data_7034 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 7034 _Study_list.ID 1 loop_ _Study_keyword.Study_ID _Study_keyword.Keyword _Study_keyword.Entry_ID _Study_keyword.Study_list_ID 1 'NMR structure' 7034 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7034 _Entry.Title ; 1H, 13C, and 15N chemical shift assignments for the zinc-finger region of human ZHX1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-03-27 _Entry.Accession_date 2006-03-27 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Hans Wienk . . . 7034 2 Ivonne Lammers . . . 7034 3 Jin Wu . . . 7034 4 Anna Hotze . . . 7034 5 Rainer Wechselberger . . . 7034 6 Rob Kaptein . . . 7034 7 Gert Folkers . . . 7034 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7034 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 309 7034 '15N chemical shifts' 86 7034 '1H chemical shifts' 532 7034 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 . . 2009-10-16 2006-03-27 update BMRB 'complete entry citation' 7034 1 . . 2006-04-05 2006-03-27 original author 'original release' 7034 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7034 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19348505 _Citation.Full_citation . _Citation.Title 'The tandem zinc-finger region of human ZHX adopts a novel C2H2 zinc finger structure with a C-terminal extension.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 48 _Citation.Journal_issue 21 _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 4431 _Citation.Page_last 4439 _Citation.Year 2009 _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 Hans Wienk . . . 7034 1 2 Ivonne Lammers . . . 7034 1 3 Anna Hotze . . . 7034 1 4 Jin Wu . . . 7034 1 5 Rainer Wechselberger . W. . 7034 1 6 Ray Owens . . . 7034 1 7 David Stammers . K. . 7034 1 8 David Stuart . . . 7034 1 9 Robert Kaptein . . . 7034 1 10 Gert Folkers . E. . 7034 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NMR 7034 1 'Nuclear Factor-Ya' 7034 1 'transcription repressor' 7034 1 ZHX1 7034 1 zinc-finger 7034 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7034 _Assembly.ID 1 _Assembly.Name hZHX1-ZNF _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 2 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all other bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details 'C2H2 zinc-finger region of human ZHX1' _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 polypeptide 1 $polypeptide_of_hZHX1-ZNF . . yes native no no . . . 7034 1 2 zinc1 2 $ZN . . no native no no . 'structure integrity' . 7034 1 3 zinc2 2 $ZN . . no native no no . 'structure integrity' . 7034 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination SING . 1 . 1 CYS 21 21 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 7034 1 2 coordination SING . 1 . 1 CYS 24 24 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 7034 1 3 coordination SING . 1 . 1 HIS 37 37 NE2 . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 7034 1 4 coordination SING . 1 . 1 HIS 42 42 NE2 . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 7034 1 5 coordination SING . 1 . 1 CYS 53 53 SG . 3 . 2 ZN 1 1 ZN . . . . . . . . . . 7034 1 6 coordination SING . 1 . 1 CYS 56 56 SG . 3 . 2 ZN 1 1 ZN . . . . . . . . . . 7034 1 7 coordination SING . 1 . 1 HIS 69 69 NE2 . 3 . 2 ZN 1 1 ZN . . . . . . . . . . 7034 1 8 coordination SING . 1 . 1 HIS 74 74 NE2 . 3 . 2 ZN 1 1 ZN . . . . . . . . . . 7034 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_polypeptide_of_hZHX1-ZNF _Entity.Sf_category entity _Entity.Sf_framecode polypeptide_of_hZHX1-ZNF _Entity.Entry_ID 7034 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name hZHX1-ZNF _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MAHHHHHHNQQNKKVEGGYE CKYCTFQTPDLNMFTFHVDS EHPNVVLNSSYVCVECNFLT KRYDALSEHNLKYHPGEENF KLTMVKRNNQTIFEQTINDL TF ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 1-102 _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 102 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all other bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12110 _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 . MET . 7034 1 2 . ALA . 7034 1 3 . HIS . 7034 1 4 . HIS . 7034 1 5 . HIS . 7034 1 6 . HIS . 7034 1 7 . HIS . 7034 1 8 . HIS . 7034 1 9 . ASN . 7034 1 10 . GLN . 7034 1 11 . GLN . 7034 1 12 . ASN . 7034 1 13 . LYS . 7034 1 14 . LYS . 7034 1 15 . VAL . 7034 1 16 . GLU . 7034 1 17 . GLY . 7034 1 18 . GLY . 7034 1 19 . TYR . 7034 1 20 . GLU . 7034 1 21 . CYS . 7034 1 22 . LYS . 7034 1 23 . TYR . 7034 1 24 . CYS . 7034 1 25 . THR . 7034 1 26 . PHE . 7034 1 27 . GLN . 7034 1 28 . THR . 7034 1 29 . PRO . 7034 1 30 . ASP . 7034 1 31 . LEU . 7034 1 32 . ASN . 7034 1 33 . MET . 7034 1 34 . PHE . 7034 1 35 . THR . 7034 1 36 . PHE . 7034 1 37 . HIS . 7034 1 38 . VAL . 7034 1 39 . ASP . 7034 1 40 . SER . 7034 1 41 . GLU . 7034 1 42 . HIS . 7034 1 43 . PRO . 7034 1 44 . ASN . 7034 1 45 . VAL . 7034 1 46 . VAL . 7034 1 47 . LEU . 7034 1 48 . ASN . 7034 1 49 . SER . 7034 1 50 . SER . 7034 1 51 . TYR . 7034 1 52 . VAL . 7034 1 53 . CYS . 7034 1 54 . VAL . 7034 1 55 . GLU . 7034 1 56 . CYS . 7034 1 57 . ASN . 7034 1 58 . PHE . 7034 1 59 . LEU . 7034 1 60 . THR . 7034 1 61 . LYS . 7034 1 62 . ARG . 7034 1 63 . TYR . 7034 1 64 . ASP . 7034 1 65 . ALA . 7034 1 66 . LEU . 7034 1 67 . SER . 7034 1 68 . GLU . 7034 1 69 . HIS . 7034 1 70 . ASN . 7034 1 71 . LEU . 7034 1 72 . LYS . 7034 1 73 . TYR . 7034 1 74 . HIS . 7034 1 75 . PRO . 7034 1 76 . GLY . 7034 1 77 . GLU . 7034 1 78 . GLU . 7034 1 79 . ASN . 7034 1 80 . PHE . 7034 1 81 . LYS . 7034 1 82 . LEU . 7034 1 83 . THR . 7034 1 84 . MET . 7034 1 85 . VAL . 7034 1 86 . LYS . 7034 1 87 . ARG . 7034 1 88 . ASN . 7034 1 89 . ASN . 7034 1 90 . GLN . 7034 1 91 . THR . 7034 1 92 . ILE . 7034 1 93 . PHE . 7034 1 94 . GLU . 7034 1 95 . GLN . 7034 1 96 . THR . 7034 1 97 . ILE . 7034 1 98 . ASN . 7034 1 99 . ASP . 7034 1 100 . LEU . 7034 1 101 . THR . 7034 1 102 . PHE . 7034 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 7034 1 . ALA 2 2 7034 1 . HIS 3 3 7034 1 . HIS 4 4 7034 1 . HIS 5 5 7034 1 . HIS 6 6 7034 1 . HIS 7 7 7034 1 . HIS 8 8 7034 1 . ASN 9 9 7034 1 . GLN 10 10 7034 1 . GLN 11 11 7034 1 . ASN 12 12 7034 1 . LYS 13 13 7034 1 . LYS 14 14 7034 1 . VAL 15 15 7034 1 . GLU 16 16 7034 1 . GLY 17 17 7034 1 . GLY 18 18 7034 1 . TYR 19 19 7034 1 . GLU 20 20 7034 1 . CYS 21 21 7034 1 . LYS 22 22 7034 1 . TYR 23 23 7034 1 . CYS 24 24 7034 1 . THR 25 25 7034 1 . PHE 26 26 7034 1 . GLN 27 27 7034 1 . THR 28 28 7034 1 . PRO 29 29 7034 1 . ASP 30 30 7034 1 . LEU 31 31 7034 1 . ASN 32 32 7034 1 . MET 33 33 7034 1 . PHE 34 34 7034 1 . THR 35 35 7034 1 . PHE 36 36 7034 1 . HIS 37 37 7034 1 . VAL 38 38 7034 1 . ASP 39 39 7034 1 . SER 40 40 7034 1 . GLU 41 41 7034 1 . HIS 42 42 7034 1 . PRO 43 43 7034 1 . ASN 44 44 7034 1 . VAL 45 45 7034 1 . VAL 46 46 7034 1 . LEU 47 47 7034 1 . ASN 48 48 7034 1 . SER 49 49 7034 1 . SER 50 50 7034 1 . TYR 51 51 7034 1 . VAL 52 52 7034 1 . CYS 53 53 7034 1 . VAL 54 54 7034 1 . GLU 55 55 7034 1 . CYS 56 56 7034 1 . ASN 57 57 7034 1 . PHE 58 58 7034 1 . LEU 59 59 7034 1 . THR 60 60 7034 1 . LYS 61 61 7034 1 . ARG 62 62 7034 1 . TYR 63 63 7034 1 . ASP 64 64 7034 1 . ALA 65 65 7034 1 . LEU 66 66 7034 1 . SER 67 67 7034 1 . GLU 68 68 7034 1 . HIS 69 69 7034 1 . ASN 70 70 7034 1 . LEU 71 71 7034 1 . LYS 72 72 7034 1 . TYR 73 73 7034 1 . HIS 74 74 7034 1 . PRO 75 75 7034 1 . GLY 76 76 7034 1 . GLU 77 77 7034 1 . GLU 78 78 7034 1 . ASN 79 79 7034 1 . PHE 80 80 7034 1 . LYS 81 81 7034 1 . LEU 82 82 7034 1 . THR 83 83 7034 1 . MET 84 84 7034 1 . VAL 85 85 7034 1 . LYS 86 86 7034 1 . ARG 87 87 7034 1 . ASN 88 88 7034 1 . ASN 89 89 7034 1 . GLN 90 90 7034 1 . THR 91 91 7034 1 . ILE 92 92 7034 1 . PHE 93 93 7034 1 . GLU 94 94 7034 1 . GLN 95 95 7034 1 . THR 96 96 7034 1 . ILE 97 97 7034 1 . ASN 98 98 7034 1 . ASP 99 99 7034 1 . LEU 100 100 7034 1 . THR 101 101 7034 1 . PHE 102 102 7034 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 7034 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ZN . 7034 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 7034 _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 $polypeptide_of_hZHX1-ZNF . 9606 . no 'Homo sapiens' human . . Eukaryota Metazoa homo sapiens . . . . . . . . . . . . . . . . . . . . . 7034 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 7034 _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 $polypeptide_of_hZHX1-ZNF . 'recombinant technology' . 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . . . . . . . . . . . 7034 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 7034 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Aug 31 14:58:40 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 7034 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 7034 ZN [Zn++] SMILES CACTVS 3.341 7034 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 7034 ZN [Zn+2] SMILES ACDLabs 10.04 7034 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 7034 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 7034 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 7034 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 7034 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN . ZN . . ZN . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 7034 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7034 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 hZHX1-ZNF '[U-98% 13C; U-99% 15N]' . . 1 $polypeptide_of_hZHX1-ZNF . protein 0.3 . . mM . . . . 7034 1 2 NaPO4 . . . . . . buffer 30 . . mM . . . . 7034 1 3 NaCl . . . . . . salt 100 . . mM . . . . 7034 1 4 ZnCl2 . . . . . . salt 50 . . microM . . . . 7034 1 5 D2O . . . . . . solvent 10 . . % . . . . 7034 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 7034 _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 8.0 0.0 pH 7034 1 temperature 293 0.0 K 7034 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 7034 _Software.ID 1 _Software.Name SPARKY _Software.Version 3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'T. D. Goddard and D. G. Kneller' 'University of California, San Francisco' . 