data_6035 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6035 _Entry.Title ; 1H, 13C and 15N assignments for human DNA ligase III 1-117 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-12-09 _Entry.Accession_date 2003-12-09 _Entry.Last_release_date 2004-10-29 _Entry.Original_release_date 2004-10-29 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Arkadiusz Kulczyk . W. . 6035 2 Ji-Chun Yang . . . 6035 3 David Neuhaus . . . 6035 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6035 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 564 6035 '13C chemical shifts' 379 6035 '15N chemical shifts' 108 6035 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2004-10-29 2003-12-09 original author . 6035 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6035 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15288782 _Citation.Full_citation . _Citation.Title ; Solution structure and DNA binding of the zinc-finger domain from DNA ligase IIIalpha ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 341 _Citation.Journal_issue 3 _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 723 _Citation.Page_last 738 _Citation.Year 2004 _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 Arkadiusz Kulczyk . W. . 6035 1 2 Ji-Chun Yang . . . 6035 1 3 David Neuhaus . . . 6035 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_DL3a _Assembly.Sf_category assembly _Assembly.Sf_framecode DL3a _Assembly.Entry_ID 6035 _Assembly.ID 1 _Assembly.Name 'DNA ligase III alpha 1-117' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not reported' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6035 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'DL3a 1-117' 1 $DL3_alpha . . . native . . . . . 6035 1 2 'ZINC (II) ION' 2 $ZN . . . native . . . . . 6035 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'DNA ligase III alpha 1-117' system 6035 1 DL3a abbreviation 6035 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_DL3_alpha _Entity.Sf_category entity _Entity.Sf_framecode DL3_alpha _Entity.Entry_ID 6035 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'DNA ligase III zinc finger' _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 ; MAEQRFCVDYAKRGTAGCKK CKEKIVKGVCRIGKVVPNPF SESGGDMKEWYHIKCMFEKL ERARATTKKIEDLTELEGWE ELEDNEKEQITQHIADLSSK AAGTPKKKAVVQAKLTT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 117 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not reported' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1UW0 . "Solution Structure Of The Zinc-Finger Domain From Dna Ligase Iiia" . . . . . 100.00 117 100.00 100.00 6.76e-79 . . . . 6035 1 2 no DBJ BAE25421 . "unnamed protein product [Mus musculus]" . . . . . 100.00 1012 97.44 98.29 3.26e-70 . . . . 6035 1 3 no DBJ BAE29732 . "unnamed protein product [Mus musculus]" . . . . . 100.00 1011 97.44 98.29 3.55e-70 . . . . 6035 1 4 no DBJ BAE39460 . "unnamed protein product [Mus musculus]" . . . . . 100.00 431 97.44 98.29 1.31e-73 . . . . 6035 1 5 no EMBL CAA59230 . "DNA ligase III [Homo sapiens]" . . . . . 100.00 922 100.00 100.00 9.53e-73 . . . . 6035 1 6 no GB AAA85022 . "DNA ligase III [Homo sapiens]" . . . . . 100.00 862 100.00 100.00 4.59e-73 . . . . 6035 1 7 no GB AAC53003 . "DNA ligase III-beta [Mus musculus]" . . . . . 100.00 956 97.44 98.29 1.67e-70 . . . . 6035 1 8 no GB AAC53004 . "DNA ligase III-alpha [Mus musculus]" . . . . . 100.00 1015 97.44 98.29 3.29e-70 . . . . 6035 1 9 no GB AAH09026 . "LIG3 protein [Homo sapiens]" . . . . . 100.00 299 100.00 100.00 5.04e-77 . . . . 6035 1 10 no GB AAH49240 . "Ligase III, DNA, ATP-dependent [Mus musculus]" . . . . . 100.00 1012 97.44 98.29 3.26e-70 . . . . 6035 1 11 no REF NP_001231032 . "DNA ligase 3 [Sus scrofa]" . . . . . 99.15 995 97.41 98.28 2.96e-69 . . . . 6035 1 12 no REF NP_001252899 . "DNA ligase 3 [Macaca mulatta]" . . . . . 100.00 1009 98.29 99.15 1.50e-71 . . . . 6035 1 13 no REF NP_001278174 . "DNA ligase 3 isoform a [Mus musculus]" . . . . . 100.00 1012 97.44 98.29 3.26e-70 . . . . 6035 1 14 no REF NP_001278175 . "DNA ligase 3 isoform b [Mus musculus]" . . . . . 100.00 1011 97.44 98.29 3.55e-70 . . . . 6035 1 15 no REF NP_001278176 . "DNA ligase 3 isoform b [Mus musculus]" . . . . . 100.00 1011 97.44 98.29 3.55e-70 . . . . 6035 1 16 no SP P49916 . "RecName: Full=DNA ligase 3; AltName: Full=DNA ligase III; AltName: Full=Polydeoxyribonucleotide synthase [ATP] 3 [Homo sapiens]" . . . . . 100.00 1009 100.00 100.00 1.76e-72 . . . . 6035 1 17 no SP P97386 . "RecName: Full=DNA ligase 3; AltName: Full=DNA ligase III; AltName: Full=Polydeoxyribonucleotide synthase [ATP] 3 [Mus musculus]" . . . . . 100.00 1015 97.44 98.29 3.32e-70 . . . . 6035 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'DNA ligase III zinc finger' common 6035 1 'DL3 alpha' abbreviation 6035 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 6035 1 2 . ALA . 6035 1 3 . GLU . 6035 1 4 . GLN . 6035 1 5 . ARG . 6035 1 6 . PHE . 6035 1 7 . CYS . 6035 1 8 . VAL . 6035 1 9 . ASP . 6035 1 10 . TYR . 6035 1 11 . ALA . 6035 1 12 . LYS . 6035 1 13 . ARG . 6035 1 14 . GLY . 6035 1 15 . THR . 6035 1 16 . ALA . 6035 1 17 . GLY . 6035 1 18 . CYS . 6035 1 19 . LYS . 6035 1 20 . LYS . 6035 1 21 . CYS . 6035 1 22 . LYS . 6035 1 23 . GLU . 6035 1 24 . LYS . 6035 1 25 . ILE . 6035 1 26 . VAL . 6035 1 27 . LYS . 6035 1 28 . GLY . 6035 1 29 . VAL . 6035 1 30 . CYS . 6035 1 31 . ARG . 6035 1 32 . ILE . 6035 1 33 . GLY . 6035 1 34 . LYS . 6035 1 35 . VAL . 6035 1 36 . VAL . 6035 1 37 . PRO . 6035 1 38 . ASN . 6035 1 39 . PRO . 6035 1 40 . PHE . 6035 1 41 . SER . 6035 1 42 . GLU . 6035 1 43 . SER . 6035 1 44 . GLY . 6035 1 45 . GLY . 6035 1 46 . ASP . 6035 1 47 . MET . 6035 1 48 . LYS . 6035 1 49 . GLU . 6035 1 50 . TRP . 6035 1 51 . TYR . 6035 1 52 . HIS . 6035 1 53 . ILE . 6035 1 54 . LYS . 6035 1 55 . CYS . 6035 1 56 . MET . 6035 1 57 . PHE . 6035 1 58 . GLU . 6035 1 59 . LYS . 6035 1 60 . LEU . 6035 1 61 . GLU . 6035 1 62 . ARG . 6035 1 63 . ALA . 6035 1 64 . ARG . 6035 1 65 . ALA . 6035 1 66 . THR . 6035 1 67 . THR . 6035 1 68 . LYS . 6035 1 69 . LYS . 6035 1 70 . ILE . 6035 1 71 . GLU . 6035 1 72 . ASP . 6035 1 73 . LEU . 6035 1 74 . THR . 6035 1 75 . GLU . 6035 1 76 . LEU . 6035 1 77 . GLU . 6035 1 78 . GLY . 6035 1 79 . TRP . 6035 1 80 . GLU . 6035 1 81 . GLU . 6035 1 82 . LEU . 6035 1 83 . GLU . 6035 1 84 . ASP . 6035 1 85 . ASN . 6035 1 86 . GLU . 6035 1 87 . LYS . 6035 1 88 . GLU . 6035 1 89 . GLN . 6035 1 90 . ILE . 6035 1 91 . THR . 6035 1 92 . GLN . 6035 1 93 . HIS . 6035 1 94 . ILE . 6035 1 95 . ALA . 6035 1 96 . ASP . 6035 1 97 . LEU . 6035 1 98 . SER . 6035 1 99 . SER . 6035 1 100 . LYS . 6035 1 101 . ALA . 6035 1 102 . ALA . 6035 1 103 . GLY . 6035 1 104 . THR . 6035 1 105 . PRO . 6035 1 106 . LYS . 6035 1 107 . LYS . 6035 1 108 . LYS . 6035 1 109 . ALA . 6035 1 110 . VAL . 6035 1 111 . VAL . 6035 1 112 . GLN . 6035 1 113 . ALA . 6035 1 114 . LYS . 6035 1 115 . LEU . 6035 1 116 . THR . 6035 1 117 . THR . 6035 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 6035 1 . ALA 2 2 6035 1 . GLU 3 3 6035 1 . GLN 4 4 6035 1 . ARG 5 5 6035 1 . PHE 6 6 6035 1 . CYS 7 7 6035 1 . VAL 8 8 6035 1 . ASP 9 9 6035 1 . TYR 10 10 6035 1 . ALA 11 11 6035 1 . LYS 12 12 6035 1 . ARG 13 13 6035 1 . GLY 14 14 6035 1 . THR 15 15 6035 1 . ALA 16 16 6035 1 . GLY 17 17 6035 1 . CYS 18 18 6035 1 . LYS 19 19 6035 1 . LYS 20 20 6035 1 . CYS 21 21 6035 1 . LYS 22 22 6035 1 . GLU 23 23 6035 1 . LYS 24 24 6035 1 . ILE 25 25 6035 1 . VAL 26 26 6035 1 . LYS 27 27 6035 1 . GLY 28 28 6035 1 . VAL 29 29 6035 1 . CYS 30 30 6035 1 . ARG 31 31 6035 1 . ILE 32 32 6035 1 . GLY 33 33 6035 1 . LYS 34 34 6035 1 . VAL 35 35 6035 1 . VAL 36 36 6035 1 . PRO 37 37 6035 1 . ASN 38 38 6035 1 . PRO 39 39 6035 1 . PHE 40 40 6035 1 . SER 41 41 6035 1 . GLU 42 42 6035 1 . SER 43 43 6035 1 . GLY 44 44 6035 1 . GLY 45 45 6035 1 . ASP 46 46 6035 1 . MET 47 47 6035 1 . LYS 48 48 6035 1 . GLU 49 49 6035 1 . TRP 50 50 6035 1 . TYR 51 51 6035 1 . HIS 52 52 6035 1 . ILE 53 53 6035 1 . LYS 54 54 6035 1 . CYS 55 55 6035 1 . MET 56 56 6035 1 . PHE 57 57 6035 1 . GLU 58 58 6035 1 . LYS 59 59 6035 1 . LEU 60 60 6035 1 . GLU 61 61 6035 1 . ARG 62 62 6035 1 . ALA 63 63 6035 1 . ARG 64 64 6035 1 . ALA 65 65 6035 1 . THR 66 66 6035 1 . THR 67 67 6035 1 . LYS 68 68 6035 1 . LYS 69 69 6035 1 . ILE 70 70 6035 1 . GLU 71 71 6035 1 . ASP 72 72 6035 1 . LEU 73 73 6035 1 . THR 74 74 6035 1 . GLU 75 75 6035 1 . LEU 76 76 6035 1 . GLU 77 77 6035 1 . GLY 78 78 6035 1 . TRP 79 79 6035 1 . GLU 80 80 6035 1 . GLU 81 81 6035 1 . LEU 82 82 6035 1 . GLU 83 83 6035 1 . ASP 84 84 6035 1 . ASN 85 85 6035 1 . GLU 86 86 6035 1 . LYS 87 87 6035 1 . GLU 88 88 6035 1 . GLN 89 89 6035 1 . ILE 90 90 6035 1 . THR 91 91 6035 1 . GLN 92 92 6035 1 . HIS 93 93 6035 1 . ILE 94 94 6035 1 . ALA 95 95 6035 1 . ASP 96 96 6035 1 . LEU 97 97 6035 1 . SER 98 98 6035 1 . SER 99 99 6035 1 . LYS 100 100 6035 1 . ALA 101 101 6035 1 . ALA 102 102 6035 1 . GLY 103 103 6035 1 . THR 104 104 6035 1 . PRO 105 105 6035 1 . LYS 106 106 6035 1 . LYS 107 107 6035 1 . LYS 108 108 6035 1 . ALA 109 109 6035 1 . VAL 110 110 6035 1 . VAL 111 111 6035 1 . GLN 112 112 6035 1 . ALA 113 113 6035 1 . LYS 114 114 6035 1 . LEU 115 115 6035 1 . THR 116 116 6035 1 . THR 117 117 6035 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 6035 _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 . 6035 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 6035 _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 $DL3_alpha . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6035 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 6035 _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 $DL3_alpha . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6035 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 6035 _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 Mon Jun 20 12:12:44 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 [Zn+2] SMILES ACDLabs 10.04 6035 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 6035 ZN [Zn++] SMILES CACTVS 3.341 6035 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 6035 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 6035 ZN InChI=1S/Zn/q+2 InChI InChI 1.03 6035 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 6035 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 6035 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 6035 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 . 6035 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6035 _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 'DNA ligase III zinc finger' '[U-98% 15N]' . . 1 $DL3_alpha . . . 