data_15377 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15377 _Entry.Title ; Solution structure of human DESR1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-07-12 _Entry.Accession_date 2007-07-12 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _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 Fangming Wu . . . 15377 2 Jihui Wu . . . 15377 3 Yunyu Shi . . . 15377 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 . 'China Strurural Genomics' 'Hefei National Laboratory for Physical Sciences at Microscale' . 15377 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'CSL zinc finger' . 15377 DESR1 . 15377 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15377 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 317 15377 '15N chemical shifts' 76 15377 '1H chemical shifts' 535 15377 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2010-05-26 2007-07-12 update BMRB 'update entity name' 15377 1 . . 2008-03-13 2007-07-12 original author 'original release' 15377 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2JR7 'BMRB Entry Tracking System' 15377 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15377 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18214955 _Citation.Full_citation . _Citation.Title 'Solution structure of human DESR1, a CSL zinc-binding protein.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _Citation.Journal_name_full . _Citation.Journal_volume 71 _Citation.Journal_issue 1 _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 514 _Citation.Page_last 518 _Citation.Year 2008 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Fangming Wu . . . 15377 1 2 J. Zhang . . . 15377 1 3 J. Sun . . . 15377 1 4 H. Huang . . . 15377 1 5 P. Ji . . . 15377 1 6 W. Chu . . . 15377 1 7 M. Yu . . . 15377 1 8 F. Yang . . . 15377 1 9 Z. Wu . . . 15377 1 10 J. Wu . . . 15377 1 11 Y. Shi . . . 15377 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15377 _Assembly.ID 1 _Assembly.Name DESR1 _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 DESR1 1 $entity_1 A . yes native no no . . . 15377 1 2 ZN 2 $ZN B . no native no no . . . 15377 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 15377 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name DESR1 _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 ; MAVFHDEVEIEDFQYDEDSE TYFYPCPCGDNFSITKEDLE NGEDVATCPSCSLIIKVIYD KDQFVSGETVPAPSANKELV KLEHHHHHH ; _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 89 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all other bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation C66S _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9512.521 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 2JR7 . "Solution Structure Of Human Desr1" . . . . . 100.00 89 100.00 100.00 2.47e-57 . . . . 15377 1 2 no DBJ BAE02507 . "unnamed protein product [Macaca fascicularis]" . . . . . 91.01 82 98.77 98.77 1.03e-49 . . . . 15377 1 3 no EMBL CAH92222 . "hypothetical protein [Pongo abelii]" . . . . . 91.01 82 98.77 98.77 1.03e-49 . . . . 15377 1 4 no GB AAH10181 . "DPH3, KTI11 homolog (S. cerevisiae) [Homo sapiens]" . . . . . 91.01 82 98.77 98.77 1.03e-49 . . . . 15377 1 5 no GB AAI68674 . "Dph3 protein [Rattus norvegicus]" . . . . . 68.54 73 98.36 100.00 1.52e-35 . . . . 15377 1 6 no GB ADZ15684 . "DPH3, KTI11 homolog (S. cerevisiae) [synthetic construct]" . . . . . 91.01 82 98.77 98.77 1.03e-49 . . . . 15377 1 7 no GB AIC53581 . "DPH3, partial [synthetic construct]" . . . . . 91.01 82 98.77 98.77 1.03e-49 . . . . 15377 1 8 no GB EAW64268 . "zinc finger, CSL-type containing 2, isoform CRA_a [Homo sapiens]" . . . . . 91.01 82 98.77 98.77 1.03e-49 . . . . 15377 1 9 no REF NP_001126299 . "DPH3 homolog [Pongo abelii]" . . . . . 91.01 82 98.77 98.77 1.03e-49 . . . . 15377 1 10 no REF NP_001247449 . "DPH3, KTI11 homolog [Macaca mulatta]" . . . . . 91.01 82 98.77 98.77 1.03e-49 . . . . 15377 1 11 no REF NP_996662 . "DPH3 homolog isoform 1 [Homo sapiens]" . . . . . 91.01 82 98.77 98.77 1.03e-49 . . . . 15377 1 12 no REF XP_002759684 . "PREDICTED: DPH3 homolog [Callithrix jacchus]" . . . . . 91.01 82 98.77 98.77 1.03e-49 . . . . 15377 1 13 no REF XP_002814073 . "PREDICTED: DPH3 homolog [Pongo abelii]" . . . . . 68.54 85 100.00 100.00 4.70e-36 . . . . 15377 1 14 no SP Q4R312 . "RecName: Full=DPH3 homolog; AltName: Full=CSL-type zinc finger-containing protein 2 [Macaca fascicularis]" . . . . . 91.01 82 98.77 98.77 1.03e-49 . . . . 15377 1 15 no SP Q5R7N8 . "RecName: Full=DPH3 homolog; AltName: Full=CSL-type zinc finger-containing protein 2" . . . . . 91.01 82 98.77 98.77 1.03e-49 . . . . 15377 1 16 no SP Q96FX2 . "RecName: Full=DPH3 homolog; AltName: Full=CSL-type zinc finger-containing protein 2; AltName: Full=DelGEF-interacting protein 1" . . . . . 91.01 82 98.77 98.77 1.03e-49 . . . . 15377 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 . MET . 15377 1 2 . ALA . 15377 1 3 . VAL . 15377 1 4 . PHE . 15377 1 5 . HIS . 15377 1 6 . ASP . 15377 1 7 . GLU . 15377 1 8 . VAL . 15377 1 9 . GLU . 15377 1 10 . ILE . 15377 1 11 . GLU . 15377 1 12 . ASP . 15377 1 13 . PHE . 15377 1 14 . GLN . 15377 1 15 . TYR . 15377 1 16 . ASP . 15377 1 17 . GLU . 15377 1 18 . ASP . 15377 1 19 . SER . 15377 1 20 . GLU . 15377 1 21 . THR . 15377 1 22 . TYR . 15377 1 23 . PHE . 15377 1 24 . TYR . 15377 1 25 . PRO . 15377 1 26 . CYS . 15377 1 27 . PRO . 15377 1 28 . CYS . 15377 1 29 . GLY . 15377 1 30 . ASP . 15377 1 31 . ASN . 15377 1 32 . PHE . 15377 1 33 . SER . 15377 1 34 . ILE . 15377 1 35 . THR . 15377 1 36 . LYS . 15377 1 37 . GLU . 15377 1 38 . ASP . 15377 1 39 . LEU . 15377 1 40 . GLU . 15377 1 41 . ASN . 15377 1 42 . GLY . 15377 1 43 . GLU . 15377 1 44 . ASP . 15377 1 45 . VAL . 15377 1 46 . ALA . 15377 1 47 . THR . 15377 1 48 . CYS . 15377 1 49 . PRO . 15377 1 50 . SER . 15377 1 51 . CYS . 15377 1 52 . SER . 15377 1 53 . LEU . 15377 1 54 . ILE . 15377 1 55 . ILE . 15377 1 56 . LYS . 15377 1 57 . VAL . 15377 1 58 . ILE . 15377 1 59 . TYR . 15377 1 60 . ASP . 15377 1 61 . LYS . 15377 1 62 . ASP . 15377 1 63 . GLN . 15377 1 64 . PHE . 15377 1 65 . VAL . 15377 1 66 . SER . 15377 1 67 . GLY . 15377 1 68 . GLU . 15377 1 69 . THR . 15377 1 70 . VAL . 15377 1 71 . PRO . 15377 1 72 . ALA . 15377 1 73 . PRO . 15377 1 74 . SER . 15377 1 75 . ALA . 15377 1 76 . ASN . 15377 1 77 . LYS . 15377 1 78 . GLU . 15377 1 79 . LEU . 15377 1 80 . VAL . 15377 1 81 . LYS . 15377 1 82 . LEU . 15377 1 83 . GLU . 15377 1 84 . HIS . 15377 1 85 . HIS . 15377 1 86 . HIS . 15377 1 87 . HIS . 15377 1 88 . HIS . 15377 1 89 . HIS . 15377 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 . MET 1 1 15377 1 . ALA 2 2 15377 1 . VAL 3 3 15377 1 . PHE 4 4 15377 1 . HIS 5 5 15377 1 . ASP 6 6 15377 1 . GLU 7 7 15377 1 . VAL 8 8 15377 1 . GLU 9 9 15377 1 . ILE 10 10 15377 1 . GLU 11 11 15377 1 . ASP 12 12 15377 1 . PHE 13 13 15377 1 . GLN 14 14 15377 1 . TYR 15 15 15377 1 . ASP 16 16 15377 1 . GLU 17 17 15377 1 . ASP 18 18 15377 1 . SER 19 19 15377 1 . GLU 20 20 15377 1 . THR 21 21 15377 1 . TYR 22 22 15377 1 . PHE 23 23 15377 1 . TYR 24 24 15377 1 . PRO 25 25 15377 1 . CYS 26 26 15377 1 . PRO 27 27 15377 1 . CYS 28 28 15377 1 . GLY 29 29 15377 1 . ASP 30 30 15377 1 . ASN 31 31 15377 1 . PHE 32 32 15377 1 . SER 33 33 15377 1 . ILE 34 34 15377 1 . THR 35 35 15377 1 . LYS 36 36 15377 1 . GLU 37 37 15377 1 . ASP 38 38 15377 1 . LEU 39 39 15377 1 . GLU 40 40 15377 1 . ASN 41 41 15377 1 . GLY 42 42 15377 1 . GLU 43 43 15377 1 . ASP 44 44 15377 1 . VAL 45 45 15377 1 . ALA 46 46 15377 1 . THR 47 47 15377 1 . CYS 48 48 15377 1 . PRO 49 49 15377 1 . SER 50 50 15377 1 . CYS 51 51 15377 1 . SER 52 52 15377 1 . LEU 53 53 15377 1 . ILE 54 54 15377 1 . ILE 55 55 15377 1 . LYS 56 56 15377 1 . VAL 57 57 15377 1 . ILE 58 58 15377 1 . TYR 59 59 15377 1 . ASP 60 60 15377 1 . LYS 61 61 15377 1 . ASP 62 62 15377 1 . GLN 63 63 15377 1 . PHE 64 64 15377 1 . VAL 65 65 15377 1 . SER 66 66 15377 1 . GLY 67 67 15377 1 . GLU 68 68 15377 1 . THR 69 69 15377 1 . VAL 70 70 15377 1 . PRO 71 71 15377 1 . ALA 72 72 15377 1 . PRO 73 73 15377 1 . SER 74 74 15377 1 . ALA 75 75 15377 1 . ASN 76 76 15377 1 . LYS 77 77 15377 1 . GLU 78 78 15377 1 . LEU 79 79 15377 1 . VAL 80 80 15377 1 . LYS 81 81 15377 1 . LEU 82 82 15377 1 . GLU 83 83 15377 1 . HIS 84 84 15377 1 . HIS 85 85 15377 1 . HIS 86 86 15377 1 . HIS 87 87 15377 1 . HIS 88 88 15377 1 . HIS 89 89 15377 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 15377 _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 . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _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 . 15377 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 15377 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . DESR1 . . . . 15377 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 15377 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3)GOLD . . . . . . . . . . . . . . . 'pET22b (+)' . . . 'the human brain cDNA library' . . 15377 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 15377 _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 . _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 . _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 . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jun 22 03:38:33 2007 ; _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 15377 ZN [Zn++] SMILES_CANONICAL CACTVS 2.87 15377 ZN [Zn+2] SMILES OpenEye/OEToolkits 1.4.2 15377 ZN [Zn+2] SMILES_CANONICAL OpenEye/OEToolkits 1.4.2 15377 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(+2) cation' 'SYSTEMATIC NAME' OpenEye/Lexichem 1.4 15377 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 . . . . . . . . . . . . . . . 15377 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15377 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 1.5 . . mM . . . . 