7034 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID assignment 7034 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 7034 _Software.ID 2 _Software.Name XWIN-NMR _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID BRUKER . www.bruker-biospin.de/NMR/ 7034 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 7034 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_700MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 700MHz_spectrometer _NMR_spectrometer.Entry_ID 7034 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700.13 save_ save_900MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 900MHz_spectrometer _NMR_spectrometer.Entry_ID 7034 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900.21 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 7034 _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 1H15N_HSQC no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $700MHz_spectrometer . . . . . . . . . . . . . . . . 7034 1 2 CBCA(CO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $700MHz_spectrometer . . . . . . . . . . . . . . . . 7034 1 3 HNCACB no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $700MHz_spectrometer . . . . . . . . . . . . . . . . 7034 1 4 HNCO no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $700MHz_spectrometer . . . . . . . . . . . . . . . . 7034 1 5 HN(CA)HA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $700MHz_spectrometer . . . . . . . . . . . . . . . . 7034 1 6 CC(CO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $700MHz_spectrometer . . . . . . . . . . . . . . . . 7034 1 7 H(C)CH-TOCSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $700MHz_spectrometer . . . . . . . . . . . . . . . . 7034 1 8 (H)CCH-COSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $700MHz_spectrometer . . . . . . . . . . . . . . . . 7034 1 9 HNH-NOESY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 2 $900MHz_spectrometer . . . . . . . . . . . . . . . . 7034 1 10 HH-NOESY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 2 $900MHz_spectrometer . . . . . . . . . . . . . . . . 7034 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 7034 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 7034 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 7034 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 7034 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7034 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0.020 _Assigned_chem_shift_list.Chem_shift_13C_err 0.200 _Assigned_chem_shift_list.Chem_shift_15N_err 0.200 _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 1H15N_HSQC 1 $sample_1 isotropic 7034 1 2 CBCA(CO)NH 1 $sample_1 isotropic 7034 1 3 HNCACB 1 $sample_1 isotropic 7034 1 4 HNCO 1 $sample_1 isotropic 7034 1 5 HN(CA)HA 1 $sample_1 isotropic 7034 1 6 CC(CO)NH 1 $sample_1 isotropic 7034 1 7 H(C)CH-TOCSY 1 $sample_1 isotropic 7034 1 8 (H)CCH-COSY 1 $sample_1 isotropic 7034 1 9 HNH-NOESY 1 $sample_1 isotropic 7034 1 10 HH-NOESY 1 $sample_1 isotropic 7034 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 7034 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 13 13 LYS H H 1 7.958 0.020 . . . . . . 13 LYS H . 7034 1 2 . 1 1 13 13 LYS HA H 1 4.125 0.020 . . . . . . 13 LYS HA . 7034 1 3 . 1 1 13 13 LYS CA C 13 54.703 0.200 . . . . . . 13 LYS CA . 7034 1 4 . 1 1 13 13 LYS CB C 13 27.720 0.200 . . . . . . 13 LYS CB . 7034 1 5 . 1 1 13 13 LYS N N 15 125.283 0.200 . . . . . . 13 LYS N . 7034 1 6 . 1 1 14 14 LYS H H 1 8.095 0.020 . . . . . . 14 LYS H . 7034 1 7 . 1 1 14 14 LYS HA H 1 4.279 0.020 . . . . . . 14 LYS HA . 7034 1 8 . 1 1 14 14 LYS HB2 H 1 1.770 0.020 . . . . . . 14 LYS HB2 . 7034 1 9 . 1 1 14 14 LYS HB3 H 1 1.708 0.020 . . . . . . 14 LYS HB3 . 7034 1 10 . 1 1 14 14 LYS HG2 H 1 1.374 0.020 . . . . . . 14 LYS QG . 7034 1 11 . 1 1 14 14 LYS HG3 H 1 1.374 0.020 . . . . . . 14 LYS QG . 7034 1 12 . 1 1 14 14 LYS HD2 H 1 1.643 0.020 . . . . . . 14 LYS QD . 7034 1 13 . 1 1 14 14 LYS HD3 H 1 1.643 0.020 . . . . . . 14 LYS QD . 7034 1 14 . 1 1 14 14 LYS HE2 H 1 2.953 0.020 . . . . . . 14 LYS QE . 7034 1 15 . 1 1 14 14 LYS HE3 H 1 2.953 0.020 . . . . . . 14 LYS QE . 7034 1 16 . 1 1 14 14 LYS C C 13 176.419 0.200 . . . . . . 14 LYS C . 7034 1 17 . 1 1 14 14 LYS CA C 13 53.561 0.200 . . . . . . 14 LYS CA . 7034 1 18 . 1 1 14 14 LYS CB C 13 30.326 0.200 . . . . . . 14 LYS CB . 7034 1 19 . 1 1 14 14 LYS CG C 13 21.942 0.200 . . . . . . 14 LYS CG . 7034 1 20 . 1 1 14 14 LYS CD C 13 26.369 0.200 . . . . . . 14 LYS CD . 7034 1 21 . 1 1 14 14 LYS CE C 13 39.355 0.200 . . . . . . 14 LYS CE . 7034 1 22 . 1 1 14 14 LYS N N 15 118.582 0.200 . . . . . . 14 LYS N . 7034 1 23 . 1 1 15 15 VAL H H 1 8.259 0.020 . . . . . . 15 VAL H . 7034 1 24 . 1 1 15 15 VAL HA H 1 4.062 0.020 . . . . . . 15 VAL HA . 7034 1 25 . 1 1 15 15 VAL HB H 1 1.988 0.020 . . . . . . 15 VAL HB . 7034 1 26 . 1 1 15 15 VAL HG11 H 1 0.840 0.020 . . . . . . 15 VAL QG1 . 7034 1 27 . 1 1 15 15 VAL HG12 H 1 0.840 0.020 . . . . . . 15 VAL QG1 . 7034 1 28 . 1 1 15 15 VAL HG13 H 1 0.840 0.020 . . . . . . 15 VAL QG1 . 7034 1 29 . 1 1 15 15 VAL HG21 H 1 0.866 0.020 . . . . . . 15 VAL QG2 . 7034 1 30 . 1 1 15 15 VAL HG22 H 1 0.866 0.020 . . . . . . 15 VAL QG2 . 7034 1 31 . 1 1 15 15 VAL HG23 H 1 0.866 0.020 . . . . . . 15 VAL QG2 . 7034 1 32 . 1 1 15 15 VAL C C 13 175.988 0.200 . . . . . . 15 VAL C . 7034 1 33 . 1 1 15 15 VAL CA C 13 59.464 0.200 . . . . . . 15 VAL CA . 7034 1 34 . 1 1 15 15 VAL CB C 13 30.023 0.200 . . . . . . 15 VAL CB . 7034 1 35 . 1 1 15 15 VAL CG1 C 13 17.828 0.200 . . . . . . 15 VAL CG1 . 7034 1 36 . 1 1 15 15 VAL CG2 C 13 18.405 0.200 . . . . . . 15 VAL CG2 . 7034 1 37 . 1 1 15 15 VAL N N 15 122.817 0.200 . . . . . . 15 VAL N . 7034 1 38 . 1 1 16 16 GLU H H 1 8.524 0.020 . . . . . . 16 GLU H . 7034 1 39 . 1 1 16 16 GLU HA H 1 4.250 0.020 . . . . . . 16 GLU HA . 7034 1 40 . 1 1 16 16 GLU HB2 H 1 1.996 0.020 . . . . . . 16 GLU HB2 . 7034 1 41 . 1 1 16 16 GLU HB3 H 1 1.881 0.020 . . . . . . 16 GLU HB3 . 7034 1 42 . 1 1 16 16 GLU HG2 H 1 2.212 0.020 . . . . . . 16 GLU QG . 7034 1 43 . 1 1 16 16 GLU HG3 H 1 2.212 0.020 . . . . . . 16 GLU QG . 7034 1 44 . 1 1 16 16 GLU C C 13 176.648 0.200 . . . . . . 16 GLU C . 7034 1 45 . 1 1 16 16 GLU CA C 13 53.735 0.200 . . . . . . 16 GLU CA . 7034 1 46 . 1 1 16 16 GLU CB C 13 27.660 0.200 . . . . . . 16 GLU CB . 7034 1 47 . 1 1 16 16 GLU CG C 13 33.456 0.200 . . . . . . 16 GLU CG . 7034 1 48 . 1 1 16 16 GLU N N 15 124.805 0.200 . . . . . . 16 GLU N . 7034 1 49 . 1 1 17 17 GLY H H 1 8.328 0.020 . . . . . . 17 GLY H . 7034 1 50 . 1 1 17 17 GLY HA2 H 1 3.859 0.020 . . . . . . 17 GLY HA2 . 7034 1 51 . 1 1 17 17 GLY HA3 H 1 3.792 0.020 . . . . . . 17 GLY HA3 . 7034 1 52 . 1 1 17 17 GLY C C 13 173.861 0.200 . . . . . . 17 GLY C . 7034 1 53 . 1 1 17 17 GLY CA C 13 42.342 0.200 . . . . . . 17 GLY CA . 7034 1 54 . 1 1 17 17 GLY N N 15 110.082 0.200 . . . . . . 17 GLY N . 7034 1 55 . 1 1 18 18 GLY H H 1 7.878 0.020 . . . . . . 18 GLY H . 7034 1 56 . 1 1 18 18 GLY HA2 H 1 3.644 0.020 . . . . . . 18 GLY HA2 . 7034 1 57 . 1 1 18 18 GLY HA3 H 1 3.562 0.020 . . . . . . 18 GLY HA3 . 7034 1 58 . 1 1 18 18 GLY C C 13 172.224 0.200 . . . . . . 18 GLY C . 7034 1 59 . 1 1 18 18 GLY CA C 13 42.022 0.200 . . . . . . 18 GLY CA . 7034 1 60 . 1 1 18 18 GLY N N 15 107.893 0.200 . . . . . . 18 GLY N . 7034 1 61 . 1 1 19 19 TYR H H 1 8.286 0.020 . . . . . . 19 TYR H . 7034 1 62 . 1 1 19 19 TYR HA H 1 4.179 0.020 . . . . . . 19 TYR HA . 7034 1 63 . 1 1 19 19 TYR HB2 H 1 2.421 0.020 . . . . . . 19 TYR HB2 . 7034 1 64 . 1 1 19 19 TYR HB3 H 1 1.376 0.020 . . . . . . 19 TYR HB3 . 7034 1 65 . 1 1 19 19 TYR HD1 H 1 6.759 0.020 . . . . . . 19 TYR QD . 7034 1 66 . 1 1 19 19 TYR HD2 H 1 6.759 0.020 . . . . . . 19 TYR QD . 7034 1 67 . 1 1 19 19 TYR HE1 H 1 6.705 0.020 . . . . . . 19 TYR QE . 7034 1 68 . 1 1 19 19 TYR HE2 H 1 6.705 0.020 . . . . . . 19 TYR QE . 7034 1 69 . 1 1 19 19 TYR C C 13 174.691 0.200 . . . . . . 19 TYR C . 7034 1 70 . 1 1 19 19 TYR CA C 13 55.144 0.200 . . . . . . 19 TYR CA . 7034 1 71 . 1 1 19 19 TYR CB C 13 35.685 0.200 . . . . . . 19 TYR CB . 7034 1 72 . 1 1 19 19 TYR N N 15 120.786 0.200 . . . . . . 19 TYR N . 7034 1 73 . 1 1 20 20 GLU H H 1 8.261 0.020 . . . . . . 20 GLU H . 7034 1 74 . 1 1 20 20 GLU HA H 1 4.744 0.020 . . . . . . 20 GLU HA . 7034 1 75 . 1 1 20 20 GLU HB2 H 1 2.009 0.020 . . . . . . 20 GLU HB2 . 7034 1 76 . 1 1 20 20 GLU HB3 H 1 1.805 0.020 . . . . . . 20 GLU HB3 . 7034 1 77 . 1 1 20 20 GLU HG2 H 1 2.102 0.020 . . . . . . 20 GLU HG2 . 7034 1 78 . 1 1 20 20 GLU HG3 H 1 2.028 0.020 . . . . . . 20 GLU HG3 . 7034 1 79 . 1 1 20 20 GLU C C 13 174.980 0.200 . . . . . . 20 GLU C . 7034 1 80 . 1 1 20 20 GLU CA C 13 51.861 0.200 . . . . . . 20 GLU CA . 7034 1 81 . 1 1 20 20 GLU CB C 13 29.276 0.200 . . . . . . 20 GLU CB . 7034 1 82 . 1 1 20 20 GLU CG C 13 33.553 0.200 . . . . . . 20 GLU CG . 7034 1 83 . 1 1 20 20 GLU N N 15 122.042 0.200 . . . . . . 20 GLU N . 7034 1 84 . 1 1 21 21 CYS H H 1 8.837 0.020 . . . . . . 21 CYS H . 7034 1 85 . 1 1 21 21 CYS HA H 1 4.657 0.020 . . . . . . 21 CYS HA . 7034 1 86 . 1 1 21 21 CYS HB2 H 1 3.538 0.020 . . . . . . 21 CYS HB2 . 7034 1 87 . 1 1 21 21 CYS HB3 H 1 3.023 0.020 . . . . . . 21 CYS HB3 . 7034 1 88 . 1 1 21 21 CYS C C 13 175.638 0.200 . . . . . . 21 CYS C . 7034 1 89 . 1 1 21 21 CYS CA C 13 58.079 0.200 . . . . . . 21 CYS CA . 7034 1 90 . 1 1 21 21 CYS CB C 13 27.718 0.200 . . . . . . 21 CYS CB . 7034 1 91 . 1 1 21 21 CYS N N 15 127.652 0.200 . . . . . . 21 CYS N . 7034 1 92 . 1 1 22 22 LYS H H 1 8.877 0.020 . . . . . . 22 LYS H . 7034 1 93 . 1 1 22 22 LYS HA H 1 4.245 0.020 . . . . . . 22 LYS HA . 7034 1 94 . 1 1 22 22 LYS HB2 H 1 1.365 0.020 . . . . . . 22 LYS HB2 . 7034 1 95 . 1 1 22 22 LYS HB3 H 1 1.167 0.020 . . . . . . 22 LYS HB3 . 7034 1 96 . 