 . 16408 1 94 . 1 1 8 8 LYS C C 13 172.82 0.15 . 1 . . . . 8 LYS C . 16408 1 95 . 1 1 8 8 LYS CA C 13 55.51 0.15 . 1 . . . . 8 LYS CA . 16408 1 96 . 1 1 8 8 LYS CB C 13 36.19 0.15 . 1 . . . . 8 LYS CB . 16408 1 97 . 1 1 8 8 LYS CD C 13 28.81 0.15 . 1 . . . . 8 LYS CD . 16408 1 98 . 1 1 8 8 LYS CE C 13 42.11 0.15 . 1 . . . . 8 LYS CE . 16408 1 99 . 1 1 8 8 LYS CG C 13 24.69 0.15 . 1 . . . . 8 LYS CG . 16408 1 100 . 1 1 8 8 LYS N N 15 121.14 0.15 . 1 . . . . 8 LYS N . 16408 1 101 . 1 1 9 9 THR H H 1 8.10 0.02 . 1 . . . . 9 THR HN . 16408 1 102 . 1 1 9 9 THR HA H 1 5.11 0.02 . 1 . . . . 9 THR HA . 16408 1 103 . 1 1 9 9 THR HB H 1 3.52 0.02 . 1 . . . . 9 THR HB . 16408 1 104 . 1 1 9 9 THR HG21 H 1 0.92 0.02 . 1 . . . . 9 THR HG21 . 16408 1 105 . 1 1 9 9 THR HG22 H 1 0.92 0.02 . 1 . . . . 9 THR HG21 . 16408 1 106 . 1 1 9 9 THR HG23 H 1 0.92 0.02 . 1 . . . . 9 THR HG21 . 16408 1 107 . 1 1 9 9 THR C C 13 173.75 0.15 . 1 . . . . 9 THR C . 16408 1 108 . 1 1 9 9 THR CA C 13 62.10 0.15 . 1 . . . . 9 THR CA . 16408 1 109 . 1 1 9 9 THR CB C 13 71.60 0.15 . 1 . . . . 9 THR CB . 16408 1 110 . 1 1 9 9 THR CG2 C 13 22.21 0.15 . 1 . . . . 9 THR CG2 . 16408 1 111 . 1 1 9 9 THR N N 15 121.14 0.15 . 1 . . . . 9 THR N . 16408 1 112 . 1 1 10 10 TYR H H 1 9.10 0.02 . 1 . . . . 10 TYR HN . 16408 1 113 . 1 1 10 10 TYR HA H 1 4.77 0.02 . 1 . . . . 10 TYR HA . 16408 1 114 . 1 1 10 10 TYR HB2 H 1 2.59 0.02 . 2 . . . . 10 TYR HB2 . 16408 1 115 . 1 1 10 10 TYR HB3 H 1 2.63 0.02 . 2 . . . . 10 TYR HB3 . 16408 1 116 . 1 1 10 10 TYR HD1 H 1 6.97 0.02 . 3 . . . . 10 TYR HD1 . 16408 1 117 . 1 1 10 10 TYR HD2 H 1 6.97 0.02 . 3 . . . . 10 TYR HD2 . 16408 1 118 . 1 1 10 10 TYR HE1 H 1 6.68 0.02 . 3 . . . . 10 TYR HE1 . 16408 1 119 . 1 1 10 10 TYR HE2 H 1 6.68 0.02 . 3 . . . . 10 TYR HE2 . 16408 1 120 . 1 1 10 10 TYR C C 13 174.55 0.15 . 1 . . . . 10 TYR C . 16408 1 121 . 1 1 10 10 TYR CA C 13 56.54 0.15 . 1 . . . . 10 TYR CA . 16408 1 122 . 1 1 10 10 TYR CB C 13 40.43 0.15 . 1 . . . . 10 TYR CB . 16408 1 123 . 1 1 10 10 TYR N N 15 123.83 0.15 . 1 . . . . 10 TYR N . 16408 1 124 . 1 1 11 11 ASP H H 1 8.79 0.02 . 1 . . . . 11 ASP HN . 16408 1 125 . 1 1 11 11 ASP HA H 1 4.79 0.02 . 1 . . . . 11 ASP HA . 16408 1 126 . 1 1 11 11 ASP HB2 H 1 2.50 0.02 . 2 . . . . 11 ASP HB2 . 16408 1 127 . 1 1 11 11 ASP HB3 H 1 2.67 0.02 . 2 . . . . 11 ASP HB3 . 16408 1 128 . 1 1 11 11 ASP C C 13 176.07 0.15 . 1 . . . . 11 ASP C . 16408 1 129 . 1 1 11 11 ASP CA C 13 54.46 0.15 . 1 . . . . 11 ASP CA . 16408 1 130 . 1 1 11 11 ASP CB C 13 41.95 0.15 . 1 . . . . 11 ASP CB . 16408 1 131 . 1 1 11 11 ASP N N 15 123.14 0.15 . 1 . . . . 11 ASP N . 16408 1 132 . 1 1 12 12 LEU H H 1 8.61 0.02 . 1 . . . . 12 LEU HN . 16408 1 133 . 1 1 12 12 LEU HA H 1 4.75 0.02 . 1 . . . . 12 LEU HA . 16408 1 134 . 1 1 12 12 LEU HB2 H 1 1.54 0.02 . 2 . . . . 12 LEU HB2 . 16408 1 135 . 1 1 12 12 LEU HB3 H 1 1.89 0.02 . 2 . . . . 12 LEU HB3 . 16408 1 136 . 1 1 12 12 LEU HD11 H 1 0.51 0.02 . 2 . . . . 12 LEU HD11 . 16408 1 137 . 1 1 12 12 LEU HD12 H 1 0.51 0.02 . 2 . . . . 12 LEU HD11 . 16408 1 138 . 1 1 12 12 LEU HD13 H 1 0.51 0.02 . 2 . . . . 12 LEU HD11 . 16408 1 139 . 1 1 12 12 LEU HD21 H 1 0.79 0.02 . 2 . . . . 12 LEU HD21 . 16408 1 140 . 1 1 12 12 LEU HD22 H 1 0.79 0.02 . 2 . . . . 12 LEU HD21 . 16408 1 141 . 1 1 12 12 LEU HD23 H 1 0.79 0.02 . 2 . . . . 12 LEU HD21 . 16408 1 142 . 1 1 12 12 LEU HG H 1 1.57 0.02 . 1 . . . . 12 LEU HG . 16408 1 143 . 1 1 12 12 LEU C C 13 179.14 0.15 . 1 . . . . 12 LEU C . 16408 1 144 . 1 1 12 12 LEU CA C 13 53.87 0.15 . 1 . . . . 12 LEU CA . 16408 1 145 . 1 1 12 12 LEU CB C 13 41.03 0.15 . 1 . . . . 12 LEU CB . 16408 1 146 . 1 1 12 12 LEU CD1 C 13 23.11 0.15 . 2 . . . . 12 LEU CD1 . 16408 1 147 . 1 1 12 12 LEU CD2 C 13 26.32 0.15 . 2 . . . . 12 LEU CD2 . 16408 1 148 . 1 1 12 12 LEU CG C 13 27.72 0.15 . 1 . . . . 12 LEU CG . 16408 1 149 . 1 1 12 12 LEU N N 15 121.89 0.15 . 1 . . . . 12 LEU N . 16408 1 150 . 1 1 13 13 GLN H H 1 8.38 0.02 . 1 . . . . 13 GLN HN . 16408 1 151 . 1 1 13 13 GLN HA H 1 3.97 0.02 . 1 . . . . 13 GLN HA . 16408 1 152 . 1 1 13 13 GLN HB2 H 1 1.94 0.02 . 2 . . . . 13 GLN HB2 . 16408 1 153 . 1 1 13 13 GLN HB3 H 1 2.00 0.02 . 2 . . . . 13 GLN HB3 . 16408 1 154 . 1 1 13 13 GLN HE21 H 1 7.30 0.02 . 2 . . . . 13 GLN HE21 . 16408 1 155 . 1 1 13 13 GLN HE22 H 1 6.70 0.02 . 2 . . . . 13 GLN HE22 . 16408 1 156 . 1 1 13 13 GLN HG2 H 1 2.29 0.02 . 2 . . . . 13 GLN HG2 . 16408 1 157 . 1 1 13 13 GLN HG3 H 1 2.35 0.02 . 2 . . . . 13 GLN HG3 . 16408 1 158 . 1 1 13 13 GLN C C 13 175.89 0.15 . 1 . . . . 13 GLN C . 16408 1 159 . 1 1 13 13 GLN CA C 13 58.80 0.15 . 1 . . . . 13 GLN CA . 16408 1 160 . 1 1 13 13 GLN CB C 13 28.47 0.15 . 1 . . . . 13 GLN CB . 16408 1 161 . 1 1 13 13 GLN CG C 13 33.17 0.15 . 1 . . . . 13 GLN CG . 16408 1 162 . 1 1 13 13 GLN N N 15 119.77 0.15 . 1 . . . . 13 GLN N . 16408 1 163 . 1 1 13 13 GLN NE2 N 15 110.75 0.15 . 1 . . . . 13 GLN NE2 . 16408 1 164 . 1 1 14 14 ASP H H 1 7.89 0.02 . 1 . . . . 14 ASP HN . 16408 1 165 . 1 1 14 14 ASP HA H 1 4.50 0.02 . 1 . . . . 14 ASP HA . 16408 1 166 . 1 1 14 14 ASP HB2 H 1 2.59 0.02 . 2 . . . . 14 ASP HB2 . 16408 1 167 . 1 1 14 14 ASP HB3 H 1 3.04 0.02 . 2 . . . . 14 ASP HB3 . 16408 1 168 . 1 1 14 14 ASP C C 13 177.11 0.15 . 1 . . . . 14 ASP C . 16408 1 169 . 1 1 14 14 ASP CA C 13 53.47 0.15 . 1 . . . . 14 ASP CA . 16408 1 170 . 1 1 14 14 ASP CB C 13 40.04 0.15 . 1 . . . . 14 ASP CB . 16408 1 171 . 1 1 14 14 ASP N N 15 115.48 0.15 . 1 . . . . 14 ASP N . 16408 1 172 . 1 1 15 15 GLY H H 1 7.86 0.02 . 1 . . . . 15 GLY HN . 16408 1 173 . 1 1 15 15 GLY HA2 H 1 3.74 0.02 . 2 . . . . 15 GLY HA2 . 16408 1 174 . 1 1 15 15 GLY HA3 H 1 4.29 0.02 . 2 . . . . 15 GLY HA3 . 16408 1 175 . 1 1 15 15 GLY C C 13 174.35 0.15 . 1 . . . . 15 GLY C . 16408 1 176 . 1 1 15 15 GLY CA C 13 45.25 0.15 . 1 . . . . 15 GLY CA . 16408 1 177 . 1 1 15 15 GLY N N 15 108.07 0.15 . 1 . . . . 15 GLY N . 16408 1 178 . 1 1 16 16 SER H H 1 7.90 0.02 . 1 . . . . 16 SER HN . 16408 1 179 . 1 1 16 16 SER HA H 1 4.38 0.02 . 1 . . . . 16 SER HA . 16408 1 180 . 1 1 16 16 SER HB2 H 1 3.89 0.02 . 2 . . . . 16 SER HB2 . 16408 1 181 . 1 1 16 16 SER HB3 H 1 4.12 0.02 . 2 . . . . 16 SER HB3 . 16408 1 182 . 1 1 16 16 SER C C 13 171.99 0.15 . 1 . . . . 16 SER C . 16408 1 183 . 1 1 16 16 SER CA C 13 58.74 0.15 . 1 . . . . 16 SER CA . 16408 1 184 . 1 1 16 16 SER CB C 13 64.53 0.15 . 1 . . . . 16 SER CB . 16408 1 185 . 1 1 16 16 SER N N 15 115.86 0.15 . 1 . . . . 16 SER N . 16408 1 186 . 1 1 17 17 LYS H H 1 8.97 0.02 . 1 . . . . 17 LYS HN . 16408 1 187 . 1 1 17 17 LYS HA H 1 5.21 0.02 . 1 . . . . 17 LYS HA . 16408 1 188 . 1 1 17 17 LYS HB2 H 1 1.23 0.02 . 2 . . . . 17 LYS HB2 . 