data_6275 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6275 _Entry.Title ; 1H, 13C and 15N resonance assignments for the six-zinc finger domain of the MTF-1 metalloregulatory protein in the free state ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-07-26 _Entry.Accession_date 2004-07-27 _Entry.Last_release_date 2005-07-25 _Entry.Original_release_date 2005-07-25 _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 'All data recorded on a Varian Inova 600 MHz spectrometer' _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 Viktor Matskevich . . . 6275 2 Belinda Potter . M. . 6275 3 John Laity . H. . 6275 4 Glen Andrews . K. . 6275 5 Nathan Knudsen . A. . 6275 6 Linda Feng . S. . 6275 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6275 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 1040 6275 '13C chemical shifts' 748 6275 '15N chemical shifts' 161 6275 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2005-07-25 2004-07-26 original author . 6275 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 6276 'MTF-1 in the DNA bound state (17bp)' 6275 BMRB 6408 'Two Zinc MTF-1' 6275 BMRB 6409 'Four Zinc MTF-1' 6275 BMRB 6445 'MTF-1 in the DNA bound state (22bp)' 6275 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6275 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'NMR assignment of the six zinc fingers of MTF-1 in the free and DNA bound states' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 31 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 94 _Citation.Page_last 94 _Citation.Year 2005 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Belinda Potter . M. . 6275 1 2 Nathan Knudsen . A. . 6275 1 3 Linda Feng . S. . 6275 1 4 Viktor Matskevich . . . 6275 1 5 Jed Wilson . A. . 6275 1 6 Glen Andrews . K. . 6275 1 7 John Laity . H. . 6275 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'DNA binding' 6275 1 metal-sensing 6275 1 'transcription factor' 6275 1 'zinc affinities' 6275 1 'zinc fingers' 6275 1 'zinc homeostasis' 6275 1 stop_ save_ save_Original_cloning_of_MTF-1 _Citation.Sf_category citations _Citation.Sf_framecode Original_cloning_of_MTF-1 _Citation.Entry_ID 6275 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 8467794 _Citation.Full_citation ; Radtke, F., Heuchel, R., Georgiev, O., Hergersberg, M., Gariglio, M., Dembic, Z., and Schaffner, W. (1993). Cloned transcription factor MTF-1 activates the mouse metallothionein I promoter. EMBO J., 12, 1355-1362. ; _Citation.Title 'Cloned transcription factor MTF-1 activates the mouse metallothionein I promoter.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'EMBO J.' _Citation.Journal_name_full 'The EMBO journal' _Citation.Journal_volume 12 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0261-4189 _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 1355 _Citation.Page_last 1362 _Citation.Year 1993 _Citation.Details ; Metallothioneins (MTs) are small cysteine-rich proteins whose structure is conserved from fungi to man. MTs strongly bind heavy metals, notably zinc, copper and cadmium. Upon exposure of cells to heavy metal and other adverse treatments, MT gene transcription is strongly enhanced. Metal induction is mediated by several copies of a 15 bp consensus sequence (metal-responsive element, MRE) present in the promoter region of MT genes. We and others have demonstrated the presence of an MRE-binding factor in HeLa cell nuclear extracts. We found that this factor, termed MTF-1 (MRE-binding transcription factor) is inactivated/reactivated in vitro by zinc withdrawal/addition. Here we report that the amounts of MTF-1-DNA complexes are elevated several-fold in zinc-treated cells, as measured by bandshift assay. We have also cloned the cDNA of mouse MTF-1, a 72.5 kDa protein. MTF-1 contains six zinc fingers and separate transcriptional activation domains with high contents of acidic and proline residues. Ectopic expression of MTF-1 in primate or rodent cells strongly enhances transcription of a reporter gene that is driven by four consensus MREd sites, or by the complete mouse MT-I promoter, even at normal zinc levels. ; 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 F. Radtke F. . . 6275 2 2 R. Heuchel R. . . 6275 2 3 O. Georgiev O. . . 6275 2 4 M. Hergersberg M. . . 6275 2 5 M. Gariglio M. . . 6275 2 6 Z. Dembic Z. . . 6275 2 7 W. Schaffner W. . . 6275 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_MTF-1 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_MTF-1 _Assembly.Entry_ID 6275 _Assembly.ID 1 _Assembly.Name 'Metal-response element-binding transcription factor-1' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all other bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6275 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 'MTF-1 monomer' 1 $MTF-1 . . . native . . . . . 6275 1 2 'ZINC (II) ION 1' 2 $ZN . . . native . . . . . 6275 1 3 'ZINC (II) ION 2' 2 $ZN . . . native . . . . . 6275 1 4 'ZINC (II) ION 3' 2 $ZN . . . native . . . . . 6275 1 5 'ZINC (II) ION 4' 2 $ZN . . . native . . . . . 6275 1 6 'ZINC (II) ION 5' 2 $ZN . . . native . . . . . 6275 1 7 'ZINC (II) ION 6' 2 $ZN . . . native . . . . . 6275 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 1 . 1 CYS 6 6 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 6275 1 2 coordination single . 1 . 1 CYS 11 11 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 6275 1 3 coordination single . 1 . 1 HIS 24 24 NE2 . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 6275 1 4 coordination single . 1 . 1 HIS 28 28 NE2 . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 6275 1 5 coordination single . 1 . 1 CYS 36 36 SG . 3 . 2 ZN 1 1 ZN . . . . . . . . . . 6275 1 6 coordination single . 1 . 1 CYS 41 41 SG . 3 . 2 ZN 1 1 ZN . . . . . . . . . . 6275 1 7 coordination single . 1 . 1 HIS 54 54 NE2 . 3 . 2 ZN 1 1 ZN . . . . . . . . . . 6275 1 8 coordination single . 1 . 1 HIS 58 58 NE2 . 3 . 2 ZN 1 1 ZN . . . . . . . . . . 6275 1 9 coordination single . 1 . 1 CYS 66 66 SG . 4 . 2 ZN 1 1 ZN . . . . . . . . . . 6275 1 10 coordination single . 1 . 1 CYS 71 71 SG . 4 . 2 ZN 1 1 ZN . . . . . . . . . . 6275 1 11 coordination single . 1 . 1 HIS 84 84 NE2 . 4 . 2 ZN 1 1 ZN . . . . . . . . . . 6275 1 12 coordination single . 1 . 1 HIS 88 88 NE2 . 4 . 2 ZN 1 1 ZN . . . . . . . . . . 6275 1 13 coordination single . 1 . 1 CYS 95 95 SG . 5 . 2 ZN 1 1 ZN . . . . . . . . . . 6275 1 14 coordination single . 1 . 1 CYS 100 100 SG . 5 . 2 ZN 1 1 ZN . . . . . . . . . . 6275 1 15 coordination single . 1 . 1 HIS 113 113 NE2 . 5 . 2 ZN 1 1 ZN . . . . . . . . . . 6275 1 16 coordination single . 1 . 1 HIS 117 117 NE2 . 5 . 2 ZN 1 1 ZN . . . . . . . . . . 6275 1 17 coordination single . 1 . 1 CYS 125 125 SG . 6 . 2 ZN 1 1 ZN . . . . . . . . . . 6275 1 18 coordination single . 1 . 1 CYS 130 130 SG . 6 . 2 ZN 1 1 ZN . . . . . . . . . . 6275 1 19 coordination single . 1 . 1 HIS 143 143 NE2 . 6 . 2 ZN 1 1 ZN . . . . . . . . . . 6275 1 20 coordination single . 1 . 1 HIS 147 147 NE2 . 6 . 2 ZN 1 1 ZN . . . . . . . . . . 6275 1 21 coordination single . 1 . 1 CYS 155 155 SG . 7 . 2 ZN 1 1 ZN . . . . . . . . . . 6275 1 22 coordination single . 1 . 1 CYS 160 160 SG . 7 . 2 ZN 1 1 ZN . . . . . . . . . . 6275 1 23 coordination single . 