1 1 22 22 LYS HG2 H 1 1.278 0.020 . . . . . . 22 LYS QG . 7034 1 97 . 1 1 22 22 LYS HG3 H 1 1.278 0.020 . . . . . . 22 LYS QG . 7034 1 98 . 1 1 22 22 LYS HD2 H 1 1.593 0.020 . . . . . . 22 LYS QD . 7034 1 99 . 1 1 22 22 LYS HD3 H 1 1.593 0.020 . . . . . . 22 LYS QD . 7034 1 100 . 1 1 22 22 LYS HE2 H 1 2.958 0.020 . . . . . . 22 LYS QE . 7034 1 101 . 1 1 22 22 LYS HE3 H 1 2.958 0.020 . . . . . . 22 LYS QE . 7034 1 102 . 1 1 22 22 LYS C C 13 177.302 0.200 . . . . . . 22 LYS C . 7034 1 103 . 1 1 22 22 LYS CA C 13 54.137 0.200 . . . . . . 22 LYS CA . 7034 1 104 . 1 1 22 22 LYS CB C 13 29.524 0.200 . . . . . . 22 LYS CB . 7034 1 105 . 1 1 22 22 LYS CG C 13 22.011 0.200 . . . . . . 22 LYS CG . 7034 1 106 . 1 1 22 22 LYS CD C 13 26.081 0.200 . . . . . . 22 LYS CD . 7034 1 107 . 1 1 22 22 LYS CE C 13 39.444 0.200 . . . . . . 22 LYS CE . 7034 1 108 . 1 1 22 22 LYS N N 15 126.064 0.200 . . . . . . 22 LYS N . 7034 1 109 . 1 1 23 23 TYR H H 1 9.461 0.020 . . . . . . 23 TYR H . 7034 1 110 . 1 1 23 23 TYR HA H 1 4.482 0.020 . . . . . . 23 TYR HA . 7034 1 111 . 1 1 23 23 TYR HB2 H 1 2.740 0.020 . . . . . . 23 TYR QB . 7034 1 112 . 1 1 23 23 TYR HB3 H 1 2.740 0.020 . . . . . . 23 TYR QB . 7034 1 113 . 1 1 23 23 TYR HD1 H 1 6.920 0.020 . . . . . . 23 TYR QD . 7034 1 114 . 1 1 23 23 TYR HD2 H 1 6.920 0.020 . . . . . . 23 TYR QD . 7034 1 115 . 1 1 23 23 TYR HE1 H 1 6.764 0.020 . . . . . . 23 TYR QE . 7034 1 116 . 1 1 23 23 TYR HE2 H 1 6.764 0.020 . . . . . . 23 TYR QE . 7034 1 117 . 1 1 23 23 TYR C C 13 174.847 0.200 . . . . . . 23 TYR C . 7034 1 118 . 1 1 23 23 TYR CA C 13 55.512 0.200 . . . . . . 23 TYR CA . 7034 1 119 . 1 1 23 23 TYR CB C 13 35.312 0.200 . . . . . . 23 TYR CB . 7034 1 120 . 1 1 23 23 TYR N N 15 120.566 0.200 . . . . . . 23 TYR N . 7034 1 121 . 1 1 24 24 CYS H H 1 7.986 0.020 . . . . . . 24 CYS H . 7034 1 122 . 1 1 24 24 CYS HA H 1 5.040 0.020 . . . . . . 24 CYS HA . 7034 1 123 . 1 1 24 24 CYS HB2 H 1 3.530 0.020 . . . . . . 24 CYS HB2 . 7034 1 124 . 1 1 24 24 CYS HB3 H 1 3.405 0.020 . . . . . . 24 CYS HB3 . 7034 1 125 . 1 1 24 24 CYS CA C 13 56.024 0.200 . . . . . . 24 CYS CA . 7034 1 126 . 1 1 24 24 CYS CB C 13 26.748 0.200 . . . . . . 24 CYS CB . 7034 1 127 . 1 1 24 24 CYS N N 15 119.708 0.200 . . . . . . 24 CYS N . 7034 1 128 . 1 1 27 27 GLN HA H 1 5.088 0.020 . . . . . . 27 GLN HA . 7034 1 129 . 1 1 27 27 GLN HB2 H 1 1.910 0.020 . . . . . . 27 GLN HB2 . 7034 1 130 . 1 1 27 27 GLN HB3 H 1 1.757 0.020 . . . . . . 27 GLN HB3 . 7034 1 131 . 1 1 27 27 GLN HG2 H 1 2.209 0.020 . . . . . . 27 GLN HG2 . 7034 1 132 . 1 1 27 27 GLN HG3 H 1 2.151 0.020 . . . . . . 27 GLN HG3 . 7034 1 133 . 1 1 27 27 GLN HE21 H 1 6.650 0.020 . . . . . . 27 GLN HE21 . 7034 1 134 . 1 1 27 27 GLN HE22 H 1 7.436 0.020 . . . . . . 27 GLN HE22 . 7034 1 135 . 1 1 27 27 GLN C C 13 173.306 0.200 . . . . . . 27 GLN C . 7034 1 136 . 1 1 27 27 GLN CA C 13 51.070 0.200 . . . . . . 27 GLN CA . 7034 1 137 . 1 1 27 27 GLN CB C 13 29.642 0.200 . . . . . . 27 GLN CB . 7034 1 138 . 1 1 27 27 GLN CG C 13 30.509 0.200 . . . . . . 27 GLN CG . 7034 1 139 . 1 1 27 27 GLN NE2 N 15 111.113 0.200 . . . . . . 27 GLN NE2 . 7034 1 140 . 1 1 28 28 THR H H 1 8.277 0.020 . . . . . . 28 THR H . 7034 1 141 . 1 1 28 28 THR HA H 1 4.866 0.020 . . . . . . 28 THR HA . 7034 1 142 . 1 1 28 28 THR HB H 1 4.173 0.020 . . . . . . 28 THR HB . 7034 1 143 . 1 1 28 28 THR HG21 H 1 1.383 0.020 . . . . . . 28 THR QG2 . 7034 1 144 . 1 1 28 28 THR HG22 H 1 1.383 0.020 . . . . . . 28 THR QG2 . 7034 1 145 . 1 1 28 28 THR HG23 H 1 1.383 0.020 . . . . . . 28 THR QG2 . 7034 1 146 . 1 1 28 28 THR CA C 13 55.473 0.200 . . . . . . 28 THR CA . 7034 1 147 . 1 1 28 28 THR CB C 13 66.530 0.200 . . . . . . 28 THR CB . 7034 1 148 . 1 1 28 28 THR CG2 C 13 19.014 0.200 . . . . . . 28 THR CG2 . 7034 1 149 . 1 1 28 28 THR N N 15 115.984 0.200 . . . . . . 28 THR N . 7034 1 150 . 1 1 29 29 PRO HA H 1 4.733 0.020 . . . . . . 29 PRO HA . 7034 1 151 . 1 1 29 29 PRO HB2 H 1 2.292 0.020 . . . . . . 29 PRO HB2 . 7034 1 152 . 1 1 29 29 PRO HB3 H 1 2.096 0.020 . . . . . . 29 PRO HB3 . 7034 1 153 . 1 1 29 29 PRO HG2 H 1 1.997 0.020 . . . . . . 29 PRO QG . 7034 1 154 . 1 1 29 29 PRO HG3 H 1 1.997 0.020 . . . . . . 29 PRO QG . 7034 1 155 . 1 1 29 29 PRO HD2 H 1 4.003 0.020 . . . . . . 29 PRO HD2 . 7034 1 156 . 1 1 29 29 PRO HD3 H 1 3.725 0.020 . . . . . . 29 PRO HD3 . 7034 1 157 . 1 1 29 29 PRO C C 13 175.956 0.200 . . . . . . 29 PRO C . 7034 1 158 . 1 1 29 29 PRO CA C 13 60.575 0.200 . . . . . . 29 PRO CA . 7034 1 159 . 1 1 29 29 PRO CB C 13 29.627 0.200 . . . . . . 29 PRO CB . 7034 1 160 . 1 1 29 29 PRO CG C 13 23.971 0.200 . . . . . . 29 PRO CG . 7034 1 161 . 1 1 29 29 PRO CD C 13 48.980 0.200 . . . . . . 29 PRO CD . 7034 1 162 . 1 1 30 30 ASP H H 1 8.262 0.020 . . . . . . 30 ASP H . 7034 1 163 . 1 1 30 30 ASP HA H 1 4.932 0.020 . . . . . . 30 ASP HA . 7034 1 164 . 1 1 30 30 ASP HB2 H 1 3.036 0.020 . . . . . . 30 ASP HB2 . 7034 1 165 . 1 1 30 30 ASP HB3 H 1 2.582 0.020 . . . . . . 30 ASP HB3 . 7034 1 166 . 1 1 30 30 ASP C C 13 175.446 0.200 . . . . . . 30 ASP C . 7034 1 167 . 1 1 30 30 ASP CA C 13 50.799 0.200 . . . . . . 30 ASP CA . 7034 1 168 . 1 1 30 30 ASP CB C 13 41.019 0.200 . . . . . . 30 ASP CB . 7034 1 169 . 1 1 30 30 ASP N N 15 121.564 0.200 . . . . . . 30 ASP N . 7034 1 170 . 1 1 31 31 LEU H H 1 9.072 0.020 . . . . . . 31 LEU H . 7034 1 171 . 1 1 31 31 LEU HA H 1 3.470 0.020 . . . . . . 31 LEU HA . 7034 1 172 . 1 1 31 31 LEU HB2 H 1 1.671 0.020 . . . . . . 31 LEU HB2 . 7034 1 173 . 1 1 31 31 LEU HB3 H 1 1.521 0.020 . . . . . . 31 LEU HB3 . 7034 1 174 . 1 1 31 31 LEU HG H 1 1.419 0.020 . . . . . . 31 LEU HG . 7034 1 175 . 1 1 31 31 LEU HD11 H 1 0.518 0.020 . . . . . . 31 LEU QD1 . 7034 1 176 . 1 1 31 31 LEU HD12 H 1 0.518 0.020 . . . . . . 31 LEU QD1 . 7034 1 177 . 1 1 31 31 LEU HD13 H 1 0.518 0.020 . . . . . . 31 LEU QD1 . 7034 1 178 . 1 1 31 31 LEU HD21 H 1 0.810 0.020 . . . . . . 31 LEU QD2 . 7034 1 179 . 1 1 31 31 LEU HD22 H 1 0.810 0.020 . . . . . . 31 LEU QD2 . 7034 1 180 . 1 1 31 31 LEU HD23 H 1 0.810 0.020 . . . . . . 31 LEU QD2 . 7034 1 181 . 1 1 31 31 LEU C C 13 178.496 0.200 . . . . . . 31 LEU C . 7034 1 182 . 1 1 31 31 LEU CA C 13 55.323 0.200 . . . . . . 31 LEU CA . 7034 1 183 . 1 1 31 31 LEU CB C 13 38.541 0.200 . . . . . . 31 LEU CB . 7034 1 184 . 1 1 31 31 LEU CG C 13 24.018 0.200 . . . . . . 31 LEU CG . 7034 1 185 . 1 1 31 31 LEU CD1 C 13 19.302 0.200 . . . . . . 31 LEU CD1 . 7034 1 186 . 1 1 31 31 LEU CD2 C 13 22.963 0.200 . . . . . . 31 LEU CD2 . 7034 1 187 . 1 1 31 31 LEU N N 15 129.193 0.200 . . . . . . 31 LEU N . 7034 1 188 . 1 1 32 32 ASN H H 1 8.404 0.020 . . . . . . 32 ASN H . 7034 1 189 . 1 1 32 32 ASN HA H 1 4.427 0.020 . . . . . . 32 ASN HA . 7034 1 190 . 1 1 32 32 ASN HB2 H 1 3.011 0.020 . . . . . . 32 ASN HB2 . 7034 1 191 . 1 1 32 32 ASN HB3 H 1 2.782 0.020 . . . . . . 32 ASN HB3 . 7034 1 192 . 1 1 32 32 ASN HD21 H 1 6.995 0.020 . . . . . . 32 ASN HD21 . 7034 1 193 . 1 1 32 32 ASN HD22 H 1 7.931 0.020 . . . . . . 32 ASN HD22 . 7034 1 194 . 1 1 32 32 ASN C C 13 178.307 0.200 . . . . . . 32 ASN C . 7034 1 195 . 1 1 32 32 ASN CA C 13 53.790 0.200 . . . . . . 32 ASN CA . 7034 1 196 . 1 1 32 32 ASN CB C 13 34.907 0.200 . . . . . . 32 ASN CB . 7034 1 197 . 1 1 32 32 ASN N N 15 117.623 0.200 . . . . . . 32 ASN N . 7034 1 198 . 1 1 32 32 ASN ND2 N 15 114.122 0.200 . . . . . . 32 ASN ND2 . 7034 1 199 . 1 1 33 33 MET H H 1 8.157 0.020 . . . . . . 33 MET H . 7034 1 200 . 1 1 33 33 MET HA H 1 4.539 0.020 . . . . . . 33 MET HA . 7034 1 201 . 1 1 33 33 MET HB2 H 1 2.545 0.020 . . . . . . 33 MET HB2 . 7034 1 202 . 1 1 33 33 MET HB3 H 1 2.420 0.020 . . . . . . 33 MET HB3 . 7034 1 203 . 1 1 33 33 MET HG2 H 1 2.904 0.020 . . . . . . 33 MET HG2 . 7034 1 204 . 1 1 33 33 MET HG3 H 1 2.838 0.020 . . . . . . 33 MET HG3 . 7034 1 205 . 1 1 33 33 MET C C 13 178.884 0.200 . . . . . . 33 MET C . 7034 1 206 . 1 1 33 33 MET CA C 13 55.005 0.200 . . . . . . 33 MET CA . 7034 1 207 . 1 1 33 33 MET CB C 13 29.492 0.200 . . . . . . 33 MET CB . 7034 1 208 . 1 1 33 33 MET CG C 13 30.012 0.200 . . . . . . 33 MET CG . 7034 1 209 . 1 1 33 33 MET N N 15 120.086 0.200 . . . . . . 33 MET N . 7034 1 210 . 1 1 34 34 PHE H H 1 8.742 0.020 . . . . . . 34 PHE H . 7034 1 211 . 1 1 34 34 PHE HA H 1 4.386 0.020 . . . . . . 34 PHE HA . 7034 1 212 . 1 1 34 34 PHE HB2 H 1 3.022 0.020 . . . . . . 34 PHE QB . 7034 1 213 . 1 1 34 34 PHE HB3 H 1 3.022 0.020 . . . . . . 34 PHE QB . 7034 1 214 . 1 1 34 34 PHE HD1 H 1 7.015 0.020 . . . . . . 34 PHE QD . 7034 1 215 . 1 1 34 34 PHE HD2 H 1 7.015 0.020 . . . . . . 34 PHE QD . 7034 1 216 . 1 1 34 34 PHE C C 13 176.309 0.200 . . . . . . 34 PHE C . 7034 1 217 . 1 1 34 34 PHE CA C 13 59.538 0.200 . . . . . . 34 PHE CA . 7034 1 218 . 1 1 34 34 PHE CB C 13 36.124 0.200 . . . . . . 34 PHE CB . 7034 1 219 . 1 1 34 34 PHE N N 15 122.303 0.200 . . . . . . 34 PHE N . 7034 1 220 . 1 1 35 35 THR H H 1 8.674 0.020 . . . . . . 35 THR H . 7034 1 221 . 1 1 35 35 THR HA H 1 3.605 0.020 . . . . . . 35 THR HA . 7034 1 222 . 1 1 35 35 THR HB H 1 4.206 0.020 . . . . . . 35 THR HB . 7034 1 223 . 1 1 35 35 THR HG21 H 1 1.161 0.020 . . . . . . 35 THR QG2 . 7034 1 224 . 1 1 35 35 THR HG22 H 1 1.161 0.020 . . . . . . 35 THR QG2 . 7034 1 225 . 1 1 35 35 THR HG23 H 1 1.161 0.020 . . . . . . 35 THR QG2 . 7034 1 226 . 1 1 35 35 THR C C 13 176.396 0.200 . . . . . . 35 THR C . 7034 1 227 . 1 1 35 35 THR CA C 13 63.511 0.200 . . . . . . 35 THR CA . 7034 1 228 . 1 1 35 35 THR CB C 13 65.782 0.200 . . . . . . 35 THR CB . 7034 1 229 . 1 1 35 35 THR CG2 C 13 18.909 0.200 . . . . . . 35 THR CG2 . 7034 1 230 . 1 1 35 35 THR N N 15 114.162 0.200 . . . . . . 35 THR N . 7034 1 231 . 1 1 36 36 PHE H H 1 7.803 0.020 . . . . . . 36 PHE H . 7034 1 232 . 1 1 36 36 PHE HA H 1 4.215 0.020 . . . . . . 36 PHE HA . 7034 1 233 . 1 1 36 36 PHE HB2 H 1 3.260 0.020 . . . . . . 36 PHE HB2 . 7034 1 234 . 1 1 36 36 PHE HB3 H 1 3.090 0.020 . . . . . . 36 PHE HB3 . 7034 1 235 . 