16408 1 189 . 1 1 17 17 LYS HB3 H 1 1.23 0.02 . 2 . . . . 17 LYS HB3 . 16408 1 190 . 1 1 17 17 LYS HD2 H 1 1.43 0.02 . 2 . . . . 17 LYS HD2 . 16408 1 191 . 1 1 17 17 LYS HD3 H 1 1.46 0.02 . 2 . . . . 17 LYS HD3 . 16408 1 192 . 1 1 17 17 LYS HE2 H 1 2.90 0.02 . 2 . . . . 17 LYS HE2 . 16408 1 193 . 1 1 17 17 LYS HE3 H 1 2.90 0.02 . 2 . . . . 17 LYS HE3 . 16408 1 194 . 1 1 17 17 LYS HG2 H 1 1.23 0.02 . 2 . . . . 17 LYS HG2 . 16408 1 195 . 1 1 17 17 LYS HG3 H 1 1.37 0.02 . 2 . . . . 17 LYS HG3 . 16408 1 196 . 1 1 17 17 LYS C C 13 175.58 0.15 . 1 . . . . 17 LYS C . 16408 1 197 . 1 1 17 17 LYS CA C 13 55.11 0.15 . 1 . . . . 17 LYS CA . 16408 1 198 . 1 1 17 17 LYS CB C 13 37.82 0.15 . 1 . . . . 17 LYS CB . 16408 1 199 . 1 1 17 17 LYS CD C 13 29.84 0.15 . 1 . . . . 17 LYS CD . 16408 1 200 . 1 1 17 17 LYS CE C 13 42.23 0.15 . 1 . . . . 17 LYS CE . 16408 1 201 . 1 1 17 17 LYS CG C 13 25.16 0.15 . 1 . . . . 17 LYS CG . 16408 1 202 . 1 1 17 17 LYS N N 15 117.35 0.15 . 1 . . . . 17 LYS N . 16408 1 203 . 1 1 18 18 VAL H H 1 8.53 0.02 . 1 . . . . 18 VAL HN . 16408 1 204 . 1 1 18 18 VAL HA H 1 4.93 0.02 . 1 . . . . 18 VAL HA . 16408 1 205 . 1 1 18 18 VAL HB H 1 1.88 0.02 . 1 . . . . 18 VAL HB . 16408 1 206 . 1 1 18 18 VAL HG11 H 1 1.01 0.02 . 2 . . . . 18 VAL HG11 . 16408 1 207 . 1 1 18 18 VAL HG12 H 1 1.01 0.02 . 2 . . . . 18 VAL HG11 . 16408 1 208 . 1 1 18 18 VAL HG13 H 1 1.01 0.02 . 2 . . . . 18 VAL HG11 . 16408 1 209 . 1 1 18 18 VAL HG21 H 1 0.93 0.02 . 2 . . . . 18 VAL HG21 . 16408 1 210 . 1 1 18 18 VAL HG22 H 1 0.93 0.02 . 2 . . . . 18 VAL HG21 . 16408 1 211 . 1 1 18 18 VAL HG23 H 1 0.93 0.02 . 2 . . . . 18 VAL HG21 . 16408 1 212 . 1 1 18 18 VAL C C 13 171.58 0.15 . 1 . . . . 18 VAL C . 16408 1 213 . 1 1 18 18 VAL CA C 13 58.64 0.15 . 1 . . . . 18 VAL CA . 16408 1 214 . 1 1 18 18 VAL CB C 13 35.10 0.15 . 1 . . . . 18 VAL CB . 16408 1 215 . 1 1 18 18 VAL CG1 C 13 20.56 0.15 . 2 . . . . 18 VAL CG1 . 16408 1 216 . 1 1 18 18 VAL CG2 C 13 23.51 0.15 . 1 . . . . 18 VAL CG2 . 16408 1 217 . 1 1 18 18 VAL N N 15 116.99 0.15 . 1 . . . . 18 VAL N . 16408 1 218 . 1 1 19 19 HIS H H 1 8.95 0.02 . 1 . . . . 19 HIS HN . 16408 1 219 . 1 1 19 19 HIS HA H 1 5.13 0.02 . 1 . . . . 19 HIS HA . 16408 1 220 . 1 1 19 19 HIS HB2 H 1 2.45 0.02 . 2 . . . . 19 HIS HB2 . 16408 1 221 . 1 1 19 19 HIS HB3 H 1 2.61 0.02 . 2 . . . . 19 HIS HB3 . 16408 1 222 . 1 1 19 19 HIS HD2 H 1 6.77 0.02 . 3 . . . . 19 HIS HD2 . 16408 1 223 . 1 1 19 19 HIS HE1 H 1 7.81 0.02 . 3 . . . . 19 HIS HE1 . 16408 1 224 . 1 1 19 19 HIS C C 13 174.37 0.15 . 1 . . . . 19 HIS C . 16408 1 225 . 1 1 19 19 HIS CA C 13 54.36 0.15 . 1 . . . . 19 HIS CA . 16408 1 226 . 1 1 19 19 HIS CB C 13 32.97 0.15 . 1 . . . . 19 HIS CB . 16408 1 227 . 1 1 19 19 HIS N N 15 127.84 0.15 . 1 . . . . 19 HIS N . 16408 1 228 . 1 1 20 20 VAL H H 1 9.29 0.02 . 1 . . . . 20 VAL HN . 16408 1 229 . 1 1 20 20 VAL HA H 1 4.46 0.02 . 1 . . . . 20 VAL HA . 16408 1 230 . 1 1 20 20 VAL HB H 1 2.08 0.02 . 1 . . . . 20 VAL HB . 16408 1 231 . 1 1 20 20 VAL HG11 H 1 1.07 0.02 . 2 . . . . 20 VAL HG11 . 16408 1 232 . 1 1 20 20 VAL HG12 H 1 1.07 0.02 . 2 . . . . 20 VAL HG11 . 16408 1 233 . 1 1 20 20 VAL HG13 H 1 1.07 0.02 . 2 . . . . 20 VAL HG11 . 16408 1 234 . 1 1 20 20 VAL HG21 H 1 1.06 0.02 . 2 . . . . 20 VAL HG21 . 16408 1 235 . 1 1 20 20 VAL HG22 H 1 1.06 0.02 . 2 . . . . 20 VAL HG21 . 16408 1 236 . 1 1 20 20 VAL HG23 H 1 1.06 0.02 . 2 . . . . 20 VAL HG21 . 16408 1 237 . 1 1 20 20 VAL C C 13 175.81 0.15 . 1 . . . . 20 VAL C . 16408 1 238 . 1 1 20 20 VAL CA C 13 61.99 0.15 . 1 . . . . 20 VAL CA . 16408 1 239 . 1 1 20 20 VAL CB C 13 32.73 0.15 . 1 . . . . 20 VAL CB . 16408 1 240 . 1 1 20 20 VAL CG1 C 13 21.05 0.15 . 1 . . . . 20 VAL CG1 . 16408 1 241 . 1 1 20 20 VAL CG2 C 13 20.91 0.15 . 1 . . . . 20 VAL CG2 . 16408 1 242 . 1 1 20 20 VAL N N 15 123.22 0.15 . 1 . . . . 20 VAL N . 16408 1 243 . 1 1 21 21 PHE H H 1 9.07 0.02 . 1 . . . . 21 PHE HN . 16408 1 244 . 1 1 21 21 PHE HA H 1 5.22 0.02 . 1 . . . . 21 PHE HA . 16408 1 245 . 1 1 21 21 PHE HB2 H 1 3.11 0.02 . 2 . . . . 21 PHE HB2 . 16408 1 246 . 1 1 21 21 PHE HB3 H 1 3.37 0.02 . 2 . . . . 21 PHE HB3 . 16408 1 247 . 1 1 21 21 PHE HD1 H 1 7.15 0.02 . 3 . . . . 21 PHE HD1 . 16408 1 248 . 1 1 21 21 PHE HD2 H 1 7.15 0.02 . 3 . . . . 21 PHE HD2 . 16408 1 249 . 1 1 21 21 PHE HE1 H 1 7.12 0.02 . 3 . . . . 21 PHE HE1 . 16408 1 250 . 1 1 21 21 PHE HE2 H 1 7.12 0.02 . 3 . . . . 21 PHE HE2 . 16408 1 251 . 1 1 21 21 PHE HZ H 1 7.04 0.02 . 1 . . . . 21 PHE HZ . 16408 1 252 . 1 1 21 21 PHE C C 13 178.59 0.15 . 1 . . . . 21 PHE C . 16408 1 253 . 1 1 21 21 PHE CA C 13 58.08 0.15 . 1 . . . . 21 PHE CA . 16408 1 254 . 1 1 21 21 PHE CB C 13 40.81 0.15 . 1 . . . . 21 PHE CB . 16408 1 255 . 1 1 21 21 PHE N N 15 125.78 0.15 . 1 . . . . 21 PHE N . 16408 1 256 . 1 1 22 22 LYS H H 1 8.71 0.02 . 1 . . . . 22 LYS HN . 16408 1 257 . 1 1 22 22 LYS HA H 1 3.96 0.02 . 1 . . . . 22 LYS HA . 16408 1 258 . 1 1 22 22 LYS HB2 H 1 1.93 0.02 . 2 . . . . 22 LYS HB2 . 16408 1 259 . 1 1 22 22 LYS HB3 H 1 1.93 0.02 . 2 . . . . 22 LYS HB3 . 16408 1 260 . 1 1 22 22 LYS HD2 H 1 1.73 0.02 . 2 . . . . 22 LYS HD2 . 16408 1 261 . 1 1 22 22 LYS HD3 H 1 1.73 0.02 . 2 . . . . 22 LYS HD3 . 16408 1 262 . 1 1 22 22 LYS HE2 H 1 2.98 0.02 . 2 . . . . 22 LYS HE2 . 16408 1 263 . 1 1 22 22 LYS HE3 H 1 2.98 0.02 . 2 . . . . 22 LYS HE3 . 16408 1 264 . 1 1 22 22 LYS HG2 H 1 1.46 0.02 . 2 . . . . 22 LYS HG2 . 16408 1 265 . 1 1 22 22 LYS HG3 H 1 1.51 0.02 . 2 . . . . 22 LYS HG3 . 16408 1 266 . 1 1 22 22 LYS C C 13 176.47 0.15 . 1 . . . . 22 LYS C . 16408 1 267 . 1 1 22 22 LYS CA C 13 59.93 0.15 . 1 . . . . 22 LYS CA . 16408 1 268 . 1 1 22 22 LYS CB C 13 32.90 0.15 . 1 . . . . 22 LYS CB . 16408 1 269 . 1 1 22 22 LYS CD C 13 29.65 0.15 . 1 . . . . 22 LYS CD . 16408 1 270 . 1 1 22 22 LYS CE C 13 42.18 0.15 . 1 . . . . 22 LYS CE . 16408 1 271 . 1 1 22 22 LYS CG C 13 25.76 0.15 . 1 . . . . 22 LYS CG . 16408 1 272 . 1 1 22 22 LYS N N 15 121.89 0.15 . 1 . . . . 22 LYS N . 16408 1 273 . 1 1 23 23 ASP H H 1 8.13 0.02 . 1 . . . . 23 ASP HN . 16408 1 274 . 1 1 23 23 ASP HA H 1 4.54 0.02 . 1 . . . . 23 ASP HA . 16408 1 275 . 1 1 23 23 ASP HB2 H 1 2.67 0.02 . 2 . . . . 23 ASP HB2 . 16408 1 276 . 1 1 23 23 ASP HB3 H 1 3.10 0.02 . 2 . . . . 23 ASP HB3 . 16408 1 277 . 1 1 23 23 ASP C C 13 176.94 0.15 . 1 . . . . 23 ASP C . 16408 1 278 . 1 1 23 23 ASP CA C 13 53.34 0.15 . 1 . . . . 23 ASP CA . 16408 1 279 . 1 1 23 23 ASP CB C 13 39.67 0.15 . 1 . . . . 23 ASP CB . 16408 1 280 . 1 1 23 23 ASP N N 15 115.40 0.15 . 1 . . . . 23 ASP N . 16408 1 281 . 1 1 24 24 GLY H H 1 8.29 0.02 . 1 . . . . 24 GLY HN . 16408 1 282 . 1 1 24 24 GLY HA2 H 1 3.62 0.02 . 2 . . . . 24 GLY HA2 . 16408 1 283 . 