1 . 1 HIS 173 173 NE2 . 7 . 2 ZN 1 1 ZN . . . . . . . . . . 6275 1 24 coordination single . 1 . 1 HIS 177 177 NE2 . 7 . 2 ZN 1 1 ZN . . . . . . . . . . 6275 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Metal-response element-binding transcription factor-1' system 6275 1 MTF-1 abbreviation 6275 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'transcription factor' 6275 1 'metalloregulatory protein' 6275 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MTF-1 _Entity.Sf_category entity _Entity.Sf_framecode MTF-1 _Entity.Entry_ID 6275 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'metal-response element-binding transcription factor-1' _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 ; VKRYQCTFEGCPRTYSTAGN LRTHQKTHRGEYTFVCNQEG CGKAFLTSYSLRIHVRVHTK EKPFECDVQGCEKAFNTLYR LKAHQRLHTGKTFNCESQGC SKYFTTLSDLRKHIRTHTGE KPFRCDHDGCGKAFAASHHL KTHVRTHTGERPFFCPSNGC EKTFSTQYSLKSHMKGH ; _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 177 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all other bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 20367 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'Six Cys2His2 zinc finger motifs' _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID . . BMRB 6276 . 'metal-response element-binding transcription factor-1' . . . . . 100.00 177 100.00 100.00 6.69e-99 . . . . 6275 1 . . BMRB 6445 . 'metal-response element-binding transcription factor-1' . . . . . 100.00 177 100.00 100.00 6.69e-99 . . . . 6275 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'metal-response element-binding transcription factor-1' common 6275 1 MTF-1 abbreviation 6275 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 . VAL . 6275 1 2 . LYS . 6275 1 3 . ARG . 6275 1 4 . TYR . 6275 1 5 . GLN . 6275 1 6 . CYS . 6275 1 7 . THR . 6275 1 8 . PHE . 6275 1 9 . GLU . 6275 1 10 . GLY . 6275 1 11 . CYS . 6275 1 12 . PRO . 6275 1 13 . ARG . 6275 1 14 . THR . 6275 1 15 . TYR . 6275 1 16 . SER . 6275 1 17 . THR . 6275 1 18 . ALA . 6275 1 19 . GLY . 6275 1 20 . ASN . 6275 1 21 . LEU . 6275 1 22 . ARG . 6275 1 23 . THR . 6275 1 24 . HIS . 6275 1 25 . GLN . 6275 1 26 . LYS . 6275 1 27 . THR . 6275 1 28 . HIS . 6275 1 29 . ARG . 6275 1 30 . GLY . 6275 1 31 . GLU . 6275 1 32 . TYR . 6275 1 33 . THR . 6275 1 34 . PHE . 6275 1 35 . VAL . 6275 1 36 . CYS . 6275 1 37 . ASN . 6275 1 38 . GLN . 6275 1 39 . GLU . 6275 1 40 . GLY . 6275 1 41 . CYS . 6275 1 42 . GLY . 6275 1 43 . LYS . 6275 1 44 . ALA . 6275 1 45 . PHE . 6275 1 46 . LEU . 6275 1 47 . THR . 6275 1 48 . SER . 6275 1 49 . TYR . 6275 1 50 . SER . 6275 1 51 . LEU . 6275 1 52 . ARG . 6275 1 53 . ILE . 6275 1 54 . HIS . 6275 1 55 . VAL . 6275 1 56 . ARG . 6275 1 57 . VAL . 6275 1 58 . HIS . 6275 1 59 . THR . 6275 1 60 . LYS . 6275 1 61 . GLU . 6275 1 62 . LYS . 6275 1 63 . PRO . 6275 1 64 . PHE . 6275 1 65 . GLU . 6275 1 66 . CYS . 6275 1 67 . ASP . 6275 1 68 . VAL . 6275 1 69 . GLN . 6275 1 70 . GLY . 6275 1 71 . CYS . 6275 1 72 . GLU . 6275 1 73 . LYS . 6275 1 74 . ALA . 6275 1 75 . PHE . 6275 1 76 . ASN . 6275 1 77 . THR . 6275 1 78 . LEU . 6275 1 79 . TYR . 6275 1 80 . ARG . 6275 1 81 . LEU . 6275 1 82 . LYS . 6275 1 83 . ALA . 6275 1 84 . HIS . 6275 1 85 . GLN . 6275 1 86 . ARG . 6275 1 87 . LEU . 6275 1 88 . HIS . 6275 1 89 . THR . 6275 1 90 . GLY . 6275 1 91 . LYS . 6275 1 92 . THR . 6275 1 93 . PHE . 6275 1 94 . ASN . 6275 1 95 . CYS . 6275 1 96 . GLU . 6275 1 97 . SER . 6275 1 98 . GLN . 6275 1 99 . GLY . 6275 1 100 . CYS . 6275 1 101 . SER . 6275 1 102 . LYS . 6275 1 103 . TYR . 6275 1 104 . PHE . 6275 1 105 . THR . 6275 1 106 . THR . 6275 1 107 . LEU . 6275 1 108 . SER . 6275 1 109 . ASP . 6275 1 110 . LEU . 6275 1 111 . ARG . 6275 1 112 . LYS . 6275 1 113 . HIS . 6275 1 114 . ILE . 6275 1 115 . ARG . 6275 1 116 . THR . 6275 1 117 . HIS . 6275 1 118 . THR . 6275 1 119 . GLY . 6275 1 120 . GLU . 6275 1 121 . LYS . 6275 1 122 . PRO . 6275 1 123 . PHE . 6275 1 124 . ARG . 6275 1 125 . CYS . 6275 1 126 . ASP . 6275 1 127 . HIS . 6275 1 128 . ASP . 6275 1 129 . GLY . 6275 1 130 . CYS . 6275 1 131 . GLY . 6275 1 132 . LYS . 6275 1 133 . ALA . 6275 1 134 . PHE . 6275 1 135 . ALA . 6275 1 136 . ALA . 6275 1 137 . SER . 6275 1 138 . HIS . 6275 1 139 . HIS . 6275 1 140 . LEU . 6275 1 141 . LYS . 6275 1 142 . THR . 6275 1 143 . HIS . 6275 1 144 . VAL . 6275 1 145 . ARG . 6275 1 146 . THR . 6275 1 147 . HIS . 6275 1 148 . THR . 6275 1 149 . GLY . 6275 1 150 . GLU . 6275 1 151 . ARG . 6275 1 152 . PRO . 6275 1 153 . PHE . 6275 1 154 . PHE . 6275 1 155 . CYS . 6275 1 156 . PRO . 6275 1 157 . SER . 6275 1 158 . ASN . 6275 1 159 . GLY . 6275 1 160 . CYS . 6275 1 161 . GLU . 6275 1 162 . LYS . 6275 1 163 . THR . 6275 1 164 . PHE . 6275 1 165 . SER . 6275 1 166 . THR . 6275 1 167 . GLN . 6275 1 168 . TYR . 6275 1 169 . SER . 6275 1 170 . LEU . 6275 1 171 . LYS . 6275 1 172 . SER . 6275 1 173 . HIS . 6275 1 174 . MET . 6275 1 175 . LYS . 6275 1 176 . GLY . 6275 1 177 . HIS . 6275 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 . VAL 1 1 6275 1 . LYS 2 2 6275 1 . ARG 3 3 6275 1 . TYR 4 4 6275 1 . GLN 5 5 6275 1 . CYS 6 6 6275 1 . THR 7 7 6275 1 . PHE 8 8 6275 1 . GLU 9 9 6275 1 . GLY 10 10 6275 1 . CYS 11 11 6275 1 . PRO 12 12 6275 1 . ARG 13 13 6275 1 . THR 14 14 6275 1 . TYR 15 15 6275 1 . SER 16 16 6275 1 . THR 17 17 6275 1 . ALA 18 18 6275 1 . GLY 19 19 6275 1 . ASN 20 20 6275 1 . LEU 21 21 6275 1 . ARG 22 22 6275 1 . THR 23 23 6275 1 . HIS 24 24 6275 1 . GLN 25 25 6275 1 . LYS 26 26 6275 1 . THR 27 27 6275 1 . HIS 28 28 6275 1 . ARG 29 29 6275 1 . GLY 30 30 6275 1 . GLU 31 31 6275 1 . TYR 32 32 6275 1 . THR 33 33 6275 1 . PHE 34 34 6275 1 . VAL 35 35 6275 1 . CYS 36 36 6275 1 . ASN 37 37 6275 1 . GLN 38 38 6275 1 . GLU 39 39 6275 1 . GLY 40 40 6275 1 . CYS 41 41 6275 1 . GLY 42 42 6275 1 . LYS 43 43 6275 1 . ALA 44 44 6275 1 . PHE 45 45 6275 1 . LEU 46 46 6275 1 . THR 47 47 6275 1 . SER 48 48 6275 1 . TYR 49 49 6275 1 . SER 50 50 6275 1 . LEU 51 51 6275 1 . ARG 52 52 6275 1 . ILE 53 53 6275 1 . HIS 54 54 6275 1 . VAL 55 55 6275 1 . ARG 56 56 6275 1 . VAL 57 57 6275 1 . HIS 58 58 6275 1 . THR 59 59 6275 1 . LYS 60 60 6275 1 . GLU 61 61 6275 1 . LYS 62 62 6275 1 . PRO 63 63 6275 1 . PHE 64 64 6275 1 . GLU 65 65 6275 1 . CYS 66 66 6275 1 . ASP 67 67 6275 1 . VAL 68 68 6275 1 . GLN 69 69 6275 1 . GLY 70 70 6275 1 . CYS 71 71 6275 1 . GLU 72 72 6275 1 . LYS 73 73 6275 1 . ALA 74 74 6275 1 . PHE 75 75 6275 1 . ASN 76 76 6275 1 . THR 77 77 6275 1 . LEU 78 78 6275 1 . TYR 79 79 6275 1 . ARG 80 80 6275 1 . LEU 81 81 6275 1 . LYS 82 82 6275 1 . ALA 83 83 6275 1 . HIS 84 84 6275 1 . GLN 85 85 6275 1 . ARG 86 86 6275 1 . LEU 87 87 6275 1 . HIS 88 88 6275 1 . THR 89 89 6275 1 . GLY 90 90 6275 1 . LYS 91 91 6275 1 . THR 92 92 6275 1 . PHE 93 93 6275 1 . ASN 94 94 6275 1 . CYS 95 95 6275 1 . GLU 96 96 6275 1 . SER 97 97 6275 1 . GLN 98 98 6275 1 . GLY 99 99 6275 1 . CYS 100 100 6275 1 . SER 101 101 6275 1 . LYS 102 102 6275 1 . TYR 103 103 6275 1 . PHE 104 104 6275 1 . THR 105 105 6275 1 . THR 106 106 6275 1 . LEU 107 107 6275 1 . SER 108 108 6275 1 . ASP 109 109 6275 1 . LEU 110 110 6275 1 . ARG 111 111 6275 1 . LYS 112 112 6275 1 . HIS 113 113 6275 1 . ILE 114 114 6275 1 . ARG 115 115 6275 1 . THR 116 116 6275 1 . HIS 