1 1 36 36 PHE HD1 H 1 7.229 0.020 . . . . . . 36 PHE QD . 7034 1 236 . 1 1 36 36 PHE HD2 H 1 7.229 0.020 . . . . . . 36 PHE QD . 7034 1 237 . 1 1 36 36 PHE C C 13 178.204 0.200 . . . . . . 36 PHE C . 7034 1 238 . 1 1 36 36 PHE CA C 13 58.267 0.200 . . . . . . 36 PHE CA . 7034 1 239 . 1 1 36 36 PHE CB C 13 36.231 0.200 . . . . . . 36 PHE CB . 7034 1 240 . 1 1 36 36 PHE N N 15 120.546 0.200 . . . . . . 36 PHE N . 7034 1 241 . 1 1 37 37 HIS H H 1 8.425 0.020 . . . . . . 37 HIS H . 7034 1 242 . 1 1 37 37 HIS HA H 1 3.654 0.020 . . . . . . 37 HIS HA . 7034 1 243 . 1 1 37 37 HIS HB2 H 1 3.335 0.020 . . . . . . 37 HIS HB2 . 7034 1 244 . 1 1 37 37 HIS HB3 H 1 2.523 0.020 . . . . . . 37 HIS HB3 . 7034 1 245 . 1 1 37 37 HIS C C 13 175.693 0.200 . . . . . . 37 HIS C . 7034 1 246 . 1 1 37 37 HIS CA C 13 57.369 0.200 . . . . . . 37 HIS CA . 7034 1 247 . 1 1 37 37 HIS CB C 13 25.301 0.200 . . . . . . 37 HIS CB . 7034 1 248 . 1 1 37 37 HIS N N 15 120.479 0.200 . . . . . . 37 HIS N . 7034 1 249 . 1 1 38 38 VAL H H 1 7.949 0.020 . . . . . . 38 VAL H . 7034 1 250 . 1 1 38 38 VAL HA H 1 3.176 0.020 . . . . . . 38 VAL HA . 7034 1 251 . 1 1 38 38 VAL HB H 1 1.872 0.020 . . . . . . 38 VAL HB . 7034 1 252 . 1 1 38 38 VAL HG11 H 1 0.809 0.020 . . . . . . 38 VAL QG1 . 7034 1 253 . 1 1 38 38 VAL HG12 H 1 0.809 0.020 . . . . . . 38 VAL QG1 . 7034 1 254 . 1 1 38 38 VAL HG13 H 1 0.809 0.020 . . . . . . 38 VAL QG1 . 7034 1 255 . 1 1 38 38 VAL HG21 H 1 0.953 0.020 . . . . . . 38 VAL QG2 . 7034 1 256 . 1 1 38 38 VAL HG22 H 1 0.953 0.020 . . . . . . 38 VAL QG2 . 7034 1 257 . 1 1 38 38 VAL HG23 H 1 0.953 0.020 . . . . . . 38 VAL QG2 . 7034 1 258 . 1 1 38 38 VAL C C 13 177.399 0.200 . . . . . . 38 VAL C . 7034 1 259 . 1 1 38 38 VAL CA C 13 64.713 0.200 . . . . . . 38 VAL CA . 7034 1 260 . 1 1 38 38 VAL CB C 13 28.703 0.200 . . . . . . 38 VAL CB . 7034 1 261 . 1 1 38 38 VAL CG1 C 13 19.507 0.200 . . . . . . 38 VAL CG1 . 7034 1 262 . 1 1 38 38 VAL CG2 C 13 20.481 0.200 . . . . . . 38 VAL CG2 . 7034 1 263 . 1 1 38 38 VAL N N 15 118.132 0.200 . . . . . . 38 VAL N . 7034 1 264 . 1 1 39 39 ASP H H 1 7.654 0.020 . . . . . . 39 ASP H . 7034 1 265 . 1 1 39 39 ASP HA H 1 4.132 0.020 . . . . . . 39 ASP HA . 7034 1 266 . 1 1 39 39 ASP HB2 H 1 2.524 0.020 . . . . . . 39 ASP HB2 . 7034 1 267 . 1 1 39 39 ASP HB3 H 1 2.384 0.020 . . . . . . 39 ASP HB3 . 7034 1 268 . 1 1 39 39 ASP C C 13 177.366 0.200 . . . . . . 39 ASP C . 7034 1 269 . 1 1 39 39 ASP CA C 13 54.136 0.200 . . . . . . 39 ASP CA . 7034 1 270 . 1 1 39 39 ASP CB C 13 38.541 0.200 . . . . . . 39 ASP CB . 7034 1 271 . 1 1 39 39 ASP N N 15 116.605 0.200 . . . . . . 39 ASP N . 7034 1 272 . 1 1 40 40 SER H H 1 7.587 0.020 . . . . . . 40 SER H . 7034 1 273 . 1 1 40 40 SER HA H 1 3.993 0.020 . . . . . . 40 SER HA . 7034 1 274 . 1 1 40 40 SER HB2 H 1 3.340 0.020 . . . . . . 40 SER HB2 . 7034 1 275 . 1 1 40 40 SER HB3 H 1 3.251 0.020 . . . . . . 40 SER HB3 . 7034 1 276 . 1 1 40 40 SER C C 13 176.091 0.200 . . . . . . 40 SER C . 7034 1 277 . 1 1 40 40 SER CA C 13 57.250 0.200 . . . . . . 40 SER CA . 7034 1 278 . 1 1 40 40 SER CB C 13 60.981 0.200 . . . . . . 40 SER CB . 7034 1 279 . 1 1 40 40 SER N N 15 110.263 0.200 . . . . . . 40 SER N . 7034 1 280 . 1 1 41 41 GLU H H 1 8.023 0.020 . . . . . . 41 GLU H . 7034 1 281 . 1 1 41 41 GLU HA H 1 4.031 0.020 . . . . . . 41 GLU HA . 7034 1 282 . 1 1 41 41 GLU HB2 H 1 1.010 0.020 . . . . . . 41 GLU QB . 7034 1 283 . 1 1 41 41 GLU HB3 H 1 1.010 0.020 . . . . . . 41 GLU QB . 7034 1 284 . 1 1 41 41 GLU HG2 H 1 1.753 0.020 . . . . . . 41 GLU QG . 7034 1 285 . 1 1 41 41 GLU HG3 H 1 1.753 0.020 . . . . . . 41 GLU QG . 7034 1 286 . 1 1 41 41 GLU C C 13 176.192 0.200 . . . . . . 41 GLU C . 7034 1 287 . 1 1 41 41 GLU CA C 13 53.547 0.200 . . . . . . 41 GLU CA . 7034 1 288 . 1 1 41 41 GLU CB C 13 25.953 0.200 . . . . . . 41 GLU CB . 7034 1 289 . 1 1 41 41 GLU CG C 13 33.145 0.200 . . . . . . 41 GLU CG . 7034 1 290 . 1 1 41 41 GLU N N 15 118.572 0.200 . . . . . . 41 GLU N . 7034 1 291 . 1 1 42 42 HIS H H 1 7.378 0.020 . . . . . . 42 HIS H . 7034 1 292 . 1 1 42 42 HIS HA H 1 5.207 0.020 . . . . . . 42 HIS HA . 7034 1 293 . 1 1 42 42 HIS HB2 H 1 3.144 0.020 . . . . . . 42 HIS HB2 . 7034 1 294 . 1 1 42 42 HIS HB3 H 1 2.572 0.020 . . . . . . 42 HIS HB3 . 7034 1 295 . 1 1 42 42 HIS CA C 13 48.607 0.200 . . . . . . 42 HIS CA . 7034 1 296 . 1 1 42 42 HIS CB C 13 25.369 0.200 . . . . . . 42 HIS CB . 7034 1 297 . 1 1 42 42 HIS N N 15 115.102 0.200 . . . . . . 42 HIS N . 7034 1 298 . 1 1 43 43 PRO HA H 1 4.315 0.020 . . . . . . 43 PRO HA . 7034 1 299 . 1 1 43 43 PRO HB2 H 1 2.242 0.020 . . . . . . 43 PRO HB2 . 7034 1 300 . 1 1 43 43 PRO HB3 H 1 1.854 0.020 . . . . . . 43 PRO HB3 . 7034 1 301 . 1 1 43 43 PRO HG2 H 1 1.865 0.020 . . . . . . 43 PRO HG2 . 7034 1 302 . 1 1 43 43 PRO HG3 H 1 1.762 0.020 . . . . . . 43 PRO HG3 . 7034 1 303 . 1 1 43 43 PRO HD2 H 1 3.344 0.020 . . . . . . 43 PRO HD2 . 7034 1 304 . 1 1 43 43 PRO HD3 H 1 3.013 0.020 . . . . . . 43 PRO HD3 . 7034 1 305 . 1 1 43 43 PRO CA C 13 61.664 0.200 . . . . . . 43 PRO CA . 7034 1 306 . 1 1 43 43 PRO CB C 13 28.798 0.200 . . . . . . 43 PRO CB . 7034 1 307 . 1 1 43 43 PRO CG C 13 24.577 0.200 . . . . . . 43 PRO CG . 7034 1 308 . 1 1 43 43 PRO CD C 13 47.876 0.200 . . . . . . 43 PRO CD . 7034 1 309 . 1 1 44 44 ASN H H 1 8.499 0.020 . . . . . . 44 ASN H . 7034 1 310 . 1 1 44 44 ASN HA H 1 4.559 0.020 . . . . . . 44 ASN HA . 7034 1 311 . 1 1 44 44 ASN HB2 H 1 2.750 0.020 . . . . . . 44 ASN QB . 7034 1 312 . 1 1 44 44 ASN HB3 H 1 2.750 0.020 . . . . . . 44 ASN QB . 7034 1 313 . 1 1 44 44 ASN HD21 H 1 6.874 0.020 . . . . . . 44 ASN HD21 . 7034 1 314 . 1 1 44 44 ASN HD22 H 1 7.607 0.020 . . . . . . 44 ASN HD22 . 7034 1 315 . 1 1 44 44 ASN C C 13 175.656 0.200 . . . . . . 44 ASN C . 7034 1 316 . 1 1 44 44 ASN CA C 13 51.287 0.200 . . . . . . 44 ASN CA . 7034 1 317 . 1 1 44 44 ASN CB C 13 35.323 0.200 . . . . . . 44 ASN CB . 7034 1 318 . 1 1 44 44 ASN N N 15 115.621 0.200 . . . . . . 44 ASN N . 7034 1 319 . 1 1 44 44 ASN ND2 N 15 113.808 0.200 . . . . . . 44 ASN ND2 . 7034 1 320 . 1 1 45 45 VAL H H 1 7.598 0.020 . . . . . . 45 VAL H . 7034 1 321 . 1 1 45 45 VAL HA H 1 3.967 0.020 . . . . . . 45 VAL HA . 7034 1 322 . 1 1 45 45 VAL HB H 1 1.943 0.020 . . . . . . 45 VAL HB . 7034 1 323 . 1 1 45 45 VAL HG11 H 1 0.551 0.020 . . . . . . 45 VAL QG1 . 7034 1 324 . 1 1 45 45 VAL HG12 H 1 0.551 0.020 . . . . . . 45 VAL QG1 . 7034 1 325 . 1 1 45 45 VAL HG13 H 1 0.551 0.020 . . . . . . 45 VAL QG1 . 7034 1 326 . 1 1 45 45 VAL HG21 H 1 0.605 0.020 . . . . . . 45 VAL QG2 . 7034 1 327 . 1 1 45 45 VAL HG22 H 1 0.605 0.020 . . . . . . 45 VAL QG2 . 7034 1 328 . 1 1 45 45 VAL HG23 H 1 0.605 0.020 . . . . . . 45 VAL QG2 . 7034 1 329 . 1 1 45 45 VAL CA C 13 60.293 0.200 . . . . . . 45 VAL CA . 7034 1 330 . 1 1 45 45 VAL CB C 13 29.375 0.200 . . . . . . 45 VAL CB . 7034 1 331 . 1 1 45 45 VAL CG1 C 13 17.535 0.200 . . . . . . 45 VAL CG1 . 7034 1 332 . 1 1 45 45 VAL CG2 C 13 18.059 0.200 . . . . . . 45 VAL CG2 . 7034 1 333 . 1 1 45 45 VAL N N 15 118.796 0.200 . . . . . . 45 VAL N . 7034 1 334 . 1 1 46 46 VAL H H 1 7.900 0.020 . . . . . . 46 VAL H . 7034 1 335 . 1 1 46 46 VAL HA H 1 4.046 0.020 . . . . . . 46 VAL HA . 7034 1 336 . 1 1 46 46 VAL HB H 1 2.090 0.020 . . . . . . 46 VAL HB . 7034 1 337 . 1 1 46 46 VAL CA C 13 60.218 0.200 . . . . . . 46 VAL CA . 7034 1 338 . 1 1 46 46 VAL CB C 13 29.492 0.200 . . . . . . 46 VAL CB . 7034 1 339 . 1 1 46 46 VAL N N 15 122.187 0.200 . . . . . . 46 VAL N . 7034 1 340 . 1 1 49 49 SER HA H 1 5.203 0.020 . . . . . . 49 SER HA . 7034 1 341 . 1 1 49 49 SER HB2 H 1 3.784 0.020 . . . . . . 49 SER HB2 . 7034 1 342 . 1 1 49 49 SER HB3 H 1 3.706 0.020 . . . . . . 49 SER HB3 . 7034 1 343 . 1 1 49 49 SER C C 13 173.846 0.200 . . . . . . 49 SER C . 7034 1 344 . 1 1 49 49 SER CA C 13 55.237 0.200 . . . . . . 49 SER CA . 7034 1 345 . 1 1 49 49 SER CB C 13 62.775 0.200 . . . . . . 49 SER CB . 7034 1 346 . 1 1 50 50 SER H H 1 7.998 0.020 . . . . . . 50 SER H . 7034 1 347 . 1 1 50 50 SER HA H 1 4.875 0.020 . . . . . . 50 SER HA . 7034 1 348 . 1 1 50 50 SER HB2 H 1 3.728 0.020 . . . . . . 50 SER HB2 . 7034 1 349 . 1 1 50 50 SER HB3 H 1 3.602 0.020 . . . . . . 50 SER HB3 . 7034 1 350 . 1 1 50 50 SER C C 13 170.955 0.200 . . . . . . 50 SER C . 7034 1 351 . 1 1 50 50 SER CA C 13 55.170 0.200 . . . . . . 50 SER CA . 7034 1 352 . 1 1 50 50 SER CB C 13 63.143 0.200 . . . . . . 50 SER CB . 7034 1 353 . 1 1 50 50 SER N N 15 114.607 0.200 . . . . . . 50 SER N . 7034 1 354 . 1 1 51 51 TYR H H 1 9.238 0.020 . . . . . . 51 TYR H . 7034 1 355 . 1 1 51 51 TYR HA H 1 5.413 0.020 . . . . . . 51 TYR HA . 7034 1 356 . 1 1 51 51 TYR HB2 H 1 2.797 0.020 . . . . . . 51 TYR QB . 7034 1 357 . 1 1 51 51 TYR HB3 H 1 2.797 0.020 . . . . . . 51 TYR QB . 7034 1 358 . 1 1 51 51 TYR HD1 H 1 6.863 0.020 . . . . . . 51 TYR QD . 7034 1 359 . 1 1 51 51 TYR HD2 H 1 6.863 0.020 . . . . . . 51 TYR QD . 7034 1 360 . 1 1 51 51 TYR C C 13 174.653 0.200 . . . . . . 51 TYR C . 7034 1 361 . 1 1 51 51 TYR CA C 13 54.334 0.200 . . . . . . 51 TYR CA . 7034 1 362 . 1 1 51 51 TYR CB C 13 38.615 0.200 . . . . . . 51 TYR CB . 7034 1 363 . 1 1 51 51 TYR N N 15 120.777 0.200 . . . . . . 51 TYR N . 7034 1 364 . 1 1 52 52 VAL H H 1 8.838 0.020 . . . . . . 52 VAL H . 7034 1 365 . 1 1 52 52 VAL HA H 1 5.392 0.020 . . . . . . 52 VAL HA . 7034 1 366 . 1 1 52 52 VAL HB H 1 1.834 0.020 . . . . . . 52 VAL HB . 7034 1 367 . 1 1 52 52 VAL HG11 H 1 0.769 0.020 . . . . . . 52 VAL QG1 . 7034 1 368 . 1 1 52 52 VAL HG12 H 1 0.769 0.020 . . . . . . 52 VAL QG1 . 7034 1 369 . 1 1 52 52 VAL HG13 H 1 0.769 0.020 . . . . . . 52 VAL QG1 . 7034 1 370 . 1 1 52 52 VAL HG21 H 1 0.811 0.020 . . . . . . 52 VAL QG2 . 7034 1 371 . 1 1 52 52 VAL HG22 H 1 0.811 0.020 . . . . . . 52 VAL QG2 . 7034 1 372 . 1 1 52 52 VAL HG23 H 1 0.811 0.020 . . . . . . 52 VAL QG2 . 7034 1 373 . 1 1 52 52 VAL C C 13 175.934 0.200 . . . . . . 52 VAL C . 7034 1 374 . 