1 1.5 mM . . . . 6035 1 2 'ZINC (II) ION' . . . 2 $ZN . . . 1 1.5 mM . . . . 6035 1 3 'sodium pyrophosphate' . . . . . . . 20 . . mM . . . . 6035 1 4 2H10-dithiothreitol . . . . . . . 4 . . mM . . . . 6035 1 5 'zinc chloride' . . . . . . . 1 . . mM . . . . 6035 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6035 _Sample.ID 2 _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 'DNA ligase III zinc finger' . . . 1 $DL3_alpha . . . 1 1.5 mM . . . . 6035 2 2 'ZINC (II) ION' . . . 2 $ZN . . . 1 1.5 mM . . . . 6035 2 3 'sodium pyrophosphate' . . . . . . . 20 . . mM . . . . 6035 2 4 '2H10 dithiothreitol' . . . . . . . 4 . . mM . . . . 6035 2 5 'zinc chloride' . . . . . . . 1 . . mM . . . . 6035 2 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 6035 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.8 0.2 n/a 6035 1 temperature 300 1 K 6035 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 6035 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID acquiring 6035 1 'processing of data' 6035 1 stop_ save_ save_Sparky _Software.Sf_category software _Software.Sf_framecode Sparky _Software.Entry_ID 6035 _Software.ID 2 _Software.Name Sparky _Software.Version 3.106 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'analysing data' 6035 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 6035 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 6035 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 6035 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6035 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker Avance . 800 . . . 6035 1 2 NMR_spectrometer_2 Bruker DMX . 600 . . . 6035 1 3 NMR_spectrometer_3 Bruker DMX . 500 . . . 6035 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 6035 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H NOESY' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6035 1 2 '2D 1H-1H TOCSY' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6035 1 3 '2D 1H-1H 2QF COSY' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6035 1 4 '2D 15N-1H HSQC' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6035 1 5 '2D 13C-1H HSQC' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6035 1 6 '3D CBCANH' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6035 1 7 '3D CBCA(CO)NH' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6035 1 8 '3D HBHANH' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6035 1 9 '3D HBHA(CO)NH' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6035 1 10 '3D HCCH-TOCSY' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6035 1 11 '3D HCCH-COSY' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6035 1 12 '3D 15N NOESY-HSQC' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6035 1 13 '3D 15N HSQC-NOESY-HSQC' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6035 1 14 '3D 13C NOESY-HSQC' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6035 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 6035 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D 1H-1H NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'DRX 500 was fitted with a cryoprobe' save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6035 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D 1H-1H TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'DRX 500 was fitted with a cryoprobe' save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6035 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '2D 1H-1H 2QF COSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'DRX 500 was fitted with a cryoprobe' save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6035 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '2D 15N-1H HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'DRX 500 was fitted with a cryoprobe' save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 6035 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '2D 13C-1H HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'DRX 500 was fitted with a cryoprobe' save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 6035 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D CBCANH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'DRX 500 was fitted with a cryoprobe' save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 6035 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '3D CBCA(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'DRX 500 was fitted with a cryoprobe' save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 6035 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '3D HBHANH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'DRX 500 was fitted with a cryoprobe' save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 6035 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '3D HBHA(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'DRX 500 was fitted with a cryoprobe' save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 6035 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '3D HCCH-TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'DRX 500 was fitted with a cryoprobe' save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 6035 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '3D HCCH-COSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'DRX 500 was fitted with a cryoprobe' save_ save_NMR_spec_expt__0_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 6035 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name '3D 15N NOESY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'DRX 500 was fitted with a cryoprobe' save_ save_NMR_spec_expt__0_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_13 _NMR_spec_expt.Entry_ID 6035 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name '3D 15N HSQC-NOESY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'DRX 500 was fitted with a cryoprobe' save_ save_NMR_spec_expt__0_14 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_14 _NMR_spec_expt.Entry_ID 6035 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name '3D 13C NOESY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'DRX 500 was fitted with a cryoprobe' save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6035 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6035 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 6035 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 6035 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 6035 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 6035 1 . . 2 $sample_2 . 6035 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 4 4 GLN H H 1 8.36 0.02 . 1 . . . . . . . . 6035 1 2 . 1 1 4 4 GLN HA H 1 4.22 0.02 . 1 . . . . . . . . 6035 1 3 . 1 1 4 4 GLN HB2 H 1 1.79 0.02 . 2 . . . . . . . . 6035 1 4 . 1 1 4 4 GLN HB3 H 1 1.76 0.02 . 2 . . . . . . . . 6035 1 5 . 1 1 4 4 GLN C C 13 172.1 0.2 . 1 . . . . . . . . 6035 1 6 . 1 1 4 4 GLN CA C 13 53.8 0.2 . 1 . . . . . . . . 6035 1 7 . 1 1 4 4 GLN CB C 13 27.8 0.2 . 1 . . . . . . . . 6035 1 8 . 1 1 4 4 GLN N N 15 121.5 0.2 . 1 . . . . . . . . 6035 1 9 . 1 1 5 5 ARG H H 1 8.26 0.02 . 1 . . . . . . . . 6035 1 10 . 1 1 5 5 ARG HA H 1 4.45 0.02 . 1 . . . . . . . . 6035 1 11 . 1 1 5 5 ARG HB2 H 1 1.51 0.02 . 2 . . . . . . . . 6035 1 12 . 1 1 5 5 ARG C C 13 172.1 0.2 . 1 . . . . . . . . 6035 1 13 . 1 1 5 5 ARG CA C 13 53.2 0.2 . 1 . . . . . . . . 6035 1 14 . 1 1 5 5 ARG CB C 13 30.4 0.2 . 1 . . . . . . . . 6035 1 15 . 1 1 5 5 ARG N N 15 123.3 0.2 . 1 . . . . . . . . 6035 1 16 . 1 1 6 6 PHE H H 1 8.93 0.02 . 1 . . . . . . . . 6035 1 17 . 1 1 6 6 PHE HA H 1 5.63 0.02 . 1 . . . . . . . . 6035 1 18 . 1 1 6 6 PHE HB2 H 1 2.75 0.02 . 2 . . . . . . . . 6035 1 19 . 1 1 6 6 PHE HB3 H 1 2.97 0.02 . 2 . . . . . . . . 6035 1 20 . 1 1 6 6 PHE HD1 H 1 7.06 0.02 . 1 . . . . . . . . 6035 1 21 . 1 1 6 6 PHE HE1 H 1 6.88 0.02 . 1 . . . . . . . . 6035 1 22 . 1 1 6 6 PHE HZ H 1 6.99 0.02 . 1 . . . . . . . . 6035 1 23 . 1 1 6 6 PHE C C 13 172.8 0.2 . 1 . . . . . . . . 6035 1 24 . 1 1 6 6 PHE CA C 13 53.9 0.2 . 1 . . . . . . . . 6035 1 25 . 1 1 6 6 PHE CB C 13 41.9 0.2 . 1 . . . . . . . . 6035 1 26 . 1 1 6 6 PHE CD1 C 13 130.0 0.2 . 1 . . . . . . . . 6035 1 27 . 1 1 6 6 PHE CE1 C 13 128.3 0.2 . 1 . . . . . . . . 6035 1 28 . 1 1 6 6 PHE CZ C 13 126.9 0.2 . 1 . . . . . . . . 6035 1 29 . 1 1 6 6 PHE N N 15 119.5 0.2 . 1 . . . . . . . . 6035 1 30 . 1 1 7 7 CYS H H 1 9.29 0.02 . 1 . . . . . . . . 6035 1 31 . 1 1 7 7 CYS HA H 1 5.70 0.02 . 1 . . . . . . . . 6035 1 32 . 1 1 7 7 CYS HB2 H 1 2.76 0.02 . 2 . . . . . . . . 6035 1 33 . 1 1 7 7 CYS HB3 H 1 3.12 0.02 . 2 . . . . . . . . 6035 1 34 . 1 1 7 7 CYS C C 13 169.9 0.2 . 1 . . . . . . . . 6035 1 35 . 1 1 7 7 CYS CA C 13 53.3 0.2 . 1 . . . . . . . . 6035 1 36 . 1 1 7 7 CYS CB C 13 30.0 0.2 . 1 . . . . . . . . 6035 1 37 . 1 1 7 7 CYS N N 15 116.8 0.2 . 1 . . . . . . . . 6035 1 38 . 1 1 8 8 VAL H H 1 8.89 0.02 . 1 . . . . . . . . 6035 1 39 . 1 1 8 8 VAL HA H 1 5.71 0.02 . 1 . . . . . . . . 6035 1 40 . 1 1 8 8 VAL HB H 1 1.98 0.02 . 1 . . . . . . . . 6035 1 41 . 1 1 8 8 VAL HG21 H 1 0.70 0.02 . 1 . . . . . . . . 6035 1 42 . 1 1 8 8 VAL HG22 H 1 0.70 0.02 . 1 . . . . . . . . 6035 1 43 . 1 1 8 8 VAL HG23 H 1 0.70 0.02 . 1 . . . . . . . . 6035 1 44 . 1 1 8 8 VAL C C 13 170.2 0.2 . 1 . . . . . . . . 6035 1 45 . 1 1 8 8 VAL CA C 13 57.1 0.2 . 1 . . . . . . . . 6035 1 46 . 1 1 8 8 VAL CB C 13 33.7 0.2 . 1 . . . . . . . . 6035 1 47 . 1 1 8 8 VAL CG2 C 13 17.7 0.2 . 1 . . . . . . . . 6035 1 48 . 1 1 8 8 VAL N N 15 118.6 0.2 . 1 . . . . . . . . 6035 1 49 . 1 1 9 9 ASP H H 1 8.77 0.02 . 1 . . . . . . . . 6035 1 50 . 1 1 9 9 ASP HA H 1 4.19 0.02 . 1 . . . . . . . . 6035 1 51 . 1 1 9 9 ASP HB2 H 1 2.92 0.02 . 2 . . . . . . . . 6035 1 52 . 1 1 9 9 ASP C C 13 171.0 0.2 . 1 . . . . . . . . 6035 1 53 . 1 1 9 9 ASP CA C 13 51.2 0.2 . 1 . . . . . . . . 6035 1 54 . 1 1 9 9 ASP CB C 13 39.2 0.2 . 1 . . . . . . . . 6035 1 55 . 1 1 9 9 ASP N N 15 127.3 0.2 . 1 . . . . . . . . 6035 1 56 . 1 1 10 10 TYR H H 1 7.40 0.02 . 1 . . . . . . . . 6035 1 57 . 1 1 10 10 TYR HA H 1 4.72 0.02 . 1 . . . . . . . . 6035 1 58 . 1 1 10 10 TYR HB2 H 1 2.35 0.02 . 2 . . . . . . . . 6035 1 59 . 1 1 10 10 TYR HB3 H 1 2.57 0.02 . 2 . . . . . . . . 6035 1 60 . 1 1 10 10 TYR HD1 H 1 7.11 0.02 . 1 . . . . . . . . 6035 1 61 . 1 1 10 10 TYR HE1 H 1 6.83 0.02 . 1 . . . . . . . . 6035 1 62 . 1 1 10 10 TYR C C 13 174.1 0.2 . 1 . . . . . . . . 6035 1 63 . 1 1 10 10 TYR CA C 13 54.5 0.2 . 1 . . . . . . . . 6035 1 64 . 1 1 10 10 TYR CB C 13 37.3 0.2 . 1 . . . . . . . . 6035 1 65 . 1 1 10 10 TYR CD1 C 13 131.7 0.2 . 1 . . . . . . . . 6035 1 66 . 1 1 10 10 TYR CE1 C 13 114.7 0.2 . 1 . . . . . . . . 6035 1 67 . 1 1 10 10 TYR N N 15 111.1 0.2 . 