1 1 24 24 GLY HA3 H 1 4.30 0.02 . 2 . . . . 24 GLY HA3 . 16408 1 284 . 1 1 24 24 GLY C C 13 174.17 0.15 . 1 . . . . 24 GLY C . 16408 1 285 . 1 1 24 24 GLY CA C 13 45.28 0.15 . 1 . . . . 24 GLY CA . 16408 1 286 . 1 1 24 24 GLY N N 15 108.91 0.15 . 1 . . . . 24 GLY N . 16408 1 287 . 1 1 25 25 LYS H H 1 7.59 0.02 . 1 . . . . 25 LYS HN . 16408 1 288 . 1 1 25 25 LYS HA H 1 4.39 0.02 . 1 . . . . 25 LYS HA . 16408 1 289 . 1 1 25 25 LYS HB2 H 1 1.85 0.02 . 2 . . . . 25 LYS HB2 . 16408 1 290 . 1 1 25 25 LYS HB3 H 1 2.03 0.02 . 2 . . . . 25 LYS HB3 . 16408 1 291 . 1 1 25 25 LYS HD2 H 1 1.57 0.02 . 2 . . . . 25 LYS HD2 . 16408 1 292 . 1 1 25 25 LYS HD3 H 1 1.57 0.02 . 2 . . . . 25 LYS HD3 . 16408 1 293 . 1 1 25 25 LYS HE2 H 1 2.90 0.02 . 2 . . . . 25 LYS HE2 . 16408 1 294 . 1 1 25 25 LYS HE3 H 1 2.90 0.02 . 2 . . . . 25 LYS HE3 . 16408 1 295 . 1 1 25 25 LYS HG2 H 1 1.17 0.02 . 2 . . . . 25 LYS HG2 . 16408 1 296 . 1 1 25 25 LYS HG3 H 1 1.36 0.02 . 2 . . . . 25 LYS HG3 . 16408 1 297 . 1 1 25 25 LYS C C 13 175.18 0.15 . 1 . . . . 25 LYS C . 16408 1 298 . 1 1 25 25 LYS CA C 13 56.44 0.15 . 1 . . . . 25 LYS CA . 16408 1 299 . 1 1 25 25 LYS CB C 13 33.05 0.15 . 1 . . . . 25 LYS CB . 16408 1 300 . 1 1 25 25 LYS CD C 13 29.10 0.15 . 1 . . . . 25 LYS CD . 16408 1 301 . 1 1 25 25 LYS CE C 13 42.38 0.15 . 1 . . . . 25 LYS CE . 16408 1 302 . 1 1 25 25 LYS CG C 13 26.67 0.15 . 1 . . . . 25 LYS CG . 16408 1 303 . 1 1 25 25 LYS N N 15 118.14 0.15 . 1 . . . . 25 LYS N . 16408 1 304 . 1 1 26 26 MET H H 1 8.48 0.02 . 1 . . . . 26 MET HN . 16408 1 305 . 1 1 26 26 MET HA H 1 5.95 0.02 . 1 . . . . 26 MET HA . 16408 1 306 . 1 1 26 26 MET HB2 H 1 1.82 0.02 . 2 . . . . 26 MET HB2 . 16408 1 307 . 1 1 26 26 MET HB3 H 1 1.82 0.02 . 2 . . . . 26 MET HB3 . 16408 1 308 . 1 1 26 26 MET HE1 H 1 2.14 0.02 . 1 . . . . 26 MET HE1 . 16408 1 309 . 1 1 26 26 MET HE2 H 1 2.14 0.02 . 1 . . . . 26 MET HE1 . 16408 1 310 . 1 1 26 26 MET HE3 H 1 2.14 0.02 . 1 . . . . 26 MET HE1 . 16408 1 311 . 1 1 26 26 MET HG2 H 1 2.72 0.02 . 2 . . . . 26 MET HG2 . 16408 1 312 . 1 1 26 26 MET HG3 H 1 2.79 0.02 . 2 . . . . 26 MET HG3 . 16408 1 313 . 1 1 26 26 MET C C 13 175.74 0.15 . 1 . . . . 26 MET C . 16408 1 314 . 1 1 26 26 MET CA C 13 55.16 0.15 . 1 . . . . 26 MET CA . 16408 1 315 . 1 1 26 26 MET CB C 13 37.57 0.15 . 1 . . . . 26 MET CB . 16408 1 316 . 1 1 26 26 MET CE C 13 18.57 0.15 . 1 . . . . 26 MET CE . 16408 1 317 . 1 1 26 26 MET CG C 13 34.58 0.15 . 1 . . . . 26 MET CG . 16408 1 318 . 1 1 26 26 MET N N 15 115.87 0.15 . 1 . . . . 26 MET N . 16408 1 319 . 1 1 27 27 GLY H H 1 9.05 0.02 . 1 . . . . 27 GLY HN . 16408 1 320 . 1 1 27 27 GLY HA2 H 1 3.81 0.02 . 2 . . . . 27 GLY HA2 . 16408 1 321 . 1 1 27 27 GLY HA3 H 1 4.93 0.02 . 2 . . . . 27 GLY HA3 . 16408 1 322 . 1 1 27 27 GLY C C 13 172.24 0.15 . 1 . . . . 27 GLY C . 16408 1 323 . 1 1 27 27 GLY CA C 13 44.71 0.15 . 1 . . . . 27 GLY CA . 16408 1 324 . 1 1 27 27 GLY N N 15 106.72 0.15 . 1 . . . . 27 GLY N . 16408 1 325 . 1 1 28 28 MET H H 1 8.95 0.02 . 1 . . . . 28 MET HN . 16408 1 326 . 1 1 28 28 MET HA H 1 5.43 0.02 . 1 . . . . 28 MET HA . 16408 1 327 . 1 1 28 28 MET HB2 H 1 2.10 0.02 . 2 . . . . 28 MET HB2 . 16408 1 328 . 1 1 28 28 MET HB3 H 1 2.53 0.02 . 2 . . . . 28 MET HB3 . 16408 1 329 . 1 1 28 28 MET HE1 H 1 2.17 0.02 . 1 . . . . 28 MET HE1 . 16408 1 330 . 1 1 28 28 MET HE2 H 1 2.17 0.02 . 1 . . . . 28 MET HE1 . 16408 1 331 . 1 1 28 28 MET HE3 H 1 2.17 0.02 . 1 . . . . 28 MET HE1 . 16408 1 332 . 1 1 28 28 MET HG2 H 1 2.73 0.02 . 2 . . . . 28 MET HG2 . 16408 1 333 . 1 1 28 28 MET HG3 H 1 2.83 0.02 . 2 . . . . 28 MET HG3 . 16408 1 334 . 1 1 28 28 MET C C 13 175.09 0.15 . 1 . . . . 28 MET C . 16408 1 335 . 1 1 28 28 MET CA C 13 53.59 0.15 . 1 . . . . 28 MET CA . 16408 1 336 . 1 1 28 28 MET CB C 13 34.04 0.15 . 1 . . . . 28 MET CB . 16408 1 337 . 1 1 28 28 MET CE C 13 20.22 0.15 . 1 . . . . 28 MET CE . 16408 1 338 . 1 1 28 28 MET CG C 13 36.12 0.15 . 1 . . . . 28 MET CG . 16408 1 339 . 1 1 28 28 MET N N 15 119.55 0.15 . 1 . . . . 28 MET N . 16408 1 340 . 1 1 29 29 GLU H H 1 8.66 0.02 . 1 . . . . 29 GLU HN . 16408 1 341 . 1 1 29 29 GLU HA H 1 5.04 0.02 . 1 . . . . 29 GLU HA . 16408 1 342 . 1 1 29 29 GLU HB2 H 1 1.80 0.02 . 2 . . . . 29 GLU HB2 . 16408 1 343 . 1 1 29 29 GLU HB3 H 1 1.88 0.02 . 2 . . . . 29 GLU HB3 . 16408 1 344 . 1 1 29 29 GLU HG2 H 1 2.04 0.02 . 2 . . . . 29 GLU HG2 . 16408 1 345 . 1 1 29 29 GLU HG3 H 1 2.35 0.02 . 2 . . . . 29 GLU HG3 . 16408 1 346 . 1 1 29 29 GLU C C 13 175.05 0.15 . 1 . . . . 29 GLU C . 16408 1 347 . 1 1 29 29 GLU CA C 13 54.25 0.15 . 1 . . . . 29 GLU CA . 16408 1 348 . 1 1 29 29 GLU CB C 13 34.62 0.15 . 1 . . . . 29 GLU CB . 16408 1 349 . 1 1 29 29 GLU CG C 13 36.34 0.15 . 1 . . . . 29 GLU CG . 16408 1 350 . 1 1 29 29 GLU N N 15 120.93 0.15 . 1 . . . . 29 GLU N . 16408 1 351 . 1 1 30 30 ASN H H 1 9.16 0.02 . 1 . . . . 30 ASN HN . 16408 1 352 . 1 1 30 30 ASN HA H 1 4.71 0.02 . 1 . . . . 30 ASN HA . 16408 1 353 . 1 1 30 30 ASN HB2 H 1 3.14 0.02 . 2 . . . . 30 ASN HB2 . 16408 1 354 . 1 1 30 30 ASN HB3 H 1 3.58 0.02 . 2 . . . . 30 ASN HB3 . 16408 1 355 . 1 1 30 30 ASN HD21 H 1 7.86 0.02 . 2 . . . . 30 ASN HD21 . 16408 1 356 . 1 1 30 30 ASN HD22 H 1 7.30 0.02 . 2 . . . . 30 ASN HD22 . 16408 1 357 . 1 1 30 30 ASN C C 13 177.07 0.15 . 1 . . . . 30 ASN C . 16408 1 358 . 1 1 30 30 ASN CA C 13 51.39 0.15 . 1 . . . . 30 ASN CA . 16408 1 359 . 1 1 30 30 ASN CB C 13 39.14 0.15 . 1 . . . . 30 ASN CB . 16408 1 360 . 1 1 30 30 ASN N N 15 121.25 0.15 . 1 . . . . 30 ASN N . 16408 1 361 . 1 1 30 30 ASN ND2 N 15 112.44 0.15 . 1 . . . . 30 ASN ND2 . 16408 1 362 . 1 1 31 31 LYS H H 1 8.53 0.02 . 1 . . . . 31 LYS HN . 16408 1 363 . 1 1 31 31 LYS HA H 1 3.97 0.02 . 1 . . . . 31 LYS HA . 16408 1 364 . 1 1 31 31 LYS HB2 H 1 1.27 0.02 . 2 . . . . 31 LYS HB2 . 16408 1 365 . 1 1 31 31 LYS HB3 H 1 1.61 0.02 . 2 . . . . 31 LYS HB3 . 16408 1 366 . 1 1 31 31 LYS HD2 H 1 1.42 0.02 . 2 . . . . 31 LYS HD2 . 16408 1 367 . 1 1 31 31 LYS HD3 H 1 1.42 0.02 . 2 . . . . 31 LYS HD3 . 16408 1 368 . 1 1 31 31 LYS HE2 H 1 2.73 0.02 . 2 . . . . 31 LYS HE2 . 16408 1 369 . 1 1 31 31 LYS HE3 H 1 2.73 0.02 . 2 . . . . 31 LYS HE3 . 16408 1 370 . 1 1 31 31 LYS HG2 H 1 0.20 0.02 . 2 . . . . 31 LYS HG2 . 16408 1 371 . 1 1 31 31 LYS HG3 H 1 0.83 0.02 . 2 . . . . 31 LYS HG3 . 16408 1 372 . 1 1 31 31 LYS C C 13 175.74 0.15 . 1 . . . . 31 LYS C . 16408 1 373 . 1 1 31 31 LYS CA C 13 58.33 0.15 . 1 . . . . 31 LYS CA . 16408 1 374 . 1 1 31 31 LYS CB C 13 31.67 0.15 . 1 . . . . 31 LYS CB . 16408 1 375 . 1 1 31 31 LYS CD C 13 29.40 0.15 . 1 . . . . 31 LYS CD . 16408 1 376 . 1 1 31 31 LYS CE C 13 41.91 0.15 . 1 . . . . 31 LYS CE . 16408 1 377 . 1 1 31 31 LYS CG C 13 22.96 0.15 . 