1 1 52 52 VAL CA C 13 56.043 0.200 . . . . . . 52 VAL CA . 7034 1 375 . 1 1 52 52 VAL CB C 13 34.080 0.200 . . . . . . 52 VAL CB . 7034 1 376 . 1 1 52 52 VAL CG1 C 13 17.529 0.200 . . . . . . 52 VAL CG1 . 7034 1 377 . 1 1 52 52 VAL CG2 C 13 18.872 0.200 . . . . . . 52 VAL CG2 . 7034 1 378 . 1 1 52 52 VAL N N 15 120.132 0.200 . . . . . . 52 VAL N . 7034 1 379 . 1 1 53 53 CYS H H 1 9.262 0.020 . . . . . . 53 CYS H . 7034 1 380 . 1 1 53 53 CYS HA H 1 4.889 0.020 . . . . . . 53 CYS HA . 7034 1 381 . 1 1 53 53 CYS HB2 H 1 2.682 0.020 . . . . . . 53 CYS HB2 . 7034 1 382 . 1 1 53 53 CYS HB3 H 1 3.001 0.020 . . . . . . 53 CYS HB3 . 7034 1 383 . 1 1 53 53 CYS C C 13 176.723 0.200 . . . . . . 53 CYS C . 7034 1 384 . 1 1 53 53 CYS CA C 13 56.559 0.200 . . . . . . 53 CYS CA . 7034 1 385 . 1 1 53 53 CYS CB C 13 26.337 0.200 . . . . . . 53 CYS CB . 7034 1 386 . 1 1 53 53 CYS N N 15 128.499 0.200 . . . . . . 53 CYS N . 7034 1 387 . 1 1 54 54 VAL H H 1 8.636 0.020 . . . . . . 54 VAL H . 7034 1 388 . 1 1 54 54 VAL HA H 1 3.689 0.020 . . . . . . 54 VAL HA . 7034 1 389 . 1 1 54 54 VAL HB H 1 2.195 0.020 . . . . . . 54 VAL HB . 7034 1 390 . 1 1 54 54 VAL HG11 H 1 0.969 0.020 . . . . . . 54 VAL QG1 . 7034 1 391 . 1 1 54 54 VAL HG12 H 1 0.969 0.020 . . . . . . 54 VAL QG1 . 7034 1 392 . 1 1 54 54 VAL HG13 H 1 0.969 0.020 . . . . . . 54 VAL QG1 . 7034 1 393 . 1 1 54 54 VAL HG21 H 1 1.027 0.020 . . . . . . 54 VAL QG2 . 7034 1 394 . 1 1 54 54 VAL HG22 H 1 1.027 0.020 . . . . . . 54 VAL QG2 . 7034 1 395 . 1 1 54 54 VAL HG23 H 1 1.027 0.020 . . . . . . 54 VAL QG2 . 7034 1 396 . 1 1 54 54 VAL C C 13 178.445 0.200 . . . . . . 54 VAL C . 7034 1 397 . 1 1 54 54 VAL CA C 13 63.493 0.200 . . . . . . 54 VAL CA . 7034 1 398 . 1 1 54 54 VAL CB C 13 29.572 0.200 . . . . . . 54 VAL CB . 7034 1 399 . 1 1 54 54 VAL CG1 C 13 18.039 0.200 . . . . . . 54 VAL CG1 . 7034 1 400 . 1 1 54 54 VAL CG2 C 13 19.973 0.200 . . . . . . 54 VAL CG2 . 7034 1 401 . 1 1 54 54 VAL N N 15 130.646 0.200 . . . . . . 54 VAL N . 7034 1 402 . 1 1 55 55 GLU H H 1 8.788 0.020 . . . . . . 55 GLU H . 7034 1 403 . 1 1 55 55 GLU HA H 1 4.185 0.020 . . . . . . 55 GLU HA . 7034 1 404 . 1 1 55 55 GLU HB2 H 1 2.250 0.020 . . . . . . 55 GLU HB2 . 7034 1 405 . 1 1 55 55 GLU HB3 H 1 2.196 0.020 . . . . . . 55 GLU HB3 . 7034 1 406 . 1 1 55 55 GLU HG2 H 1 2.445 0.020 . . . . . . 55 GLU QG . 7034 1 407 . 1 1 55 55 GLU HG3 H 1 2.445 0.020 . . . . . . 55 GLU QG . 7034 1 408 . 1 1 55 55 GLU C C 13 178.400 0.200 . . . . . . 55 GLU C . 7034 1 409 . 1 1 55 55 GLU CA C 13 56.655 0.200 . . . . . . 55 GLU CA . 7034 1 410 . 1 1 55 55 GLU CB C 13 27.091 0.200 . . . . . . 55 GLU CB . 7034 1 411 . 1 1 55 55 GLU CG C 13 33.540 0.200 . . . . . . 55 GLU CG . 7034 1 412 . 1 1 55 55 GLU N N 15 119.757 0.200 . . . . . . 55 GLU N . 7034 1 413 . 1 1 56 56 CYS H H 1 7.374 0.020 . . . . . . 56 CYS H . 7034 1 414 . 1 1 56 56 CYS HA H 1 4.275 0.020 . . . . . . 56 CYS HA . 7034 1 415 . 1 1 56 56 CYS HB2 H 1 3.193 0.020 . . . . . . 56 CYS HB2 . 7034 1 416 . 1 1 56 56 CYS HB3 H 1 2.557 0.020 . . . . . . 56 CYS HB3 . 7034 1 417 . 1 1 56 56 CYS C C 13 175.729 0.200 . . . . . . 56 CYS C . 7034 1 418 . 1 1 56 56 CYS CA C 13 57.458 0.200 . . . . . . 56 CYS CA . 7034 1 419 . 1 1 56 56 CYS CB C 13 28.593 0.200 . . . . . . 56 CYS CB . 7034 1 420 . 1 1 56 56 CYS N N 15 115.914 0.200 . . . . . . 56 CYS N . 7034 1 421 . 1 1 57 57 ASN H H 1 8.324 0.020 . . . . . . 57 ASN H . 7034 1 422 . 1 1 57 57 ASN HA H 1 4.130 0.020 . . . . . . 57 ASN HA . 7034 1 423 . 1 1 57 57 ASN HB2 H 1 3.198 0.020 . . . . . . 57 ASN HB2 . 7034 1 424 . 1 1 57 57 ASN HB3 H 1 2.644 0.020 . . . . . . 57 ASN HB3 . 7034 1 425 . 1 1 57 57 ASN HD21 H 1 6.761 0.020 . . . . . . 57 ASN HD21 . 7034 1 426 . 1 1 57 57 ASN HD22 H 1 7.561 0.020 . . . . . . 57 ASN HD22 . 7034 1 427 . 1 1 57 57 ASN C C 13 173.377 0.200 . . . . . . 57 ASN C . 7034 1 428 . 1 1 57 57 ASN CA C 13 51.555 0.200 . . . . . . 57 ASN CA . 7034 1 429 . 1 1 57 57 ASN CB C 13 34.664 0.200 . . . . . . 57 ASN CB . 7034 1 430 . 1 1 57 57 ASN N N 15 119.040 0.200 . . . . . . 57 ASN N . 7034 1 431 . 1 1 57 57 ASN ND2 N 15 111.698 0.200 . . . . . . 57 ASN ND2 . 7034 1 432 . 1 1 58 58 PHE H H 1 7.257 0.020 . . . . . . 58 PHE H . 7034 1 433 . 1 1 58 58 PHE HA H 1 4.702 0.020 . . . . . . 58 PHE HA . 7034 1 434 . 1 1 58 58 PHE HB2 H 1 2.072 0.020 . . . . . . 58 PHE QB . 7034 1 435 . 1 1 58 58 PHE HB3 H 1 2.072 0.020 . . . . . . 58 PHE QB . 7034 1 436 . 1 1 58 58 PHE HD1 H 1 6.730 0.020 . . . . . . 58 PHE QD . 7034 1 437 . 1 1 58 58 PHE HD2 H 1 6.730 0.020 . . . . . . 58 PHE QD . 7034 1 438 . 1 1 58 58 PHE HE1 H 1 7.085 0.020 . . . . . . 58 PHE QE . 7034 1 439 . 1 1 58 58 PHE HE2 H 1 7.085 0.020 . . . . . . 58 PHE QE . 7034 1 440 . 1 1 58 58 PHE HZ H 1 7.111 0.020 . . . . . . 58 PHE HZ . 7034 1 441 . 1 1 58 58 PHE C C 13 171.637 0.200 . . . . . . 58 PHE C . 7034 1 442 . 1 1 58 58 PHE CA C 13 53.518 0.200 . . . . . . 58 PHE CA . 7034 1 443 . 1 1 58 58 PHE CB C 13 38.952 0.200 . . . . . . 58 PHE CB . 7034 1 444 . 1 1 58 58 PHE N N 15 117.979 0.200 . . . . . . 58 PHE N . 7034 1 445 . 1 1 59 59 LEU H H 1 7.829 0.020 . . . . . . 59 LEU H . 7034 1 446 . 1 1 59 59 LEU HA H 1 4.951 0.020 . . . . . . 59 LEU HA . 7034 1 447 . 1 1 59 59 LEU HB2 H 1 1.397 0.020 . . . . . . 59 LEU HB2 . 7034 1 448 . 1 1 59 59 LEU HB3 H 1 1.307 0.020 . . . . . . 59 LEU HB3 . 7034 1 449 . 1 1 59 59 LEU HG H 1 1.353 0.020 . . . . . . 59 LEU HG . 7034 1 450 . 1 1 59 59 LEU HD11 H 1 0.685 0.020 . . . . . . 59 LEU QD1 . 7034 1 451 . 1 1 59 59 LEU HD12 H 1 0.685 0.020 . . . . . . 59 LEU QD1 . 7034 1 452 . 1 1 59 59 LEU HD13 H 1 0.685 0.020 . . . . . . 59 LEU QD1 . 7034 1 453 . 1 1 59 59 LEU HD21 H 1 0.739 0.020 . . . . . . 59 LEU QD2 . 7034 1 454 . 1 1 59 59 LEU HD22 H 1 0.739 0.020 . . . . . . 59 LEU QD2 . 7034 1 455 . 1 1 59 59 LEU HD23 H 1 0.739 0.020 . . . . . . 59 LEU QD2 . 7034 1 456 . 1 1 59 59 LEU C C 13 174.811 0.200 . . . . . . 59 LEU C . 7034 1 457 . 1 1 59 59 LEU CA C 13 51.055 0.200 . . . . . . 59 LEU CA . 7034 1 458 . 1 1 59 59 LEU CB C 13 41.992 0.200 . . . . . . 59 LEU CB . 7034 1 459 . 1 1 59 59 LEU CG C 13 25.309 0.200 . . . . . . 59 LEU CG . 7034 1 460 . 1 1 59 59 LEU N N 15 129.985 0.200 . . . . . . 59 LEU N . 7034 1 461 . 1 1 60 60 THR H H 1 8.889 0.020 . . . . . . 60 THR H . 7034 1 462 . 1 1 60 60 THR HA H 1 4.509 0.020 . . . . . . 60 THR HA . 7034 1 463 . 1 1 60 60 THR HB H 1 3.768 0.020 . . . . . . 60 THR HB . 7034 1 464 . 1 1 60 60 THR HG21 H 1 1.008 0.020 . . . . . . 60 THR QG2 . 7034 1 465 . 1 1 60 60 THR HG22 H 1 1.008 0.020 . . . . . . 60 THR QG2 . 7034 1 466 . 1 1 60 60 THR HG23 H 1 1.008 0.020 . . . . . . 60 THR QG2 . 7034 1 467 . 1 1 60 60 THR CA C 13 57.248 0.200 . . . . . . 60 THR CA . 7034 1 468 . 1 1 60 60 THR CB C 13 66.159 0.200 . . . . . . 60 THR CB . 7034 1 469 . 1 1 60 60 THR CG2 C 13 17.419 0.200 . . . . . . 60 THR CG2 . 7034 1 470 . 1 1 60 60 THR N N 15 118.462 0.200 . . . . . . 60 THR N . 7034 1 471 . 1 1 62 62 ARG HG2 H 1 1.691 0.020 . . . . . . 62 ARG HG2 . 7034 1 472 . 1 1 62 62 ARG HG3 H 1 1.619 0.020 . . . . . . 62 ARG HG3 . 7034 1 473 . 1 1 62 62 ARG HD2 H 1 3.349 0.020 . . . . . . 62 ARG HD2 . 7034 1 474 . 1 1 62 62 ARG HD3 H 1 3.260 0.020 . . . . . . 62 ARG HD3 . 7034 1 475 . 1 1 62 62 ARG CG C 13 24.596 0.200 . . . . . . 62 ARG CG . 7034 1 476 . 1 1 62 62 ARG CD C 13 40.624 0.200 . . . . . . 62 ARG CD . 7034 1 477 . 1 1 64 64 ASP HA H 1 4.117 0.020 . . . . . . 64 ASP HA . 7034 1 478 . 1 1 64 64 ASP HB2 H 1 2.712 0.020 . . . . . . 64 ASP QB . 7034 1 479 . 1 1 64 64 ASP HB3 H 1 2.712 0.020 . . . . . . 64 ASP QB . 7034 1 480 . 1 1 64 64 ASP C C 13 178.446 0.200 . . . . . . 64 ASP C . 7034 1 481 . 1 1 64 64 ASP CA C 13 53.964 0.200 . . . . . . 64 ASP CA . 7034 1 482 . 1 1 64 64 ASP CB C 13 36.518 0.200 . . . . . . 64 ASP CB . 7034 1 483 . 1 1 65 65 ALA H H 1 7.209 0.020 . . . . . . 65 ALA H . 7034 1 484 . 1 1 65 65 ALA HA H 1 4.373 0.020 . . . . . . 65 ALA HA . 7034 1 485 . 1 1 65 65 ALA HB1 H 1 1.780 0.020 . . . . . . 65 ALA QB . 7034 1 486 . 1 1 65 65 ALA HB2 H 1 1.780 0.020 . . . . . . 65 ALA QB . 7034 1 487 . 1 1 65 65 ALA HB3 H 1 1.780 0.020 . . . . . . 65 ALA QB . 7034 1 488 . 1 1 65 65 ALA C C 13 181.357 0.200 . . . . . . 65 ALA C . 7034 1 489 . 1 1 65 65 ALA CA C 13 51.589 0.200 . . . . . . 65 ALA CA . 7034 1 490 . 1 1 65 65 ALA CB C 13 15.844 0.200 . . . . . . 65 ALA CB . 7034 1 491 . 1 1 65 65 ALA N N 15 122.018 0.200 . . . . . . 65 ALA N . 7034 1 492 . 1 1 66 66 LEU H H 1 7.559 0.020 . . . . . . 66 LEU H . 7034 1 493 . 1 1 66 66 LEU HA H 1 4.225 0.020 . . . . . . 66 LEU HA . 7034 1 494 . 1 1 66 66 LEU HB2 H 1 1.753 0.020 . . . . . . 66 LEU HB2 . 7034 1 495 . 1 1 66 66 LEU HB3 H 1 0.896 0.020 . . . . . . 66 LEU HB3 . 7034 1 496 . 1 1 66 66 LEU HG H 1 1.482 0.020 . . . . . . 66 LEU HG . 7034 1 497 . 1 1 66 66 LEU HD11 H 1 0.779 0.020 . . . . . . 66 LEU QD1 . 7034 1 498 . 1 1 66 66 LEU HD12 H 1 0.779 0.020 . . . . . . 66 LEU QD1 . 7034 1 499 . 1 1 66 66 LEU HD13 H 1 0.779 0.020 . . . . . . 66 LEU QD1 . 7034 1 500 . 1 1 66 66 LEU HD21 H 1 0.899 0.020 . . . . . . 66 LEU QD2 . 7034 1 501 . 1 1 66 66 LEU HD22 H 1 0.899 0.020 . . . . . . 66 LEU QD2 . 7034 1 502 . 1 1 66 66 LEU HD23 H 1 0.899 0.020 . . . . . . 66 LEU QD2 . 7034 1 503 . 1 1 66 66 LEU C C 13 177.642 0.200 . . . . . . 66 LEU C . 7034 1 504 . 1 1 66 66 LEU CA C 13 55.081 0.200 . . . . . . 66 LEU CA . 7034 1 505 . 1 1 66 66 LEU CB C 13 38.041 0.200 . . . . . . 66 LEU CB . 7034 1 506 . 1 1 66 66 LEU CG C 13 23.750 0.200 . . . . . . 66 LEU CG . 7034 1 507 . 1 1 66 66 LEU CD1 C 13 19.470 0.200 . . . . . . 66 LEU CD1 . 7034 1 508 . 1 1 66 66 LEU CD2 C 13 23.121 0.200 . . . . . . 66 LEU CD2 . 7034 1 509 . 1 1 66 66 LEU N N 15 124.633 0.200 . . . . . . 66 LEU N . 7034 1 510 . 1 1 67 67 SER H H 1 7.992 0.020 . . . . . . 67 SER H . 7034 1 511 . 1 1 67 67 SER HA H 1 3.962 0.020 . . . . . . 67 SER HA . 7034 1 512 . 1 1 67 67 SER HB2 H 1 3.785 0.020 . . . . . . 67 SER HB2 . 7034 1 513 . 