data_16983 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16983 _Entry.Title ; The solution structure of the PHD3 finger of MLL ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-06-08 _Entry.Accession_date 2010-06-08 _Entry.Last_release_date 2010-08-12 _Entry.Original_release_date 2010-08-12 _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 . _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 Sangho Park . . . 16983 2 John Bushweller . H. . 16983 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' . 16983 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID PHD . 16983 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16983 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 262 16983 '15N chemical shifts' 67 16983 '1H chemical shifts' 429 16983 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 . . 2010-08-12 2010-06-08 original author . 16983 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KYU 'BMRB Entry Tracking System' 16983 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16983 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20677832 _Citation.Full_citation . _Citation.Title 'The PHD3 Domain of MLL Acts as a CYP33-Regulated Switch between MLL-Mediated Activation and Repression .' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 49 _Citation.Journal_issue 31 _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 6576 _Citation.Page_last 6586 _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 Sangho Park . . . 16983 1 2 Ute Osmers . . . 16983 1 3 Gayathree Raman . . . 16983 1 4 Rebecca Schwantes . H. . 16983 1 5 Manuel Diaz . O. . 16983 1 6 John Bushweller . H. . 16983 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16983 _Assembly.ID 1 _Assembly.Name 'PHD3 finger of MLL' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _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 PHD3 1 $PHD3 A . yes native no no . . . 16983 1 2 'ZINC ION_1' 2 $ZN B . no native no no . . . 16983 1 3 'ZINC ION_2' 2 $ZN C . no native no no . . . 16983 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PHD3 _Entity.Sf_category entity _Entity.Sf_framecode PHD3 _Entity.Entry_ID 16983 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PHD3 _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 ; GSAKGNFCPLCDKCYDDDDY ESKMMQCGKCDRWVHSKCEN LSDEMYEILSNLPESVAYTC VNCTERH ; _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 67 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and other bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7719.658 _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 PDB 2KU7 . "Solution Structure Of Mll1 Phd3-Cyp33 Rrm Chimeric Protein" . . . . . 65.67 140 100.00 100.00 9.21e-24 . . . . 16983 1 2 no PDB 2KYU . "The Solution Structure Of The Phd3 Finger Of Mll" . . . . . 100.00 67 100.00 100.00 4.25e-41 . . . . 16983 1 3 no PDB 3LQH . "Crystal Structure Of Mll1 Phd3-Bromo In The Free Form" . . . . . 94.03 183 100.00 100.00 3.01e-39 . . . . 16983 1 4 no PDB 3LQI . "Crystal Structure Of Mll1 Phd3-Bromo Complexed With H3(1-9)k4me2 Peptide" . . . . . 94.03 183 100.00 100.00 3.01e-39 . . . . 16983 1 5 no PDB 3LQJ . "Crystal Structure Of Mll1 Phd3-Bromo Complexed With H3(1-9)k4me3 Peptide" . . . . . 94.03 183 100.00 100.00 3.01e-39 . . . . 16983 1 6 no DBJ BAA03407 . "MLL [Homo sapiens]" . . . . . 97.01 1909 100.00 100.00 6.18e-40 . . . . 16983 1 7 no DBJ BAD92745 . "myeloid/lymphoid or mixed-lineage leukemia (trithorax homolog, Drosophila) variant [Homo sapiens]" . . . . . 97.01 2880 100.00 100.00 1.77e-38 . . . . 16983 1 8 no EMBL CAA58584 . "ALL-1 protein [Homo sapiens]" . . . . . 59.70 395 100.00 100.00 6.81e-10 . . . . 16983 1 9 no GB AAA58669 . "HRX [Homo sapiens]" . . . . . 97.01 3969 100.00 100.00 2.99e-40 . . . . 16983 1 10 no GB AAA92511 . "trithorax, partial [Homo sapiens]" . . . . . 97.01 1012 100.00 100.00 2.68e-37 . . . . 16983 1 11 no GB AAB34770 . "trx Zinc-finger region homolog, partial [Homo sapiens]" . . . . . 97.01 366 98.46 98.46 1.22e-37 . . . . 16983 1 12 no GB AAM33377 . "CDK6/MLL fusion protein [Homo sapiens]" . . . . . 95.52 182 100.00 100.00 1.73e-37 . . . . 16983 1 13 no GB AAQ63624 . "myeloid/lymphoid or mixed-lineage leukemia (trithorax homolog, Drosophila) [Homo sapiens]" . . . . . 97.01 3969 100.00 100.00 2.99e-40 . . . . 16983 1 14 no REF NP_001074518 . "histone-lysine N-methyltransferase 2A [Mus musculus]" . . . . . 97.01 3963 98.46 100.00 1.28e-39 . . . . 16983 1 15 no REF NP_005924 . "histone-lysine N-methyltransferase 2A isoform 2 precursor [Homo sapiens]" . . . . . 97.01 3969 100.00 100.00 2.99e-40 . . . . 16983 1 16 no REF XP_003253537 . "PREDICTED: histone-lysine N-methyltransferase 2A [Nomascus leucogenys]" . . . . . 97.01 3968 100.00 100.00 5.97e-40 . . . . 16983 1 17 no REF XP_003910832 . "PREDICTED: histone-lysine N-methyltransferase 2A isoform X3 [Papio anubis]" . . . . . 97.01 3968 100.00 100.00 2.98e-40 . . . . 16983 1 18 no REF XP_004052287 . "PREDICTED: histone-lysine N-methyltransferase MLL [Gorilla gorilla gorilla]" . . . . . 97.01 3837 100.00 100.00 1.28e-40 . . . . 16983 1 19 no SP Q03164 . "RecName: Full=Histone-lysine N-methyltransferase 2A; Short=Lysine N-methyltransferase 2A; AltName: Full=ALL-1; AltName: Full=CX" . . . . . 97.01 3969 100.00 100.00 2.99e-40 . . . . 16983 1 20 no TPG DAA22311 . "TPA: myeloid/lymphoid or mixed-lineage leukemia-like [Bos taurus]" . . . . . 97.01 3821 100.00 100.00 5.08e-40 . . . . 16983 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 . GLY . 16983 1 2 . SER . 16983 1 3 . ALA . 16983 1 4 . LYS . 16983 1 5 . GLY . 16983 1 6 . ASN . 16983 1 7 . PHE . 16983 1 8 . CYS . 16983 1 9 . PRO . 16983 1 10 . LEU . 16983 1 11 . CYS . 16983 1 12 . ASP . 16983 1 13 . LYS . 16983 1 14 . CYS . 16983 1 15 . TYR . 16983 1 16 . ASP . 16983 1 17 . ASP . 16983 1 18 . ASP . 16983 1 19 . ASP . 16983 1 20 . TYR . 16983 1 21 . GLU . 16983 1 22 . SER . 16983 1 23 . LYS . 16983 1 24 . MET . 16983 1 25 . MET . 16983 1 26 . GLN . 16983 1 27 . CYS . 16983 1 28 . GLY . 16983 1 29 . LYS . 16983 1 30 . CYS . 16983 1 31 . ASP . 16983 1 32 . ARG . 16983 1 33 . TRP . 16983 1 34 . VAL . 16983 1 35 . HIS . 16983 1 36 . SER . 16983 1 37 . LYS . 16983 1 38 . CYS . 16983 1 39 . GLU . 16983 1 40 . ASN . 16983 1 41 . LEU . 16983 1 42 . SER . 16983 1 43 . ASP . 16983 1 44 . GLU . 16983 1 45 . MET . 16983 1 46 . TYR . 16983 1 47 . GLU . 16983 1 48 . ILE . 16983 1 49 . LEU . 16983 1 50 . SER . 16983 1 51 . ASN . 16983 1 52 . LEU . 16983 1 53 . PRO . 16983 1 54 . GLU . 16983 1 55 . SER . 16983 1 56 . VAL . 16983 1 57 . ALA . 16983 1 58 . TYR . 16983 1 59 . THR . 16983 1 60 . CYS . 16983 1 61 . VAL . 16983 1 62 . ASN . 16983 1 63 . CYS . 16983 1 64 . THR . 16983 1 65 . GLU . 16983 1 66 . ARG . 16983 1 67 . HIS . 16983 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 16983 1 . SER 2 2 16983 1 . ALA 3 3 16983 1 . LYS 4 4 16983 1 . GLY 5 5 16983 1 . ASN 6 6 16983 1 . PHE 7 7 16983 1 . CYS 8 8 16983 1 . PRO 9 9 16983 1 . LEU 10 10 16983 1 . CYS 11 11 16983 1 . ASP 12 12 16983 1 . LYS 13 13 16983 1 . CYS 14 14 16983 1 . TYR 15 15 16983 1 . ASP 16 16 16983 1 . ASP 17 17 16983 1 . ASP 18 18 16983 1 . ASP 19 19 16983 1 . TYR 20 20 16983 1 . GLU 21 21 16983 1 . SER 22 22 16983 1 . LYS 23 23 16983 1 . MET 24 24 16983 1 . MET 25 25 16983 1 . GLN 26 26 16983 1 . CYS 27 27 16983 1 . GLY 28 28 16983 1 . LYS 29 29 16983 1 . CYS 30 30 16983 1 . ASP 31 31 16983 1 . ARG 32 32 16983 1 . TRP 33 33 16983 1 . VAL 34 34 16983 1 . HIS 35 35 16983 1 . SER 36 36 16983 1 . LYS 37 37 16983 1 . CYS 38 38 16983 1 . GLU 39 39 16983 1 . ASN 40 40 16983 1 . LEU 41 41 16983 1 . SER 42 42 16983 1 . ASP 43 43 16983 1 . GLU 44 44 16983 1 . MET 45 45 16983 1 . TYR 46 46 16983 1 . GLU 47 47 16983 1 . ILE 48 48 16983 1 . LEU 49 49 16983 1 . SER 50 50 16983 1 . ASN 51 51 16983 1 . LEU 52 52 16983 1 . PRO 53 53 16983 1 . GLU 54 54 16983 1 . SER 55 55 16983 1 . VAL 56 56 16983 1 . ALA 57 57 16983 1 . TYR 58 58 16983 1 . THR 59 59 16983 1 . CYS 60 60 16983 1 . VAL 61 61 16983 1 . ASN 62 62 16983 1 . CYS 63 63 16983 1 . THR 64 64 16983 1 . GLU 65 65 16983 1 . ARG 66 66 16983 1 . HIS 67 67 16983 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 16983 _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 no _Entity.Thiol_state 'not present' _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 . 