1 . . . . 31 LYS CG . 16408 1 378 . 1 1 31 31 LYS N N 15 116.99 0.15 . 1 . . . . 31 LYS N . 16408 1 379 . 1 1 32 32 PHE H H 1 7.47 0.02 . 1 . . . . 32 PHE HN . 16408 1 380 . 1 1 32 32 PHE HA H 1 4.77 0.02 . 1 . . . . 32 PHE HA . 16408 1 381 . 1 1 32 32 PHE HB2 H 1 2.83 0.02 . 2 . . . . 32 PHE HB2 . 16408 1 382 . 1 1 32 32 PHE HB3 H 1 3.56 0.02 . 2 . . . . 32 PHE HB3 . 16408 1 383 . 1 1 32 32 PHE HD1 H 1 7.21 0.02 . 3 . . . . 32 PHE HD1 . 16408 1 384 . 1 1 32 32 PHE HD2 H 1 7.21 0.02 . 3 . . . . 32 PHE HD2 . 16408 1 385 . 1 1 32 32 PHE HE1 H 1 7.36 0.02 . 3 . . . . 32 PHE HE1 . 16408 1 386 . 1 1 32 32 PHE HE2 H 1 7.36 0.02 . 3 . . . . 32 PHE HE2 . 16408 1 387 . 1 1 32 32 PHE HZ H 1 7.30 0.02 . 1 . . . . 32 PHE HZ . 16408 1 388 . 1 1 32 32 PHE C C 13 176.09 0.15 . 1 . . . . 32 PHE C . 16408 1 389 . 1 1 32 32 PHE CA C 13 56.68 0.15 . 1 . . . . 32 PHE CA . 16408 1 390 . 1 1 32 32 PHE CB C 13 39.12 0.15 . 1 . . . . 32 PHE CB . 16408 1 391 . 1 1 32 32 PHE N N 15 117.78 0.15 . 1 . . . . 32 PHE N . 16408 1 392 . 1 1 33 33 GLY H H 1 8.16 0.02 . 1 . . . . 33 GLY HN . 16408 1 393 . 1 1 33 33 GLY HA2 H 1 4.20 0.02 . 2 . . . . 33 GLY HA2 . 16408 1 394 . 1 1 33 33 GLY HA3 H 1 4.20 0.02 . 2 . . . . 33 GLY HA3 . 16408 1 395 . 1 1 33 33 GLY C C 13 174.09 0.15 . 1 . . . . 33 GLY C . 16408 1 396 . 1 1 33 33 GLY CA C 13 45.68 0.15 . 1 . . . . 33 GLY CA . 16408 1 397 . 1 1 33 33 GLY N N 15 108.13 0.15 . 1 . . . . 33 GLY N . 16408 1 398 . 1 1 34 34 LYS H H 1 7.69 0.02 . 1 . . . . 34 LYS HN . 16408 1 399 . 1 1 34 34 LYS HA H 1 4.65 0.02 . 1 . . . . 34 LYS HA . 16408 1 400 . 1 1 34 34 LYS HB2 H 1 1.76 0.02 . 2 . . . . 34 LYS HB2 . 16408 1 401 . 1 1 34 34 LYS HB3 H 1 1.95 0.02 . 2 . . . . 34 LYS HB3 . 16408 1 402 . 1 1 34 34 LYS HD2 H 1 1.66 0.02 . 2 . . . . 34 LYS HD2 . 16408 1 403 . 1 1 34 34 LYS HD3 H 1 1.66 0.02 . 2 . . . . 34 LYS HD3 . 16408 1 404 . 1 1 34 34 LYS HE2 H 1 2.99 0.02 . 2 . . . . 34 LYS HE2 . 16408 1 405 . 1 1 34 34 LYS HE3 H 1 2.99 0.02 . 2 . . . . 34 LYS HE3 . 16408 1 406 . 1 1 34 34 LYS HG2 H 1 1.41 0.02 . 2 . . . . 34 LYS HG2 . 16408 1 407 . 1 1 34 34 LYS HG3 H 1 1.52 0.02 . 2 . . . . 34 LYS HG3 . 16408 1 408 . 1 1 34 34 LYS C C 13 176.10 0.15 . 1 . . . . 34 LYS C . 16408 1 409 . 1 1 34 34 LYS CA C 13 53.63 0.15 . 1 . . . . 34 LYS CA . 16408 1 410 . 1 1 34 34 LYS CB C 13 33.57 0.15 . 1 . . . . 34 LYS CB . 16408 1 411 . 1 1 34 34 LYS CD C 13 28.48 0.15 . 1 . . . . 34 LYS CD . 16408 1 412 . 1 1 34 34 LYS CE C 13 42.39 0.15 . 1 . . . . 34 LYS CE . 16408 1 413 . 1 1 34 34 LYS CG C 13 24.80 0.15 . 1 . . . . 34 LYS CG . 16408 1 414 . 1 1 34 34 LYS N N 15 119.15 0.15 . 1 . . . . 34 LYS N . 16408 1 415 . 1 1 35 35 SER H H 1 8.67 0.02 . 1 . . . . 35 SER HN . 16408 1 416 . 1 1 35 35 SER HA H 1 4.78 0.02 . 1 . . . . 35 SER HA . 16408 1 417 . 1 1 35 35 SER HB2 H 1 3.84 0.02 . 2 . . . . 35 SER HB2 . 16408 1 418 . 1 1 35 35 SER HB3 H 1 3.84 0.02 . 2 . . . . 35 SER HB3 . 16408 1 419 . 1 1 35 35 SER C C 13 173.71 0.15 . 1 . . . . 35 SER C . 16408 1 420 . 1 1 35 35 SER CA C 13 59.35 0.15 . 1 . . . . 35 SER CA . 16408 1 421 . 1 1 35 35 SER CB C 13 63.93 0.15 . 1 . . . . 35 SER CB . 16408 1 422 . 1 1 35 35 SER N N 15 117.86 0.15 . 1 . . . . 35 SER N . 16408 1 423 . 1 1 36 36 MET H H 1 7.70 0.02 . 1 . . . . 36 MET HN . 16408 1 424 . 1 1 36 36 MET HA H 1 4.76 0.02 . 1 . . . . 36 MET HA . 16408 1 425 . 1 1 36 36 MET HB2 H 1 1.94 0.02 . 2 . . . . 36 MET HB2 . 16408 1 426 . 1 1 36 36 MET HB3 H 1 1.94 0.02 . 2 . . . . 36 MET HB3 . 16408 1 427 . 1 1 36 36 MET HE1 H 1 2.09 0.02 . 1 . . . . 36 MET HE1 . 16408 1 428 . 1 1 36 36 MET HE2 H 1 2.09 0.02 . 1 . . . . 36 MET HE1 . 16408 1 429 . 1 1 36 36 MET HE3 H 1 2.09 0.02 . 1 . . . . 36 MET HE1 . 16408 1 430 . 1 1 36 36 MET HG2 H 1 2.32 0.02 . 2 . . . . 36 MET HG2 . 16408 1 431 . 1 1 36 36 MET HG3 H 1 2.41 0.02 . 2 . . . . 36 MET HG3 . 16408 1 432 . 1 1 36 36 MET C C 13 173.58 0.15 . 1 . . . . 36 MET C . 16408 1 433 . 1 1 36 36 MET CA C 13 54.15 0.15 . 1 . . . . 36 MET CA . 16408 1 434 . 1 1 36 36 MET CB C 13 36.43 0.15 . 1 . . . . 36 MET CB . 16408 1 435 . 1 1 36 36 MET CE C 13 17.52 0.15 . 1 . . . . 36 MET CE . 16408 1 436 . 1 1 36 36 MET CG C 13 31.64 0.15 . 1 . . . . 36 MET CG . 16408 1 437 . 1 1 36 36 MET N N 15 119.39 0.15 . 1 . . . . 36 MET N . 16408 1 438 . 1 1 37 37 ASN H H 1 8.81 0.02 . 1 . . . . 37 ASN HN . 16408 1 439 . 1 1 37 37 ASN HA H 1 4.85 0.02 . 1 . . . . 37 ASN HA . 16408 1 440 . 1 1 37 37 ASN HB2 H 1 2.64 0.02 . 2 . . . . 37 ASN HB2 . 16408 1 441 . 1 1 37 37 ASN HB3 H 1 2.65 0.02 . 2 . . . . 37 ASN HB3 . 16408 1 442 . 1 1 37 37 ASN HD21 H 1 7.61 0.02 . 2 . . . . 37 ASN HD21 . 16408 1 443 . 1 1 37 37 ASN HD22 H 1 6.94 0.02 . 2 . . . . 37 ASN HD22 . 16408 1 444 . 1 1 37 37 ASN C C 13 174.82 0.15 . 1 . . . . 37 ASN C . 16408 1 445 . 1 1 37 37 ASN CA C 13 53.04 0.15 . 1 . . . . 37 ASN CA . 16408 1 446 . 1 1 37 37 ASN CB C 13 40.89 0.15 . 1 . . . . 37 ASN CB . 16408 1 447 . 1 1 37 37 ASN N N 15 121.86 0.15 . 1 . . . . 37 ASN N . 16408 1 448 . 1 1 37 37 ASN ND2 N 15 113.41 0.15 . 1 . . . . 37 ASN ND2 . 16408 1 449 . 1 1 38 38 MET H H 1 8.43 0.02 . 1 . . . . 38 MET HN . 16408 1 450 . 1 1 38 38 MET HA H 1 4.77 0.02 . 1 . . . . 38 MET HA . 16408 1 451 . 1 1 38 38 MET HB2 H 1 1.72 0.02 . 2 . . . . 38 MET HB2 . 16408 1 452 . 1 1 38 38 MET HB3 H 1 2.49 0.02 . 2 . . . . 38 MET HB3 . 16408 1 453 . 1 1 38 38 MET HE1 H 1 2.31 0.02 . 1 . . . . 38 MET HE1 . 16408 1 454 . 1 1 38 38 MET HE2 H 1 2.31 0.02 . 1 . . . . 38 MET HE1 . 16408 1 455 . 1 1 38 38 MET HE3 H 1 2.31 0.02 . 1 . . . . 38 MET HE1 . 16408 1 456 . 1 1 38 38 MET HG2 H 1 2.74 0.02 . 2 . . . . 38 MET HG2 . 16408 1 457 . 1 1 38 38 MET HG3 H 1 2.79 0.02 . 2 . . . . 38 MET HG3 . 16408 1 458 . 1 1 38 38 MET CA C 13 53.15 0.15 . 1 . . . . 38 MET CA . 16408 1 459 . 1 1 38 38 MET CB C 13 38.98 0.15 . 1 . . . . 38 MET CB . 16408 1 460 . 1 1 38 38 MET CE C 13 21.76 0.15 . 1 . . . . 38 MET CE . 16408 1 461 . 1 1 38 38 MET CG C 13 32.67 0.15 . 1 . . . . 38 MET CG . 16408 1 462 . 1 1 38 38 MET N N 15 122.70 0.15 . 1 . . . . 38 MET N . 16408 1 463 . 1 1 39 39 PRO HA H 1 4.35 0.02 . 1 . . . . 39 PRO HA . 16408 1 464 . 1 1 39 39 PRO HB2 H 1 1.80 0.02 . 2 . . . . 39 PRO HB2 . 16408 1 465 . 1 1 39 39 PRO HB3 H 1 2.35 0.02 . 2 . . . . 39 PRO HB3 . 16408 1 466 . 1 1 39 39 PRO HD2 H 1 3.53 0.02 . 2 . . . . 39 PRO HD2 . 16408 1 467 . 1 1 39 39 PRO HD3 H 1 3.77 0.02 . 2 . . . . 39 PRO HD3 . 16408 1 468 . 1 1 39 39 PRO HG2 H 1 1.98 0.02 . 2 . . . . 39 PRO HG2 . 16408 1 469 . 1 1 39 39 PRO HG3 H 1 1.98 0.02 . 2 . . . . 39 PRO HG3 . 16408 1 470 . 1 1 39 39 PRO C C 13 175.59 0.15 . 1 . . . . 39 PRO C . 16408 1 471 . 1 1 39 39 PRO CA C 13 62.98 0.15 . 1 . . . . 39 PRO CA . 