1 . . . . . . . . 6035 1 68 . 1 1 11 11 ALA H H 1 8.29 0.02 . 1 . . . . . . . . 6035 1 69 . 1 1 11 11 ALA HA H 1 4.26 0.02 . 1 . . . . . . . . 6035 1 70 . 1 1 11 11 ALA HB1 H 1 1.14 0.02 . 1 . . . . . . . . 6035 1 71 . 1 1 11 11 ALA HB2 H 1 1.14 0.02 . 1 . . . . . . . . 6035 1 72 . 1 1 11 11 ALA HB3 H 1 1.14 0.02 . 1 . . . . . . . . 6035 1 73 . 1 1 11 11 ALA C C 13 173.5 0.2 . 1 . . . . . . . . 6035 1 74 . 1 1 11 11 ALA CA C 13 51.3 0.2 . 1 . . . . . . . . 6035 1 75 . 1 1 11 11 ALA CB C 13 16.2 0.2 . 1 . . . . . . . . 6035 1 76 . 1 1 11 11 ALA N N 15 124.2 0.2 . 1 . . . . . . . . 6035 1 77 . 1 1 12 12 LYS H H 1 8.73 0.02 . 1 . . . . . . . . 6035 1 78 . 1 1 12 12 LYS HA H 1 4.70 0.02 . 1 . . . . . . . . 6035 1 79 . 1 1 12 12 LYS HB2 H 1 2.03 0.02 . 2 . . . . . . . . 6035 1 80 . 1 1 12 12 LYS CA C 13 55.9 0.2 . 1 . . . . . . . . 6035 1 81 . 1 1 12 12 LYS CB C 13 31.1 0.2 . 1 . . . . . . . . 6035 1 82 . 1 1 12 12 LYS N N 15 125.2 0.2 . 1 . . . . . . . . 6035 1 83 . 1 1 13 13 ARG H H 1 9.17 0.02 . 1 . . . . . . . . 6035 1 84 . 1 1 14 14 GLY H H 1 7.44 0.02 . 1 . . . . . . . . 6035 1 85 . 1 1 14 14 GLY HA2 H 1 3.84 0.02 . 2 . . . . . . . . 6035 1 86 . 1 1 14 14 GLY HA3 H 1 4.57 0.02 . 2 . . . . . . . . 6035 1 87 . 1 1 14 14 GLY C C 13 172.8 0.2 . 1 . . . . . . . . 6035 1 88 . 1 1 14 14 GLY CA C 13 44.0 0.2 . 1 . . . . . . . . 6035 1 89 . 1 1 14 14 GLY N N 15 117.3 0.2 . 1 . . . . . . . . 6035 1 90 . 1 1 15 15 THR H H 1 7.80 0.02 . 1 . . . . . . . . 6035 1 91 . 1 1 15 15 THR HA H 1 4.13 0.02 . 1 . . . . . . . . 6035 1 92 . 1 1 15 15 THR HB H 1 4.25 0.02 . 1 . . . . . . . . 6035 1 93 . 1 1 15 15 THR HG21 H 1 1.04 0.02 . 1 . . . . . . . . 6035 1 94 . 1 1 15 15 THR HG22 H 1 1.04 0.02 . 1 . . . . . . . . 6035 1 95 . 1 1 15 15 THR HG23 H 1 1.04 0.02 . 1 . . . . . . . . 6035 1 96 . 1 1 15 15 THR C C 13 170.2 0.2 . 1 . . . . . . . . 6035 1 97 . 1 1 15 15 THR CA C 13 59.9 0.2 . 1 . . . . . . . . 6035 1 98 . 1 1 15 15 THR CB C 13 67.5 0.2 . 1 . . . . . . . . 6035 1 99 . 1 1 15 15 THR CG2 C 13 19.9 0.2 . 1 . . . . . . . . 6035 1 100 . 1 1 15 15 THR N N 15 109.0 0.2 . 1 . . . . . . . . 6035 1 101 . 1 1 16 16 ALA H H 1 8.76 0.02 . 1 . . . . . . . . 6035 1 102 . 1 1 16 16 ALA HA H 1 4.44 0.02 . 1 . . . . . . . . 6035 1 103 . 1 1 16 16 ALA HB1 H 1 1.23 0.02 . 1 . . . . . . . . 6035 1 104 . 1 1 16 16 ALA HB2 H 1 1.23 0.02 . 1 . . . . . . . . 6035 1 105 . 1 1 16 16 ALA HB3 H 1 1.23 0.02 . 1 . . . . . . . . 6035 1 106 . 1 1 16 16 ALA C C 13 174.3 0.2 . 1 . . . . . . . . 6035 1 107 . 1 1 16 16 ALA CA C 13 49.8 0.2 . 1 . . . . . . . . 6035 1 108 . 1 1 16 16 ALA CB C 13 17.9 0.2 . 1 . . . . . . . . 6035 1 109 . 1 1 16 16 ALA N N 15 127.5 0.2 . 1 . . . . . . . . 6035 1 110 . 1 1 17 17 GLY H H 1 8.37 0.02 . 1 . . . . . . . . 6035 1 111 . 1 1 17 17 GLY HA2 H 1 3.23 0.02 . 2 . . . . . . . . 6035 1 112 . 1 1 17 17 GLY HA3 H 1 4.11 0.02 . 2 . . . . . . . . 6035 1 113 . 1 1 17 17 GLY C C 13 170.0 0.2 . 1 . . . . . . . . 6035 1 114 . 1 1 17 17 GLY CA C 13 41.3 0.2 . 1 . . . . . . . . 6035 1 115 . 1 1 17 17 GLY N N 15 107.6 0.2 . 1 . . . . . . . . 6035 1 116 . 1 1 18 18 CYS H H 1 8.14 0.02 . 1 . . . . . . . . 6035 1 117 . 1 1 18 18 CYS HA H 1 4.43 0.02 . 1 . . . . . . . . 6035 1 118 . 1 1 18 18 CYS HB2 H 1 2.21 0.02 . 2 . . . . . . . . 6035 1 119 . 1 1 18 18 CYS HB3 H 1 3.41 0.02 . 2 . . . . . . . . 6035 1 120 . 1 1 18 18 CYS C C 13 176.2 0.2 . 1 . . . . . . . . 6035 1 121 . 1 1 18 18 CYS CA C 13 55.4 0.2 . 1 . . . . . . . . 6035 1 122 . 1 1 18 18 CYS CB C 13 28.6 0.2 . 1 . . . . . . . . 6035 1 123 . 1 1 18 18 CYS N N 15 124.6 0.2 . 1 . . . . . . . . 6035 1 124 . 1 1 19 19 LYS H H 1 8.54 0.02 . 1 . . . . . . . . 6035 1 125 . 1 1 19 19 LYS HA H 1 3.83 0.02 . 1 . . . . . . . . 6035 1 126 . 1 1 19 19 LYS HB2 H 1 1.05 0.02 . 2 . . . . . . . . 6035 1 127 . 1 1 19 19 LYS HB3 H 1 1.27 0.02 . 2 . . . . . . . . 6035 1 128 . 1 1 19 19 LYS HG2 H 1 1.39 0.02 . 2 . . . . . . . . 6035 1 129 . 1 1 19 19 LYS HD2 H 1 1.51 0.02 . 2 . . . . . . . . 6035 1 130 . 1 1 19 19 LYS HE2 H 1 2.92 0.02 . 2 . . . . . . . . 6035 1 131 . 1 1 19 19 LYS C C 13 173.9 0.2 . 1 . . . . . . . . 6035 1 132 . 1 1 19 19 LYS CA C 13 55.7 0.2 . 1 . . . . . . . . 6035 1 133 . 1 1 19 19 LYS CB C 13 29.5 0.2 . 1 . . . . . . . . 6035 1 134 . 1 1 19 19 LYS N N 15 131.4 0.2 . 1 . . . . . . . . 6035 1 135 . 1 1 20 20 LYS H H 1 8.21 0.02 . 1 . . . . . . . . 6035 1 136 . 1 1 20 20 LYS HA H 1 4.57 0.02 . 1 . . . . . . . . 6035 1 137 . 1 1 20 20 LYS HB2 H 1 1.95 0.02 . 2 . . . . . . . . 6035 1 138 . 1 1 20 20 LYS HB3 H 1 2.16 0.02 . 2 . . . . . . . . 6035 1 139 . 1 1 20 20 LYS HG2 H 1 1.54 0.02 . 2 . . . . . . . . 6035 1 140 . 1 1 20 20 LYS HD2 H 1 1.65 0.02 . 2 . . . . . . . . 6035 1 141 . 1 1 20 20 LYS HE2 H 1 2.96 0.02 . 2 . . . . . . . . 6035 1 142 . 1 1 20 20 LYS C C 13 174.4 0.2 . 1 . . . . . . . . 6035 1 143 . 1 1 20 20 LYS CA C 13 56.1 0.2 . 1 . . . . . . . . 6035 1 144 . 1 1 20 20 LYS CB C 13 32.4 0.2 . 1 . . . . . . . . 6035 1 145 . 1 1 20 20 LYS N N 15 118.7 0.2 . 1 . . . . . . . . 6035 1 146 . 1 1 21 21 CYS H H 1 8.23 0.02 . 1 . . . . . . . . 6035 1 147 . 1 1 21 21 CYS HA H 1 4.82 0.02 . 1 . . . . . . . . 6035 1 148 . 1 1 21 21 CYS HB2 H 1 3.35 0.02 . 2 . . . . . . . . 6035 1 149 . 1 1 21 21 CYS C C 13 173.8 0.2 . 1 . . . . . . . . 6035 1 150 . 1 1 21 21 CYS CA C 13 57.4 0.2 . 1 . . . . . . . . 6035 1 151 . 1 1 21 21 CYS CB C 13 28.6 0.2 . 1 . . . . . . . . 6035 1 152 . 1 1 21 21 CYS N N 15 117.3 0.2 . 1 . . . . . . . . 6035 1 153 . 1 1 22 22 LYS H H 1 7.71 0.02 . 1 . . . . . . . . 6035 1 154 . 1 1 22 22 LYS HA H 1 4.03 0.02 . 1 . . . . . . . . 6035 1 155 . 1 1 22 22 LYS HB2 H 1 1.95 0.02 . 2 . . . . . . . . 6035 1 156 . 1 1 22 22 LYS C C 13 173.6 0.2 . 1 . . . . . . . . 6035 1 157 . 1 1 22 22 LYS CA C 13 55.7 0.2 . 1 . . . . . . . . 6035 1 158 . 1 1 22 22 LYS CB C 13 30.2 0.2 . 1 . . . . . . . . 6035 1 159 . 1 1 22 22 LYS N N 15 115.0 0.2 . 1 . . . . . . . . 6035 1 160 . 1 1 23 23 GLU H H 1 8.26 0.02 . 1 . . . . . . . . 6035 1 161 . 1 1 23 23 GLU HA H 1 4.52 0.02 . 1 . . . . . . . . 6035 1 162 . 1 1 23 23 GLU HB2 H 1 2.19 0.02 . 2 . . . . . . . . 6035 1 163 . 1 1 23 23 GLU HG2 H 1 2.42 0.02 . 2 . . . . . . . . 6035 1 164 . 1 1 23 23 GLU C C 13 174.1 0.2 . 1 . . . . . . . . 6035 1 165 . 1 1 23 23 GLU CA C 13 53.4 0.2 . 1 . . . . . . . . 6035 1 166 . 1 1 23 23 GLU CB C 13 28.8 0.2 . 1 . . . . . . . . 6035 1 167 . 1 1 23 23 GLU CG C 13 33.9 0.2 . 1 . . . . . . . . 6035 1 168 . 1 1 23 23 GLU N N 15 120.9 0.2 . 1 . . . . . . . . 6035 1 169 . 1 1 24 24 LYS H H 1 8.56 0.02 . 1 . . . . . . . . 6035 1 170 . 1 1 24 24 LYS HA H 1 4.14 0.02 . 1 . . . . . . . . 6035 1 171 . 1 1 24 24 LYS HB2 H 1 1.45 0.02 . 2 . . . . . . . . 6035 1 172 . 1 1 24 24 LYS HD2 H 1 1.66 0.02 . 2 . . . . . . . . 6035 1 173 . 1 1 24 24 LYS HE2 H 1 2.93 0.02 . 2 . . . . . . . . 6035 1 174 . 1 1 24 24 LYS C C 13 174.6 0.2 . 1 . . . . . . . . 6035 1 175 . 1 1 24 24 LYS CA C 13 54.1 0.2 . 1 . . . . . . . . 6035 1 176 . 1 1 24 24 LYS CB C 13 30.3 0.2 . 1 . . . . . . . . 6035 1 177 . 1 1 24 24 LYS N N 15 119.7 0.2 . 1 . . . . . . . . 6035 1 178 . 1 1 25 25 ILE H H 1 8.41 0.02 . 1 . . . . . . . . 6035 1 179 . 1 1 25 25 ILE HA H 1 4.02 0.02 . 1 . . . . . . . . 6035 1 180 . 1 1 25 25 ILE HB H 1 1.36 0.02 . 1 . . . . . . . . 6035 1 181 . 1 1 25 25 ILE HG12 H 1 1.18 0.02 . 2 . . . . . . . . 6035 1 182 . 1 1 25 25 ILE HG21 H 1 -0.42 0.02 . 1 . . . . . . . . 6035 1 183 . 1 1 25 25 ILE HG22 H 1 -0.42 0.02 . 1 . . . . . . . . 6035 1 184 . 1 1 25 25 ILE HG23 H 1 -0.42 0.02 . 1 . . . . . . . . 6035 1 185 . 1 1 25 25 ILE HD11 H 1 0.21 0.02 . 1 . . . . . . . . 6035 1 186 . 1 1 25 25 ILE HD12 H 1 0.21 0.02 . 1 . . . . . . . . 6035 1 187 . 1 1 25 25 ILE HD13 H 1 0.21 0.02 . 1 . . . . . . . . 6035 1 188 . 1 1 25 25 ILE C C 13 172.7 0.2 . 1 . . . . . . . . 6035 1 189 . 1 1 25 25 ILE CA C 13 58.9 0.2 . 1 . . . . . . . . 6035 1 190 . 1 1 25 25 ILE CB C 13 34.5 0.2 . 1 . . . . . . . . 6035 1 191 . 1 1 25 25 ILE CG1 C 13 24.8 0.2 . 1 . . . . . . . . 6035 1 192 . 1 1 25 25 ILE CG2 C 13 15.9 0.2 . 1 . . . . . . . . 6035 1 193 . 1 1 25 25 ILE CD1 C 13 12.3 0.2 . 1 . . . . . . . . 6035 1 194 . 1 1 25 25 ILE N N 15 125.3 0.2 . 1 . . . . . . . . 6035 1 195 . 1 1 26 26 VAL H H 1 7.29 0.02 . 1 . . . . . . . . 6035 1 196 . 1 1 26 26 VAL HA H 1 3.83 0.02 . 1 . . . . . . . . 6035 1 197 . 1 1 26 26 VAL HB H 1 2.19 0.02 . 1 . . . . . . . . 6035 1 198 . 1 1 26 26 VAL HG11 H 1 0.91 0.02 . 1 . . . . . . . . 6035 1 199 . 1 1 26 26 VAL HG12 H 1 0.91 0.02 . 1 . . . . . . . . 6035 1 200 . 1 1 26 26 VAL HG13 H 1 0.91 0.02 . 1 . . . . . . . . 6035 1 201 . 1 1 26 26 VAL HG21 H 1 0.96 0.02 . 1 . . . . . . . . 6035 1 202 . 1 1 26 26 VAL HG22 H 1 0.96 0.02 . 1 . . . . . . . . 6035 1 203 . 1 1 26 26 VAL HG23 H 1 0.96 0.02 . 1 . . . . . . . . 6035 1 204 . 1 1 26 26 VAL C C 13 171.3 0.2 . 1 . . . . . . . . 6035 1 205 . 1 1 26 26 VAL CA C 13 60.0 0.2 . 1 . . . . . . . . 6035 1 206 . 1 1 26 26 VAL CB C 13 30.3 0.2 . 1 . . . . . . . . 6035 1 207 . 1 1 26 26 VAL CG1 C 13 19.4 0.2 . 1 . . . . . . . . 6035 1 208 . 1 1 26 26 VAL N N 15 120.7 0.2 . 1 . . . . . . . . 6035 1 209 . 1 1 27 27 LYS H H 1 7.82 0.02 . 1 . . . . . . . . 6035 1 210 . 1 1 27 27 LYS HA H 1 3.31 0.02 . 1 . . . . . . . . 6035 1 211 . 1 1 27 27 LYS HB2 H 1 1.47 0.02 . 2 . . . . . . . . 6035 1 212 . 1 1 27 27 LYS HG2 H 1 1.15 0.02 . 2 . . . . . . . . 6035 1 213 . 1 1 27 27 LYS HD2 H 1 1.59 0.02 . 2 . . . . . . . . 6035 1 214 . 1 1 27 27 LYS HE2 H 1 2.93 0.02 . 2 . . . . . . . . 6035 1 215 . 1 1 27 27 LYS C C 13 175.1 0.2 . 1 . . . . . . . . 6035 1 216 . 1 1 27 27 LYS CA C 13 56.4 0.2 . 1 . . . . . . . . 6035 1 217 . 1 1 27 27 LYS CB C 13 30.2 0.2 . 1 . . . . . . . . 6035 1 218 . 1 1 27 27 LYS CG C 13 22.2 0.2 . 1 . . . . . . . . 6035 1 219 . 1 1 27 27 LYS CE C 13 39.9 0.2 . 1 . . . . . . . . 6035 1 220 . 1 1 27 27 LYS N N 15 118.4 0.2 . 1 . . . . . . . . 6035 1 221 . 1 1 28 28 GLY H H 1 8.94 0.02 . 1 . . . . . . . . 6035 1 222 . 1 1 28 28 GLY HA2 H 1 3.51 0.02 . 2 . . . . . . . . 6035 1 223 . 1 1 28 28 GLY HA3 H 1 4.24 0.02 . 2 . . . . . . . . 6035 1 224 . 1 1 28 28 GLY C C 13 174.9 0.2 . 1 . . . . . . . . 6035 1 225 . 1 1 28 28 GLY CA C 13 42.5 0.2 . 1 . . . . . . . . 6035 1 226 . 1 1 28 28 GLY N N 15 113.3 0.2 . 1 . . . . . . . . 6035 1 227 . 1 1 29 29 VAL H H 1 7.93 0.02 . 1 . . . . . . . . 6035 1 228 . 1 1 29 29 VAL HA H 1 4.02 0.02 . 1 . . . . . . . . 6035 1 229 . 1 1 29 29 VAL HB H 1 2.3 0.02 . 1 . . . . . . . . 6035 1 230 . 1 1 29 29 VAL HG11 H 1 0.95 0.02 . 1 . . . . . . . . 6035 1 231 . 1 1 29 29 VAL HG12 H 1 0.95 0.02 . 1 . . . . . . . . 6035 1 232 . 1 1 29 29 VAL HG13 H 1 0.95 0.02 . 1 . . . . . . . . 