15377 1 2 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 15377 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 15377 1 4 beta-mercaptoethanol 'natural abundance' . . . . . . 14 . . mM . . . . 15377 1 5 H2O . . . . . . . 90 . . % . . . . 15377 1 6 D2O . . . . . . . 10 . . % . . . . 15377 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15377 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '99.99% 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 entity_1 '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 1.5 . . mM . . . . 15377 2 2 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 15377 2 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 15377 2 4 beta-mercaptoethanol 'natural abundance' . . . . . . 14 . . mM . . . . 15377 2 5 D2O . . . . . . . 99.9 . . % . . . . 15377 2 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 15377 _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 7.0 . pH 15377 1 pressure 1 . atm 15377 1 temperature 295 . K 15377 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 15377 _Software.ID 1 _Software.Name CNS _Software.Version 1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 15377 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15377 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15377 _Software.ID 2 _Software.Name NMRPipe _Software.Version 2.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15377 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15377 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15377 _Software.ID 3 _Software.Name SPARKY _Software.Version 3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 15377 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15377 3 stop_ save_ save_CSI _Software.Sf_category software _Software.Sf_framecode CSI _Software.Entry_ID 15377 _Software.ID 4 _Software.Name CSI _Software.Version 1.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'David S. Wishart' . . 15377 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15377 4 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 15377 _Software.ID 5 _Software.Name Molmol _Software.Version 2K.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 15377 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15377 5 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 15377 _Software.ID 6 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 15377 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15377 6 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 15377 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _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 15377 _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 Bruker DMX . 600 . . . 15377 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 15377 _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 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15377 1 2 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15377 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 15377 _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 water protons . . . . ppm 4.799 internal indirect 0.2514 . . . . . . . . . 15377 1 H 1 water protons . . . . ppm 4.799 internal direct 1 . . . . . . . . . 15377 1 N 15 water protons . . . . ppm 4.799 internal indirect 0.1013 . . . . . . . . . 15377 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 15377 _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 '3D 1H-15N NOESY' . . . 15377 1 2 '3D 1H-13C NOESY' . . . 15377 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 VAL HA H 1 3.945 0.003 . . . . . . 3 V HA . 15377 1 2 . 1 1 3 3 VAL HB H 1 1.850 0.005 . . . . . . 3 V HB . 15377 1 3 . 1 1 3 3 VAL HG11 H 1 0.769 0.016 . . . . . . 3 V HG11 . 15377 1 4 . 1 1 3 3 VAL HG12 H 1 0.769 0.016 . . . . . . 3 V HG12 . 15377 1 5 . 1 1 3 3 VAL HG13 H 1 0.769 0.016 . . . . . . 3 V HG13 . 15377 1 6 . 1 1 3 3 VAL HG21 H 1 0.725 0.007 . . . . . . 3 V HG21 . 15377 1 7 . 1 1 3 3 VAL HG22 H 1 0.725 0.007 . . . . . . 3 V HG22 . 15377 1 8 . 1 1 3 3 VAL HG23 H 1 0.725 0.007 . . . . . . 3 V HG23 . 15377 1 9 . 1 1 3 3 VAL C C 13 175.057 0.009 . . . . . . 3 V CO . 15377 1 10 . 1 1 3 3 VAL CA C 13 62.144 0.130 . . . . . . 3 V CA . 15377 1 11 . 1 1 3 3 VAL CB C 13 32.855 0.037 . . . . . . 3 V CB . 15377 1 12 . 1 1 3 3 VAL CG1 C 13 20.788 0.000 . . . . . . 3 V CG1 . 15377 1 13 . 1 1 3 3 VAL CG2 C 13 20.788 0.000 . . . . . . 3 V CG2 . 15377 1 14 . 1 1 4 4 PHE H H 1 8.335 0.007 . . . . . . 4 F NH . 15377 1 15 . 1 1 4 4 PHE HA H 1 4.670 0.005 . . . . . . 4 F HA . 15377 1 16 . 1 1 4 4 PHE HB2 H 1 3.141 0.007 . . . . . . 4 F HB2 . 15377 1 17 . 1 1 4 4 PHE HB3 H 1 2.826 0.004 . . . . . . 4 F HB3 . 15377 1 18 . 1 1 4 4 PHE HD1 H 1 7.079 0.005 . . . . . . 4 F HD1 . 15377 1 19 . 1 1 4 4 PHE HD2 H 1 7.079 0.005 . . . . . . 4 F HD2 . 15377 1 20 . 1 1 4 4 PHE C C 13 176.083 0.007 . . . . . . 4 F CO . 15377 1 21 . 1 1 4 4 PHE CA C 13 57.476 0.048 . . . . . . 4 F CA . 15377 1 22 . 1 1 4 4 PHE CB C 13 39.984 0.063 . . . . . . 4 F CB . 15377 1 23 . 1 1 4 4 PHE N N 15 122.211 0.024 . . . . . . 4 F N . 15377 1 24 . 1 1 5 5 HIS H H 1 9.474 0.009 . . . . . . 5 H NH . 15377 1 25 . 1 1 5 5 HIS HA H 1 4.446 0.004 . . . . . . 5 H HA . 15377 1 26 . 1 1 5 5 HIS HB2 H 1 3.348 0.004 . . . . . . 5 H HB2 . 15377 1 27 . 1 1 5 5 HIS HB3 H 1 3.076 0.004 . . . . . . 5 H HB3 . 15377 1 28 . 1 1 5 5 HIS C C 13 174.013 0.008 . . . . . . 5 H CO . 15377 1 29 . 1 1 5 5 HIS CA C 13 58.199 0.207 . . . . . . 5 H CA . 15377 1 30 . 1 1 5 5 HIS CB C 13 31.069 0.017 . . . . . . 5 H CB . 15377 1 31 . 1 1 5 5 HIS N N 15 124.275 0.021 . . . . . . 5 H N . 15377 1 32 . 1 1 6 6 ASP H H 1 7.521 0.011 . . . . . . 6 D NH . 15377 1 33 . 1 1 6 6 ASP HA H 1 4.504 0.007 . . . . . . 6 D HA . 15377 1 34 . 1 1 6 6 ASP HB2 H 1 2.401 0.006 . . . . . . 6 D HB2 . 15377 1 35 . 1 1 6 6 ASP HB3 H 1 2.106 0.007 . . . . . . 6 D HB3 . 15377 1 36 . 1 1 6 6 ASP C C 13 173.745 0.023 . . . . . . 6 D CO . 15377 1 37 . 1 1 6 6 ASP CA C 13 52.207 0.082 . . . . . . 6 D CA . 15377 1 38 . 1 1 6 6 ASP CB C 13 43.109 0.104 . . . . . . 6 D CB . 15377 1 39 . 1 1 6 6 ASP N N 15 112.579 0.030 . . . . . . 6 D N . 15377 1 40 . 1 1 7 7 GLU H H 1 8.716 0.010 . . . . . . 7 E NH . 15377 1 41 . 1 1 7 7 GLU HA H 1 4.981 0.006 . . . . . . 7 E HA . 15377 1 42 . 1 1 7 7 GLU HB2 H 1 1.780 0.010 . . . . . . 7 E HB2 . 15377 1 43 . 1 1 7 7 GLU HB3 H 1 1.606 0.007 . . . . . . 7 E HB3 . 15377 1 44 . 1 1 7 7 GLU HG2 H 1 2.135 0.007 . . . . . . 7 E HG2 . 15377 1 45 . 1 1 7 7 GLU HG3 H 1 1.819 0.005 . . . . . . 7 E HG3 . 15377 1 46 . 1 1 7 7 GLU C C 13 174.859 0.005 . . . . . . 7 E CO . 15377 1 47 . 1 1 7 7 GLU CA C 13 55.128 0.054 . . . . . . 7 E CA . 15377 1 48 . 1 1 7 7 GLU CB C 13 30.907 0.027 . . . . . . 7 E CB . 15377 1 49 . 1 1 7 7 GLU CG C 13 35.620 0.070 . . . . . . 7 E CG . 15377 1 50 . 1 1 7 7 GLU N N 15 120.351 0.027 . . . . . . 7 E N . 15377 1 51 . 1 1 8 8 VAL H H 1 8.742 0.011 . . . . . . 8 V NH . 15377 1 52 . 1 1 8 8 VAL HA H 1 4.063 0.003 . . . . . . 8 V HA . 15377 1 53 . 1 1 8 8 VAL HB H 1 1.296 0.007 . . . . . . 8 V HB . 15377 1 54 . 1 1 8 8 VAL HG11 H 1 0.185 0.007 . . . . . . 8 V HG11 . 15377 1 55 . 1 1 8 8 VAL HG12 H 1 0.185 0.007 . . . . . . 8 V HG12 . 15377 1 56 . 1 1 8 8 VAL HG13 H 1 0.185 0.007 . . . . . . 8 V HG13 . 15377 1 57 . 1 1 8 8 VAL HG21 H 1 0.185 0.007 . . . . . . 8 V HG21 . 15377 1 58 . 1 1 8 8 VAL HG22 H 1 0.185 0.007 . . . . . . 8 V HG22 . 15377 1 59 . 1 1 8 8 VAL HG23 H 1 0.185 0.007 . . . . . . 8 V HG23 . 15377 1 60 . 1 1 8 8 VAL C C 13 175.183 0.016 . . . . . . 8 V CO . 15377 1 61 . 1 1 8 8 VAL CA C 13 61.145 0.120 . . . . . . 8 V CA . 15377 1 62 . 1 1 8 8 VAL CB C 13 35.440 0.036 . . . . . . 8 V CB . 15377 1 63 . 1 1 8 8 VAL CG1 C 13 20.915 0.000 . . . . . . 8 V CG1 . 15377 1 64 . 1 1 8 8 VAL CG2 C 13 20.915 0.000 . . . . . . 8 V CG2 . 15377 1 65 . 1 1 8 8 VAL N N 15 124.863 0.054 . . . . . . 8 V N . 15377 1 66 . 1 1 9 9 GLU H H 1 8.987 0.007 . . . . . . 9 E NH . 15377 1 67 . 1 1 9 9 GLU HA H 1 4.590 0.004 . . . . . . 9 E HA . 15377 1 68 . 1 1 9 9 GLU HB2 H 1 2.337 0.007 . . . . . . 9 E HB2 . 15377 1 69 . 1 1 9 9 GLU HB3 H 1 1.892 0.008 . . . . . . 9 E HB3 . 15377 1 70 . 1 1 9 9 GLU HG2 H 1 2.212 0.008 . . . . . . 9 E HG2 . 15377 1 71 . 1 1 9 9 GLU HG3 H 1 2.333 0.004 . . . . . . 9 E HG3 . 15377 1 72 . 1 1 9 9 GLU C C 13 179.194 0.004 . . . . . . 9 E CO . 15377 1 73 . 1 1 9 9 GLU CA C 13 56.898 0.101 . . . . . . 9 E CA . 15377 1 74 . 1 1 9 9 GLU CB C 13 29.392 0.029 . . . . . . 9 E CB . 15377 1 75 . 1 1 9 9 GLU CG C 13 36.528 0.000 . . . . . . 9 E CG . 15377 1 76 . 1 1 9 9 GLU N N 15 127.978 0.033 . . . . . . 9 E N . 15377 1 77 . 1 1 10 10 ILE H H 1 8.169 0.009 . . . . . . 10 I NH . 15377 1 78 . 1 1 10 10 ILE HA H 1 3.886 0.004 . . . . . . 10 I HA . 15377 1 79 . 1 1 10 10 ILE HB H 1 1.089 0.008 . . . . . . 10 I HB . 15377 1 80 . 1 1 10 10 ILE HD11 H 1 -0.717 0.009 . . . . . . 10 I HD11 . 15377 1 81 . 1 1 10 10 ILE HD12 H 1 -0.717 0.009 . . . . . . 10 I HD12 . 15377 1 82 . 1 1 10 10 ILE HD13 H 1 -0.717 0.009 . . . . . . 10 I HD13 . 15377 1 83 . 1 1 10 10 ILE HG12 H 1 0.522 0.008 . . . . . . 10 I HG12 . 15377 1 84 . 1 1 10 10 ILE HG13 H 1 0.411 0.010 . . . . . . 10 I HG13 . 15377 1 85 . 1 1 10 10 ILE HG21 H 1 0.864 0.006 . . . . . . 10 I HG21 . 15377 1 86 . 1 1 10 10 ILE HG22 H 1 0.864 0.006 . . . . . . 10 I HG22 . 15377 1 87 . 1 1 10 10 ILE HG23 H 1 0.864 0.006 . . . . . . 10 I HG23 . 15377 1 88 . 1 1 10 10 ILE C C 13 176.524 0.002 . . . . . . 10 I CO . 15377 1 89 . 1 1 10 10 ILE CA C 13 61.087 0.189 . . . . . . 10 I CA . 15377 1 90 . 1 1 10 10 ILE CB C 13 38.620 0.135 . . . . . . 10 I CB . 15377 1 91 . 1 1 10 10 ILE CD1 C 13 13.033 0.000 . . . . . . 10 I CD . 15377 1 92 . 1 1 10 10 ILE CG1 C 13 28.538 0.114 . . . . . . 10 I CG1 . 15377 1 93 . 1 1 10 10 ILE CG2 C 13 19.069 0.000 . . . . . . 10 I CG2 . 15377 1 94 . 1 1 10 10 ILE N N 15 123.019 0.054 . . . . . . 10 I N . 15377 1 95 . 