data_6407 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6407 _Entry.Title ; 1H, 15N resonance assignment of the C-terminal domain of Human Papillomavirus Oncoprotein E6 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-12-02 _Entry.Accession_date 2004-12-02 _Entry.Last_release_date 2005-03-18 _Entry.Original_release_date 2005-03-18 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Yves Nomine . . . 6407 2 Gilles Trave . . . 6407 3 Bruno Kieffer . . . 6407 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6407 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 78 6407 '1H chemical shifts' 513 6407 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2005-03-18 2004-12-02 original author . 6407 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2FK4 'BMRB Entry Tracking System' 6407 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6407 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; 1H and 15N resonance assignment, secondary structure and dynamic behaviour of the C-terminal domain of human papillomavirus Oncoprotein E6 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 31 _Citation.Journal_issue 2 _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 129 _Citation.Page_last 141 _Citation.Year 2005 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Yves Nomine . . . 6407 1 2 Sebastian Charbonnier . . . 6407 1 3 Laurent Miguet . . . 6407 1 4 Noelle Potier . . . 6407 1 5 Alain 'Van Dorsselaer' . . . 6407 1 6 R. Atkinson . Andrew . 6407 1 7 Gilles Trave . . . 6407 1 8 Bruno Kieffer . . . 6407 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID '3-D NMR' 6407 1 'C-terminal domain' 6407 1 dynamics 6407 1 'HPV oncoprotein E6' 6407 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6407 _Assembly.ID 1 _Assembly.Name 'HPV16 E6 C-terminal domain' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all other bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID protein 6407 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'HPV16 E6 C-terminal domain' 1 $E6-C_4C-4S . . . native . . . . . 6407 1 2 'ZINC (II) ION' 2 $ZN . . . native . . . . . 6407 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 1 . 1 CYS 27 27 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 6407 1 2 coordination single . 1 . 1 CYS 30 30 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 6407 1 3 coordination single . 1 . 1 CYS 60 60 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 6407 1 4 coordination single . 1 . 1 CYS 63 63 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 6407 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'HPV16 E6 C-terminal domain' abbreviation 6407 1 'HPV16 E6 C-terminal domain' system 6407 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'induced the p53 ubiquitination' 6407 1 oncoprotein 6407 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_E6-C_4C-4S _Entity.Sf_category entity _Entity.Sf_framecode E6-C_4C-4S _Entity.Entry_ID 6407 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'C terminal domain of E6' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GAMSYSLYGTTLEQQYNKPL SDLLIRCINCQKPLSPEEKQ RHLDKKQRFHNIRGRWTGRC MSCSRSSRTRRETQL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 75 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all other bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date 2010-09-19 _Entity.DB_query_revised_last_date 2008-08-19 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 . . PDB 2FK4 . 'Solution Structure Of The C-Terminal Zinc Binding Domain Of The Hpv16 E6 Oncoprotein' . . . . . 100.00 75 100.00 100.00 6.69e-37 . . . . 6407 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'C terminal domain of E6' common 6407 1 'E6 C-terminal domain' abbreviation 6407 1 'E6 C-terminal domain' variant 6407 1 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'C-terminal domain of Human Papillomavirus oncoprotein E6' . 6407 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 77 GLY . 6407 1 2 78 ALA . 6407 1 3 79 MET . 6407 1 4 80 SER . 6407 1 5 81 TYR . 6407 1 6 82 SER . 6407 1 7 83 LEU . 6407 1 8 84 TYR . 6407 1 9 85 GLY . 6407 1 10 86 THR . 6407 1 11 87 THR . 6407 1 12 88 LEU . 6407 1 13 89 GLU . 6407 1 14 90 GLN . 6407 1 15 91 GLN . 6407 1 16 92 TYR . 6407 1 17 93 ASN . 6407 1 18 94 LYS . 6407 1 19 95 PRO . 6407 1 20 96 LEU . 6407 1 21 97 SER . 6407 1 22 98 ASP . 6407 1 23 99 LEU . 6407 1 24 100 LEU . 6407 1 25 101 ILE . 6407 1 26 102 ARG . 6407 1 27 103 CYS . 6407 1 28 104 ILE . 6407 1 29 105 ASN . 6407 1 30 106 CYS . 6407 1 31 107 GLN . 6407 1 32 108 LYS . 6407 1 33 109 PRO . 6407 1 34 110 LEU . 6407 1 35 111 SER . 6407 1 36 112 PRO . 6407 1 37 113 GLU . 6407 1 38 114 GLU . 6407 1 39 115 LYS . 6407 1 40 116 GLN . 6407 1 41 117 ARG . 6407 1 42 118 HIS . 6407 1 43 119 LEU . 6407 1 44 120 ASP . 6407 1 45 121 LYS . 6407 1 46 122 LYS . 6407 1 47 123 GLN . 6407 1 48 124 ARG . 6407 1 49 125 PHE . 6407 1 50 126 HIS . 6407 1 51 127 ASN . 6407 1 52 128 ILE . 6407 1 53 129 ARG . 6407 1 54 130 GLY . 6407 1 55 131 ARG . 6407 1 56 132 TRP . 6407 1 57 133 THR . 6407 1 58 134 GLY . 6407 1 59 135 ARG . 6407 1 60 136 CYS . 6407 1 61 137 MET . 6407 1 62 138 SER . 6407 1 63 139 CYS . 6407 1 64 140 SER . 6407 1 65 141 ARG . 6407 1 66 142 SER . 6407 1 67 143 SER . 6407 1 68 144 ARG . 6407 1 69 145 THR . 6407 1 70 146 ARG . 6407 1 71 147 ARG . 6407 1 72 148 GLU . 6407 1 73 149 THR . 6407 1 74 150 GLN . 6407 1 75 151 LEU . 