16983 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 16983 _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 $PHD3 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 16983 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 16983 _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 $PHD3 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . 'GE Healthcare' . . . . . . 16983 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 16983 _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 . _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 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 no _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 Tue Jun 9 16:52:42 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 InChI=1/Zn/q+2 InChI InChI 1.02b 16983 ZN PTFCDOFLOPIGGS-UHFFFAOYAK InChIKey InChI 1.02b 16983 ZN [Zn++] SMILES CACTVS 3.341 16983 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 16983 ZN [Zn+2] SMILES ACDLabs 10.04 16983 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 16983 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 16983 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 16983 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 16983 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 . . . . . . . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 . . 16983 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16983 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 PHD3 '[U-98% 13C; U-98% 15N]' . . 1 $PHD3 . . 1 . . mM . . . . 16983 1 2 'ZINC ION' 'natural abundance' . . 2 $ZN . . 100 . . uM . . . . 16983 1 3 'potassium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 16983 1 4 DTT 'natural abundance' . . . . . . 3 . . mM . . . . 16983 1 5 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 16983 1 6 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 16983 1 7 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16983 1 8 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16983 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16983 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.9 . pH 16983 1 temperature 303 . K 16983 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 16983 _Software.ID 1 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 16983 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16983 1 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 16983 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 16983 _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 Avance . 600 . . . 16983 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 16983 _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 . . . . . . . . . . . . . . . . 16983 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16983 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16983 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16983 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16983 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16983 1 7 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16983 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16983 1 9 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16983 1 10 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16983 1 11 '3D TROSY-HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16983 1 12 '3D TROSY-HNCO' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16983 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 16983 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 16983 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16983 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16983 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 16983 _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' . . . 16983 1 2 '2D 1H-13C HSQC' . . . 16983 1 3 '3D HNCO' . . . 16983 1 4 '3D HNCACB' . . . 16983 1 5 '3D CBCA(CO)NH' . . . 16983 1 8 '3D HCCH-TOCSY' . . . 16983 1 10 '3D C(CO)NH' . . . 16983 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 SER HA H 1 4.446 . . 1 . . . . 2 S HA . 16983 1 2 . 1 1 2 2 SER HB2 H 1 3.811 . . 2 . . . . 2 S QB . 16983 1 3 . 1 1 2 2 SER HB3 H 1 3.811 . . 2 . . . . 2 S QB . 16983 1 4 . 1 1 2 2 SER CA C 13 58.188 . . 1 . . . . 2 S CA . 16983 1 5 . 1 1 2 2 SER CB C 13 64.144 . . 1 . . . . 2 S CB . 16983 1 6 . 1 1 3 3 ALA HA H 1 4.004 . . 1 . . . . 3 A HA . 16983 1 7 . 1 1 3 3 ALA HB1 H 1 1.144 . . . . . . . 3 A QB . 16983 1 8 . 1 1 3 3 ALA HB2 H 1 1.144 . . . . . . . 3 A QB . 16983 1 9 . 1 1 3 3 ALA HB3 H 1 1.144 . . . . . . . 3 A QB . 16983 1 10 . 1 1 3 3 ALA C C 13 177.032 . . 1 . . . . 3 A C . 16983 1 11 . 1 1 3 3 ALA CA C 13 52.895 . . 1 . . . . 3 A CA . 16983 1 12 . 1 1 3 3 ALA CB C 13 19.245 . . 1 . . . . 3 A CB . 16983 1 13 . 1 1 4 4 LYS H H 1 8.050 . . 1 . . . . 4 K H . 16983 1 14 . 1 1 4 4 LYS HA H 1 4.137 . . 1 . . . . 4 K HA . 16983 1 15 . 1 1 4 4 LYS HB2 H 1 1.673 . . 2 . . . . 4 K HB2 . 16983 1 16 . 1 1 4 4 LYS HB3 H 1 1.633 . . 2 . . . . 4 K HB3 . 16983 1 17 . 1 1 4 4 LYS HD2 H 1 1.508 . . 2 . . . . 4 K QD . 16983 1 18 . 1 1 4 4 LYS HD3 H 1 1.508 . . 2 . . . . 4 K QD . 16983 1 19 . 1 1 4 4 LYS HE2 H 1 2.810 . . 2 . . . . 4 K QE . 16983 1 20 . 1 1 4 4 LYS HE3 H 1 2.810 . . 2 . . . . 4 K QE . 16983 1 21 . 1 1 4 4 LYS HG2 H 1 1.265 . . 2 . . . . 4 K HG2 . 16983 1 22 . 1 1 4 4 LYS HG3 H 1 1.231 . . 2 . . . . 4 K HG3 . 16983 1 23 . 1 1 4 4 LYS C C 13 176.936 . . 1 . . . . 4 K C . 16983 1 24 . 1 1 4 4 LYS CA C 13 56.717 . . 1 . . . . 4 K CA . 16983 1 25 . 1 1 4 4 LYS CB C 13 33.013 . . 1 . . . . 4 K CB . 16983 1 26 . 1 1 4 4 LYS CD C 13 29.076 . . 1 . . . . 4 K CD . 16983 1 27 . 1 1 4 4 LYS CE C 13 42.189 . . 1 . . . . 4 K CE . 16983 1 28 . 1 1 4 4 LYS CG C 13 24.737 . . 1 . . . . 4 K CG . 16983 1 29 . 1 1 4 4 LYS N N 15 119.644 . . 1 . . . . 4 K N . 16983 1 30 . 1 1 5 5 GLY H H 1 8.255 . . 1 . . . . 5 G H . 16983 1 31 . 1 1 5 5 GLY HA2 H 1 3.880 . . 2 . . . . 5 G HA2 . 16983 1 32 . 1 1 5 5 GLY HA3 H 1 3.781 . . 2 . . . . 5 G HA3 . 16983 1 33 . 1 1 5 5 GLY C C 13 173.536 . . 1 . . . . 5 G C . 16983 1 34 . 1 1 5 5 GLY CA C 13 45.378 . . 1 . . . . 5 G CA . 16983 1 35 . 1 1 5 5 GLY N N 15 109.507 . . 1 . . . . 5 G N . 16983 1 36 . 1 1 6 6 ASN H H 1 8.106 . . 1 . . . . 6 N H . 16983 1 37 . 1 1 6 6 ASN HA H 1 4.726 . . 1 . . . . 6 N HA . 16983 1 38 . 1 1 6 6 ASN HB2 H 1 2.498 . . 2 . . . . 6 N QB . 16983 1 39 . 1 1 6 6 ASN HB3 H 1 2.498 . . 2 . . . . 6 N QB . 16983 1 40 . 1 1 6 6 ASN HD21 H 1 7.121 . . 2 . . . . 6 N HD21 . 16983 1 41 . 1 1 6 6 ASN HD22 H 1 6.732 . . 2 . . . . 6 N HD22 . 16983 1 42 . 1 1 6 6 ASN CA C 13 53.006 . . 1 . . . . 6 N CA . 16983 1 43 . 1 1 6 6 ASN CB C 13 39.202 . . 1 . . . . 6 N CB . 16983 1 44 . 1 1 6 6 ASN N N 15 118.536 . . 1 . . . . 6 N N . 16983 1 45 . 1 1 6 6 ASN ND2 N 15 113.383 . . 1 . . . . 6 N ND2 . 16983 1 46 . 1 1 7 7 PHE H H 1 8.130 . . 1 . . . . 7 F H . 16983 1 47 . 1 1 7 7 PHE HA H 1 4.629 . . 1 . . . . 7 F HA . 16983 1 48 . 1 1 7 7 PHE HB2 H 1 2.733 . . 2 . . . . 7 F QB . 16983 1 49 . 1 1 7 7 PHE HB3 H 1 2.733 . . 2 . . . . 7 F QB . 16983 1 50 . 1 1 7 7 PHE HD1 H 1 7.011 . . 3 . . . . 7 F QD . 16983 1 51 . 1 1 7 7 PHE HD2 H 1 7.011 . . 3 . . . . 7 F QD . 16983 1 52 . 1 1 7 7 PHE HE1 H 1 7.001 . . 3 . . . . 7 F QE . 16983 1 53 . 1 1 7 7 PHE HE2 H 1 7.001 . . 3 . . . . 