1 1 11 11 GLU H H 1 8.916 0.008 . . . . . . 11 E NH . 15377 1 96 . 1 1 11 11 GLU HA H 1 4.148 0.006 . . . . . . 11 E HA . 15377 1 97 . 1 1 11 11 GLU HB2 H 1 2.022 0.005 . . . . . . 11 E HB2 . 15377 1 98 . 1 1 11 11 GLU HB3 H 1 2.022 0.005 . . . . . . 11 E HB3 . 15377 1 99 . 1 1 11 11 GLU HG2 H 1 2.451 0.005 . . . . . . 11 E HG2 . 15377 1 100 . 1 1 11 11 GLU HG3 H 1 2.249 0.005 . . . . . . 11 E HG3 . 15377 1 101 . 1 1 11 11 GLU C C 13 176.605 0.009 . . . . . . 11 E CO . 15377 1 102 . 1 1 11 11 GLU CA C 13 59.792 0.083 . . . . . . 11 E CA . 15377 1 103 . 1 1 11 11 GLU CB C 13 28.737 0.050 . . . . . . 11 E CB . 15377 1 104 . 1 1 11 11 GLU CG C 13 37.252 0.053 . . . . . . 11 E CG . 15377 1 105 . 1 1 11 11 GLU N N 15 121.728 0.030 . . . . . . 11 E N . 15377 1 106 . 1 1 12 12 ASP H H 1 8.198 0.008 . . . . . . 12 D NH . 15377 1 107 . 1 1 12 12 ASP HA H 1 4.847 0.007 . . . . . . 12 D HA . 15377 1 108 . 1 1 12 12 ASP HB2 H 1 2.934 0.004 . . . . . . 12 D HB2 . 15377 1 109 . 1 1 12 12 ASP HB3 H 1 2.853 0.008 . . . . . . 12 D HB3 . 15377 1 110 . 1 1 12 12 ASP C C 13 177.303 0.011 . . . . . . 12 D CO . 15377 1 111 . 1 1 12 12 ASP CA C 13 55.227 0.052 . . . . . . 12 D CA . 15377 1 112 . 1 1 12 12 ASP CB C 13 41.074 0.037 . . . . . . 12 D CB . 15377 1 113 . 1 1 12 12 ASP N N 15 117.289 0.039 . . . . . . 12 D N . 15377 1 114 . 1 1 13 13 PHE H H 1 8.159 0.010 . . . . . . 13 F NH . 15377 1 115 . 1 1 13 13 PHE HA H 1 4.831 0.008 . . . . . . 13 F HA . 15377 1 116 . 1 1 13 13 PHE HB2 H 1 3.675 0.005 . . . . . . 13 F HB2 . 15377 1 117 . 1 1 13 13 PHE HB3 H 1 3.141 0.007 . . . . . . 13 F HB3 . 15377 1 118 . 1 1 13 13 PHE HD1 H 1 7.206 0.009 . . . . . . 13 F HD1 . 15377 1 119 . 1 1 13 13 PHE HD2 H 1 7.206 0.009 . . . . . . 13 F HD2 . 15377 1 120 . 1 1 13 13 PHE HE1 H 1 6.595 0.006 . . . . . . 13 F HE1 . 15377 1 121 . 1 1 13 13 PHE HE2 H 1 6.595 0.006 . . . . . . 13 F HE2 . 15377 1 122 . 1 1 13 13 PHE C C 13 176.571 0.009 . . . . . . 13 F CO . 15377 1 123 . 1 1 13 13 PHE CA C 13 58.278 0.108 . . . . . . 13 F CA . 15377 1 124 . 1 1 13 13 PHE CB C 13 39.824 0.027 . . . . . . 13 F CB . 15377 1 125 . 1 1 13 13 PHE N N 15 120.780 0.039 . . . . . . 13 F N . 15377 1 126 . 1 1 14 14 GLN H H 1 9.457 0.009 . . . . . . 14 Q NH . 15377 1 127 . 1 1 14 14 GLN HA H 1 4.648 0.004 . . . . . . 14 Q HA . 15377 1 128 . 1 1 14 14 GLN HB2 H 1 1.986 0.005 . . . . . . 14 Q HB2 . 15377 1 129 . 1 1 14 14 GLN HB3 H 1 1.679 0.006 . . . . . . 14 Q HB3 . 15377 1 130 . 1 1 14 14 GLN HG2 H 1 2.361 0.012 . . . . . . 14 Q HG2 . 15377 1 131 . 1 1 14 14 GLN HG3 H 1 2.318 0.005 . . . . . . 14 Q HG3 . 15377 1 132 . 1 1 14 14 GLN C C 13 175.044 0.003 . . . . . . 14 Q CO . 15377 1 133 . 1 1 14 14 GLN CA C 13 55.116 0.142 . . . . . . 14 Q CA . 15377 1 134 . 1 1 14 14 GLN CB C 13 30.655 0.018 . . . . . . 14 Q CB . 15377 1 135 . 1 1 14 14 GLN CG C 13 34.078 0.030 . . . . . . 14 Q CG . 15377 1 136 . 1 1 14 14 GLN N N 15 120.525 0.028 . . . . . . 14 Q N . 15377 1 137 . 1 1 15 15 TYR H H 1 9.006 0.009 . . . . . . 15 Y NH . 15377 1 138 . 1 1 15 15 TYR HA H 1 4.687 0.006 . . . . . . 15 Y HA . 15377 1 139 . 1 1 15 15 TYR HB2 H 1 2.684 0.003 . . . . . . 15 Y HB . 15377 1 140 . 1 1 15 15 TYR HB3 H 1 2.684 0.003 . . . . . . 15 Y HB . 15377 1 141 . 1 1 15 15 TYR HD1 H 1 5.829 0.004 . . . . . . 15 Y HD1 . 15377 1 142 . 1 1 15 15 TYR HD2 H 1 5.829 0.004 . . . . . . 15 Y HD2 . 15377 1 143 . 1 1 15 15 TYR HE1 H 1 6.151 0.010 . . . . . . 15 Y HE1 . 15377 1 144 . 1 1 15 15 TYR HE2 H 1 6.151 0.010 . . . . . . 15 Y HE2 . 15377 1 145 . 1 1 15 15 TYR C C 13 174.367 0.026 . . . . . . 15 Y CO . 15377 1 146 . 1 1 15 15 TYR CA C 13 56.674 0.117 . . . . . . 15 Y CA . 15377 1 147 . 1 1 15 15 TYR CB C 13 39.992 0.073 . . . . . . 15 Y CB . 15377 1 148 . 1 1 15 15 TYR N N 15 125.281 0.028 . . . . . . 15 Y N . 15377 1 149 . 1 1 16 16 ASP H H 1 8.559 0.010 . . . . . . 16 D NH . 15377 1 150 . 1 1 16 16 ASP HA H 1 4.672 0.005 . . . . . . 16 D HA . 15377 1 151 . 1 1 16 16 ASP HB2 H 1 2.867 0.005 . . . . . . 16 D HB2 . 15377 1 152 . 1 1 16 16 ASP HB3 H 1 2.471 0.005 . . . . . . 16 D HB3 . 15377 1 153 . 1 1 16 16 ASP C C 13 174.502 0.011 . . . . . . 16 D CO . 15377 1 154 . 1 1 16 16 ASP CA C 13 52.354 0.107 . . . . . . 16 D CA . 15377 1 155 . 1 1 16 16 ASP CB C 13 42.651 0.055 . . . . . . 16 D CB . 15377 1 156 . 1 1 16 16 ASP N N 15 129.733 0.019 . . . . . . 16 D N . 15377 1 157 . 1 1 17 17 GLU H H 1 8.500 0.010 . . . . . . 17 E NH . 15377 1 158 . 1 1 17 17 GLU HA H 1 3.466 0.003 . . . . . . 17 E HA . 15377 1 159 . 1 1 17 17 GLU HB2 H 1 1.946 0.004 . . . . . . 17 E HB2 . 15377 1 160 . 1 1 17 17 GLU HB3 H 1 1.946 0.004 . . . . . . 17 E HB3 . 15377 1 161 . 1 1 17 17 GLU HG2 H 1 2.289 0.008 . . . . . . 17 E HG2 . 15377 1 162 . 1 1 17 17 GLU HG3 H 1 2.289 0.008 . . . . . . 17 E HG3 . 15377 1 163 . 1 1 17 17 GLU C C 13 178.165 0.056 . . . . . . 17 E CO . 15377 1 164 . 1 1 17 17 GLU CA C 13 58.914 0.110 . . . . . . 17 E CA . 15377 1 165 . 1 1 17 17 GLU CB C 13 29.550 0.030 . . . . . . 17 E CB . 15377 1 166 . 1 1 17 17 GLU CG C 13 35.974 0.056 . . . . . . 17 E CG . 15377 1 167 . 1 1 17 17 GLU N N 15 125.373 0.018 . . . . . . 17 E N . 15377 1 168 . 1 1 18 18 ASP H H 1 8.235 0.008 . . . . . . 18 D NH . 15377 1 169 . 1 1 18 18 ASP HA H 1 4.343 0.004 . . . . . . 18 D HA . 15377 1 170 . 1 1 18 18 ASP HB2 H 1 2.707 0.006 . . . . . . 18 D HB2 . 15377 1 171 . 1 1 18 18 ASP HB3 H 1 2.592 0.004 . . . . . . 18 D HB3 . 15377 1 172 . 1 1 18 18 ASP C C 13 177.012 0.008 . . . . . . 18 D CO . 15377 1 173 . 1 1 18 18 ASP CA C 13 57.438 0.012 . . . . . . 18 D CA . 15377 1 174 . 1 1 18 18 ASP CB C 13 40.662 0.085 . . . . . . 18 D CB . 15377 1 175 . 1 1 18 18 ASP N N 15 117.815 0.043 . . . . . . 18 D N . 15377 1 176 . 1 1 19 19 SER H H 1 7.414 0.010 . . . . . . 19 S NH . 15377 1 177 . 1 1 19 19 SER HA H 1 4.510 0.004 . . . . . . 19 S HA . 15377 1 178 . 1 1 19 19 SER HB2 H 1 4.004 0.007 . . . . . . 19 S HB2 . 15377 1 179 . 1 1 19 19 SER HB3 H 1 3.687 0.005 . . . . . . 19 S HB3 . 15377 1 180 . 1 1 19 19 SER C C 13 175.138 0.005 . . . . . . 19 S CO . 15377 1 181 . 1 1 19 19 SER CA C 13 58.038 0.134 . . . . . . 19 S CA . 15377 1 182 . 1 1 19 19 SER CB C 13 64.984 0.103 . . . . . . 19 S CB . 15377 1 183 . 1 1 19 19 SER N N 15 110.364 0.029 . . . . . . 19 S N . 15377 1 184 . 1 1 20 20 GLU H H 1 7.851 0.007 . . . . . . 20 E NH . 15377 1 185 . 1 1 20 20 GLU HA H 1 3.830 0.003 . . . . . . 20 E HA . 15377 1 186 . 1 1 20 20 GLU HB2 H 1 2.209 0.011 . . . . . . 20 E HB2 . 15377 1 187 . 1 1 20 20 GLU HB3 H 1 2.180 0.004 . . . . . . 20 E HB3 . 15377 1 188 . 1 1 20 20 GLU HG2 H 1 2.234 0.002 . . . . . . 20 E HG2 . 15377 1 189 . 1 1 20 20 GLU HG3 H 1 2.174 0.003 . . . . . . 20 E HG3 . 15377 1 190 . 1 1 20 20 GLU C C 13 174.867 0.009 . . . . . . 20 E CO . 15377 1 191 . 1 1 20 20 GLU CA C 13 57.461 0.096 . . . . . . 20 E CA . 15377 1 192 . 1 1 20 20 GLU CB C 13 27.671 0.062 . . . . . . 20 E CB . 15377 1 193 . 1 1 20 20 GLU CG C 13 36.687 0.017 . . . . . . 20 E CG . 15377 1 194 . 1 1 20 20 GLU N N 15 123.978 0.029 . . . . . . 20 E N . 15377 1 195 . 1 1 21 21 THR H H 1 7.098 0.010 . . . . . . 21 T NH . 15377 1 196 . 1 1 21 21 THR HA H 1 4.542 0.004 . . . . . . 21 T HA . 15377 1 197 . 1 1 21 21 THR HB H 1 3.692 0.006 . . . . . . 21 T HB . 15377 1 198 . 1 1 21 21 THR HG21 H 1 0.590 0.006 . . . . . . 21 T HG21 . 15377 1 199 . 1 1 21 21 THR HG22 H 1 0.590 0.006 . . . . . . 21 T HG22 . 15377 1 200 . 1 1 21 21 THR HG23 H 1 0.590 0.006 . . . . . . 21 T HG23 . 15377 1 201 . 1 1 21 21 THR C C 13 170.143 0.008 . . . . . . 21 T CO . 15377 1 202 . 1 1 21 21 THR CA C 13 62.574 0.046 . . . . . . 21 T CA . 15377 1 203 . 1 1 21 21 THR CB C 13 71.770 0.115 . . . . . . 21 T CB . 15377 1 204 . 1 1 21 21 THR CG2 C 13 21.704 0.000 . . . . . . 21 T CG . 15377 1 205 . 1 1 21 21 THR N N 15 112.258 0.021 . . . . . . 21 T N . 15377 1 206 . 1 1 22 22 TYR H H 1 8.973 0.010 . . . . . . 22 Y NH . 15377 1 207 . 1 1 22 22 TYR HA H 1 5.313 0.006 . . . . . . 22 Y HA . 15377 1 208 . 1 1 22 22 TYR HB2 H 1 2.762 0.012 . . . . . . 22 Y HB2 . 15377 1 209 . 1 1 22 22 TYR HB3 H 1 2.727 0.007 . . . . . . 22 Y HB3 . 15377 1 210 . 1 1 22 22 TYR HD1 H 1 6.800 0.005 . . . . . . 22 Y HD1 . 15377 1 211 . 1 1 22 22 TYR HD2 H 1 6.800 0.005 . . . . . . 22 Y HD2 . 15377 1 212 . 1 1 22 22 TYR HE1 H 1 6.335 0.005 . . . . . . 22 Y HE1 . 15377 1 213 . 1 1 22 22 TYR HE2 H 1 6.335 0.005 . . . . . . 22 Y HE2 . 15377 1 214 . 1 1 22 22 TYR C C 13 175.050 0.034 . . . . . . 22 Y CO . 15377 1 215 . 1 1 22 22 TYR CA C 13 57.476 0.116 . . . . . . 22 Y CA . 15377 1 216 . 1 1 22 22 TYR CB C 13 39.427 0.069 . . . . . . 22 Y CB . 15377 1 217 . 1 1 22 22 TYR N N 15 125.053 0.041 . . . . . . 22 Y N . 15377 1 218 . 1 1 23 23 PHE H H 1 9.336 0.009 . . . . . . 23 F NH . 15377 1 219 . 1 1 23 23 PHE HA H 1 6.075 0.007 . . . . . . 23 F HA . 15377 1 220 . 1 1 23 23 PHE HB2 H 1 2.894 0.011 . . . . . . 23 F HB2 . 15377 1 221 . 1 1 23 23 PHE HB3 H 1 2.817 0.007 . . . . . . 23 F HB3 . 15377 1 222 . 1 1 23 23 PHE HD1 H 1 7.051 0.006 . . . . . . 23 F HD1 . 15377 1 223 . 1 1 23 23 PHE HD2 H 1 7.051 0.006 . . . . . . 23 F HD2 . 15377 1 224 . 1 1 23 23 PHE HE1 H 1 7.157 0.009 . . . . . . 23 F HE1 . 15377 1 225 . 1 1 23 23 PHE HE2 H 1 7.157 0.009 . . . . . . 23 F HE2 . 15377 1 226 . 1 1 23 23 PHE C C 13 174.875 0.006 . . . . . . 23 F CO . 15377 1 227 . 1 1 23 23 PHE CA C 13 56.870 0.060 . . . . . . 23 F CA . 15377 1 228 . 1 1 23 23 PHE CB C 13 44.043 0.019 . . . . . . 23 F CB . 15377 1 229 . 1 1 23 23 PHE N N 15 119.053 0.022 . . . . . . 23 F N . 15377 1 230 . 1 1 24 24 TYR H H 1 8.904 0.009 . . . . . . 24 Y NH . 15377 1 231 . 1 1 24 24 TYR HA H 1 4.879 0.009 . . . . . . 24 Y HA . 15377 1 232 . 1 1 24 24 TYR HB2 H 1 1.966 0.007 . . . . . . 24 Y HB2 . 15377 1 233 . 1 1 24 24 TYR HB3 H 1 1.316 0.006 . . . . . . 24 Y HB3 . 15377 1 234 . 1 1 24 24 TYR HD1 H 1 6.677 0.010 . . . . . . 24 Y HD1 . 