16408 1 472 . 1 1 39 39 PRO CB C 13 32.70 0.15 . 1 . . . . 39 PRO CB . 16408 1 473 . 1 1 39 39 PRO CD C 13 51.66 0.15 . 1 . . . . 39 PRO CD . 16408 1 474 . 1 1 39 39 PRO CG C 13 27.52 0.15 . 1 . . . . 39 PRO CG . 16408 1 475 . 1 1 40 40 GLU H H 1 8.37 0.02 . 1 . . . . 40 GLU HN . 16408 1 476 . 1 1 40 40 GLU HA H 1 3.65 0.02 . 1 . . . . 40 GLU HA . 16408 1 477 . 1 1 40 40 GLU HB2 H 1 1.93 0.02 . 2 . . . . 40 GLU HB2 . 16408 1 478 . 1 1 40 40 GLU HB3 H 1 1.98 0.02 . 2 . . . . 40 GLU HB3 . 16408 1 479 . 1 1 40 40 GLU HG2 H 1 2.20 0.02 . 2 . . . . 40 GLU HG2 . 16408 1 480 . 1 1 40 40 GLU HG3 H 1 2.39 0.02 . 2 . . . . 40 GLU HG3 . 16408 1 481 . 1 1 40 40 GLU C C 13 177.79 0.15 . 1 . . . . 40 GLU C . 16408 1 482 . 1 1 40 40 GLU CA C 13 57.65 0.15 . 1 . . . . 40 GLU CA . 16408 1 483 . 1 1 40 40 GLU CB C 13 30.05 0.15 . 1 . . . . 40 GLU CB . 16408 1 484 . 1 1 40 40 GLU CG C 13 36.59 0.15 . 1 . . . . 40 GLU CG . 16408 1 485 . 1 1 40 40 GLU N N 15 121.01 0.15 . 1 . . . . 40 GLU N . 16408 1 486 . 1 1 41 41 GLY H H 1 9.13 0.02 . 1 . . . . 41 GLY HN . 16408 1 487 . 1 1 41 41 GLY HA2 H 1 3.46 0.02 . 2 . . . . 41 GLY HA2 . 16408 1 488 . 1 1 41 41 GLY HA3 H 1 4.42 0.02 . 2 . . . . 41 GLY HA3 . 16408 1 489 . 1 1 41 41 GLY C C 13 173.90 0.15 . 1 . . . . 41 GLY C . 16408 1 490 . 1 1 41 41 GLY CA C 13 45.00 0.15 . 1 . . . . 41 GLY CA . 16408 1 491 . 1 1 41 41 GLY N N 15 112.17 0.15 . 1 . . . . 41 GLY N . 16408 1 492 . 1 1 42 42 LYS H H 1 6.95 0.02 . 1 . . . . 42 LYS HN . 16408 1 493 . 1 1 42 42 LYS HA H 1 4.25 0.02 . 1 . . . . 42 LYS HA . 16408 1 494 . 1 1 42 42 LYS HB2 H 1 1.77 0.02 . 2 . . . . 42 LYS HB2 . 16408 1 495 . 1 1 42 42 LYS HB3 H 1 1.83 0.02 . 2 . . . . 42 LYS HB3 . 16408 1 496 . 1 1 42 42 LYS HD2 H 1 1.66 0.02 . 2 . . . . 42 LYS HD2 . 16408 1 497 . 1 1 42 42 LYS HD3 H 1 1.66 0.02 . 2 . . . . 42 LYS HD3 . 16408 1 498 . 1 1 42 42 LYS HE2 H 1 2.98 0.02 . 2 . . . . 42 LYS HE2 . 16408 1 499 . 1 1 42 42 LYS HE3 H 1 2.98 0.02 . 2 . . . . 42 LYS HE3 . 16408 1 500 . 1 1 42 42 LYS HG2 H 1 1.45 0.02 . 2 . . . . 42 LYS HG2 . 16408 1 501 . 1 1 42 42 LYS HG3 H 1 1.45 0.02 . 2 . . . . 42 LYS HG3 . 16408 1 502 . 1 1 42 42 LYS C C 13 175.68 0.15 . 1 . . . . 42 LYS C . 16408 1 503 . 1 1 42 42 LYS CA C 13 55.58 0.15 . 1 . . . . 42 LYS CA . 16408 1 504 . 1 1 42 42 LYS CB C 13 33.02 0.15 . 1 . . . . 42 LYS CB . 16408 1 505 . 1 1 42 42 LYS CD C 13 28.48 0.15 . 1 . . . . 42 LYS CD . 16408 1 506 . 1 1 42 42 LYS CE C 13 42.22 0.15 . 1 . . . . 42 LYS CE . 16408 1 507 . 1 1 42 42 LYS CG C 13 25.17 0.15 . 1 . . . . 42 LYS CG . 16408 1 508 . 1 1 42 42 LYS N N 15 120.15 0.15 . 1 . . . . 42 LYS N . 16408 1 509 . 1 1 43 43 VAL H H 1 8.55 0.02 . 1 . . . . 43 VAL HN . 16408 1 510 . 1 1 43 43 VAL HA H 1 3.97 0.02 . 1 . . . . 43 VAL HA . 16408 1 511 . 1 1 43 43 VAL HB H 1 1.94 0.02 . 1 . . . . 43 VAL HB . 16408 1 512 . 1 1 43 43 VAL HG11 H 1 0.77 0.02 . 2 . . . . 43 VAL HG11 . 16408 1 513 . 1 1 43 43 VAL HG12 H 1 0.77 0.02 . 2 . . . . 43 VAL HG11 . 16408 1 514 . 1 1 43 43 VAL HG13 H 1 0.77 0.02 . 2 . . . . 43 VAL HG11 . 16408 1 515 . 1 1 43 43 VAL HG21 H 1 0.95 0.02 . 2 . . . . 43 VAL HG21 . 16408 1 516 . 1 1 43 43 VAL HG22 H 1 0.95 0.02 . 2 . . . . 43 VAL HG21 . 16408 1 517 . 1 1 43 43 VAL HG23 H 1 0.95 0.02 . 2 . . . . 43 VAL HG21 . 16408 1 518 . 1 1 43 43 VAL C C 13 175.82 0.15 . 1 . . . . 43 VAL C . 16408 1 519 . 1 1 43 43 VAL CA C 13 63.87 0.15 . 1 . . . . 43 VAL CA . 16408 1 520 . 1 1 43 43 VAL CB C 13 32.28 0.15 . 1 . . . . 43 VAL CB . 16408 1 521 . 1 1 43 43 VAL CG1 C 13 21.95 0.15 . 1 . . . . 43 VAL CG1 . 16408 1 522 . 1 1 43 43 VAL CG2 C 13 22.12 0.15 . 1 . . . . 43 VAL CG2 . 16408 1 523 . 1 1 43 43 VAL N N 15 124.68 0.15 . 1 . . . . 43 VAL N . 16408 1 524 . 1 1 44 44 MET H H 1 8.95 0.02 . 1 . . . . 44 MET HN . 16408 1 525 . 1 1 44 44 MET HA H 1 4.55 0.02 . 1 . . . . 44 MET HA . 16408 1 526 . 1 1 44 44 MET HB2 H 1 1.92 0.02 . 2 . . . . 44 MET HB2 . 16408 1 527 . 1 1 44 44 MET HB3 H 1 2.05 0.02 . 2 . . . . 44 MET HB3 . 16408 1 528 . 1 1 44 44 MET HE1 H 1 2.11 0.02 . 1 . . . . 44 MET HE1 . 16408 1 529 . 1 1 44 44 MET HE2 H 1 2.11 0.02 . 1 . . . . 44 MET HE1 . 16408 1 530 . 1 1 44 44 MET HE3 H 1 2.11 0.02 . 1 . . . . 44 MET HE1 . 16408 1 531 . 1 1 44 44 MET HG2 H 1 2.54 0.02 . 2 . . . . 44 MET HG2 . 16408 1 532 . 1 1 44 44 MET HG3 H 1 2.54 0.02 . 2 . . . . 44 MET HG3 . 16408 1 533 . 1 1 44 44 MET C C 13 173.45 0.15 . 1 . . . . 44 MET C . 16408 1 534 . 1 1 44 44 MET CA C 13 53.63 0.15 . 1 . . . . 44 MET CA . 16408 1 535 . 1 1 44 44 MET CB C 13 34.07 0.15 . 1 . . . . 44 MET CB . 16408 1 536 . 1 1 44 44 MET CE C 13 20.55 0.15 . 1 . . . . 44 MET CE . 16408 1 537 . 1 1 44 44 MET CG C 13 34.77 0.15 . 1 . . . . 44 MET CG . 16408 1 538 . 1 1 44 44 MET N N 15 127.22 0.15 . 1 . . . . 44 MET N . 16408 1 539 . 1 1 45 45 GLU H H 1 8.69 0.02 . 1 . . . . 45 GLU HN . 16408 1 540 . 1 1 45 45 GLU HA H 1 5.12 0.02 . 1 . . . . 45 GLU HA . 16408 1 541 . 1 1 45 45 GLU HB2 H 1 1.75 0.02 . 2 . . . . 45 GLU HB2 . 16408 1 542 . 1 1 45 45 GLU HB3 H 1 1.88 0.02 . 2 . . . . 45 GLU HB3 . 16408 1 543 . 1 1 45 45 GLU HG2 H 1 1.94 0.02 . 2 . . . . 45 GLU HG2 . 16408 1 544 . 1 1 45 45 GLU HG3 H 1 2.27 0.02 . 2 . . . . 45 GLU HG3 . 16408 1 545 . 1 1 45 45 GLU C C 13 176.29 0.15 . 1 . . . . 45 GLU C . 16408 1 546 . 1 1 45 45 GLU CA C 13 54.87 0.15 . 1 . . . . 45 GLU CA . 16408 1 547 . 1 1 45 45 GLU CB C 13 32.15 0.15 . 1 . . . . 45 GLU CB . 16408 1 548 . 1 1 45 45 GLU CG C 13 36.69 0.15 . 1 . . . . 45 GLU CG . 16408 1 549 . 1 1 45 45 GLU N N 15 122.60 0.15 . 1 . . . . 45 GLU N . 16408 1 550 . 1 1 46 46 THR H H 1 9.06 0.02 . 1 . . . . 46 THR HN . 16408 1 551 . 1 1 46 46 THR HA H 1 4.77 0.02 . 1 . . . . 46 THR HA . 16408 1 552 . 1 1 46 46 THR HB H 1 4.86 0.02 . 1 . . . . 46 THR HB . 16408 1 553 . 1 1 46 46 THR HG21 H 1 1.00 0.02 . 1 . . . . 46 THR HG21 . 16408 1 554 . 1 1 46 46 THR HG22 H 1 1.00 0.02 . 1 . . . . 46 THR HG21 . 16408 1 555 . 1 1 46 46 THR HG23 H 1 1.00 0.02 . 1 . . . . 46 THR HG21 . 16408 1 556 . 1 1 46 46 THR C C 13 176.66 0.15 . 1 . . . . 46 THR C . 16408 1 557 . 1 1 46 46 THR CA C 13 61.26 0.15 . 1 . . . . 46 THR CA . 16408 1 558 . 1 1 46 46 THR CB C 13 70.40 0.15 . 1 . . . . 46 THR CB . 16408 1 559 . 1 1 46 46 THR CG2 C 13 21.70 0.15 . 1 . . . . 46 THR CG2 . 16408 1 560 . 1 1 46 46 THR N N 15 116.56 0.15 . 1 . . . . 46 THR N . 16408 1 561 . 1 1 47 47 ARG H H 1 8.61 0.02 . 1 . . . . 47 ARG HN . 16408 1 562 . 1 1 47 47 ARG HA H 1 4.02 0.02 . 1 . . . . 47 ARG HA . 16408 1 563 . 1 1 47 47 ARG HB2 H 1 1.80 0.02 . 2 . . . . 47 ARG HB2 . 16408 1 564 . 1 1 47 47 ARG HB3 H 1 1.87 0.02 . 2 . . . . 47 ARG HB3 . 16408 1 565 . 1 1 47 47 ARG HD2 H 1 3.20 0.02 . 2 . . . . 47 ARG HD2 . 16408 1 566 . 