7 F QE . 16983 1 54 . 1 1 7 7 PHE HZ H 1 6.761 . . 1 . . . . 7 F HZ . 16983 1 55 . 1 1 7 7 PHE C C 13 174.746 . . 1 . . . . 7 F C . 16983 1 56 . 1 1 7 7 PHE CA C 13 56.392 . . 1 . . . . 7 F CA . 16983 1 57 . 1 1 7 7 PHE CB C 13 41.216 . . 1 . . . . 7 F CB . 16983 1 58 . 1 1 7 7 PHE N N 15 119.094 . . 1 . . . . 7 F N . 16983 1 59 . 1 1 8 8 CYS H H 1 8.278 . . 1 . . . . 8 C H . 16983 1 60 . 1 1 8 8 CYS HA H 1 5.140 . . 1 . . . . 8 C HA . 16983 1 61 . 1 1 8 8 CYS HB2 H 1 3.372 . . 2 . . . . 8 C HB2 . 16983 1 62 . 1 1 8 8 CYS HB3 H 1 2.312 . . 2 . . . . 8 C HB3 . 16983 1 63 . 1 1 8 8 CYS CA C 13 55.823 . . 1 . . . . 8 C CA . 16983 1 64 . 1 1 8 8 CYS CB C 13 31.897 . . 1 . . . . 8 C CB . 16983 1 65 . 1 1 8 8 CYS N N 15 127.665 . . 1 . . . . 8 C N . 16983 1 66 . 1 1 9 9 PRO HA H 1 4.617 . . 1 . . . . 9 P HA . 16983 1 67 . 1 1 9 9 PRO HB2 H 1 2.338 . . 2 . . . . 9 P HB2 . 16983 1 68 . 1 1 9 9 PRO HB3 H 1 2.078 . . 2 . . . . 9 P HB3 . 16983 1 69 . 1 1 9 9 PRO HD2 H 1 4.363 . . 2 . . . . 9 P HD2 . 16983 1 70 . 1 1 9 9 PRO HD3 H 1 4.058 . . 2 . . . . 9 P HD3 . 16983 1 71 . 1 1 9 9 PRO HG2 H 1 2.067 . . 2 . . . . 9 P HG2 . 16983 1 72 . 1 1 9 9 PRO HG3 H 1 2.012 . . 2 . . . . 9 P HG3 . 16983 1 73 . 1 1 9 9 PRO C C 13 176.973 . . 1 . . . . 9 P C . 16983 1 74 . 1 1 9 9 PRO CA C 13 63.786 . . 1 . . . . 9 P CA . 16983 1 75 . 1 1 9 9 PRO CB C 13 32.400 . . 1 . . . . 9 P CB . 16983 1 76 . 1 1 9 9 PRO CD C 13 51.520 . . 1 . . . . 9 P CD . 16983 1 77 . 1 1 9 9 PRO CG C 13 27.294 . . 1 . . . . 9 P CG . 16983 1 78 . 1 1 10 10 LEU H H 1 8.867 . . 1 . . . . 10 L H . 16983 1 79 . 1 1 10 10 LEU HA H 1 4.483 . . 1 . . . . 10 L HA . 16983 1 80 . 1 1 10 10 LEU HB2 H 1 1.948 . . 2 . . . . 10 L HB2 . 16983 1 81 . 1 1 10 10 LEU HB3 H 1 1.647 . . 2 . . . . 10 L HB3 . 16983 1 82 . 1 1 10 10 LEU HD11 H 1 0.961 . . . . . . . 10 L QD1 . 16983 1 83 . 1 1 10 10 LEU HD12 H 1 0.961 . . . . . . . 10 L QD1 . 16983 1 84 . 1 1 10 10 LEU HD13 H 1 0.961 . . . . . . . 10 L QD1 . 16983 1 85 . 1 1 10 10 LEU HD21 H 1 0.902 . . . . . . . 10 L QD2 . 16983 1 86 . 1 1 10 10 LEU HD22 H 1 0.902 . . . . . . . 10 L QD2 . 16983 1 87 . 1 1 10 10 LEU HD23 H 1 0.902 . . . . . . . 10 L QD2 . 16983 1 88 . 1 1 10 10 LEU HG H 1 1.700 . . 1 . . . . 10 L HG . 16983 1 89 . 1 1 10 10 LEU C C 13 177.645 . . 1 . . . . 10 L C . 16983 1 90 . 1 1 10 10 LEU CA C 13 56.697 . . 1 . . . . 10 L CA . 16983 1 91 . 1 1 10 10 LEU CB C 13 42.507 . . 1 . . . . 10 L CB . 16983 1 92 . 1 1 10 10 LEU CD1 C 13 26.025 . . 2 . . . . 10 L CD1 . 16983 1 93 . 1 1 10 10 LEU CD2 C 13 23.095 . . 2 . . . . 10 L CD2 . 16983 1 94 . 1 1 10 10 LEU CG C 13 28.022 . . 1 . . . . 10 L CG . 16983 1 95 . 1 1 10 10 LEU N N 15 121.754 . . 1 . . . . 10 L N . 16983 1 96 . 1 1 11 11 CYS H H 1 7.772 . . 1 . . . . 11 C H . 16983 1 97 . 1 1 11 11 CYS HA H 1 4.905 . . 1 . . . . 11 C HA . 16983 1 98 . 1 1 11 11 CYS HB2 H 1 3.161 . . 2 . . . . 11 C HB2 . 16983 1 99 . 1 1 11 11 CYS HB3 H 1 3.071 . . 2 . . . . 11 C HB3 . 16983 1 100 . 1 1 11 11 CYS C C 13 175.287 . . 1 . . . . 11 C C . 16983 1 101 . 1 1 11 11 CYS CA C 13 58.177 . . 1 . . . . 11 C CA . 16983 1 102 . 1 1 11 11 CYS CB C 13 32.075 . . 1 . . . . 11 C CB . 16983 1 103 . 1 1 11 11 CYS N N 15 116.637 . . 1 . . . . 11 C N . 16983 1 104 . 1 1 12 12 ASP H H 1 8.290 . . 1 . . . . 12 D H . 16983 1 105 . 1 1 12 12 ASP HA H 1 4.588 . . 1 . . . . 12 D HA . 16983 1 106 . 1 1 12 12 ASP HB2 H 1 2.939 . . 2 . . . . 12 D HB2 . 16983 1 107 . 1 1 12 12 ASP HB3 H 1 2.652 . . 2 . . . . 12 D HB3 . 16983 1 108 . 1 1 12 12 ASP C C 13 175.008 . . 1 . . . . 12 D C . 16983 1 109 . 1 1 12 12 ASP CA C 13 56.096 . . 1 . . . . 12 D CA . 16983 1 110 . 1 1 12 12 ASP CB C 13 40.512 . . 1 . . . . 12 D CB . 16983 1 111 . 1 1 12 12 ASP N N 15 120.443 . . 1 . . . . 12 D N . 16983 1 112 . 1 1 13 13 LYS H H 1 8.039 . . 1 . . . . 13 K H . 16983 1 113 . 1 1 13 13 LYS HA H 1 4.549 . . 1 . . . . 13 K HA . 16983 1 114 . 1 1 13 13 LYS HB2 H 1 1.976 . . 2 . . . . 13 K HB2 . 16983 1 115 . 1 1 13 13 LYS HB3 H 1 1.713 . . 2 . . . . 13 K HB3 . 16983 1 116 . 1 1 13 13 LYS HD2 H 1 1.613 . . 2 . . . . 13 K QD . 16983 1 117 . 1 1 13 13 LYS HD3 H 1 1.613 . . 2 . . . . 13 K QD . 16983 1 118 . 1 1 13 13 LYS HE2 H 1 2.931 . . 2 . . . . 13 K QE . 16983 1 119 . 1 1 13 13 LYS HE3 H 1 2.931 . . 2 . . . . 13 K QE . 16983 1 120 . 1 1 13 13 LYS HG2 H 1 1.426 . . 2 . . . . 13 K HG2 . 16983 1 121 . 1 1 13 13 LYS HG3 H 1 1.372 . . 2 . . . . 13 K HG3 . 16983 1 122 . 1 1 13 13 LYS C C 13 176.019 . . 1 . . . . 13 K C . 16983 1 123 . 1 1 13 13 LYS CA C 13 55.970 . . 1 . . . . 13 K CA . 16983 1 124 . 1 1 13 13 LYS CB C 13 34.916 . . 1 . . . . 13 K CB . 16983 1 125 . 1 1 13 13 LYS CD C 13 29.181 . . 1 . . . . 13 K CD . 16983 1 126 . 1 1 13 13 LYS CE C 13 42.367 . . 1 . . . . 13 K CE . 16983 1 127 . 1 1 13 13 LYS CG C 13 25.197 . . 1 . . . . 13 K CG . 16983 1 128 . 1 1 13 13 LYS N N 15 118.636 . . 1 . . . . 13 K N . 16983 1 129 . 1 1 14 14 CYS H H 1 8.458 . . 1 . . . . 14 C H . 16983 1 130 . 1 1 14 14 CYS HA H 1 4.370 . . 1 . . . . 14 C HA . 16983 1 131 . 1 1 14 14 CYS HB2 H 1 2.530 . . 2 . . . . 14 C QB . 16983 1 132 . 1 1 14 14 CYS HB3 H 1 2.530 . . 2 . . . . 14 C QB . 16983 1 133 . 1 1 14 14 CYS C C 13 175.116 . . 1 . . . . 14 C C . 16983 1 134 . 1 1 14 14 CYS CA C 13 57.907 . . 1 . . . . 14 C CA . 16983 1 135 . 1 1 14 14 CYS CB C 13 28.248 . . 1 . . . . 14 C CB . 16983 1 136 . 1 1 14 14 CYS N N 15 121.081 . . 1 . . . . 14 C N . 16983 1 137 . 1 1 15 15 TYR H H 1 8.088 . . 1 . . . . 15 Y H . 16983 1 138 . 1 1 15 15 TYR HA H 1 4.508 . . 1 . . . . 15 Y HA . 16983 1 139 . 1 1 15 15 TYR HB2 H 1 2.776 . . 2 . . . . 15 Y QB . 16983 1 140 . 1 1 15 15 TYR HB3 H 1 2.776 . . 2 . . . . 15 Y QB . 16983 1 141 . 1 1 15 15 TYR HD1 H 1 6.774 . . 3 . . . . 15 Y QD . 16983 1 142 . 1 1 15 15 TYR HD2 H 1 6.774 . . 3 . . . . 15 Y QD . 16983 1 143 . 1 1 15 15 TYR HE1 H 1 6.770 . . 3 . . . . 15 Y HE1 . 16983 1 144 . 1 1 15 15 TYR HE2 H 1 6.386 . . 3 . . . . 15 Y HE2 . 16983 1 145 . 1 1 15 15 TYR C C 13 175.457 . . 1 . . . . 15 Y C . 16983 1 146 . 1 1 15 15 TYR CA C 13 58.091 . . 1 . . . . 15 Y CA . 16983 1 147 . 1 1 15 15 TYR CB C 13 39.003 . . 1 . . . . 15 Y CB . 16983 1 148 . 1 1 15 15 TYR CD1 C 13 132.790 . . 3 . . . . 15 Y CD1 . 16983 1 149 . 1 1 15 15 TYR CD2 C 13 132.802 . . 3 . . . . 15 Y CD2 . 16983 1 150 . 1 1 15 15 TYR CE1 C 13 118.413 . . 3 . . . . 15 Y CE1 . 16983 1 151 . 1 1 15 15 TYR CE2 C 13 117.790 . . 3 . . . . 15 Y CE2 . 16983 1 152 . 1 1 15 15 TYR N N 15 124.545 . . 1 . . . . 15 Y N . 16983 1 153 . 1 1 16 16 ASP H H 1 8.304 . . 1 . . . . 16 D H . 16983 1 154 . 1 1 16 16 ASP HA H 1 4.538 . . 1 . . . . 16 D HA . 16983 1 155 . 1 1 16 16 ASP HB2 H 1 2.658 . . 2 . . . . 16 D HB2 . 16983 1 156 . 1 1 16 16 ASP HB3 H 1 2.568 . . 2 . . . . 16 D HB3 . 16983 1 157 . 1 1 16 16 ASP C C 13 176.209 . . 1 . . . . 16 D C . 16983 1 158 . 1 1 16 16 ASP CA C 13 54.331 . . 1 . . . . 16 D CA . 16983 1 159 . 1 1 16 16 ASP CB C 13 41.799 . . 1 . . . . 16 D CB . 16983 1 160 . 1 1 16 16 ASP N N 15 122.076 . . 1 . . . . 16 D N . 16983 1 161 . 1 1 17 17 ASP H H 1 8.035 . . 1 . . . . 17 D H . 16983 1 162 . 1 1 17 17 ASP HA H 1 4.412 . . 1 . . . . 17 D HA . 16983 1 163 . 1 1 17 17 ASP HB2 H 1 2.653 . . 2 . . . . 17 D HB2 . 16983 1 164 . 1 1 17 17 ASP HB3 H 1 2.586 . . 2 . . . . 17 D HB3 . 16983 1 165 . 1 1 17 17 ASP C C 13 176.480 . . 1 . . . . 17 D C . 16983 1 166 . 1 1 17 17 ASP CA C 13 55.338 . . 1 . . . . 17 D CA . 16983 1 167 . 1 1 17 17 ASP CB C 13 41.333 . . 1 . . . . 17 D CB . 16983 1 168 . 1 1 17 17 ASP N N 15 120.034 . . 1 . . . . 17 D N . 16983 1 169 . 1 1 18 18 ASP H H 1 8.177 . . 1 . . . . 18 D H . 16983 1 170 . 1 1 18 18 ASP HA H 1 4.502 . . 1 . . . . 18 D HA . 16983 1 171 . 1 1 18 18 ASP HB2 H 1 2.639 . . 2 . . . . 18 D QB . 16983 1 172 . 1 1 18 18 ASP HB3 H 1 2.639 . . 2 . . . . 18 D QB . 16983 1 173 . 