1 1 67 67 SER HB3 H 1 3.734 0.020 . . . . . . 67 SER HB3 . 7034 1 514 . 1 1 67 67 SER C C 13 177.198 0.200 . . . . . . 67 SER C . 7034 1 515 . 1 1 67 67 SER CA C 13 59.094 0.200 . . . . . . 67 SER CA . 7034 1 516 . 1 1 67 67 SER CB C 13 59.309 0.200 . . . . . . 67 SER CB . 7034 1 517 . 1 1 67 67 SER N N 15 114.754 0.200 . . . . . . 67 SER N . 7034 1 518 . 1 1 68 68 GLU H H 1 7.773 0.020 . . . . . . 68 GLU H . 7034 1 519 . 1 1 68 68 GLU HA H 1 3.957 0.020 . . . . . . 68 GLU HA . 7034 1 520 . 1 1 68 68 GLU HB2 H 1 2.100 0.020 . . . . . . 68 GLU HB2 . 7034 1 521 . 1 1 68 68 GLU HB3 H 1 2.057 0.020 . . . . . . 68 GLU HB3 . 7034 1 522 . 1 1 68 68 GLU HG2 H 1 2.385 0.020 . . . . . . 68 GLU HG2 . 7034 1 523 . 1 1 68 68 GLU HG3 H 1 2.215 0.020 . . . . . . 68 GLU HG3 . 7034 1 524 . 1 1 68 68 GLU C C 13 178.443 0.200 . . . . . . 68 GLU C . 7034 1 525 . 1 1 68 68 GLU CA C 13 56.911 0.200 . . . . . . 68 GLU CA . 7034 1 526 . 1 1 68 68 GLU CB C 13 26.979 0.200 . . . . . . 68 GLU CB . 7034 1 527 . 1 1 68 68 GLU CG C 13 33.528 0.200 . . . . . . 68 GLU CG . 7034 1 528 . 1 1 68 68 GLU N N 15 120.813 0.200 . . . . . . 68 GLU N . 7034 1 529 . 1 1 69 69 HIS H H 1 7.844 0.020 . . . . . . 69 HIS H . 7034 1 530 . 1 1 69 69 HIS HA H 1 4.119 0.020 . . . . . . 69 HIS HA . 7034 1 531 . 1 1 69 69 HIS HB2 H 1 3.716 0.020 . . . . . . 69 HIS HB2 . 7034 1 532 . 1 1 69 69 HIS HB3 H 1 2.598 0.020 . . . . . . 69 HIS HB3 . 7034 1 533 . 1 1 69 69 HIS C C 13 176.511 0.200 . . . . . . 69 HIS C . 7034 1 534 . 1 1 69 69 HIS CA C 13 57.189 0.200 . . . . . . 69 HIS CA . 7034 1 535 . 1 1 69 69 HIS CB C 13 25.069 0.200 . . . . . . 69 HIS CB . 7034 1 536 . 1 1 69 69 HIS N N 15 120.387 0.200 . . . . . . 69 HIS N . 7034 1 537 . 1 1 70 70 ASN H H 1 8.601 0.020 . . . . . . 70 ASN H . 7034 1 538 . 1 1 70 70 ASN HA H 1 4.405 0.020 . . . . . . 70 ASN HA . 7034 1 539 . 1 1 70 70 ASN HB2 H 1 2.932 0.020 . . . . . . 70 ASN QB . 7034 1 540 . 1 1 70 70 ASN HB3 H 1 2.932 0.020 . . . . . . 70 ASN QB . 7034 1 541 . 1 1 70 70 ASN HD21 H 1 6.757 0.020 . . . . . . 70 ASN HD21 . 7034 1 542 . 1 1 70 70 ASN HD22 H 1 7.534 0.020 . . . . . . 70 ASN HD22 . 7034 1 543 . 1 1 70 70 ASN C C 13 178.158 0.200 . . . . . . 70 ASN C . 7034 1 544 . 1 1 70 70 ASN CA C 13 53.175 0.200 . . . . . . 70 ASN CA . 7034 1 545 . 1 1 70 70 ASN CB C 13 34.463 0.200 . . . . . . 70 ASN CB . 7034 1 546 . 1 1 70 70 ASN N N 15 120.657 0.200 . . . . . . 70 ASN N . 7034 1 547 . 1 1 70 70 ASN ND2 N 15 107.422 0.200 . . . . . . 70 ASN ND2 . 7034 1 548 . 1 1 71 71 LEU H H 1 7.741 0.020 . . . . . . 71 LEU H . 7034 1 549 . 1 1 71 71 LEU HA H 1 3.998 0.020 . . . . . . 71 LEU HA . 7034 1 550 . 1 1 71 71 LEU HB2 H 1 1.744 0.020 . . . . . . 71 LEU HB2 . 7034 1 551 . 1 1 71 71 LEU HB3 H 1 1.556 0.020 . . . . . . 71 LEU HB3 . 7034 1 552 . 1 1 71 71 LEU HG H 1 1.709 0.020 . . . . . . 71 LEU HG . 7034 1 553 . 1 1 71 71 LEU C C 13 178.068 0.200 . . . . . . 71 LEU C . 7034 1 554 . 1 1 71 71 LEU CA C 13 54.904 0.200 . . . . . . 71 LEU CA . 7034 1 555 . 1 1 71 71 LEU CB C 13 39.483 0.200 . . . . . . 71 LEU CB . 7034 1 556 . 1 1 71 71 LEU CG C 13 24.101 0.200 . . . . . . 71 LEU CG . 7034 1 557 . 1 1 71 71 LEU CD1 C 13 21.138 0.200 . . . . . . 71 LEU CD1 . 7034 1 558 . 1 1 71 71 LEU CD2 C 13 22.106 0.200 . . . . . . 71 LEU CD2 . 7034 1 559 . 1 1 71 71 LEU N N 15 120.143 0.200 . . . . . . 71 LEU N . 7034 1 560 . 1 1 72 72 LYS H H 1 7.320 0.020 . . . . . . 72 LYS H . 7034 1 561 . 1 1 72 72 LYS HA H 1 3.876 0.020 . . . . . . 72 LYS HA . 7034 1 562 . 1 1 72 72 LYS HB2 H 1 1.512 0.020 . . . . . . 72 LYS HB2 . 7034 1 563 . 1 1 72 72 LYS HB3 H 1 1.258 0.020 . . . . . . 72 LYS HB3 . 7034 1 564 . 1 1 72 72 LYS HG2 H 1 0.944 0.020 . . . . . . 72 LYS HG2 . 7034 1 565 . 1 1 72 72 LYS HG3 H 1 0.507 0.020 . . . . . . 72 LYS HG3 . 7034 1 566 . 1 1 72 72 LYS HD2 H 1 1.431 0.020 . . . . . . 72 LYS QD . 7034 1 567 . 1 1 72 72 LYS HD3 H 1 1.431 0.020 . . . . . . 72 LYS QD . 7034 1 568 . 1 1 72 72 LYS HE2 H 1 2.758 0.020 . . . . . . 72 LYS QE . 7034 1 569 . 1 1 72 72 LYS HE3 H 1 2.758 0.020 . . . . . . 72 LYS QE . 7034 1 570 . 1 1 72 72 LYS C C 13 178.042 0.200 . . . . . . 72 LYS C . 7034 1 571 . 1 1 72 72 LYS CA C 13 55.396 0.200 . . . . . . 72 LYS CA . 7034 1 572 . 1 1 72 72 LYS CB C 13 30.742 0.200 . . . . . . 72 LYS CB . 7034 1 573 . 1 1 72 72 LYS CG C 13 22.096 0.200 . . . . . . 72 LYS CG . 7034 1 574 . 1 1 72 72 LYS CD C 13 26.265 0.200 . . . . . . 72 LYS CD . 7034 1 575 . 1 1 72 72 LYS CE C 13 39.337 0.200 . . . . . . 72 LYS CE . 7034 1 576 . 1 1 72 72 LYS N N 15 115.774 0.200 . . . . . . 72 LYS N . 7034 1 577 . 1 1 73 73 TYR H H 1 8.460 0.020 . . . . . . 73 TYR H . 7034 1 578 . 1 1 73 73 TYR HA H 1 4.066 0.020 . . . . . . 73 TYR HA . 7034 1 579 . 1 1 73 73 TYR HB2 H 1 2.177 0.020 . . . . . . 73 TYR HB2 . 7034 1 580 . 1 1 73 73 TYR HB3 H 1 1.392 0.020 . . . . . . 73 TYR HB3 . 7034 1 581 . 1 1 73 73 TYR HD1 H 1 6.866 0.020 . . . . . . 73 TYR QD . 7034 1 582 . 1 1 73 73 TYR HD2 H 1 6.866 0.020 . . . . . . 73 TYR QD . 7034 1 583 . 1 1 73 73 TYR HE1 H 1 6.792 0.020 . . . . . . 73 TYR QE . 7034 1 584 . 1 1 73 73 TYR HE2 H 1 6.792 0.020 . . . . . . 73 TYR QE . 7034 1 585 . 1 1 73 73 TYR C C 13 174.902 0.200 . . . . . . 73 TYR C . 7034 1 586 . 1 1 73 73 TYR CA C 13 56.797 0.200 . . . . . . 73 TYR CA . 7034 1 587 . 1 1 73 73 TYR CB C 13 35.439 0.200 . . . . . . 73 TYR CB . 7034 1 588 . 1 1 73 73 TYR N N 15 113.871 0.200 . . . . . . 73 TYR N . 7034 1 589 . 1 1 74 74 HIS H H 1 7.810 0.020 . . . . . . 74 HIS H . 7034 1 590 . 1 1 74 74 HIS HA H 1 5.231 0.020 . . . . . . 74 HIS HA . 7034 1 591 . 1 1 74 74 HIS HB2 H 1 3.406 0.020 . . . . . . 74 HIS HB2 . 7034 1 592 . 1 1 74 74 HIS HB3 H 1 3.266 0.020 . . . . . . 74 HIS HB3 . 7034 1 593 . 1 1 74 74 HIS C C 13 179.135 0.200 . . . . . . 74 HIS C . 7034 1 594 . 1 1 74 74 HIS CA C 13 49.810 0.200 . . . . . . 74 HIS CA . 7034 1 595 . 1 1 74 74 HIS CB C 13 27.118 0.200 . . . . . . 74 HIS CB . 7034 1 596 . 1 1 74 74 HIS N N 15 117.527 0.200 . . . . . . 74 HIS N . 7034 1 597 . 1 1 75 75 PRO HA H 1 4.331 0.020 . . . . . . 75 PRO HA . 7034 1 598 . 1 1 75 75 PRO HB2 H 1 2.266 0.020 . . . . . . 75 PRO HB2 . 7034 1 599 . 1 1 75 75 PRO HB3 H 1 1.929 0.020 . . . . . . 75 PRO HB3 . 7034 1 600 . 1 1 75 75 PRO HG2 H 1 1.966 0.020 . . . . . . 75 PRO HG2 . 7034 1 601 . 1 1 75 75 PRO HG3 H 1 1.895 0.020 . . . . . . 75 PRO HG3 . 7034 1 602 . 1 1 75 75 PRO HD2 H 1 3.352 0.020 . . . . . . 75 PRO HD2 . 7034 1 603 . 1 1 75 75 PRO HD3 H 1 3.018 0.020 . . . . . . 75 PRO HD3 . 7034 1 604 . 1 1 75 75 PRO C C 13 179.135 0.200 . . . . . . 75 PRO C . 7034 1 605 . 1 1 75 75 PRO CA C 13 61.663 0.200 . . . . . . 75 PRO CA . 7034 1 606 . 1 1 75 75 PRO CB C 13 28.262 0.200 . . . . . . 75 PRO CB . 7034 1 607 . 1 1 75 75 PRO CG C 13 25.174 0.200 . . . . . . 75 PRO CG . 7034 1 608 . 1 1 75 75 PRO CD C 13 47.586 0.200 . . . . . . 75 PRO CD . 7034 1 609 . 1 1 76 76 GLY H H 1 8.964 0.020 . . . . . . 76 GLY H . 7034 1 610 . 1 1 76 76 GLY HA2 H 1 3.997 0.020 . . . . . . 76 GLY HA2 . 7034 1 611 . 1 1 76 76 GLY HA3 H 1 3.817 0.020 . . . . . . 76 GLY HA3 . 7034 1 612 . 1 1 76 76 GLY C C 13 173.904 0.200 . . . . . . 76 GLY C . 7034 1 613 . 1 1 76 76 GLY CA C 13 42.606 0.200 . . . . . . 76 GLY CA . 7034 1 614 . 1 1 76 76 GLY N N 15 110.968 0.200 . . . . . . 76 GLY N . 7034 1 615 . 1 1 77 77 GLU H H 1 7.544 0.020 . . . . . . 77 GLU H . 7034 1 616 . 1 1 77 77 GLU HA H 1 4.110 0.020 . . . . . . 77 GLU HA . 7034 1 617 . 1 1 77 77 GLU HB2 H 1 1.789 0.020 . . . . . . 77 GLU QB . 7034 1 618 . 1 1 77 77 GLU HB3 H 1 1.789 0.020 . . . . . . 77 GLU QB . 7034 1 619 . 1 1 77 77 GLU HG2 H 1 1.506 0.020 . . . . . . 77 GLU HG2 . 7034 1 620 . 1 1 77 77 GLU HG3 H 1 1.135 0.020 . . . . . . 77 GLU HG3 . 7034 1 621 . 1 1 77 77 GLU C C 13 176.083 0.200 . . . . . . 77 GLU C . 7034 1 622 . 1 1 77 77 GLU CA C 13 53.263 0.200 . . . . . . 77 GLU CA . 7034 1 623 . 1 1 77 77 GLU CB C 13 27.949 0.200 . . . . . . 77 GLU CB . 7034 1 624 . 1 1 77 77 GLU CG C 13 33.208 0.200 . . . . . . 77 GLU CG . 7034 1 625 . 1 1 77 77 GLU N N 15 120.803 0.200 . . . . . . 77 GLU N . 7034 1 626 . 1 1 78 78 GLU H H 1 8.404 0.020 . . . . . . 78 GLU H . 7034 1 627 . 1 1 78 78 GLU HA H 1 4.583 0.020 . . . . . . 78 GLU HA . 7034 1 628 . 1 1 78 78 GLU HB2 H 1 2.149 0.020 . . . . . . 78 GLU HB2 . 7034 1 629 . 1 1 78 78 GLU HB3 H 1 1.769 0.020 . . . . . . 78 GLU HB3 . 7034 1 630 . 1 1 78 78 GLU HG2 H 1 2.211 0.020 . . . . . . 78 GLU QG . 7034 1 631 . 1 1 78 78 GLU HG3 H 1 2.211 0.020 . . . . . . 78 GLU QG . 7034 1 632 . 1 1 78 78 GLU C C 13 176.838 0.200 . . . . . . 78 GLU C . 7034 1 633 . 1 1 78 78 GLU CA C 13 53.310 0.200 . . . . . . 78 GLU CA . 7034 1 634 . 1 1 78 78 GLU CB C 13 29.241 0.200 . . . . . . 78 GLU CB . 7034 1 635 . 1 1 78 78 GLU CG C 13 33.296 0.200 . . . . . . 78 GLU CG . 7034 1 636 . 1 1 78 78 GLU N N 15 123.413 0.200 . . . . . . 78 GLU N . 7034 1 637 . 1 1 79 79 ASN H H 1 9.187 0.020 . . . . . . 79 ASN H . 7034 1 638 . 1 1 79 79 ASN HA H 1 5.023 0.020 . . . . . . 79 ASN HA . 7034 1 639 . 1 1 79 79 ASN HB2 H 1 2.876 0.020 . . . . . . 79 ASN HB2 . 7034 1 640 . 1 1 79 79 ASN HB3 H 1 2.660 0.020 . . . . . . 79 ASN HB3 . 7034 1 641 . 1 1 79 79 ASN HD21 H 1 6.933 0.020 . . . . . . 79 ASN HD21 . 7034 1 642 . 1 1 79 79 ASN HD22 H 1 7.825 0.020 . . . . . . 79 ASN HD22 . 7034 1 643 . 1 1 79 79 ASN C C 13 174.154 0.200 . . . . . . 79 ASN C . 7034 1 644 . 1 1 79 79 ASN CA C 13 50.033 0.200 . . . . . . 79 ASN CA . 7034 1 645 . 1 1 79 79 ASN CB C 13 35.906 0.200 . . . . . . 79 ASN CB . 7034 1 646 . 1 1 79 79 ASN N N 15 121.597 0.200 . . . . . . 79 ASN N . 7034 1 647 . 1 1 79 79 ASN ND2 N 15 115.064 0.200 . . . . . . 79 ASN ND2 . 7034 1 648 . 1 1 80 80 PHE H H 1 7.821 0.020 . . . . . . 80 PHE H . 7034 1 649 . 1 1 80 80 PHE HA H 1 5.024 0.020 . . . . . . 80 PHE HA . 7034 1 650 . 1 1 80 80 PHE HB2 H 1 2.923 0.020 . . . . . . 80 PHE HB2 . 7034 1 651 . 1 1 80 80 PHE HB3 H 1 2.861 0.020 . . . . . . 80 PHE HB3 . 7034 1 652 . 