1 1 47 47 ARG HD3 H 1 3.20 0.02 . 2 . . . . 47 ARG HD3 . 16408 1 567 . 1 1 47 47 ARG HG2 H 1 1.52 0.02 . 2 . . . . 47 ARG HG2 . 16408 1 568 . 1 1 47 47 ARG HG3 H 1 1.57 0.02 . 2 . . . . 47 ARG HG3 . 16408 1 569 . 1 1 47 47 ARG C C 13 176.48 0.15 . 1 . . . . 47 ARG C . 16408 1 570 . 1 1 47 47 ARG CA C 13 59.33 0.15 . 1 . . . . 47 ARG CA . 16408 1 571 . 1 1 47 47 ARG CB C 13 29.90 0.15 . 1 . . . . 47 ARG CB . 16408 1 572 . 1 1 47 47 ARG CD C 13 43.34 0.15 . 1 . . . . 47 ARG CD . 16408 1 573 . 1 1 47 47 ARG CG C 13 27.73 0.15 . 1 . . . . 47 ARG CG . 16408 1 574 . 1 1 47 47 ARG N N 15 119.63 0.15 . 1 . . . . 47 ARG N . 16408 1 575 . 1 1 48 48 ASP H H 1 7.88 0.02 . 1 . . . . 48 ASP HN . 16408 1 576 . 1 1 48 48 ASP HA H 1 4.72 0.02 . 1 . . . . 48 ASP HA . 16408 1 577 . 1 1 48 48 ASP HB2 H 1 2.64 0.02 . 2 . . . . 48 ASP HB2 . 16408 1 578 . 1 1 48 48 ASP HB3 H 1 2.93 0.02 . 2 . . . . 48 ASP HB3 . 16408 1 579 . 1 1 48 48 ASP C C 13 176.48 0.15 . 1 . . . . 48 ASP C . 16408 1 580 . 1 1 48 48 ASP CA C 13 53.38 0.15 . 1 . . . . 48 ASP CA . 16408 1 581 . 1 1 48 48 ASP CB C 13 40.77 0.15 . 1 . . . . 48 ASP CB . 16408 1 582 . 1 1 48 48 ASP N N 15 114.55 0.15 . 1 . . . . 48 ASP N . 16408 1 583 . 1 1 49 49 GLY H H 1 7.82 0.02 . 1 . . . . 49 GLY HN . 16408 1 584 . 1 1 49 49 GLY HA2 H 1 3.76 0.02 . 2 . . . . 49 GLY HA2 . 16408 1 585 . 1 1 49 49 GLY HA3 H 1 4.23 0.02 . 2 . . . . 49 GLY HA3 . 16408 1 586 . 1 1 49 49 GLY C C 13 174.56 0.15 . 1 . . . . 49 GLY C . 16408 1 587 . 1 1 49 49 GLY CA C 13 45.49 0.15 . 1 . . . . 49 GLY CA . 16408 1 588 . 1 1 49 49 GLY N N 15 107.97 0.15 . 1 . . . . 49 GLY N . 16408 1 589 . 1 1 50 50 THR H H 1 7.78 0.02 . 1 . . . . 50 THR HN . 16408 1 590 . 1 1 50 50 THR HA H 1 4.10 0.02 . 1 . . . . 50 THR HA . 16408 1 591 . 1 1 50 50 THR HB H 1 4.17 0.02 . 1 . . . . 50 THR HB . 16408 1 592 . 1 1 50 50 THR HG1 H 1 5.53 0.02 . 1 . . . . 50 THR HG1 . 16408 1 593 . 1 1 50 50 THR HG21 H 1 1.04 0.02 . 1 . . . . 50 THR HG21 . 16408 1 594 . 1 1 50 50 THR HG22 H 1 1.04 0.02 . 1 . . . . 50 THR HG21 . 16408 1 595 . 1 1 50 50 THR HG23 H 1 1.04 0.02 . 1 . . . . 50 THR HG21 . 16408 1 596 . 1 1 50 50 THR C C 13 173.33 0.15 . 1 . . . . 50 THR C . 16408 1 597 . 1 1 50 50 THR CA C 13 63.51 0.15 . 1 . . . . 50 THR CA . 16408 1 598 . 1 1 50 50 THR CB C 13 68.86 0.15 . 1 . . . . 50 THR CB . 16408 1 599 . 1 1 50 50 THR CG2 C 13 21.45 0.15 . 1 . . . . 50 THR CG2 . 16408 1 600 . 1 1 50 50 THR N N 15 118.50 0.15 . 1 . . . . 50 THR N . 16408 1 601 . 1 1 51 51 LYS H H 1 8.56 0.02 . 1 . . . . 51 LYS HN . 16408 1 602 . 1 1 51 51 LYS HA H 1 5.02 0.02 . 1 . . . . 51 LYS HA . 16408 1 603 . 1 1 51 51 LYS HB2 H 1 1.45 0.02 . 2 . . . . 51 LYS HB2 . 16408 1 604 . 1 1 51 51 LYS HB3 H 1 1.72 0.02 . 2 . . . . 51 LYS HB3 . 16408 1 605 . 1 1 51 51 LYS HD2 H 1 1.54 0.02 . 2 . . . . 51 LYS HD2 . 16408 1 606 . 1 1 51 51 LYS HD3 H 1 1.54 0.02 . 2 . . . . 51 LYS HD3 . 16408 1 607 . 1 1 51 51 LYS HE2 H 1 2.90 0.02 . 2 . . . . 51 LYS HE2 . 16408 1 608 . 1 1 51 51 LYS HE3 H 1 2.90 0.02 . 2 . . . . 51 LYS HE3 . 16408 1 609 . 1 1 51 51 LYS HG2 H 1 1.22 0.02 . 2 . . . . 51 LYS HG2 . 16408 1 610 . 1 1 51 51 LYS HG3 H 1 1.46 0.02 . 2 . . . . 51 LYS HG3 . 16408 1 611 . 1 1 51 51 LYS C C 13 176.00 0.15 . 1 . . . . 51 LYS C . 16408 1 612 . 1 1 51 51 LYS CA C 13 55.23 0.15 . 1 . . . . 51 LYS CA . 16408 1 613 . 1 1 51 51 LYS CB C 13 33.57 0.15 . 1 . . . . 51 LYS CB . 16408 1 614 . 1 1 51 51 LYS CD C 13 29.05 0.15 . 1 . . . . 51 LYS CD . 16408 1 615 . 1 1 51 51 LYS CE C 13 42.28 0.15 . 1 . . . . 51 LYS CE . 16408 1 616 . 1 1 51 51 LYS CG C 13 25.64 0.15 . 1 . . . . 51 LYS CG . 16408 1 617 . 1 1 51 51 LYS N N 15 125.29 0.15 . 1 . . . . 51 LYS N . 16408 1 618 . 1 1 52 52 ILE H H 1 8.88 0.02 . 1 . . . . 52 ILE HN . 16408 1 619 . 1 1 52 52 ILE HA H 1 4.19 0.02 . 1 . . . . 52 ILE HA . 16408 1 620 . 1 1 52 52 ILE HB H 1 1.22 0.02 . 1 . . . . 52 ILE HB . 16408 1 621 . 1 1 52 52 ILE HD11 H 1 -0.07 0.02 . 1 . . . . 52 ILE HD11 . 16408 1 622 . 1 1 52 52 ILE HD12 H 1 -0.07 0.02 . 1 . . . . 52 ILE HD11 . 16408 1 623 . 1 1 52 52 ILE HD13 H 1 -0.07 0.02 . 1 . . . . 52 ILE HD11 . 16408 1 624 . 1 1 52 52 ILE HG12 H 1 0.58 0.02 . 1 . . . . 52 ILE HG12 . 16408 1 625 . 1 1 52 52 ILE HG13 H 1 0.84 0.02 . 1 . . . . 52 ILE HG13 . 16408 1 626 . 1 1 52 52 ILE HG21 H 1 0.53 0.02 . 2 . . . . 52 ILE HG21 . 16408 1 627 . 1 1 52 52 ILE HG22 H 1 0.53 0.02 . 2 . . . . 52 ILE HG21 . 16408 1 628 . 1 1 52 52 ILE HG23 H 1 0.53 0.02 . 2 . . . . 52 ILE HG21 . 16408 1 629 . 1 1 52 52 ILE C C 13 174.77 0.15 . 1 . . . . 52 ILE C . 16408 1 630 . 1 1 52 52 ILE CA C 13 59.45 0.15 . 1 . . . . 52 ILE CA . 16408 1 631 . 1 1 52 52 ILE CB C 13 41.77 0.15 . 1 . . . . 52 ILE CB . 16408 1 632 . 1 1 52 52 ILE CD1 C 13 12.74 0.15 . 1 . . . . 52 ILE CD1 . 16408 1 633 . 1 1 52 52 ILE CG1 C 13 26.61 0.15 . 2 . . . . 52 ILE CG1 . 16408 1 634 . 1 1 52 52 ILE CG2 C 13 17.51 0.15 . 2 . . . . 52 ILE CG2 . 16408 1 635 . 1 1 52 52 ILE N N 15 123.63 0.15 . 1 . . . . 52 ILE N . 16408 1 636 . 1 1 53 53 ILE H H 1 8.55 0.02 . 1 . . . . 53 ILE HN . 16408 1 637 . 1 1 53 53 ILE HA H 1 4.05 0.02 . 1 . . . . 53 ILE HA . 16408 1 638 . 1 1 53 53 ILE HB H 1 1.69 0.02 . 1 . . . . 53 ILE HB . 16408 1 639 . 1 1 53 53 ILE HD11 H 1 0.76 0.02 . 1 . . . . 53 ILE HD11 . 16408 1 640 . 1 1 53 53 ILE HD12 H 1 0.76 0.02 . 1 . . . . 53 ILE HD11 . 16408 1 641 . 1 1 53 53 ILE HD13 H 1 0.76 0.02 . 1 . . . . 53 ILE HD11 . 16408 1 642 . 1 1 53 53 ILE HG12 H 1 1.12 0.02 . 1 . . . . 53 ILE HG12 . 16408 1 643 . 1 1 53 53 ILE HG13 H 1 1.48 0.02 . 1 . . . . 53 ILE HG13 . 16408 1 644 . 1 1 53 53 ILE HG21 H 1 0.76 0.02 . 2 . . . . 53 ILE HG21 . 16408 1 645 . 1 1 53 53 ILE HG22 H 1 0.76 0.02 . 2 . . . . 53 ILE HG21 . 16408 1 646 . 1 1 53 53 ILE HG23 H 1 0.76 0.02 . 2 . . . . 53 ILE HG21 . 16408 1 647 . 1 1 53 53 ILE C C 13 176.36 0.15 . 1 . . . . 53 ILE C . 16408 1 648 . 1 1 53 53 ILE CA C 13 60.63 0.15 . 1 . . . . 53 ILE CA . 16408 1 649 . 1 1 53 53 ILE CB C 13 37.66 0.15 . 1 . . . . 53 ILE CB . 16408 1 650 . 1 1 53 53 ILE CD1 C 13 12.43 0.15 . 1 . . . . 53 ILE CD1 . 16408 1 651 . 1 1 53 53 ILE CG1 C 13 28.36 0.15 . 2 . . . . 53 ILE CG1 . 16408 1 652 . 1 1 53 53 ILE CG2 C 13 17.84 0.15 . 2 . . . . 53 ILE CG2 . 16408 1 653 . 1 1 53 53 ILE N N 15 128.18 0.15 . 1 . . . . 53 ILE N . 16408 1 654 . 1 1 54 54 MET H H 1 8.88 0.02 . 1 . . . . 54 MET HN . 16408 1 655 . 1 1 54 54 MET HA H 1 4.25 0.02 . 1 . . . . 54 MET HA . 16408 1 656 . 1 1 54 54 MET HB2 H 1 1.82 0.02 . 2 . . . . 54 MET HB2 . 16408 1 657 . 1 1 54 54 MET HB3 H 1 2.60 0.02 . 2 . . . . 54 MET HB3 . 16408 1 658 . 1 1 54 54 MET HE1 H 1 2.38 0.02 . 1 . . . . 54 MET HE1 . 16408 1 659 . 1 1 54 54 MET HE2 H 1 2.38 0.02 . 1 . . . . 54 MET HE1 . 