1 1 18 18 ASP C C 13 176.182 . . 1 . . . . 18 D C . 16983 1 174 . 1 1 18 18 ASP CA C 13 54.951 . . 1 . . . . 18 D CA . 16983 1 175 . 1 1 18 18 ASP CB C 13 41.418 . . 1 . . . . 18 D CB . 16983 1 176 . 1 1 18 18 ASP N N 15 119.388 . . 1 . . . . 18 D N . 16983 1 177 . 1 1 19 19 ASP H H 1 8.002 . . 1 . . . . 19 D H . 16983 1 178 . 1 1 19 19 ASP HA H 1 4.522 . . 1 . . . . 19 D HA . 16983 1 179 . 1 1 19 19 ASP HB2 H 1 2.626 . . 2 . . . . 19 D QB . 16983 1 180 . 1 1 19 19 ASP HB3 H 1 2.626 . . 2 . . . . 19 D QB . 16983 1 181 . 1 1 19 19 ASP C C 13 176.687 . . 1 . . . . 19 D C . 16983 1 182 . 1 1 19 19 ASP CA C 13 54.392 . . 1 . . . . 19 D CA . 16983 1 183 . 1 1 19 19 ASP CB C 13 41.253 . . 1 . . . . 19 D CB . 16983 1 184 . 1 1 19 19 ASP N N 15 119.716 . . 1 . . . . 19 D N . 16983 1 185 . 1 1 20 20 TYR H H 1 7.960 . . 1 . . . . 20 Y H . 16983 1 186 . 1 1 20 20 TYR HA H 1 4.271 . . 1 . . . . 20 Y HA . 16983 1 187 . 1 1 20 20 TYR HB2 H 1 2.950 . . 2 . . . . 20 Y QB . 16983 1 188 . 1 1 20 20 TYR HB3 H 1 2.950 . . 2 . . . . 20 Y QB . 16983 1 189 . 1 1 20 20 TYR HD1 H 1 6.962 . . 3 . . . . 20 Y QD . 16983 1 190 . 1 1 20 20 TYR HD2 H 1 6.962 . . 3 . . . . 20 Y QD . 16983 1 191 . 1 1 20 20 TYR HE1 H 1 6.950 . . 3 . . . . 20 Y HE1 . 16983 1 192 . 1 1 20 20 TYR HE2 H 1 6.690 . . 3 . . . . 20 Y HE2 . 16983 1 193 . 1 1 20 20 TYR C C 13 176.480 . . 1 . . . . 20 Y C . 16983 1 194 . 1 1 20 20 TYR CA C 13 59.355 . . 1 . . . . 20 Y CA . 16983 1 195 . 1 1 20 20 TYR CB C 13 38.401 . . 1 . . . . 20 Y CB . 16983 1 196 . 1 1 20 20 TYR CD1 C 13 133.154 . . 3 . . . . 20 Y CD1 . 16983 1 197 . 1 1 20 20 TYR CD2 C 13 133.202 . . 3 . . . . 20 Y CD2 . 16983 1 198 . 1 1 20 20 TYR N N 15 121.100 . . 1 . . . . 20 Y N . 16983 1 199 . 1 1 21 21 GLU H H 1 8.175 . . 1 . . . . 21 E H . 16983 1 200 . 1 1 21 21 GLU HA H 1 4.122 . . 1 . . . . 21 E HA . 16983 1 201 . 1 1 21 21 GLU HB2 H 1 1.978 . . 2 . . . . 21 E HB2 . 16983 1 202 . 1 1 21 21 GLU HB3 H 1 1.907 . . 2 . . . . 21 E HB3 . 16983 1 203 . 1 1 21 21 GLU HG2 H 1 2.112 . . 2 . . . . 21 E QG . 16983 1 204 . 1 1 21 21 GLU HG3 H 1 2.112 . . 2 . . . . 21 E QG . 16983 1 205 . 1 1 21 21 GLU C C 13 176.754 . . 1 . . . . 21 E C . 16983 1 206 . 1 1 21 21 GLU CA C 13 57.316 . . 1 . . . . 21 E CA . 16983 1 207 . 1 1 21 21 GLU CB C 13 30.000 . . 1 . . . . 21 E CB . 16983 1 208 . 1 1 21 21 GLU CG C 13 36.637 . . 1 . . . . 21 E CG . 16983 1 209 . 1 1 21 21 GLU N N 15 119.507 . . 1 . . . . 21 E N . 16983 1 210 . 1 1 22 22 SER H H 1 7.768 . . 1 . . . . 22 S H . 16983 1 211 . 1 1 22 22 SER HA H 1 4.333 . . 1 . . . . 22 S HA . 16983 1 212 . 1 1 22 22 SER HB2 H 1 3.793 . . 2 . . . . 22 S QB . 16983 1 213 . 1 1 22 22 SER HB3 H 1 3.793 . . 2 . . . . 22 S QB . 16983 1 214 . 1 1 22 22 SER C C 13 174.232 . . 1 . . . . 22 S C . 16983 1 215 . 1 1 22 22 SER CA C 13 58.752 . . 1 . . . . 22 S CA . 16983 1 216 . 1 1 22 22 SER CB C 13 64.067 . . 1 . . . . 22 S CB . 16983 1 217 . 1 1 22 22 SER N N 15 115.023 . . 1 . . . . 22 S N . 16983 1 218 . 1 1 23 23 LYS H H 1 7.993 . . 1 . . . . 23 K H . 16983 1 219 . 1 1 23 23 LYS HA H 1 4.233 . . 1 . . . . 23 K HA . 16983 1 220 . 1 1 23 23 LYS HB2 H 1 1.607 . . 2 . . . . 23 K QB . 16983 1 221 . 1 1 23 23 LYS HB3 H 1 1.607 . . 2 . . . . 23 K QB . 16983 1 222 . 1 1 23 23 LYS HD2 H 1 1.367 . . 2 . . . . 23 K QD . 16983 1 223 . 1 1 23 23 LYS HD3 H 1 1.367 . . 2 . . . . 23 K QD . 16983 1 224 . 1 1 23 23 LYS HE2 H 1 2.804 . . 2 . . . . 23 K QE . 16983 1 225 . 1 1 23 23 LYS HE3 H 1 2.804 . . 2 . . . . 23 K QE . 16983 1 226 . 1 1 23 23 LYS HG2 H 1 1.122 . . 2 . . . . 23 K QG . 16983 1 227 . 1 1 23 23 LYS HG3 H 1 1.122 . . 2 . . . . 23 K QG . 16983 1 228 . 1 1 23 23 LYS C C 13 176.234 . . 1 . . . . 23 K C . 16983 1 229 . 1 1 23 23 LYS CA C 13 56.586 . . 1 . . . . 23 K CA . 16983 1 230 . 1 1 23 23 LYS CB C 13 32.545 . . 1 . . . . 23 K CB . 16983 1 231 . 1 1 23 23 LYS CD C 13 29.007 . . 1 . . . . 23 K CD . 16983 1 232 . 1 1 23 23 LYS CE C 13 42.409 . . 1 . . . . 23 K CE . 16983 1 233 . 1 1 23 23 LYS CG C 13 24.847 . . 1 . . . . 23 K CG . 16983 1 234 . 1 1 23 23 LYS N N 15 121.884 . . 1 . . . . 23 K N . 16983 1 235 . 1 1 24 24 MET H H 1 8.350 . . 1 . . . . 24 M H . 16983 1 236 . 1 1 24 24 MET HA H 1 5.263 . . 1 . . . . 24 M HA . 16983 1 237 . 1 1 24 24 MET HB2 H 1 2.070 . . 2 . . . . 24 M HB2 . 16983 1 238 . 1 1 24 24 MET HB3 H 1 1.923 . . 2 . . . . 24 M HB3 . 16983 1 239 . 1 1 24 24 MET HE1 H 1 1.326 . . . . . . . 24 M QE . 16983 1 240 . 1 1 24 24 MET HE2 H 1 1.326 . . . . . . . 24 M QE . 16983 1 241 . 1 1 24 24 MET HE3 H 1 1.326 . . . . . . . 24 M QE . 16983 1 242 . 1 1 24 24 MET HG2 H 1 2.430 . . 2 . . . . 24 M HG2 . 16983 1 243 . 1 1 24 24 MET HG3 H 1 2.154 . . 2 . . . . 24 M HG3 . 16983 1 244 . 1 1 24 24 MET C C 13 175.145 . . 1 . . . . 24 M C . 16983 1 245 . 1 1 24 24 MET CA C 13 55.010 . . 1 . . . . 24 M CA . 16983 1 246 . 1 1 24 24 MET CB C 13 36.926 . . 1 . . . . 24 M CB . 16983 1 247 . 1 1 24 24 MET CE C 13 17.016 . . 1 . . . . 24 M CE . 16983 1 248 . 1 1 24 24 MET CG C 13 32.608 . . 1 . . . . 24 M CG . 16983 1 249 . 1 1 24 24 MET N N 15 121.058 . . 1 . . . . 24 M N . 16983 1 250 . 1 1 25 25 MET H H 1 8.898 . . 1 . . . . 25 M H . 16983 1 251 . 1 1 25 25 MET HA H 1 4.728 . . 1 . . . . 25 M HA . 16983 1 252 . 1 1 25 25 MET HB2 H 1 1.421 . . 2 . . . . 25 M HB2 . 16983 1 253 . 1 1 25 25 MET HB3 H 1 1.381 . . 2 . . . . 25 M HB3 . 16983 1 254 . 1 1 25 25 MET HE1 H 1 1.447 . . . . . . . 25 M QE . 16983 1 255 . 1 1 25 25 MET HE2 H 1 1.447 . . . . . . . 25 M QE . 16983 1 256 . 1 1 25 25 MET HE3 H 1 1.447 . . . . . . . 25 M QE . 16983 1 257 . 1 1 25 25 MET HG2 H 1 2.066 . . 2 . . . . 25 M HG2 . 16983 1 258 . 1 1 25 25 MET HG3 H 1 1.933 . . 2 . . . . 25 M HG3 . 16983 1 259 . 1 1 25 25 MET C C 13 173.278 . . 1 . . . . 25 M C . 16983 1 260 . 1 1 25 25 MET CA C 13 54.041 . . 1 . . . . 25 M CA . 16983 1 261 . 1 1 25 25 MET CB C 13 35.433 . . 1 . . . . 25 M CB . 16983 1 262 . 1 1 25 25 MET CE C 13 16.883 . . 1 . . . . 25 M CE . 16983 1 263 . 1 1 25 25 MET CG C 13 31.577 . . 1 . . . . 25 M CG . 16983 1 264 . 1 1 25 25 MET N N 15 119.990 . . 1 . . . . 25 M N . 16983 1 265 . 1 1 26 26 GLN H H 1 8.223 . . 1 . . . . 26 Q H . 16983 1 266 . 1 1 26 26 GLN HA H 1 4.220 . . 1 . . . . 26 Q HA . 16983 1 267 . 1 1 26 26 GLN HB2 H 1 1.162 . . 2 . . . . 26 Q HB2 . 16983 1 268 . 1 1 26 26 GLN HB3 H 1 -0.560 . . 2 . . . . 26 Q HB3 . 16983 1 269 . 1 1 26 26 GLN HE21 H 1 6.940 . . 2 . . . . 26 Q HE21 . 16983 1 270 . 1 1 26 26 GLN HE22 H 1 6.460 . . 2 . . . . 26 Q HE22 . 16983 1 271 . 1 1 26 26 GLN HG2 H 1 1.377 . . 2 . . . . 26 Q HG2 . 16983 1 272 . 1 1 26 26 GLN HG3 H 1 0.617 . . 2 . . . . 26 Q HG3 . 16983 1 273 . 1 1 26 26 GLN C C 13 175.212 . . 1 . . . . 26 Q C . 16983 1 274 . 1 1 26 26 GLN CA C 13 53.792 . . 1 . . . . 26 Q CA . 16983 1 275 . 1 1 26 26 GLN CB C 13 28.786 . . 1 . . . . 26 Q CB . 16983 1 276 . 1 1 26 26 GLN CG C 13 32.880 . . 1 . . . . 26 Q CG . 16983 1 277 . 1 1 26 26 GLN N N 15 123.224 . . 1 . . . . 26 Q N . 16983 1 278 . 1 1 26 26 GLN NE2 N 15 110.026 . . 1 . . . . 26 Q NE2 . 16983 1 279 . 1 1 27 27 CYS H H 1 8.766 . . 1 . . . . 27 C H . 16983 1 280 . 1 1 27 27 CYS HA H 1 4.296 . . 1 . . . . 27 C HA . 16983 1 281 . 1 1 27 27 CYS HB2 H 1 3.392 . . 2 . . . . 27 C HB2 . 16983 1 282 . 1 1 27 27 CYS HB3 H 1 2.544 . . 2 . . . . 27 C HB3 . 16983 1 283 . 1 1 27 27 CYS C C 13 177.734 . . 1 . . . . 27 C C . 16983 1 284 . 1 1 27 27 CYS CA C 13 59.546 . . 1 . . . . 27 C CA . 16983 1 285 . 1 1 27 27 CYS CB C 13 31.411 . . 1 . . . . 27 C CB . 16983 1 286 . 1 1 27 27 CYS N N 15 128.888 . . 1 . . . . 27 C N . 16983 1 287 . 1 1 28 28 GLY H H 1 9.131 . . 1 . . . . 28 G H . 16983 1 288 . 1 1 28 28 GLY HA2 H 1 4.086 . . 2 . . . . 28 G HA2 . 16983 1 289 . 1 1 28 28 GLY HA3 H 1 3.760 . . 2 . . . . 28 G HA3 . 16983 1 290 . 1 1 28 28 GLY C C 13 173.944 . . 1 . . . . 