117 117 6275 1 . THR 118 118 6275 1 . GLY 119 119 6275 1 . GLU 120 120 6275 1 . LYS 121 121 6275 1 . PRO 122 122 6275 1 . PHE 123 123 6275 1 . ARG 124 124 6275 1 . CYS 125 125 6275 1 . ASP 126 126 6275 1 . HIS 127 127 6275 1 . ASP 128 128 6275 1 . GLY 129 129 6275 1 . CYS 130 130 6275 1 . GLY 131 131 6275 1 . LYS 132 132 6275 1 . ALA 133 133 6275 1 . PHE 134 134 6275 1 . ALA 135 135 6275 1 . ALA 136 136 6275 1 . SER 137 137 6275 1 . HIS 138 138 6275 1 . HIS 139 139 6275 1 . LEU 140 140 6275 1 . LYS 141 141 6275 1 . THR 142 142 6275 1 . HIS 143 143 6275 1 . VAL 144 144 6275 1 . ARG 145 145 6275 1 . THR 146 146 6275 1 . HIS 147 147 6275 1 . THR 148 148 6275 1 . GLY 149 149 6275 1 . GLU 150 150 6275 1 . ARG 151 151 6275 1 . PRO 152 152 6275 1 . PHE 153 153 6275 1 . PHE 154 154 6275 1 . CYS 155 155 6275 1 . PRO 156 156 6275 1 . SER 157 157 6275 1 . ASN 158 158 6275 1 . GLY 159 159 6275 1 . CYS 160 160 6275 1 . GLU 161 161 6275 1 . LYS 162 162 6275 1 . THR 163 163 6275 1 . PHE 164 164 6275 1 . SER 165 165 6275 1 . THR 166 166 6275 1 . GLN 167 167 6275 1 . TYR 168 168 6275 1 . SER 169 169 6275 1 . LEU 170 170 6275 1 . LYS 171 171 6275 1 . SER 172 172 6275 1 . HIS 173 173 6275 1 . MET 174 174 6275 1 . LYS 175 175 6275 1 . GLY 176 176 6275 1 . HIS 177 177 6275 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 6275 _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 . 6275 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 6275 _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 $MTF-1 . 10090 organism . 'Mus musculus' mouse . . Eukaryota Metazoa Mus musculus . . . ubiquitous ubiquitous . . . . . . . 'cytoplasm and nucleus' . 'I.M.A.G.E. Consortium Clone ID 1260636' . MTF-1 . . . . 6275 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 6275 _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 $MTF-1 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6275 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 6275 _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 Aug 1 10:53:48 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 6275 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 6275 ZN [Zn++] SMILES CACTVS 3.341 6275 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 6275 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 6275 ZN InChI=1S/Zn/q+2 InChI InChI 1.03 6275 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 6275 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 6275 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 6275 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 . 6275 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_all_samples _Sample.Sf_category sample _Sample.Sf_framecode all_samples _Sample.Entry_ID 6275 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Backbone spectra were recorded with 95% H2O/5% D2O and side chain spectra were recorded with 95% D2O/5% H2O' _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 'metal-response element-binding transcription factor-1' '[U-98% 13C; U-98% 15N]' . . 1 $MTF-1 . . 1.0 0.8 1.2 mM . . . . 6275 1 2 '2-Morpholinoethanesulfonic acid' . . . . . . . 20 . . mM . . . . 6275 1 3 H2O . . . . . . . 95 . . % . . . . 6275 1 4 D2O . . . . . . . 5 . . % . . . . 6275 1 stop_ save_ ####################### # Sample conditions # ####################### save_Cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Cond_1 _Sample_condition_list.Entry_ID 6275 _Sample_condition_list.ID 1 _Sample_condition_list.Details ; Protein was produced in a reduced lyopholized form (free thiols). Protein was subsequently resuspended in degassed buffer under anaerobic conditions. ; loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.9 0.03 pH 6275 1 temperature 303 0.1 K 6275 1 'ionic strength' 0.01 0.01 M 6275 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 6275 _Software.ID 1 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details ; Johnson, B.A. and Blevins, R.A.(1994) NMRView: A computer program for the visualization and analysis of NMR Data. J. Biomol. NMR 4, 603-614. ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Data analysis' 6275 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 6275 _Software.ID 2 _Software.Name NMRPipe _Software.Version 97.027.12.56 _Software.Details ; Delaglio, F., Grzesiek, S., Vuister, G.W., Zhu, G., Pfeifer, J., & Bax, A. (1995). NMRPipe: a multidimensional spectral processing system based on UNIX pipes. J. Biomol. NMR 6, 277-293. ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Raw spectral data processing' 6275 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 6275 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6275 _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 Varian INOVA . 600 . . . 6275 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 6275 _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 EXPERIMENTS:' . . . . . . . . . . . 1 $all_samples . . . 1 $Cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6275 1 2 '1H-15N HSQC' . . . . . . . . . . . 1 $all_samples . . . 1 $Cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6275 1 3 '3D EXPERIMENTS:' . . . . . . . . . . . 1 $all_samples . . . 1 $Cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6275 1 4 HNCACB . . . . . . . . . . . 1 $all_samples . . . 1 $Cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6275 1 5 HNCA . . . . . . . . . . . 1 $all_samples . . . 1 $Cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6275 1 6 CBCA(CO)NH . . . . . . . . . . . 1 $all_samples . . . 1 $Cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6275 1 7 (HCA)CO(CA)NH . . . . . . . . . . . 1 $all_samples . . . 1 $Cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6275 1 8 HNCO . . . . . . . . . . . 1 $all_samples . . . 1 $Cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6275 1 9 3J-HNHA . . . . . . . . . . . 1 $all_samples . . . 1 $Cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6275 1 10 HCCH-TOCSY . . . . . . . . . . . 1 $all_samples . . . 1 $Cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6275 1 11 HCCH-COSY . . . . . . . . . . . 1 $all_samples . . . 1 $Cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6275 1 12 1H-15N-HSQC-NOESY . . . . . . . . . . . 1 $all_samples . . . 1 $Cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6275 1 13 '1H-13C-HSQC-NOESY (two data sets with carbon-transmitter centered at 119 and 37 ppm)' . . . . . . . . . . . 1 $all_samples . . . 