6407 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 6407 1 . ALA 2 2 6407 1 . MET 3 3 6407 1 . SER 4 4 6407 1 . TYR 5 5 6407 1 . SER 6 6 6407 1 . LEU 7 7 6407 1 . TYR 8 8 6407 1 . GLY 9 9 6407 1 . THR 10 10 6407 1 . THR 11 11 6407 1 . LEU 12 12 6407 1 . GLU 13 13 6407 1 . GLN 14 14 6407 1 . GLN 15 15 6407 1 . TYR 16 16 6407 1 . ASN 17 17 6407 1 . LYS 18 18 6407 1 . PRO 19 19 6407 1 . LEU 20 20 6407 1 . SER 21 21 6407 1 . ASP 22 22 6407 1 . LEU 23 23 6407 1 . LEU 24 24 6407 1 . ILE 25 25 6407 1 . ARG 26 26 6407 1 . CYS 27 27 6407 1 . ILE 28 28 6407 1 . ASN 29 29 6407 1 . CYS 30 30 6407 1 . GLN 31 31 6407 1 . LYS 32 32 6407 1 . PRO 33 33 6407 1 . LEU 34 34 6407 1 . SER 35 35 6407 1 . PRO 36 36 6407 1 . GLU 37 37 6407 1 . GLU 38 38 6407 1 . LYS 39 39 6407 1 . GLN 40 40 6407 1 . ARG 41 41 6407 1 . HIS 42 42 6407 1 . LEU 43 43 6407 1 . ASP 44 44 6407 1 . LYS 45 45 6407 1 . LYS 46 46 6407 1 . GLN 47 47 6407 1 . ARG 48 48 6407 1 . PHE 49 49 6407 1 . HIS 50 50 6407 1 . ASN 51 51 6407 1 . ILE 52 52 6407 1 . ARG 53 53 6407 1 . GLY 54 54 6407 1 . ARG 55 55 6407 1 . TRP 56 56 6407 1 . THR 57 57 6407 1 . GLY 58 58 6407 1 . ARG 59 59 6407 1 . CYS 60 60 6407 1 . MET 61 61 6407 1 . SER 62 62 6407 1 . CYS 63 63 6407 1 . SER 64 64 6407 1 . ARG 65 65 6407 1 . SER 66 66 6407 1 . SER 67 67 6407 1 . ARG 68 68 6407 1 . THR 69 69 6407 1 . ARG 70 70 6407 1 . ARG 71 71 6407 1 . GLU 72 72 6407 1 . THR 73 73 6407 1 . GLN 74 74 6407 1 . LEU 75 75 6407 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 6407 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ZN . 6407 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 6407 _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 $E6-C_4C-4S . 9606 virus . 'Papillomavirus Human Papillomavirus type E6' Human . . Viruses 'dsDNA viruses' Papillomavirus 'Human Papillomavirus type E6' . . . . . . . . . . . . . . . . . . . . . 6407 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 6407 _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 $E6-C_4C-4S . 'recombinant technology' . 'E. coli' . . . . . . . . . . . . . . . . . . . . . . . . ; This construct corresponds to residues 77-151 of HPV16 E6 with four non-conserved cystein residues (80,97, 111 and 140) mutated into serines. At the N-terminus of the construct there are three additional residues (GAM) due to TEV cleveage. ; . . 6407 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 6407 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jun 15 12:20:01 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 6407 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 6407 ZN [Zn++] SMILES CACTVS 3.341 6407 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 6407 ZN [Zn+2] SMILES ACDLabs 10.04 6407 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 6407 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 6407 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 6407 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 6407 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN . ZN . . ZN . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 6407 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6407 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; The E6-C 4C/4S construct corresponds to residues 77-151 of HPV16 E6 with four non-conserved cystein residues (80,97,111 and 140) mutated into serines. At the N-terminus of the construct there are three additional residues (GAM) due to TEV cleavage. ; _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'C terminal domain of E6' [U-15N] . . 1 $E6-C_4C-4S . . . 0.3 1.2 mM . . . . 6407 1 2 'Tris-HCl deuterated' . . . . . . . 20 . . mM . . . . 6407 1 3 NaCl . . . . . . . 50 . . mM . . . . 6407 1 4 dithiothreitol . . . . . . . 1 . . mM . . . . 6407 1 5 'deuterium oxide' . . . . . . . 10 . . % . . . . 6407 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6407 _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 0.1 pH 6407 1 temperature 288 0.1 K 6407 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 6407 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 6407 _Software.ID 2 _Software.Name XEASY _Software.Version . _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_500MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 500MHz_spectrometer _NMR_spectrometer.Entry_ID 6407 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6407 _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 500MHz_spectrometer Bruker DMX . 500 . . . 6407 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 6407 _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 '1H-15N HSQC' . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $500MHz_spectrometer . . . . . . . . . . . . . . . . 6407 1 2 '15N NOESY-HSQC' . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $500MHz_spectrometer . . . . . . . . . . . . . . . . 6407 1 3 '15N TOCSY-HSQC' . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $500MHz_spectrometer . . . . . . . . . . . . . . . . 6407 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 6407 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $500MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6407 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '15N NOESY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $500MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6407 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '15N TOCSY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $500MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6407 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 external direct 1.0 'outside sample' . . 1 $entry_citation . . 1 $entry_citation 6407 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 external indirect 0.101329118 'outside sample' . . 1 $entry_citation . . 1 $entry_citation 6407 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6407 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 6407 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 3 3 MET H H 1 8.54 0.01 . 1 . . . . . . . . 6407 1 2 . 1 1 3 3 MET HA H 1 4.49 0.01 . 1 . . . . . . . . 6407 1 3 . 1 1 3 3 MET HB2 H 1 2.04 0.01 . 1 . . . . . . . . 6407 1 4 . 1 1 3 3 MET HB3 H 1 2.04 0.01 . 1 . . . . . . . . 6407 1 5 . 1 1 3 3 MET HG2 H 1 2.55 0.01 . 1 . . . . . . . . 6407 1 6 . 1 1 3 3 MET HG3 H 1 2.55 0.01 . 1 . . . . . . . . 6407 1 7 . 1 1 3 3 MET N N 15 121.05 0.02 . 1 . . . . . . . . 6407 1 8 . 1 1 4 4 SER H H 1 8.28 0.01 . 1 . . . . . . . . 6407 1 9 . 1 1 4 4 SER HA H 1 4.67 0.01 . 1 . . . . . . . . 6407 1 10 . 1 1 4 4 SER HB2 H 1 3.83 0.01 . 1 . . . . . . . . 6407 1 11 . 1 1 4 4 SER HB3 H 1 3.83 0.01 . 1 . . . . . . . . 6407 1 12 . 1 1 4 4 SER N N 15 118.41 0.02 . 1 . . . . . . . . 6407 1 13 . 1 1 5 5 TYR H H 1 8.33 0.01 . 1 . . . . . . . . 6407 1 14 . 1 1 5 5 TYR HA H 1 4.88 0.01 . 1 . . . . . . . . 6407 1 15 . 1 1 5 5 TYR HB2 H 1 3.24 0.01 . 2 . . . . . . . . 6407 1 16 . 1 1 5 5 TYR HB3 H 1 3.01 0.01 . 2 . . . . . . . . 6407 1 17 . 1 1 5 5 TYR HD1 H 1 7.03 0.01 . 