6035 1 233 . 1 1 29 29 VAL HG21 H 1 1.19 0.02 . 1 . . . . . . . . 6035 1 234 . 1 1 29 29 VAL HG22 H 1 1.19 0.02 . 1 . . . . . . . . 6035 1 235 . 1 1 29 29 VAL HG23 H 1 1.19 0.02 . 1 . . . . . . . . 6035 1 236 . 1 1 29 29 VAL C C 13 172.5 0.2 . 1 . . . . . . . . 6035 1 237 . 1 1 29 29 VAL CA C 13 60.8 0.2 . 1 . . . . . . . . 6035 1 238 . 1 1 29 29 VAL CB C 13 29.6 0.2 . 1 . . . . . . . . 6035 1 239 . 1 1 29 29 VAL CG1 C 13 22.1 0.2 . 1 . . . . . . . . 6035 1 240 . 1 1 29 29 VAL CG2 C 13 20.1 0.2 . 1 . . . . . . . . 6035 1 241 . 1 1 29 29 VAL N N 15 122.8 0.2 . 1 . . . . . . . . 6035 1 242 . 1 1 30 30 CYS H H 1 8.66 0.02 . 1 . . . . . . . . 6035 1 243 . 1 1 30 30 CYS HA H 1 4.55 0.02 . 1 . . . . . . . . 6035 1 244 . 1 1 30 30 CYS HB2 H 1 2.79 0.02 . 2 . . . . . . . . 6035 1 245 . 1 1 30 30 CYS C C 13 169.3 0.2 . 1 . . . . . . . . 6035 1 246 . 1 1 30 30 CYS CA C 13 56.7 0.2 . 1 . . . . . . . . 6035 1 247 . 1 1 30 30 CYS CB C 13 26.3 0.2 . 1 . . . . . . . . 6035 1 248 . 1 1 30 30 CYS N N 15 127.3 0.2 . 1 . . . . . . . . 6035 1 249 . 1 1 31 31 ARG H H 1 8.93 0.02 . 1 . . . . . . . . 6035 1 250 . 1 1 31 31 ARG HA H 1 5.25 0.02 . 1 . . . . . . . . 6035 1 251 . 1 1 31 31 ARG HB2 H 1 1.56 0.02 . 2 . . . . . . . . 6035 1 252 . 1 1 31 31 ARG HG2 H 1 1.39 0.02 . 2 . . . . . . . . 6035 1 253 . 1 1 31 31 ARG HD2 H 1 1.56 0.02 . 2 . . . . . . . . 6035 1 254 . 1 1 31 31 ARG C C 13 171.0 0.2 . 1 . . . . . . . . 6035 1 255 . 1 1 31 31 ARG CA C 13 51.3 0.2 . 1 . . . . . . . . 6035 1 256 . 1 1 31 31 ARG CB C 13 31.0 0.2 . 1 . . . . . . . . 6035 1 257 . 1 1 31 31 ARG N N 15 125.0 0.2 . 1 . . . . . . . . 6035 1 258 . 1 1 32 32 ILE H H 1 8.83 0.02 . 1 . . . . . . . . 6035 1 259 . 1 1 32 32 ILE HA H 1 5.25 0.02 . 1 . . . . . . . . 6035 1 260 . 1 1 32 32 ILE HB H 1 1.34 0.02 . 1 . . . . . . . . 6035 1 261 . 1 1 32 32 ILE HG12 H 1 1.75 0.02 . 2 . . . . . . . . 6035 1 262 . 1 1 32 32 ILE HG21 H 1 0.95 0.02 . 1 . . . . . . . . 6035 1 263 . 1 1 32 32 ILE HG22 H 1 0.95 0.02 . 1 . . . . . . . . 6035 1 264 . 1 1 32 32 ILE HG23 H 1 0.95 0.02 . 1 . . . . . . . . 6035 1 265 . 1 1 32 32 ILE HD11 H 1 0.77 0.02 . 1 . . . . . . . . 6035 1 266 . 1 1 32 32 ILE HD12 H 1 0.77 0.02 . 1 . . . . . . . . 6035 1 267 . 1 1 32 32 ILE HD13 H 1 0.77 0.02 . 1 . . . . . . . . 6035 1 268 . 1 1 32 32 ILE C C 13 172.6 0.2 . 1 . . . . . . . . 6035 1 269 . 1 1 32 32 ILE CA C 13 57.3 0.2 . 1 . . . . . . . . 6035 1 270 . 1 1 32 32 ILE CB C 13 38.7 0.2 . 1 . . . . . . . . 6035 1 271 . 1 1 32 32 ILE CG2 C 13 16.1 0.2 . 1 . . . . . . . . 6035 1 272 . 1 1 32 32 ILE CD1 C 13 12.8 0.2 . 1 . . . . . . . . 6035 1 273 . 1 1 32 32 ILE N N 15 118.5 0.2 . 1 . . . . . . . . 6035 1 274 . 1 1 33 33 GLY H H 1 9.42 0.02 . 1 . . . . . . . . 6035 1 275 . 1 1 33 33 GLY HA2 H 1 2.33 0.02 . 2 . . . . . . . . 6035 1 276 . 1 1 33 33 GLY HA3 H 1 5.22 0.02 . 2 . . . . . . . . 6035 1 277 . 1 1 33 33 GLY C C 13 170.5 0.2 . 1 . . . . . . . . 6035 1 278 . 1 1 33 33 GLY CA C 13 41.7 0.2 . 1 . . . . . . . . 6035 1 279 . 1 1 33 33 GLY N N 15 116.6 0.2 . 1 . . . . . . . . 6035 1 280 . 1 1 34 34 LYS H H 1 8.71 0.02 . 1 . . . . . . . . 6035 1 281 . 1 1 34 34 LYS HA H 1 4.56 0.02 . 1 . . . . . . . . 6035 1 282 . 1 1 34 34 LYS HB2 H 1 1.47 0.02 . 2 . . . . . . . . 6035 1 283 . 1 1 34 34 LYS HB3 H 1 1.72 0.02 . 2 . . . . . . . . 6035 1 284 . 1 1 34 34 LYS HG2 H 1 1.05 0.02 . 2 . . . . . . . . 6035 1 285 . 1 1 34 34 LYS HD2 H 1 1.40 0.02 . 2 . . . . . . . . 6035 1 286 . 1 1 34 34 LYS C C 13 172.9 0.2 . 1 . . . . . . . . 6035 1 287 . 1 1 34 34 LYS CA C 13 52.8 0.2 . 1 . . . . . . . . 6035 1 288 . 1 1 34 34 LYS CB C 13 33.3 0.2 . 1 . . . . . . . . 6035 1 289 . 1 1 34 34 LYS N N 15 121.4 0.2 . 1 . . . . . . . . 6035 1 290 . 1 1 35 35 VAL H H 1 7.82 0.02 . 1 . . . . . . . . 6035 1 291 . 1 1 35 35 VAL HA H 1 4.18 0.02 . 1 . . . . . . . . 6035 1 292 . 1 1 35 35 VAL HB H 1 1.65 0.02 . 1 . . . . . . . . 6035 1 293 . 1 1 35 35 VAL HG11 H 1 0.95 0.02 . 1 . . . . . . . . 6035 1 294 . 1 1 35 35 VAL HG12 H 1 0.95 0.02 . 1 . . . . . . . . 6035 1 295 . 1 1 35 35 VAL HG13 H 1 0.95 0.02 . 1 . . . . . . . . 6035 1 296 . 1 1 35 35 VAL HG21 H 1 1.19 0.02 . 1 . . . . . . . . 6035 1 297 . 1 1 35 35 VAL HG22 H 1 1.19 0.02 . 1 . . . . . . . . 6035 1 298 . 1 1 35 35 VAL HG23 H 1 1.19 0.02 . 1 . . . . . . . . 6035 1 299 . 1 1 35 35 VAL C C 13 173.6 0.2 . 1 . . . . . . . . 6035 1 300 . 1 1 35 35 VAL CA C 13 60.2 0.2 . 1 . . . . . . . . 6035 1 301 . 1 1 35 35 VAL CB C 13 29.1 0.2 . 1 . . . . . . . . 6035 1 302 . 1 1 35 35 VAL CG1 C 13 22.1 0.2 . 1 . . . . . . . . 6035 1 303 . 1 1 35 35 VAL CG2 C 13 20.1 0.2 . 1 . . . . . . . . 6035 1 304 . 1 1 35 35 VAL N N 15 125.5 0.2 . 1 . . . . . . . . 6035 1 305 . 1 1 36 36 VAL H H 1 8.72 0.02 . 1 . . . . . . . . 6035 1 306 . 1 1 36 36 VAL HA H 1 4.68 0.02 . 1 . . . . . . . . 6035 1 307 . 1 1 36 36 VAL HB H 1 2.04 0.02 . 1 . . . . . . . . 6035 1 308 . 1 1 36 36 VAL HG11 H 1 0.61 0.02 . 1 . . . . . . . . 6035 1 309 . 1 1 36 36 VAL HG12 H 1 0.61 0.02 . 1 . . . . . . . . 6035 1 310 . 1 1 36 36 VAL HG13 H 1 0.61 0.02 . 1 . . . . . . . . 6035 1 311 . 1 1 36 36 VAL HG21 H 1 0.74 0.02 . 1 . . . . . . . . 6035 1 312 . 1 1 36 36 VAL HG22 H 1 0.74 0.02 . 1 . . . . . . . . 6035 1 313 . 1 1 36 36 VAL HG23 H 1 0.74 0.02 . 1 . . . . . . . . 6035 1 314 . 1 1 36 36 VAL C C 13 174.0 0.2 . 1 . . . . . . . . 6035 1 315 . 1 1 36 36 VAL CA C 13 55.9 0.2 . 1 . . . . . . . . 6035 1 316 . 1 1 36 36 VAL CB C 13 31.1 0.2 . 1 . . . . . . . . 6035 1 317 . 1 1 36 36 VAL CG1 C 13 16.7 0.2 . 1 . . . . . . . . 6035 1 318 . 1 1 36 36 VAL CG2 C 13 19.2 0.2 . 1 . . . . . . . . 6035 1 319 . 1 1 36 36 VAL N N 15 124.9 0.2 . 1 . . . . . . . . 6035 1 320 . 1 1 37 37 PRO HA H 1 4.34 0.02 . 1 . . . . . . . . 6035 1 321 . 1 1 37 37 PRO HB2 H 1 1.62 0.02 . 2 . . . . . . . . 6035 1 322 . 1 1 37 37 PRO HB3 H 1 2.18 0.02 . 2 . . . . . . . . 6035 1 323 . 1 1 37 37 PRO CA C 13 60.5 0.2 . 1 . . . . . . . . 6035 1 324 . 1 1 37 37 PRO CB C 13 29.8 0.2 . 1 . . . . . . . . 6035 1 325 . 1 1 38 38 ASN H H 1 8.44 0.02 . 1 . . . . . . . . 6035 1 326 . 1 1 38 38 ASN HA H 1 4.83 0.02 . 1 . . . . . . . . 6035 1 327 . 1 1 38 38 ASN HB2 H 1 2.34 0.02 . 2 . . . . . . . . 6035 1 328 . 1 1 38 38 ASN HB3 H 1 2.89 0.02 . 2 . . . . . . . . 6035 1 329 . 1 1 38 38 ASN CA C 13 48.0 0.2 . 1 . . . . . . . . 6035 1 330 . 1 1 38 38 ASN CB C 13 36.8 0.2 . 1 . . . . . . . . 6035 1 331 . 1 1 38 38 ASN N N 15 119.7 0.2 . 1 . . . . . . . . 6035 1 332 . 1 1 40 40 PHE H H 1 7.85 0.02 . 1 . . . . . . . . 6035 1 333 . 1 1 40 40 PHE HA H 1 4.61 0.02 . 1 . . . . . . . . 6035 1 334 . 1 1 40 40 PHE HB2 H 1 2.86 0.02 . 2 . . . . . . . . 6035 1 335 . 1 1 40 40 PHE HB3 H 1 3.31 0.02 . 2 . . . . . . . . 6035 1 336 . 1 1 40 40 PHE HD1 H 1 7.29 0.02 . 1 . . . . . . . . 6035 1 337 . 1 1 40 40 PHE HE1 H 1 7.26 0.02 . 1 . . . . . . . . 6035 1 338 . 1 1 40 40 PHE HZ H 1 7.24 0.02 . 1 . . . . . . . . 6035 1 339 . 1 1 40 40 PHE C C 13 173.6 0.2 . 1 . . . . . . . . 6035 1 340 . 1 1 40 40 PHE CA C 13 55.1 0.2 . 1 . . . . . . . . 6035 1 341 . 1 1 40 40 PHE CB C 13 36.5 0.2 . 1 . . . . . . . . 6035 1 342 . 1 1 40 40 PHE CD1 C 13 129.3 0.2 . 1 . . . . . . . . 6035 1 343 . 1 1 40 40 PHE CE1 C 13 129.3 0.2 . 1 . . . . . . . . 6035 1 344 . 1 1 40 40 PHE CZ C 13 127.6 0.2 . 1 . . . . . . . . 6035 1 345 . 1 1 40 40 PHE N N 15 116.8 0.2 . 1 . . . . . . . . 6035 1 346 . 1 1 41 41 SER H H 1 7.37 0.02 . 1 . . . . . . . . 6035 1 347 . 1 1 41 41 SER HA H 1 4.46 0.02 . 1 . . . . . . . . 6035 1 348 . 1 1 41 41 SER HB2 H 1 3.72 0.02 . 2 . . . . . . . . 6035 1 349 . 1 1 41 41 SER HB3 H 1 3.83 0.02 . 2 . . . . . . . . 6035 1 350 . 1 1 41 41 SER C C 13 173.1 0.2 . 1 . . . . . . . . 6035 1 351 . 1 1 41 41 SER CA C 13 55.1 0.2 . 1 . . . . . . . . 6035 1 352 . 1 1 41 41 SER CB C 13 61.6 0.2 . 1 . . . . . . . . 6035 1 353 . 1 1 41 41 SER N N 15 113.7 0.2 . 1 . . . . . . . . 6035 1 354 . 1 1 42 42 GLU H H 1 8.95 0.02 . 1 . . . . . . . . 6035 1 355 . 1 1 42 42 GLU HA H 1 4.22 0.02 . 1 . . . . . . . . 6035 1 356 . 1 1 42 42 GLU HB2 H 1 1.95 0.02 . 2 . . . . . . . . 6035 1 357 . 1 1 42 42 GLU HB3 H 1 2.08 0.02 . 2 . . . . . . . . 6035 1 358 . 1 1 42 42 GLU C C 13 174.6 0.2 . 1 . . . . . . . . 6035 1 359 . 1 1 42 42 GLU CA C 13 55.5 0.2 . 1 . . . . . . . . 6035 1 360 . 1 1 42 42 GLU CB C 13 27.3 0.2 . 1 . . . . . . . . 6035 1 361 . 1 1 42 42 GLU N N 15 125.3 0.2 . 1 . . . . . . . . 6035 1 362 . 1 1 43 43 SER H H 1 8.08 0.02 . 1 . . . . . . . . 6035 1 363 . 1 1 43 43 SER HA H 1 4.49 0.02 . 1 . . . . . . . . 6035 1 364 . 1 1 43 43 SER HB2 H 1 3.76 0.02 . 2 . . . . . . . . 6035 1 365 . 1 1 43 43 SER HB3 H 1 3.92 0.02 . 2 . . . . . . . . 6035 1 366 . 1 1 43 43 SER C C 13 172.8 0.2 . 1 . . . . . . . . 6035 1 367 . 1 1 43 43 SER CA C 13 61.7 0.2 . 1 . . . . . . . . 6035 1 368 . 1 1 43 43 SER CB C 13 55.7 0.2 . 1 . . . . . . . . 6035 1 369 . 1 1 43 43 SER N N 15 112.8 0.2 . 1 . . . . . . . . 6035 1 370 . 1 1 44 44 GLY H H 1 7.94 0.02 . 1 . . . . . . . . 6035 1 371 . 1 1 44 44 GLY HA2 H 1 3.93 0.02 . 2 . . . . . . . . 6035 1 372 . 1 1 44 44 GLY C C 13 172.5 0.2 . 1 . . . . . . . . 6035 1 373 . 1 1 44 44 GLY CA C 13 43.5 0.2 . 1 . . . . . . . . 6035 1 374 . 1 1 44 44 GLY N N 15 110.0 0.2 . 1 . . . . . . . . 6035 1 375 . 1 1 45 45 GLY H H 1 8.19 0.02 . 1 . . . . . . . . 6035 1 376 . 1 1 45 45 GLY HA2 H 1 3.94 0.02 . 2 . . . . . . . . 6035 1 377 . 1 1 45 45 GLY C C 13 170.9 0.2 . 1 . . . . . . . . 6035 1 378 . 1 1 45 45 GLY CA C 13 42.8 0.2 . 1 . . . . . . . . 6035 1 379 . 1 1 45 45 GLY N N 15 108.1 0.2 . 1 . . . . . . . . 6035 1 380 . 1 1 46 46 ASP H H 1 8.22 0.02 . 1 . . . . . . . . 6035 1 381 . 1 1 46 46 ASP HA H 1 4.81 0.02 . 1 . . . . . . . . 6035 1 382 . 1 1 46 46 ASP HB2 H 1 2.35 0.02 . 2 . . . . . . . . 6035 1 383 . 1 1 46 46 ASP HB3 H 1 2.42 0.02 . 2 . . . . . . . . 6035 1 384 . 1 1 46 46 ASP C C 13 173.5 0.2 . 1 . . . . . . . . 6035 1 385 . 1 1 46 46 ASP CA C 13 51.8 0.2 . 1 . . . . . . . . 6035 1 386 . 1 1 46 46 ASP CB C 13 40.8 0.2 . 1 . . . . . . . . 6035 1 387 . 1 1 46 46 ASP N N 15 119.5 0.2 . 1 . . . . . . . . 6035 1 388 . 1 1 47 47 MET H H 1 8.98 0.02 . 1 . . . . . . . . 6035 1 389 . 1 1 47 47 MET HA H 1 4.63 0.02 . 1 . . . . . . . . 6035 1 390 . 1 1 47 47 MET HB2 H 1 1.93 0.02 . 2 . . . . . . . . 6035 1 391 . 1 1 47 47 MET HG2 H 1 2.23 0.02 . 2 . . . . . . . . 6035 1 392 . 1 1 47 47 MET C C 13 176.2 0.2 . 1 . . . . . . . . 6035 1 393 . 1 1 47 47 MET CA C 13 53.3 0.2 . 1 . . . . . . . . 6035 1 394 . 1 1 47 47 MET CB C 13 32.7 0.2 . 1 . . . . . . . . 6035 1 395 . 1 1 47 47 MET N N 15 119.7 0.2 . 1 . . . . . . . . 6035 1 396 . 1 1 48 48 LYS H H 1 8.10 0.02 . 1 . . . . . . . . 6035 1 397 . 1 1 48 48 LYS HA H 1 4.72 0.02 . 