1 $Cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6275 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 6275 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D EXPERIMENTS:' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Either an RT HCN Triax probe or a cryogenically cooled HCN Triax probe (cryoprobe) was used for all experiments' 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 6275 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Either an RT HCN Triax probe or a cryogenically cooled HCN Triax probe (cryoprobe) was used for all experiments' 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 6275 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '3D EXPERIMENTS:' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Either an RT HCN Triax probe or a cryogenically cooled HCN Triax probe (cryoprobe) was used for all experiments' 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 6275 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Either an RT HCN Triax probe or a cryogenically cooled HCN Triax probe (cryoprobe) was used for all experiments' 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 6275 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Either an RT HCN Triax probe or a cryogenically cooled HCN Triax probe (cryoprobe) was used for all experiments' 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 6275 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name 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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Either an RT HCN Triax probe or a cryogenically cooled HCN Triax probe (cryoprobe) was used for all experiments' 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 6275 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name (HCA)CO(CA)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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Either an RT HCN Triax probe or a cryogenically cooled HCN Triax probe (cryoprobe) was used for all experiments' 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 6275 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Either an RT HCN Triax probe or a cryogenically cooled HCN Triax probe (cryoprobe) was used for all experiments' 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 6275 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name 3J-HNHA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Either an RT HCN Triax probe or a cryogenically cooled HCN Triax probe (cryoprobe) was used for all experiments' 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 6275 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name 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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Either an RT HCN Triax probe or a cryogenically cooled HCN Triax probe (cryoprobe) was used for all experiments' 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 6275 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name 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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Either an RT HCN Triax probe or a cryogenically cooled HCN Triax probe (cryoprobe) was used for all experiments' 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 6275 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name 1H-15N-HSQC-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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Either an RT HCN Triax probe or a cryogenically cooled HCN Triax probe (cryoprobe) was used for all experiments' 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 6275 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name '1H-13C-HSQC-NOESY (two data sets with carbon-transmitter centered at 119 and 37 ppm)' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Either an RT HCN Triax probe or a cryogenically cooled HCN Triax probe (cryoprobe) was used for all experiments' 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 6275 _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 . . . . . . . . . 6275 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6275 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6275 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_MTF-1_free _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode MTF-1_free _Assigned_chem_shift_list.Entry_ID 6275 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $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 $all_samples . 6275 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 ARG CA C 13 55.0 0.31 . 1 . . . . . . . . 6275 1 2 . 1 1 3 3 ARG CB C 13 32.6 0.31 . 1 . . . . . . . . 6275 1 3 . 1 1 4 4 TYR H H 1 8.76 0.015 . 1 . . . . . . . . 6275 1 4 . 1 1 4 4 TYR HA H 1 4.48 0.015 . 1 . . . . . . . . 6275 1 5 . 1 1 4 4 TYR HB2 H 1 2.86 0.02 . 1 . . . . . . . . 6275 1 6 . 1 1 4 4 TYR HB3 H 1 2.70 0.02 . 1 . . . . . . . . 6275 1 7 . 1 1 4 4 TYR HD1 H 1 6.94 0.02 . 1 . . . . . . . . 6275 1 8 . 1 1 4 4 TYR HD2 H 1 6.94 0.02 . 1 . . . . . . . . 6275 1 9 . 1 1 4 4 TYR HE1 H 1 6.76 0.02 . 1 . . . . . . . . 6275 1 10 . 1 1 4 4 TYR HE2 H 1 6.76 0.02 . 1 . . . . . . . . 6275 1 11 . 1 1 4 4 TYR C C 13 174.9 0.08 . 1 . . . . . . . . 6275 1 12 . 1 1 4 4 TYR CA C 13 57.6 0.31 . 1 . . . . . . . . 6275 1 13 . 1 1 4 4 TYR CB C 13 38.6 0.31 . 1 . . . . . . . . 6275 1 14 . 1 1 4 4 TYR CD1 C 13 133.2 0.31 . 1 . . . . . . . . 6275 1 15 . 1 1 4 4 TYR CD2 C 13 133.2 0.31 . 1 . . . . . . . . 6275 1 16 . 1 1 4 4 TYR CE1 C 13 118.2 0.31 . 1 . . . . . . . . 6275 1 17 . 1 1 4 4 TYR CE2 C 13 118.2 0.31 . 1 . . . . . . . . 6275 1 18 . 1 1 4 4 TYR N N 15 121.2 0.14 . 1 . . . . . . . . 6275 1 19 . 1 1 5 5 GLN H H 1 8.50 0.015 . 1 . . . . . . . . 6275 1 20 . 1 1 5 5 GLN HA H 1 4.84 0.015 . 1 . . . . . . . . 6275 1 21 . 1 1 5 5 GLN HB2 H 1 1.97 0.02 . 4 . . . . . . . . 6275 1 22 . 1 1 5 5 GLN HB3 H 1 1.91 0.02 . 4 . . . . . . . . 6275 1 23 . 1 1 5 5 GLN HG2 H 1 2.49 0.02 . 1 . . . . . . . . 6275 1 24 . 1 1 5 5 GLN HG3 H 1 2.23 0.02 . 1 . . . . . . . . 6275 1 25 . 1 1 5 5 GLN C C 13 174.4 0.08 . 1 . . . . . . . . 6275 1 26 . 1 1 5 5 GLN CA C 13 54.8 0.31 . 1 . . . . . . . . 6275 1 27 . 1 1 5 5 GLN CB C 13 30.6 0.31 . 1 . . . . . . . . 6275 1 28 . 1 1 5 5 GLN CG C 13 36.5 0.31 . 1 . . . . . . . . 6275 1 29 . 1 1 5 5 GLN N N 15 124.7 0.14 . 1 . . . . . . . . 6275 1 30 . 1 1 6 6 CYS H H 1 8.47 0.015 . 1 . . . . . . . . 6275 1 31 . 1 1 6 6 CYS HA H 1 4.37 0.015 . 1 . . . . . . . . 6275 1 32 . 1 1 6 6 CYS HB2 H 1 3.17 0.02 . 1 . . . . . . . . 6275 1 33 . 1 1 6 6 CYS HB3 H 1 2.88 0.02 . 1 . . . . . . . . 6275 1 34 . 1 1 6 6 CYS C C 13 176.0 0.08 . 1 . . . . . . . . 6275 1 35 . 1 1 6 6 CYS CA C 13 62.4 0.31 . 1 . . . . . . . . 6275 1 36 . 1 1 6 6 CYS CB C 13 29.8 0.31 . 1 . . . . . . . . 6275 1 37 . 1 1 6 6 CYS N N 15 126.4 0.14 . 1 . . . . . . . . 6275 1 38 . 1 1 7 7 THR H H 1 7.65 0.015 . 1 . . . . . . . . 6275 1 39 . 1 1 7 7 THR HA H 1 4.37 0.015 . 1 . . . . . . . . 6275 1 40 . 1 1 7 7 THR HB H 1 4.48 0.02 . 1 . . . . . . . . 6275 1 41 . 1 1 7 7 THR HG21 H 1 1.25 0.02 . 1 . . . . . . . . 6275 1 42 . 1 1 7 7 THR HG22 H 1 1.25 0.02 . 1 . . . . . . . . 6275 1 43 . 1 1 7 7 THR HG23 H 1 1.25 0.02 . 1 . . . . . . . . 6275 1 44 . 1 1 7 7 THR C C 13 174.8 0.08 . 1 . . . . . . . . 6275 1 45 . 1 1 7 7 THR CA C 13 61.9 0.31 . 1 . . . . . . . . 6275 1 46 . 1 1 7 7 THR CB C 13 69.2 0.31 . 1 . . . . . . . . 6275 1 47 . 1 1 7 7 THR CG2 C 13 21.8 0.31 . 1 . . . . . . . . 6275 1 48 . 1 1 7 7 THR N N 15 116.4 0.14 . 1 . . . . . . . . 6275 1 49 . 1 1 8 8 PHE H H 1 8.93 0.015 . 1 . . . . . . . . 6275 1 50 . 1 1 8 8 PHE HA H 1 4.06 0.015 . 1 . . . . . . . . 6275 1 51 . 1 1 8 8 PHE HB2 H 1 2.52 0.02 . 1 . . . . . . . . 6275 1 52 . 1 1 8 8 PHE HB3 H 1 2.26 0.02 . 1 . . . . . . . . 6275 1 53 . 1 1 8 8 PHE HD1 H 1 6.74 0.02 . 1 . . . . . . . . 6275 1 54 . 1 1 8 8 PHE HD2 H 1 6.74 0.02 . 1 . . . . . . . . 6275 1 55 . 1 1 8 8 PHE HE1 H 1 6.68 0.02 . 1 . . . . . . . . 6275 1 56 . 1 1 8 8 PHE HE2 H 1 6.68 0.02 . 1 . . . . . . . . 6275 1 57 . 1 1 8 8 PHE HZ H 1 7.11 0.02 . 1 . . . . . . . . 6275 1 58 . 