1 . . . . . . . . 6407 1 18 . 1 1 5 5 TYR HD2 H 1 7.03 0.01 . 1 . . . . . . . . 6407 1 19 . 1 1 5 5 TYR HE1 H 1 6.77 0.01 . 1 . . . . . . . . 6407 1 20 . 1 1 5 5 TYR HE2 H 1 6.77 0.01 . 1 . . . . . . . . 6407 1 21 . 1 1 5 5 TYR N N 15 122.10 0.02 . 1 . . . . . . . . 6407 1 22 . 1 1 6 6 SER H H 1 8.31 0.01 . 1 . . . . . . . . 6407 1 23 . 1 1 6 6 SER HA H 1 5.59 0.01 . 1 . . . . . . . . 6407 1 24 . 1 1 6 6 SER HB2 H 1 3.50 0.01 . 2 . . . . . . . . 6407 1 25 . 1 1 6 6 SER HB3 H 1 3.35 0.01 . 2 . . . . . . . . 6407 1 26 . 1 1 6 6 SER N N 15 117.89 0.02 . 1 . . . . . . . . 6407 1 27 . 1 1 7 7 LEU H H 1 8.47 0.01 . 1 . . . . . . . . 6407 1 28 . 1 1 7 7 LEU HA H 1 4.76 0.01 . 1 . . . . . . . . 6407 1 29 . 1 1 7 7 LEU HB2 H 1 1.60 0.01 . 2 . . . . . . . . 6407 1 30 . 1 1 7 7 LEU HB3 H 1 1.52 0.01 . 2 . . . . . . . . 6407 1 31 . 1 1 7 7 LEU HG H 1 1.21 0.01 . 1 . . . . . . . . 6407 1 32 . 1 1 7 7 LEU HD11 H 1 1.08 0.01 . 2 . . . . . . . . 6407 1 33 . 1 1 7 7 LEU HD12 H 1 1.08 0.01 . 2 . . . . . . . . 6407 1 34 . 1 1 7 7 LEU HD13 H 1 1.08 0.01 . 2 . . . . . . . . 6407 1 35 . 1 1 7 7 LEU HD21 H 1 0.73 0.01 . 2 . . . . . . . . 6407 1 36 . 1 1 7 7 LEU HD22 H 1 0.73 0.01 . 2 . . . . . . . . 6407 1 37 . 1 1 7 7 LEU HD23 H 1 0.73 0.01 . 2 . . . . . . . . 6407 1 38 . 1 1 7 7 LEU N N 15 122.10 0.02 . 1 . . . . . . . . 6407 1 39 . 1 1 8 8 TYR H H 1 8.80 0.01 . 1 . . . . . . . . 6407 1 40 . 1 1 8 8 TYR HA H 1 4.69 0.01 . 1 . . . . . . . . 6407 1 41 . 1 1 8 8 TYR HB2 H 1 3.31 0.01 . 2 . . . . . . . . 6407 1 42 . 1 1 8 8 TYR HB3 H 1 2.86 0.01 . 2 . . . . . . . . 6407 1 43 . 1 1 8 8 TYR HD1 H 1 7.20 0.01 . 1 . . . . . . . . 6407 1 44 . 1 1 8 8 TYR HD2 H 1 7.20 0.01 . 1 . . . . . . . . 6407 1 45 . 1 1 8 8 TYR HE1 H 1 6.80 0.01 . 1 . . . . . . . . 6407 1 46 . 1 1 8 8 TYR HE2 H 1 6.80 0.01 . 1 . . . . . . . . 6407 1 47 . 1 1 8 8 TYR N N 15 119.73 0.02 . 1 . . . . . . . . 6407 1 48 . 1 1 9 9 GLY H H 1 7.61 0.01 . 1 . . . . . . . . 6407 1 49 . 1 1 9 9 GLY HA2 H 1 4.20 0.01 . 1 . . . . . . . . 6407 1 50 . 1 1 9 9 GLY HA3 H 1 4.20 0.01 . 1 . . . . . . . . 6407 1 51 . 1 1 9 9 GLY N N 15 111.30 0.02 . 1 . . . . . . . . 6407 1 52 . 1 1 10 10 THR H H 1 7.52 0.01 . 1 . . . . . . . . 6407 1 53 . 1 1 10 10 THR HA H 1 4.35 0.01 . 1 . . . . . . . . 6407 1 54 . 1 1 11 11 THR H H 1 7.11 0.01 . 1 . . . . . . . . 6407 1 55 . 1 1 11 11 THR HA H 1 4.19 0.01 . 1 . . . . . . . . 6407 1 56 . 1 1 11 11 THR HB H 1 4.07 0.01 . 1 . . . . . . . . 6407 1 57 . 1 1 11 11 THR HG21 H 1 1.50 0.01 . 1 . . . . . . . . 6407 1 58 . 1 1 11 11 THR HG22 H 1 1.50 0.01 . 1 . . . . . . . . 6407 1 59 . 1 1 11 11 THR HG23 H 1 1.50 0.01 . 1 . . . . . . . . 6407 1 60 . 1 1 11 11 THR N N 15 119.20 0.02 . 1 . . . . . . . . 6407 1 61 . 1 1 12 12 LEU H H 1 7.57 0.01 . 1 . . . . . . . . 6407 1 62 . 1 1 12 12 LEU HA H 1 3.73 0.01 . 1 . . . . . . . . 6407 1 63 . 1 1 12 12 LEU HB2 H 1 1.30 0.01 . 1 . . . . . . . . 6407 1 64 . 1 1 12 12 LEU HB3 H 1 1.30 0.01 . 1 . . . . . . . . 6407 1 65 . 1 1 12 12 LEU HG H 1 1.21 0.01 . 1 . . . . . . . . 6407 1 66 . 1 1 12 12 LEU HD11 H 1 0.68 0.01 . 1 . . . . . . . . 6407 1 67 . 1 1 12 12 LEU HD12 H 1 0.68 0.01 . 1 . . . . . . . . 6407 1 68 . 1 1 12 12 LEU HD13 H 1 0.68 0.01 . 1 . . . . . . . . 6407 1 69 . 1 1 12 12 LEU HD21 H 1 0.68 0.01 . 1 . . . . . . . . 6407 1 70 . 1 1 12 12 LEU HD22 H 1 0.68 0.01 . 1 . . . . . . . . 6407 1 71 . 1 1 12 12 LEU HD23 H 1 0.68 0.01 . 1 . . . . . . . . 6407 1 72 . 1 1 12 12 LEU N N 15 123.42 0.02 . 1 . . . . . . . . 6407 1 73 . 1 1 13 13 GLU H H 1 7.79 0.01 . 1 . . . . . . . . 6407 1 74 . 1 1 13 13 GLU HA H 1 4.27 0.01 . 1 . . . . . . . . 6407 1 75 . 1 1 13 13 GLU HB2 H 1 2.25 0.01 . 1 . . . . . . . . 6407 1 76 . 1 1 13 13 GLU HB3 H 1 2.25 0.01 . 1 . . . . . . . . 6407 1 77 . 1 1 13 13 GLU HG2 H 1 2.50 0.01 . 1 . . . . . . . . 6407 1 78 . 1 1 13 13 GLU HG3 H 1 2.50 0.01 . 1 . . . . . . . . 6407 1 79 . 1 1 13 13 GLU N N 15 117.62 0.02 . 1 . . . . . . . . 6407 1 80 . 1 1 14 14 GLN H H 1 7.42 0.01 . 1 . . . . . . . . 6407 1 81 . 1 1 14 14 GLN HA H 1 4.05 0.01 . 1 . . . . . . . . 6407 1 82 . 1 1 14 14 GLN HB2 H 1 2.21 0.01 . 2 . . . . . . . . 6407 1 83 . 1 1 14 14 GLN HB3 H 1 2.11 0.01 . 2 . . . . . . . . 6407 1 84 . 1 1 14 14 GLN HG2 H 1 2.53 0.01 . 2 . . . . . . . . 6407 1 85 . 1 1 14 14 GLN HG3 H 1 2.36 0.01 . 2 . . . . . . . . 6407 1 86 . 1 1 14 14 GLN HE21 H 1 6.83 0.01 . 2 . . . . . . . . 6407 1 87 . 1 1 14 14 GLN HE22 H 1 7.52 0.01 . 2 . . . . . . . . 6407 1 88 . 1 1 14 14 GLN N N 15 118.15 0.02 . 1 . . . . . . . . 6407 1 89 . 1 1 14 14 GLN NE2 N 15 112.88 0.02 . 1 . . . . . . . . 6407 1 90 . 1 1 15 15 GLN H H 1 8.32 0.01 . 1 . . . . . . . . 6407 1 91 . 1 1 15 15 GLN HA H 1 3.88 0.01 . 1 . . . . . . . . 6407 1 92 . 1 1 15 15 GLN HB2 H 1 1.92 0.01 . 2 . . . . . . . . 6407 1 93 . 1 1 15 15 GLN HB3 H 1 1.37 0.01 . 2 . . . . . . . . 6407 1 94 . 1 1 15 15 GLN HG2 H 1 2.15 0.01 . 2 . . . . . . . . 6407 1 95 . 1 1 15 15 GLN HG3 H 1 1.75 0.01 . 2 . . . . . . . . 6407 1 96 . 1 1 15 15 GLN HE21 H 1 6.67 0.01 . 2 . . . . . . . . 6407 1 97 . 1 1 15 15 GLN HE22 H 1 7.27 0.01 . 2 . . . . . . . . 6407 1 98 . 1 1 15 15 GLN N N 15 119.73 0.02 . 1 . . . . . . . . 6407 1 99 . 1 1 15 15 GLN NE2 N 15 111.56 0.02 . 1 . . . . . . . . 6407 1 100 . 1 1 16 16 TYR H H 1 7.79 0.01 . 1 . . . . . . . . 6407 1 101 . 1 1 16 16 TYR HA H 1 4.37 0.01 . 1 . . . . . . . . 6407 1 102 . 1 1 16 16 TYR HB2 H 1 3.01 0.01 . 2 . . . . . . . . 6407 1 103 . 1 1 16 16 TYR HB3 H 1 2.59 0.01 . 2 . . . . . . . . 6407 1 104 . 1 1 16 16 TYR HD1 H 1 7.16 0.01 . 1 . . . . . . . . 6407 1 105 . 1 1 16 16 TYR HD2 H 1 7.16 0.01 . 1 . . . . . . . . 6407 1 106 . 1 1 16 16 TYR HE1 H 1 6.68 0.01 . 1 . . . . . . . . 6407 1 107 . 1 1 16 16 TYR HE2 H 1 6.68 0.01 . 1 . . . . . . . . 6407 1 108 . 1 1 16 16 TYR N N 15 114.72 0.02 . 1 . . . . . . . . 6407 1 109 . 1 1 17 17 ASN H H 1 7.98 0.01 . 1 . . . . . . . . 6407 1 110 . 1 1 17 17 ASN HA H 1 4.37 0.01 . 1 . . . . . . . . 6407 1 111 . 1 1 17 17 ASN HB2 H 1 3.12 0.01 . 2 . . . . . . . . 6407 1 112 . 1 1 17 17 ASN HB3 H 1 2.64 0.01 . 2 . . . . . . . . 6407 1 113 . 1 1 17 17 ASN HD21 H 1 7.53 0.01 . 2 . . . . . . . . 6407 1 114 . 1 1 17 17 ASN HD22 H 1 6.78 0.01 . 2 . . . . . . . . 6407 1 115 . 