28 G C . 16983 1 291 . 1 1 28 28 GLY CA C 13 46.660 . . 1 . . . . 28 G CA . 16983 1 292 . 1 1 28 28 GLY N N 15 117.191 . . 1 . . . . 28 G N . 16983 1 293 . 1 1 29 29 LYS H H 1 9.361 . . 1 . . . . 29 K H . 16983 1 294 . 1 1 29 29 LYS HA H 1 4.518 . . 1 . . . . 29 K HA . 16983 1 295 . 1 1 29 29 LYS HB2 H 1 2.035 . . 2 . . . . 29 K HB2 . 16983 1 296 . 1 1 29 29 LYS HB3 H 1 1.990 . . 2 . . . . 29 K HB3 . 16983 1 297 . 1 1 29 29 LYS HD2 H 1 1.603 . . 2 . . . . 29 K QD . 16983 1 298 . 1 1 29 29 LYS HD3 H 1 1.603 . . 2 . . . . 29 K QD . 16983 1 299 . 1 1 29 29 LYS HE2 H 1 2.923 . . 2 . . . . 29 K QE . 16983 1 300 . 1 1 29 29 LYS HE3 H 1 2.923 . . 2 . . . . 29 K QE . 16983 1 301 . 1 1 29 29 LYS HG2 H 1 1.399 . . 2 . . . . 29 K QG . 16983 1 302 . 1 1 29 29 LYS HG3 H 1 1.399 . . 2 . . . . 29 K QG . 16983 1 303 . 1 1 29 29 LYS C C 13 177.178 . . 1 . . . . 29 K C . 16983 1 304 . 1 1 29 29 LYS CA C 13 57.755 . . 1 . . . . 29 K CA . 16983 1 305 . 1 1 29 29 LYS CB C 13 33.972 . . 1 . . . . 29 K CB . 16983 1 306 . 1 1 29 29 LYS CD C 13 28.939 . . 1 . . . . 29 K CD . 16983 1 307 . 1 1 29 29 LYS CE C 13 42.279 . . 1 . . . . 29 K CE . 16983 1 308 . 1 1 29 29 LYS CG C 13 25.474 . . 1 . . . . 29 K CG . 16983 1 309 . 1 1 29 29 LYS N N 15 123.620 . . 1 . . . . 29 K N . 16983 1 310 . 1 1 30 30 CYS H H 1 8.285 . . 1 . . . . 30 C H . 16983 1 311 . 1 1 30 30 CYS HA H 1 4.814 . . 1 . . . . 30 C HA . 16983 1 312 . 1 1 30 30 CYS HB2 H 1 3.147 . . 2 . . . . 30 C HB2 . 16983 1 313 . 1 1 30 30 CYS HB3 H 1 2.580 . . 2 . . . . 30 C HB3 . 16983 1 314 . 1 1 30 30 CYS C C 13 175.853 . . 1 . . . . 30 C C . 16983 1 315 . 1 1 30 30 CYS CA C 13 58.918 . . 1 . . . . 30 C CA . 16983 1 316 . 1 1 30 30 CYS CB C 13 32.080 . . 1 . . . . 30 C CB . 16983 1 317 . 1 1 30 30 CYS N N 15 118.369 . . 1 . . . . 30 C N . 16983 1 318 . 1 1 31 31 ASP H H 1 7.516 . . 1 . . . . 31 D H . 16983 1 319 . 1 1 31 31 ASP HA H 1 4.426 . . 1 . . . . 31 D HA . 16983 1 320 . 1 1 31 31 ASP HB2 H 1 2.907 . . 2 . . . . 31 D HB2 . 16983 1 321 . 1 1 31 31 ASP HB3 H 1 2.810 . . 2 . . . . 31 D HB3 . 16983 1 322 . 1 1 31 31 ASP C C 13 175.523 . . 1 . . . . 31 D C . 16983 1 323 . 1 1 31 31 ASP CA C 13 56.699 . . 1 . . . . 31 D CA . 16983 1 324 . 1 1 31 31 ASP CB C 13 40.366 . . 1 . . . . 31 D CB . 16983 1 325 . 1 1 31 31 ASP N N 15 117.925 . . 1 . . . . 31 D N . 16983 1 326 . 1 1 32 32 ARG H H 1 8.205 . . 1 . . . . 32 R H . 16983 1 327 . 1 1 32 32 ARG HA H 1 4.420 . . 1 . . . . 32 R HA . 16983 1 328 . 1 1 32 32 ARG HB2 H 1 2.056 . . 2 . . . . 32 R HB2 . 16983 1 329 . 1 1 32 32 ARG HB3 H 1 1.760 . . 2 . . . . 32 R HB3 . 16983 1 330 . 1 1 32 32 ARG HD2 H 1 3.277 . . 2 . . . . 32 R QD . 16983 1 331 . 1 1 32 32 ARG HD3 H 1 3.277 . . 2 . . . . 32 R QD . 16983 1 332 . 1 1 32 32 ARG HG2 H 1 1.777 . . 2 . . . . 32 R HG2 . 16983 1 333 . 1 1 32 32 ARG HG3 H 1 1.704 . . 2 . . . . 32 R HG3 . 16983 1 334 . 1 1 32 32 ARG C C 13 175.275 . . 1 . . . . 32 R C . 16983 1 335 . 1 1 32 32 ARG CA C 13 56.708 . . 1 . . . . 32 R CA . 16983 1 336 . 1 1 32 32 ARG CB C 13 31.131 . . 1 . . . . 32 R CB . 16983 1 337 . 1 1 32 32 ARG CD C 13 43.509 . . 1 . . . . 32 R CD . 16983 1 338 . 1 1 32 32 ARG CG C 13 27.844 . . 1 . . . . 32 R CG . 16983 1 339 . 1 1 32 32 ARG N N 15 121.627 . . 1 . . . . 32 R N . 16983 1 340 . 1 1 33 33 TRP H H 1 8.450 . . 1 . . . . 33 W H . 16983 1 341 . 1 1 33 33 TRP HA H 1 4.928 . . 1 . . . . 33 W HA . 16983 1 342 . 1 1 33 33 TRP HB2 H 1 2.823 . . 2 . . . . 33 W HB2 . 16983 1 343 . 1 1 33 33 TRP HB3 H 1 2.741 . . 2 . . . . 33 W HB3 . 16983 1 344 . 1 1 33 33 TRP HD1 H 1 7.208 . . 1 . . . . 33 W HD1 . 16983 1 345 . 1 1 33 33 TRP HE1 H 1 9.937 . . 1 . . . . 33 W HE1 . 16983 1 346 . 1 1 33 33 TRP HE3 H 1 7.079 . . 1 . . . . 33 W HE3 . 16983 1 347 . 1 1 33 33 TRP HH2 H 1 7.357 . . 1 . . . . 33 W HH2 . 16983 1 348 . 1 1 33 33 TRP HZ2 H 1 7.274 . . 1 . . . . 33 W HZ2 . 16983 1 349 . 1 1 33 33 TRP HZ3 H 1 6.883 . . 1 . . . . 33 W HZ3 . 16983 1 350 . 1 1 33 33 TRP C C 13 175.949 . . 1 . . . . 33 W C . 16983 1 351 . 1 1 33 33 TRP CA C 13 56.871 . . 1 . . . . 33 W CA . 16983 1 352 . 1 1 33 33 TRP CB C 13 30.189 . . 1 . . . . 33 W CB . 16983 1 353 . 1 1 33 33 TRP CD1 C 13 127.177 . . 1 . . . . 33 W CD1 . 16983 1 354 . 1 1 33 33 TRP CE3 C 13 124.485 . . 1 . . . . 33 W CE3 . 16983 1 355 . 1 1 33 33 TRP CH2 C 13 127.388 . . 1 . . . . 33 W CH2 . 16983 1 356 . 1 1 33 33 TRP CZ2 C 13 115.061 . . 1 . . . . 33 W CZ2 . 16983 1 357 . 1 1 33 33 TRP CZ3 C 13 121.680 . . 1 . . . . 33 W CZ3 . 16983 1 358 . 1 1 33 33 TRP N N 15 122.116 . . 1 . . . . 33 W N . 16983 1 359 . 1 1 33 33 TRP NE1 N 15 129.607 . . 1 . . . . 33 W NE1 . 16983 1 360 . 1 1 34 34 VAL H H 1 9.087 . . 1 . . . . 34 V H . 16983 1 361 . 1 1 34 34 VAL HA H 1 4.835 . . 1 . . . . 34 V HA . 16983 1 362 . 1 1 34 34 VAL HB H 1 2.079 . . 1 . . . . 34 V HB . 16983 1 363 . 1 1 34 34 VAL HG11 H 1 0.979 . . . . . . . 34 V QG1 . 16983 1 364 . 1 1 34 34 VAL HG12 H 1 0.979 . . . . . . . 34 V QG1 . 16983 1 365 . 1 1 34 34 VAL HG13 H 1 0.979 . . . . . . . 34 V QG1 . 16983 1 366 . 1 1 34 34 VAL HG21 H 1 0.905 . . . . . . . 34 V QG2 . 16983 1 367 . 1 1 34 34 VAL HG22 H 1 0.905 . . . . . . . 34 V QG2 . 16983 1 368 . 1 1 34 34 VAL HG23 H 1 0.905 . . . . . . . 34 V QG2 . 16983 1 369 . 1 1 34 34 VAL C C 13 176.427 . . 1 . . . . 34 V C . 16983 1 370 . 1 1 34 34 VAL CA C 13 59.394 . . 1 . . . . 34 V CA . 16983 1 371 . 1 1 34 34 VAL CB C 13 35.735 . . 1 . . . . 34 V CB . 16983 1 372 . 1 1 34 34 VAL CG1 C 13 21.822 . . 2 . . . . 34 V CG1 . 16983 1 373 . 1 1 34 34 VAL CG2 C 13 20.166 . . 2 . . . . 34 V CG2 . 16983 1 374 . 1 1 34 34 VAL N N 15 117.740 . . 1 . . . . 34 V N . 16983 1 375 . 1 1 35 35 HIS H H 1 8.607 . . 1 . . . . 35 H H . 16983 1 376 . 1 1 35 35 HIS HA H 1 4.919 . . 1 . . . . 35 H HA . 16983 1 377 . 1 1 35 35 HIS HB2 H 1 3.777 . . 2 . . . . 35 H HB2 . 16983 1 378 . 1 1 35 35 HIS HB3 H 1 3.610 . . 2 . . . . 35 H HB3 . 16983 1 379 . 1 1 35 35 HIS HD2 H 1 7.181 . . 1 . . . . 35 H HD2 . 16983 1 380 . 1 1 35 35 HIS HE1 H 1 7.554 . . 1 . . . . 35 H HE1 . 16983 1 381 . 1 1 35 35 HIS C C 13 177.024 . . 1 . . . . 35 H C . 16983 1 382 . 1 1 35 35 HIS CA C 13 57.120 . . 1 . . . . 35 H CA . 16983 1 383 . 1 1 35 35 HIS CB C 13 32.026 . . 1 . . . . 35 H CB . 16983 1 384 . 1 1 35 35 HIS CD2 C 13 118.186 . . 1 . . . . 35 H CD2 . 16983 1 385 . 1 1 35 35 HIS CE1 C 13 138.715 . . 1 . . . . 35 H CE1 . 16983 1 386 . 1 1 35 35 HIS N N 15 123.556 . . 1 . . . . 35 H N . 16983 1 387 . 1 1 36 36 SER H H 1 8.793 . . 1 . . . . 36 S H . 16983 1 388 . 1 1 36 36 SER HA H 1 3.928 . . 1 . . . . 36 S HA . 16983 1 389 . 1 1 36 36 SER HB2 H 1 3.786 . . 2 . . . . 36 S HB2 . 16983 1 390 . 1 1 36 36 SER HB3 H 1 3.674 . . 2 . . . . 36 S HB3 . 16983 1 391 . 1 1 36 36 SER CA C 13 62.241 . . 1 . . . . 36 S CA . 16983 1 392 . 1 1 36 36 SER CB C 13 62.503 . . 1 . . . . 36 S CB . 16983 1 393 . 1 1 36 36 SER N N 15 121.905 . . 1 . . . . 36 S N . 16983 1 394 . 1 1 37 37 LYS HA H 1 4.197 . . 1 . . . . 37 K HA . 16983 1 395 . 1 1 37 37 LYS HB2 H 1 1.714 . . 2 . . . . 37 K QB . 16983 1 396 . 1 1 37 37 LYS HB3 H 1 1.714 . . 2 . . . . 37 K QB . 16983 1 397 . 1 1 37 37 LYS HD2 H 1 1.575 . . 2 . . . . 37 K QD . 16983 1 398 . 1 1 37 37 LYS HD3 H 1 1.575 . . 2 . . . . 37 K QD . 16983 1 399 . 1 1 37 37 LYS HE2 H 1 2.849 . . 2 . . . . 37 K QE . 16983 1 400 . 1 1 37 37 LYS HE3 H 1 2.849 . . 2 . . . . 37 K QE . 16983 1 401 . 1 1 37 37 LYS HG2 H 1 1.429 . . 2 . . . . 37 K HG2 . 16983 1 402 . 1 1 37 37 LYS HG3 H 1 1.341 . . 2 . . . . 37 K HG3 . 16983 1 403 . 1 1 37 37 LYS CA C 13 58.427 . . 1 . . . . 37 K CA . 16983 1 404 . 1 1 37 37 LYS CB C 13 32.428 . . 1 . . . . 37 K CB . 16983 1 405 . 1 1 38 38 CYS H H 1 7.003 . . 1 . . . . 38 C H . 16983 1 406 . 1 1 38 38 CYS HA H 1 4.063 . . 1 . . . . 38 C HA . 16983 1 407 . 1 1 38 38 CYS HB2 H 1 3.092 . . 2 . . . . 38 C HB2 . 