15377 1 235 . 1 1 24 24 TYR HD2 H 1 6.677 0.010 . . . . . . 24 Y HD2 . 15377 1 236 . 1 1 24 24 TYR HE1 H 1 6.800 0.003 . . . . . . 24 Y HE1 . 15377 1 237 . 1 1 24 24 TYR HE2 H 1 6.800 0.003 . . . . . . 24 Y HE2 . 15377 1 238 . 1 1 24 24 TYR C C 13 171.869 0.000 . . . . . . 24 Y CO . 15377 1 239 . 1 1 24 24 TYR CA C 13 55.887 0.000 . . . . . . 24 Y CA . 15377 1 240 . 1 1 24 24 TYR CB C 13 42.329 0.000 . . . . . . 24 Y CB . 15377 1 241 . 1 1 24 24 TYR N N 15 124.896 0.021 . . . . . . 24 Y N . 15377 1 242 . 1 1 25 25 PRO HA H 1 4.632 0.004 . . . . . . 25 P HA . 15377 1 243 . 1 1 25 25 PRO HB2 H 1 2.067 0.008 . . . . . . 25 P HB2 . 15377 1 244 . 1 1 25 25 PRO HB3 H 1 1.504 0.005 . . . . . . 25 P HB3 . 15377 1 245 . 1 1 25 25 PRO HD2 H 1 3.323 0.002 . . . . . . 25 P HD2 . 15377 1 246 . 1 1 25 25 PRO HD3 H 1 1.996 0.005 . . . . . . 25 P HD3 . 15377 1 247 . 1 1 25 25 PRO HG2 H 1 1.548 0.011 . . . . . . 25 P HG2 . 15377 1 248 . 1 1 25 25 PRO HG3 H 1 1.590 0.012 . . . . . . 25 P HG3 . 15377 1 249 . 1 1 25 25 PRO C C 13 174.868 0.005 . . . . . . 25 P CO . 15377 1 250 . 1 1 25 25 PRO CA C 13 64.093 0.062 . . . . . . 25 P CA . 15377 1 251 . 1 1 25 25 PRO CB C 13 32.153 0.152 . . . . . . 25 P CB . 15377 1 252 . 1 1 25 25 PRO CD C 13 50.460 0.000 . . . . . . 25 P CD . 15377 1 253 . 1 1 25 25 PRO CG C 13 27.130 0.000 . . . . . . 25 P CG . 15377 1 254 . 1 1 26 26 CYS H H 1 8.456 0.009 . . . . . . 26 C NH . 15377 1 255 . 1 1 26 26 CYS HA H 1 4.864 0.008 . . . . . . 26 C HA . 15377 1 256 . 1 1 26 26 CYS HB2 H 1 2.063 0.003 . . . . . . 26 C HB2 . 15377 1 257 . 1 1 26 26 CYS HB3 H 1 1.408 0.008 . . . . . . 26 C HB3 . 15377 1 258 . 1 1 26 26 CYS C C 13 176.816 0.000 . . . . . . 26 C CO . 15377 1 259 . 1 1 26 26 CYS CA C 13 55.025 0.000 . . . . . . 26 C CA . 15377 1 260 . 1 1 26 26 CYS CB C 13 31.237 0.000 . . . . . . 26 C CB . 15377 1 261 . 1 1 26 26 CYS N N 15 125.086 0.032 . . . . . . 26 C N . 15377 1 262 . 1 1 27 27 PRO HA H 1 4.249 0.003 . . . . . . 27 P HA . 15377 1 263 . 1 1 27 27 PRO HB2 H 1 2.292 0.006 . . . . . . 27 P HB2 . 15377 1 264 . 1 1 27 27 PRO HB3 H 1 1.838 0.010 . . . . . . 27 P HB3 . 15377 1 265 . 1 1 27 27 PRO HD2 H 1 3.619 0.005 . . . . . . 27 P HD2 . 15377 1 266 . 1 1 27 27 PRO HD3 H 1 3.619 0.005 . . . . . . 27 P HD3 . 15377 1 267 . 1 1 27 27 PRO HG2 H 1 1.771 0.007 . . . . . . 27 P HG2 . 15377 1 268 . 1 1 27 27 PRO HG3 H 1 1.722 0.009 . . . . . . 27 P HG3 . 15377 1 269 . 1 1 27 27 PRO C C 13 178.090 0.002 . . . . . . 27 P CO . 15377 1 270 . 1 1 27 27 PRO CA C 13 64.708 0.124 . . . . . . 27 P CA . 15377 1 271 . 1 1 27 27 PRO CB C 13 32.421 0.014 . . . . . . 27 P CB . 15377 1 272 . 1 1 27 27 PRO CD C 13 52.615 0.000 . . . . . . 27 P CD . 15377 1 273 . 1 1 27 27 PRO CG C 13 27.312 0.000 . . . . . . 27 P CG . 15377 1 274 . 1 1 28 28 CYS H H 1 9.917 0.007 . . . . . . 28 C NH . 15377 1 275 . 1 1 28 28 CYS HA H 1 4.375 0.003 . . . . . . 28 C HA . 15377 1 276 . 1 1 28 28 CYS HB2 H 1 3.104 0.004 . . . . . . 28 C HB2 . 15377 1 277 . 1 1 28 28 CYS HB3 H 1 2.751 0.005 . . . . . . 28 C HB3 . 15377 1 278 . 1 1 28 28 CYS C C 13 176.877 0.009 . . . . . . 28 C CO . 15377 1 279 . 1 1 28 28 CYS CA C 13 60.434 0.065 . . . . . . 28 C CA . 15377 1 280 . 1 1 28 28 CYS CB C 13 29.573 0.022 . . . . . . 28 C CB . 15377 1 281 . 1 1 28 28 CYS N N 15 124.424 0.022 . . . . . . 28 C N . 15377 1 282 . 1 1 29 29 GLY H H 1 8.086 0.009 . . . . . . 29 G NH . 15377 1 283 . 1 1 29 29 GLY HA2 H 1 4.569 0.006 . . . . . . 29 G HA2 . 15377 1 284 . 1 1 29 29 GLY HA3 H 1 3.557 0.005 . . . . . . 29 G HA3 . 15377 1 285 . 1 1 29 29 GLY C C 13 174.183 0.009 . . . . . . 29 G CO . 15377 1 286 . 1 1 29 29 GLY CA C 13 44.643 0.063 . . . . . . 29 G CA . 15377 1 287 . 1 1 29 29 GLY N N 15 111.603 0.022 . . . . . . 29 G N . 15377 1 288 . 1 1 30 30 ASP H H 1 8.553 0.010 . . . . . . 30 D NH . 15377 1 289 . 1 1 30 30 ASP HA H 1 4.692 0.005 . . . . . . 30 D HA . 15377 1 290 . 1 1 30 30 ASP HB2 H 1 3.502 0.006 . . . . . . 30 D HB2 . 15377 1 291 . 1 1 30 30 ASP HB3 H 1 2.172 0.005 . . . . . . 30 D HB3 . 15377 1 292 . 1 1 30 30 ASP C C 13 173.464 0.008 . . . . . . 30 D CO . 15377 1 293 . 1 1 30 30 ASP CA C 13 52.191 0.043 . . . . . . 30 D CA . 15377 1 294 . 1 1 30 30 ASP CB C 13 41.846 0.024 . . . . . . 30 D CB . 15377 1 295 . 1 1 30 30 ASP N N 15 128.125 0.036 . . . . . . 30 D N . 15377 1 296 . 1 1 31 31 ASN H H 1 9.375 0.011 . . . . . . 31 N NH . 15377 1 297 . 1 1 31 31 ASN HA H 1 5.280 0.005 . . . . . . 31 N HA . 15377 1 298 . 1 1 31 31 ASN HB2 H 1 2.653 0.004 . . . . . . 31 N HB2 . 15377 1 299 . 1 1 31 31 ASN HB3 H 1 2.512 0.005 . . . . . . 31 N HB3 . 15377 1 300 . 1 1 31 31 ASN C C 13 175.930 0.008 . . . . . . 31 N CO . 15377 1 301 . 1 1 31 31 ASN CA C 13 53.120 0.156 . . . . . . 31 N CA . 15377 1 302 . 1 1 31 31 ASN CB C 13 42.874 0.063 . . . . . . 31 N CB . 15377 1 303 . 1 1 31 31 ASN N N 15 117.868 0.022 . . . . . . 31 N N . 15377 1 304 . 1 1 32 32 PHE H H 1 9.406 0.010 . . . . . . 32 F NH . 15377 1 305 . 1 1 32 32 PHE HA H 1 4.471 0.006 . . . . . . 32 F HA . 15377 1 306 . 1 1 32 32 PHE HB2 H 1 2.909 0.011 . . . . . . 32 F HB2 . 15377 1 307 . 1 1 32 32 PHE HB3 H 1 2.807 0.007 . . . . . . 32 F HB3 . 15377 1 308 . 1 1 32 32 PHE HD1 H 1 7.154 0.004 . . . . . . 32 F HD1 . 15377 1 309 . 1 1 32 32 PHE HD2 H 1 7.154 0.004 . . . . . . 32 F HD2 . 15377 1 310 . 1 1 32 32 PHE HE1 H 1 7.176 0.008 . . . . . . 32 F HE1 . 15377 1 311 . 1 1 32 32 PHE HE2 H 1 7.176 0.008 . . . . . . 32 F HE2 . 15377 1 312 . 1 1 32 32 PHE C C 13 176.895 0.006 . . . . . . 32 F CO . 15377 1 313 . 1 1 32 32 PHE CA C 13 58.973 0.089 . . . . . . 32 F CA . 15377 1 314 . 1 1 32 32 PHE CB C 13 40.746 0.065 . . . . . . 32 F CB . 15377 1 315 . 1 1 32 32 PHE N N 15 120.771 0.017 . . . . . . 32 F N . 15377 1 316 . 1 1 33 33 SER H H 1 8.499 0.009 . . . . . . 33 S NH . 15377 1 317 . 1 1 33 33 SER HA H 1 5.935 0.004 . . . . . . 33 S HA . 15377 1 318 . 1 1 33 33 SER HB2 H 1 3.832 0.005 . . . . . . 33 S HB2 . 15377 1 319 . 1 1 33 33 SER HB3 H 1 3.529 0.004 . . . . . . 33 S HB3 . 15377 1 320 . 1 1 33 33 SER C C 13 173.250 0.005 . . . . . . 33 S CO . 15377 1 321 . 1 1 33 33 SER CA C 13 56.904 0.060 . . . . . . 33 S CA . 15377 1 322 . 1 1 33 33 SER CB C 13 67.789 0.013 . . . . . . 33 S CB . 15377 1 323 . 1 1 33 33 SER N N 15 114.024 0.016 . . . . . . 33 S N . 15377 1 324 . 1 1 34 34 ILE H H 1 8.669 0.012 . . . . . . 34 I NH . 15377 1 325 . 1 1 34 34 ILE HA H 1 4.753 0.003 . . . . . . 34 I HA . 15377 1 326 . 1 1 34 34 ILE HB H 1 1.659 0.007 . . . . . . 34 I HB . 15377 1 327 . 1 1 34 34 ILE HD11 H 1 0.399 0.004 . . . . . . 34 I HD11 . 15377 1 328 . 1 1 34 34 ILE HD12 H 1 0.399 0.004 . . . . . . 34 I HD12 . 15377 1 329 . 1 1 34 34 ILE HD13 H 1 0.399 0.004 . . . . . . 34 I HD13 . 15377 1 330 . 1 1 34 34 ILE HG12 H 1 1.811 0.007 . . . . . . 34 I HG12 . 15377 1 331 . 1 1 34 34 ILE HG13 H 1 1.084 0.008 . . . . . . 34 I HG13 . 15377 1 332 . 1 1 34 34 ILE HG21 H 1 0.395 0.008 . . . . . . 34 I HG21 . 15377 1 333 . 1 1 34 34 ILE HG22 H 1 0.395 0.008 . . . . . . 34 I HG22 . 15377 1 334 . 1 1 34 34 ILE HG23 H 1 0.395 0.008 . . . . . . 34 I HG23 . 15377 1 335 . 1 1 34 34 ILE C C 13 173.138 0.016 . . . . . . 34 I CO . 15377 1 336 . 1 1 34 34 ILE CA C 13 60.651 0.076 . . . . . . 34 I CA . 15377 1 337 . 1 1 34 34 ILE CB C 13 41.564 0.051 . . . . . . 34 I CB . 15377 1 338 . 1 1 34 34 ILE CG1 C 13 29.450 0.070 . . . . . . 34 I CG1 . 15377 1 339 . 1 1 34 34 ILE CG2 C 13 15.063 0.000 . . . . . . 34 I CG2 . 15377 1 340 . 1 1 34 34 ILE N N 15 120.690 0.039 . . . . . . 34 I N . 15377 1 341 . 1 1 35 35 THR H H 1 8.934 0.008 . . . . . . 35 T NH . 15377 1 342 . 1 1 35 35 THR HA H 1 4.870 0.008 . . . . . . 35 T HA . 15377 1 343 . 1 1 35 35 THR HB H 1 4.884 0.007 . . . . . . 35 T HB . 15377 1 344 . 1 1 35 35 THR HG21 H 1 1.356 0.004 . . . . . . 35 T HG21 . 15377 1 345 . 1 1 35 35 THR HG22 H 1 1.356 0.004 . . . . . . 35 T HG22 . 15377 1 346 . 1 1 35 35 THR HG23 H 1 1.356 0.004 . . . . . . 35 T HG23 . 15377 1 347 . 1 1 35 35 THR C C 13 174.831 0.004 . . . . . . 35 T CO . 15377 1 348 . 1 1 35 35 THR CA C 13 61.373 0.216 . . . . . . 35 T CA . 15377 1 349 . 1 1 35 35 THR CB C 13 71.106 0.096 . . . . . . 35 T CB . 15377 1 350 . 1 1 35 35 THR CG2 C 13 22.118 0.000 . . . . . . 35 T CG . 15377 1 351 . 1 1 35 35 THR N N 15 118.587 0.032 . . . . . . 35 T N . 15377 1 352 . 1 1 36 36 LYS H H 1 8.660 0.012 . . . . . . 36 K NH . 15377 1 353 . 1 1 36 36 LYS HA H 1 3.979 0.004 . . . . . . 36 K HA . 15377 1 354 . 1 1 36 36 LYS HB2 H 1 2.086 0.006 . . . . . . 36 K HB2 . 15377 1 355 . 1 1 36 36 LYS HB3 H 1 1.936 0.011 . . . . . . 36 K HB3 . 15377 1 356 . 1 1 36 36 LYS HD2 H 1 1.818 0.006 . . . . . . 36 K HD2 . 15377 1 357 . 1 1 36 36 LYS HD3 H 1 1.700 0.006 . . . . . . 36 K HD3 . 15377 1 358 . 1 1 36 36 LYS HE2 H 1 2.978 0.005 . . . . . . 36 K HE2 . 15377 1 359 . 1 1 36 36 LYS HE3 H 1 2.978 0.005 . . . . . . 36 K HE3 . 15377 1 360 . 1 1 36 36 LYS HG2 H 1 1.538 0.013 . . . . . . 36 K HG2 . 15377 1 361 . 1 1 36 36 LYS HG3 H 1 1.482 0.007 . . . . . . 36 K HG3 . 15377 1 362 . 1 1 36 36 LYS C C 13 177.487 0.005 . . . . . . 36 K CO . 15377 1 363 . 1 1 36 36 LYS CA C 13 60.752 0.053 . . . . . . 36 K CA . 15377 1 364 . 1 1 36 36 LYS CB C 13 33.332 0.043 . . . . . . 36 K CB . 15377 1 365 . 1 1 36 36 LYS CD C 13 29.564 0.098 . . . . . . 36 K CD . 15377 1 366 . 1 1 36 36 LYS CE C 13 41.721 0.110 . . . . . . 36 K CE . 15377 1 367 . 1 1 36 36 LYS CG C 13 24.802 0.060 . . . . . . 36 K CG . 15377 1 368 . 1 1 36 36 LYS N N 15 121.028 0.042 . . . . . . 36 K N . 15377 1 369 . 1 1 37 37 GLU H H 1 8.367 0.009 . . . . . . 37 E NH . 15377 1 370 . 1 1 37 37 GLU HA H 1 3.997 0.005 . . . . . . 37 E HA . 15377 1 371 . 1 1 37 37 GLU HB2 H 1 1.994 0.009 . . . . . . 37 E HB2 . 15377 1 372 . 1 1 37 37 GLU HB3 H 1 1.907 0.007 . . . . . . 37 E HB3 . 15377 1 373 . 1 1 37 37 GLU HG2 H 1 2.269 0.007 . . . . . . 37 E HG2 . 