1 1 17 17 ASN N N 15 119.73 0.02 . 1 . . . . . . . . 6407 1 116 . 1 1 17 17 ASN ND2 N 15 113.04 0.12 . 1 . . . . . . . . 6407 1 117 . 1 1 18 18 LYS H H 1 7.64 0.01 . 1 . . . . . . . . 6407 1 118 . 1 1 18 18 LYS HA H 1 4.65 0.01 . 1 . . . . . . . . 6407 1 119 . 1 1 18 18 LYS HB2 H 1 1.70 0.01 . 2 . . . . . . . . 6407 1 120 . 1 1 18 18 LYS HB3 H 1 1.38 0.01 . 2 . . . . . . . . 6407 1 121 . 1 1 18 18 LYS HG2 H 1 1.32 0.01 . 1 . . . . . . . . 6407 1 122 . 1 1 18 18 LYS HG3 H 1 1.32 0.01 . 1 . . . . . . . . 6407 1 123 . 1 1 18 18 LYS HD2 H 1 1.58 0.01 . 2 . . . . . . . . 6407 1 124 . 1 1 18 18 LYS HD3 H 1 1.50 0.01 . 2 . . . . . . . . 6407 1 125 . 1 1 18 18 LYS HE2 H 1 2.92 0.01 . 2 . . . . . . . . 6407 1 126 . 1 1 18 18 LYS HE3 H 1 2.74 0.01 . 2 . . . . . . . . 6407 1 127 . 1 1 18 18 LYS N N 15 117.62 0.02 . 1 . . . . . . . . 6407 1 128 . 1 1 19 19 PRO HA H 1 4.40 0.01 . 1 . . . . . . . . 6407 1 129 . 1 1 19 19 PRO HB2 H 1 2.22 0.01 . 2 . . . . . . . . 6407 1 130 . 1 1 19 19 PRO HB3 H 1 1.91 0.01 . 2 . . . . . . . . 6407 1 131 . 1 1 19 19 PRO HG2 H 1 1.85 0.01 . 2 . . . . . . . . 6407 1 132 . 1 1 19 19 PRO HG3 H 1 1.67 0.01 . 2 . . . . . . . . 6407 1 133 . 1 1 19 19 PRO HD2 H 1 3.61 0.01 . 2 . . . . . . . . 6407 1 134 . 1 1 19 19 PRO HD3 H 1 3.57 0.01 . 2 . . . . . . . . 6407 1 135 . 1 1 20 20 LEU H H 1 8.63 0.01 . 1 . . . . . . . . 6407 1 136 . 1 1 20 20 LEU HA H 1 3.66 0.01 . 1 . . . . . . . . 6407 1 137 . 1 1 20 20 LEU HB2 H 1 1.61 0.01 . 2 . . . . . . . . 6407 1 138 . 1 1 20 20 LEU HB3 H 1 1.31 0.01 . 2 . . . . . . . . 6407 1 139 . 1 1 20 20 LEU HG H 1 1.66 0.01 . 1 . . . . . . . . 6407 1 140 . 1 1 20 20 LEU HD11 H 1 0.66 0.01 . 2 . . . . . . . . 6407 1 141 . 1 1 20 20 LEU HD12 H 1 0.66 0.01 . 2 . . . . . . . . 6407 1 142 . 1 1 20 20 LEU HD13 H 1 0.66 0.01 . 2 . . . . . . . . 6407 1 143 . 1 1 20 20 LEU HD21 H 1 0.59 0.01 . 2 . . . . . . . . 6407 1 144 . 1 1 20 20 LEU HD22 H 1 0.59 0.01 . 2 . . . . . . . . 6407 1 145 . 1 1 20 20 LEU HD23 H 1 0.59 0.01 . 2 . . . . . . . . 6407 1 146 . 1 1 20 20 LEU N N 15 113.14 0.02 . 1 . . . . . . . . 6407 1 147 . 1 1 21 21 SER H H 1 9.91 0.01 . 1 . . . . . . . . 6407 1 148 . 1 1 21 21 SER HA H 1 4.39 0.01 . 1 . . . . . . . . 6407 1 149 . 1 1 21 21 SER N N 15 123.42 0.02 . 1 . . . . . . . . 6407 1 150 . 1 1 22 22 ASP H H 1 7.81 0.01 . 1 . . . . . . . . 6407 1 151 . 1 1 22 22 ASP HA H 1 4.58 0.01 . 1 . . . . . . . . 6407 1 152 . 1 1 22 22 ASP HB2 H 1 2.71 0.01 . 2 . . . . . . . . 6407 1 153 . 1 1 22 22 ASP HB3 H 1 2.45 0.01 . 2 . . . . . . . . 6407 1 154 . 1 1 22 22 ASP N N 15 121.84 0.02 . 1 . . . . . . . . 6407 1 155 . 1 1 23 23 LEU H H 1 7.25 0.01 . 1 . . . . . . . . 6407 1 156 . 1 1 23 23 LEU HA H 1 4.15 0.01 . 1 . . . . . . . . 6407 1 157 . 1 1 23 23 LEU HB2 H 1 2.06 0.01 . 2 . . . . . . . . 6407 1 158 . 1 1 23 23 LEU HB3 H 1 0.90 0.01 . 2 . . . . . . . . 6407 1 159 . 1 1 23 23 LEU HG H 1 1.31 0.01 . 1 . . . . . . . . 6407 1 160 . 1 1 23 23 LEU HD11 H 1 0.28 0.01 . 2 . . . . . . . . 6407 1 161 . 1 1 23 23 LEU HD12 H 1 0.28 0.01 . 2 . . . . . . . . 6407 1 162 . 1 1 23 23 LEU HD13 H 1 0.28 0.01 . 2 . . . . . . . . 6407 1 163 . 1 1 23 23 LEU HD21 H 1 0.24 0.01 . 2 . . . . . . . . 6407 1 164 . 1 1 23 23 LEU HD22 H 1 0.24 0.01 . 2 . . . . . . . . 6407 1 165 . 1 1 23 23 LEU HD23 H 1 0.24 0.01 . 2 . . . . . . . . 6407 1 166 . 1 1 23 23 LEU N N 15 122.89 0.02 . 1 . . . . . . . . 6407 1 167 . 1 1 24 24 LEU H H 1 8.32 0.01 . 1 . . . . . . . . 6407 1 168 . 1 1 24 24 LEU HA H 1 4.22 0.01 . 1 . . . . . . . . 6407 1 169 . 1 1 24 24 LEU HB2 H 1 1.76 0.01 . 2 . . . . . . . . 6407 1 170 . 1 1 24 24 LEU HB3 H 1 1.40 0.01 . 2 . . . . . . . . 6407 1 171 . 1 1 24 24 LEU HG H 1 0.84 0.01 . 1 . . . . . . . . 6407 1 172 . 1 1 24 24 LEU HD11 H 1 -0.45 0.01 . 2 . . . . . . . . 6407 1 173 . 1 1 24 24 LEU HD12 H 1 -0.45 0.01 . 2 . . . . . . . . 6407 1 174 . 1 1 24 24 LEU HD13 H 1 -0.45 0.01 . 2 . . . . . . . . 6407 1 175 . 1 1 24 24 LEU HD21 H 1 -0.53 0.01 . 2 . . . . . . . . 6407 1 176 . 1 1 24 24 LEU HD22 H 1 -0.53 0.01 . 2 . . . . . . . . 6407 1 177 . 1 1 24 24 LEU HD23 H 1 -0.53 0.01 . 2 . . . . . . . . 6407 1 178 . 1 1 24 24 LEU N N 15 126.32 0.02 . 1 . . . . . . . . 6407 1 179 . 1 1 25 25 ILE H H 1 8.37 0.01 . 1 . . . . . . . . 6407 1 180 . 1 1 25 25 ILE HA H 1 4.18 0.01 . 1 . . . . . . . . 6407 1 181 . 1 1 25 25 ILE HB H 1 1.21 0.01 . 1 . . . . . . . . 6407 1 182 . 1 1 25 25 ILE HG12 H 1 1.09 0.01 . 1 . . . . . . . . 6407 1 183 . 1 1 25 25 ILE HG13 H 1 0.53 0.01 . 1 . . . . . . . . 6407 1 184 . 1 1 25 25 ILE HG21 H 1 0.61 0.01 . 1 . . . . . . . . 6407 1 185 . 1 1 25 25 ILE HG22 H 1 0.61 0.01 . 1 . . . . . . . . 6407 1 186 . 1 1 25 25 ILE HG23 H 1 0.61 0.01 . 1 . . . . . . . . 6407 1 187 . 1 1 25 25 ILE HD11 H 1 -0.17 0.01 . 1 . . . . . . . . 6407 1 188 . 1 1 25 25 ILE HD12 H 1 -0.17 0.01 . 1 . . . . . . . . 6407 1 189 . 1 1 25 25 ILE HD13 H 1 -0.17 0.01 . 1 . . . . . . . . 6407 1 190 . 1 1 25 25 ILE N N 15 130.80 0.02 . 1 . . . . . . . . 6407 1 191 . 1 1 26 26 ARG H H 1 7.77 0.01 . 1 . . . . . . . . 6407 1 192 . 1 1 26 26 ARG HA H 1 4.84 0.01 . 1 . . . . . . . . 6407 1 193 . 1 1 26 26 ARG HB2 H 1 1.45 0.01 . 2 . . . . . . . . 6407 1 194 . 1 1 26 26 ARG HB3 H 1 1.26 0.01 . 2 . . . . . . . . 6407 1 195 . 1 1 26 26 ARG HG2 H 1 1.18 0.01 . 2 . . . . . . . . 6407 1 196 . 1 1 26 26 ARG HG3 H 1 0.83 0.01 . 2 . . . . . . . . 6407 1 197 . 1 1 26 26 ARG HD2 H 1 3.20 0.01 . 2 . . . . . . . . 6407 1 198 . 1 1 26 26 ARG HD3 H 1 2.96 0.01 . 2 . . . . . . . . 6407 1 199 . 1 1 26 26 ARG HE H 1 7.40 0.01 . 1 . . . . . . . . 6407 1 200 . 1 1 26 26 ARG N N 15 125.79 0.02 . 1 . . . . . . . . 6407 1 201 . 1 1 27 27 CYS H H 1 8.74 0.01 . 1 . . . . . . . . 6407 1 202 . 1 1 27 27 CYS HA H 1 4.24 0.01 . 1 . . . . . . . . 6407 1 203 . 1 1 27 27 CYS HB2 H 1 3.40 0.01 . 2 . . . . . . . . 6407 1 204 . 1 1 27 27 CYS HB3 H 1 2.70 0.01 . 2 . . . . . . . . 6407 1 205 . 1 1 27 27 CYS N N 15 123.68 0.02 . 1 . . . . . . . . 6407 1 206 . 1 1 28 28 ILE H H 1 9.52 0.01 . 1 . . . . . . . . 6407 1 207 . 1 1 28 28 ILE HA H 1 4.10 0.01 . 1 . . . . . . . . 6407 1 208 . 1 1 28 28 ILE HB H 1 2.06 0.01 . 1 . . . . . . . . 6407 1 209 . 1 1 28 28 ILE HG12 H 1 1.45 0.01 . 1 . . . . . . . . 6407 1 210 . 1 1 28 28 ILE HG13 H 1 1.30 0.01 . 