16983 1 408 . 1 1 38 38 CYS HB3 H 1 3.022 . . 2 . . . . 38 C HB3 . 16983 1 409 . 1 1 38 38 CYS CA C 13 62.549 . . 1 . . . . 38 C CA . 16983 1 410 . 1 1 38 38 CYS CB C 13 30.012 . . 1 . . . . 38 C CB . 16983 1 411 . 1 1 38 38 CYS N N 15 119.750 . . 1 . . . . 38 C N . 16983 1 412 . 1 1 39 39 GLU H H 1 7.479 . . 1 . . . . 39 E H . 16983 1 413 . 1 1 39 39 GLU HA H 1 4.358 . . 1 . . . . 39 E HA . 16983 1 414 . 1 1 39 39 GLU HB2 H 1 2.226 . . 2 . . . . 39 E HB2 . 16983 1 415 . 1 1 39 39 GLU HB3 H 1 1.852 . . 2 . . . . 39 E HB3 . 16983 1 416 . 1 1 39 39 GLU HG2 H 1 2.241 . . 2 . . . . 39 E HG2 . 16983 1 417 . 1 1 39 39 GLU HG3 H 1 2.158 . . 2 . . . . 39 E HG3 . 16983 1 418 . 1 1 39 39 GLU C C 13 175.319 . . 1 . . . . 39 E C . 16983 1 419 . 1 1 39 39 GLU CA C 13 56.680 . . 1 . . . . 39 E CA . 16983 1 420 . 1 1 39 39 GLU CB C 13 30.611 . . 1 . . . . 39 E CB . 16983 1 421 . 1 1 39 39 GLU CG C 13 36.616 . . 1 . . . . 39 E CG . 16983 1 422 . 1 1 39 39 GLU N N 15 118.959 . . 1 . . . . 39 E N . 16983 1 423 . 1 1 40 40 ASN H H 1 7.957 . . 1 . . . . 40 N H . 16983 1 424 . 1 1 40 40 ASN HA H 1 4.431 . . 1 . . . . 40 N HA . 16983 1 425 . 1 1 40 40 ASN HB2 H 1 3.006 . . 2 . . . . 40 N HB2 . 16983 1 426 . 1 1 40 40 ASN HB3 H 1 2.738 . . 2 . . . . 40 N HB3 . 16983 1 427 . 1 1 40 40 ASN HD21 H 1 7.508 . . 2 . . . . 40 N HD21 . 16983 1 428 . 1 1 40 40 ASN HD22 H 1 6.783 . . 2 . . . . 40 N HD22 . 16983 1 429 . 1 1 40 40 ASN C C 13 174.573 . . 1 . . . . 40 N C . 16983 1 430 . 1 1 40 40 ASN CA C 13 53.991 . . 1 . . . . 40 N CA . 16983 1 431 . 1 1 40 40 ASN CB C 13 37.720 . . 1 . . . . 40 N CB . 16983 1 432 . 1 1 40 40 ASN N N 15 115.330 . . 1 . . . . 40 N N . 16983 1 433 . 1 1 40 40 ASN ND2 N 15 112.619 . . 1 . . . . 40 N ND2 . 16983 1 434 . 1 1 41 41 LEU H H 1 7.746 . . 1 . . . . 41 L H . 16983 1 435 . 1 1 41 41 LEU HA H 1 4.468 . . 1 . . . . 41 L HA . 16983 1 436 . 1 1 41 41 LEU HB2 H 1 1.535 . . 2 . . . . 41 L HB2 . 16983 1 437 . 1 1 41 41 LEU HB3 H 1 1.392 . . 2 . . . . 41 L HB3 . 16983 1 438 . 1 1 41 41 LEU HD11 H 1 0.808 . . . . . . . 41 L QD1 . 16983 1 439 . 1 1 41 41 LEU HD12 H 1 0.808 . . . . . . . 41 L QD1 . 16983 1 440 . 1 1 41 41 LEU HD13 H 1 0.808 . . . . . . . 41 L QD1 . 16983 1 441 . 1 1 41 41 LEU HD21 H 1 0.825 . . . . . . . 41 L QD2 . 16983 1 442 . 1 1 41 41 LEU HD22 H 1 0.825 . . . . . . . 41 L QD2 . 16983 1 443 . 1 1 41 41 LEU HD23 H 1 0.825 . . . . . . . 41 L QD2 . 16983 1 444 . 1 1 41 41 LEU HG H 1 1.616 . . 1 . . . . 41 L HG . 16983 1 445 . 1 1 41 41 LEU C C 13 177.344 . . 1 . . . . 41 L C . 16983 1 446 . 1 1 41 41 LEU CA C 13 54.549 . . 1 . . . . 41 L CA . 16983 1 447 . 1 1 41 41 LEU CB C 13 43.157 . . 1 . . . . 41 L CB . 16983 1 448 . 1 1 41 41 LEU CD1 C 13 25.780 . . 2 . . . . 41 L CD1 . 16983 1 449 . 1 1 41 41 LEU CD2 C 13 23.941 . . 2 . . . . 41 L CD2 . 16983 1 450 . 1 1 41 41 LEU N N 15 119.266 . . 1 . . . . 41 L N . 16983 1 451 . 1 1 42 42 SER H H 1 8.411 . . 1 . . . . 42 S H . 16983 1 452 . 1 1 42 42 SER HA H 1 4.412 . . 1 . . . . 42 S HA . 16983 1 453 . 1 1 42 42 SER HB2 H 1 4.306 . . 2 . . . . 42 S HB2 . 16983 1 454 . 1 1 42 42 SER HB3 H 1 4.023 . . 2 . . . . 42 S HB3 . 16983 1 455 . 1 1 42 42 SER C C 13 174.685 . . 1 . . . . 42 S C . 16983 1 456 . 1 1 42 42 SER CA C 13 57.494 . . 1 . . . . 42 S CA . 16983 1 457 . 1 1 42 42 SER CB C 13 64.787 . . 1 . . . . 42 S CB . 16983 1 458 . 1 1 42 42 SER N N 15 119.613 . . 1 . . . . 42 S N . 16983 1 459 . 1 1 43 43 ASP H H 1 8.830 . . 1 . . . . 43 D H . 16983 1 460 . 1 1 43 43 ASP HA H 1 4.416 . . 1 . . . . 43 D HA . 16983 1 461 . 1 1 43 43 ASP HB2 H 1 2.717 . . 2 . . . . 43 D HB2 . 16983 1 462 . 1 1 43 43 ASP HB3 H 1 2.602 . . 2 . . . . 43 D HB3 . 16983 1 463 . 1 1 43 43 ASP C C 13 178.563 . . 1 . . . . 43 D C . 16983 1 464 . 1 1 43 43 ASP CA C 13 57.507 . . 1 . . . . 43 D CA . 16983 1 465 . 1 1 43 43 ASP CB C 13 40.292 . . 1 . . . . 43 D CB . 16983 1 466 . 1 1 43 43 ASP N N 15 122.384 . . 1 . . . . 43 D N . 16983 1 467 . 1 1 44 44 GLU H H 1 8.709 . . 1 . . . . 44 E H . 16983 1 468 . 1 1 44 44 GLU HA H 1 4.091 . . 1 . . . . 44 E HA . 16983 1 469 . 1 1 44 44 GLU HB2 H 1 2.033 . . 2 . . . . 44 E HB2 . 16983 1 470 . 1 1 44 44 GLU HB3 H 1 1.944 . . 2 . . . . 44 E HB3 . 16983 1 471 . 1 1 44 44 GLU HG2 H 1 2.282 . . 2 . . . . 44 E QG . 16983 1 472 . 1 1 44 44 GLU HG3 H 1 2.282 . . 2 . . . . 44 E QG . 16983 1 473 . 1 1 44 44 GLU C C 13 178.644 . . 1 . . . . 44 E C . 16983 1 474 . 1 1 44 44 GLU CA C 13 59.623 . . 1 . . . . 44 E CA . 16983 1 475 . 1 1 44 44 GLU CB C 13 29.533 . . 1 . . . . 44 E CB . 16983 1 476 . 1 1 44 44 GLU CG C 13 36.689 . . 1 . . . . 44 E CG . 16983 1 477 . 1 1 44 44 GLU N N 15 119.644 . . 1 . . . . 44 E N . 16983 1 478 . 1 1 45 45 MET H H 1 7.888 . . 1 . . . . 45 M H . 16983 1 479 . 1 1 45 45 MET HA H 1 4.374 . . 1 . . . . 45 M HA . 16983 1 480 . 1 1 45 45 MET HB2 H 1 2.138 . . 2 . . . . 45 M HB2 . 16983 1 481 . 1 1 45 45 MET HB3 H 1 2.013 . . 2 . . . . 45 M HB3 . 16983 1 482 . 1 1 45 45 MET HE1 H 1 2.078 . . . . . . . 45 M QE . 16983 1 483 . 1 1 45 45 MET HE2 H 1 2.078 . . . . . . . 45 M QE . 16983 1 484 . 1 1 45 45 MET HE3 H 1 2.078 . . . . . . . 45 M QE . 16983 1 485 . 1 1 45 45 MET HG2 H 1 2.593 . . 2 . . . . 45 M QG . 16983 1 486 . 1 1 45 45 MET HG3 H 1 2.593 . . 2 . . . . 45 M QG . 16983 1 487 . 1 1 45 45 MET C C 13 177.959 . . 1 . . . . 45 M C . 16983 1 488 . 1 1 45 45 MET CA C 13 57.012 . . 1 . . . . 45 M CA . 16983 1 489 . 1 1 45 45 MET CB C 13 32.014 . . 1 . . . . 45 M CB . 16983 1 490 . 1 1 45 45 MET CE C 13 17.018 . . 1 . . . . 45 M CE . 16983 1 491 . 1 1 45 45 MET CG C 13 32.686 . . 1 . . . . 45 M CG . 16983 1 492 . 1 1 45 45 MET N N 15 119.179 . . 1 . . . . 45 M N . 16983 1 493 . 1 1 46 46 TYR H H 1 8.488 . . 1 . . . . 46 Y H . 16983 1 494 . 1 1 46 46 TYR HA H 1 3.989 . . 1 . . . . 46 Y HA . 16983 1 495 . 1 1 46 46 TYR HB2 H 1 3.128 . . 2 . . . . 46 Y HB2 . 16983 1 496 . 1 1 46 46 TYR HB3 H 1 2.977 . . 2 . . . . 46 Y HB3 . 16983 1 497 . 1 1 46 46 TYR HD1 H 1 6.996 . . 3 . . . . 46 Y QD . 16983 1 498 . 1 1 46 46 TYR HD2 H 1 6.996 . . 3 . . . . 46 Y QD . 16983 1 499 . 1 1 46 46 TYR HE1 H 1 6.982 . . 3 . . . . 46 Y HE1 . 16983 1 500 . 1 1 46 46 TYR HE2 H 1 6.706 . . 3 . . . . 46 Y HE2 . 16983 1 501 . 1 1 46 46 TYR C C 13 177.817 . . 1 . . . . 46 Y C . 16983 1 502 . 1 1 46 46 TYR CA C 13 61.941 . . 1 . . . . 46 Y CA . 16983 1 503 . 1 1 46 46 TYR CB C 13 38.192 . . 1 . . . . 46 Y CB . 16983 1 504 . 1 1 46 46 TYR CD1 C 13 132.989 . . 3 . . . . 46 Y CD1 . 16983 1 505 . 1 1 46 46 TYR CD2 C 13 133.051 . . 3 . . . . 46 Y CD2 . 16983 1 506 . 1 1 46 46 TYR N N 15 120.172 . . 1 . . . . 46 Y N . 16983 1 507 . 1 1 47 47 GLU H H 1 8.057 . . 1 . . . . 47 E H . 16983 1 508 . 1 1 47 47 GLU HA H 1 3.857 . . 1 . . . . 47 E HA . 16983 1 509 . 1 1 47 47 GLU HB2 H 1 2.089 . . 2 . . . . 47 E QB . 16983 1 510 . 1 1 47 47 GLU HB3 H 1 2.089 . . 2 . . . . 47 E QB . 16983 1 511 . 1 1 47 47 GLU HG2 H 1 2.299 . . 2 . . . . 47 E QG . 16983 1 512 . 1 1 47 47 GLU HG3 H 1 2.299 . . 2 . . . . 47 E QG . 16983 1 513 . 1 1 47 47 GLU C C 13 178.423 . . 1 . . . . 47 E C . 16983 1 514 . 1 1 47 47 GLU CA C 13 59.230 . . 1 . . . . 47 E CA . 16983 1 515 . 1 1 47 47 GLU CB C 13 29.661 . . 1 . . . . 47 E CB . 16983 1 516 . 1 1 47 47 GLU CG C 13 36.187 . . 1 . . . . 47 E CG . 16983 1 517 . 1 1 47 47 GLU N N 15 120.225 . . 1 . . . . 47 E N . 16983 1 518 . 1 1 48 48 ILE H H 1 7.559 . . 1 . . . . 48 I H . 16983 1 519 . 1 1 48 48 ILE HA H 1 3.800 . . 1 . . . . 48 I HA . 16983 1 520 . 1 1 48 48 ILE HB H 1 1.969 . . 1 . . . . 48 I HB . 16983 1 521 . 1 1 48 48 ILE HD11 H 1 0.851 . . . . . . . 48 I QD1 . 16983 1 522 . 1 1 48 48 ILE HD12 H 1 0.851 . . . . . . . 48 I QD1 . 16983 1 523 . 1 1 48 48 ILE HD13 H 1 0.851 . . . . . . . 48 I QD1 . 16983 1 524 . 1 1 48 48 ILE HG12 H 1 1.696 . . 2 . . . . 48 I HG12 . 16983 1 525 . 