1 1 8 8 PHE C C 13 175.8 0.08 . 1 . . . . . . . . 6275 1 59 . 1 1 8 8 PHE CA C 13 59.1 0.31 . 1 . . . . . . . . 6275 1 60 . 1 1 8 8 PHE CB C 13 38.8 0.31 . 1 . . . . . . . . 6275 1 61 . 1 1 8 8 PHE CD1 C 13 132.2 0.31 . 1 . . . . . . . . 6275 1 62 . 1 1 8 8 PHE CD2 C 13 132.2 0.31 . 1 . . . . . . . . 6275 1 63 . 1 1 8 8 PHE CE1 C 13 131.6 0.31 . 1 . . . . . . . . 6275 1 64 . 1 1 8 8 PHE CE2 C 13 131.6 0.31 . 1 . . . . . . . . 6275 1 65 . 1 1 8 8 PHE CZ C 13 132.9 0.31 . 1 . . . . . . . . 6275 1 66 . 1 1 8 8 PHE N N 15 128.2 0.14 . 1 . . . . . . . . 6275 1 67 . 1 1 9 9 GLU H H 1 8.06 0.015 . 1 . . . . . . . . 6275 1 68 . 1 1 9 9 GLU HA H 1 3.82 0.015 . 1 . . . . . . . . 6275 1 69 . 1 1 9 9 GLU HB2 H 1 1.90 0.02 . 1 . . . . . . . . 6275 1 70 . 1 1 9 9 GLU HB3 H 1 1.80 0.02 . 1 . . . . . . . . 6275 1 71 . 1 1 9 9 GLU HG2 H 1 2.20 0.02 . 1 . . . . . . . . 6275 1 72 . 1 1 9 9 GLU HG3 H 1 2.13 0.02 . 1 . . . . . . . . 6275 1 73 . 1 1 9 9 GLU C C 13 176.8 0.08 . 1 . . . . . . . . 6275 1 74 . 1 1 9 9 GLU CA C 13 58.3 0.31 . 1 . . . . . . . . 6275 1 75 . 1 1 9 9 GLU CB C 13 29.4 0.31 . 1 . . . . . . . . 6275 1 76 . 1 1 9 9 GLU CG C 13 35.9 0.31 . 1 . . . . . . . . 6275 1 77 . 1 1 9 9 GLU N N 15 127.2 0.14 . 1 . . . . . . . . 6275 1 78 . 1 1 10 10 GLY H H 1 8.74 0.015 . 5 . . . . . . . . 6275 1 79 . 1 1 10 10 GLY HA2 H 1 4.13 0.02 . 4 . . . . . . . . 6275 1 80 . 1 1 10 10 GLY HA3 H 1 3.66 0.02 . 4 . . . . . . . . 6275 1 81 . 1 1 10 10 GLY C C 13 173.7 0.08 . 5 . . . . . . . . 6275 1 82 . 1 1 10 10 GLY CA C 13 45.4 0.31 . 5 . . . . . . . . 6275 1 83 . 1 1 10 10 GLY N N 15 113.5 0.14 . 5 . . . . . . . . 6275 1 84 . 1 1 11 11 CYS H H 1 8.16 0.015 . 1 . . . . . . . . 6275 1 85 . 1 1 11 11 CYS HA H 1 4.89 0.015 . 1 . . . . . . . . 6275 1 86 . 1 1 11 11 CYS HB2 H 1 3.33 0.02 . 1 . . . . . . . . 6275 1 87 . 1 1 11 11 CYS HB3 H 1 2.86 0.02 . 1 . . . . . . . . 6275 1 88 . 1 1 11 11 CYS C C 13 175.4 0.08 . 1 . . . . . . . . 6275 1 89 . 1 1 11 11 CYS CA C 13 57.2 0.31 . 1 . . . . . . . . 6275 1 90 . 1 1 11 11 CYS CB C 13 31.0 0.31 . 1 . . . . . . . . 6275 1 91 . 1 1 11 11 CYS N N 15 125.1 0.14 . 1 . . . . . . . . 6275 1 92 . 1 1 12 12 PRO C C 13 177.3 0.08 . 1 . . . . . . . . 6275 1 93 . 1 1 12 12 PRO CA C 13 63.0 0.31 . 1 . . . . . . . . 6275 1 94 . 1 1 12 12 PRO CB C 13 32.5 0.31 . 1 . . . . . . . . 6275 1 95 . 1 1 13 13 ARG H H 1 8.11 0.015 . 1 . . . . . . . . 6275 1 96 . 1 1 13 13 ARG HA H 1 3.96 0.015 . 1 . . . . . . . . 6275 1 97 . 1 1 13 13 ARG HB2 H 1 1.74 0.02 . 4 . . . . . . . . 6275 1 98 . 1 1 13 13 ARG HB3 H 1 1.74 0.02 . 4 . . . . . . . . 6275 1 99 . 1 1 13 13 ARG HG2 H 1 1.50 0.02 . 4 . . . . . . . . 6275 1 100 . 1 1 13 13 ARG HG3 H 1 1.50 0.02 . 4 . . . . . . . . 6275 1 101 . 1 1 13 13 ARG HD2 H 1 3.17 0.02 . 4 . . . . . . . . 6275 1 102 . 1 1 13 13 ARG HD3 H 1 3.17 0.02 . 4 . . . . . . . . 6275 1 103 . 1 1 13 13 ARG C C 13 175.1 0.08 . 1 . . . . . . . . 6275 1 104 . 1 1 13 13 ARG CA C 13 57.4 0.31 . 1 . . . . . . . . 6275 1 105 . 1 1 13 13 ARG CB C 13 30.5 0.31 . 1 . . . . . . . . 6275 1 106 . 1 1 13 13 ARG CG C 13 27.5 0.31 . 1 . . . . . . . . 6275 1 107 . 1 1 13 13 ARG CD C 13 43.7 0.31 . 1 . . . . . . . . 6275 1 108 . 1 1 13 13 ARG N N 15 122.4 0.14 . 1 . . . . . . . . 6275 1 109 . 1 1 14 14 THR H H 1 7.46 0.015 . 1 . . . . . . . . 6275 1 110 . 1 1 14 14 THR HA H 1 4.99 0.015 . 1 . . . . . . . . 6275 1 111 . 1 1 14 14 THR HB H 1 3.77 0.02 . 1 . . . . . . . . 6275 1 112 . 1 1 14 14 THR HG21 H 1 1.06 0.02 . 1 . . . . . . . . 6275 1 113 . 1 1 14 14 THR HG22 H 1 1.06 0.02 . 1 . . . . . . . . 6275 1 114 . 1 1 14 14 THR HG23 H 1 1.06 0.02 . 1 . . . . . . . . 6275 1 115 . 1 1 14 14 THR C C 13 172.4 0.08 . 1 . . . . . . . . 6275 1 116 . 1 1 14 14 THR CA C 13 59.9 0.31 . 1 . . . . . . . . 6275 1 117 . 1 1 14 14 THR CB C 13 71.9 0.31 . 1 . . . . . . . . 6275 1 118 . 1 1 14 14 THR CG2 C 13 20.8 0.31 . 1 . . . . . . . . 6275 1 119 . 1 1 14 14 THR N N 15 112.0 0.14 . 1 . . . . . . . . 6275 1 120 . 1 1 15 15 TYR H H 1 8.61 0.015 . 1 . . . . . . . . 6275 1 121 . 1 1 15 15 TYR HA H 1 4.74 0.015 . 1 . . . . . . . . 6275 1 122 . 1 1 15 15 TYR HB2 H 1 3.38 0.02 . 1 . . . . . . . . 6275 1 123 . 1 1 15 15 TYR HB3 H 1 2.63 0.02 . 1 . . . . . . . . 6275 1 124 . 1 1 15 15 TYR HD1 H 1 7.05 0.02 . 1 . . . . . . . . 6275 1 125 . 1 1 15 15 TYR HD2 H 1 7.05 0.02 . 1 . . . . . . . . 6275 1 126 . 1 1 15 15 TYR HE1 H 1 6.35 0.02 . 1 . . . . . . . . 6275 1 127 . 1 1 15 15 TYR HE2 H 1 6.35 0.02 . 1 . . . . . . . . 6275 1 128 . 1 1 15 15 TYR C C 13 175.4 0.08 . 1 . . . . . . . . 6275 1 129 . 1 1 15 15 TYR CA C 13 58.0 0.31 . 1 . . . . . . . . 6275 1 130 . 1 1 15 15 TYR CB C 13 44.2 0.31 . 1 . . . . . . . . 6275 1 131 . 1 1 15 15 TYR CD1 C 13 127.2 0.31 . 1 . . . . . . . . 6275 1 132 . 1 1 15 15 TYR CD2 C 13 127.2 0.31 . 1 . . . . . . . . 6275 1 133 . 1 1 15 15 TYR CE1 C 13 118.5 0.31 . 1 . . . . . . . . 6275 1 134 . 1 1 15 15 TYR CE2 C 13 118.5 0.31 . 1 . . . . . . . . 6275 1 135 . 1 1 15 15 TYR N N 15 119.0 0.14 . 1 . . . . . . . . 6275 1 136 . 1 1 16 16 SER C C 13 174.4 0.08 . 1 . . . . . . . . 6275 1 137 . 1 1 16 16 SER CA C 13 59.3 0.31 . 1 . . . . . . . . 6275 1 138 . 1 1 16 16 SER CB C 13 64.2 0.31 . 1 . . . . . . . . 6275 1 139 . 1 1 17 17 THR H H 1 7.26 0.015 . 1 . . . . . . . . 6275 1 140 . 1 1 17 17 THR HA H 1 4.58 0.015 . 1 . . . . . . . . 6275 1 141 . 1 1 17 17 THR HB H 1 4.34 0.02 . 1 . . . . . . . . 6275 1 142 . 1 1 17 17 THR HG21 H 1 1.17 0.02 . 1 . . . . . . . . 6275 1 143 . 1 1 17 17 THR HG22 H 1 1.17 0.02 . 1 . . . . . . . . 6275 1 144 . 1 1 17 17 THR HG23 H 1 1.17 0.02 . 1 . . . . . . . . 6275 1 145 . 1 1 17 17 THR C C 13 173.4 0.08 . 1 . . . . . . . . 6275 1 146 . 1 1 17 17 THR CA C 13 58.9 0.31 . 1 . . . . . . . . 6275 1 147 . 1 1 17 17 THR CB C 13 72.4 0.31 . 1 . . . . . . . . 6275 1 148 . 1 1 17 17 THR CG2 C 13 20.6 0.31 . 1 . . . . . . . . 6275 1 149 . 1 1 17 17 THR N N 15 108.3 0.14 . 1 . . . . . . . . 6275 1 150 . 1 1 18 18 ALA H H 1 8.28 0.015 . 1 . . . . . . . . 6275 1 151 . 1 1 18 18 ALA HA H 1 3.23 0.015 . 1 . . . . . . . . 6275 1 152 . 1 1 18 18 ALA HB1 H 1 1.08 0.02 . 1 . . . . . . . . 6275 1 153 . 1 1 18 18 ALA HB2 H 1 1.08 0.02 . 1 . . . . . . . . 6275 1 154 . 1 1 18 18 ALA HB3 H 1 1.08 0.02 . 1 . . . . . . . . 6275 1 155 . 1 1 18 18 ALA C C 13 180.8 0.08 . 1 . . . . . . . . 6275 1 156 . 1 1 18 18 ALA CA C 13 54.2 0.31 . 1 . . . . . . . . 6275 1 157 . 1 1 18 18 ALA CB C 13 17.9 0.31 . 1 . . . . . . . . 6275 1 158 . 1 1 18 18 ALA N N 15 125.0 0.14 . 1 . . . . . . . . 6275 1 159 . 1 1 19 19 GLY H H 1 8.60 0.015 . 1 . . . . . . . . 6275 1 160 . 1 1 19 19 GLY HA2 H 1 3.78 0.02 . 4 . . . . . . . . 6275 1 161 . 1 1 19 19 GLY HA3 H 1 3.62 0.02 . 4 . . . . . . . . 6275 1 162 . 1 1 19 19 GLY C C 13 176.2 0.08 . 1 . . . . . . . . 6275 1 163 . 1 1 19 19 GLY CA C 13 46.9 0.31 . 1 . . . . . . . . 6275 1 164 . 1 1 19 19 GLY N N 15 106.3 0.31 . 1 . . . . . . . . 6275 1 165 . 1 1 20 20 ASN H H 1 7.63 0.015 . 1 . . . . . . . . 6275 1 166 . 1 1 20 20 ASN HA H 1 4.37 0.015 . 1 . . . . . . . . 6275 1 167 . 1 1 20 20 ASN HB2 H 1 2.73 0.02 . 1 . . . . . . . . 6275 1 168 . 1 1 20 20 ASN HB3 H 1 2.65 0.02 . 1 . . . . . . . . 6275 1 169 . 1 1 20 20 ASN C C 13 177.8 0.08 . 1 . . . . . . . . 6275 1 170 . 1 1 20 20 ASN CA C 13 55.0 0.31 . 