15377 1 374 . 1 1 37 37 GLU HG3 H 1 2.181 0.010 . . . . . . 37 E HG3 . 15377 1 375 . 1 1 37 37 GLU C C 13 177.992 0.001 . . . . . . 37 E CO . 15377 1 376 . 1 1 37 37 GLU CA C 13 59.513 0.049 . . . . . . 37 E CA . 15377 1 377 . 1 1 37 37 GLU CB C 13 29.663 0.047 . . . . . . 37 E CB . 15377 1 378 . 1 1 37 37 GLU CG C 13 36.308 0.107 . . . . . . 37 E CG . 15377 1 379 . 1 1 37 37 GLU N N 15 117.780 0.025 . . . . . . 37 E N . 15377 1 380 . 1 1 38 38 ASP H H 1 7.943 0.011 . . . . . . 38 D NH . 15377 1 381 . 1 1 38 38 ASP HA H 1 4.352 0.004 . . . . . . 38 D HA . 15377 1 382 . 1 1 38 38 ASP HB2 H 1 3.065 0.007 . . . . . . 38 D HB2 . 15377 1 383 . 1 1 38 38 ASP HB3 H 1 2.324 0.009 . . . . . . 38 D HB3 . 15377 1 384 . 1 1 38 38 ASP C C 13 178.821 0.009 . . . . . . 38 D CO . 15377 1 385 . 1 1 38 38 ASP CA C 13 57.804 0.066 . . . . . . 38 D CA . 15377 1 386 . 1 1 38 38 ASP CB C 13 39.342 0.023 . . . . . . 38 D CB . 15377 1 387 . 1 1 38 38 ASP N N 15 120.207 0.027 . . . . . . 38 D N . 15377 1 388 . 1 1 39 39 LEU H H 1 7.627 0.008 . . . . . . 39 L NH . 15377 1 389 . 1 1 39 39 LEU HA H 1 3.925 0.006 . . . . . . 39 L HA . 15377 1 390 . 1 1 39 39 LEU HB2 H 1 1.315 0.007 . . . . . . 39 L HB2 . 15377 1 391 . 1 1 39 39 LEU HB3 H 1 0.247 0.010 . . . . . . 39 L HB3 . 15377 1 392 . 1 1 39 39 LEU HD11 H 1 -0.400 0.012 . . . . . . 39 L HD11 . 15377 1 393 . 1 1 39 39 LEU HD12 H 1 -0.400 0.012 . . . . . . 39 L HD12 . 15377 1 394 . 1 1 39 39 LEU HD13 H 1 -0.400 0.012 . . . . . . 39 L HD13 . 15377 1 395 . 1 1 39 39 LEU HD21 H 1 -0.581 0.009 . . . . . . 39 L HD21 . 15377 1 396 . 1 1 39 39 LEU HD22 H 1 -0.581 0.009 . . . . . . 39 L HD22 . 15377 1 397 . 1 1 39 39 LEU HD23 H 1 -0.581 0.009 . . . . . . 39 L HD23 . 15377 1 398 . 1 1 39 39 LEU HG H 1 1.012 0.011 . . . . . . 39 L HG . 15377 1 399 . 1 1 39 39 LEU C C 13 181.325 0.007 . . . . . . 39 L CO . 15377 1 400 . 1 1 39 39 LEU CA C 13 57.781 0.065 . . . . . . 39 L CA . 15377 1 401 . 1 1 39 39 LEU CB C 13 40.911 0.062 . . . . . . 39 L CB . 15377 1 402 . 1 1 39 39 LEU CD1 C 13 22.225 0.060 . . . . . . 39 L CD . 15377 1 403 . 1 1 39 39 LEU CD2 C 13 22.225 0.060 . . . . . . 39 L CD . 15377 1 404 . 1 1 39 39 LEU CG C 13 26.667 0.017 . . . . . . 39 L CG . 15377 1 405 . 1 1 39 39 LEU N N 15 121.874 0.011 . . . . . . 39 L N . 15377 1 406 . 1 1 40 40 GLU H H 1 8.428 0.008 . . . . . . 40 E NH . 15377 1 407 . 1 1 40 40 GLU HA H 1 4.011 0.006 . . . . . . 40 E HA . 15377 1 408 . 1 1 40 40 GLU HB2 H 1 2.261 0.005 . . . . . . 40 E HB2 . 15377 1 409 . 1 1 40 40 GLU HB3 H 1 1.935 0.004 . . . . . . 40 E HB3 . 15377 1 410 . 1 1 40 40 GLU HG2 H 1 2.583 0.005 . . . . . . 40 E HG2 . 15377 1 411 . 1 1 40 40 GLU HG3 H 1 2.248 0.006 . . . . . . 40 E HG3 . 15377 1 412 . 1 1 40 40 GLU C C 13 177.843 0.003 . . . . . . 40 E CO . 15377 1 413 . 1 1 40 40 GLU CA C 13 58.986 0.078 . . . . . . 40 E CA . 15377 1 414 . 1 1 40 40 GLU CB C 13 29.136 0.097 . . . . . . 40 E CB . 15377 1 415 . 1 1 40 40 GLU CG C 13 36.781 0.076 . . . . . . 40 E CG . 15377 1 416 . 1 1 40 40 GLU N N 15 119.906 0.021 . . . . . . 40 E N . 15377 1 417 . 1 1 41 41 ASN H H 1 7.682 0.009 . . . . . . 41 N NH . 15377 1 418 . 1 1 41 41 ASN HA H 1 4.824 0.006 . . . . . . 41 N HA . 15377 1 419 . 1 1 41 41 ASN HB2 H 1 3.053 0.003 . . . . . . 41 N HB2 . 15377 1 420 . 1 1 41 41 ASN HB3 H 1 2.896 0.006 . . . . . . 41 N HB3 . 15377 1 421 . 1 1 41 41 ASN C C 13 175.915 0.007 . . . . . . 41 N CO . 15377 1 422 . 1 1 41 41 ASN CA C 13 53.099 0.063 . . . . . . 41 N CA . 15377 1 423 . 1 1 41 41 ASN CB C 13 39.463 0.028 . . . . . . 41 N CB . 15377 1 424 . 1 1 41 41 ASN N N 15 115.760 0.008 . . . . . . 41 N N . 15377 1 425 . 1 1 42 42 GLY H H 1 8.028 0.010 . . . . . . 42 G NH . 15377 1 426 . 1 1 42 42 GLY HA2 H 1 4.064 0.007 . . . . . . 42 G HA2 . 15377 1 427 . 1 1 42 42 GLY HA3 H 1 3.926 0.005 . . . . . . 42 G HA3 . 15377 1 428 . 1 1 42 42 GLY C C 13 174.972 0.005 . . . . . . 42 G CO . 15377 1 429 . 1 1 42 42 GLY CA C 13 46.194 0.046 . . . . . . 42 G CA . 15377 1 430 . 1 1 42 42 GLY N N 15 109.295 0.029 . . . . . . 42 G N . 15377 1 431 . 1 1 43 43 GLU H H 1 8.158 0.009 . . . . . . 43 E NH . 15377 1 432 . 1 1 43 43 GLU HA H 1 4.298 0.010 . . . . . . 43 E HA . 15377 1 433 . 1 1 43 43 GLU HB2 H 1 2.117 0.007 . . . . . . 43 E HB2 . 15377 1 434 . 1 1 43 43 GLU HB3 H 1 1.658 0.006 . . . . . . 43 E HB3 . 15377 1 435 . 1 1 43 43 GLU HG2 H 1 2.290 0.008 . . . . . . 43 E HG2 . 15377 1 436 . 1 1 43 43 GLU HG3 H 1 2.290 0.008 . . . . . . 43 E HG3 . 15377 1 437 . 1 1 43 43 GLU C C 13 176.871 0.017 . . . . . . 43 E CO . 15377 1 438 . 1 1 43 43 GLU CA C 13 56.308 0.081 . . . . . . 43 E CA . 15377 1 439 . 1 1 43 43 GLU CB C 13 30.088 0.043 . . . . . . 43 E CB . 15377 1 440 . 1 1 43 43 GLU CG C 13 35.645 0.087 . . . . . . 43 E CG . 15377 1 441 . 1 1 43 43 GLU N N 15 120.643 0.051 . . . . . . 43 E N . 15377 1 442 . 1 1 44 44 ASP H H 1 8.470 0.009 . . . . . . 44 D NH . 15377 1 443 . 1 1 44 44 ASP HA H 1 4.563 0.006 . . . . . . 44 D HA . 15377 1 444 . 1 1 44 44 ASP HB2 H 1 3.317 0.007 . . . . . . 44 D HB2 . 15377 1 445 . 1 1 44 44 ASP HB3 H 1 2.352 0.005 . . . . . . 44 D HB3 . 15377 1 446 . 1 1 44 44 ASP C C 13 173.907 0.016 . . . . . . 44 D CO . 15377 1 447 . 1 1 44 44 ASP CA C 13 53.229 0.073 . . . . . . 44 D CA . 15377 1 448 . 1 1 44 44 ASP CB C 13 41.617 0.023 . . . . . . 44 D CB . 15377 1 449 . 1 1 44 44 ASP N N 15 119.530 0.049 . . . . . . 44 D N . 15377 1 450 . 1 1 45 45 VAL H H 1 7.331 0.010 . . . . . . 45 V NH . 15377 1 451 . 1 1 45 45 VAL HA H 1 4.911 0.007 . . . . . . 45 V HA . 15377 1 452 . 1 1 45 45 VAL HB H 1 2.022 0.007 . . . . . . 45 V HB . 15377 1 453 . 1 1 45 45 VAL HG11 H 1 1.047 0.007 . . . . . . 45 V HG11 . 15377 1 454 . 1 1 45 45 VAL HG12 H 1 1.047 0.007 . . . . . . 45 V HG12 . 15377 1 455 . 1 1 45 45 VAL HG13 H 1 1.047 0.007 . . . . . . 45 V HG13 . 15377 1 456 . 1 1 45 45 VAL HG21 H 1 0.958 0.006 . . . . . . 45 V HG21 . 15377 1 457 . 1 1 45 45 VAL HG22 H 1 0.958 0.006 . . . . . . 45 V HG22 . 15377 1 458 . 1 1 45 45 VAL HG23 H 1 0.958 0.006 . . . . . . 45 V HG23 . 15377 1 459 . 1 1 45 45 VAL C C 13 174.920 0.006 . . . . . . 45 V CO . 15377 1 460 . 1 1 45 45 VAL CA C 13 61.265 0.145 . . . . . . 45 V CA . 15377 1 461 . 1 1 45 45 VAL CB C 13 34.356 0.036 . . . . . . 45 V CB . 15377 1 462 . 1 1 45 45 VAL CG1 C 13 21.545 0.000 . . . . . . 45 V CG1 . 15377 1 463 . 1 1 45 45 VAL CG2 C 13 22.221 0.043 . . . . . . 45 V CG2 . 15377 1 464 . 1 1 45 45 VAL N N 15 116.507 0.025 . . . . . . 45 V N . 15377 1 465 . 1 1 46 46 ALA H H 1 8.927 0.009 . . . . . . 46 A NH . 15377 1 466 . 1 1 46 46 ALA HA H 1 4.973 0.006 . . . . . . 46 A HA . 15377 1 467 . 1 1 46 46 ALA HB1 H 1 1.177 0.005 . . . . . . 46 A HB1 . 15377 1 468 . 1 1 46 46 ALA HB2 H 1 1.177 0.005 . . . . . . 46 A HB2 . 15377 1 469 . 1 1 46 46 ALA HB3 H 1 1.177 0.005 . . . . . . 46 A HB3 . 15377 1 470 . 1 1 46 46 ALA C C 13 175.573 0.012 . . . . . . 46 A CO . 15377 1 471 . 1 1 46 46 ALA CA C 13 50.317 0.048 . . . . . . 46 A CA . 15377 1 472 . 1 1 46 46 ALA CB C 13 21.068 0.029 . . . . . . 46 A CB . 15377 1 473 . 1 1 46 46 ALA N N 15 129.137 0.052 . . . . . . 46 A N . 15377 1 474 . 1 1 47 47 THR H H 1 8.045 0.009 . . . . . . 47 T NH . 15377 1 475 . 1 1 47 47 THR HA H 1 5.311 0.006 . . . . . . 47 T HA . 15377 1 476 . 1 1 47 47 THR HB H 1 4.119 0.009 . . . . . . 47 T HB . 15377 1 477 . 1 1 47 47 THR HG21 H 1 1.180 0.003 . . . . . . 47 T HG21 . 15377 1 478 . 1 1 47 47 THR HG22 H 1 1.180 0.003 . . . . . . 47 T HG22 . 15377 1 479 . 1 1 47 47 THR HG23 H 1 1.180 0.003 . . . . . . 47 T HG23 . 15377 1 480 . 1 1 47 47 THR C C 13 174.128 0.016 . . . . . . 47 T CO . 15377 1 481 . 1 1 47 47 THR CA C 13 61.303 0.161 . . . . . . 47 T CA . 15377 1 482 . 1 1 47 47 THR CB C 13 71.051 0.096 . . . . . . 47 T CB . 15377 1 483 . 1 1 47 47 THR CG2 C 13 21.389 0.000 . . . . . . 47 T CG . 15377 1 484 . 1 1 47 47 THR N N 15 114.564 0.024 . . . . . . 47 T N . 15377 1 485 . 1 1 48 48 CYS H H 1 9.113 0.009 . . . . . . 48 C NH . 15377 1 486 . 1 1 48 48 CYS HA H 1 5.170 0.006 . . . . . . 48 C HA . 15377 1 487 . 1 1 48 48 CYS HB2 H 1 2.878 0.005 . . . . . . 48 C HB2 . 15377 1 488 . 1 1 48 48 CYS HB3 H 1 2.184 0.008 . . . . . . 48 C HB3 . 15377 1 489 . 1 1 48 48 CYS C C 13 175.966 0.000 . . . . . . 48 C CO . 15377 1 490 . 1 1 48 48 CYS CA C 13 55.832 0.000 . . . . . . 48 C CA . 15377 1 491 . 1 1 48 48 CYS CB C 13 31.446 0.000 . . . . . . 48 C CB . 15377 1 492 . 1 1 48 48 CYS N N 15 131.497 0.019 . . . . . . 48 C N . 15377 1 493 . 1 1 49 49 PRO HA H 1 4.451 0.004 . . . . . . 49 P HA . 15377 1 494 . 1 1 49 49 PRO HB2 H 1 2.281 0.005 . . . . . . 49 P HB2 . 15377 1 495 . 1 1 49 49 PRO HB3 H 1 1.993 0.005 . . . . . . 49 P HB3 . 15377 1 496 . 1 1 49 49 PRO HD2 H 1 4.318 0.006 . . . . . . 49 P HD2 . 15377 1 497 . 1 1 49 49 PRO HD3 H 1 4.144 0.006 . . . . . . 49 P HD3 . 15377 1 498 . 1 1 49 49 PRO HG2 H 1 2.168 0.005 . . . . . . 49 P HG2 . 15377 1 499 . 1 1 49 49 PRO HG3 H 1 2.068 0.008 . . . . . . 49 P HG3 . 15377 1 500 . 1 1 49 49 PRO C C 13 177.961 0.001 . . . . . . 49 P CO . 15377 1 501 . 1 1 49 49 PRO CA C 13 64.042 0.112 . . . . . . 49 P CA . 15377 1 502 . 1 1 49 49 PRO CB C 13 32.317 0.182 . . . . . . 49 P CB . 15377 1 503 . 1 1 49 49 PRO CD C 13 52.359 0.000 . . . . . . 49 P CD . 15377 1 504 . 1 1 49 49 PRO CG C 13 26.334 0.000 . . . . . . 49 P CG . 15377 1 505 . 1 1 50 50 SER H H 1 9.395 0.010 . . . . . . 50 S NH . 15377 1 506 . 1 1 50 50 SER HA H 1 4.468 0.003 . . . . . . 50 S HA . 15377 1 507 . 1 1 50 50 SER HB2 H 1 3.778 0.006 . . . . . . 50 S HB2 . 15377 1 508 . 1 1 50 50 SER HB3 H 1 3.684 0.007 . . . . . . 50 S HB3 . 15377 1 509 . 1 1 50 50 SER C C 13 174.431 0.002 . . . . . . 50 S CO . 15377 1 510 . 1 1 50 50 SER CA C 13 61.417 0.134 . . . . . . 50 S CA . 15377 1 511 . 1 1 50 50 SER CB C 13 64.428 0.136 . . . . . . 50 S CB . 15377 1 512 . 1 1 50 50 SER N N 15 118.883 0.038 . . . . . . 50 S N . 15377 1 513 . 