1 1 80 80 PHE HD1 H 1 6.997 0.020 . . . . . . 80 PHE QD . 7034 1 653 . 1 1 80 80 PHE HD2 H 1 6.997 0.020 . . . . . . 80 PHE QD . 7034 1 654 . 1 1 80 80 PHE HE1 H 1 6.894 0.020 . . . . . . 80 PHE QE . 7034 1 655 . 1 1 80 80 PHE HE2 H 1 6.894 0.020 . . . . . . 80 PHE QE . 7034 1 656 . 1 1 80 80 PHE C C 13 176.318 0.200 . . . . . . 80 PHE C . 7034 1 657 . 1 1 80 80 PHE CA C 13 55.173 0.200 . . . . . . 80 PHE CA . 7034 1 658 . 1 1 80 80 PHE CB C 13 38.398 0.200 . . . . . . 80 PHE CB . 7034 1 659 . 1 1 80 80 PHE N N 15 118.715 0.200 . . . . . . 80 PHE N . 7034 1 660 . 1 1 81 81 LYS H H 1 9.280 0.020 . . . . . . 81 LYS H . 7034 1 661 . 1 1 81 81 LYS HA H 1 4.691 0.020 . . . . . . 81 LYS HA . 7034 1 662 . 1 1 81 81 LYS HB2 H 1 1.856 0.020 . . . . . . 81 LYS HB2 . 7034 1 663 . 1 1 81 81 LYS HB3 H 1 1.700 0.020 . . . . . . 81 LYS HB3 . 7034 1 664 . 1 1 81 81 LYS HG2 H 1 1.377 0.020 . . . . . . 81 LYS HG2 . 7034 1 665 . 1 1 81 81 LYS HG3 H 1 1.304 0.020 . . . . . . 81 LYS HG3 . 7034 1 666 . 1 1 81 81 LYS HD2 H 1 1.627 0.020 . . . . . . 81 LYS QD . 7034 1 667 . 1 1 81 81 LYS HD3 H 1 1.627 0.020 . . . . . . 81 LYS QD . 7034 1 668 . 1 1 81 81 LYS HE2 H 1 2.929 0.020 . . . . . . 81 LYS QE . 7034 1 669 . 1 1 81 81 LYS HE3 H 1 2.929 0.020 . . . . . . 81 LYS QE . 7034 1 670 . 1 1 81 81 LYS C C 13 174.302 0.200 . . . . . . 81 LYS C . 7034 1 671 . 1 1 81 81 LYS CA C 13 52.572 0.200 . . . . . . 81 LYS CA . 7034 1 672 . 1 1 81 81 LYS CB C 13 32.264 0.200 . . . . . . 81 LYS CB . 7034 1 673 . 1 1 81 81 LYS CG C 13 21.992 0.200 . . . . . . 81 LYS CG . 7034 1 674 . 1 1 81 81 LYS CD C 13 26.495 0.200 . . . . . . 81 LYS CD . 7034 1 675 . 1 1 81 81 LYS N N 15 124.035 0.200 . . . . . . 81 LYS N . 7034 1 676 . 1 1 82 82 LEU H H 1 8.658 0.020 . . . . . . 82 LEU H . 7034 1 677 . 1 1 82 82 LEU HA H 1 5.449 0.020 . . . . . . 82 LEU HA . 7034 1 678 . 1 1 82 82 LEU HB2 H 1 1.711 0.020 . . . . . . 82 LEU QB . 7034 1 679 . 1 1 82 82 LEU HB3 H 1 1.711 0.020 . . . . . . 82 LEU QB . 7034 1 680 . 1 1 82 82 LEU HG H 1 1.696 0.020 . . . . . . 82 LEU HG . 7034 1 681 . 1 1 82 82 LEU C C 13 176.517 0.200 . . . . . . 82 LEU C . 7034 1 682 . 1 1 82 82 LEU CA C 13 50.868 0.200 . . . . . . 82 LEU CA . 7034 1 683 . 1 1 82 82 LEU CB C 13 42.144 0.200 . . . . . . 82 LEU CB . 7034 1 684 . 1 1 82 82 LEU CG C 13 24.897 0.200 . . . . . . 82 LEU CG . 7034 1 685 . 1 1 82 82 LEU N N 15 126.047 0.200 . . . . . . 82 LEU N . 7034 1 686 . 1 1 83 83 THR H H 1 8.935 0.020 . . . . . . 83 THR H . 7034 1 687 . 1 1 83 83 THR HA H 1 4.617 0.020 . . . . . . 83 THR HA . 7034 1 688 . 1 1 83 83 THR HB H 1 4.030 0.020 . . . . . . 83 THR HB . 7034 1 689 . 1 1 83 83 THR HG21 H 1 1.203 0.020 . . . . . . 83 THR QG2 . 7034 1 690 . 1 1 83 83 THR HG22 H 1 1.203 0.020 . . . . . . 83 THR QG2 . 7034 1 691 . 1 1 83 83 THR HG23 H 1 1.203 0.020 . . . . . . 83 THR QG2 . 7034 1 692 . 1 1 83 83 THR C C 13 172.891 0.200 . . . . . . 83 THR C . 7034 1 693 . 1 1 83 83 THR CA C 13 58.939 0.200 . . . . . . 83 THR CA . 7034 1 694 . 1 1 83 83 THR CB C 13 68.406 0.200 . . . . . . 83 THR CB . 7034 1 695 . 1 1 83 83 THR CG2 C 13 18.805 0.200 . . . . . . 83 THR CG2 . 7034 1 696 . 1 1 83 83 THR N N 15 121.481 0.200 . . . . . . 83 THR N . 7034 1 697 . 1 1 84 84 MET H H 1 8.957 0.020 . . . . . . 84 MET H . 7034 1 698 . 1 1 84 84 MET HA H 1 4.514 0.020 . . . . . . 84 MET HA . 7034 1 699 . 1 1 84 84 MET HB2 H 1 1.992 0.020 . . . . . . 84 MET HB2 . 7034 1 700 . 1 1 84 84 MET HB3 H 1 1.770 0.020 . . . . . . 84 MET HB3 . 7034 1 701 . 1 1 84 84 MET HG2 H 1 1.721 0.020 . . . . . . 84 MET QG . 7034 1 702 . 1 1 84 84 MET HG3 H 1 1.721 0.020 . . . . . . 84 MET QG . 7034 1 703 . 1 1 84 84 MET C C 13 174.632 0.200 . . . . . . 84 MET C . 7034 1 704 . 1 1 84 84 MET CA C 13 53.116 0.200 . . . . . . 84 MET CA . 7034 1 705 . 1 1 84 84 MET CB C 13 31.226 0.200 . . . . . . 84 MET CB . 7034 1 706 . 1 1 84 84 MET CG C 13 28.999 0.200 . . . . . . 84 MET CG . 7034 1 707 . 1 1 84 84 MET N N 15 127.730 0.200 . . . . . . 84 MET N . 7034 1 708 . 1 1 85 85 VAL H H 1 9.339 0.020 . . . . . . 85 VAL H . 7034 1 709 . 1 1 85 85 VAL HA H 1 4.284 0.020 . . . . . . 85 VAL HA . 7034 1 710 . 1 1 85 85 VAL HB H 1 1.917 0.020 . . . . . . 85 VAL HB . 7034 1 711 . 1 1 85 85 VAL HG11 H 1 0.745 0.020 . . . . . . 85 VAL QG1 . 7034 1 712 . 1 1 85 85 VAL HG12 H 1 0.745 0.020 . . . . . . 85 VAL QG1 . 7034 1 713 . 1 1 85 85 VAL HG13 H 1 0.745 0.020 . . . . . . 85 VAL QG1 . 7034 1 714 . 1 1 85 85 VAL HG21 H 1 0.768 0.020 . . . . . . 85 VAL QG2 . 7034 1 715 . 1 1 85 85 VAL HG22 H 1 0.768 0.020 . . . . . . 85 VAL QG2 . 7034 1 716 . 1 1 85 85 VAL HG23 H 1 0.768 0.020 . . . . . . 85 VAL QG2 . 7034 1 717 . 1 1 85 85 VAL C C 13 173.637 0.200 . . . . . . 85 VAL C . 7034 1 718 . 1 1 85 85 VAL CA C 13 58.042 0.200 . . . . . . 85 VAL CA . 7034 1 719 . 1 1 85 85 VAL CB C 13 32.298 0.200 . . . . . . 85 VAL CB . 7034 1 720 . 1 1 85 85 VAL CG1 C 13 17.398 0.200 . . . . . . 85 VAL CG1 . 7034 1 721 . 1 1 85 85 VAL CG2 C 13 18.141 0.200 . . . . . . 85 VAL CG2 . 7034 1 722 . 1 1 85 85 VAL N N 15 127.656 0.200 . . . . . . 85 VAL N . 7034 1 723 . 1 1 86 86 LYS H H 1 8.350 0.020 . . . . . . 86 LYS H . 7034 1 724 . 1 1 86 86 LYS HA H 1 5.018 0.020 . . . . . . 86 LYS HA . 7034 1 725 . 1 1 86 86 LYS HB2 H 1 1.657 0.020 . . . . . . 86 LYS HB2 . 7034 1 726 . 1 1 86 86 LYS HB3 H 1 1.564 0.020 . . . . . . 86 LYS HB3 . 7034 1 727 . 1 1 86 86 LYS HG2 H 1 1.236 0.020 . . . . . . 86 LYS QG . 7034 1 728 . 1 1 86 86 LYS HG3 H 1 1.236 0.020 . . . . . . 86 LYS QG . 7034 1 729 . 1 1 86 86 LYS HD2 H 1 1.529 0.020 . . . . . . 86 LYS QD . 7034 1 730 . 1 1 86 86 LYS HD3 H 1 1.529 0.020 . . . . . . 86 LYS QD . 7034 1 731 . 1 1 86 86 LYS HE2 H 1 2.830 0.020 . . . . . . 86 LYS QE . 7034 1 732 . 1 1 86 86 LYS HE3 H 1 2.830 0.020 . . . . . . 86 LYS QE . 7034 1 733 . 1 1 86 86 LYS C C 13 176.321 0.200 . . . . . . 86 LYS C . 7034 1 734 . 1 1 86 86 LYS CA C 13 52.003 0.200 . . . . . . 86 LYS CA . 7034 1 735 . 1 1 86 86 LYS CB C 13 30.571 0.200 . . . . . . 86 LYS CB . 7034 1 736 . 1 1 86 86 LYS CG C 13 21.891 0.200 . . . . . . 86 LYS CG . 7034 1 737 . 1 1 86 86 LYS CD C 13 26.447 0.200 . . . . . . 86 LYS CD . 7034 1 738 . 1 1 86 86 LYS CE C 13 39.199 0.200 . . . . . . 86 LYS CE . 7034 1 739 . 1 1 86 86 LYS N N 15 124.503 0.200 . . . . . . 86 LYS N . 7034 1 740 . 1 1 87 87 ARG H H 1 8.388 0.020 . . . . . . 87 ARG H . 7034 1 741 . 1 1 87 87 ARG HA H 1 4.517 0.020 . . . . . . 87 ARG HA . 7034 1 742 . 1 1 87 87 ARG HB2 H 1 1.663 0.020 . . . . . . 87 ARG HB2 . 7034 1 743 . 1 1 87 87 ARG HB3 H 1 1.539 0.020 . . . . . . 87 ARG HB3 . 7034 1 744 . 1 1 87 87 ARG HG2 H 1 1.431 0.020 . . . . . . 87 ARG QG . 7034 1 745 . 1 1 87 87 ARG HG3 H 1 1.431 0.020 . . . . . . 87 ARG QG . 7034 1 746 . 1 1 87 87 ARG HD2 H 1 3.156 0.020 . . . . . . 87 ARG HD2 . 7034 1 747 . 1 1 87 87 ARG HD3 H 1 3.021 0.020 . . . . . . 87 ARG HD3 . 7034 1 748 . 1 1 87 87 ARG CA C 13 52.251 0.200 . . . . . . 87 ARG CA . 7034 1 749 . 1 1 87 87 ARG CB C 13 29.778 0.200 . . . . . . 87 ARG CB . 7034 1 750 . 1 1 87 87 ARG CG C 13 24.399 0.200 . . . . . . 87 ARG CG . 7034 1 751 . 1 1 87 87 ARG CD C 13 40.639 0.200 . . . . . . 87 ARG CD . 7034 1 752 . 1 1 87 87 ARG N N 15 124.303 0.200 . . . . . . 87 ARG N . 7034 1 753 . 1 1 89 89 ASN H H 1 7.617 0.020 . . . . . . 89 ASN H . 7034 1 754 . 1 1 89 89 ASN HA H 1 4.356 0.020 . . . . . . 89 ASN HA . 7034 1 755 . 1 1 89 89 ASN HB2 H 1 3.006 0.020 . . . . . . 89 ASN HB2 . 7034 1 756 . 1 1 89 89 ASN HB3 H 1 2.897 0.020 . . . . . . 89 ASN HB3 . 7034 1 757 . 1 1 89 89 ASN HD21 H 1 6.932 0.020 . . . . . . 89 ASN HD21 . 7034 1 758 . 1 1 89 89 ASN HD22 H 1 7.596 0.020 . . . . . . 89 ASN HD22 . 7034 1 759 . 1 1 89 89 ASN C C 13 174.041 0.200 . . . . . . 89 ASN C . 7034 1 760 . 1 1 89 89 ASN CA C 13 51.689 0.200 . . . . . . 89 ASN CA . 7034 1 761 . 1 1 89 89 ASN CB C 13 35.285 0.200 . . . . . . 89 ASN CB . 7034 1 762 . 1 1 89 89 ASN N N 15 118.734 0.200 . . . . . . 89 ASN N . 7034 1 763 . 1 1 89 89 ASN ND2 N 15 113.375 0.200 . . . . . . 89 ASN ND2 . 7034 1 764 . 1 1 90 90 GLN H H 1 7.941 0.020 . . . . . . 90 GLN H . 7034 1 765 . 1 1 90 90 GLN HA H 1 4.664 0.020 . . . . . . 90 GLN HA . 7034 1 766 . 1 1 90 90 GLN HB2 H 1 2.061 0.020 . . . . . . 90 GLN HB2 . 7034 1 767 . 1 1 90 90 GLN HB3 H 1 1.998 0.020 . . . . . . 90 GLN HB3 . 7034 1 768 . 1 1 90 90 GLN HG2 H 1 2.283 0.020 . . . . . . 90 GLN QG . 7034 1 769 . 1 1 90 90 GLN HG3 H 1 2.283 0.020 . . . . . . 90 GLN QG . 7034 1 770 . 1 1 90 90 GLN HE21 H 1 6.829 0.020 . . . . . . 90 GLN HE21 . 7034 1 771 . 1 1 90 90 GLN HE22 H 1 7.375 0.020 . . . . . . 90 GLN HE22 . 7034 1 772 . 1 1 90 90 GLN C C 13 174.826 0.200 . . . . . . 90 GLN C . 7034 1 773 . 1 1 90 90 GLN CA C 13 51.981 0.200 . . . . . . 90 GLN CA . 7034 1 774 . 1 1 90 90 GLN CB C 13 28.993 0.200 . . . . . . 90 GLN CB . 7034 1 775 . 1 1 90 90 GLN CG C 13 31.046 0.200 . . . . . . 90 GLN CG . 7034 1 776 . 1 1 90 90 GLN N N 15 118.684 0.200 . . . . . . 90 GLN N . 7034 1 777 . 1 1 90 90 GLN NE2 N 15 111.818 0.200 . . . . . . 90 GLN NE2 . 7034 1 778 . 1 1 91 91 THR H H 1 8.390 0.020 . . . . . . 91 THR H . 7034 1 779 . 1 1 91 91 THR HA H 1 4.489 0.020 . . . . . . 91 THR HA . 7034 1 780 . 1 1 91 91 THR HB H 1 3.826 0.020 . . . . . . 91 THR HB . 7034 1 781 . 1 1 91 91 THR HG21 H 1 0.659 0.020 . . . . . . 91 THR QG2 . 7034 1 782 . 1 1 91 91 THR HG22 H 1 0.659 0.020 . . . . . . 91 THR QG2 . 7034 1 783 . 1 1 91 91 THR HG23 H 1 0.659 0.020 . . . . . . 91 THR QG2 . 7034 1 784 . 1 1 91 91 THR C C 13 172.891 0.200 . . . . . . 91 THR C . 7034 1 785 . 1 1 91 91 THR CA C 13 60.217 0.200 . . . . . . 91 THR CA . 7034 1 786 . 1 1 91 91 THR CB C 13 66.583 0.200 . . . . . . 91 THR CB . 7034 1 787 . 1 1 91 91 THR CG2 C 13 19.523 0.200 . . . . . . 91 THR CG2 . 7034 1 788 . 1 1 91 91 THR N N 15 119.721 0.200 . . . . . . 91 THR N . 7034 1 789 . 1 1 92 92 ILE H H 1 8.969 0.020 . . . . . . 92 ILE H . 7034 1 790 . 1 1 92 92 ILE HA H 1 4.417 0.020 . . . . . . 92 ILE HA . 7034 1 791 . 