1 . . . . . . . . 6035 1 398 . 1 1 48 48 LYS HB2 H 1 1.06 0.02 . 2 . . . . . . . . 6035 1 399 . 1 1 48 48 LYS HB3 H 1 0.17 0.02 . 2 . . . . . . . . 6035 1 400 . 1 1 48 48 LYS HG2 H 1 0.66 0.02 . 2 . . . . . . . . 6035 1 401 . 1 1 48 48 LYS HG3 H 1 0.96 0.02 . 2 . . . . . . . . 6035 1 402 . 1 1 48 48 LYS HD2 H 1 1.37 0.02 . 2 . . . . . . . . 6035 1 403 . 1 1 48 48 LYS HE2 H 1 2.71 0.02 . 2 . . . . . . . . 6035 1 404 . 1 1 48 48 LYS HE3 H 1 2.78 0.02 . 2 . . . . . . . . 6035 1 405 . 1 1 48 48 LYS C C 13 173.1 0.2 . 1 . . . . . . . . 6035 1 406 . 1 1 48 48 LYS CA C 13 53.1 0.2 . 1 . . . . . . . . 6035 1 407 . 1 1 48 48 LYS CB C 13 31.9 0.2 . 1 . . . . . . . . 6035 1 408 . 1 1 48 48 LYS CG C 13 23.9 0.2 . 1 . . . . . . . . 6035 1 409 . 1 1 48 48 LYS CD C 13 27.6 0.2 . 1 . . . . . . . . 6035 1 410 . 1 1 48 48 LYS CE C 13 40.1 0.2 . 1 . . . . . . . . 6035 1 411 . 1 1 48 48 LYS N N 15 119.6 0.2 . 1 . . . . . . . . 6035 1 412 . 1 1 49 49 GLU H H 1 8.20 0.02 . 1 . . . . . . . . 6035 1 413 . 1 1 49 49 GLU HA H 1 4.27 0.02 . 1 . . . . . . . . 6035 1 414 . 1 1 49 49 GLU HB2 H 1 1.91 0.02 . 2 . . . . . . . . 6035 1 415 . 1 1 49 49 GLU HB3 H 1 2.01 0.02 . 2 . . . . . . . . 6035 1 416 . 1 1 49 49 GLU HG2 H 1 0.97 0.02 . 2 . . . . . . . . 6035 1 417 . 1 1 49 49 GLU C C 13 171.9 0.2 . 1 . . . . . . . . 6035 1 418 . 1 1 49 49 GLU CA C 13 52.9 0.2 . 1 . . . . . . . . 6035 1 419 . 1 1 49 49 GLU CB C 13 29.6 0.2 . 1 . . . . . . . . 6035 1 420 . 1 1 49 49 GLU N N 15 122.2 0.2 . 1 . . . . . . . . 6035 1 421 . 1 1 50 50 TRP H H 1 8.41 0.02 . 1 . . . . . . . . 6035 1 422 . 1 1 50 50 TRP HA H 1 5.19 0.02 . 1 . . . . . . . . 6035 1 423 . 1 1 50 50 TRP HB2 H 1 2.73 0.02 . 2 . . . . . . . . 6035 1 424 . 1 1 50 50 TRP HD1 H 1 6.87 0.02 . 1 . . . . . . . . 6035 1 425 . 1 1 50 50 TRP HE3 H 1 6.96 0.02 . 1 . . . . . . . . 6035 1 426 . 1 1 50 50 TRP HZ2 H 1 7.22 0.02 . 1 . . . . . . . . 6035 1 427 . 1 1 50 50 TRP HZ3 H 1 6.67 0.02 . 1 . . . . . . . . 6035 1 428 . 1 1 50 50 TRP HH2 H 1 6.84 0.02 . 1 . . . . . . . . 6035 1 429 . 1 1 50 50 TRP C C 13 172.5 0.2 . 1 . . . . . . . . 6035 1 430 . 1 1 50 50 TRP CA C 13 54.8 0.2 . 1 . . . . . . . . 6035 1 431 . 1 1 50 50 TRP CB C 13 31.1 0.2 . 1 . . . . . . . . 6035 1 432 . 1 1 50 50 TRP CD1 C 13 125.5 0.2 . 1 . . . . . . . . 6035 1 433 . 1 1 50 50 TRP CE3 C 13 116.6 0.2 . 1 . . . . . . . . 6035 1 434 . 1 1 50 50 TRP CZ2 C 13 112.4 0.2 . 1 . . . . . . . . 6035 1 435 . 1 1 50 50 TRP CZ3 C 13 119.9 0.2 . 1 . . . . . . . . 6035 1 436 . 1 1 50 50 TRP CH2 C 13 122.7 0.2 . 1 . . . . . . . . 6035 1 437 . 1 1 50 50 TRP N N 15 122.8 0.2 . 1 . . . . . . . . 6035 1 438 . 1 1 51 51 TYR H H 1 9.14 0.02 . 1 . . . . . . . . 6035 1 439 . 1 1 51 51 TYR HA H 1 5.97 0.02 . 1 . . . . . . . . 6035 1 440 . 1 1 51 51 TYR HB2 H 1 2.90 0.02 . 2 . . . . . . . . 6035 1 441 . 1 1 51 51 TYR HD1 H 1 7.11 0.02 . 1 . . . . . . . . 6035 1 442 . 1 1 51 51 TYR HE1 H 1 6.51 0.02 . 1 . . . . . . . . 6035 1 443 . 1 1 51 51 TYR C C 13 175.5 0.2 . 1 . . . . . . . . 6035 1 444 . 1 1 51 51 TYR CA C 13 54.3 0.2 . 1 . . . . . . . . 6035 1 445 . 1 1 51 51 TYR CB C 13 41.5 0.2 . 1 . . . . . . . . 6035 1 446 . 1 1 51 51 TYR CD1 C 13 131.7 0.2 . 1 . . . . . . . . 6035 1 447 . 1 1 51 51 TYR CE1 C 13 115.4 0.2 . 1 . . . . . . . . 6035 1 448 . 1 1 51 51 TYR N N 15 115.9 0.2 . 1 . . . . . . . . 6035 1 449 . 1 1 52 52 HIS H H 1 8.35 0.02 . 1 . . . . . . . . 6035 1 450 . 1 1 52 52 HIS HA H 1 4.72 0.02 . 1 . . . . . . . . 6035 1 451 . 1 1 52 52 HIS HB2 H 1 3.72 0.02 . 2 . . . . . . . . 6035 1 452 . 1 1 52 52 HIS HB3 H 1 3.85 0.02 . 2 . . . . . . . . 6035 1 453 . 1 1 52 52 HIS HD2 H 1 7.32 0.02 . 1 . . . . . . . . 6035 1 454 . 1 1 52 52 HIS HE1 H 1 7.24 0.02 . 1 . . . . . . . . 6035 1 455 . 1 1 52 52 HIS C C 13 174.4 0.2 . 1 . . . . . . . . 6035 1 456 . 1 1 52 52 HIS CA C 13 57.5 0.2 . 1 . . . . . . . . 6035 1 457 . 1 1 52 52 HIS CB C 13 29.3 0.2 . 1 . . . . . . . . 6035 1 458 . 1 1 52 52 HIS CD2 C 13 116.3 0.2 . 1 . . . . . . . . 6035 1 459 . 1 1 52 52 HIS CE1 C 13 136.1 0.2 . 1 . . . . . . . . 6035 1 460 . 1 1 52 52 HIS N N 15 117.8 0.2 . 1 . . . . . . . . 6035 1 461 . 1 1 53 53 ILE H H 1 9.56 0.02 . 1 . . . . . . . . 6035 1 462 . 1 1 53 53 ILE HA H 1 4.72 0.02 . 1 . . . . . . . . 6035 1 463 . 1 1 53 53 ILE HB H 1 1.33 0.02 . 1 . . . . . . . . 6035 1 464 . 1 1 53 53 ILE HG21 H 1 0.81 0.02 . 1 . . . . . . . . 6035 1 465 . 1 1 53 53 ILE HG22 H 1 0.81 0.02 . 1 . . . . . . . . 6035 1 466 . 1 1 53 53 ILE HG23 H 1 0.81 0.02 . 1 . . . . . . . . 6035 1 467 . 1 1 53 53 ILE HD11 H 1 0.93 0.02 . 1 . . . . . . . . 6035 1 468 . 1 1 53 53 ILE HD12 H 1 0.93 0.02 . 1 . . . . . . . . 6035 1 469 . 1 1 53 53 ILE HD13 H 1 0.93 0.02 . 1 . . . . . . . . 6035 1 470 . 1 1 53 53 ILE C C 13 176.0 0.2 . 1 . . . . . . . . 6035 1 471 . 1 1 53 53 ILE CA C 13 57.5 0.2 . 1 . . . . . . . . 6035 1 472 . 1 1 53 53 ILE CB C 13 34.7 0.2 . 1 . . . . . . . . 6035 1 473 . 1 1 53 53 ILE CG2 C 13 15.9 0.2 . 1 . . . . . . . . 6035 1 474 . 1 1 53 53 ILE CD1 C 13 10.5 0.2 . 1 . . . . . . . . 6035 1 475 . 1 1 53 53 ILE N N 15 122.5 0.2 . 1 . . . . . . . . 6035 1 476 . 1 1 54 54 LYS H H 1 8.89 0.02 . 1 . . . . . . . . 6035 1 477 . 1 1 54 54 LYS HA H 1 3.74 0.02 . 1 . . . . . . . . 6035 1 478 . 1 1 54 54 LYS HB2 H 1 1.82 0.02 . 2 . . . . . . . . 6035 1 479 . 1 1 54 54 LYS HB3 H 1 1.96 0.02 . 2 . . . . . . . . 6035 1 480 . 1 1 54 54 LYS HG2 H 1 1.41 0.02 . 2 . . . . . . . . 6035 1 481 . 1 1 54 54 LYS HD2 H 1 1.67 0.02 . 2 . . . . . . . . 6035 1 482 . 1 1 54 54 LYS C C 13 176.3 0.2 . 1 . . . . . . . . 6035 1 483 . 1 1 54 54 LYS CA C 13 57.8 0.2 . 1 . . . . . . . . 6035 1 484 . 1 1 54 54 LYS CB C 13 29.9 0.2 . 1 . . . . . . . . 6035 1 485 . 1 1 54 54 LYS N N 15 116.3 0.2 . 1 . . . . . . . . 6035 1 486 . 1 1 55 55 CYS H H 1 6.48 0.02 . 1 . . . . . . . . 6035 1 487 . 1 1 55 55 CYS HA H 1 4.05 0.02 . 1 . . . . . . . . 6035 1 488 . 1 1 55 55 CYS HB2 H 1 3.15 0.02 . 2 . . . . . . . . 6035 1 489 . 1 1 55 55 CYS HB3 H 1 3.26 0.02 . 2 . . . . . . . . 6035 1 490 . 1 1 55 55 CYS C C 13 174.6 0.2 . 1 . . . . . . . . 6035 1 491 . 1 1 55 55 CYS CA C 13 60.8 0.2 . 1 . . . . . . . . 6035 1 492 . 1 1 55 55 CYS CB C 13 28.2 0.2 . 1 . . . . . . . . 6035 1 493 . 1 1 55 55 CYS N N 15 116.9 0.2 . 1 . . . . . . . . 6035 1 494 . 1 1 56 56 MET H H 1 8.48 0.02 . 1 . . . . . . . . 6035 1 495 . 1 1 56 56 MET HA H 1 3.75 0.02 . 1 . . . . . . . . 6035 1 496 . 1 1 56 56 MET HB2 H 1 1.94 0.02 . 2 . . . . . . . . 6035 1 497 . 1 1 56 56 MET HE1 H 1 0.88 0.02 . 1 . . . . . . . . 6035 1 498 . 1 1 56 56 MET HE2 H 1 0.88 0.02 . 1 . . . . . . . . 6035 1 499 . 1 1 56 56 MET HE3 H 1 0.88 0.02 . 1 . . . . . . . . 6035 1 500 . 1 1 56 56 MET C C 13 175.4 0.2 . 1 . . . . . . . . 6035 1 501 . 1 1 56 56 MET CA C 13 55.3 0.2 . 1 . . . . . . . . 6035 1 502 . 1 1 56 56 MET CB C 13 30.3 0.2 . 1 . . . . . . . . 6035 1 503 . 1 1 56 56 MET CE C 13 18.4 0.2 . 1 . . . . . . . . 6035 1 504 . 1 1 56 56 MET N N 15 118.3 0.2 . 1 . . . . . . . . 6035 1 505 . 1 1 57 57 PHE H H 1 7.53 0.02 . 1 . . . . . . . . 6035 1 506 . 1 1 57 57 PHE HA H 1 3.83 0.02 . 1 . . . . . . . . 6035 1 507 . 1 1 57 57 PHE HB2 H 1 2.44 0.02 . 2 . . . . . . . . 6035 1 508 . 1 1 57 57 PHE HB3 H 1 3.28 0.02 . 2 . . . . . . . . 6035 1 509 . 1 1 57 57 PHE HD1 H 1 7.23 0.02 . 1 . . . . . . . . 6035 1 510 . 1 1 57 57 PHE HE1 H 1 6.84 0.02 . 1 . . . . . . . . 6035 1 511 . 1 1 57 57 PHE HZ H 1 6.73 0.02 . 1 . . . . . . . . 6035 1 512 . 1 1 57 57 PHE C C 13 175.5 0.2 . 1 . . . . . . . . 6035 1 513 . 1 1 57 57 PHE CA C 13 62.2 0.2 . 1 . . . . . . . . 6035 1 514 . 1 1 57 57 PHE CB C 13 35.8 0.2 . 1 . . . . . . . . 6035 1 515 . 1 1 57 57 PHE CD1 C 13 130.0 0.2 . 1 . . . . . . . . 6035 1 516 . 1 1 57 57 PHE CE1 C 13 127.8 0.2 . 1 . . . . . . . . 6035 1 517 . 1 1 57 57 PHE CZ C 13 126.7 0.2 . 1 . . . . . . . . 6035 1 518 . 1 1 57 57 PHE N N 15 115.5 0.2 . 1 . . . . . . . . 6035 1 519 . 1 1 58 58 GLU H H 1 8.27 0.02 . 1 . . . . . . . . 6035 1 520 . 1 1 58 58 GLU HA H 1 4.07 0.02 . 1 . . . . . . . . 6035 1 521 . 1 1 58 58 GLU HB2 H 1 2.19 0.02 . 2 . . . . . . . . 6035 1 522 . 1 1 58 58 GLU HG2 H 1 2.51 0.02 . 2 . . . . . . . . 6035 1 523 . 1 1 58 58 GLU C C 13 177.2 0.2 . 1 . . . . . . . . 6035 1 524 . 1 1 58 58 GLU CA C 13 57.6 0.2 . 1 . . . . . . . . 6035 1 525 . 1 1 58 58 GLU CB C 13 27.6 0.2 . 1 . . . . . . . . 6035 1 526 . 1 1 58 58 GLU N N 15 121.3 0.2 . 1 . . . . . . . . 6035 1 527 . 1 1 59 59 LYS H H 1 7.78 0.02 . 1 . . . . . . . . 6035 1 528 . 1 1 59 59 LYS HA H 1 3.99 0.02 . 1 . . . . . . . . 6035 1 529 . 1 1 59 59 LYS HB2 H 1 1.68 0.02 . 2 . . . . . . . . 6035 1 530 . 1 1 59 59 LYS HB3 H 1 1.99 0.02 . 2 . . . . . . . . 6035 1 531 . 1 1 59 59 LYS HG2 H 1 1.46 0.02 . 2 . . . . . . . . 6035 1 532 . 1 1 59 59 LYS HD2 H 1 1.62 0.02 . 2 . . . . . . . . 6035 1 533 . 1 1 59 59 LYS HE2 H 1 2.95 0.02 . 2 . . . . . . . . 6035 1 534 . 1 1 59 59 LYS C C 13 177.5 0.2 . 1 . . . . . . . . 6035 1 535 . 1 1 59 59 LYS CA C 13 57.0 0.2 . 1 . . . . . . . . 6035 1 536 . 1 1 59 59 LYS CB C 13 28.8 0.2 . 1 . . . . . . . . 6035 1 537 . 1 1 59 59 LYS N N 15 120.0 0.2 . 1 . . . . . . . . 6035 1 538 . 1 1 60 60 LEU H H 1 8.10 0.02 . 1 . . . . . . . . 6035 1 539 . 1 1 60 60 LEU HA H 1 3.94 0.02 . 1 . . . . . . . . 6035 1 540 . 1 1 60 60 LEU HB2 H 1 1.25 0.02 . 2 . . . . . . . . 6035 1 541 . 1 1 60 60 LEU HB3 H 1 1.67 0.02 . 2 . . . . . . . . 6035 1 542 . 1 1 60 60 LEU HD11 H 1 0.67 0.02 . 1 . . . . . . . . 6035 1 543 . 1 1 60 60 LEU HD12 H 1 0.67 0.02 . 1 . . . . . . . . 6035 1 544 . 1 1 60 60 LEU HD13 H 1 0.67 0.02 . 1 . . . . . . . . 6035 1 545 . 1 1 60 60 LEU HD21 H 1 0.21 0.02 . 1 . . . . . . . . 6035 1 546 . 1 1 60 60 LEU HD22 H 1 0.21 0.02 . 1 . . . . . . . . 6035 1 547 . 1 1 60 60 LEU HD23 H 1 0.21 0.02 . 1 . . . . . . . . 6035 1 548 . 1 1 60 60 LEU C C 13 176.5 0.2 . 1 . . . . . . . . 6035 1 549 . 1 1 60 60 LEU CA C 13 54.9 0.2 . 1 . . . . . . . . 6035 1 550 . 1 1 60 60 LEU CB C 13 39.8 0.2 . 1 . . . . . . . . 6035 1 551 . 1 1 60 60 LEU CD1 C 13 19.8 0.2 . 1 . . . . . . . . 6035 1 552 . 1 1 60 60 LEU CD2 C 13 23.9 0.2 . 1 . . . . . . . . 6035 1 553 . 1 1 60 60 LEU N N 15 117.4 0.2 . 1 . . . . . . . . 6035 1 554 . 1 1 61 61 GLU H H 1 8.05 0.02 . 1 . . . . . . . . 6035 1 555 . 1 1 61 61 GLU HA H 1 3.92 0.02 . 1 . . . . . . . . 6035 1 556 . 1 1 61 61 GLU HB2 H 1 2.08 0.02 . 2 . . . . . . . . 6035 1 557 . 1 1 61 61 GLU HG2 H 1 2.20 0.02 . 2 . . . . . . . . 6035 1 558 . 1 1 61 61 GLU C C 13 175.2 0.2 . 1 . . . . . . . . 6035 1 559 . 1 1 61 61 GLU CA C 13 56.9 0.2 . 1 . . . . . . . . 6035 1 560 . 1 1 61 61 GLU CB C 13 27.1 0.2 . 1 . . . . . . . . 6035 1 561 . 1 1 61 61 GLU N N 15 119.1 0.2 . 1 . . . . . . . . 