1 1 51 51 CYS H H 1 8.635 0.010 . . . . . . 51 C NH . 15377 1 514 . 1 1 51 51 CYS HA H 1 4.972 0.003 . . . . . . 51 C HA . 15377 1 515 . 1 1 51 51 CYS HB2 H 1 2.977 0.004 . . . . . . 51 C HB2 . 15377 1 516 . 1 1 51 51 CYS HB3 H 1 2.498 0.004 . . . . . . 51 C HB3 . 15377 1 517 . 1 1 51 51 CYS C C 13 176.030 0.010 . . . . . . 51 C CO . 15377 1 518 . 1 1 51 51 CYS CA C 13 59.013 0.107 . . . . . . 51 C CA . 15377 1 519 . 1 1 51 51 CYS CB C 13 31.478 0.054 . . . . . . 51 C CB . 15377 1 520 . 1 1 51 51 CYS N N 15 124.460 0.017 . . . . . . 51 C N . 15377 1 521 . 1 1 52 52 SER H H 1 7.714 0.008 . . . . . . 52 S NH . 15377 1 522 . 1 1 52 52 SER HA H 1 4.347 0.006 . . . . . . 52 S HA . 15377 1 523 . 1 1 52 52 SER HB2 H 1 4.128 0.006 . . . . . . 52 S HB2 . 15377 1 524 . 1 1 52 52 SER HB3 H 1 3.997 0.004 . . . . . . 52 S HB3 . 15377 1 525 . 1 1 52 52 SER C C 13 174.541 0.003 . . . . . . 52 S CO . 15377 1 526 . 1 1 52 52 SER CA C 13 60.217 0.134 . . . . . . 52 S CA . 15377 1 527 . 1 1 52 52 SER CB C 13 62.691 0.237 . . . . . . 52 S CB . 15377 1 528 . 1 1 52 52 SER N N 15 113.102 0.018 . . . . . . 52 S N . 15377 1 529 . 1 1 53 53 LEU H H 1 8.746 0.009 . . . . . . 53 L NH . 15377 1 530 . 1 1 53 53 LEU HA H 1 4.424 0.004 . . . . . . 53 L HA . 15377 1 531 . 1 1 53 53 LEU HB2 H 1 2.104 0.012 . . . . . . 53 L HB2 . 15377 1 532 . 1 1 53 53 LEU HB3 H 1 1.347 0.006 . . . . . . 53 L HB3 . 15377 1 533 . 1 1 53 53 LEU HD11 H 1 0.640 0.006 . . . . . . 53 L HD11 . 15377 1 534 . 1 1 53 53 LEU HD12 H 1 0.640 0.006 . . . . . . 53 L HD12 . 15377 1 535 . 1 1 53 53 LEU HD13 H 1 0.640 0.006 . . . . . . 53 L HD13 . 15377 1 536 . 1 1 53 53 LEU HD21 H 1 0.910 0.006 . . . . . . 53 L HD21 . 15377 1 537 . 1 1 53 53 LEU HD22 H 1 0.910 0.006 . . . . . . 53 L HD22 . 15377 1 538 . 1 1 53 53 LEU HD23 H 1 0.910 0.006 . . . . . . 53 L HD23 . 15377 1 539 . 1 1 53 53 LEU HG H 1 2.087 0.001 . . . . . . 53 L HG . 15377 1 540 . 1 1 53 53 LEU C C 13 176.008 0.009 . . . . . . 53 L CO . 15377 1 541 . 1 1 53 53 LEU CA C 13 56.873 0.128 . . . . . . 53 L CA . 15377 1 542 . 1 1 53 53 LEU CB C 13 43.563 0.067 . . . . . . 53 L CB . 15377 1 543 . 1 1 53 53 LEU CD1 C 13 25.169 0.037 . . . . . . 53 L CD1 . 15377 1 544 . 1 1 53 53 LEU CD2 C 13 22.970 0.110 . . . . . . 53 L CD2 . 15377 1 545 . 1 1 53 53 LEU CG C 13 27.285 0.069 . . . . . . 53 L CG . 15377 1 546 . 1 1 53 53 LEU N N 15 125.504 0.063 . . . . . . 53 L N . 15377 1 547 . 1 1 54 54 ILE H H 1 7.947 0.010 . . . . . . 54 I NH . 15377 1 548 . 1 1 54 54 ILE HA H 1 5.524 0.009 . . . . . . 54 I HA . 15377 1 549 . 1 1 54 54 ILE HB H 1 1.869 0.005 . . . . . . 54 I HB . 15377 1 550 . 1 1 54 54 ILE HD11 H 1 0.643 0.006 . . . . . . 54 I HD11 . 15377 1 551 . 1 1 54 54 ILE HD12 H 1 0.643 0.006 . . . . . . 54 I HD12 . 15377 1 552 . 1 1 54 54 ILE HD13 H 1 0.643 0.006 . . . . . . 54 I HD13 . 15377 1 553 . 1 1 54 54 ILE HG12 H 1 1.639 0.005 . . . . . . 54 I HG12 . 15377 1 554 . 1 1 54 54 ILE HG13 H 1 1.137 0.007 . . . . . . 54 I HG13 . 15377 1 555 . 1 1 54 54 ILE HG21 H 1 1.005 0.007 . . . . . . 54 I HG21 . 15377 1 556 . 1 1 54 54 ILE HG22 H 1 1.005 0.007 . . . . . . 54 I HG22 . 15377 1 557 . 1 1 54 54 ILE HG23 H 1 1.005 0.007 . . . . . . 54 I HG23 . 15377 1 558 . 1 1 54 54 ILE C C 13 175.410 0.014 . . . . . . 54 I CO . 15377 1 559 . 1 1 54 54 ILE CA C 13 59.800 0.108 . . . . . . 54 I CA . 15377 1 560 . 1 1 54 54 ILE CB C 13 42.663 0.125 . . . . . . 54 I CB . 15377 1 561 . 1 1 54 54 ILE CD1 C 13 14.348 0.000 . . . . . . 54 I CD . 15377 1 562 . 1 1 54 54 ILE CG1 C 13 26.133 0.029 . . . . . . 54 I CG1 . 15377 1 563 . 1 1 54 54 ILE CG2 C 13 19.332 0.000 . . . . . . 54 I CG2 . 15377 1 564 . 1 1 54 54 ILE N N 15 113.094 0.018 . . . . . . 54 I N . 15377 1 565 . 1 1 55 55 ILE H H 1 8.579 0.010 . . . . . . 55 I NH . 15377 1 566 . 1 1 55 55 ILE HA H 1 4.873 0.006 . . . . . . 55 I HA . 15377 1 567 . 1 1 55 55 ILE HB H 1 1.237 0.008 . . . . . . 55 I HB . 15377 1 568 . 1 1 55 55 ILE HD11 H 1 0.095 0.006 . . . . . . 55 I HD11 . 15377 1 569 . 1 1 55 55 ILE HD12 H 1 0.095 0.006 . . . . . . 55 I HD12 . 15377 1 570 . 1 1 55 55 ILE HD13 H 1 0.095 0.006 . . . . . . 55 I HD13 . 15377 1 571 . 1 1 55 55 ILE HG12 H 1 0.958 0.011 . . . . . . 55 I HG12 . 15377 1 572 . 1 1 55 55 ILE HG13 H 1 0.112 0.009 . . . . . . 55 I HG13 . 15377 1 573 . 1 1 55 55 ILE HG21 H 1 0.183 0.007 . . . . . . 55 I HG21 . 15377 1 574 . 1 1 55 55 ILE HG22 H 1 0.183 0.007 . . . . . . 55 I HG22 . 15377 1 575 . 1 1 55 55 ILE HG23 H 1 0.183 0.007 . . . . . . 55 I HG23 . 15377 1 576 . 1 1 55 55 ILE C C 13 173.426 0.005 . . . . . . 55 I CO . 15377 1 577 . 1 1 55 55 ILE CA C 13 59.447 0.093 . . . . . . 55 I CA . 15377 1 578 . 1 1 55 55 ILE CB C 13 41.220 0.081 . . . . . . 55 I CB . 15377 1 579 . 1 1 55 55 ILE CD1 C 13 14.707 0.000 . . . . . . 55 I CD . 15377 1 580 . 1 1 55 55 ILE CG1 C 13 25.367 0.034 . . . . . . 55 I CG1 . 15377 1 581 . 1 1 55 55 ILE CG2 C 13 19.117 0.000 . . . . . . 55 I CG2 . 15377 1 582 . 1 1 55 55 ILE N N 15 115.361 0.022 . . . . . . 55 I N . 15377 1 583 . 1 1 56 56 LYS H H 1 7.796 0.008 . . . . . . 56 K NH . 15377 1 584 . 1 1 56 56 LYS HA H 1 4.517 0.004 . . . . . . 56 K HA . 15377 1 585 . 1 1 56 56 LYS HB2 H 1 1.080 0.010 . . . . . . 56 K HB2 . 15377 1 586 . 1 1 56 56 LYS HB3 H 1 0.133 0.010 . . . . . . 56 K HB3 . 15377 1 587 . 1 1 56 56 LYS HD2 H 1 1.232 0.012 . . . . . . 56 K HD2 . 15377 1 588 . 1 1 56 56 LYS HD3 H 1 1.186 0.009 . . . . . . 56 K HD3 . 15377 1 589 . 1 1 56 56 LYS HE2 H 1 2.577 0.004 . . . . . . 56 K HE2 . 15377 1 590 . 1 1 56 56 LYS HE3 H 1 2.577 0.004 . . . . . . 56 K HE3 . 15377 1 591 . 1 1 56 56 LYS HG2 H 1 0.898 0.008 . . . . . . 56 K HG2 . 15377 1 592 . 1 1 56 56 LYS HG3 H 1 0.898 0.008 . . . . . . 56 K HG3 . 15377 1 593 . 1 1 56 56 LYS C C 13 174.404 0.009 . . . . . . 56 K CO . 15377 1 594 . 1 1 56 56 LYS CA C 13 54.179 0.110 . . . . . . 56 K CA . 15377 1 595 . 1 1 56 56 LYS CB C 13 33.334 0.065 . . . . . . 56 K CB . 15377 1 596 . 1 1 56 56 LYS CD C 13 28.681 0.091 . . . . . . 56 K CD . 15377 1 597 . 1 1 56 56 LYS CE C 13 42.181 0.000 . . . . . . 56 K CE . 15377 1 598 . 1 1 56 56 LYS CG C 13 24.923 0.000 . . . . . . 56 K CG . 15377 1 599 . 1 1 56 56 LYS N N 15 123.840 0.017 . . . . . . 56 K N . 15377 1 600 . 1 1 57 57 VAL H H 1 8.770 0.009 . . . . . . 57 V NH . 15377 1 601 . 1 1 57 57 VAL HA H 1 4.355 0.006 . . . . . . 57 V HA . 15377 1 602 . 1 1 57 57 VAL HB H 1 1.492 0.006 . . . . . . 57 V HB . 15377 1 603 . 1 1 57 57 VAL HG11 H 1 0.510 0.005 . . . . . . 57 V HG11 . 15377 1 604 . 1 1 57 57 VAL HG12 H 1 0.510 0.005 . . . . . . 57 V HG12 . 15377 1 605 . 1 1 57 57 VAL HG13 H 1 0.510 0.005 . . . . . . 57 V HG13 . 15377 1 606 . 1 1 57 57 VAL HG21 H 1 0.250 0.006 . . . . . . 57 V HG21 . 15377 1 607 . 1 1 57 57 VAL HG22 H 1 0.250 0.006 . . . . . . 57 V HG22 . 15377 1 608 . 1 1 57 57 VAL HG23 H 1 0.250 0.006 . . . . . . 57 V HG23 . 15377 1 609 . 1 1 57 57 VAL C C 13 175.112 0.007 . . . . . . 57 V CO . 15377 1 610 . 1 1 57 57 VAL CA C 13 61.259 0.129 . . . . . . 57 V CA . 15377 1 611 . 1 1 57 57 VAL CB C 13 32.203 0.011 . . . . . . 57 V CB . 15377 1 612 . 1 1 57 57 VAL CG1 C 13 22.210 0.028 . . . . . . 57 V CG1 . 15377 1 613 . 1 1 57 57 VAL N N 15 127.133 0.024 . . . . . . 57 V N . 15377 1 614 . 1 1 58 58 ILE H H 1 8.477 0.008 . . . . . . 58 I NH . 15377 1 615 . 1 1 58 58 ILE HA H 1 4.068 0.007 . . . . . . 58 I HA . 15377 1 616 . 1 1 58 58 ILE HB H 1 1.545 0.006 . . . . . . 58 I HB . 15377 1 617 . 1 1 58 58 ILE HD11 H 1 0.523 0.006 . . . . . . 58 I HD11 . 15377 1 618 . 1 1 58 58 ILE HD12 H 1 0.523 0.006 . . . . . . 58 I HD12 . 15377 1 619 . 1 1 58 58 ILE HD13 H 1 0.523 0.006 . . . . . . 58 I HD13 . 15377 1 620 . 1 1 58 58 ILE HG12 H 1 1.151 0.007 . . . . . . 58 I HG12 . 15377 1 621 . 1 1 58 58 ILE HG13 H 1 0.938 0.010 . . . . . . 58 I HG13 . 15377 1 622 . 1 1 58 58 ILE HG21 H 1 0.771 0.007 . . . . . . 58 I HG21 . 15377 1 623 . 1 1 58 58 ILE HG22 H 1 0.771 0.007 . . . . . . 58 I HG22 . 15377 1 624 . 1 1 58 58 ILE HG23 H 1 0.771 0.007 . . . . . . 58 I HG23 . 15377 1 625 . 1 1 58 58 ILE C C 13 174.505 1.239 . . . . . . 58 I CO . 15377 1 626 . 1 1 58 58 ILE CA C 13 59.773 0.080 . . . . . . 58 I CA . 15377 1 627 . 1 1 58 58 ILE CB C 13 37.482 0.058 . . . . . . 58 I CB . 15377 1 628 . 1 1 58 58 ILE CD1 C 13 11.538 0.000 . . . . . . 58 I CD . 15377 1 629 . 1 1 58 58 ILE CG1 C 13 26.005 0.062 . . . . . . 58 I CG1 . 15377 1 630 . 1 1 58 58 ILE CG2 C 13 17.072 0.000 . . . . . . 58 I CG2 . 15377 1 631 . 1 1 58 58 ILE N N 15 128.460 0.019 . . . . . . 58 I N . 15377 1 632 . 1 1 59 59 TYR H H 1 7.902 0.009 . . . . . . 59 Y NH . 15377 1 633 . 1 1 59 59 TYR HA H 1 4.748 0.006 . . . . . . 59 Y HA . 15377 1 634 . 1 1 59 59 TYR HB2 H 1 2.728 0.010 . . . . . . 59 Y HB2 . 15377 1 635 . 1 1 59 59 TYR HB3 H 1 2.702 0.008 . . . . . . 59 Y HB3 . 15377 1 636 . 1 1 59 59 TYR HD1 H 1 6.572 0.007 . . . . . . 59 Y HD1 . 15377 1 637 . 1 1 59 59 TYR HD2 H 1 6.572 0.007 . . . . . . 59 Y HD2 . 15377 1 638 . 1 1 59 59 TYR HE1 H 1 6.544 0.006 . . . . . . 59 Y HE1 . 15377 1 639 . 1 1 59 59 TYR HE2 H 1 6.544 0.006 . . . . . . 59 Y HE2 . 15377 1 640 . 1 1 59 59 TYR C C 13 172.355 0.012 . . . . . . 59 Y CO . 15377 1 641 . 1 1 59 59 TYR CA C 13 55.812 0.088 . . . . . . 59 Y CA . 15377 1 642 . 1 1 59 59 TYR CB C 13 39.386 0.073 . . . . . . 59 Y CB . 15377 1 643 . 1 1 59 59 TYR N N 15 125.111 0.017 . . . . . . 59 Y N . 15377 1 644 . 1 1 60 60 ASP H H 1 8.699 0.010 . . . . . . 60 D NH . 15377 1 645 . 1 1 60 60 ASP HA H 1 4.559 0.004 . . . . . . 60 D HA . 15377 1 646 . 1 1 60 60 ASP HB2 H 1 2.826 0.006 . . . . . . 60 D HB2 . 15377 1 647 . 1 1 60 60 ASP HB3 H 1 2.492 0.006 . . . . . . 60 D HB3 . 15377 1 648 . 1 1 60 60 ASP C C 13 176.858 0.006 . . . . . . 60 D CO . 15377 1 649 . 1 1 60 60 ASP CA C 13 52.679 0.097 . . . . . . 60 D CA . 15377 1 650 . 1 1 60 60 ASP CB C 13 41.166 0.125 . . . . . . 60 D CB . 15377 1 651 . 