1 . . . . . . . . 6407 1 211 . 1 1 28 28 ILE HG21 H 1 1.01 0.01 . 1 . . . . . . . . 6407 1 212 . 1 1 28 28 ILE HG22 H 1 1.01 0.01 . 1 . . . . . . . . 6407 1 213 . 1 1 28 28 ILE HG23 H 1 1.01 0.01 . 1 . . . . . . . . 6407 1 214 . 1 1 28 28 ILE HD11 H 1 0.89 0.01 . 1 . . . . . . . . 6407 1 215 . 1 1 28 28 ILE HD12 H 1 0.89 0.01 . 1 . . . . . . . . 6407 1 216 . 1 1 28 28 ILE HD13 H 1 0.89 0.01 . 1 . . . . . . . . 6407 1 217 . 1 1 28 28 ILE N N 15 132.38 0.02 . 1 . . . . . . . . 6407 1 218 . 1 1 29 29 ASN H H 1 8.89 0.01 . 1 . . . . . . . . 6407 1 219 . 1 1 29 29 ASN HA H 1 4.93 0.01 . 1 . . . . . . . . 6407 1 220 . 1 1 29 29 ASN HB2 H 1 3.42 0.01 . 2 . . . . . . . . 6407 1 221 . 1 1 29 29 ASN HB3 H 1 2.85 0.01 . 2 . . . . . . . . 6407 1 222 . 1 1 29 29 ASN HD21 H 1 8.32 0.01 . 2 . . . . . . . . 6407 1 223 . 1 1 29 29 ASN HD22 H 1 7.09 0.01 . 2 . . . . . . . . 6407 1 224 . 1 1 29 29 ASN N N 15 123.16 0.02 . 1 . . . . . . . . 6407 1 225 . 1 1 29 29 ASN ND2 N 15 115.51 0.02 . 1 . . . . . . . . 6407 1 226 . 1 1 30 30 CYS H H 1 8.01 0.01 . 1 . . . . . . . . 6407 1 227 . 1 1 30 30 CYS HA H 1 4.88 0.01 . 1 . . . . . . . . 6407 1 228 . 1 1 30 30 CYS HB2 H 1 3.23 0.01 . 2 . . . . . . . . 6407 1 229 . 1 1 30 30 CYS HB3 H 1 2.53 0.01 . 2 . . . . . . . . 6407 1 230 . 1 1 30 30 CYS N N 15 118.15 0.02 . 1 . . . . . . . . 6407 1 231 . 1 1 31 31 GLN H H 1 7.79 0.01 . 1 . . . . . . . . 6407 1 232 . 1 1 31 31 GLN HA H 1 4.09 0.01 . 1 . . . . . . . . 6407 1 233 . 1 1 31 31 GLN HB2 H 1 2.25 0.01 . 2 . . . . . . . . 6407 1 234 . 1 1 31 31 GLN HB3 H 1 2.16 0.01 . 2 . . . . . . . . 6407 1 235 . 1 1 31 31 GLN HG2 H 1 2.45 0.01 . 2 . . . . . . . . 6407 1 236 . 1 1 31 31 GLN HG3 H 1 2.36 0.01 . 2 . . . . . . . . 6407 1 237 . 1 1 31 31 GLN HE21 H 1 7.24 0.01 . 2 . . . . . . . . 6407 1 238 . 1 1 31 31 GLN HE22 H 1 6.55 0.01 . 2 . . . . . . . . 6407 1 239 . 1 1 31 31 GLN N N 15 116.04 0.02 . 1 . . . . . . . . 6407 1 240 . 1 1 31 31 GLN NE2 N 15 113.67 0.02 . 1 . . . . . . . . 6407 1 241 . 1 1 32 32 LYS H H 1 8.36 0.01 . 1 . . . . . . . . 6407 1 242 . 1 1 32 32 LYS HA H 1 4.55 0.01 . 1 . . . . . . . . 6407 1 243 . 1 1 32 32 LYS HB2 H 1 1.98 0.01 . 1 . . . . . . . . 6407 1 244 . 1 1 32 32 LYS HB3 H 1 1.98 0.01 . 1 . . . . . . . . 6407 1 245 . 1 1 32 32 LYS HG2 H 1 1.60 0.01 . 2 . . . . . . . . 6407 1 246 . 1 1 32 32 LYS HG3 H 1 1.53 0.01 . 2 . . . . . . . . 6407 1 247 . 1 1 32 32 LYS HD2 H 1 1.82 0.01 . 2 . . . . . . . . 6407 1 248 . 1 1 32 32 LYS HD3 H 1 1.75 0.01 . 2 . . . . . . . . 6407 1 249 . 1 1 32 32 LYS HE2 H 1 3.04 0.01 . 1 . . . . . . . . 6407 1 250 . 1 1 32 32 LYS HE3 H 1 3.04 0.01 . 1 . . . . . . . . 6407 1 251 . 1 1 32 32 LYS N N 15 123.91 0.02 . 1 . . . . . . . . 6407 1 252 . 1 1 33 33 PRO HA H 1 4.41 0.01 . 1 . . . . . . . . 6407 1 253 . 1 1 33 33 PRO HB2 H 1 2.12 0.01 . 2 . . . . . . . . 6407 1 254 . 1 1 33 33 PRO HB3 H 1 1.96 0.01 . 2 . . . . . . . . 6407 1 255 . 1 1 33 33 PRO HG2 H 1 2.19 0.01 . 2 . . . . . . . . 6407 1 256 . 1 1 33 33 PRO HG3 H 1 1.79 0.01 . 2 . . . . . . . . 6407 1 257 . 1 1 33 33 PRO HD2 H 1 3.97 0.01 . 2 . . . . . . . . 6407 1 258 . 1 1 33 33 PRO HD3 H 1 3.60 0.01 . 2 . . . . . . . . 6407 1 259 . 1 1 34 34 LEU H H 1 9.41 0.01 . 1 . . . . . . . . 6407 1 260 . 1 1 34 34 LEU HA H 1 4.54 0.01 . 1 . . . . . . . . 6407 1 261 . 1 1 34 34 LEU HB2 H 1 1.96 0.01 . 2 . . . . . . . . 6407 1 262 . 1 1 34 34 LEU HB3 H 1 1.42 0.01 . 2 . . . . . . . . 6407 1 263 . 1 1 34 34 LEU HG H 1 1.62 0.01 . 1 . . . . . . . . 6407 1 264 . 1 1 34 34 LEU HD11 H 1 0.68 0.01 . 2 . . . . . . . . 6407 1 265 . 1 1 34 34 LEU HD12 H 1 0.68 0.01 . 2 . . . . . . . . 6407 1 266 . 1 1 34 34 LEU HD13 H 1 0.68 0.01 . 2 . . . . . . . . 6407 1 267 . 1 1 34 34 LEU HD21 H 1 0.62 0.01 . 2 . . . . . . . . 6407 1 268 . 1 1 34 34 LEU HD22 H 1 0.62 0.01 . 2 . . . . . . . . 6407 1 269 . 1 1 34 34 LEU HD23 H 1 0.62 0.01 . 2 . . . . . . . . 6407 1 270 . 1 1 34 34 LEU N N 15 127.37 0.02 . 1 . . . . . . . . 6407 1 271 . 1 1 35 35 SER H H 1 9.75 0.01 . 1 . . . . . . . . 6407 1 272 . 1 1 35 35 SER HA H 1 4.77 0.01 . 1 . . . . . . . . 6407 1 273 . 1 1 35 35 SER HB2 H 1 3.98 0.01 . 1 . . . . . . . . 6407 1 274 . 1 1 35 35 SER HB3 H 1 3.98 0.01 . 1 . . . . . . . . 6407 1 275 . 1 1 35 35 SER HG H 1 6.00 0.01 . 1 . . . . . . . . 6407 1 276 . 1 1 35 35 SER N N 15 122.36 0.02 . 1 . . . . . . . . 6407 1 277 . 1 1 36 36 PRO HA H 1 4.14 0.01 . 1 . . . . . . . . 6407 1 278 . 1 1 36 36 PRO HB2 H 1 2.38 0.01 . 2 . . . . . . . . 6407 1 279 . 1 1 36 36 PRO HB3 H 1 1.93 0.01 . 2 . . . . . . . . 6407 1 280 . 1 1 36 36 PRO HG2 H 1 2.23 0.01 . 2 . . . . . . . . 6407 1 281 . 1 1 36 36 PRO HG3 H 1 2.04 0.01 . 2 . . . . . . . . 6407 1 282 . 1 1 36 36 PRO HD2 H 1 3.97 0.01 . 2 . . . . . . . . 6407 1 283 . 1 1 36 36 PRO HD3 H 1 3.84 0.01 . 2 . . . . . . . . 6407 1 284 . 1 1 37 37 GLU H H 1 8.89 0.01 . 1 . . . . . . . . 6407 1 285 . 1 1 37 37 GLU HA H 1 4.09 0.01 . 1 . . . . . . . . 6407 1 286 . 1 1 37 37 GLU HB2 H 1 2.16 0.01 . 2 . . . . . . . . 6407 1 287 . 1 1 37 37 GLU HB3 H 1 1.89 0.01 . 2 . . . . . . . . 6407 1 288 . 1 1 37 37 GLU HG2 H 1 2.38 0.01 . 2 . . . . . . . . 6407 1 289 . 1 1 37 37 GLU HG3 H 1 2.28 0.01 . 2 . . . . . . . . 6407 1 290 . 1 1 37 37 GLU N N 15 118.94 0.02 . 1 . . . . . . . . 6407 1 291 . 1 1 38 38 GLU H H 1 8.04 0.01 . 1 . . . . . . . . 6407 1 292 . 1 1 38 38 GLU HA H 1 4.00 0.01 . 1 . . . . . . . . 6407 1 293 . 1 1 38 38 GLU HB2 H 1 2.53 0.01 . 1 . . . . . . . . 6407 1 294 . 1 1 38 38 GLU HB3 H 1 2.53 0.01 . 1 . . . . . . . . 6407 1 295 . 1 1 38 38 GLU HG2 H 1 2.40 0.01 . 1 . . . . . . . . 6407 1 296 . 1 1 38 38 GLU HG3 H 1 2.40 0.01 . 1 . . . . . . . . 6407 1 297 . 1 1 38 38 GLU N N 15 122.63 0.02 . 1 . . . . . . . . 6407 1 298 . 1 1 39 39 LYS H H 1 8.36 0.01 . 1 . . . . . . . . 6407 1 299 . 1 1 39 39 LYS HA H 1 3.98 0.01 . 1 . . . . . . . . 6407 1 300 . 1 1 39 39 LYS HB2 H 1 1.98 0.01 . 2 . . . . . . . . 6407 1 301 . 1 1 39 39 LYS HB3 H 1 1.60 0.01 . 2 . . . . . . . . 6407 1 302 . 1 1 39 39 LYS HG2 H 1 1.01 0.01 . 1 . . . . . . . . 6407 1 303 . 1 1 39 39 LYS HG3 H 1 1.01 0.01 . 1 . . . . . . . . 6407 1 304 . 1 1 39 39 LYS HD2 H 1 1.75 0.01 . 1 . . . . . . . . 6407 1 305 . 1 1 39 39 LYS HD3 H 1 1.75 0.01 . 1 . . . . . . . . 