16408 1 660 . 1 1 54 54 MET HE3 H 1 2.38 0.02 . 1 . . . . 54 MET HE1 . 16408 1 661 . 1 1 54 54 MET HG2 H 1 2.68 0.02 . 2 . . . . 54 MET HG2 . 16408 1 662 . 1 1 54 54 MET HG3 H 1 3.08 0.02 . 2 . . . . 54 MET HG3 . 16408 1 663 . 1 1 54 54 MET CA C 13 56.42 0.15 . 1 . . . . 54 MET CA . 16408 1 664 . 1 1 54 54 MET CB C 13 31.64 0.15 . 1 . . . . 54 MET CB . 16408 1 665 . 1 1 54 54 MET CE C 13 22.09 0.15 . 1 . . . . 54 MET CE . 16408 1 666 . 1 1 54 54 MET CG C 13 35.47 0.15 . 1 . . . . 54 MET CG . 16408 1 667 . 1 1 54 54 MET N N 15 126.15 0.15 . 1 . . . . 54 MET N . 16408 1 668 . 1 1 57 57 ASN H H 1 8.75 0.02 . 1 . . . . 57 ASN HN . 16408 1 669 . 1 1 57 57 ASN HA H 1 4.95 0.02 . 1 . . . . 57 ASN HA . 16408 1 670 . 1 1 57 57 ASN HB2 H 1 2.65 0.02 . 2 . . . . 57 ASN HB2 . 16408 1 671 . 1 1 57 57 ASN HB3 H 1 3.03 0.02 . 2 . . . . 57 ASN HB3 . 16408 1 672 . 1 1 57 57 ASN HD21 H 1 7.47 0.02 . 2 . . . . 57 ASN HD21 . 16408 1 673 . 1 1 57 57 ASN HD22 H 1 7.18 0.02 . 2 . . . . 57 ASN HD22 . 16408 1 674 . 1 1 57 57 ASN CA C 13 53.58 0.15 . 1 . . . . 57 ASN CA . 16408 1 675 . 1 1 57 57 ASN CB C 13 39.34 0.15 . 1 . . . . 57 ASN CB . 16408 1 676 . 1 1 57 57 ASN N N 15 123.47 0.15 . 1 . . . . 57 ASN N . 16408 1 677 . 1 1 57 57 ASN ND2 N 15 112.18 0.15 . 1 . . . . 57 ASN ND2 . 16408 1 678 . 1 1 58 58 GLU H H 1 8.57 0.02 . 1 . . . . 58 GLU HN . 16408 1 679 . 1 1 58 58 GLU HA H 1 4.74 0.02 . 1 . . . . 58 GLU HA . 16408 1 680 . 1 1 58 58 GLU HB2 H 1 1.47 0.02 . 2 . . . . 58 GLU HB2 . 16408 1 681 . 1 1 58 58 GLU HB3 H 1 1.61 0.02 . 2 . . . . 58 GLU HB3 . 16408 1 682 . 1 1 58 58 GLU HG2 H 1 1.76 0.02 . 2 . . . . 58 GLU HG2 . 16408 1 683 . 1 1 58 58 GLU HG3 H 1 2.10 0.02 . 2 . . . . 58 GLU HG3 . 16408 1 684 . 1 1 58 58 GLU CA C 13 55.20 0.15 . 1 . . . . 58 GLU CA . 16408 1 685 . 1 1 58 58 GLU CB C 13 24.90 0.15 . 1 . . . . 58 GLU CB . 16408 1 686 . 1 1 58 58 GLU CG C 13 34.16 0.15 . 1 . . . . 58 GLU CG . 16408 1 687 . 1 1 58 58 GLU N N 15 116.31 0.15 . 1 . . . . 58 GLU N . 16408 1 688 . 1 1 59 59 ILE H H 1 7.99 0.02 . 1 . . . . 59 ILE HN . 16408 1 689 . 1 1 59 59 ILE HA H 1 3.97 0.02 . 1 . . . . 59 ILE HA . 16408 1 690 . 1 1 59 59 ILE HB H 1 1.72 0.02 . 1 . . . . 59 ILE HB . 16408 1 691 . 1 1 59 59 ILE HD11 H 1 0.76 0.02 . 1 . . . . 59 ILE HD11 . 16408 1 692 . 1 1 59 59 ILE HD12 H 1 0.76 0.02 . 1 . . . . 59 ILE HD11 . 16408 1 693 . 1 1 59 59 ILE HD13 H 1 0.76 0.02 . 1 . . . . 59 ILE HD11 . 16408 1 694 . 1 1 59 59 ILE HG12 H 1 1.06 0.02 . 1 . . . . 59 ILE HG12 . 16408 1 695 . 1 1 59 59 ILE HG13 H 1 1.34 0.02 . 1 . . . . 59 ILE HG13 . 16408 1 696 . 1 1 59 59 ILE HG21 H 1 0.78 0.02 . 2 . . . . 59 ILE HG21 . 16408 1 697 . 1 1 59 59 ILE HG22 H 1 0.78 0.02 . 2 . . . . 59 ILE HG21 . 16408 1 698 . 1 1 59 59 ILE HG23 H 1 0.78 0.02 . 2 . . . . 59 ILE HG21 . 16408 1 699 . 1 1 59 59 ILE CA C 13 62.11 0.15 . 1 . . . . 59 ILE CA . 16408 1 700 . 1 1 59 59 ILE CB C 13 38.46 0.15 . 1 . . . . 59 ILE CB . 16408 1 701 . 1 1 59 59 ILE CD1 C 13 12.88 0.15 . 1 . . . . 59 ILE CD1 . 16408 1 702 . 1 1 59 59 ILE CG1 C 13 27.27 0.15 . 2 . . . . 59 ILE CG1 . 16408 1 703 . 1 1 59 59 ILE CG2 C 13 17.55 0.15 . 1 . . . . 59 ILE CG2 . 16408 1 704 . 1 1 59 59 ILE N N 15 122.32 0.15 . 1 . . . . 59 ILE N . 16408 1 705 . 1 1 60 60 PHE H H 1 8.21 0.02 . 1 . . . . 60 PHE HN . 16408 1 706 . 1 1 60 60 PHE HA H 1 4.57 0.02 . 1 . . . . 60 PHE HA . 16408 1 707 . 1 1 60 60 PHE HB2 H 1 3.00 0.02 . 2 . . . . 60 PHE HB2 . 16408 1 708 . 1 1 60 60 PHE HB3 H 1 3.10 0.02 . 2 . . . . 60 PHE HB3 . 16408 1 709 . 1 1 60 60 PHE HD1 H 1 7.22 0.02 . 3 . . . . 60 PHE HD1 . 16408 1 710 . 1 1 60 60 PHE HD2 H 1 7.22 0.02 . 3 . . . . 60 PHE HD2 . 16408 1 711 . 1 1 60 60 PHE HE1 H 1 7.26 0.02 . 3 . . . . 60 PHE HE1 . 16408 1 712 . 1 1 60 60 PHE HE2 H 1 7.26 0.02 . 3 . . . . 60 PHE HE2 . 16408 1 713 . 1 1 60 60 PHE HZ H 1 7.19 0.02 . 1 . . . . 60 PHE HZ . 16408 1 714 . 1 1 60 60 PHE CA C 13 58.40 0.15 . 1 . . . . 60 PHE CA . 16408 1 715 . 1 1 60 60 PHE CB C 13 39.32 0.15 . 1 . . . . 60 PHE CB . 16408 1 716 . 1 1 60 60 PHE N N 15 123.01 0.15 . 1 . . . . 60 PHE N . 16408 1 717 . 1 1 61 61 ARG H H 1 8.04 0.02 . 1 . . . . 61 ARG HN . 16408 1 718 . 1 1 61 61 ARG HA H 1 4.22 0.02 . 1 . . . . 61 ARG HA . 16408 1 719 . 1 1 61 61 ARG HB2 H 1 1.61 0.02 . 2 . . . . 61 ARG HB2 . 16408 1 720 . 1 1 61 61 ARG HB3 H 1 1.66 0.02 . 2 . . . . 61 ARG HB3 . 16408 1 721 . 1 1 61 61 ARG HD2 H 1 2.71 0.02 . 2 . . . . 61 ARG HD2 . 16408 1 722 . 1 1 61 61 ARG HD3 H 1 2.92 0.02 . 2 . . . . 61 ARG HD3 . 16408 1 723 . 1 1 61 61 ARG HG2 H 1 1.44 0.02 . 2 . . . . 61 ARG HG2 . 16408 1 724 . 1 1 61 61 ARG HG3 H 1 1.52 0.02 . 2 . . . . 61 ARG HG3 . 16408 1 725 . 1 1 61 61 ARG CA C 13 56.82 0.15 . 1 . . . . 61 ARG CA . 16408 1 726 . 1 1 61 61 ARG CB C 13 31.37 0.15 . 1 . . . . 61 ARG CB . 16408 1 727 . 1 1 61 61 ARG CD C 13 43.30 0.15 . 1 . . . . 61 ARG CD . 16408 1 728 . 1 1 61 61 ARG CG C 13 27.02 0.15 . 1 . . . . 61 ARG CG . 16408 1 729 . 1 1 61 61 ARG N N 15 121.62 0.15 . 1 . . . . 61 ARG N . 16408 1 730 . 1 1 62 62 LEU H H 1 8.16 0.02 . 1 . . . . 62 LEU HN . 16408 1 731 . 1 1 62 62 LEU HA H 1 4.27 0.02 . 1 . . . . 62 LEU HA . 16408 1 732 . 1 1 62 62 LEU HB2 H 1 1.62 0.02 . 2 . . . . 62 LEU HB2 . 16408 1 733 . 1 1 62 62 LEU HB3 H 1 1.66 0.02 . 2 . . . . 62 LEU HB3 . 16408 1 734 . 1 1 62 62 LEU HD11 H 1 0.86 0.02 . 2 . . . . 62 LEU HD11 . 16408 1 735 . 1 1 62 62 LEU HD12 H 1 0.86 0.02 . 2 . . . . 62 LEU HD11 . 16408 1 736 . 1 1 62 62 LEU HD13 H 1 0.86 0.02 . 2 . . . . 62 LEU HD11 . 16408 1 737 . 1 1 62 62 LEU HD21 H 1 0.84 0.02 . 2 . . . . 62 LEU HD21 . 16408 1 738 . 1 1 62 62 LEU HD22 H 1 0.84 0.02 . 2 . . . . 62 LEU HD21 . 16408 1 739 . 1 1 62 62 LEU HD23 H 1 0.84 0.02 . 2 . . . . 62 LEU HD21 . 16408 1 740 . 1 1 62 62 LEU HG H 1 1.63 0.02 . 1 . . . . 62 LEU HG . 16408 1 741 . 1 1 62 62 LEU C C 13 177.13 0.15 . 1 . . . . 62 LEU C . 16408 1 742 . 1 1 62 62 LEU CA C 13 55.77 0.15 . 1 . . . . 62 LEU CA . 16408 1 743 . 1 1 62 62 LEU CB C 13 42.28 0.15 . 1 . . . . 62 LEU CB . 16408 1 744 . 1 1 62 62 LEU CD1 C 13 24.87 0.15 . 1 . . . . 62 LEU CD1 . 16408 1 745 . 1 1 62 62 LEU CD2 C 13 24.49 0.15 . 1 . . . . 62 LEU CD2 . 16408 1 746 . 1 1 62 62 LEU CG C 13 27.08 0.15 . 1 . . . . 62 LEU CG . 16408 1 747 . 1 1 62 62 LEU N N 15 122.40 0.15 . 1 . . . . 62 LEU N . 16408 1 748 . 1 1 63 63 ASP H H 1 8.29 0.02 . 1 . . . . 63 ASP HN . 16408 1 749 . 1 1 63 63 ASP HA H 1 4.49 0.02 . 1 . . . . 63 ASP HA . 16408 1 750 . 1 1 63 63 ASP HB2 H 1 2.67 0.02 . 2 . . . . 63 ASP HB2 . 16408 1 751 . 1 1 63 63 ASP HB3 H 1 2.68 0.02 . 2 . . . . 63 ASP HB3 . 16408 1 752 . 1 1 63 63 ASP C C 13 177.26 0.15 . 1 . . . . 63 ASP C . 16408 1 753 . 1 1 63 63 ASP CA C 13 55.46 0.15 . 1 . . . . 