1 1 60 60 ASP N N 15 121.232 0.020 . . . . . . 60 D N . 15377 1 652 . 1 1 61 61 LYS H H 1 8.457 0.007 . . . . . . 61 K NH . 15377 1 653 . 1 1 61 61 LYS HA H 1 4.031 0.007 . . . . . . 61 K HA . 15377 1 654 . 1 1 61 61 LYS HB2 H 1 1.776 0.013 . . . . . . 61 K HB2 . 15377 1 655 . 1 1 61 61 LYS HB3 H 1 1.737 0.011 . . . . . . 61 K HB3 . 15377 1 656 . 1 1 61 61 LYS HD2 H 1 1.564 0.005 . . . . . . 61 K HD2 . 15377 1 657 . 1 1 61 61 LYS HD3 H 1 1.564 0.005 . . . . . . 61 K HD3 . 15377 1 658 . 1 1 61 61 LYS HE2 H 1 2.821 0.003 . . . . . . 61 K HE2 . 15377 1 659 . 1 1 61 61 LYS HE3 H 1 2.821 0.003 . . . . . . 61 K HE3 . 15377 1 660 . 1 1 61 61 LYS HG2 H 1 1.298 0.006 . . . . . . 61 K HG2 . 15377 1 661 . 1 1 61 61 LYS HG3 H 1 1.298 0.006 . . . . . . 61 K HG3 . 15377 1 662 . 1 1 61 61 LYS C C 13 178.091 0.019 . . . . . . 61 K CO . 15377 1 663 . 1 1 61 61 LYS CA C 13 59.178 0.065 . . . . . . 61 K CA . 15377 1 664 . 1 1 61 61 LYS CB C 13 32.082 0.022 . . . . . . 61 K CB . 15377 1 665 . 1 1 61 61 LYS CD C 13 29.187 0.032 . . . . . . 61 K CD . 15377 1 666 . 1 1 61 61 LYS CE C 13 42.129 0.085 . . . . . . 61 K CE . 15377 1 667 . 1 1 61 61 LYS CG C 13 24.770 0.042 . . . . . . 61 K CG . 15377 1 668 . 1 1 61 61 LYS N N 15 126.541 0.037 . . . . . . 61 K N . 15377 1 669 . 1 1 62 62 ASP H H 1 8.262 0.013 . . . . . . 62 D NH . 15377 1 670 . 1 1 62 62 ASP HA H 1 4.442 0.007 . . . . . . 62 D HA . 15377 1 671 . 1 1 62 62 ASP HB2 H 1 2.655 0.015 . . . . . . 62 D HB2 . 15377 1 672 . 1 1 62 62 ASP HB3 H 1 2.605 0.012 . . . . . . 62 D HB3 . 15377 1 673 . 1 1 62 62 ASP C C 13 177.284 0.015 . . . . . . 62 D CO . 15377 1 674 . 1 1 62 62 ASP CA C 13 56.139 0.112 . . . . . . 62 D CA . 15377 1 675 . 1 1 62 62 ASP CB C 13 40.290 0.072 . . . . . . 62 D CB . 15377 1 676 . 1 1 62 62 ASP N N 15 117.729 0.018 . . . . . . 62 D N . 15377 1 677 . 1 1 63 63 GLN H H 1 7.794 0.008 . . . . . . 63 Q NH . 15377 1 678 . 1 1 63 63 GLN HA H 1 4.009 0.004 . . . . . . 63 Q HA . 15377 1 679 . 1 1 63 63 GLN HB2 H 1 1.919 0.014 . . . . . . 63 Q HB2 . 15377 1 680 . 1 1 63 63 GLN HB3 H 1 1.841 0.012 . . . . . . 63 Q HB3 . 15377 1 681 . 1 1 63 63 GLN HG2 H 1 2.070 0.006 . . . . . . 63 Q HG2 . 15377 1 682 . 1 1 63 63 GLN HG3 H 1 1.951 0.004 . . . . . . 63 Q HG3 . 15377 1 683 . 1 1 63 63 GLN C C 13 175.927 0.007 . . . . . . 63 Q CO . 15377 1 684 . 1 1 63 63 GLN CA C 13 56.800 0.101 . . . . . . 63 Q CA . 15377 1 685 . 1 1 63 63 GLN CB C 13 29.115 0.140 . . . . . . 63 Q CB . 15377 1 686 . 1 1 63 63 GLN CG C 13 33.598 0.065 . . . . . . 63 Q CG . 15377 1 687 . 1 1 63 63 GLN N N 15 117.465 0.015 . . . . . . 63 Q N . 15377 1 688 . 1 1 64 64 PHE H H 1 7.705 0.010 . . . . . . 64 F NH . 15377 1 689 . 1 1 64 64 PHE HA H 1 4.510 0.005 . . . . . . 64 F HA . 15377 1 690 . 1 1 64 64 PHE HB2 H 1 2.968 0.004 . . . . . . 64 F HB2 . 15377 1 691 . 1 1 64 64 PHE HB3 H 1 2.727 0.005 . . . . . . 64 F HB3 . 15377 1 692 . 1 1 64 64 PHE HD1 H 1 7.121 0.006 . . . . . . 64 F HD1 . 15377 1 693 . 1 1 64 64 PHE HD2 H 1 7.121 0.006 . . . . . . 64 F HD2 . 15377 1 694 . 1 1 64 64 PHE HE1 H 1 7.102 0.008 . . . . . . 64 F HE1 . 15377 1 695 . 1 1 64 64 PHE HE2 H 1 7.102 0.008 . . . . . . 64 F HE2 . 15377 1 696 . 1 1 64 64 PHE C C 13 174.735 0.006 . . . . . . 64 F CO . 15377 1 697 . 1 1 64 64 PHE CA C 13 58.398 0.099 . . . . . . 64 F CA . 15377 1 698 . 1 1 64 64 PHE CB C 13 40.290 0.020 . . . . . . 64 F CB . 15377 1 699 . 1 1 64 64 PHE N N 15 118.485 0.027 . . . . . . 64 F N . 15377 1 700 . 1 1 65 65 VAL H H 1 7.768 0.007 . . . . . . 65 V NH . 15377 1 701 . 1 1 65 65 VAL HA H 1 4.195 0.003 . . . . . . 65 V HA . 15377 1 702 . 1 1 65 65 VAL HB H 1 2.027 0.007 . . . . . . 65 V HB . 15377 1 703 . 1 1 65 65 VAL HG11 H 1 0.911 0.007 . . . . . . 65 V HG11 . 15377 1 704 . 1 1 65 65 VAL HG12 H 1 0.911 0.007 . . . . . . 65 V HG12 . 15377 1 705 . 1 1 65 65 VAL HG13 H 1 0.911 0.007 . . . . . . 65 V HG13 . 15377 1 706 . 1 1 65 65 VAL HG21 H 1 0.911 0.007 . . . . . . 65 V HG21 . 15377 1 707 . 1 1 65 65 VAL HG22 H 1 0.911 0.007 . . . . . . 65 V HG22 . 15377 1 708 . 1 1 65 65 VAL HG23 H 1 0.911 0.007 . . . . . . 65 V HG23 . 15377 1 709 . 1 1 65 65 VAL C C 13 175.984 0.004 . . . . . . 65 V CO . 15377 1 710 . 1 1 65 65 VAL CA C 13 62.046 0.146 . . . . . . 65 V CA . 15377 1 711 . 1 1 65 65 VAL CB C 13 33.032 0.069 . . . . . . 65 V CB . 15377 1 712 . 1 1 65 65 VAL CG1 C 13 21.167 0.000 . . . . . . 65 V CG1 . 15377 1 713 . 1 1 65 65 VAL N N 15 119.663 0.011 . . . . . . 65 V N . 15377 1 714 . 1 1 66 66 SER H H 1 8.488 0.006 . . . . . . 66 S NH . 15377 1 715 . 1 1 66 66 SER HA H 1 4.338 0.005 . . . . . . 66 S HA . 15377 1 716 . 1 1 66 66 SER HB2 H 1 3.837 0.010 . . . . . . 66 S HB2 . 15377 1 717 . 1 1 66 66 SER HB3 H 1 3.805 0.008 . . . . . . 66 S HB3 . 15377 1 718 . 1 1 66 66 SER C C 13 175.329 0.010 . . . . . . 66 S CO . 15377 1 719 . 1 1 66 66 SER CA C 13 58.632 0.076 . . . . . . 66 S CA . 15377 1 720 . 1 1 66 66 SER CB C 13 63.912 0.180 . . . . . . 66 S CB . 15377 1 721 . 1 1 66 66 SER N N 15 119.961 0.042 . . . . . . 66 S N . 15377 1 722 . 1 1 67 67 GLY H H 1 8.444 0.010 . . . . . . 67 G NH . 15377 1 723 . 1 1 67 67 GLY HA2 H 1 3.925 0.004 . . . . . . 67 G HA2 . 15377 1 724 . 1 1 67 67 GLY HA3 H 1 3.812 0.007 . . . . . . 67 G HA3 . 15377 1 725 . 1 1 67 67 GLY C C 13 173.990 0.009 . . . . . . 67 G CO . 15377 1 726 . 1 1 67 67 GLY CA C 13 45.330 0.083 . . . . . . 67 G CA . 15377 1 727 . 1 1 67 67 GLY N N 15 111.747 0.015 . . . . . . 67 G N . 15377 1 728 . 1 1 68 68 GLU H H 1 8.211 0.009 . . . . . . 68 E NH . 15377 1 729 . 1 1 68 68 GLU HA H 1 4.300 0.004 . . . . . . 68 E HA . 15377 1 730 . 1 1 68 68 GLU HB2 H 1 1.995 0.006 . . . . . . 68 E HB2 . 15377 1 731 . 1 1 68 68 GLU HB3 H 1 1.842 0.007 . . . . . . 68 E HB3 . 15377 1 732 . 1 1 68 68 GLU HG2 H 1 2.183 0.008 . . . . . . 68 E HG2 . 15377 1 733 . 1 1 68 68 GLU HG3 H 1 2.141 0.009 . . . . . . 68 E HG3 . 15377 1 734 . 1 1 68 68 GLU C C 13 176.581 0.009 . . . . . . 68 E CO . 15377 1 735 . 1 1 68 68 GLU CA C 13 56.380 0.076 . . . . . . 68 E CA . 15377 1 736 . 1 1 68 68 GLU CB C 13 30.547 0.103 . . . . . . 68 E CB . 15377 1 737 . 1 1 68 68 GLU CG C 13 36.110 0.024 . . . . . . 68 E CG . 15377 1 738 . 1 1 68 68 GLU N N 15 120.285 0.033 . . . . . . 68 E N . 15377 1 739 . 1 1 69 69 THR H H 1 8.231 0.009 . . . . . . 69 T NH . 15377 1 740 . 1 1 69 69 THR HA H 1 4.256 0.005 . . . . . . 69 T HA . 15377 1 741 . 1 1 69 69 THR HB H 1 4.059 0.006 . . . . . . 69 T HB . 15377 1 742 . 1 1 69 69 THR HG21 H 1 1.106 0.006 . . . . . . 69 T HG21 . 15377 1 743 . 1 1 69 69 THR HG22 H 1 1.106 0.006 . . . . . . 69 T HG22 . 15377 1 744 . 1 1 69 69 THR HG23 H 1 1.106 0.006 . . . . . . 69 T HG23 . 15377 1 745 . 1 1 69 69 THR C C 13 174.182 0.025 . . . . . . 69 T CO . 15377 1 746 . 1 1 69 69 THR CA C 13 62.031 0.050 . . . . . . 69 T CA . 15377 1 747 . 1 1 69 69 THR CB C 13 69.673 0.098 . . . . . . 69 T CB . 15377 1 748 . 1 1 69 69 THR CG2 C 13 21.736 0.016 . . . . . . 69 T CG2 . 15377 1 749 . 1 1 69 69 THR N N 15 116.283 0.033 . . . . . . 69 T N . 15377 1 750 . 1 1 70 70 VAL H H 1 8.219 0.006 . . . . . . 70 V NH . 15377 1 751 . 1 1 70 70 VAL HA H 1 4.362 0.004 . . . . . . 70 V HA . 15377 1 752 . 1 1 70 70 VAL HB H 1 2.008 0.005 . . . . . . 70 V HB . 15377 1 753 . 1 1 70 70 VAL HG11 H 1 0.885 0.008 . . . . . . 70 V HG11 . 15377 1 754 . 1 1 70 70 VAL HG12 H 1 0.885 0.008 . . . . . . 70 V HG12 . 15377 1 755 . 1 1 70 70 VAL HG13 H 1 0.885 0.008 . . . . . . 70 V HG13 . 15377 1 756 . 1 1 70 70 VAL HG21 H 1 0.885 0.008 . . . . . . 70 V HG21 . 15377 1 757 . 1 1 70 70 VAL HG22 H 1 0.885 0.008 . . . . . . 70 V HG22 . 15377 1 758 . 1 1 70 70 VAL HG23 H 1 0.885 0.008 . . . . . . 70 V HG23 . 15377 1 759 . 1 1 70 70 VAL CA C 13 59.768 0.000 . . . . . . 70 V CA . 15377 1 760 . 1 1 70 70 VAL CB C 13 32.481 0.000 . . . . . . 70 V CB . 15377 1 761 . 1 1 70 70 VAL N N 15 124.750 0.015 . . . . . . 70 V N . 15377 1 762 . 1 1 71 71 PRO HA H 1 4.319 0.004 . . . . . . 71 P HA . 15377 1 763 . 1 1 71 71 PRO HB2 H 1 2.192 0.005 . . . . . . 71 P HB2 . 15377 1 764 . 1 1 71 71 PRO HB3 H 1 1.802 0.007 . . . . . . 71 P HB3 . 15377 1 765 . 1 1 71 71 PRO HD2 H 1 3.797 0.004 . . . . . . 71 P HD2 . 15377 1 766 . 1 1 71 71 PRO HD3 H 1 3.595 0.004 . . . . . . 71 P HD3 . 15377 1 767 . 1 1 71 71 PRO HG2 H 1 1.922 0.004 . . . . . . 71 P HG2 . 15377 1 768 . 1 1 71 71 PRO HG3 H 1 1.922 0.004 . . . . . . 71 P HG3 . 15377 1 769 . 1 1 71 71 PRO C C 13 176.093 0.000 . . . . . . 71 P CO . 15377 1 770 . 1 1 71 71 PRO CA C 13 63.008 0.142 . . . . . . 71 P CA . 15377 1 771 . 1 1 71 71 PRO CB C 13 32.095 0.017 . . . . . . 71 P CB . 15377 1 772 . 1 1 71 71 PRO CD C 13 51.252 0.000 . . . . . . 71 P CD . 15377 1 773 . 1 1 71 71 PRO CG C 13 27.318 0.000 . . . . . . 71 P CG . 15377 1 774 . 1 1 72 72 ALA H H 1 8.368 0.009 . . . . . . 72 A NH . 15377 1 775 . 1 1 72 72 ALA HA H 1 4.520 0.004 . . . . . . 72 A HA . 15377 1 776 . 1 1 72 72 ALA HB1 H 1 1.310 0.005 . . . . . . 72 A HB1 . 15377 1 777 . 1 1 72 72 ALA HB2 H 1 1.310 0.005 . . . . . . 72 A HB2 . 15377 1 778 . 1 1 72 72 ALA HB3 H 1 1.310 0.005 . . . . . . 72 A HB3 . 15377 1 779 . 1 1 72 72 ALA C C 13 175.767 0.000 . . . . . . 72 A CO . 15377 1 780 . 1 1 72 72 ALA CA C 13 50.466 0.000 . . . . . . 72 A CA . 15377 1 781 . 1 1 72 72 ALA CB C 13 18.303 0.000 . . . . . . 72 A CB . 15377 1 782 . 1 1 72 72 ALA N N 15 125.655 0.032 . . . . . . 72 A N . 15377 1 783 . 1 1 73 73 PRO HA H 1 4.375 0.004 . . . . . . 73 P HA . 15377 1 784 . 1 1 73 73 PRO HB2 H 1 2.259 0.005 . . . . . . 73 P HB2 . 15377 1 785 . 1 1 73 73 PRO HB3 H 1 1.873 0.006 . . . . . . 73 P HB3 . 15377 1 786 . 1 1 73 73 PRO HD2 H 1 3.777 0.005 . . . . . . 73 P HD2 . 15377 1 787 . 1 1 73 73 PRO HD3 H 1 3.604 0.004 . . . . . . 73 P HD3 . 15377 1 788 . 1 1 73 73 PRO HG2 H 1 1.973 0.006 . . . . . . 73 P HG2 . 15377 1 789 . 1 1 73 73 PRO HG3 H 1 1.973 0.006 . . . . . . 73 P HG3 . 15377 1 790 . 