1 1 48 48 ILE HG13 H 1 1.155 . . 2 . . . . 48 I HG13 . 16983 1 526 . 1 1 48 48 ILE HG21 H 1 0.871 . . . . . . . 48 I QG2 . 16983 1 527 . 1 1 48 48 ILE HG22 H 1 0.871 . . . . . . . 48 I QG2 . 16983 1 528 . 1 1 48 48 ILE HG23 H 1 0.871 . . . . . . . 48 I QG2 . 16983 1 529 . 1 1 48 48 ILE C C 13 178.561 . . 1 . . . . 48 I C . 16983 1 530 . 1 1 48 48 ILE CA C 13 64.267 . . 1 . . . . 48 I CA . 16983 1 531 . 1 1 48 48 ILE CB C 13 38.393 . . 1 . . . . 48 I CB . 16983 1 532 . 1 1 48 48 ILE CD1 C 13 13.202 . . 1 . . . . 48 I CD1 . 16983 1 533 . 1 1 48 48 ILE CG1 C 13 28.880 . . 1 . . . . 48 I CG1 . 16983 1 534 . 1 1 48 48 ILE CG2 C 13 17.286 . . 1 . . . . 48 I CG2 . 16983 1 535 . 1 1 48 48 ILE N N 15 119.580 . . 1 . . . . 48 I N . 16983 1 536 . 1 1 49 49 LEU H H 1 8.205 . . 1 . . . . 49 L H . 16983 1 537 . 1 1 49 49 LEU HA H 1 3.995 . . 1 . . . . 49 L HA . 16983 1 538 . 1 1 49 49 LEU HB2 H 1 1.662 . . 2 . . . . 49 L HB2 . 16983 1 539 . 1 1 49 49 LEU HB3 H 1 1.409 . . 2 . . . . 49 L HB3 . 16983 1 540 . 1 1 49 49 LEU HD11 H 1 0.817 . . . . . . . 49 L QD1 . 16983 1 541 . 1 1 49 49 LEU HD12 H 1 0.817 . . . . . . . 49 L QD1 . 16983 1 542 . 1 1 49 49 LEU HD13 H 1 0.817 . . . . . . . 49 L QD1 . 16983 1 543 . 1 1 49 49 LEU HD21 H 1 0.831 . . . . . . . 49 L QD2 . 16983 1 544 . 1 1 49 49 LEU HD22 H 1 0.831 . . . . . . . 49 L QD2 . 16983 1 545 . 1 1 49 49 LEU HD23 H 1 0.831 . . . . . . . 49 L QD2 . 16983 1 546 . 1 1 49 49 LEU HG H 1 1.754 . . 1 . . . . 49 L HG . 16983 1 547 . 1 1 49 49 LEU C C 13 178.890 . . 1 . . . . 49 L C . 16983 1 548 . 1 1 49 49 LEU CA C 13 57.228 . . 1 . . . . 49 L CA . 16983 1 549 . 1 1 49 49 LEU CB C 13 41.918 . . 1 . . . . 49 L CB . 16983 1 550 . 1 1 49 49 LEU CD1 C 13 26.065 . . 2 . . . . 49 L CD1 . 16983 1 551 . 1 1 49 49 LEU CD2 C 13 23.378 . . 2 . . . . 49 L CD2 . 16983 1 552 . 1 1 49 49 LEU CG C 13 27.101 . . 1 . . . . 49 L CG . 16983 1 553 . 1 1 49 49 LEU N N 15 119.540 . . 1 . . . . 49 L N . 16983 1 554 . 1 1 50 50 SER H H 1 7.931 . . 1 . . . . 50 S H . 16983 1 555 . 1 1 50 50 SER HA H 1 4.134 . . 1 . . . . 50 S HA . 16983 1 556 . 1 1 50 50 SER HB2 H 1 3.770 . . 2 . . . . 50 S HB2 . 16983 1 557 . 1 1 50 50 SER HB3 H 1 3.530 . . 2 . . . . 50 S HB3 . 16983 1 558 . 1 1 50 50 SER C C 13 174.461 . . 1 . . . . 50 S C . 16983 1 559 . 1 1 50 50 SER CA C 13 60.188 . . 1 . . . . 50 S CA . 16983 1 560 . 1 1 50 50 SER CB C 13 63.386 . . 1 . . . . 50 S CB . 16983 1 561 . 1 1 50 50 SER N N 15 112.904 . . 1 . . . . 50 S N . 16983 1 562 . 1 1 51 51 ASN H H 1 7.496 . . 1 . . . . 51 N H . 16983 1 563 . 1 1 51 51 ASN HA H 1 4.836 . . 1 . . . . 51 N HA . 16983 1 564 . 1 1 51 51 ASN HB2 H 1 2.859 . . 2 . . . . 51 N HB2 . 16983 1 565 . 1 1 51 51 ASN HB3 H 1 2.635 . . 2 . . . . 51 N HB3 . 16983 1 566 . 1 1 51 51 ASN HD21 H 1 7.660 . . 2 . . . . 51 N HD21 . 16983 1 567 . 1 1 51 51 ASN HD22 H 1 6.876 . . 2 . . . . 51 N HD22 . 16983 1 568 . 1 1 51 51 ASN C C 13 174.749 . . 1 . . . . 51 N C . 16983 1 569 . 1 1 51 51 ASN CA C 13 53.383 . . 1 . . . . 51 N CA . 16983 1 570 . 1 1 51 51 ASN CB C 13 40.031 . . 1 . . . . 51 N CB . 16983 1 571 . 1 1 51 51 ASN N N 15 118.795 . . 1 . . . . 51 N N . 16983 1 572 . 1 1 51 51 ASN ND2 N 15 114.478 . . 1 . . . . 51 N ND2 . 16983 1 573 . 1 1 52 52 LEU H H 1 7.586 . . 1 . . . . 52 L H . 16983 1 574 . 1 1 52 52 LEU HA H 1 4.588 . . 1 . . . . 52 L HA . 16983 1 575 . 1 1 52 52 LEU HB2 H 1 1.707 . . 2 . . . . 52 L HB2 . 16983 1 576 . 1 1 52 52 LEU HB3 H 1 1.542 . . 2 . . . . 52 L HB3 . 16983 1 577 . 1 1 52 52 LEU HD11 H 1 0.929 . . . . . . . 52 L QD1 . 16983 1 578 . 1 1 52 52 LEU HD12 H 1 0.929 . . . . . . . 52 L QD1 . 16983 1 579 . 1 1 52 52 LEU HD13 H 1 0.929 . . . . . . . 52 L QD1 . 16983 1 580 . 1 1 52 52 LEU HD21 H 1 0.883 . . . . . . . 52 L QD2 . 16983 1 581 . 1 1 52 52 LEU HD22 H 1 0.883 . . . . . . . 52 L QD2 . 16983 1 582 . 1 1 52 52 LEU HD23 H 1 0.883 . . . . . . . 52 L QD2 . 16983 1 583 . 1 1 52 52 LEU HG H 1 1.842 . . 1 . . . . 52 L HG . 16983 1 584 . 1 1 52 52 LEU CA C 13 53.635 . . 1 . . . . 52 L CA . 16983 1 585 . 1 1 52 52 LEU CB C 13 41.931 . . 1 . . . . 52 L CB . 16983 1 586 . 1 1 52 52 LEU CD1 C 13 26.117 . . 2 . . . . 52 L CD1 . 16983 1 587 . 1 1 52 52 LEU CD2 C 13 23.421 . . 2 . . . . 52 L CD2 . 16983 1 588 . 1 1 52 52 LEU N N 15 122.443 . . 1 . . . . 52 L N . 16983 1 589 . 1 1 53 53 PRO HA H 1 4.449 . . 1 . . . . 53 P HA . 16983 1 590 . 1 1 53 53 PRO HB2 H 1 2.348 . . 2 . . . . 53 P HB2 . 16983 1 591 . 1 1 53 53 PRO HB3 H 1 1.962 . . 2 . . . . 53 P HB3 . 16983 1 592 . 1 1 53 53 PRO HD2 H 1 3.792 . . 2 . . . . 53 P HD2 . 16983 1 593 . 1 1 53 53 PRO HD3 H 1 3.570 . . 2 . . . . 53 P HD3 . 16983 1 594 . 1 1 53 53 PRO HG2 H 1 2.016 . . 2 . . . . 53 P QG . 16983 1 595 . 1 1 53 53 PRO HG3 H 1 2.016 . . 2 . . . . 53 P QG . 16983 1 596 . 1 1 53 53 PRO C C 13 177.263 . . 1 . . . . 53 P C . 16983 1 597 . 1 1 53 53 PRO CA C 13 63.598 . . 1 . . . . 53 P CA . 16983 1 598 . 1 1 53 53 PRO CB C 13 32.115 . . 1 . . . . 53 P CB . 16983 1 599 . 1 1 53 53 PRO CD C 13 50.548 . . 1 . . . . 53 P CD . 16983 1 600 . 1 1 53 53 PRO CG C 13 27.526 . . 1 . . . . 53 P CG . 16983 1 601 . 1 1 54 54 GLU H H 1 8.463 . . 1 . . . . 54 E H . 16983 1 602 . 1 1 54 54 GLU HA H 1 4.179 . . 1 . . . . 54 E HA . 16983 1 603 . 1 1 54 54 GLU HB2 H 1 2.049 . . 2 . . . . 54 E HB2 . 16983 1 604 . 1 1 54 54 GLU HB3 H 1 2.006 . . 2 . . . . 54 E HB3 . 16983 1 605 . 1 1 54 54 GLU HG2 H 1 2.276 . . 2 . . . . 54 E QG . 16983 1 606 . 1 1 54 54 GLU HG3 H 1 2.276 . . 2 . . . . 54 E QG . 16983 1 607 . 1 1 54 54 GLU C C 13 176.666 . . 1 . . . . 54 E C . 16983 1 608 . 1 1 54 54 GLU CA C 13 57.693 . . 1 . . . . 54 E CA . 16983 1 609 . 1 1 54 54 GLU CB C 13 29.882 . . 1 . . . . 54 E CB . 16983 1 610 . 1 1 54 54 GLU CG C 13 36.450 . . 1 . . . . 54 E CG . 16983 1 611 . 1 1 54 54 GLU N N 15 118.363 . . 1 . . . . 54 E N . 16983 1 612 . 1 1 55 55 SER H H 1 7.929 . . 1 . . . . 55 S H . 16983 1 613 . 1 1 55 55 SER HA H 1 4.311 . . 1 . . . . 55 S HA . 16983 1 614 . 1 1 55 55 SER HB2 H 1 3.903 . . 2 . . . . 55 S QB . 16983 1 615 . 1 1 55 55 SER HB3 H 1 3.903 . . 2 . . . . 55 S QB . 16983 1 616 . 1 1 55 55 SER C C 13 174.163 . . 1 . . . . 55 S C . 16983 1 617 . 1 1 55 55 SER CA C 13 59.018 . . 1 . . . . 55 S CA . 16983 1 618 . 1 1 55 55 SER CB C 13 63.698 . . 1 . . . . 55 S CB . 16983 1 619 . 1 1 55 55 SER N N 15 113.500 . . 1 . . . . 55 S N . 16983 1 620 . 1 1 56 56 VAL H H 1 7.730 . . 1 . . . . 56 V H . 16983 1 621 . 1 1 56 56 VAL HA H 1 4.288 . . 1 . . . . 56 V HA . 16983 1 622 . 1 1 56 56 VAL HB H 1 2.041 . . 1 . . . . 56 V HB . 16983 1 623 . 1 1 56 56 VAL HG11 H 1 0.897 . . . . . . . 56 V QG1 . 16983 1 624 . 1 1 56 56 VAL HG12 H 1 0.897 . . . . . . . 56 V QG1 . 16983 1 625 . 1 1 56 56 VAL HG13 H 1 0.897 . . . . . . . 56 V QG1 . 16983 1 626 . 1 1 56 56 VAL HG21 H 1 0.881 . . . . . . . 56 V QG2 . 16983 1 627 . 1 1 56 56 VAL HG22 H 1 0.881 . . . . . . . 56 V QG2 . 16983 1 628 . 1 1 56 56 VAL HG23 H 1 0.881 . . . . . . . 56 V QG2 . 16983 1 629 . 1 1 56 56 VAL C C 13 174.728 . . 1 . . . . 56 V C . 16983 1 630 . 1 1 56 56 VAL CA C 13 61.794 . . 1 . . . . 56 V CA . 16983 1 631 . 1 1 56 56 VAL CB C 13 33.090 . . 1 . . . . 56 V CB . 16983 1 632 . 1 1 56 56 VAL CG1 C 13 21.775 . . 2 . . . . 56 V CG1 . 16983 1 633 . 1 1 56 56 VAL CG2 C 13 20.983 . . 2 . . . . 56 V CG2 . 16983 1 634 . 1 1 56 56 VAL N N 15 120.787 . . 1 . . . . 56 V N . 16983 1 635 . 1 1 57 57 ALA H H 1 8.198 . . 1 . . . . 57 A H . 16983 1 636 . 1 1 57 57 ALA HA H 1 4.423 . . 1 . . . . 57 A HA . 16983 1 637 . 1 1 57 57 ALA HB1 H 1 1.316 . . . . . . . 57 A QB . 16983 1 638 . 1 1 57 57 ALA HB2 H 1 1.316 . . . . . . . 57 A QB . 16983 1 639 . 1 1 57 57 ALA HB3 H 1 1.316 . . . . . . . 57 A QB . 16983 1 640 . 1 1 57 57 ALA C C 13 176.720 . . 1 . . . . 57 A C . 16983 1 641 . 1 1 57 57 ALA CA C 13 51.794 . . 1 . . . . 57 A CA . 16983 1 642 . 