6035 1 562 . 1 1 62 62 ARG H H 1 7.12 0.02 . 1 . . . . . . . . 6035 1 563 . 1 1 62 62 ARG HA H 1 4.36 0.02 . 1 . . . . . . . . 6035 1 564 . 1 1 62 62 ARG HB2 H 1 1.99 0.02 . 2 . . . . . . . . 6035 1 565 . 1 1 62 62 ARG HG2 H 1 1.73 0.02 . 2 . . . . . . . . 6035 1 566 . 1 1 62 62 ARG HD2 H 1 3.15 0.02 . 2 . . . . . . . . 6035 1 567 . 1 1 62 62 ARG C C 13 173.6 0.2 . 1 . . . . . . . . 6035 1 568 . 1 1 62 62 ARG CA C 13 53.4 0.2 . 1 . . . . . . . . 6035 1 569 . 1 1 62 62 ARG CB C 13 28.3 0.2 . 1 . . . . . . . . 6035 1 570 . 1 1 62 62 ARG N N 15 115.5 0.2 . 1 . . . . . . . . 6035 1 571 . 1 1 63 63 ALA H H 1 7.25 0.02 . 1 . . . . . . . . 6035 1 572 . 1 1 63 63 ALA HA H 1 4.34 0.02 . 1 . . . . . . . . 6035 1 573 . 1 1 63 63 ALA HB1 H 1 1.43 0.02 . 1 . . . . . . . . 6035 1 574 . 1 1 63 63 ALA HB2 H 1 1.43 0.02 . 1 . . . . . . . . 6035 1 575 . 1 1 63 63 ALA HB3 H 1 1.43 0.02 . 1 . . . . . . . . 6035 1 576 . 1 1 63 63 ALA C C 13 175.6 0.2 . 1 . . . . . . . . 6035 1 577 . 1 1 63 63 ALA CA C 13 50.2 0.2 . 1 . . . . . . . . 6035 1 578 . 1 1 63 63 ALA CB C 13 17.3 0.2 . 1 . . . . . . . . 6035 1 579 . 1 1 63 63 ALA N N 15 122.8 0.2 . 1 . . . . . . . . 6035 1 580 . 1 1 64 64 ARG H H 1 8.53 0.02 . 1 . . . . . . . . 6035 1 581 . 1 1 64 64 ARG HA H 1 4.25 0.02 . 1 . . . . . . . . 6035 1 582 . 1 1 64 64 ARG HB2 H 1 1.81 0.02 . 2 . . . . . . . . 6035 1 583 . 1 1 64 64 ARG HB3 H 1 1.91 0.02 . 2 . . . . . . . . 6035 1 584 . 1 1 64 64 ARG HG2 H 1 1.67 0.02 . 2 . . . . . . . . 6035 1 585 . 1 1 64 64 ARG CA C 13 54.2 0.2 . 1 . . . . . . . . 6035 1 586 . 1 1 64 64 ARG CB C 13 28.6 0.2 . 1 . . . . . . . . 6035 1 587 . 1 1 64 64 ARG N N 15 120.1 0.2 . 1 . . . . . . . . 6035 1 588 . 1 1 65 65 ALA H H 1 8.57 0.02 . 1 . . . . . . . . 6035 1 589 . 1 1 65 65 ALA HA H 1 4.22 0.02 . 1 . . . . . . . . 6035 1 590 . 1 1 65 65 ALA HB1 H 1 1.45 0.02 . 1 . . . . . . . . 6035 1 591 . 1 1 65 65 ALA HB2 H 1 1.45 0.02 . 1 . . . . . . . . 6035 1 592 . 1 1 65 65 ALA HB3 H 1 1.45 0.02 . 1 . . . . . . . . 6035 1 593 . 1 1 65 65 ALA C C 13 176.1 0.2 . 1 . . . . . . . . 6035 1 594 . 1 1 65 65 ALA CA C 13 52.1 0.2 . 1 . . . . . . . . 6035 1 595 . 1 1 65 65 ALA CB C 13 16.7 0.2 . 1 . . . . . . . . 6035 1 596 . 1 1 65 65 ALA N N 15 122.9 0.2 . 1 . . . . . . . . 6035 1 597 . 1 1 66 66 THR H H 1 7.55 0.02 . 1 . . . . . . . . 6035 1 598 . 1 1 66 66 THR HA H 1 4.32 0.02 . 1 . . . . . . . . 6035 1 599 . 1 1 66 66 THR HB H 1 4.18 0.02 . 1 . . . . . . . . 6035 1 600 . 1 1 66 66 THR HG21 H 1 1.16 0.02 . 1 . . . . . . . . 6035 1 601 . 1 1 66 66 THR HG22 H 1 1.16 0.02 . 1 . . . . . . . . 6035 1 602 . 1 1 66 66 THR HG23 H 1 1.16 0.02 . 1 . . . . . . . . 6035 1 603 . 1 1 66 66 THR C C 13 175.6 0.2 . 1 . . . . . . . . 6035 1 604 . 1 1 66 66 THR CA C 13 59.8 0.2 . 1 . . . . . . . . 6035 1 605 . 1 1 66 66 THR CB C 13 66.7 0.2 . 1 . . . . . . . . 6035 1 606 . 1 1 66 66 THR CG2 C 13 19.7 0.2 . 1 . . . . . . . . 6035 1 607 . 1 1 66 66 THR N N 15 106.1 0.2 . 1 . . . . . . . . 6035 1 608 . 1 1 67 67 THR H H 1 7.59 0.02 . 1 . . . . . . . . 6035 1 609 . 1 1 67 67 THR HA H 1 4.19 0.02 . 1 . . . . . . . . 6035 1 610 . 1 1 67 67 THR HB H 1 4.07 0.02 . 1 . . . . . . . . 6035 1 611 . 1 1 67 67 THR HG21 H 1 1.14 0.02 . 1 . . . . . . . . 6035 1 612 . 1 1 67 67 THR HG22 H 1 1.14 0.02 . 1 . . . . . . . . 6035 1 613 . 1 1 67 67 THR HG23 H 1 1.14 0.02 . 1 . . . . . . . . 6035 1 614 . 1 1 67 67 THR C C 13 171.3 0.2 . 1 . . . . . . . . 6035 1 615 . 1 1 67 67 THR CA C 13 60.2 0.2 . 1 . . . . . . . . 6035 1 616 . 1 1 67 67 THR CB C 13 67.8 0.2 . 1 . . . . . . . . 6035 1 617 . 1 1 67 67 THR CG2 C 13 19.2 0.2 . 1 . . . . . . . . 6035 1 618 . 1 1 67 67 THR N N 15 118.0 0.2 . 1 . . . . . . . . 6035 1 619 . 1 1 68 68 LYS H H 1 8.39 0.02 . 1 . . . . . . . . 6035 1 620 . 1 1 68 68 LYS HA H 1 4.20 0.02 . 1 . . . . . . . . 6035 1 621 . 1 1 68 68 LYS HB2 H 1 1.75 0.02 . 2 . . . . . . . . 6035 1 622 . 1 1 68 68 LYS HG2 H 1 1.49 0.02 . 2 . . . . . . . . 6035 1 623 . 1 1 68 68 LYS HD2 H 1 1.64 0.02 . 2 . . . . . . . . 6035 1 624 . 1 1 68 68 LYS C C 13 173.0 0.2 . 1 . . . . . . . . 6035 1 625 . 1 1 68 68 LYS CA C 13 54.3 0.2 . 1 . . . . . . . . 6035 1 626 . 1 1 68 68 LYS CB C 13 30.3 0.2 . 1 . . . . . . . . 6035 1 627 . 1 1 68 68 LYS N N 15 126.6 0.2 . 1 . . . . . . . . 6035 1 628 . 1 1 69 69 LYS H H 1 8.53 0.02 . 1 . . . . . . . . 6035 1 629 . 1 1 69 69 LYS HA H 1 4.33 0.02 . 1 . . . . . . . . 6035 1 630 . 1 1 69 69 LYS HB2 H 1 1.61 0.02 . 2 . . . . . . . . 6035 1 631 . 1 1 69 69 LYS HG2 H 1 1.43 0.02 . 2 . . . . . . . . 6035 1 632 . 1 1 69 69 LYS HD2 H 1 1.76 0.02 . 2 . . . . . . . . 6035 1 633 . 1 1 69 69 LYS HE2 H 1 2.92 0.02 . 2 . . . . . . . . 6035 1 634 . 1 1 69 69 LYS C C 13 172.7 0.2 . 1 . . . . . . . . 6035 1 635 . 1 1 69 69 LYS CA C 13 52.7 0.2 . 1 . . . . . . . . 6035 1 636 . 1 1 69 69 LYS CB C 13 30.7 0.2 . 1 . . . . . . . . 6035 1 637 . 1 1 69 69 LYS N N 15 123.4 0.2 . 1 . . . . . . . . 6035 1 638 . 1 1 70 70 ILE H H 1 5.83 0.02 . 1 . . . . . . . . 6035 1 639 . 1 1 70 70 ILE HA H 1 3.82 0.02 . 1 . . . . . . . . 6035 1 640 . 1 1 70 70 ILE HB H 1 1.12 0.02 . 1 . . . . . . . . 6035 1 641 . 1 1 70 70 ILE HG12 H 1 -0.06 0.02 . 2 . . . . . . . . 6035 1 642 . 1 1 70 70 ILE HD11 H 1 -0.05 0.02 . 1 . . . . . . . . 6035 1 643 . 1 1 70 70 ILE HD12 H 1 -0.05 0.02 . 1 . . . . . . . . 6035 1 644 . 1 1 70 70 ILE HD13 H 1 -0.05 0.02 . 1 . . . . . . . . 6035 1 645 . 1 1 70 70 ILE C C 13 172.6 0.2 . 1 . . . . . . . . 6035 1 646 . 1 1 70 70 ILE CA C 13 59.5 0.2 . 1 . . . . . . . . 6035 1 647 . 1 1 70 70 ILE CB C 13 37.2 0.2 . 1 . . . . . . . . 6035 1 648 . 1 1 70 70 ILE CG1 C 13 24.4 0.2 . 1 . . . . . . . . 6035 1 649 . 1 1 70 70 ILE CG2 C 13 15.9 0.2 . 1 . . . . . . . . 6035 1 650 . 1 1 70 70 ILE CD1 C 13 11.6 0.2 . 1 . . . . . . . . 6035 1 651 . 1 1 70 70 ILE N N 15 118.7 0.2 . 1 . . . . . . . . 6035 1 652 . 1 1 71 71 GLU H H 1 9.28 0.02 . 1 . . . . . . . . 6035 1 653 . 1 1 71 71 GLU HA H 1 4.29 0.02 . 1 . . . . . . . . 6035 1 654 . 1 1 71 71 GLU HB2 H 1 2.04 0.02 . 2 . . . . . . . . 6035 1 655 . 1 1 71 71 GLU HG2 H 1 2.13 0.02 . 2 . . . . . . . . 6035 1 656 . 1 1 71 71 GLU C C 13 173.6 0.2 . 1 . . . . . . . . 6035 1 657 . 1 1 71 71 GLU CA C 13 54.2 0.2 . 1 . . . . . . . . 6035 1 658 . 1 1 71 71 GLU CB C 13 28.9 0.2 . 1 . . . . . . . . 6035 1 659 . 1 1 71 71 GLU N N 15 125.0 0.2 . 1 . . . . . . . . 6035 1 660 . 1 1 72 72 ASP H H 1 7.45 0.02 . 1 . . . . . . . . 6035 1 661 . 1 1 72 72 ASP HA H 1 4.55 0.02 . 1 . . . . . . . . 6035 1 662 . 1 1 72 72 ASP HB2 H 1 2.18 0.02 . 2 . . . . . . . . 6035 1 663 . 1 1 72 72 ASP HB3 H 1 2.54 0.02 . 2 . . . . . . . . 6035 1 664 . 1 1 72 72 ASP C C 13 172.5 0.2 . 1 . . . . . . . . 6035 1 665 . 1 1 72 72 ASP CA C 13 51.9 0.2 . 1 . . . . . . . . 6035 1 666 . 1 1 72 72 ASP CB C 13 43.8 0.2 . 1 . . . . . . . . 6035 1 667 . 1 1 72 72 ASP N N 15 117.3 0.2 . 1 . . . . . . . . 6035 1 668 . 1 1 73 73 LEU H H 1 8.61 0.02 . 1 . . . . . . . . 6035 1 669 . 1 1 73 73 LEU HA H 1 3.54 0.02 . 1 . . . . . . . . 6035 1 670 . 1 1 73 73 LEU HB2 H 1 1.29 0.02 . 2 . . . . . . . . 6035 1 671 . 1 1 73 73 LEU HG H 1 0.76 0.02 . 1 . . . . . . . . 6035 1 672 . 1 1 73 73 LEU HD11 H 1 0.91 0.02 . 1 . . . . . . . . 6035 1 673 . 1 1 73 73 LEU HD12 H 1 0.91 0.02 . 1 . . . . . . . . 6035 1 674 . 1 1 73 73 LEU HD13 H 1 0.91 0.02 . 1 . . . . . . . . 6035 1 675 . 1 1 73 73 LEU C C 13 173.5 0.2 . 1 . . . . . . . . 6035 1 676 . 1 1 73 73 LEU CA C 13 56.2 0.2 . 1 . . . . . . . . 6035 1 677 . 1 1 73 73 LEU CB C 13 40.4 0.2 . 1 . . . . . . . . 6035 1 678 . 1 1 73 73 LEU CG C 13 24.1 0.2 . 1 . . . . . . . . 6035 1 679 . 1 1 73 73 LEU CD1 C 13 21.9 0.2 . 1 . . . . . . . . 6035 1 680 . 1 1 73 73 LEU N N 15 127.5 0.2 . 1 . . . . . . . . 6035 1 681 . 1 1 74 74 THR H H 1 7.73 0.02 . 1 . . . . . . . . 6035 1 682 . 1 1 74 74 THR HA H 1 3.95 0.02 . 1 . . . . . . . . 6035 1 683 . 1 1 74 74 THR HB H 1 2.65 0.02 . 1 . . . . . . . . 6035 1 684 . 1 1 74 74 THR HG21 H 1 0.32 0.02 . 1 . . . . . . . . 6035 1 685 . 1 1 74 74 THR HG22 H 1 0.32 0.02 . 1 . . . . . . . . 6035 1 686 . 1 1 74 74 THR HG23 H 1 0.32 0.02 . 1 . . . . . . . . 6035 1 687 . 1 1 74 74 THR C C 13 173.3 0.2 . 1 . . . . . . . . 6035 1 688 . 1 1 74 74 THR CA C 13 60.5 0.2 . 1 . . . . . . . . 6035 1 689 . 1 1 74 74 THR CB C 13 66.9 0.2 . 1 . . . . . . . . 6035 1 690 . 1 1 74 74 THR CG2 C 13 18.5 0.2 . 1 . . . . . . . . 6035 1 691 . 1 1 74 74 THR N N 15 132.9 0.2 . 1 . . . . . . . . 6035 1 692 . 1 1 75 75 GLU H H 1 7.46 0.02 . 1 . . . . . . . . 6035 1 693 . 1 1 75 75 GLU HA H 1 4.24 0.02 . 1 . . . . . . . . 6035 1 694 . 1 1 75 75 GLU HB2 H 1 2.18 0.02 . 2 . . . . . . . . 6035 1 695 . 1 1 75 75 GLU HG2 H 1 2.31 0.02 . 2 . . . . . . . . 6035 1 696 . 1 1 75 75 GLU C C 13 174.3 0.2 . 1 . . . . . . . . 6035 1 697 . 1 1 75 75 GLU CA C 13 54.9 0.2 . 1 . . . . . . . . 6035 1 698 . 1 1 75 75 GLU CB C 13 28.1 0.2 . 1 . . . . . . . . 6035 1 699 . 1 1 75 75 GLU N N 15 119.1 0.2 . 1 . . . . . . . . 6035 1 700 . 1 1 76 76 LEU H H 1 7.79 0.02 . 1 . . . . . . . . 6035 1 701 . 1 1 76 76 LEU HA H 1 4.25 0.02 . 1 . . . . . . . . 6035 1 702 . 1 1 76 76 LEU HB2 H 1 1.01 0.02 . 2 . . . . . . . . 6035 1 703 . 1 1 76 76 LEU HB3 H 1 2.29 0.02 . 2 . . . . . . . . 6035 1 704 . 1 1 76 76 LEU HG H 1 1.63 0.02 . 1 . . . . . . . . 6035 1 705 . 1 1 76 76 LEU HD11 H 1 0.70 0.02 . 1 . . . . . . . . 6035 1 706 . 1 1 76 76 LEU HD12 H 1 0.70 0.02 . 1 . . . . . . . . 6035 1 707 . 1 1 76 76 LEU HD13 H 1 0.70 0.02 . 1 . . . . . . . . 6035 1 708 . 1 1 76 76 LEU HD21 H 1 0.89 0.02 . 1 . . . . . . . . 6035 1 709 . 1 1 76 76 LEU HD22 H 1 0.89 0.02 . 1 . . . . . . . . 6035 1 710 . 1 1 76 76 LEU HD23 H 1 0.89 0.02 . 1 . . . . . . . . 6035 1 711 . 1 1 76 76 LEU C C 13 172.6 0.2 . 1 . . . . . . . . 6035 1 712 . 1 1 76 76 LEU CA C 13 51.2 0.2 . 1 . . . . . . . . 6035 1 713 . 1 1 76 76 LEU CB C 13 39.1 0.2 . 1 . . . . . . . . 6035 1 714 . 1 1 76 76 LEU CD1 C 13 22.9 0.2 . 1 . . . . . . . . 6035 1 715 . 1 1 76 76 LEU CD2 C 13 24.2 0.2 . 1 . . . . . . . . 6035 1 716 . 1 1 76 76 LEU N N 15 119.4 0.2 . 1 . . . . . . . . 6035 1 717 . 1 1 77 77 GLU H H 1 8.63 0.02 . 1 . . . . . . . . 6035 1 718 . 1 1 77 77 GLU HA H 1 4.29 0.02 . 1 . . . . . . . . 6035 1 719 . 1 1 77 77 GLU HB2 H 1 2.10 0.02 . 2 . . . . . . . . 6035 1 720 . 1 1 77 77 GLU HG2 H 1 2.33 0.02 . 2 . . . . . . . . 6035 1 721 . 1 1 77 77 GLU HG3 H 1 2.55 0.02 . 2 . . . . . . . . 6035 1 722 . 1 1 77 77 GLU C C 13 174.9 0.2 . 1 . . . . . . . . 6035 1 723 . 1 1 77 77 GLU CA C 13 56.5 0.2 . 1 . . . . . . . . 6035 1 724 . 1 1 77 77 GLU CB C 13 26.8 0.2 . 1 . . . . . . . . 6035 1 725 . 1 1 77 77 GLU CG C 13 33.8 0.2 . 1 . . . . . . . . 6035 1 726 . 1 1 77 77 GLU N N 15 127.0 0.2 . 