6407 1 306 . 1 1 39 39 LYS HE2 H 1 2.74 0.01 . 2 . . . . . . . . 6407 1 307 . 1 1 39 39 LYS HE3 H 1 2.49 0.01 . 2 . . . . . . . . 6407 1 308 . 1 1 39 39 LYS N N 15 121.31 0.02 . 1 . . . . . . . . 6407 1 309 . 1 1 40 40 GLN H H 1 8.39 0.01 . 1 . . . . . . . . 6407 1 310 . 1 1 40 40 GLN HA H 1 3.86 0.01 . 1 . . . . . . . . 6407 1 311 . 1 1 40 40 GLN HB2 H 1 2.43 0.01 . 1 . . . . . . . . 6407 1 312 . 1 1 40 40 GLN HB3 H 1 2.43 0.01 . 1 . . . . . . . . 6407 1 313 . 1 1 40 40 GLN HG2 H 1 2.10 0.01 . 1 . . . . . . . . 6407 1 314 . 1 1 40 40 GLN HG3 H 1 2.10 0.01 . 1 . . . . . . . . 6407 1 315 . 1 1 40 40 GLN HE21 H 1 8.09 0.01 . 2 . . . . . . . . 6407 1 316 . 1 1 40 40 GLN HE22 H 1 6.96 0.01 . 2 . . . . . . . . 6407 1 317 . 1 1 40 40 GLN N N 15 119.73 0.02 . 1 . . . . . . . . 6407 1 318 . 1 1 40 40 GLN NE2 N 15 117.62 0.02 . 1 . . . . . . . . 6407 1 319 . 1 1 41 41 ARG H H 1 8.02 0.01 . 1 . . . . . . . . 6407 1 320 . 1 1 41 41 ARG HA H 1 4.19 0.01 . 1 . . . . . . . . 6407 1 321 . 1 1 41 41 ARG HB2 H 1 1.99 0.01 . 1 . . . . . . . . 6407 1 322 . 1 1 41 41 ARG HB3 H 1 1.99 0.01 . 1 . . . . . . . . 6407 1 323 . 1 1 41 41 ARG HG2 H 1 1.73 0.01 . 1 . . . . . . . . 6407 1 324 . 1 1 41 41 ARG HG3 H 1 1.73 0.01 . 1 . . . . . . . . 6407 1 325 . 1 1 41 41 ARG HD2 H 1 3.16 0.01 . 1 . . . . . . . . 6407 1 326 . 1 1 41 41 ARG HD3 H 1 3.16 0.01 . 1 . . . . . . . . 6407 1 327 . 1 1 41 41 ARG N N 15 121.05 0.02 . 1 . . . . . . . . 6407 1 328 . 1 1 42 42 HIS H H 1 7.60 0.01 . 1 . . . . . . . . 6407 1 329 . 1 1 42 42 HIS HA H 1 4.07 0.01 . 1 . . . . . . . . 6407 1 330 . 1 1 42 42 HIS HB2 H 1 3.52 0.01 . 2 . . . . . . . . 6407 1 331 . 1 1 42 42 HIS HB3 H 1 2.69 0.01 . 2 . . . . . . . . 6407 1 332 . 1 1 42 42 HIS HD2 H 1 6.54 0.01 . 1 . . . . . . . . 6407 1 333 . 1 1 42 42 HIS HE1 H 1 7.56 0.01 . 1 . . . . . . . . 6407 1 334 . 1 1 42 42 HIS N N 15 117.89 0.02 . 1 . . . . . . . . 6407 1 335 . 1 1 43 43 LEU H H 1 7.51 0.01 . 1 . . . . . . . . 6407 1 336 . 1 1 43 43 LEU HA H 1 4.32 0.01 . 1 . . . . . . . . 6407 1 337 . 1 1 43 43 LEU HB2 H 1 2.09 0.01 . 2 . . . . . . . . 6407 1 338 . 1 1 43 43 LEU HB3 H 1 1.79 0.01 . 2 . . . . . . . . 6407 1 339 . 1 1 43 43 LEU HG H 1 1.64 0.01 . 1 . . . . . . . . 6407 1 340 . 1 1 43 43 LEU HD11 H 1 0.94 0.01 . 1 . . . . . . . . 6407 1 341 . 1 1 43 43 LEU HD12 H 1 0.94 0.01 . 1 . . . . . . . . 6407 1 342 . 1 1 43 43 LEU HD13 H 1 0.94 0.01 . 1 . . . . . . . . 6407 1 343 . 1 1 43 43 LEU HD21 H 1 0.94 0.01 . 1 . . . . . . . . 6407 1 344 . 1 1 43 43 LEU HD22 H 1 0.94 0.01 . 1 . . . . . . . . 6407 1 345 . 1 1 43 43 LEU HD23 H 1 0.94 0.01 . 1 . . . . . . . . 6407 1 346 . 1 1 43 43 LEU N N 15 118.41 0.02 . 1 . . . . . . . . 6407 1 347 . 1 1 44 44 ASP H H 1 9.03 0.01 . 1 . . . . . . . . 6407 1 348 . 1 1 44 44 ASP HA H 1 4.29 0.01 . 1 . . . . . . . . 6407 1 349 . 1 1 44 44 ASP HB2 H 1 2.71 0.01 . 1 . . . . . . . . 6407 1 350 . 1 1 44 44 ASP HB3 H 1 2.71 0.01 . 1 . . . . . . . . 6407 1 351 . 1 1 44 44 ASP N N 15 122.36 0.02 . 1 . . . . . . . . 6407 1 352 . 1 1 45 45 LYS H H 1 8.25 0.01 . 1 . . . . . . . . 6407 1 353 . 1 1 45 45 LYS HA H 1 4.31 0.01 . 1 . . . . . . . . 6407 1 354 . 1 1 45 45 LYS HB2 H 1 2.00 0.01 . 1 . . . . . . . . 6407 1 355 . 1 1 45 45 LYS HB3 H 1 2.00 0.01 . 1 . . . . . . . . 6407 1 356 . 1 1 45 45 LYS HG2 H 1 1.65 0.01 . 1 . . . . . . . . 6407 1 357 . 1 1 45 45 LYS HG3 H 1 1.65 0.01 . 1 . . . . . . . . 6407 1 358 . 1 1 45 45 LYS HD2 H 1 1.51 0.01 . 1 . . . . . . . . 6407 1 359 . 1 1 45 45 LYS HD3 H 1 1.51 0.01 . 1 . . . . . . . . 6407 1 360 . 1 1 45 45 LYS N N 15 116.57 0.02 . 1 . . . . . . . . 6407 1 361 . 1 1 46 46 LYS H H 1 7.75 0.01 . 1 . . . . . . . . 6407 1 362 . 1 1 46 46 LYS HA H 1 4.20 0.01 . 1 . . . . . . . . 6407 1 363 . 1 1 46 46 LYS HB2 H 1 2.09 0.01 . 2 . . . . . . . . 6407 1 364 . 1 1 46 46 LYS HB3 H 1 1.82 0.01 . 2 . . . . . . . . 6407 1 365 . 1 1 46 46 LYS HG2 H 1 1.30 0.01 . 2 . . . . . . . . 6407 1 366 . 1 1 46 46 LYS HG3 H 1 1.22 0.01 . 2 . . . . . . . . 6407 1 367 . 1 1 46 46 LYS HD2 H 1 1.59 0.01 . 2 . . . . . . . . 6407 1 368 . 1 1 46 46 LYS HD3 H 1 1.52 0.01 . 2 . . . . . . . . 6407 1 369 . 1 1 46 46 LYS N N 15 118.94 0.02 . 1 . . . . . . . . 6407 1 370 . 1 1 47 47 GLN H H 1 7.92 0.01 . 1 . . . . . . . . 6407 1 371 . 1 1 47 47 GLN HA H 1 4.21 0.01 . 1 . . . . . . . . 6407 1 372 . 1 1 47 47 GLN HG2 H 1 2.13 0.01 . 2 . . . . . . . . 6407 1 373 . 1 1 47 47 GLN HG3 H 1 1.87 0.01 . 2 . . . . . . . . 6407 1 374 . 1 1 47 47 GLN HE21 H 1 6.98 0.01 . 2 . . . . . . . . 6407 1 375 . 1 1 47 47 GLN HE22 H 1 6.63 0.01 . 2 . . . . . . . . 6407 1 376 . 1 1 47 47 GLN N N 15 125.79 0.02 . 1 . . . . . . . . 6407 1 377 . 1 1 47 47 GLN NE2 N 15 110.51 0.02 . 1 . . . . . . . . 6407 1 378 . 1 1 48 48 ARG H H 1 8.80 0.01 . 1 . . . . . . . . 6407 1 379 . 1 1 48 48 ARG HA H 1 4.13 0.01 . 1 . . . . . . . . 6407 1 380 . 1 1 48 48 ARG HB2 H 1 2.41 0.01 . 2 . . . . . . . . 6407 1 381 . 1 1 48 48 ARG HB3 H 1 2.20 0.01 . 2 . . . . . . . . 6407 1 382 . 1 1 48 48 ARG HG2 H 1 1.50 0.01 . 1 . . . . . . . . 6407 1 383 . 1 1 48 48 ARG HG3 H 1 1.50 0.01 . 1 . . . . . . . . 6407 1 384 . 1 1 48 48 ARG HD2 H 1 2.19 0.01 . 2 . . . . . . . . 6407 1 385 . 1 1 48 48 ARG HD3 H 1 2.06 0.01 . 2 . . . . . . . . 6407 1 386 . 1 1 48 48 ARG HE H 1 3.79 0.01 . 1 . . . . . . . . 6407 1 387 . 1 1 48 48 ARG N N 15 125.53 0.02 . 1 . . . . . . . . 6407 1 388 . 1 1 49 49 PHE H H 1 8.55 0.01 . 1 . . . . . . . . 6407 1 389 . 1 1 49 49 PHE HA H 1 4.92 0.01 . 1 . . . . . . . . 6407 1 390 . 1 1 49 49 PHE HB2 H 1 3.28 0.01 . 2 . . . . . . . . 6407 1 391 . 1 1 49 49 PHE HB3 H 1 2.63 0.01 . 2 . . . . . . . . 6407 1 392 . 1 1 49 49 PHE HD1 H 1 6.95 0.01 . 1 . . . . . . . . 6407 1 393 . 1 1 49 49 PHE HD2 H 1 6.95 0.01 . 1 . . . . . . . . 6407 1 394 . 1 1 49 49 PHE HE1 H 1 6.56 0.01 . 1 . . . . . . . . 6407 1 395 . 1 1 49 49 PHE HE2 H 1 6.56 0.01 . 1 . . . . . . . . 6407 1 396 . 1 1 49 49 PHE HZ H 1 6.54 0.01 . 4 . . . . . . . . 6407 1 397 . 1 1 49 49 PHE N N 15 118.68 0.02 . 1 . . . . . . . . 6407 1 398 . 1 1 50 50 HIS H H 1 8.81 0.01 . 1 . . . . . . . . 6407 1 399 . 1 1 50 50 HIS HA H 1 5.29 0.01 . 1 . . . . . . . . 6407 1 400 . 1 1 50 50 HIS HB2 H 1 2.79 0.01 . 1 . . . . . . . . 6407 1 401 . 