63 ASP CA . 16408 1 754 . 1 1 63 63 ASP CB C 13 40.96 0.15 . 1 . . . . 63 ASP CB . 16408 1 755 . 1 1 63 63 ASP N N 15 120.46 0.15 . 1 . . . . 63 ASP N . 16408 1 756 . 1 1 64 64 GLU H H 1 8.14 0.02 . 1 . . . . 64 GLU HN . 16408 1 757 . 1 1 64 64 GLU HA H 1 4.07 0.02 . 1 . . . . 64 GLU HA . 16408 1 758 . 1 1 64 64 GLU HB2 H 1 1.97 0.02 . 2 . . . . 64 GLU HB2 . 16408 1 759 . 1 1 64 64 GLU HB3 H 1 2.01 0.02 . 2 . . . . 64 GLU HB3 . 16408 1 760 . 1 1 64 64 GLU HG2 H 1 2.21 0.02 . 2 . . . . 64 GLU HG2 . 16408 1 761 . 1 1 64 64 GLU HG3 H 1 2.24 0.02 . 2 . . . . 64 GLU HG3 . 16408 1 762 . 1 1 64 64 GLU C C 13 177.31 0.15 . 1 . . . . 64 GLU C . 16408 1 763 . 1 1 64 64 GLU CA C 13 58.08 0.15 . 1 . . . . 64 GLU CA . 16408 1 764 . 1 1 64 64 GLU CB C 13 30.06 0.15 . 1 . . . . 64 GLU CB . 16408 1 765 . 1 1 64 64 GLU CG C 13 36.43 0.15 . 1 . . . . 64 GLU CG . 16408 1 766 . 1 1 64 64 GLU N N 15 121.00 0.15 . 1 . . . . 64 GLU N . 16408 1 767 . 1 1 65 65 ALA H H 1 8.12 0.02 . 1 . . . . 65 ALA HN . 16408 1 768 . 1 1 65 65 ALA HA H 1 4.18 0.02 . 1 . . . . 65 ALA HA . 16408 1 769 . 1 1 65 65 ALA HB1 H 1 1.42 0.02 . 1 . . . . 65 ALA HB1 . 16408 1 770 . 1 1 65 65 ALA HB2 H 1 1.42 0.02 . 1 . . . . 65 ALA HB1 . 16408 1 771 . 1 1 65 65 ALA HB3 H 1 1.42 0.02 . 1 . . . . 65 ALA HB1 . 16408 1 772 . 1 1 65 65 ALA C C 13 178.89 0.15 . 1 . . . . 65 ALA C . 16408 1 773 . 1 1 65 65 ALA CA C 13 53.84 0.15 . 1 . . . . 65 ALA CA . 16408 1 774 . 1 1 65 65 ALA CB C 13 18.75 0.15 . 1 . . . . 65 ALA CB . 16408 1 775 . 1 1 65 65 ALA N N 15 122.79 0.15 . 1 . . . . 65 ALA N . 16408 1 776 . 1 1 66 66 LEU H H 1 8.05 0.02 . 1 . . . . 66 LEU HN . 16408 1 777 . 1 1 66 66 LEU HA H 1 4.22 0.02 . 1 . . . . 66 LEU HA . 16408 1 778 . 1 1 66 66 LEU HB2 H 1 1.56 0.02 . 2 . . . . 66 LEU HB2 . 16408 1 779 . 1 1 66 66 LEU HB3 H 1 1.72 0.02 . 2 . . . . 66 LEU HB3 . 16408 1 780 . 1 1 66 66 LEU HD11 H 1 0.81 0.02 . 2 . . . . 66 LEU HD11 . 16408 1 781 . 1 1 66 66 LEU HD12 H 1 0.81 0.02 . 2 . . . . 66 LEU HD11 . 16408 1 782 . 1 1 66 66 LEU HD13 H 1 0.81 0.02 . 2 . . . . 66 LEU HD11 . 16408 1 783 . 1 1 66 66 LEU HD21 H 1 0.87 0.02 . 2 . . . . 66 LEU HD21 . 16408 1 784 . 1 1 66 66 LEU HD22 H 1 0.87 0.02 . 2 . . . . 66 LEU HD21 . 16408 1 785 . 1 1 66 66 LEU HD23 H 1 0.87 0.02 . 2 . . . . 66 LEU HD21 . 16408 1 786 . 1 1 66 66 LEU HG H 1 1.63 0.02 . 1 . . . . 66 LEU HG . 16408 1 787 . 1 1 66 66 LEU C C 13 178.01 0.15 . 1 . . . . 66 LEU C . 16408 1 788 . 1 1 66 66 LEU CA C 13 55.77 0.15 . 1 . . . . 66 LEU CA . 16408 1 789 . 1 1 66 66 LEU CB C 13 42.13 0.15 . 1 . . . . 66 LEU CB . 16408 1 790 . 1 1 66 66 LEU CD1 C 13 23.11 0.15 . 1 . . . . 66 LEU CD1 . 16408 1 791 . 1 1 66 66 LEU CD2 C 13 25.19 0.15 . 1 . . . . 66 LEU CD2 . 16408 1 792 . 1 1 66 66 LEU CG C 13 26.97 0.15 . 1 . . . . 66 LEU CG . 16408 1 793 . 1 1 66 66 LEU N N 15 118.68 0.15 . 1 . . . . 66 LEU N . 16408 1 794 . 1 1 67 67 ARG H H 1 7.88 0.02 . 1 . . . . 67 ARG HN . 16408 1 795 . 1 1 67 67 ARG HA H 1 4.21 0.02 . 1 . . . . 67 ARG HA . 16408 1 796 . 1 1 67 67 ARG HB2 H 1 1.80 0.02 . 2 . . . . 67 ARG HB2 . 16408 1 797 . 1 1 67 67 ARG HB3 H 1 1.85 0.02 . 2 . . . . 67 ARG HB3 . 16408 1 798 . 1 1 67 67 ARG HD2 H 1 3.17 0.02 . 2 . . . . 67 ARG HD2 . 16408 1 799 . 1 1 67 67 ARG HD3 H 1 3.17 0.02 . 2 . . . . 67 ARG HD3 . 16408 1 800 . 1 1 67 67 ARG HG2 H 1 1.58 0.02 . 2 . . . . 67 ARG HG2 . 16408 1 801 . 1 1 67 67 ARG HG3 H 1 1.66 0.02 . 2 . . . . 67 ARG HG3 . 16408 1 802 . 1 1 67 67 ARG CA C 13 56.74 0.15 . 1 . . . . 67 ARG CA . 16408 1 803 . 1 1 67 67 ARG CB C 13 30.63 0.15 . 1 . . . . 67 ARG CB . 16408 1 804 . 1 1 67 67 ARG CD C 13 43.48 0.15 . 1 . . . . 67 ARG CD . 16408 1 805 . 1 1 67 67 ARG CG C 13 27.39 0.15 . 1 . . . . 67 ARG CG . 16408 1 806 . 1 1 67 67 ARG N N 15 120.14 0.15 . 1 . . . . 67 ARG N . 16408 1 807 . 1 1 68 68 LYS H H 1 8.11 0.02 . 1 . . . . 68 LYS HN . 16408 1 808 . 1 1 68 68 LYS N N 15 121.55 0.15 . 1 . . . . 68 LYS N . 16408 1 809 . 1 1 69 69 GLY H H 1 8.36 0.02 . 1 . . . . 69 GLY HN . 16408 1 810 . 1 1 69 69 GLY N N 15 109.61 0.15 . 1 . . . . 69 GLY N . 16408 1 811 . 1 1 70 70 HIS H H 1 8.26 0.02 . 1 . . . . 70 HIS HN . 16408 1 812 . 1 1 70 70 HIS HA H 1 4.69 0.02 . 1 . . . . 70 HIS HA . 16408 1 813 . 1 1 70 70 HIS HB2 H 1 3.14 0.02 . 2 . . . . 70 HIS HB2 . 16408 1 814 . 1 1 70 70 HIS HB3 H 1 3.24 0.02 . 2 . . . . 70 HIS HB3 . 16408 1 815 . 1 1 70 70 HIS HD2 H 1 7.24 0.02 . 3 . . . . 70 HIS HD2 . 16408 1 816 . 1 1 70 70 HIS HE1 H 1 8.50 0.02 . 3 . . . . 70 HIS HE1 . 16408 1 817 . 1 1 70 70 HIS CA C 13 55.98 0.15 . 1 . . . . 70 HIS CA . 16408 1 818 . 1 1 70 70 HIS CB C 13 29.94 0.15 . 1 . . . . 70 HIS CB . 16408 1 819 . 1 1 70 70 HIS N N 15 118.88 0.15 . 1 . . . . 70 HIS N . 16408 1 820 . 1 1 71 71 SER HA H 1 4.46 0.02 . 1 . . . . 71 SER HA . 16408 1 821 . 1 1 71 71 SER HB2 H 1 3.85 0.02 . 2 . . . . 71 SER HB2 . 16408 1 822 . 1 1 71 71 SER HB3 H 1 3.85 0.02 . 2 . . . . 71 SER HB3 . 16408 1 823 . 1 1 71 71 SER C C 13 174.49 0.15 . 1 . . . . 71 SER C . 16408 1 824 . 1 1 71 71 SER CA C 13 58.44 0.15 . 1 . . . . 71 SER CA . 16408 1 825 . 1 1 71 71 SER CB C 13 63.91 0.15 . 1 . . . . 71 SER CB . 16408 1 826 . 1 1 72 72 GLU H H 1 8.59 0.02 . 1 . . . . 72 GLU HN . 16408 1 827 . 1 1 72 72 GLU HA H 1 4.32 0.02 . 1 . . . . 72 GLU HA . 16408 1 828 . 1 1 72 72 GLU HB2 H 1 1.94 0.02 . 2 . . . . 72 GLU HB2 . 16408 1 829 . 1 1 72 72 GLU HB3 H 1 2.09 0.02 . 2 . . . . 72 GLU HB3 . 16408 1 830 . 1 1 72 72 GLU HG2 H 1 2.27 0.02 . 2 . . . . 72 GLU HG2 . 16408 1 831 . 1 1 72 72 GLU HG3 H 1 2.27 0.02 . 2 . . . . 72 GLU HG3 . 16408 1 832 . 1 1 72 72 GLU C C 13 176.87 0.15 . 1 . . . . 72 GLU C . 16408 1 833 . 1 1 72 72 GLU CA C 13 56.92 0.15 . 1 . . . . 72 GLU CA . 16408 1 834 . 1 1 72 72 GLU CB C 13 30.16 0.15 . 1 . . . . 72 GLU CB . 16408 1 835 . 1 1 72 72 GLU CG C 13 36.31 0.15 . 1 . . . . 72 GLU CG . 16408 1 836 . 1 1 72 72 GLU N N 15 122.98 0.15 . 1 . . . . 72 GLU N . 16408 1 837 . 1 1 73 73 GLY H H 1 8.40 0.02 . 1 . . . . 73 GLY HN . 16408 1 838 . 1 1 73 73 GLY HA2 H 1 3.92 0.02 . 2 . . . . 73 GLY HA2 . 16408 1 839 . 1 1 73 73 GLY HA3 H 1 3.99 0.02 . 2 . . . . 73 GLY HA3 . 16408 1 840 . 1 1 73 73 GLY C C 13 173.68 0.15 . 1 . . . . 73 GLY C . 16408 1 841 . 1 1 73 73 GLY CA C 13 45.38 0.15 . 1 . . . . 73 GLY CA . 16408 1 842 . 1 1 73 73 GLY N N 15 110.17 0.15 . 1 . . . . 73 GLY N . 16408 1 843 . 1 1 74 74 GLY H H 1 7.91 0.02 . 1 . . . . 74 GLY HN . 16408 1 844 . 1 1 74 74 GLY HA2 H 1 3.75 0.02 . 2 . . . . 74 GLY HA2 . 16408 1 845 . 1 1 74 74 GLY HA3 H 1 3.75 0.02 . 2 . . . . 74 GLY HA3 . 16408 1 846 . 1 1 74 74 GLY CA C 13 46.09 0.15 . 1 . . . . 74 GLY CA . 16408 1 847 . 1 1 74 74 GLY N N 15 115.23 0.15 . 1 . . . . 74 GLY N . 16408 1 stop_ save_