1 . . . . . . . . 6035 1 727 . 1 1 78 78 GLY H H 1 9.48 0.02 . 1 . . . . . . . . 6035 1 728 . 1 1 78 78 GLY HA2 H 1 3.78 0.02 . 2 . . . . . . . . 6035 1 729 . 1 1 78 78 GLY HA3 H 1 4.77 0.02 . 2 . . . . . . . . 6035 1 730 . 1 1 78 78 GLY C C 13 175.6 0.2 . 1 . . . . . . . . 6035 1 731 . 1 1 78 78 GLY CA C 13 42.4 0.2 . 1 . . . . . . . . 6035 1 732 . 1 1 78 78 GLY N N 15 114.1 0.2 . 1 . . . . . . . . 6035 1 733 . 1 1 79 79 TRP H H 1 8.45 0.02 . 1 . . . . . . . . 6035 1 734 . 1 1 79 79 TRP HA H 1 3.86 0.02 . 1 . . . . . . . . 6035 1 735 . 1 1 79 79 TRP HB2 H 1 3.11 0.02 . 2 . . . . . . . . 6035 1 736 . 1 1 79 79 TRP HB3 H 1 3.72 0.02 . 2 . . . . . . . . 6035 1 737 . 1 1 79 79 TRP HD1 H 1 7.66 0.02 . 1 . . . . . . . . 6035 1 738 . 1 1 79 79 TRP HE3 H 1 7.12 0.02 . 1 . . . . . . . . 6035 1 739 . 1 1 79 79 TRP HZ2 H 1 7.45 0.02 . 1 . . . . . . . . 6035 1 740 . 1 1 79 79 TRP HZ3 H 1 6.95 0.02 . 1 . . . . . . . . 6035 1 741 . 1 1 79 79 TRP HH2 H 1 7.12 0.02 . 1 . . . . . . . . 6035 1 742 . 1 1 79 79 TRP C C 13 174.6 0.2 . 1 . . . . . . . . 6035 1 743 . 1 1 79 79 TRP CA C 13 57.7 0.2 . 1 . . . . . . . . 6035 1 744 . 1 1 79 79 TRP CB C 13 25.0 0.2 . 1 . . . . . . . . 6035 1 745 . 1 1 79 79 TRP CD1 C 13 126.5 0.2 . 1 . . . . . . . . 6035 1 746 . 1 1 79 79 TRP CE3 C 13 117.6 0.2 . 1 . . . . . . . . 6035 1 747 . 1 1 79 79 TRP CZ2 C 13 112.9 0.2 . 1 . . . . . . . . 6035 1 748 . 1 1 79 79 TRP CZ3 C 13 118.1 0.2 . 1 . . . . . . . . 6035 1 749 . 1 1 79 79 TRP CH2 C 13 121.8 0.2 . 1 . . . . . . . . 6035 1 750 . 1 1 79 79 TRP N N 15 122.8 0.2 . 1 . . . . . . . . 6035 1 751 . 1 1 80 80 GLU H H 1 8.31 0.02 . 1 . . . . . . . . 6035 1 752 . 1 1 80 80 GLU HA H 1 2.96 0.02 . 1 . . . . . . . . 6035 1 753 . 1 1 80 80 GLU HB2 H 1 1.22 0.02 . 2 . . . . . . . . 6035 1 754 . 1 1 80 80 GLU HG2 H 1 0.71 0.02 . 2 . . . . . . . . 6035 1 755 . 1 1 80 80 GLU HG3 H 1 1.48 0.02 . 2 . . . . . . . . 6035 1 756 . 1 1 80 80 GLU C C 13 175.8 0.2 . 1 . . . . . . . . 6035 1 757 . 1 1 80 80 GLU CA C 13 57.6 0.2 . 1 . . . . . . . . 6035 1 758 . 1 1 80 80 GLU CB C 13 25.8 0.2 . 1 . . . . . . . . 6035 1 759 . 1 1 80 80 GLU CG C 13 33.2 0.2 . 1 . . . . . . . . 6035 1 760 . 1 1 80 80 GLU N N 15 119.6 0.2 . 1 . . . . . . . . 6035 1 761 . 1 1 81 81 GLU H H 1 7.42 0.02 . 1 . . . . . . . . 6035 1 762 . 1 1 81 81 GLU HA H 1 4.26 0.02 . 1 . . . . . . . . 6035 1 763 . 1 1 81 81 GLU HB2 H 1 1.75 0.02 . 2 . . . . . . . . 6035 1 764 . 1 1 81 81 GLU HG2 H 1 2.15 0.02 . 2 . . . . . . . . 6035 1 765 . 1 1 81 81 GLU C C 13 174.6 0.2 . 1 . . . . . . . . 6035 1 766 . 1 1 81 81 GLU CA C 13 53.6 0.2 . 1 . . . . . . . . 6035 1 767 . 1 1 81 81 GLU CB C 13 27.3 0.2 . 1 . . . . . . . . 6035 1 768 . 1 1 81 81 GLU N N 15 115.2 0.2 . 1 . . . . . . . . 6035 1 769 . 1 1 82 82 LEU H H 1 7.42 0.02 . 1 . . . . . . . . 6035 1 770 . 1 1 82 82 LEU HA H 1 4.54 0.02 . 1 . . . . . . . . 6035 1 771 . 1 1 82 82 LEU HB2 H 1 1.56 0.02 . 2 . . . . . . . . 6035 1 772 . 1 1 82 82 LEU HB3 H 1 2.03 0.02 . 2 . . . . . . . . 6035 1 773 . 1 1 82 82 LEU HG H 1 0.86 0.02 . 1 . . . . . . . . 6035 1 774 . 1 1 82 82 LEU HD11 H 1 0.57 0.02 . 1 . . . . . . . . 6035 1 775 . 1 1 82 82 LEU HD12 H 1 0.57 0.02 . 1 . . . . . . . . 6035 1 776 . 1 1 82 82 LEU HD13 H 1 0.57 0.02 . 1 . . . . . . . . 6035 1 777 . 1 1 82 82 LEU C C 13 175.8 0.2 . 1 . . . . . . . . 6035 1 778 . 1 1 82 82 LEU CA C 13 52.9 0.2 . 1 . . . . . . . . 6035 1 779 . 1 1 82 82 LEU CB C 13 41.3 0.2 . 1 . . . . . . . . 6035 1 780 . 1 1 82 82 LEU CG C 13 24.2 0.2 . 1 . . . . . . . . 6035 1 781 . 1 1 82 82 LEU CD1 C 13 20.2 0.2 . 1 . . . . . . . . 6035 1 782 . 1 1 82 82 LEU N N 15 118.1 0.2 . 1 . . . . . . . . 6035 1 783 . 1 1 83 83 GLU H H 1 8.75 0.02 . 1 . . . . . . . . 6035 1 784 . 1 1 83 83 GLU HA H 1 4.43 0.02 . 1 . . . . . . . . 6035 1 785 . 1 1 83 83 GLU HB2 H 1 2.23 0.02 . 2 . . . . . . . . 6035 1 786 . 1 1 83 83 GLU HB3 H 1 2.38 0.02 . 2 . . . . . . . . 6035 1 787 . 1 1 83 83 GLU HG2 H 1 2.44 0.02 . 2 . . . . . . . . 6035 1 788 . 1 1 83 83 GLU C C 13 175.7 0.2 . 1 . . . . . . . . 6035 1 789 . 1 1 83 83 GLU CA C 13 53.4 0.2 . 1 . . . . . . . . 6035 1 790 . 1 1 83 83 GLU CB C 13 27.4 0.2 . 1 . . . . . . . . 6035 1 791 . 1 1 83 83 GLU N N 15 119.5 0.2 . 1 . . . . . . . . 6035 1 792 . 1 1 84 84 ASP H H 1 9.00 0.02 . 1 . . . . . . . . 6035 1 793 . 1 1 84 84 ASP HA H 1 4.26 0.02 . 1 . . . . . . . . 6035 1 794 . 1 1 84 84 ASP HB2 H 1 2.68 0.02 . 2 . . . . . . . . 6035 1 795 . 1 1 84 84 ASP C C 13 176.2 0.2 . 1 . . . . . . . . 6035 1 796 . 1 1 84 84 ASP CA C 13 56.2 0.2 . 1 . . . . . . . . 6035 1 797 . 1 1 84 84 ASP CB C 13 37.8 0.2 . 1 . . . . . . . . 6035 1 798 . 1 1 84 84 ASP N N 15 122.1 0.2 . 1 . . . . . . . . 6035 1 799 . 1 1 85 85 ASN H H 1 8.98 0.02 . 1 . . . . . . . . 6035 1 800 . 1 1 85 85 ASN HA H 1 4.35 0.02 . 1 . . . . . . . . 6035 1 801 . 1 1 85 85 ASN HB2 H 1 2.68 0.02 . 2 . . . . . . . . 6035 1 802 . 1 1 85 85 ASN C C 13 175.2 0.2 . 1 . . . . . . . . 6035 1 803 . 1 1 85 85 ASN CA C 13 55.1 0.2 . 1 . . . . . . . . 6035 1 804 . 1 1 85 85 ASN CB C 13 36.2 0.2 . 1 . . . . . . . . 6035 1 805 . 1 1 85 85 ASN N N 15 115.6 0.2 . 1 . . . . . . . . 6035 1 806 . 1 1 86 86 GLU H H 1 7.00 0.02 . 1 . . . . . . . . 6035 1 807 . 1 1 86 86 GLU HA H 1 4.24 0.02 . 1 . . . . . . . . 6035 1 808 . 1 1 86 86 GLU HB2 H 1 2.45 0.02 . 2 . . . . . . . . 6035 1 809 . 1 1 86 86 GLU HG2 H 1 2.78 0.02 . 2 . . . . . . . . 6035 1 810 . 1 1 86 86 GLU C C 13 176.1 0.2 . 1 . . . . . . . . 6035 1 811 . 1 1 86 86 GLU CA C 13 59.3 0.2 . 1 . . . . . . . . 6035 1 812 . 1 1 86 86 GLU CB C 13 28.9 0.2 . 1 . . . . . . . . 6035 1 813 . 1 1 86 86 GLU N N 15 117.2 0.2 . 1 . . . . . . . . 6035 1 814 . 1 1 87 87 LYS H H 1 8.11 0.02 . 1 . . . . . . . . 6035 1 815 . 1 1 87 87 LYS HA H 1 3.83 0.02 . 1 . . . . . . . . 6035 1 816 . 1 1 87 87 LYS HB2 H 1 1.89 0.02 . 2 . . . . . . . . 6035 1 817 . 1 1 87 87 LYS HD2 H 1 1.76 0.02 . 2 . . . . . . . . 6035 1 818 . 1 1 87 87 LYS C C 13 177.3 0.2 . 1 . . . . . . . . 6035 1 819 . 1 1 87 87 LYS CA C 13 60.1 0.2 . 1 . . . . . . . . 6035 1 820 . 1 1 87 87 LYS CB C 13 30.1 0.2 . 1 . . . . . . . . 6035 1 821 . 1 1 87 87 LYS N N 15 119.5 0.2 . 1 . . . . . . . . 6035 1 822 . 1 1 88 88 GLU H H 1 8.44 0.02 . 1 . . . . . . . . 6035 1 823 . 1 1 88 88 GLU HA H 1 3.96 0.02 . 1 . . . . . . . . 6035 1 824 . 1 1 88 88 GLU HB2 H 1 2.05 0.02 . 2 . . . . . . . . 6035 1 825 . 1 1 88 88 GLU HB3 H 1 0.00 0.02 . 2 . . . . . . . . 6035 1 826 . 1 1 88 88 GLU HG2 H 1 2.19 0.02 . 2 . . . . . . . . 6035 1 827 . 1 1 88 88 GLU C C 13 176.5 0.2 . 1 . . . . . . . . 6035 1 828 . 1 1 88 88 GLU CA C 13 57.3 0.2 . 1 . . . . . . . . 6035 1 829 . 1 1 88 88 GLU CB C 13 27.3 0.2 . 1 . . . . . . . . 6035 1 830 . 1 1 88 88 GLU N N 15 119.7 0.2 . 1 . . . . . . . . 6035 1 831 . 1 1 89 89 GLN H H 1 7.96 0.02 . 1 . . . . . . . . 6035 1 832 . 1 1 89 89 GLN HA H 1 3.95 0.02 . 1 . . . . . . . . 6035 1 833 . 1 1 89 89 GLN HB2 H 1 2.23 0.02 . 2 . . . . . . . . 6035 1 834 . 1 1 89 89 GLN C C 13 177.0 0.2 . 1 . . . . . . . . 6035 1 835 . 1 1 89 89 GLN CA C 13 56.9 0.2 . 1 . . . . . . . . 6035 1 836 . 1 1 89 89 GLN CB C 13 26.9 0.2 . 1 . . . . . . . . 6035 1 837 . 1 1 89 89 GLN N N 15 118.9 0.2 . 1 . . . . . . . . 6035 1 838 . 1 1 90 90 ILE H H 1 8.59 0.02 . 1 . . . . . . . . 6035 1 839 . 1 1 90 90 ILE HA H 1 3.42 0.02 . 1 . . . . . . . . 6035 1 840 . 1 1 90 90 ILE HB H 1 1.82 0.02 . 1 . . . . . . . . 6035 1 841 . 1 1 90 90 ILE HG21 H 1 0.88 0.02 . 1 . . . . . . . . 6035 1 842 . 1 1 90 90 ILE HG22 H 1 0.88 0.02 . 1 . . . . . . . . 6035 1 843 . 1 1 90 90 ILE HG23 H 1 0.88 0.02 . 1 . . . . . . . . 6035 1 844 . 1 1 90 90 ILE HD11 H 1 0.79 0.02 . 1 . . . . . . . . 6035 1 845 . 1 1 90 90 ILE HD12 H 1 0.79 0.02 . 1 . . . . . . . . 6035 1 846 . 1 1 90 90 ILE HD13 H 1 0.79 0.02 . 1 . . . . . . . . 6035 1 847 . 1 1 90 90 ILE C C 13 174.9 0.2 . 1 . . . . . . . . 6035 1 848 . 1 1 90 90 ILE CA C 13 64.3 0.2 . 1 . . . . . . . . 6035 1 849 . 1 1 90 90 ILE CB C 13 35.6 0.2 . 1 . . . . . . . . 6035 1 850 . 1 1 90 90 ILE CG2 C 13 11.7 0.2 . 1 . . . . . . . . 6035 1 851 . 1 1 90 90 ILE N N 15 118.6 0.2 . 1 . . . . . . . . 6035 1 852 . 1 1 91 91 THR H H 1 8.17 0.02 . 1 . . . . . . . . 6035 1 853 . 1 1 91 91 THR HA H 1 4.27 0.02 . 1 . . . . . . . . 6035 1 854 . 1 1 91 91 THR HB H 1 3.63 0.02 . 1 . . . . . . . . 6035 1 855 . 1 1 91 91 THR HG21 H 1 1.17 0.02 . 1 . . . . . . . . 6035 1 856 . 1 1 91 91 THR HG22 H 1 1.17 0.02 . 1 . . . . . . . . 6035 1 857 . 1 1 91 91 THR HG23 H 1 1.17 0.02 . 1 . . . . . . . . 6035 1 858 . 1 1 91 91 THR C C 13 174.3 0.2 . 1 . . . . . . . . 6035 1 859 . 1 1 91 91 THR CG2 C 13 19.1 0.2 . 1 . . . . . . . . 6035 1 860 . 1 1 91 91 THR N N 15 116.2 0.2 . 1 . . . . . . . . 6035 1 861 . 1 1 92 92 GLN H H 1 7.91 0.02 . 1 . . . . . . . . 6035 1 862 . 1 1 92 92 GLN HA H 1 3.92 0.02 . 1 . . . . . . . . 6035 1 863 . 1 1 92 92 GLN HB2 H 1 2.01 0.02 . 2 . . . . . . . . 6035 1 864 . 1 1 92 92 GLN HG2 H 1 2.21 0.02 . 2 . . . . . . . . 6035 1 865 . 1 1 92 92 GLN C C 13 175.7 0.2 . 1 . . . . . . . . 6035 1 866 . 1 1 92 92 GLN CA C 13 56.5 0.2 . 1 . . . . . . . . 6035 1 867 . 1 1 92 92 GLN CB C 13 25.4 0.2 . 1 . . . . . . . . 6035 1 868 . 1 1 92 92 GLN N N 15 121.4 0.2 . 1 . . . . . . . . 6035 1 869 . 1 1 93 93 HIS H H 1 7.61 0.02 . 1 . . . . . . . . 6035 1 870 . 1 1 93 93 HIS HA H 1 3.94 0.02 . 1 . . . . . . . . 6035 1 871 . 1 1 93 93 HIS HB2 H 1 0.93 0.02 . 2 . . . . . . . . 6035 1 872 . 1 1 93 93 HIS HD2 H 1 6.39 0.02 . 1 . . . . . . . . 6035 1 873 . 1 1 93 93 HIS HE1 H 1 7.86 0.02 . 1 . . . . . . . . 6035 1 874 . 1 1 93 93 HIS C C 13 175.4 0.2 . 1 . . . . . . . . 6035 1 875 . 1 1 93 93 HIS CA C 13 57.3 0.2 . 1 . . . . . . . . 6035 1 876 . 1 1 93 93 HIS CB C 13 24.1 0.2 . 1 . . . . . . . . 6035 1 877 . 1 1 93 93 HIS CD2 C 13 121.9 0.2 . 1 . . . . . . . . 6035 1 878 . 1 1 93 93 HIS CE1 C 13 136.1 0.2 . 1 . . . . . . . . 6035 1 879 . 1 1 93 93 HIS N N 15 118.5 0.2 . 1 . . . . . . . . 6035 1 880 . 1 1 94 94 ILE H H 1 8.08 0.02 . 1 . . . . . . . . 6035 1 881 . 1 1 94 94 ILE HA H 1 3.43 0.02 . 1 . . . . . . . . 6035 1 882 . 1 1 94 94 ILE HB H 1 1.74 0.02 . 1 . . . . . . . . 6035 1 883 . 1 1 94 94 ILE HG12 H 1 0.87 0.02 . 2 . . . . . . . . 6035 1 884 . 1 1 94 94 ILE HG21 H 1 0.67 0.02 . 1 . . . . . . . . 6035 1 885 . 1 1 94 94 ILE HG22 H 1 0.67 0.02 . 1 . . . . . . . . 6035 1 886 . 1 1 94 94 ILE HG23 H 1 0.67 0.02 . 1 . . . . . . . . 6035 1 887 . 1 1 94 94 ILE HD11 H 1 0.48 0.02 . 1 . . . . . . . . 6035 1 888 . 1 1 94 94 ILE HD12 H 1 0.48 0.02 . 1 . . . . . . . . 6035 1 889 . 1 1 94 94 ILE HD13 H 1 0.48 0.02 . 1 . . . . . . . . 6035 1 890 . 1 1 94 94 ILE C C 13 175.8 0.2 . 1 . . . . . . . . 6035 1 891 . 