1 1 50 50 HIS HB3 H 1 2.79 0.01 . 1 . . . . . . . . 6407 1 402 . 1 1 50 50 HIS N N 15 119.20 0.02 . 1 . . . . . . . . 6407 1 403 . 1 1 51 51 ASN H H 1 9.18 0.01 . 1 . . . . . . . . 6407 1 404 . 1 1 51 51 ASN HA H 1 4.32 0.01 . 1 . . . . . . . . 6407 1 405 . 1 1 51 51 ASN HB2 H 1 1.80 0.01 . 2 . . . . . . . . 6407 1 406 . 1 1 51 51 ASN HB3 H 1 -0.25 0.01 . 2 . . . . . . . . 6407 1 407 . 1 1 51 51 ASN HD21 H 1 5.75 0.01 . 2 . . . . . . . . 6407 1 408 . 1 1 51 51 ASN HD22 H 1 3.85 0.01 . 2 . . . . . . . . 6407 1 409 . 1 1 51 51 ASN N N 15 130.27 0.02 . 1 . . . . . . . . 6407 1 410 . 1 1 51 51 ASN ND2 N 15 107.35 0.02 . 1 . . . . . . . . 6407 1 411 . 1 1 52 52 ILE H H 1 8.53 0.01 . 1 . . . . . . . . 6407 1 412 . 1 1 52 52 ILE HA H 1 4.22 0.01 . 1 . . . . . . . . 6407 1 413 . 1 1 52 52 ILE HB H 1 1.69 0.01 . 1 . . . . . . . . 6407 1 414 . 1 1 52 52 ILE HG12 H 1 1.32 0.01 . 1 . . . . . . . . 6407 1 415 . 1 1 52 52 ILE HG13 H 1 1.09 0.01 . 1 . . . . . . . . 6407 1 416 . 1 1 52 52 ILE HG21 H 1 0.80 0.01 . 1 . . . . . . . . 6407 1 417 . 1 1 52 52 ILE HG22 H 1 0.80 0.01 . 1 . . . . . . . . 6407 1 418 . 1 1 52 52 ILE HG23 H 1 0.80 0.01 . 1 . . . . . . . . 6407 1 419 . 1 1 52 52 ILE HD11 H 1 0.74 0.01 . 1 . . . . . . . . 6407 1 420 . 1 1 52 52 ILE HD12 H 1 0.74 0.01 . 1 . . . . . . . . 6407 1 421 . 1 1 52 52 ILE HD13 H 1 0.74 0.01 . 1 . . . . . . . . 6407 1 422 . 1 1 52 52 ILE N N 15 128.42 0.02 . 1 . . . . . . . . 6407 1 423 . 1 1 53 53 ARG H H 1 9.45 0.01 . 1 . . . . . . . . 6407 1 424 . 1 1 53 53 ARG HA H 1 3.77 0.01 . 1 . . . . . . . . 6407 1 425 . 1 1 53 53 ARG HB2 H 1 1.73 0.01 . 2 . . . . . . . . 6407 1 426 . 1 1 53 53 ARG HB3 H 1 1.54 0.01 . 2 . . . . . . . . 6407 1 427 . 1 1 53 53 ARG HG2 H 1 1.96 0.01 . 1 . . . . . . . . 6407 1 428 . 1 1 53 53 ARG HG3 H 1 1.96 0.01 . 1 . . . . . . . . 6407 1 429 . 1 1 53 53 ARG HD2 H 1 3.21 0.01 . 2 . . . . . . . . 6407 1 430 . 1 1 53 53 ARG HD3 H 1 3.11 0.01 . 2 . . . . . . . . 6407 1 431 . 1 1 53 53 ARG N N 15 127.37 0.02 . 1 . . . . . . . . 6407 1 432 . 1 1 54 54 GLY H H 1 7.91 0.01 . 1 . . . . . . . . 6407 1 433 . 1 1 54 54 GLY HA2 H 1 4.08 0.01 . 2 . . . . . . . . 6407 1 434 . 1 1 54 54 GLY HA3 H 1 3.58 0.01 . 2 . . . . . . . . 6407 1 435 . 1 1 54 54 GLY N N 15 104.45 0.02 . 1 . . . . . . . . 6407 1 436 . 1 1 55 55 ARG H H 1 7.37 0.01 . 1 . . . . . . . . 6407 1 437 . 1 1 55 55 ARG HA H 1 4.55 0.01 . 1 . . . . . . . . 6407 1 438 . 1 1 55 55 ARG HB2 H 1 1.78 0.01 . 2 . . . . . . . . 6407 1 439 . 1 1 55 55 ARG HB3 H 1 1.66 0.01 . 2 . . . . . . . . 6407 1 440 . 1 1 55 55 ARG HG2 H 1 1.50 0.01 . 1 . . . . . . . . 6407 1 441 . 1 1 55 55 ARG HG3 H 1 1.50 0.01 . 1 . . . . . . . . 6407 1 442 . 1 1 55 55 ARG HD2 H 1 3.11 0.01 . 1 . . . . . . . . 6407 1 443 . 1 1 55 55 ARG HD3 H 1 3.11 0.01 . 1 . . . . . . . . 6407 1 444 . 1 1 55 55 ARG N N 15 120.52 0.02 . 1 . . . . . . . . 6407 1 445 . 1 1 56 56 TRP H H 1 8.82 0.01 . 1 . . . . . . . . 6407 1 446 . 1 1 56 56 TRP HA H 1 4.59 0.01 . 1 . . . . . . . . 6407 1 447 . 1 1 56 56 TRP HB2 H 1 3.01 0.01 . 2 . . . . . . . . 6407 1 448 . 1 1 56 56 TRP HB3 H 1 2.78 0.01 . 2 . . . . . . . . 6407 1 449 . 1 1 56 56 TRP HD1 H 1 7.27 0.01 . 1 . . . . . . . . 6407 1 450 . 1 1 56 56 TRP HE1 H 1 10.18 0.01 . 1 . . . . . . . . 6407 1 451 . 1 1 56 56 TRP HE3 H 1 7.17 0.01 . 1 . . . . . . . . 6407 1 452 . 1 1 56 56 TRP HZ2 H 1 7.54 0.01 . 1 . . . . . . . . 6407 1 453 . 1 1 56 56 TRP HZ3 H 1 6.90 0.01 . 1 . . . . . . . . 6407 1 454 . 1 1 56 56 TRP HH2 H 1 6.77 0.01 . 1 . . . . . . . . 6407 1 455 . 1 1 56 56 TRP N N 15 123.42 0.02 . 1 . . . . . . . . 6407 1 456 . 1 1 56 56 TRP NE1 N 15 123.26 0.02 . 1 . . . . . . . . 6407 1 457 . 1 1 57 57 THR H H 1 9.05 0.01 . 1 . . . . . . . . 6407 1 458 . 1 1 57 57 THR HA H 1 5.87 0.01 . 1 . . . . . . . . 6407 1 459 . 1 1 57 57 THR HB H 1 4.31 0.01 . 1 . . . . . . . . 6407 1 460 . 1 1 57 57 THR HG21 H 1 1.17 0.01 . 1 . . . . . . . . 6407 1 461 . 1 1 57 57 THR HG22 H 1 1.17 0.01 . 1 . . . . . . . . 6407 1 462 . 1 1 57 57 THR HG23 H 1 1.17 0.01 . 1 . . . . . . . . 6407 1 463 . 1 1 57 57 THR N N 15 115.78 0.02 . 1 . . . . . . . . 6407 1 464 . 1 1 58 58 GLY H H 1 7.96 0.01 . 1 . . . . . . . . 6407 1 465 . 1 1 58 58 GLY HA2 H 1 4.94 0.01 . 2 . . . . . . . . 6407 1 466 . 1 1 58 58 GLY HA3 H 1 3.62 0.01 . 2 . . . . . . . . 6407 1 467 . 1 1 58 58 GLY N N 15 109.72 0.02 . 1 . . . . . . . . 6407 1 468 . 1 1 59 59 ARG H H 1 10.55 0.01 . 1 . . . . . . . . 6407 1 469 . 1 1 59 59 ARG HA H 1 5.73 0.01 . 1 . . . . . . . . 6407 1 470 . 1 1 59 59 ARG HB2 H 1 1.68 0.01 . 1 . . . . . . . . 6407 1 471 . 1 1 59 59 ARG HB3 H 1 1.68 0.01 . 1 . . . . . . . . 6407 1 472 . 1 1 59 59 ARG HG2 H 1 1.72 0.01 . 1 . . . . . . . . 6407 1 473 . 1 1 59 59 ARG HG3 H 1 1.72 0.01 . 1 . . . . . . . . 6407 1 474 . 1 1 59 59 ARG HD2 H 1 3.09 0.01 . 1 . . . . . . . . 6407 1 475 . 1 1 59 59 ARG HD3 H 1 3.09 0.01 . 1 . . . . . . . . 6407 1 476 . 1 1 59 59 ARG HE H 1 7.55 0.01 . 1 . . . . . . . . 6407 1 477 . 1 1 59 59 ARG N N 15 129.22 0.02 . 1 . . . . . . . . 6407 1 478 . 1 1 60 60 CYS H H 1 9.54 0.01 . 1 . . . . . . . . 6407 1 479 . 1 1 60 60 CYS HA H 1 4.42 0.01 . 1 . . . . . . . . 6407 1 480 . 1 1 60 60 CYS HB2 H 1 3.89 0.01 . 2 . . . . . . . . 6407 1 481 . 1 1 60 60 CYS HB3 H 1 2.58 0.01 . 2 . . . . . . . . 6407 1 482 . 1 1 60 60 CYS N N 15 129.48 0.02 . 1 . . . . . . . . 6407 1 483 . 1 1 61 61 MET H H 1 9.78 0.01 . 1 . . . . . . . . 6407 1 484 . 1 1 61 61 MET HA H 1 4.09 0.01 . 1 . . . . . . . . 6407 1 485 . 1 1 61 61 MET HB2 H 1 2.26 0.01 . 2 . . . . . . . . 6407 1 486 . 1 1 61 61 MET HB3 H 1 2.16 0.01 . 2 . . . . . . . . 6407 1 487 . 1 1 61 61 MET HG2 H 1 2.79 0.01 . 2 . . . . . . . . 6407 1 488 . 1 1 61 61 MET HG3 H 1 2.71 0.01 . 2 . . . . . . . . 6407 1 489 . 1 1 61 61 MET HE1 H 1 2.40 0.01 . 1 . . . . . . . . 6407 1 490 . 1 1 61 61 MET HE2 H 1 2.40 0.01 . 1 . . . . . . . . 6407 1 491 . 1 1 61 61 MET HE3 H 1 2.40 0.01 . 1 . . . . . . . . 6407 1 492 . 1 1 61 61 MET N N 15 121.05 0.02 . 1 . . . . . . . . 6407 1 493 . 1 1 62 62 SER H H 1 8.63 0.01 . 1 . . . . . . . . 6407 1 494 . 1 1 62 62 SER HA H 1 4.22 0.01 . 1 . . . . . . . . 6407 1 495 . 1 1 62 62 SER HB2 H 1 4.02 0.01 . 1 . . . . . . . . 6407 1 496 . 1 1 62 62 SER HB3 H 1 4.02 0.01 . 