1 1 73 73 PRO C C 13 177.069 0.014 . . . . . . 73 P CO . 15377 1 791 . 1 1 73 73 PRO CA C 13 63.665 0.189 . . . . . . 73 P CA . 15377 1 792 . 1 1 73 73 PRO CB C 13 32.107 0.167 . . . . . . 73 P CB . 15377 1 793 . 1 1 73 73 PRO CD C 13 50.828 0.000 . . . . . . 73 P CD . 15377 1 794 . 1 1 73 73 PRO CG C 13 27.677 0.000 . . . . . . 73 P CG . 15377 1 795 . 1 1 74 74 SER H H 1 8.325 0.007 . . . . . . 74 S NH . 15377 1 796 . 1 1 74 74 SER HA H 1 4.341 0.004 . . . . . . 74 S HA . 15377 1 797 . 1 1 74 74 SER HB2 H 1 3.834 0.008 . . . . . . 74 S HB2 . 15377 1 798 . 1 1 74 74 SER HB3 H 1 3.834 0.008 . . . . . . 74 S HB3 . 15377 1 799 . 1 1 74 74 SER C C 13 174.467 0.011 . . . . . . 74 S CO . 15377 1 800 . 1 1 74 74 SER CA C 13 58.296 0.088 . . . . . . 74 S CA . 15377 1 801 . 1 1 74 74 SER CB C 13 63.891 0.083 . . . . . . 74 S CB . 15377 1 802 . 1 1 74 74 SER N N 15 115.533 0.014 . . . . . . 74 S N . 15377 1 803 . 1 1 75 75 ALA H H 1 8.325 0.007 . . . . . . 75 A NH . 15377 1 804 . 1 1 75 75 ALA HA H 1 4.265 0.004 . . . . . . 75 A HA . 15377 1 805 . 1 1 75 75 ALA HB1 H 1 1.345 0.004 . . . . . . 75 A HB1 . 15377 1 806 . 1 1 75 75 ALA HB2 H 1 1.345 0.004 . . . . . . 75 A HB2 . 15377 1 807 . 1 1 75 75 ALA HB3 H 1 1.345 0.004 . . . . . . 75 A HB3 . 15377 1 808 . 1 1 75 75 ALA C C 13 177.441 0.003 . . . . . . 75 A CO . 15377 1 809 . 1 1 75 75 ALA CA C 13 52.690 0.019 . . . . . . 75 A CA . 15377 1 810 . 1 1 75 75 ALA CB C 13 19.417 0.058 . . . . . . 75 A CB . 15377 1 811 . 1 1 75 75 ALA N N 15 125.877 0.028 . . . . . . 75 A N . 15377 1 812 . 1 1 76 76 ASN H H 1 8.310 0.009 . . . . . . 76 N NH . 15377 1 813 . 1 1 76 76 ASN HA H 1 4.599 0.004 . . . . . . 76 N HA . 15377 1 814 . 1 1 76 76 ASN HB2 H 1 2.795 0.006 . . . . . . 76 N HB2 . 15377 1 815 . 1 1 76 76 ASN HB3 H 1 2.716 0.007 . . . . . . 76 N HB3 . 15377 1 816 . 1 1 76 76 ASN C C 13 175.428 0.011 . . . . . . 76 N CO . 15377 1 817 . 1 1 76 76 ASN CA C 13 53.371 0.124 . . . . . . 76 N CA . 15377 1 818 . 1 1 76 76 ASN CB C 13 38.602 0.017 . . . . . . 76 N CB . 15377 1 819 . 1 1 76 76 ASN N N 15 117.646 0.025 . . . . . . 76 N N . 15377 1 820 . 1 1 77 77 LYS H H 1 8.279 0.007 . . . . . . 77 K NH . 15377 1 821 . 1 1 77 77 LYS HA H 1 4.199 0.006 . . . . . . 77 K HA . 15377 1 822 . 1 1 77 77 LYS HB2 H 1 1.796 0.010 . . . . . . 77 K HB2 . 15377 1 823 . 1 1 77 77 LYS HB3 H 1 1.740 0.009 . . . . . . 77 K HB3 . 15377 1 824 . 1 1 77 77 LYS HD2 H 1 1.622 0.006 . . . . . . 77 K HD2 . 15377 1 825 . 1 1 77 77 LYS HD3 H 1 1.622 0.006 . . . . . . 77 K HD3 . 15377 1 826 . 1 1 77 77 LYS HE2 H 1 2.937 0.008 . . . . . . 77 K HE2 . 15377 1 827 . 1 1 77 77 LYS HE3 H 1 2.937 0.008 . . . . . . 77 K HE3 . 15377 1 828 . 1 1 77 77 LYS HG2 H 1 1.378 0.006 . . . . . . 77 K HG2 . 15377 1 829 . 1 1 77 77 LYS HG3 H 1 1.378 0.006 . . . . . . 77 K HG3 . 15377 1 830 . 1 1 77 77 LYS C C 13 176.621 0.004 . . . . . . 77 K CO . 15377 1 831 . 1 1 77 77 LYS CA C 13 56.899 0.070 . . . . . . 77 K CA . 15377 1 832 . 1 1 77 77 LYS CB C 13 32.784 0.022 . . . . . . 77 K CB . 15377 1 833 . 1 1 77 77 LYS CD C 13 28.949 0.000 . . . . . . 77 K CD . 15377 1 834 . 1 1 77 77 LYS CE C 13 42.204 0.000 . . . . . . 77 K CE . 15377 1 835 . 1 1 77 77 LYS CG C 13 24.830 0.000 . . . . . . 77 K CG . 15377 1 836 . 1 1 77 77 LYS N N 15 122.069 0.018 . . . . . . 77 K N . 15377 1 837 . 1 1 78 78 GLU H H 1 8.332 0.006 . . . . . . 78 E NH . 15377 1 838 . 1 1 78 78 GLU HA H 1 4.183 0.004 . . . . . . 78 E HA . 15377 1 839 . 1 1 78 78 GLU HB2 H 1 1.979 0.009 . . . . . . 78 E HB2 . 15377 1 840 . 1 1 78 78 GLU HB3 H 1 1.896 0.009 . . . . . . 78 E HB3 . 15377 1 841 . 1 1 78 78 GLU HG2 H 1 2.212 0.006 . . . . . . 78 E HG2 . 15377 1 842 . 1 1 78 78 GLU HG3 H 1 2.190 0.007 . . . . . . 78 E HG3 . 15377 1 843 . 1 1 78 78 GLU C C 13 176.498 0.017 . . . . . . 78 E CO . 15377 1 844 . 1 1 78 78 GLU CA C 13 56.834 0.045 . . . . . . 78 E CA . 15377 1 845 . 1 1 78 78 GLU CB C 13 29.901 0.023 . . . . . . 78 E CB . 15377 1 846 . 1 1 78 78 GLU CG C 13 36.183 0.037 . . . . . . 78 E CG . 15377 1 847 . 1 1 78 78 GLU N N 15 120.980 0.090 . . . . . . 78 E N . 15377 1 848 . 1 1 79 79 LEU H H 1 8.078 0.010 . . . . . . 79 L NH . 15377 1 849 . 1 1 79 79 LEU HA H 1 4.253 0.003 . . . . . . 79 L HA . 15377 1 850 . 1 1 79 79 LEU HB2 H 1 1.592 0.009 . . . . . . 79 L HB2 . 15377 1 851 . 1 1 79 79 LEU HB3 H 1 1.535 0.004 . . . . . . 79 L HB3 . 15377 1 852 . 1 1 79 79 LEU HD11 H 1 0.859 0.007 . . . . . . 79 L HD11 . 15377 1 853 . 1 1 79 79 LEU HD12 H 1 0.859 0.007 . . . . . . 79 L HD12 . 15377 1 854 . 1 1 79 79 LEU HD13 H 1 0.859 0.007 . . . . . . 79 L HD13 . 15377 1 855 . 1 1 79 79 LEU HD21 H 1 0.827 0.012 . . . . . . 79 L HD21 . 15377 1 856 . 1 1 79 79 LEU HD22 H 1 0.827 0.012 . . . . . . 79 L HD22 . 15377 1 857 . 1 1 79 79 LEU HD23 H 1 0.827 0.012 . . . . . . 79 L HD23 . 15377 1 858 . 1 1 79 79 LEU HG H 1 1.547 0.005 . . . . . . 79 L HG . 15377 1 859 . 1 1 79 79 LEU C C 13 177.332 0.010 . . . . . . 79 L CO . 15377 1 860 . 1 1 79 79 LEU CA C 13 55.575 0.085 . . . . . . 79 L CA . 15377 1 861 . 1 1 79 79 LEU CB C 13 42.170 0.056 . . . . . . 79 L CB . 15377 1 862 . 1 1 79 79 LEU CD1 C 13 24.742 0.092 . . . . . . 79 L CD1 . 15377 1 863 . 1 1 79 79 LEU CD2 C 13 23.660 0.000 . . . . . . 79 L CD2 . 15377 1 864 . 1 1 79 79 LEU CG C 13 26.917 0.065 . . . . . . 79 L CG . 15377 1 865 . 1 1 79 79 LEU N N 15 122.740 0.023 . . . . . . 79 L N . 15377 1 866 . 1 1 80 80 VAL H H 1 7.971 0.010 . . . . . . 80 V NH . 15377 1 867 . 1 1 80 80 VAL HA H 1 3.978 0.003 . . . . . . 80 V HA . 15377 1 868 . 1 1 80 80 VAL HB H 1 1.977 0.007 . . . . . . 80 V HB . 15377 1 869 . 1 1 80 80 VAL HG11 H 1 0.863 0.007 . . . . . . 80 V HG11 . 15377 1 870 . 1 1 80 80 VAL HG12 H 1 0.863 0.007 . . . . . . 80 V HG12 . 15377 1 871 . 1 1 80 80 VAL HG13 H 1 0.863 0.007 . . . . . . 80 V HG13 . 15377 1 872 . 1 1 80 80 VAL HG21 H 1 0.836 0.004 . . . . . . 80 V HG21 . 15377 1 873 . 1 1 80 80 VAL HG22 H 1 0.836 0.004 . . . . . . 80 V HG22 . 15377 1 874 . 1 1 80 80 VAL HG23 H 1 0.836 0.004 . . . . . . 80 V HG23 . 15377 1 875 . 1 1 80 80 VAL C C 13 175.889 0.005 . . . . . . 80 V CO . 15377 1 876 . 1 1 80 80 VAL CA C 13 62.596 0.073 . . . . . . 80 V CA . 15377 1 877 . 1 1 80 80 VAL CB C 13 32.500 0.006 . . . . . . 80 V CB . 15377 1 878 . 1 1 80 80 VAL CG1 C 13 20.835 0.000 . . . . . . 80 V CG1 . 15377 1 879 . 1 1 80 80 VAL N N 15 121.298 0.016 . . . . . . 80 V N . 15377 1 880 . 1 1 81 81 LYS H H 1 8.272 0.007 . . . . . . 81 K NH . 15377 1 881 . 1 1 81 81 LYS HA H 1 4.238 0.007 . . . . . . 81 K HA . 15377 1 882 . 1 1 81 81 LYS HB2 H 1 1.730 0.008 . . . . . . 81 K HB2 . 15377 1 883 . 1 1 81 81 LYS HB3 H 1 1.730 0.008 . . . . . . 81 K HB3 . 15377 1 884 . 1 1 81 81 LYS HD2 H 1 1.613 0.003 . . . . . . 81 K HD2 . 15377 1 885 . 1 1 81 81 LYS HD3 H 1 1.613 0.003 . . . . . . 81 K HD3 . 15377 1 886 . 1 1 81 81 LYS HE2 H 1 2.908 0.006 . . . . . . 81 K HE2 . 15377 1 887 . 1 1 81 81 LYS HE3 H 1 2.908 0.006 . . . . . . 81 K HE3 . 15377 1 888 . 1 1 81 81 LYS HG2 H 1 1.343 0.009 . . . . . . 81 K HG2 . 15377 1 889 . 1 1 81 81 LYS HG3 H 1 1.343 0.009 . . . . . . 81 K HG3 . 15377 1 890 . 1 1 81 81 LYS C C 13 176.233 0.012 . . . . . . 81 K CO . 15377 1 891 . 1 1 81 81 LYS CA C 13 56.266 0.061 . . . . . . 81 K CA . 15377 1 892 . 1 1 81 81 LYS CB C 13 32.864 0.008 . . . . . . 81 K CB . 15377 1 893 . 1 1 81 81 LYS CD C 13 29.130 0.102 . . . . . . 81 K CD . 15377 1 894 . 1 1 81 81 LYS CE C 13 42.151 0.000 . . . . . . 81 K CE . 15377 1 895 . 1 1 81 81 LYS CG C 13 24.772 0.000 . . . . . . 81 K CG . 15377 1 896 . 1 1 81 81 LYS N N 15 125.292 0.022 . . . . . . 81 K N . 15377 1 897 . 1 1 82 82 LEU H H 1 8.227 0.008 . . . . . . 82 L NH . 15377 1 898 . 1 1 82 82 LEU HA H 1 4.242 0.007 . . . . . . 82 L HA . 15377 1 899 . 1 1 82 82 LEU HB2 H 1 1.527 0.008 . . . . . . 82 L HB2 . 15377 1 900 . 1 1 82 82 LEU HB3 H 1 1.421 0.007 . . . . . . 82 L HB3 . 15377 1 901 . 1 1 82 82 LEU HD11 H 1 0.798 0.007 . . . . . . 82 L HD11 . 15377 1 902 . 1 1 82 82 LEU HD12 H 1 0.798 0.007 . . . . . . 82 L HD12 . 15377 1 903 . 1 1 82 82 LEU HD13 H 1 0.798 0.007 . . . . . . 82 L HD13 . 15377 1 904 . 1 1 82 82 LEU HD21 H 1 0.759 0.008 . . . . . . 82 L HD21 . 15377 1 905 . 1 1 82 82 LEU HD22 H 1 0.759 0.008 . . . . . . 82 L HD22 . 15377 1 906 . 1 1 82 82 LEU HD23 H 1 0.759 0.008 . . . . . . 82 L HD23 . 15377 1 907 . 1 1 82 82 LEU HG H 1 1.530 0.005 . . . . . . 82 L HG . 15377 1 908 . 1 1 82 82 LEU C C 13 177.162 0.011 . . . . . . 82 L CO . 15377 1 909 . 1 1 82 82 LEU CA C 13 55.235 0.051 . . . . . . 82 L CA . 15377 1 910 . 1 1 82 82 LEU CB C 13 42.339 0.023 . . . . . . 82 L CB . 15377 1 911 . 1 1 82 82 LEU CD1 C 13 23.377 0.103 . . . . . . 82 L CD . 15377 1 912 . 1 1 82 82 LEU CD2 C 13 23.377 0.103 . . . . . . 82 L CD . 15377 1 913 . 1 1 82 82 LEU CG C 13 26.849 0.044 . . . . . . 82 L CG . 15377 1 914 . 1 1 82 82 LEU N N 15 124.091 0.021 . . . . . . 82 L N . 15377 1 915 . 1 1 83 83 GLU H H 1 8.336 0.008 . . . . . . 83 E NH . 15377 1 916 . 1 1 83 83 GLU HA H 1 4.150 0.004 . . . . . . 83 E HA . 15377 1 917 . 1 1 83 83 GLU HB2 H 1 1.830 0.008 . . . . . . 83 E HB2 . 15377 1 918 . 1 1 83 83 GLU HB3 H 1 1.830 0.008 . . . . . . 83 E HB3 . 15377 1 919 . 1 1 83 83 GLU HG2 H 1 2.139 0.007 . . . . . . 83 E HG2 . 15377 1 920 . 1 1 83 83 GLU HG3 H 1 2.072 0.008 . . . . . . 83 E HG3 . 15377 1 921 . 1 1 83 83 GLU C C 13 176.061 0.009 . . . . . . 83 E CO . 15377 1 922 . 1 1 83 83 GLU CA C 13 56.469 0.096 . . . . . . 83 E CA . 15377 1 923 . 1 1 83 83 GLU CB C 13 30.377 0.021 . . . . . . 83 E CB . 15377 1 924 . 1 1 83 83 GLU CG C 13 36.061 0.021 . . . . . . 83 E CG . 15377 1 925 . 1 1 83 83 GLU N N 15 121.534 0.043 . . . . . . 83 E N . 15377 1 926 . 1 1 84 84 HIS H H 1 8.286 0.011 . . . . . . 84 H NH . 15377 1 927 . 1 1 84 84 HIS C C 13 174.836 0.000 . . . . . . 84 H CO . 15377 1 928 . 1 1 84 84 HIS N N 15 119.932 0.018 . . . . . . 84 H N . 15377 1 stop_ save_