1 1 57 57 ALA CB C 13 20.250 . . 1 . . . . 57 A CB . 16983 1 643 . 1 1 57 57 ALA N N 15 126.956 . . 1 . . . . 57 A N . 16983 1 644 . 1 1 58 58 TYR H H 1 8.596 . . 1 . . . . 58 Y H . 16983 1 645 . 1 1 58 58 TYR HA H 1 4.497 . . 1 . . . . 58 Y HA . 16983 1 646 . 1 1 58 58 TYR HB2 H 1 2.936 . . 2 . . . . 58 Y HB2 . 16983 1 647 . 1 1 58 58 TYR HB3 H 1 2.747 . . 2 . . . . 58 Y HB3 . 16983 1 648 . 1 1 58 58 TYR HD1 H 1 6.705 . . 3 . . . . 58 Y QD . 16983 1 649 . 1 1 58 58 TYR HD2 H 1 6.705 . . 3 . . . . 58 Y QD . 16983 1 650 . 1 1 58 58 TYR HE1 H 1 6.692 . . 3 . . . . 58 Y HE1 . 16983 1 651 . 1 1 58 58 TYR HE2 H 1 6.461 . . 3 . . . . 58 Y HE2 . 16983 1 652 . 1 1 58 58 TYR C C 13 174.474 . . 1 . . . . 58 Y C . 16983 1 653 . 1 1 58 58 TYR CA C 13 58.359 . . 1 . . . . 58 Y CA . 16983 1 654 . 1 1 58 58 TYR CB C 13 39.900 . . 1 . . . . 58 Y CB . 16983 1 655 . 1 1 58 58 TYR CD1 C 13 132.711 . . 3 . . . . 58 Y CD1 . 16983 1 656 . 1 1 58 58 TYR CD2 C 13 132.680 . . 3 . . . . 58 Y CD2 . 16983 1 657 . 1 1 58 58 TYR CE1 C 13 118.330 . . 3 . . . . 58 Y CE1 . 16983 1 658 . 1 1 58 58 TYR CE2 C 13 117.984 . . 3 . . . . 58 Y CE2 . 16983 1 659 . 1 1 58 58 TYR N N 15 123.526 . . 1 . . . . 58 Y N . 16983 1 660 . 1 1 59 59 THR H H 1 7.208 . . 1 . . . . 59 T H . 16983 1 661 . 1 1 59 59 THR HA H 1 4.922 . . 1 . . . . 59 T HA . 16983 1 662 . 1 1 59 59 THR HB H 1 3.612 . . 1 . . . . 59 T HB . 16983 1 663 . 1 1 59 59 THR HG21 H 1 1.002 . . . . . . . 59 T QG2 . 16983 1 664 . 1 1 59 59 THR HG22 H 1 1.002 . . . . . . . 59 T QG2 . 16983 1 665 . 1 1 59 59 THR HG23 H 1 1.002 . . . . . . . 59 T QG2 . 16983 1 666 . 1 1 59 59 THR C C 13 172.711 . . 1 . . . . 59 T C . 16983 1 667 . 1 1 59 59 THR CA C 13 60.466 . . 1 . . . . 59 T CA . 16983 1 668 . 1 1 59 59 THR CB C 13 70.590 . . 1 . . . . 59 T CB . 16983 1 669 . 1 1 59 59 THR CG2 C 13 22.676 . . 1 . . . . 59 T CG2 . 16983 1 670 . 1 1 59 59 THR N N 15 123.419 . . 1 . . . . 59 T N . 16983 1 671 . 1 1 60 60 CYS H H 1 9.556 . . 1 . . . . 60 C H . 16983 1 672 . 1 1 60 60 CYS HA H 1 4.518 . . 1 . . . . 60 C HA . 16983 1 673 . 1 1 60 60 CYS HB2 H 1 3.659 . . 2 . . . . 60 C HB2 . 16983 1 674 . 1 1 60 60 CYS HB3 H 1 2.670 . . 2 . . . . 60 C HB3 . 16983 1 675 . 1 1 60 60 CYS C C 13 176.950 . . 1 . . . . 60 C C . 16983 1 676 . 1 1 60 60 CYS CA C 13 58.306 . . 1 . . . . 60 C CA . 16983 1 677 . 1 1 60 60 CYS CB C 13 32.169 . . 1 . . . . 60 C CB . 16983 1 678 . 1 1 60 60 CYS N N 15 128.585 . . 1 . . . . 60 C N . 16983 1 679 . 1 1 61 61 VAL H H 1 9.150 . . 1 . . . . 61 V H . 16983 1 680 . 1 1 61 61 VAL HA H 1 3.746 . . 1 . . . . 61 V HA . 16983 1 681 . 1 1 61 61 VAL HB H 1 2.152 . . 1 . . . . 61 V HB . 16983 1 682 . 1 1 61 61 VAL HG11 H 1 1.021 . . . . . . . 61 V QG1 . 16983 1 683 . 1 1 61 61 VAL HG12 H 1 1.021 . . . . . . . 61 V QG1 . 16983 1 684 . 1 1 61 61 VAL HG13 H 1 1.021 . . . . . . . 61 V QG1 . 16983 1 685 . 1 1 61 61 VAL HG21 H 1 0.949 . . . . . . . 61 V QG2 . 16983 1 686 . 1 1 61 61 VAL HG22 H 1 0.949 . . . . . . . 61 V QG2 . 16983 1 687 . 1 1 61 61 VAL HG23 H 1 0.949 . . . . . . . 61 V QG2 . 16983 1 688 . 1 1 61 61 VAL CA C 13 65.567 . . 1 . . . . 61 V CA . 16983 1 689 . 1 1 61 61 VAL CB C 13 31.946 . . 1 . . . . 61 V CB . 16983 1 690 . 1 1 61 61 VAL CG1 C 13 21.698 . . 2 . . . . 61 V CG1 . 16983 1 691 . 1 1 61 61 VAL CG2 C 13 20.873 . . 2 . . . . 61 V CG2 . 16983 1 692 . 1 1 61 61 VAL N N 15 120.014 . . 1 . . . . 61 V N . 16983 1 693 . 1 1 62 62 ASN H H 1 8.451 . . 1 . . . . 62 N H . 16983 1 694 . 1 1 62 62 ASN HA H 1 4.535 . . 1 . . . . 62 N HA . 16983 1 695 . 1 1 62 62 ASN HB2 H 1 2.874 . . 2 . . . . 62 N HB2 . 16983 1 696 . 1 1 62 62 ASN HB3 H 1 2.843 . . 2 . . . . 62 N HB3 . 16983 1 697 . 1 1 62 62 ASN HD21 H 1 7.827 . . 2 . . . . 62 N HD21 . 16983 1 698 . 1 1 62 62 ASN HD22 H 1 6.921 . . 2 . . . . 62 N HD22 . 16983 1 699 . 1 1 62 62 ASN C C 13 177.256 . . 1 . . . . 62 N C . 16983 1 700 . 1 1 62 62 ASN CA C 13 56.098 . . 1 . . . . 62 N CA . 16983 1 701 . 1 1 62 62 ASN CB C 13 39.300 . . 1 . . . . 62 N CB . 16983 1 702 . 1 1 62 62 ASN N N 15 120.510 . . 1 . . . . 62 N N . 16983 1 703 . 1 1 62 62 ASN ND2 N 15 113.008 . . 1 . . . . 62 N ND2 . 16983 1 704 . 1 1 63 63 CYS H H 1 8.258 . . 1 . . . . 63 C H . 16983 1 705 . 1 1 63 63 CYS HA H 1 4.007 . . 1 . . . . 63 C HA . 16983 1 706 . 1 1 63 63 CYS HB2 H 1 2.765 . . 2 . . . . 63 C QB . 16983 1 707 . 1 1 63 63 CYS HB3 H 1 2.765 . . 2 . . . . 63 C QB . 16983 1 708 . 1 1 63 63 CYS C C 13 176.358 . . 1 . . . . 63 C C . 16983 1 709 . 1 1 63 63 CYS CA C 13 62.925 . . 1 . . . . 63 C CA . 16983 1 710 . 1 1 63 63 CYS CB C 13 30.673 . . 1 . . . . 63 C CB . 16983 1 711 . 1 1 63 63 CYS N N 15 122.008 . . 1 . . . . 63 C N . 16983 1 712 . 1 1 64 64 THR H H 1 7.700 . . 1 . . . . 64 T H . 16983 1 713 . 1 1 64 64 THR HA H 1 3.926 . . 1 . . . . 64 T HA . 16983 1 714 . 1 1 64 64 THR HB H 1 4.082 . . 1 . . . . 64 T HB . 16983 1 715 . 1 1 64 64 THR HG21 H 1 1.110 . . . . . . . 64 T QG2 . 16983 1 716 . 1 1 64 64 THR HG22 H 1 1.110 . . . . . . . 64 T QG2 . 16983 1 717 . 1 1 64 64 THR HG23 H 1 1.110 . . . . . . . 64 T QG2 . 16983 1 718 . 1 1 64 64 THR C C 13 174.396 . . 1 . . . . 64 T C . 16983 1 719 . 1 1 64 64 THR CA C 13 64.116 . . 1 . . . . 64 T CA . 16983 1 720 . 1 1 64 64 THR CB C 13 69.702 . . 1 . . . . 64 T CB . 16983 1 721 . 1 1 64 64 THR CG2 C 13 21.386 . . 1 . . . . 64 T CG2 . 16983 1 722 . 1 1 64 64 THR N N 15 116.018 . . 1 . . . . 64 T N . 16983 1 723 . 1 1 65 65 GLU H H 1 8.154 . . 1 . . . . 65 E H . 16983 1 724 . 1 1 65 65 GLU HA H 1 4.161 . . 1 . . . . 65 E HA . 16983 1 725 . 1 1 65 65 GLU HB2 H 1 1.944 . . 2 . . . . 65 E HB2 . 16983 1 726 . 1 1 65 65 GLU HB3 H 1 1.899 . . 2 . . . . 65 E HB3 . 16983 1 727 . 1 1 65 65 GLU HG2 H 1 2.254 . . 2 . . . . 65 E HG2 . 16983 1 728 . 1 1 65 65 GLU HG3 H 1 2.145 . . 2 . . . . 65 E HG3 . 16983 1 729 . 1 1 65 65 GLU C C 13 176.016 . . 1 . . . . 65 E C . 16983 1 730 . 1 1 65 65 GLU CA C 13 56.834 . . 1 . . . . 65 E CA . 16983 1 731 . 1 1 65 65 GLU CB C 13 30.208 . . 1 . . . . 65 E CB . 16983 1 732 . 1 1 65 65 GLU CG C 13 36.381 . . 1 . . . . 65 E CG . 16983 1 733 . 1 1 65 65 GLU N N 15 123.578 . . 1 . . . . 65 E N . 16983 1 734 . 1 1 66 66 ARG H H 1 8.004 . . 1 . . . . 66 R H . 16983 1 735 . 1 1 66 66 ARG HA H 1 4.260 . . 1 . . . . 66 R HA . 16983 1 736 . 1 1 66 66 ARG HB2 H 1 1.779 . . 2 . . . . 66 R HB2 . 16983 1 737 . 1 1 66 66 ARG HB3 H 1 1.668 . . 2 . . . . 66 R HB3 . 16983 1 738 . 1 1 66 66 ARG HD2 H 1 3.134 . . 2 . . . . 66 R QD . 16983 1 739 . 1 1 66 66 ARG HD3 H 1 3.134 . . 2 . . . . 66 R QD . 16983 1 740 . 1 1 66 66 ARG HG2 H 1 1.567 . . 2 . . . . 66 R QG . 16983 1 741 . 1 1 66 66 ARG HG3 H 1 1.567 . . 2 . . . . 66 R QG . 16983 1 742 . 1 1 66 66 ARG C C 13 175.211 . . 1 . . . . 66 R C . 16983 1 743 . 1 1 66 66 ARG CA C 13 56.082 . . 1 . . . . 66 R CA . 16983 1 744 . 1 1 66 66 ARG CB C 13 30.894 . . 1 . . . . 66 R CB . 16983 1 745 . 1 1 66 66 ARG CD C 13 43.448 . . 1 . . . . 66 R CD . 16983 1 746 . 1 1 66 66 ARG CG C 13 27.163 . . 1 . . . . 66 R CG . 16983 1 747 . 1 1 66 66 ARG N N 15 122.210 . . 1 . . . . 66 R N . 16983 1 748 . 1 1 67 67 HIS H H 1 7.978 . . 1 . . . . 67 H H . 16983 1 749 . 1 1 67 67 HIS HA H 1 4.418 . . 1 . . . . 67 H HA . 16983 1 750 . 1 1 67 67 HIS HB2 H 1 3.184 . . 2 . . . . 67 H HB2 . 16983 1 751 . 1 1 67 67 HIS HB3 H 1 3.005 . . 2 . . . . 67 H HB3 . 16983 1 752 . 1 1 67 67 HIS HD2 H 1 7.076 . . 1 . . . . 67 H HD2 . 16983 1 753 . 1 1 67 67 HIS HE1 H 1 8.245 . . 1 . . . . 67 H HE1 . 16983 1 754 . 1 1 67 67 HIS CA C 13 57.225 . . 1 . . . . 67 H CA . 16983 1 755 . 1 1 67 67 HIS CB C 13 30.731 . . 1 . . . . 67 H CB . 16983 1 756 . 1 1 67 67 HIS CD2 C 13 119.927 . . 1 . . . . 67 H CD2 . 16983 1 757 . 1 1 67 67 HIS CE1 C 13 136.818 . . 1 . . . . 67 H CE1 . 16983 1 758 . 1 1 67 67 HIS N N 15 125.464 . . 1 . . . . 67 H N . 16983 1 stop_ save_