1 1 92 92 ILE HB H 1 1.609 0.020 . . . . . . 92 ILE HB . 7034 1 792 . 1 1 92 92 ILE HG12 H 1 1.207 0.020 . . . . . . 92 ILE HG12 . 7034 1 793 . 1 1 92 92 ILE HG13 H 1 0.930 0.020 . . . . . . 92 ILE HG13 . 7034 1 794 . 1 1 92 92 ILE HG21 H 1 0.665 0.020 . . . . . . 92 ILE QG2 . 7034 1 795 . 1 1 92 92 ILE HG22 H 1 0.665 0.020 . . . . . . 92 ILE QG2 . 7034 1 796 . 1 1 92 92 ILE HG23 H 1 0.665 0.020 . . . . . . 92 ILE QG2 . 7034 1 797 . 1 1 92 92 ILE HD11 H 1 0.658 0.020 . . . . . . 92 ILE QD1 . 7034 1 798 . 1 1 92 92 ILE HD12 H 1 0.658 0.020 . . . . . . 92 ILE QD1 . 7034 1 799 . 1 1 92 92 ILE HD13 H 1 0.658 0.020 . . . . . . 92 ILE QD1 . 7034 1 800 . 1 1 92 92 ILE C C 13 174.044 0.200 . . . . . . 92 ILE C . 7034 1 801 . 1 1 92 92 ILE CA C 13 56.359 0.200 . . . . . . 92 ILE CA . 7034 1 802 . 1 1 92 92 ILE CB C 13 37.996 0.200 . . . . . . 92 ILE CB . 7034 1 803 . 1 1 92 92 ILE CG1 C 13 25.038 0.200 . . . . . . 92 ILE CG1 . 7034 1 804 . 1 1 92 92 ILE CG2 C 13 15.700 0.200 . . . . . . 92 ILE CG2 . 7034 1 805 . 1 1 92 92 ILE CD1 C 13 11.096 0.200 . . . . . . 92 ILE CD1 . 7034 1 806 . 1 1 92 92 ILE N N 15 127.755 0.200 . . . . . . 92 ILE N . 7034 1 807 . 1 1 93 93 PHE H H 1 8.859 0.020 . . . . . . 93 PHE H . 7034 1 808 . 1 1 93 93 PHE HA H 1 4.992 0.020 . . . . . . 93 PHE HA . 7034 1 809 . 1 1 93 93 PHE HB2 H 1 2.985 0.020 . . . . . . 93 PHE HB2 . 7034 1 810 . 1 1 93 93 PHE HB3 H 1 2.696 0.020 . . . . . . 93 PHE HB3 . 7034 1 811 . 1 1 93 93 PHE HD1 H 1 6.727 0.020 . . . . . . 93 PHE QD . 7034 1 812 . 1 1 93 93 PHE HD2 H 1 6.727 0.020 . . . . . . 93 PHE QD . 7034 1 813 . 1 1 93 93 PHE C C 13 174.870 0.200 . . . . . . 93 PHE C . 7034 1 814 . 1 1 93 93 PHE CA C 13 53.917 0.200 . . . . . . 93 PHE CA . 7034 1 815 . 1 1 93 93 PHE CB C 13 37.529 0.200 . . . . . . 93 PHE CB . 7034 1 816 . 1 1 93 93 PHE N N 15 124.565 0.200 . . . . . . 93 PHE N . 7034 1 817 . 1 1 94 94 GLU H H 1 9.116 0.020 . . . . . . 94 GLU H . 7034 1 818 . 1 1 94 94 GLU HA H 1 4.750 0.020 . . . . . . 94 GLU HA . 7034 1 819 . 1 1 94 94 GLU HB2 H 1 1.751 0.020 . . . . . . 94 GLU QB . 7034 1 820 . 1 1 94 94 GLU HB3 H 1 1.751 0.020 . . . . . . 94 GLU QB . 7034 1 821 . 1 1 94 94 GLU HG2 H 1 2.223 0.020 . . . . . . 94 GLU HG2 . 7034 1 822 . 1 1 94 94 GLU HG3 H 1 1.881 0.020 . . . . . . 94 GLU HG3 . 7034 1 823 . 1 1 94 94 GLU C C 13 176.248 0.200 . . . . . . 94 GLU C . 7034 1 824 . 1 1 94 94 GLU CA C 13 52.690 0.200 . . . . . . 94 GLU CA . 7034 1 825 . 1 1 94 94 GLU CB C 13 28.835 0.200 . . . . . . 94 GLU CB . 7034 1 826 . 1 1 94 94 GLU CG C 13 34.515 0.200 . . . . . . 94 GLU CG . 7034 1 827 . 1 1 94 94 GLU N N 15 122.724 0.200 . . . . . . 94 GLU N . 7034 1 828 . 1 1 95 95 GLN H H 1 10.135 0.020 . . . . . . 95 GLN H . 7034 1 829 . 1 1 95 95 GLN HA H 1 5.858 0.020 . . . . . . 95 GLN HA . 7034 1 830 . 1 1 95 95 GLN HB2 H 1 2.403 0.020 . . . . . . 95 GLN QB . 7034 1 831 . 1 1 95 95 GLN HB3 H 1 2.403 0.020 . . . . . . 95 GLN QB . 7034 1 832 . 1 1 95 95 GLN HG2 H 1 2.089 0.020 . . . . . . 95 GLN HG2 . 7034 1 833 . 1 1 95 95 GLN HG3 H 1 1.984 0.020 . . . . . . 95 GLN HG3 . 7034 1 834 . 1 1 95 95 GLN HE21 H 1 7.100 0.020 . . . . . . 95 GLN HE21 . 7034 1 835 . 1 1 95 95 GLN HE22 H 1 8.839 0.020 . . . . . . 95 GLN HE22 . 7034 1 836 . 1 1 95 95 GLN C C 13 175.480 0.200 . . . . . . 95 GLN C . 7034 1 837 . 1 1 95 95 GLN CA C 13 52.046 0.200 . . . . . . 95 GLN CA . 7034 1 838 . 1 1 95 95 GLN CB C 13 30.005 0.200 . . . . . . 95 GLN CB . 7034 1 839 . 1 1 95 95 GLN CG C 13 34.908 0.200 . . . . . . 95 GLN CG . 7034 1 840 . 1 1 95 95 GLN N N 15 128.388 0.200 . . . . . . 95 GLN N . 7034 1 841 . 1 1 95 95 GLN NE2 N 15 112.310 0.200 . . . . . . 95 GLN NE2 . 7034 1 842 . 1 1 96 96 THR H H 1 9.227 0.020 . . . . . . 96 THR H . 7034 1 843 . 1 1 96 96 THR HA H 1 5.016 0.020 . . . . . . 96 THR HA . 7034 1 844 . 1 1 96 96 THR HB H 1 4.342 0.020 . . . . . . 96 THR HB . 7034 1 845 . 1 1 96 96 THR HG21 H 1 1.245 0.020 . . . . . . 96 THR QG2 . 7034 1 846 . 1 1 96 96 THR HG22 H 1 1.245 0.020 . . . . . . 96 THR QG2 . 7034 1 847 . 1 1 96 96 THR HG23 H 1 1.245 0.020 . . . . . . 96 THR QG2 . 7034 1 848 . 1 1 96 96 THR C C 13 173.357 0.200 . . . . . . 96 THR C . 7034 1 849 . 1 1 96 96 THR CA C 13 56.736 0.200 . . . . . . 96 THR CA . 7034 1 850 . 1 1 96 96 THR CB C 13 69.426 0.200 . . . . . . 96 THR CB . 7034 1 851 . 1 1 96 96 THR CG2 C 13 20.051 0.200 . . . . . . 96 THR CG2 . 7034 1 852 . 1 1 96 96 THR N N 15 119.511 0.200 . . . . . . 96 THR N . 7034 1 853 . 1 1 97 97 ILE H H 1 8.911 0.020 . . . . . . 97 ILE H . 7034 1 854 . 1 1 97 97 ILE HA H 1 4.310 0.020 . . . . . . 97 ILE HA . 7034 1 855 . 1 1 97 97 ILE HB H 1 1.621 0.020 . . . . . . 97 ILE HB . 7034 1 856 . 1 1 97 97 ILE HG12 H 1 1.473 0.020 . . . . . . 97 ILE HG12 . 7034 1 857 . 1 1 97 97 ILE HG13 H 1 0.775 0.020 . . . . . . 97 ILE HG13 . 7034 1 858 . 1 1 97 97 ILE HG21 H 1 0.652 0.020 . . . . . . 97 ILE QG2 . 7034 1 859 . 1 1 97 97 ILE HG22 H 1 0.652 0.020 . . . . . . 97 ILE QG2 . 7034 1 860 . 1 1 97 97 ILE HG23 H 1 0.652 0.020 . . . . . . 97 ILE QG2 . 7034 1 861 . 1 1 97 97 ILE HD11 H 1 0.475 0.020 . . . . . . 97 ILE QD1 . 7034 1 862 . 1 1 97 97 ILE HD12 H 1 0.475 0.020 . . . . . . 97 ILE QD1 . 7034 1 863 . 1 1 97 97 ILE HD13 H 1 0.475 0.020 . . . . . . 97 ILE QD1 . 7034 1 864 . 1 1 97 97 ILE C C 13 176.327 0.200 . . . . . . 97 ILE C . 7034 1 865 . 1 1 97 97 ILE CA C 13 58.574 0.200 . . . . . . 97 ILE CA . 7034 1 866 . 1 1 97 97 ILE CB C 13 36.426 0.200 . . . . . . 97 ILE CB . 7034 1 867 . 1 1 97 97 ILE CG1 C 13 25.622 0.200 . . . . . . 97 ILE CG1 . 7034 1 868 . 1 1 97 97 ILE CG2 C 13 14.883 0.200 . . . . . . 97 ILE CG2 . 7034 1 869 . 1 1 97 97 ILE CD1 C 13 10.076 0.200 . . . . . . 97 ILE CD1 . 7034 1 870 . 1 1 97 97 ILE N N 15 121.045 0.200 . . . . . . 97 ILE N . 7034 1 871 . 1 1 98 98 ASN H H 1 8.534 0.020 . . . . . . 98 ASN H . 7034 1 872 . 1 1 98 98 ASN HA H 1 4.619 0.020 . . . . . . 98 ASN HA . 7034 1 873 . 1 1 98 98 ASN HB2 H 1 2.845 0.020 . . . . . . 98 ASN HB2 . 7034 1 874 . 1 1 98 98 ASN HB3 H 1 2.575 0.020 . . . . . . 98 ASN HB3 . 7034 1 875 . 1 1 98 98 ASN HD21 H 1 6.894 0.020 . . . . . . 98 ASN HD21 . 7034 1 876 . 1 1 98 98 ASN HD22 H 1 7.635 0.020 . . . . . . 98 ASN HD22 . 7034 1 877 . 1 1 98 98 ASN C C 13 174.107 0.200 . . . . . . 98 ASN C . 7034 1 878 . 1 1 98 98 ASN CA C 13 50.569 0.200 . . . . . . 98 ASN CA . 7034 1 879 . 1 1 98 98 ASN CB C 13 36.432 0.200 . . . . . . 98 ASN CB . 7034 1 880 . 1 1 98 98 ASN N N 15 124.782 0.200 . . . . . . 98 ASN N . 7034 1 881 . 1 1 98 98 ASN ND2 N 15 112.902 0.200 . . . . . . 98 ASN ND2 . 7034 1 882 . 1 1 99 99 ASP H H 1 8.403 0.020 . . . . . . 99 ASP H . 7034 1 883 . 1 1 99 99 ASP HA H 1 4.547 0.020 . . . . . . 99 ASP HA . 7034 1 884 . 1 1 99 99 ASP HB2 H 1 2.656 0.020 . . . . . . 99 ASP HB2 . 7034 1 885 . 1 1 99 99 ASP HB3 H 1 2.580 0.020 . . . . . . 99 ASP HB3 . 7034 1 886 . 1 1 99 99 ASP C C 13 176.065 0.200 . . . . . . 99 ASP C . 7034 1 887 . 1 1 99 99 ASP CA C 13 51.290 0.200 . . . . . . 99 ASP CA . 7034 1 888 . 1 1 99 99 ASP CB C 13 38.472 0.200 . . . . . . 99 ASP CB . 7034 1 889 . 1 1 99 99 ASP N N 15 121.706 0.200 . . . . . . 99 ASP N . 7034 1 890 . 1 1 100 100 LEU H H 1 8.222 0.020 . . . . . . 100 LEU H . 7034 1 891 . 1 1 100 100 LEU HA H 1 4.348 0.020 . . . . . . 100 LEU HA . 7034 1 892 . 1 1 100 100 LEU HB2 H 1 1.626 0.020 . . . . . . 100 LEU HB2 . 7034 1 893 . 1 1 100 100 LEU HB3 H 1 1.527 0.020 . . . . . . 100 LEU HB3 . 7034 1 894 . 1 1 100 100 LEU HG H 1 1.575 0.020 . . . . . . 100 LEU HG . 7034 1 895 . 1 1 100 100 LEU HD11 H 1 0.835 0.020 . . . . . . 100 LEU QD1 . 7034 1 896 . 1 1 100 100 LEU HD12 H 1 0.835 0.020 . . . . . . 100 LEU QD1 . 7034 1 897 . 1 1 100 100 LEU HD13 H 1 0.835 0.020 . . . . . . 100 LEU QD1 . 7034 1 898 . 1 1 100 100 LEU HD21 H 1 0.901 0.020 . . . . . . 100 LEU QD2 . 7034 1 899 . 1 1 100 100 LEU HD22 H 1 0.901 0.020 . . . . . . 100 LEU QD2 . 7034 1 900 . 1 1 100 100 LEU HD23 H 1 0.901 0.020 . . . . . . 100 LEU QD2 . 7034 1 901 . 1 1 100 100 LEU C C 13 177.314 0.200 . . . . . . 100 LEU C . 7034 1 902 . 1 1 100 100 LEU CA C 13 52.389 0.200 . . . . . . 100 LEU CA . 7034 1 903 . 1 1 100 100 LEU CB C 13 39.415 0.200 . . . . . . 100 LEU CB . 7034 1 904 . 1 1 100 100 LEU CG C 13 24.225 0.200 . . . . . . 100 LEU CG . 7034 1 905 . 1 1 100 100 LEU CD1 C 13 20.695 0.200 . . . . . . 100 LEU CD1 . 7034 1 906 . 1 1 100 100 LEU CD2 C 13 22.327 0.200 . . . . . . 100 LEU CD2 . 7034 1 907 . 1 1 100 100 LEU N N 15 122.757 0.200 . . . . . . 100 LEU N . 7034 1 908 . 1 1 101 101 THR H H 1 8.087 0.020 . . . . . . 101 THR H . 7034 1 909 . 1 1 101 101 THR HA H 1 4.247 0.020 . . . . . . 101 THR HA . 7034 1 910 . 1 1 101 101 THR HB H 1 4.157 0.020 . . . . . . 101 THR HB . 7034 1 911 . 1 1 101 101 THR HG21 H 1 1.125 0.020 . . . . . . 101 THR QG2 . 7034 1 912 . 1 1 101 101 THR HG22 H 1 1.125 0.020 . . . . . . 101 THR QG2 . 7034 1 913 . 1 1 101 101 THR HG23 H 1 1.125 0.020 . . . . . . 101 THR QG2 . 7034 1 914 . 1 1 101 101 THR C C 13 173.309 0.200 . . . . . . 101 THR C . 7034 1 915 . 1 1 101 101 THR CA C 13 59.116 0.200 . . . . . . 101 THR CA . 7034 1 916 . 1 1 101 101 THR CB C 13 67.267 0.200 . . . . . . 101 THR CB . 7034 1 917 . 1 1 101 101 THR CG2 C 13 18.746 0.200 . . . . . . 101 THR CG2 . 7034 1 918 . 1 1 101 101 THR N N 15 114.883 0.200 . . . . . . 101 THR N . 7034 1 919 . 1 1 102 102 PHE H H 1 7.765 0.020 . . . . . . 102 PHE H . 7034 1 920 . 1 1 102 102 PHE HA H 1 4.436 0.020 . . . . . . 102 PHE HA . 7034 1 921 . 1 1 102 102 PHE HB2 H 1 3.137 0.020 . . . . . . 102 PHE HB2 . 7034 1 922 . 1 1 102 102 PHE HB3 H 1 2.958 0.020 . . . . . . 102 PHE HB3 . 7034 1 923 . 1 1 102 102 PHE HD1 H 1 7.228 0.020 . . . . . . 102 PHE QD . 7034 1 924 . 1 1 102 102 PHE HD2 H 1 7.228 0.020 . . . . . . 102 PHE QD . 7034 1 925 . 1 1 102 102 PHE CA C 13 56.358 0.200 . . . . . . 102 PHE CA . 7034 1 926 . 1 1 102 102 PHE CB C 13 37.609 0.200 . . . . . . 102 PHE CB . 7034 1 927 . 1 1 102 102 PHE N N 15 127.060 0.200 . . . . . . 102 PHE N . 7034 1 stop_ save_