1 1 94 94 ILE CA C 13 63.6 0.2 . 1 . . . . . . . . 6035 1 892 . 1 1 94 94 ILE CB C 13 35.8 0.2 . 1 . . . . . . . . 6035 1 893 . 1 1 94 94 ILE CG1 C 13 22.6 0.2 . 1 . . . . . . . . 6035 1 894 . 1 1 94 94 ILE CG2 C 13 14.7 0.2 . 1 . . . . . . . . 6035 1 895 . 1 1 94 94 ILE CD1 C 13 12.8 0.2 . 1 . . . . . . . . 6035 1 896 . 1 1 94 94 ILE N N 15 120.1 0.2 . 1 . . . . . . . . 6035 1 897 . 1 1 95 95 ALA H H 1 7.85 0.02 . 1 . . . . . . . . 6035 1 898 . 1 1 95 95 ALA HA H 1 4.08 0.02 . 1 . . . . . . . . 6035 1 899 . 1 1 95 95 ALA HB1 H 1 1.39 0.02 . 1 . . . . . . . . 6035 1 900 . 1 1 95 95 ALA HB2 H 1 1.39 0.02 . 1 . . . . . . . . 6035 1 901 . 1 1 95 95 ALA HB3 H 1 1.39 0.02 . 1 . . . . . . . . 6035 1 902 . 1 1 95 95 ALA C C 13 178.5 0.2 . 1 . . . . . . . . 6035 1 903 . 1 1 95 95 ALA CA C 13 52.9 0.2 . 1 . . . . . . . . 6035 1 904 . 1 1 95 95 ALA CB C 13 15.2 0.2 . 1 . . . . . . . . 6035 1 905 . 1 1 95 95 ALA N N 15 123.7 0.2 . 1 . . . . . . . . 6035 1 906 . 1 1 96 96 ASP H H 1 8.17 0.02 . 1 . . . . . . . . 6035 1 907 . 1 1 96 96 ASP HA H 1 4.34 0.02 . 1 . . . . . . . . 6035 1 908 . 1 1 96 96 ASP HB2 H 1 2.64 0.02 . 2 . . . . . . . . 6035 1 909 . 1 1 96 96 ASP CA C 13 54.8 0.2 . 1 . . . . . . . . 6035 1 910 . 1 1 96 96 ASP CB C 13 38.5 0.2 . 1 . . . . . . . . 6035 1 911 . 1 1 96 96 ASP N N 15 119.2 0.2 . 1 . . . . . . . . 6035 1 912 . 1 1 97 97 LEU H H 1 7.96 0.02 . 1 . . . . . . . . 6035 1 913 . 1 1 97 97 LEU HA H 1 4.19 0.02 . 1 . . . . . . . . 6035 1 914 . 1 1 97 97 LEU HB2 H 1 1.89 0.02 . 2 . . . . . . . . 6035 1 915 . 1 1 97 97 LEU HB3 H 1 1.96 0.02 . 2 . . . . . . . . 6035 1 916 . 1 1 97 97 LEU HD21 H 1 1.01 0.02 . 1 . . . . . . . . 6035 1 917 . 1 1 97 97 LEU HD22 H 1 1.01 0.02 . 1 . . . . . . . . 6035 1 918 . 1 1 97 97 LEU HD23 H 1 1.01 0.02 . 1 . . . . . . . . 6035 1 919 . 1 1 97 97 LEU C C 13 176.9 0.2 . 1 . . . . . . . . 6035 1 920 . 1 1 97 97 LEU CA C 13 55.5 0.2 . 1 . . . . . . . . 6035 1 921 . 1 1 97 97 LEU CB C 13 39.5 0.2 . 1 . . . . . . . . 6035 1 922 . 1 1 97 97 LEU CD2 C 13 22.4 0.2 . 1 . . . . . . . . 6035 1 923 . 1 1 97 97 LEU N N 15 120.8 0.2 . 1 . . . . . . . . 6035 1 924 . 1 1 98 98 SER H H 1 8.18 0.02 . 1 . . . . . . . . 6035 1 925 . 1 1 98 98 SER HA H 1 4.29 0.02 . 1 . . . . . . . . 6035 1 926 . 1 1 98 98 SER HB2 H 1 3.98 0.02 . 2 . . . . . . . . 6035 1 927 . 1 1 98 98 SER C C 13 174.0 0.2 . 1 . . . . . . . . 6035 1 928 . 1 1 98 98 SER CA C 13 58.5 0.2 . 1 . . . . . . . . 6035 1 929 . 1 1 98 98 SER CB C 13 61.0 0.2 . 1 . . . . . . . . 6035 1 930 . 1 1 98 98 SER N N 15 114.1 0.2 . 1 . . . . . . . . 6035 1 931 . 1 1 99 99 SER H H 1 7.95 0.02 . 1 . . . . . . . . 6035 1 932 . 1 1 99 99 SER HA H 1 4.34 0.02 . 1 . . . . . . . . 6035 1 933 . 1 1 99 99 SER HB2 H 1 3.97 0.02 . 2 . . . . . . . . 6035 1 934 . 1 1 99 99 SER C C 13 173.3 0.2 . 1 . . . . . . . . 6035 1 935 . 1 1 99 99 SER CA C 13 57.7 0.2 . 1 . . . . . . . . 6035 1 936 . 1 1 99 99 SER CB C 13 61.1 0.2 . 1 . . . . . . . . 6035 1 937 . 1 1 99 99 SER N N 15 116.3 0.2 . 1 . . . . . . . . 6035 1 938 . 1 1 100 100 LYS H H 1 7.83 0.02 . 1 . . . . . . . . 6035 1 939 . 1 1 100 100 LYS HA H 1 4.23 0.02 . 1 . . . . . . . . 6035 1 940 . 1 1 100 100 LYS HB2 H 1 1.89 0.02 . 2 . . . . . . . . 6035 1 941 . 1 1 100 100 LYS HG2 H 1 1.51 0.02 . 2 . . . . . . . . 6035 1 942 . 1 1 100 100 LYS HD2 H 1 1.81 0.02 . 2 . . . . . . . . 6035 1 943 . 1 1 100 100 LYS HE2 H 1 2.92 0.02 . 2 . . . . . . . . 6035 1 944 . 1 1 100 100 LYS C C 13 171.7 0.2 . 1 . . . . . . . . 6035 1 945 . 1 1 100 100 LYS CA C 13 55.0 0.2 . 1 . . . . . . . . 6035 1 946 . 1 1 100 100 LYS CB C 13 30.4 0.2 . 1 . . . . . . . . 6035 1 947 . 1 1 100 100 LYS N N 15 121.6 0.2 . 1 . . . . . . . . 6035 1 948 . 1 1 101 101 ALA H H 1 7.90 0.02 . 1 . . . . . . . . 6035 1 949 . 1 1 101 101 ALA HA H 1 4.25 0.02 . 1 . . . . . . . . 6035 1 950 . 1 1 101 101 ALA HB1 H 1 1.40 0.02 . 1 . . . . . . . . 6035 1 951 . 1 1 101 101 ALA HB2 H 1 1.40 0.02 . 1 . . . . . . . . 6035 1 952 . 1 1 101 101 ALA HB3 H 1 1.40 0.02 . 1 . . . . . . . . 6035 1 953 . 1 1 101 101 ALA C C 13 175.7 0.2 . 1 . . . . . . . . 6035 1 954 . 1 1 101 101 ALA CA C 13 50.8 0.2 . 1 . . . . . . . . 6035 1 955 . 1 1 101 101 ALA CB C 13 16.5 0.2 . 1 . . . . . . . . 6035 1 956 . 1 1 101 101 ALA N N 15 122.5 0.2 . 1 . . . . . . . . 6035 1 957 . 1 1 102 102 ALA H H 1 8.01 0.02 . 1 . . . . . . . . 6035 1 958 . 1 1 102 102 ALA HA H 1 4.28 0.02 . 1 . . . . . . . . 6035 1 959 . 1 1 102 102 ALA HB1 H 1 1.40 0.02 . 1 . . . . . . . . 6035 1 960 . 1 1 102 102 ALA HB2 H 1 1.40 0.02 . 1 . . . . . . . . 6035 1 961 . 1 1 102 102 ALA HB3 H 1 1.40 0.02 . 1 . . . . . . . . 6035 1 962 . 1 1 102 102 ALA C C 13 176.2 0.2 . 1 . . . . . . . . 6035 1 963 . 1 1 102 102 ALA CA C 13 50.8 0.2 . 1 . . . . . . . . 6035 1 964 . 1 1 102 102 ALA CB C 13 16.8 0.2 . 1 . . . . . . . . 6035 1 965 . 1 1 102 102 ALA N N 15 122.0 0.2 . 1 . . . . . . . . 6035 1 966 . 1 1 103 103 GLY H H 1 8.13 0.02 . 1 . . . . . . . . 6035 1 967 . 1 1 103 103 GLY HA2 H 1 3.95 0.02 . 2 . . . . . . . . 6035 1 968 . 1 1 103 103 GLY C C 13 171.8 0.2 . 1 . . . . . . . . 6035 1 969 . 1 1 103 103 GLY CA C 13 43.1 0.2 . 1 . . . . . . . . 6035 1 970 . 1 1 103 103 GLY N N 15 107.2 0.2 . 1 . . . . . . . . 6035 1 971 . 1 1 104 104 THR H H 1 7.96 0.02 . 1 . . . . . . . . 6035 1 972 . 1 1 104 104 THR HA H 1 4.53 0.02 . 1 . . . . . . . . 6035 1 973 . 1 1 104 104 THR HB H 1 4.10 0.02 . 1 . . . . . . . . 6035 1 974 . 1 1 104 104 THR HG21 H 1 1.19 0.02 . 1 . . . . . . . . 6035 1 975 . 1 1 104 104 THR HG22 H 1 1.19 0.02 . 1 . . . . . . . . 6035 1 976 . 1 1 104 104 THR HG23 H 1 1.19 0.02 . 1 . . . . . . . . 6035 1 977 . 1 1 104 104 THR CA C 13 57.8 0.2 . 1 . . . . . . . . 6035 1 978 . 1 1 104 104 THR CB C 13 43.1 0.2 . 1 . . . . . . . . 6035 1 979 . 1 1 104 104 THR N N 15 116.1 0.2 . 1 . . . . . . . . 6035 1 980 . 1 1 108 108 LYS H H 1 8.37 0.02 . 1 . . . . . . . . 6035 1 981 . 1 1 108 108 LYS N N 15 121.8 0.2 . 1 . . . . . . . . 6035 1 982 . 1 1 109 109 ALA H H 1 7.91 0.02 . 1 . . . . . . . . 6035 1 983 . 1 1 109 109 ALA HA H 1 4.25 0.02 . 1 . . . . . . . . 6035 1 984 . 1 1 109 109 ALA HB1 H 1 1.40 0.02 . 1 . . . . . . . . 6035 1 985 . 1 1 109 109 ALA HB2 H 1 1.40 0.02 . 1 . . . . . . . . 6035 1 986 . 1 1 109 109 ALA HB3 H 1 1.40 0.02 . 1 . . . . . . . . 6035 1 987 . 1 1 109 109 ALA C C 13 175.1 0.2 . 1 . . . . . . . . 6035 1 988 . 1 1 109 109 ALA CA C 13 50.6 0.2 . 1 . . . . . . . . 6035 1 989 . 1 1 109 109 ALA CB C 13 16.8 0.2 . 1 . . . . . . . . 6035 1 990 . 1 1 109 109 ALA N N 15 123.0 0.2 . 1 . . . . . . . . 6035 1 991 . 1 1 110 110 VAL H H 1 8.09 0.02 . 1 . . . . . . . . 6035 1 992 . 1 1 110 110 VAL HA H 1 4.04 0.02 . 1 . . . . . . . . 6035 1 993 . 1 1 110 110 VAL HB H 1 1.96 0.02 . 1 . . . . . . . . 6035 1 994 . 1 1 110 110 VAL C C 13 173.9 0.2 . 1 . . . . . . . . 6035 1 995 . 1 1 110 110 VAL CA C 13 60.2 0.2 . 1 . . . . . . . . 6035 1 996 . 1 1 110 110 VAL CB C 13 30.5 0.2 . 1 . . . . . . . . 6035 1 997 . 1 1 110 110 VAL N N 15 120.1 0.2 . 1 . . . . . . . . 6035 1 998 . 1 1 111 111 VAL H H 1 8.18 0.02 . 1 . . . . . . . . 6035 1 999 . 1 1 111 111 VAL HA H 1 4.03 0.02 . 1 . . . . . . . . 6035 1 1000 . 1 1 111 111 VAL HB H 1 1.96 0.02 . 1 . . . . . . . . 6035 1 1001 . 1 1 111 111 VAL C C 13 173.6 0.2 . 1 . . . . . . . . 6035 1 1002 . 1 1 111 111 VAL CA C 13 60.1 0.2 . 1 . . . . . . . . 6035 1 1003 . 1 1 111 111 VAL CB C 13 30.4 0.2 . 1 . . . . . . . . 6035 1 1004 . 1 1 111 111 VAL N N 15 124.7 0.2 . 1 . . . . . . . . 6035 1 1005 . 1 1 112 112 GLN H H 1 8.39 0.02 . 1 . . . . . . . . 6035 1 1006 . 1 1 112 112 GLN HA H 1 4.25 0.02 . 1 . . . . . . . . 6035 1 1007 . 1 1 112 112 GLN HB2 H 1 1.97 0.02 . 2 . . . . . . . . 6035 1 1008 . 1 1 112 112 GLN C C 13 173.8 0.2 . 1 . . . . . . . . 6035 1 1009 . 1 1 112 112 GLN CA C 13 53.5 0.2 . 1 . . . . . . . . 6035 1 1010 . 1 1 112 112 GLN CB C 13 27.3 0.2 . 1 . . . . . . . . 6035 1 1011 . 1 1 112 112 GLN N N 15 124.7 0.2 . 1 . . . . . . . . 6035 1 1012 . 1 1 113 113 ALA H H 1 8.28 0.02 . 1 . . . . . . . . 6035 1 1013 . 1 1 113 113 ALA HA H 1 4.45 0.02 . 1 . . . . . . . . 6035 1 1014 . 1 1 113 113 ALA HB1 H 1 1.30 0.02 . 1 . . . . . . . . 6035 1 1015 . 1 1 113 113 ALA HB2 H 1 1.30 0.02 . 1 . . . . . . . . 6035 1 1016 . 1 1 113 113 ALA HB3 H 1 1.30 0.02 . 1 . . . . . . . . 6035 1 1017 . 1 1 113 113 ALA C C 13 175.1 0.2 . 1 . . . . . . . . 6035 1 1018 . 1 1 113 113 ALA CA C 13 50.1 0.2 . 1 . . . . . . . . 6035 1 1019 . 1 1 113 113 ALA CB C 13 17.0 0.2 . 1 . . . . . . . . 6035 1 1020 . 1 1 113 113 ALA N N 15 125.8 0.2 . 1 . . . . . . . . 6035 1 1021 . 1 1 114 114 LYS H H 1 8.22 0.02 . 1 . . . . . . . . 6035 1 1022 . 1 1 114 114 LYS HA H 1 4.23 0.02 . 1 . . . . . . . . 6035 1 1023 . 1 1 114 114 LYS HB2 H 1 1.67 0.02 . 2 . . . . . . . . 6035 1 1024 . 1 1 114 114 LYS C C 13 174.1 0.2 . 1 . . . . . . . . 6035 1 1025 . 1 1 114 114 LYS CA C 13 53.9 0.2 . 1 . . . . . . . . 6035 1 1026 . 1 1 114 114 LYS CB C 13 30.9 0.2 . 1 . . . . . . . . 6035 1 1027 . 1 1 114 114 LYS N N 15 120.6 0.2 . 1 . . . . . . . . 6035 1 1028 . 1 1 115 115 LEU H H 1 8.27 0.02 . 1 . . . . . . . . 6035 1 1029 . 1 1 115 115 LEU HA H 1 4.41 0.02 . 1 . . . . . . . . 6035 1 1030 . 1 1 115 115 LEU HB2 H 1 1.57 0.02 . 2 . . . . . . . . 6035 1 1031 . 1 1 115 115 LEU HB3 H 1 1.62 0.02 . 2 . . . . . . . . 6035 1 1032 . 1 1 115 115 LEU C C 13 175.1 0.2 . 1 . . . . . . . . 6035 1 1033 . 1 1 115 115 LEU CA C 13 53.1 0.2 . 1 . . . . . . . . 6035 1 1034 . 1 1 115 115 LEU CB C 13 40.2 0.2 . 1 . . . . . . . . 6035 1 1035 . 1 1 115 115 LEU N N 15 123.8 0.2 . 1 . . . . . . . . 6035 1 1036 . 1 1 116 116 THR H H 1 8.08 0.02 . 1 . . . . . . . . 6035 1 1037 . 1 1 116 116 THR HA H 1 4.41 0.02 . 1 . . . . . . . . 6035 1 1038 . 1 1 116 116 THR HB H 1 4.28 0.02 . 1 . . . . . . . . 6035 1 1039 . 1 1 116 116 THR C C 13 171.6 0.2 . 1 . . . . . . . . 6035 1 1040 . 1 1 116 116 THR CA C 13 59.2 0.2 . 1 . . . . . . . . 6035 1 1041 . 1 1 116 116 THR CB C 13 67.8 0.2 . 1 . . . . . . . . 6035 1 1042 . 1 1 116 116 THR N N 15 114.7 0.2 . 1 . . . . . . . . 6035 1 1043 . 1 1 117 117 THR H H 1 7.73 0.02 . 1 . . . . . . . . 6035 1 1044 . 1 1 117 117 THR HA H 1 4.13 0.02 . 1 . . . . . . . . 6035 1 1045 . 1 1 117 117 THR HB H 1 4.09 0.02 . 1 . . . . . . . . 6035 1 1046 . 1 1 117 117 THR HG21 H 1 1.12 0.02 . 1 . . . . . . . . 6035 1 1047 . 1 1 117 117 THR HG22 H 1 1.12 0.02 . 1 . . . . . . . . 6035 1 1048 . 1 1 117 117 THR HG23 H 1 1.12 0.02 . 1 . . . . . . . . 6035 1 1049 . 1 1 117 117 THR CA C 13 61.1 0.2 . 1 . . . . . . . . 6035 1 1050 . 1 1 117 117 THR CB C 13 68.3 0.2 . 1 . . . . . . . . 6035 1 1051 . 1 1 117 117 THR N N 15 120.9 0.2 . 1 . . . . . . . . 6035 1 stop_ save_