1 . . . . . . . . 6275 1 171 . 1 1 20 20 ASN CB C 13 37.4 0.31 . 1 . . . . . . . . 6275 1 172 . 1 1 20 20 ASN N N 15 120.2 0.14 . 1 . . . . . . . . 6275 1 173 . 1 1 21 21 LEU H H 1 7.16 0.015 . 1 . . . . . . . . 6275 1 174 . 1 1 21 21 LEU HA H 1 3.67 0.015 . 1 . . . . . . . . 6275 1 175 . 1 1 21 21 LEU HB2 H 1 1.97 0.02 . 1 . . . . . . . . 6275 1 176 . 1 1 21 21 LEU HB3 H 1 1.42 0.02 . 1 . . . . . . . . 6275 1 177 . 1 1 21 21 LEU HG H 1 1.50 0.02 . 1 . . . . . . . . 6275 1 178 . 1 1 21 21 LEU HD11 H 1 1.14 0.02 . 2 . . . . . . . . 6275 1 179 . 1 1 21 21 LEU HD12 H 1 1.14 0.02 . 2 . . . . . . . . 6275 1 180 . 1 1 21 21 LEU HD13 H 1 1.14 0.02 . 2 . . . . . . . . 6275 1 181 . 1 1 21 21 LEU HD21 H 1 1.01 0.02 . 2 . . . . . . . . 6275 1 182 . 1 1 21 21 LEU HD22 H 1 1.01 0.02 . 2 . . . . . . . . 6275 1 183 . 1 1 21 21 LEU HD23 H 1 1.01 0.02 . 2 . . . . . . . . 6275 1 184 . 1 1 21 21 LEU C C 13 177.6 0.08 . 1 . . . . . . . . 6275 1 185 . 1 1 21 21 LEU CA C 13 58.1 0.31 . 1 . . . . . . . . 6275 1 186 . 1 1 21 21 LEU CB C 13 40.3 0.31 . 1 . . . . . . . . 6275 1 187 . 1 1 21 21 LEU CG C 13 27.5 0.31 . 1 . . . . . . . . 6275 1 188 . 1 1 21 21 LEU CD1 C 13 22.8 0.31 . 1 . . . . . . . . 6275 1 189 . 1 1 21 21 LEU CD2 C 13 22.8 0.31 . 1 . . . . . . . . 6275 1 190 . 1 1 21 21 LEU N N 15 121.6 0.14 . 1 . . . . . . . . 6275 1 191 . 1 1 22 22 ARG H H 1 8.21 0.015 . 1 . . . . . . . . 6275 1 192 . 1 1 22 22 ARG HA H 1 4.06 0.015 . 1 . . . . . . . . 6275 1 193 . 1 1 22 22 ARG HB2 H 1 1.86 0.02 . 1 . . . . . . . . 6275 1 194 . 1 1 22 22 ARG HB3 H 1 1.86 0.02 . 1 . . . . . . . . 6275 1 195 . 1 1 22 22 ARG HG2 H 1 1.53 0.02 . 1 . . . . . . . . 6275 1 196 . 1 1 22 22 ARG HG3 H 1 1.53 0.02 . 1 . . . . . . . . 6275 1 197 . 1 1 22 22 ARG HD2 H 1 3.18 0.02 . 1 . . . . . . . . 6275 1 198 . 1 1 22 22 ARG HD3 H 1 3.18 0.02 . 1 . . . . . . . . 6275 1 199 . 1 1 22 22 ARG C C 13 179.4 0.08 . 1 . . . . . . . . 6275 1 200 . 1 1 22 22 ARG CA C 13 59.7 0.31 . 1 . . . . . . . . 6275 1 201 . 1 1 22 22 ARG CB C 13 29.9 0.31 . 1 . . . . . . . . 6275 1 202 . 1 1 22 22 ARG CG C 13 27.5 0.31 . 1 . . . . . . . . 6275 1 203 . 1 1 22 22 ARG CD C 13 43.7 0.31 . 1 . . . . . . . . 6275 1 204 . 1 1 22 22 ARG N N 15 120.3 0.14 . 1 . . . . . . . . 6275 1 205 . 1 1 23 23 THR H H 1 7.86 0.015 . 1 . . . . . . . . 6275 1 206 . 1 1 23 23 THR HA H 1 3.72 0.015 . 1 . . . . . . . . 6275 1 207 . 1 1 23 23 THR HB H 1 4.03 0.02 . 1 . . . . . . . . 6275 1 208 . 1 1 23 23 THR HG21 H 1 1.14 0.02 . 1 . . . . . . . . 6275 1 209 . 1 1 23 23 THR HG22 H 1 1.14 0.02 . 1 . . . . . . . . 6275 1 210 . 1 1 23 23 THR HG23 H 1 1.14 0.02 . 1 . . . . . . . . 6275 1 211 . 1 1 23 23 THR C C 13 176.5 0.08 . 1 . . . . . . . . 6275 1 212 . 1 1 23 23 THR CA C 13 66.4 0.31 . 1 . . . . . . . . 6275 1 213 . 1 1 23 23 THR CB C 13 68.4 0.31 . 1 . . . . . . . . 6275 1 214 . 1 1 23 23 THR CG2 C 13 22.1 0.31 . 1 . . . . . . . . 6275 1 215 . 1 1 23 23 THR N N 15 115.7 0.14 . 1 . . . . . . . . 6275 1 216 . 1 1 24 24 HIS H H 1 7.37 0.015 . 1 . . . . . . . . 6275 1 217 . 1 1 24 24 HIS HA H 1 4.27 0.015 . 1 . . . . . . . . 6275 1 218 . 1 1 24 24 HIS HB2 H 1 3.10 0.02 . 1 . . . . . . . . 6275 1 219 . 1 1 24 24 HIS HB3 H 1 2.92 0.02 . 1 . . . . . . . . 6275 1 220 . 1 1 24 24 HIS HE1 H 1 7.70 0.02 . 1 . . . . . . . . 6275 1 221 . 1 1 24 24 HIS C C 13 178.2 0.08 . 1 . . . . . . . . 6275 1 222 . 1 1 24 24 HIS CA C 13 59.0 0.31 . 1 . . . . . . . . 6275 1 223 . 1 1 24 24 HIS CB C 13 28.0 0.31 . 1 . . . . . . . . 6275 1 224 . 1 1 24 24 HIS CE1 C 13 139.4 0.31 . 1 . . . . . . . . 6275 1 225 . 1 1 24 24 HIS N N 15 120.7 0.14 . 1 . . . . . . . . 6275 1 226 . 1 1 25 25 GLN H H 1 8.89 0.015 . 1 . . . . . . . . 6275 1 227 . 1 1 25 25 GLN HA H 1 3.49 0.015 . 1 . . . . . . . . 6275 1 228 . 1 1 25 25 GLN HB2 H 1 2.34 0.02 . 1 . . . . . . . . 6275 1 229 . 1 1 25 25 GLN HB3 H 1 2.05 0.02 . 1 . . . . . . . . 6275 1 230 . 1 1 25 25 GLN HG2 H 1 2.82 0.02 . 1 . . . . . . . . 6275 1 231 . 1 1 25 25 GLN HG3 H 1 2.64 0.02 . 1 . . . . . . . . 6275 1 232 . 1 1 25 25 GLN C C 13 177.8 0.08 . 1 . . . . . . . . 6275 1 233 . 1 1 25 25 GLN CA C 13 60.0 0.31 . 1 . . . . . . . . 6275 1 234 . 1 1 25 25 GLN CB C 13 28.4 0.31 . 1 . . . . . . . . 6275 1 235 . 1 1 25 25 GLN CG C 13 36.18 0.31 . 1 . . . . . . . . 6275 1 236 . 1 1 25 25 GLN N N 15 120.0 0.14 . 1 . . . . . . . . 6275 1 237 . 1 1 26 26 LYS H H 1 7.16 0.015 . 1 . . . . . . . . 6275 1 238 . 1 1 26 26 LYS HA H 1 4.01 0.015 . 1 . . . . . . . . 6275 1 239 . 1 1 26 26 LYS HB2 H 1 1.85 0.02 . 1 . . . . . . . . 6275 1 240 . 1 1 26 26 LYS HB3 H 1 1.85 0.02 . 1 . . . . . . . . 6275 1 241 . 1 1 26 26 LYS HG2 H 1 1.45 0.02 . 1 . . . . . . . . 6275 1 242 . 1 1 26 26 LYS HG3 H 1 1.64 0.02 . 4 . . . . . . . . 6275 1 243 . 1 1 26 26 LYS HD2 H 1 1.64 0.02 . 1 . . . . . . . . 6275 1 244 . 1 1 26 26 LYS HD3 H 1 1.64 0.02 . 1 . . . . . . . . 6275 1 245 . 1 1 26 26 LYS HE2 H 1 2.91 0.02 . 1 . . . . . . . . 6275 1 246 . 1 1 26 26 LYS HE3 H 1 2.91 0.02 . 1 . . . . . . . . 6275 1 247 . 1 1 26 26 LYS C C 13 178.1 0.08 . 1 . . . . . . . . 6275 1 248 . 1 1 26 26 LYS CA C 13 58.7 0.31 . 1 . . . . . . . . 6275 1 249 . 1 1 26 26 LYS CB C 13 32.5 0.31 . 1 . . . . . . . . 6275 1 250 . 1 1 26 26 LYS CG C 13 25.3 0.31 . 1 . . . . . . . . 6275 1 251 . 1 1 26 26 LYS CD C 13 29.0 0.31 . 1 . . . . . . . . 6275 1 252 . 1 1 26 26 LYS CE C 13 42.0 0.31 . 1 . . . . . . . . 6275 1 253 . 1 1 26 26 LYS N N 15 117.3 0.14 . 1 . . . . . . . . 6275 1 254 . 1 1 27 27 THR H H 1 7.66 0.015 . 1 . . . . . . . . 6275 1 255 . 1 1 27 27 THR HA H 1 4.03 0.015 . 1 . . . . . . . . 6275 1 256 . 1 1 27 27 THR HB H 1 3.92 0.02 . 1 . . . . . . . . 6275 1 257 . 1 1 27 27 THR HG21 H 1 1.14 0.02 . 1 . . . . . . . . 6275 1 258 . 1 1 27 27 THR HG22 H 1 1.14 0.02 . 1 . . . . . . . . 6275 1 259 . 1 1 27 27 THR HG23 H 1 1.14 0.02 . 1 . . . . . . . . 6275 1 260 . 1 1 27 27 THR C C 13 175.5 0.08 . 1 . . . . . . . . 6275 1 261 . 1 1 27 27 THR CA C 13 63.6 0.31 . 1 . . . . . . . . 6275 1 262 . 1 1 27 27 THR CB C 13 69.3 0.31 . 1 . . . . . . . . 6275 1 263 . 1 1 27 27 THR CG2 C 13 20.9 0.31 . 1 . . . . . . . . 6275 1 264 . 1 1 27 27 THR N N 15 109.1 0.14 . 1 . . . . . . . . 6275 1 265 . 1 1 28 28 HIS H H 1 6.87 0.015 . 1 . . . . . . . . 6275 1 266 . 1 1 28 28 HIS HA H 1 4.40 0.015 . 1 . . . . . . . . 6275 1 267 . 1 1 28 28 HIS HB2 H 1 2.32 0.02 . 1 . . . . . . . . 6275 1 268 . 1 1 28 28 HIS HB3 H 1 2.47 0.02 . 1 . . . . . . . . 6275 1 269 . 1 1 28 28 HIS HD2 H 1 6.00 0.02 . 1 . . . . . . . . 6275 1 270 . 1 1 28 28 HIS HE1 H 1 7.92 0.02 . 1 . . . . . . . . 6275 1 271 . 1 1 28 28 HIS C C 13 174.9 0.08 . 1 . . . . . . . . 6275 1 272 . 1 1 28 28 HIS CA C 13 55.7 0.31 . 1 . . . . . . . . 6275 1 273 . 1 1 28 28 HIS CB C 13 28.7 0.31 . 1 . . . . . . . . 6275 1 274 . 1 1 28 28 HIS CD2 C 13 127.2 0.31 . 1 . . . . . . . . 6275 1 275 . 1 1 28 28 HIS CE1 C 13 139.4 0.31 . 1 . . . . . . . . 6275 1 276 . 1 1 28 28 HIS N N 15 118.9 0.14 . 1 . . . . . . . . 6275 1 277 . 1 1 29 29 ARG H H 1 7.66 0.015 . 1 . . . . . . . . 6275 1 278 . 1 1 29 29 ARG HA H 1 4.27 0.015 . 1 . . . . . . . . 6275 1 279 . 1 1 29 29 ARG HB2 H 1 1.77 0.02 . 1 . . . . . . . . 6275 1 280 . 1 1 29 29 ARG HB3 H 1 1.77 0.02 . 1 . . . . . . . . 6275 1 281 . 1 1 29 29 ARG HG2 H 1 1.61 0.02 . 