1 . . . . . . . . 6407 1 497 . 1 1 62 62 SER N N 15 118.15 0.02 . 1 . . . . . . . . 6407 1 498 . 1 1 63 63 CYS H H 1 8.80 0.01 . 1 . . . . . . . . 6407 1 499 . 1 1 63 63 CYS HA H 1 4.13 0.01 . 1 . . . . . . . . 6407 1 500 . 1 1 63 63 CYS HB2 H 1 3.06 0.01 . 2 . . . . . . . . 6407 1 501 . 1 1 63 63 CYS HB3 H 1 2.83 0.01 . 2 . . . . . . . . 6407 1 502 . 1 1 63 63 CYS N N 15 124.47 0.02 . 1 . . . . . . . . 6407 1 503 . 1 1 64 64 SER H H 1 7.99 0.01 . 1 . . . . . . . . 6407 1 504 . 1 1 64 64 SER HA H 1 4.29 0.01 . 1 . . . . . . . . 6407 1 505 . 1 1 64 64 SER HB2 H 1 3.96 0.01 . 2 . . . . . . . . 6407 1 506 . 1 1 64 64 SER HB3 H 1 3.85 0.01 . 2 . . . . . . . . 6407 1 507 . 1 1 64 64 SER N N 15 116.57 0.02 . 1 . . . . . . . . 6407 1 508 . 1 1 65 65 ARG H H 1 7.64 0.01 . 1 . . . . . . . . 6407 1 509 . 1 1 65 65 ARG HA H 1 4.26 0.01 . 1 . . . . . . . . 6407 1 510 . 1 1 65 65 ARG HB2 H 1 1.84 0.01 . 2 . . . . . . . . 6407 1 511 . 1 1 65 65 ARG HB3 H 1 1.90 0.01 . 2 . . . . . . . . 6407 1 512 . 1 1 65 65 ARG HG2 H 1 1.74 0.01 . 2 . . . . . . . . 6407 1 513 . 1 1 65 65 ARG HG3 H 1 1.63 0.01 . 2 . . . . . . . . 6407 1 514 . 1 1 65 65 ARG N N 15 121.84 0.02 . 1 . . . . . . . . 6407 1 515 . 1 1 66 66 SER H H 1 7.94 0.01 . 1 . . . . . . . . 6407 1 516 . 1 1 66 66 SER HA H 1 4.31 0.01 . 1 . . . . . . . . 6407 1 517 . 1 1 66 66 SER HB2 H 1 3.95 0.01 . 2 . . . . . . . . 6407 1 518 . 1 1 66 66 SER HB3 H 1 3.84 0.01 . 2 . . . . . . . . 6407 1 519 . 1 1 66 66 SER N N 15 116.83 0.02 . 1 . . . . . . . . 6407 1 520 . 1 1 67 67 SER H H 1 7.93 0.01 . 1 . . . . . . . . 6407 1 521 . 1 1 67 67 SER HA H 1 4.56 0.01 . 1 . . . . . . . . 6407 1 522 . 1 1 67 67 SER HB2 H 1 4.02 0.01 . 1 . . . . . . . . 6407 1 523 . 1 1 67 67 SER HB3 H 1 4.02 0.01 . 1 . . . . . . . . 6407 1 524 . 1 1 67 67 SER N N 15 118.53 0.02 . 1 . . . . . . . . 6407 1 525 . 1 1 68 68 ARG H H 1 8.33 0.01 . 1 . . . . . . . . 6407 1 526 . 1 1 68 68 ARG HA H 1 4.37 0.01 . 1 . . . . . . . . 6407 1 527 . 1 1 68 68 ARG HB2 H 1 1.85 0.01 . 2 . . . . . . . . 6407 1 528 . 1 1 68 68 ARG HB3 H 1 1.74 0.01 . 2 . . . . . . . . 6407 1 529 . 1 1 68 68 ARG HG2 H 1 1.76 0.01 . 2 . . . . . . . . 6407 1 530 . 1 1 68 68 ARG HG3 H 1 1.60 0.01 . 2 . . . . . . . . 6407 1 531 . 1 1 68 68 ARG HD2 H 1 3.15 0.01 . 1 . . . . . . . . 6407 1 532 . 1 1 68 68 ARG HD3 H 1 3.15 0.01 . 1 . . . . . . . . 6407 1 533 . 1 1 68 68 ARG N N 15 124.47 0.02 . 1 . . . . . . . . 6407 1 534 . 1 1 69 69 THR H H 1 8.13 0.01 . 1 . . . . . . . . 6407 1 535 . 1 1 69 69 THR HA H 1 4.27 0.01 . 1 . . . . . . . . 6407 1 536 . 1 1 69 69 THR HB H 1 4.15 0.01 . 1 . . . . . . . . 6407 1 537 . 1 1 69 69 THR HG21 H 1 1.21 0.01 . 1 . . . . . . . . 6407 1 538 . 1 1 69 69 THR HG22 H 1 1.21 0.01 . 1 . . . . . . . . 6407 1 539 . 1 1 69 69 THR HG23 H 1 1.21 0.01 . 1 . . . . . . . . 6407 1 540 . 1 1 69 69 THR N N 15 115.78 0.02 . 1 . . . . . . . . 6407 1 541 . 1 1 70 70 ARG H H 1 8.33 0.01 . 1 . . . . . . . . 6407 1 542 . 1 1 70 70 ARG HA H 1 4.29 0.01 . 1 . . . . . . . . 6407 1 543 . 1 1 70 70 ARG HB2 H 1 2.10 0.01 . 2 . . . . . . . . 6407 1 544 . 1 1 70 70 ARG HB3 H 1 1.97 0.01 . 2 . . . . . . . . 6407 1 545 . 1 1 70 70 ARG HG2 H 1 2.42 0.01 . 2 . . . . . . . . 6407 1 546 . 1 1 70 70 ARG HG3 H 1 2.23 0.01 . 2 . . . . . . . . 6407 1 547 . 1 1 71 71 ARG H H 1 8.44 0.01 . 1 . . . . . . . . 6407 1 548 . 1 1 71 71 ARG HA H 1 4.26 0.01 . 1 . . . . . . . . 6407 1 549 . 1 1 71 71 ARG HB2 H 1 1.80 0.01 . 2 . . . . . . . . 6407 1 550 . 1 1 71 71 ARG HB3 H 1 1.72 0.01 . 2 . . . . . . . . 6407 1 551 . 1 1 71 71 ARG HG2 H 1 1.59 0.01 . 1 . . . . . . . . 6407 1 552 . 1 1 71 71 ARG HG3 H 1 1.59 0.01 . 1 . . . . . . . . 6407 1 553 . 1 1 71 71 ARG HD2 H 1 3.15 0.01 . 1 . . . . . . . . 6407 1 554 . 1 1 71 71 ARG HD3 H 1 3.15 0.01 . 1 . . . . . . . . 6407 1 555 . 1 1 71 71 ARG N N 15 123.42 0.02 . 1 . . . . . . . . 6407 1 556 . 1 1 72 72 GLU H H 1 8.59 0.01 . 1 . . . . . . . . 6407 1 557 . 1 1 72 72 GLU HA H 1 4.27 0.01 . 1 . . . . . . . . 6407 1 558 . 1 1 72 72 GLU HB2 H 1 2.03 0.01 . 2 . . . . . . . . 6407 1 559 . 1 1 72 72 GLU HB3 H 1 1.92 0.01 . 2 . . . . . . . . 6407 1 560 . 1 1 72 72 GLU HG2 H 1 2.28 0.01 . 1 . . . . . . . . 6407 1 561 . 1 1 72 72 GLU HG3 H 1 2.28 0.01 . 1 . . . . . . . . 6407 1 562 . 1 1 72 72 GLU N N 15 122.89 0.02 . 1 . . . . . . . . 6407 1 563 . 1 1 73 73 THR H H 1 8.14 0.01 . 1 . . . . . . . . 6407 1 564 . 1 1 73 73 THR HA H 1 4.29 0.01 . 1 . . . . . . . . 6407 1 565 . 1 1 73 73 THR HB H 1 4.16 0.01 . 1 . . . . . . . . 6407 1 566 . 1 1 73 73 THR HG21 H 1 1.15 0.01 . 1 . . . . . . . . 6407 1 567 . 1 1 73 73 THR HG22 H 1 1.15 0.01 . 1 . . . . . . . . 6407 1 568 . 1 1 73 73 THR HG23 H 1 1.15 0.01 . 1 . . . . . . . . 6407 1 569 . 1 1 73 73 THR N N 15 115.51 0.02 . 1 . . . . . . . . 6407 1 570 . 1 1 74 74 GLN H H 1 8.38 0.01 . 1 . . . . . . . . 6407 1 571 . 1 1 74 74 GLN HA H 1 4.30 0.01 . 1 . . . . . . . . 6407 1 572 . 1 1 74 74 GLN HB2 H 1 2.08 0.01 . 2 . . . . . . . . 6407 1 573 . 1 1 74 74 GLN HB3 H 1 1.95 0.01 . 2 . . . . . . . . 6407 1 574 . 1 1 74 74 GLN HG2 H 1 2.31 0.01 . 1 . . . . . . . . 6407 1 575 . 1 1 74 74 GLN HG3 H 1 2.31 0.01 . 1 . . . . . . . . 6407 1 576 . 1 1 74 74 GLN HE21 H 1 6.88 0.01 . 2 . . . . . . . . 6407 1 577 . 1 1 74 74 GLN HE22 H 1 7.66 0.01 . 2 . . . . . . . . 6407 1 578 . 1 1 74 74 GLN N N 15 124.47 0.02 . 1 . . . . . . . . 6407 1 579 . 1 1 74 74 GLN NE2 N 15 113.93 0.02 . 1 . . . . . . . . 6407 1 580 . 1 1 75 75 LEU H H 1 8.02 0.01 . 1 . . . . . . . . 6407 1 581 . 1 1 75 75 LEU HA H 1 4.12 0.01 . 1 . . . . . . . . 6407 1 582 . 1 1 75 75 LEU HB2 H 1 1.56 0.01 . 1 . . . . . . . . 6407 1 583 . 1 1 75 75 LEU HB3 H 1 1.56 0.01 . 1 . . . . . . . . 6407 1 584 . 1 1 75 75 LEU HG H 1 0.84 0.01 . 1 . . . . . . . . 6407 1 585 . 1 1 75 75 LEU HD11 H 1 0.79 0.01 . 1 . . . . . . . . 6407 1 586 . 1 1 75 75 LEU HD12 H 1 0.79 0.01 . 1 . . . . . . . . 6407 1 587 . 1 1 75 75 LEU HD13 H 1 0.79 0.01 . 1 . . . . . . . . 6407 1 588 . 1 1 75 75 LEU HD21 H 1 0.79 0.01 . 1 . . . . . . . . 6407 1 589 . 1 1 75 75 LEU HD22 H 1 0.79 0.01 . 1 . . . . . . . . 6407 1 590 . 1 1 75 75 LEU HD23 H 1 0.79 0.01 . 1 . . . . . . . . 6407 1 591 . 1 1 75 75 LEU N N 15 130.80 0.02 . 1 . . . . . . . . 6407 1 stop_ save_