1 . . . . . . . . 6275 1 282 . 1 1 29 29 ARG HG3 H 1 1.61 0.02 . 1 . . . . . . . . 6275 1 283 . 1 1 29 29 ARG HD2 H 1 3.17 0.02 . 1 . . . . . . . . 6275 1 284 . 1 1 29 29 ARG HD3 H 1 3.17 0.02 . 1 . . . . . . . . 6275 1 285 . 1 1 29 29 ARG C C 13 176.5 0.08 . 1 . . . . . . . . 6275 1 286 . 1 1 29 29 ARG CA C 13 56.5 0.31 . 1 . . . . . . . . 6275 1 287 . 1 1 29 29 ARG CB C 13 30.7 0.31 . 1 . . . . . . . . 6275 1 288 . 1 1 29 29 ARG CG C 13 27.5 0.31 . 1 . . . . . . . . 6275 1 289 . 1 1 29 29 ARG CD C 13 43.7 0.31 . 1 . . . . . . . . 6275 1 290 . 1 1 29 29 ARG N N 15 120.2 0.14 . 1 . . . . . . . . 6275 1 291 . 1 1 30 30 GLY H H 1 8.31 0.015 . 5 . . . . . . . . 6275 1 292 . 1 1 30 30 GLY HA2 H 1 4.14 0.02 . 2 . . . . . . . . 6275 1 293 . 1 1 30 30 GLY HA3 H 1 3.93 0.02 . 2 . . . . . . . . 6275 1 294 . 1 1 30 30 GLY C C 13 173.6 0.08 . 5 . . . . . . . . 6275 1 295 . 1 1 30 30 GLY CA C 13 45.4 0.31 . 5 . . . . . . . . 6275 1 296 . 1 1 30 30 GLY N N 15 109.6 0.14 . 5 . . . . . . . . 6275 1 297 . 1 1 31 31 GLU H H 1 8.12 0.015 . 1 . . . . . . . . 6275 1 298 . 1 1 31 31 GLU HA H 1 4.27 0.015 . 1 . . . . . . . . 6275 1 299 . 1 1 31 31 GLU HB2 H 1 1.95 0.02 . 1 . . . . . . . . 6275 1 300 . 1 1 31 31 GLU HB3 H 1 1.77 0.02 . 1 . . . . . . . . 6275 1 301 . 1 1 31 31 GLU HG2 H 1 2.16 0.02 . 1 . . . . . . . . 6275 1 302 . 1 1 31 31 GLU HG3 H 1 2.16 0.02 . 1 . . . . . . . . 6275 1 303 . 1 1 31 31 GLU C C 13 175.9 0.08 . 1 . . . . . . . . 6275 1 304 . 1 1 31 31 GLU CA C 13 56.3 0.31 . 1 . . . . . . . . 6275 1 305 . 1 1 31 31 GLU CB C 13 30.5 0.31 . 1 . . . . . . . . 6275 1 306 . 1 1 31 31 GLU CG C 13 36.5 0.31 . 1 . . . . . . . . 6275 1 307 . 1 1 31 31 GLU N N 15 119.6 0.14 . 1 . . . . . . . . 6275 1 308 . 1 1 32 32 TYR H H 1 8.19 0.015 . 1 . . . . . . . . 6275 1 309 . 1 1 32 32 TYR HA H 1 4.45 0.015 . 1 . . . . . . . . 6275 1 310 . 1 1 32 32 TYR HB2 H 1 2.78 0.02 . 2 . . . . . . . . 6275 1 311 . 1 1 32 32 TYR HB3 H 1 2.70 0.02 . 2 . . . . . . . . 6275 1 312 . 1 1 32 32 TYR HD1 H 1 6.90 0.02 . 1 . . . . . . . . 6275 1 313 . 1 1 32 32 TYR HD2 H 1 6.90 0.02 . 1 . . . . . . . . 6275 1 314 . 1 1 32 32 TYR HE1 H 1 6.76 0.02 . 1 . . . . . . . . 6275 1 315 . 1 1 32 32 TYR HE2 H 1 6.76 0.02 . 1 . . . . . . . . 6275 1 316 . 1 1 32 32 TYR C C 13 175.6 0.08 . 1 . . . . . . . . 6275 1 317 . 1 1 32 32 TYR CA C 13 57.3 0.31 . 1 . . . . . . . . 6275 1 318 . 1 1 32 32 TYR CB C 13 37.6 0.31 . 1 . . . . . . . . 6275 1 319 . 1 1 32 32 TYR CD1 C 13 133.2 0.31 . 1 . . . . . . . . 6275 1 320 . 1 1 32 32 TYR CD2 C 13 133.2 0.31 . 1 . . . . . . . . 6275 1 321 . 1 1 32 32 TYR CE1 C 13 118.2 0.31 . 1 . . . . . . . . 6275 1 322 . 1 1 32 32 TYR CE2 C 13 118.2 0.31 . 1 . . . . . . . . 6275 1 323 . 1 1 32 32 TYR N N 15 122.0 0.14 . 1 . . . . . . . . 6275 1 324 . 1 1 33 33 THR H H 1 7.75 0.015 . 1 . . . . . . . . 6275 1 325 . 1 1 33 33 THR HA H 1 4.16 0.015 . 1 . . . . . . . . 6275 1 326 . 1 1 33 33 THR HB H 1 3.89 0.02 . 1 . . . . . . . . 6275 1 327 . 1 1 33 33 THR HG21 H 1 0.91 0.02 . 1 . . . . . . . . 6275 1 328 . 1 1 33 33 THR HG22 H 1 0.91 0.02 . 1 . . . . . . . . 6275 1 329 . 1 1 33 33 THR HG23 H 1 0.91 0.02 . 1 . . . . . . . . 6275 1 330 . 1 1 33 33 THR C C 13 174.0 0.08 . 1 . . . . . . . . 6275 1 331 . 1 1 33 33 THR CA C 13 62.0 0.31 . 1 . . . . . . . . 6275 1 332 . 1 1 33 33 THR CB C 13 69.7 0.31 . 1 . . . . . . . . 6275 1 333 . 1 1 33 33 THR CG2 C 13 21.8 0.31 . 1 . . . . . . . . 6275 1 334 . 1 1 33 33 THR N N 15 111.7 0.14 . 1 . . . . . . . . 6275 1 335 . 1 1 34 34 PHE H H 1 8.20 0.015 . 1 . . . . . . . . 6275 1 336 . 1 1 34 34 PHE HA H 1 4.59 0.015 . 1 . . . . . . . . 6275 1 337 . 1 1 34 34 PHE HB2 H 1 2.88 0.02 . 1 . . . . . . . . 6275 1 338 . 1 1 34 34 PHE HB3 H 1 2.70 0.02 . 1 . . . . . . . . 6275 1 339 . 1 1 34 34 PHE HD1 H 1 6.81 0.02 . 1 . . . . . . . . 6275 1 340 . 1 1 34 34 PHE HD2 H 1 6.81 0.02 . 1 . . . . . . . . 6275 1 341 . 1 1 34 34 PHE HE1 H 1 6.93 0.02 . 1 . . . . . . . . 6275 1 342 . 1 1 34 34 PHE HE2 H 1 6.93 0.02 . 1 . . . . . . . . 6275 1 343 . 1 1 34 34 PHE C C 13 174.4 0.08 . 1 . . . . . . . . 6275 1 344 . 1 1 34 34 PHE CA C 13 57.6 0.31 . 1 . . . . . . . . 6275 1 345 . 1 1 34 34 PHE CB C 13 39.1 0.31 . 1 . . . . . . . . 6275 1 346 . 1 1 34 34 PHE CD1 C 13 130.7 0.31 . 1 . . . . . . . . 6275 1 347 . 1 1 34 34 PHE CD2 C 13 130.7 0.31 . 1 . . . . . . . . 6275 1 348 . 1 1 34 34 PHE CE1 C 13 127.9 0.31 . 1 . . . . . . . . 6275 1 349 . 1 1 34 34 PHE CE2 C 13 127.9 0.31 . 1 . . . . . . . . 6275 1 350 . 1 1 34 34 PHE N N 15 122.6 0.14 . 1 . . . . . . . . 6275 1 351 . 1 1 35 35 VAL H H 1 8.26 0.015 . 1 . . . . . . . . 6275 1 352 . 1 1 35 35 VAL HA H 1 4.60 0.015 . 1 . . . . . . . . 6275 1 353 . 1 1 35 35 VAL HB H 1 1.84 0.02 . 1 . . . . . . . . 6275 1 354 . 1 1 35 35 VAL HG11 H 1 0.77 0.02 . 1 . . . . . . . . 6275 1 355 . 1 1 35 35 VAL HG12 H 1 0.77 0.02 . 1 . . . . . . . . 6275 1 356 . 1 1 35 35 VAL HG13 H 1 0.77 0.02 . 1 . . . . . . . . 6275 1 357 . 1 1 35 35 VAL HG21 H 1 0.77 0.02 . 1 . . . . . . . . 6275 1 358 . 1 1 35 35 VAL HG22 H 1 0.77 0.02 . 1 . . . . . . . . 6275 1 359 . 1 1 35 35 VAL HG23 H 1 0.77 0.02 . 1 . . . . . . . . 6275 1 360 . 1 1 35 35 VAL C C 13 174.9 0.08 . 1 . . . . . . . . 6275 1 361 . 1 1 35 35 VAL CA C 13 61.3 0.31 . 1 . . . . . . . . 6275 1 362 . 1 1 35 35 VAL CB C 13 34.5 0.31 . 1 . . . . . . . . 6275 1 363 . 1 1 35 35 VAL CG1 C 13 21.2 0.31 . 1 . . . . . . . . 6275 1 364 . 1 1 35 35 VAL CG2 C 13 21.2 0.31 . 1 . . . . . . . . 6275 1 365 . 1 1 35 35 VAL N N 15 124.4 0.14 . 1 . . . . . . . . 6275 1 366 . 1 1 36 36 CYS H H 1 9.01 0.015 . 1 . . . . . . . . 6275 1 367 . 1 1 36 36 CYS HA H 1 4.60 0.015 . 1 . . . . . . . . 6275 1 368 . 1 1 36 36 CYS HB2 H 1 3.30 0.02 . 1 . . . . . . . . 6275 1 369 . 1 1 36 36 CYS HB3 H 1 2.83 0.02 . 1 . . . . . . . . 6275 1 370 . 1 1 36 36 CYS C C 13 175.7 0.08 . 1 . . . . . . . . 6275 1 371 . 1 1 36 36 CYS CA C 13 61.0 0.31 . 1 . . . . . . . . 6275 1 372 . 1 1 36 36 CYS CB C 13 30.0 0.31 . 1 . . . . . . . . 6275 1 373 . 1 1 36 36 CYS N N 15 128.9 0.14 . 1 . . . . . . . . 6275 1 374 . 1 1 37 37 ASN H H 1 8.52 0.015 . 1 . . . . . . . . 6275 1 375 . 1 1 37 37 ASN HA H 1 4.79 0.015 . 1 . . . . . . . . 6275 1 376 . 1 1 37 37 ASN HB2 H 1 2.92 0.02 . 1 . . . . . . . . 6275 1 377 . 1 1 37 37 ASN HB3 H 1 2.87 0.02 . 1 . . . . . . . . 6275 1 378 . 1 1 37 37 ASN C C 13 175.4 0.08 . 1 . . . . . . . . 6275 1 379 . 1 1 37 37 ASN CA C 13 53.1 0.31 . 1 . . . . . . . . 6275 1 380 . 1 1 37 37 ASN CB C 13 38.8 0.31 . 1 . . . . . . . . 6275 1 381 . 1 1 37 37 ASN N N 15 127.1 0.14 . 1 . . . . . . . . 6275 1 382 . 1 1 38 38 GLN H H 1 8.50 0.015 . 1 . . . . . . . . 6275 1 383 . 1 1 38 38 GLN HA H 1 3.96 0.015 . 1 . . . . . . . . 6275 1 384 . 1 1 38 38 GLN HB2 H 1 1.97 0.02 . 1 . . . . . . . . 6275 1 385 . 1 1 38 38 GLN HB3 H 1 1.97 0.02 . 1 . . . . . . . . 6275 1 386 . 1 1 38 38 GLN HG2 H 1 2.31 0.02 . 1 . . . . . . . . 6275 1 387 . 1 1 38 38 GLN HG3 H 1 2.31 0.02 . 1 . . . . . . . . 6275 1 388 . 1 1 38 38 GLN C C 13 176.7 0.08 . 1 . . . . . . . . 6275 1 389 . 1 1 38 38 GLN CA C 13 56.6 0.31 . 1 . . . . . . . . 6275 1 390 . 1 1 38 38 GLN CB C 13 27.9 0.31 . 1 . . . . . . . . 6275 1 391 . 1 1 38 38 GLN CG C 13 33.7 0.31 . 1 . . . . . . . . 6275 1 392 . 1 1 38 38 GLN N N 15 123.4 0.14 . 1 . . . . . . . . 6275 1 393 . 1 1 39 39 GLU H H 1 8.88 0.015 . 1 . . . . . . . . 6275 1 394 . 1 1 39 39 GLU HA H 1 3.96 0.015 . 1 . . . . . . . . 6275 1 395 . 1 1 39 39 GLU HB2 H 1 1.87 0.02 . 1 . . . . . . . . 6275 1 396 . 1 1 39 39 GLU HB3 H 1 1.87 0.02 . 1 . . . . . . . . 6275 1 397 . 1 1 39 39 GLU HG2 H 1 2.22 0.02 . 1 . . . . . . . . 6275 1 398 . 1 1 39 39 GLU HG3 H 1 2.18 0.02 . 1 . . . . . . . . 6275 1 399 . 1 1 39 39 GLU C C 13 177.5 0.08 . 1 . . . . . . . . 6275 1 400 . 1 1 39 39 GLU CA C 13 58.4 0.31 . 1 . . . . . . . . 6275 1 401 . 1 1 39 39 GLU CB C 13 29.1 0.31 . 1 . . . . . . . . 6275 1 402 . 1 1 39 39 GLU CG C 13 35.9 0.31 . 1 . . . . . . . . 6275 1 403 . 1 1 39 39 GLU N N 15 129.5 0.14 . 1 . . . . . . . . 6275 1 404 . 1 1 40 40 GLY H H 1 8.87 0.015 . 5 . . . . . . . . 6275 1 405 . 1 1 40 40 GLY HA2 H 1 4.10 0.02 . 2 . . . . . . . . 6275 1 406 . 1 1 40 40 GLY HA3 H 1 3.71 0.02 . 2 . . . . . . . . 6275 1 407 . 1 1 40 40 GLY C C 13 173.4 0.08 . 5 . . . . . . . . 6275 1 408 . 1 1 40 40 GLY CA C 13 45.4 0.31 . 5 . . . . . . . . 6275 1 409 . 1 1 40 40 GLY N N 15 113.4 0.14 . 5 . . . . . . . . 6275 1 410 . 1 1 41 41 CYS H H 1 7.80 0.015 . 1 . . . . . . . . 6275 1 411 . 1 1 41 41 CYS HA H 1 4.58 0.015 . 1 . . . . . . . . 6275 1 412 . 1 1 41 41 CYS HB2 H 1 3.05 0.02 . 1 . . . . . . . . 6275 1 413 . 1 1 41 41 CYS HB3 H 1 2.68 0.02 . 1 . . . . . . . . 6275 1 414 . 1 1 41 41 CYS C C 13 175.7 0.08 . 1 . . . . . . . . 6275 1 415 . 1 1 41 41 CYS CA C 13 60.4 0.31 . 1 . . . . . . . . 6275 1 416 . 1 1 41 41 CYS CB C 13 28.9 0.31 . 1 . . . . . . . . 6275 1 417 . 1 1 41 41 CYS N N 15 122.6 0.14 . 1 . . . . . . . . 6275 1 418 . 1 1 42 42 GLY H H 1 8.05 0.015 . 1 . . . . . . . . 6275 1 419 . 1 1 42 42 GLY HA2 H 1 3.92 0.015 . 1 . . . . . . . . 6275 1 420 . 1 1 42 42 GLY C C 13 174.4 0.08 . 1 . . . . . . . . 6275 1 421 . 1 1 42 42 GLY CA C 13 46.0 0.31 . 1 . . . . . . . . 6275 1 422 . 1 1 42 42 GLY N N 15 105.6 0.14 . 1 . . . . . . . . 6275 1 423 . 1 1 43 43 LYS H H 1 7.94 0.015 . 1 . . . . . . . . 6275 1 424 . 1 1 43 43 LYS HA H 1 3.91 0.015 . 1 . . . . . . . . 6275 1 425 . 1 1 43 43 LYS HB2 H 1 1.27 0.02 . 1 . . . . . . . . 6275 1 426 . 1 1 43 43 LYS HB3 H 1 1.27 0.02 . 1 . . . . . . . . 6275 1 427 . 1 1 43 43 LYS HG2 H 1 1.45 0.02 . 1 . . . . . . . . 6275 1 428 . 1 1 43 43 LYS HG3 H 1 1.51 0.02 . 1 . . . . . . . . 6275 1 429 . 1 1 43 43 LYS HD2 H 1 1.45 0.02 . 1 . . . . . . . . 6275 1 430 . 1 1 43 43 LYS HD3 H 1 1.45 0.02 . 1 . . . . . . . . 6275 1 431 . 1 1 43 43 LYS HE2 H 1 2.96 0.02 . 1 . . . . . . . . 6275 1 432 . 1 1 43 43 LYS HE3 H 1 2.96 0.02 . 1 . . . . . . . . 6275 1 433 . 1 1 43 43 LYS C C 13 173.3 0.08 . 1 . . . . . . . . 6275 1 434 . 1 1 43 43 LYS CA C 13 57.8 0.31 . 1 . . . . . . . . 6275 1 435 . 1 1 43 43 LYS CB C 13 33.6 0.31 . 1 . . . . . . . . 6275 1 436 . 1 1 43 43 LYS CG C 13 25.6 0.31 . 1 . . . . . . . . 6275 1 437 . 1 1 43 43 LYS CD C 13 29.0 0.31 . 1 . . . . . . . . 6275 1 438 . 1 1 43 43 LYS CE C 13 42.0 0.31 . 1 . . . . . . . . 6275 1 439 . 1 1 43 43 LYS N N 15 121.9 0.14 . 1 . . . . . . . . 6275 1 440 . 1 1 44 44 ALA H H 1 7.49 0.015 . 1 . . . . . . . . 6275 1 441 . 1 1 44 44 ALA HA H 1 5.05 0.015 . 1 . . . . . . . . 6275 1 442 . 1 1 44 44 ALA HB1 H 1 1.08 0.02 . 1 . . . . . . . . 6275 1 443 . 1 1 44 44 ALA HB2 H 1 1.08 0.02 . 1 . . . . . . . . 6275 1 444 . 1 1 44 44 ALA HB3 H 1 1.08 0.02 . 1 . . . . . . . . 6275 1 445 . 1 1 44 44 ALA C C 13 176.1 0.08 . 1 . . . . . . . . 6275 1 446 . 1 1 44 44 ALA CA C 13 50.3 0.31 . 1 . . . . . . . . 6275 1 447 . 1 1 44 44 ALA CB C 13 22.9 0.31 . 1 . . . . . . . . 6275 1 448 . 1 1 44 44 ALA N N 15 122.2 0.14 . 1 . . . . . . . . 6275 1 449 . 1 1 45 45 PHE H H 1 8.87 0.015 . 1 . . . . . . . . 6275 1 450 . 1 1 45 45 PHE HA H 1 4.79 0.015 . 1 . . . . . . . . 6275 1 451 . 1 1 45 45 PHE HB2 H 1 3.38 0.02 . 1 . . . . . . . . 6275 1 452 . 1 1 45 45 PHE HB3 H 1 2.71 0.02 . 1 . . . . . . . . 6275 1 453 . 1 1 45 45 PHE HD1 H 1 6.78 0.02 . 1 . . . . . . . . 6275 1 454 . 1 1 45 45 PHE HD2 H 1 6.78 0.02 . 1 . . . . . . . . 6275 1 455 . 1 1 45 45 PHE HE1 H 1 7.06 0.02 . 1 . . . . . . . . 6275 1 456 . 1 1 45 45 PHE HE2 H 1 7.06 0.02 . 1 . . . . . . . . 6275 1 457 . 1 1 45 45 PHE C C 13 175.4 0.08 . 1 . . . . . . . . 6275 1 458 . 1 1 45 45 PHE CA C 13 57.7 0.31 . 1 . . . . . . . . 6275 1 459 . 1 1 45 45 PHE CB C 13 43.5 0.31 . 1 . . . . . . . . 6275 1 460 . 1 1 45 45 PHE CD1 C 13 131.3 0.31 . 1 . . . . . . . . 6275 1 461 . 1 1 45 45 PHE CD2 C 13 131.3 0.31 . 1 . . . . . . . . 6275 1 462 . 1 1 45 45 PHE CE1 C 13 132.9 0.31 . 1 . . . . . . . . 6275 1 463 . 1 1 45 45 PHE CE2 C 13 132.9 0.31 . 1 . . . . . . . . 6275 1 464 . 1 1 45 45 PHE N N 15 117.2 0.14 . 1 . . . . . . . . 6275 1 465 . 1 1 46 46 LEU H H 1 9.21 0.015 . 1 . . . . . . . . 6275 1 466 . 1 1 46 46 LEU HA H 1 4.45 0.015 . 1 . . . . . . . . 6275 1 467 . 1 1 46 46 LEU HB2 H 1 1.77 0.02 . 1 . . . . . . . . 6275 1 468 . 1 1 46 46 LEU HB3 H 1 1.66 0.02 . 1 . . . . . . . . 6275 1 469 . 1 1 46 46 LEU HG H 1 1.56 0.02 . 1 . . . . . . . . 6275 1 470 . 1 1 46 46 LEU HD11 H 1 0.86 0.02 . 1 . . . . . . . . 6275 1 471 . 1 1 46 46 LEU HD12 H 1 0.86 0.02 . 1 . . . . . . . . 6275 1 472 . 1 1 46 46 LEU HD13 H 1 0.86 0.02 . 1 . . . . . . . . 6275 1 473 . 1 1 46 46 LEU HD21 H 1 0.56 0.02 . 1 . . . . . . . . 6275 1 474 . 1 1 46 46 LEU HD22 H 1 0.56 0.02 . 1 . . . . . . . . 6275 1 475 . 1 1 46 46 LEU HD23 H 1 0.56 0.02 . 1 . . . . . . . . 6275 1 476 . 1 1 46 46 LEU C C 13 178.0 0.08 . 1 . . . . . . . . 6275 1 477 . 1 1 46 46 LEU CA C 13 56.5 0.31 . 1 . . . . . . . . 6275 1 478 . 1 1 46 46 LEU CB C 13 43.8 0.31 . 1 . . . . . . . . 6275 1 479 . 1 1 46 46 LEU CG C 13 27.5 0.31 . 1 . . . . . . . . 6275 1 480 . 1 1 46 46 LEU CD1 C 13 23.4 0.31 . 1 . . . . . . . . 6275 1 481 . 1 1 46 46 LEU CD2 C 13 23.7 0.31 . 1 . . . . . . . . 6275 1 482 . 1 1 46 46 LEU N N 15 119.5 0.14 . 1 . . . . . . . . 6275 1 483 . 1 1 47 47 THR H H 1 7.20 0.015 . 1 . . . . . . . . 6275 1 484 . 1 1 47 47 THR HA H 1 4.49 0.015 . 1 . . . . . . . . 6275 1 485 . 1 1 47 47 THR HB H 1 4.37 0.02 . 1 . . . . . . . . 6275 1 486 . 1 1 47 47 THR HG21 H 1 1.19 0.02 . 1 . . . . . . . . 6275 1 487 . 1 1 47 47 THR HG22 H 1 1.19 0.02 . 1 . . . . . . . . 6275 1 488 . 1 1 47 47 THR HG23 H 1 1.19 0.02 . 1 . . . . . . . . 6275 1 489 . 1 1 47 47 THR C C 13 173.4 0.08 . 1 . . . . . . . . 6275 1 490 . 1 1 47 47 THR CA C 13 58.4 0.31 . 1 . . . . . . . . 6275 1 491 . 1 1 47 47 THR CB C 13 73.2 0.31 . 1 . . . . . . . . 6275 1 492 . 1 1 47 47 THR CG2 C 13 21.5 0.31 . 1 . . . . . . . . 6275 1 493 . 1 1 47 47 THR N N 15 103.4 0.14 . 1 . . . . . . . . 6275 1 494 . 1 1 48 48 SER H H 1 7.97 0.015 . 1 . . . . . . . . 6275 1 495 . 1 1 48 48 SER HA H 1 4.69 0.015 . 1 . . . . . . . . 6275 1 496 . 1 1 48 48 SER HB2 H 1 3.81 0.02 . 1 . . . . . . . . 6275 1 497 . 1 1 48 48 SER HB3 H 1 3.81 0.02 . 1 . . . . . . . . 6275 1 498 . 1 1 48 48 SER C C 13 177.2 0.08 . 1 . . . . . . . . 6275 1 499 . 1 1 48 48 SER CA C 13 60.1 0.31 . 1 . . . . . . . . 6275 1 500 . 1 1 48 48 SER CB C 13 62.0 0.31 . 1 . . . . . . . . 6275 1 501 . 1 1 48 48 SER N N 15 116.4 0.14 . 1 . . . . . . . . 6275 1 502 . 1 1 49 49 TYR H H 1 7.76 0.015 . 1 . . . . . . . . 6275 1 503 . 1 1 49 49 TYR HA H 1 4.01 0.015 . 1 . . . . . . . . 6275 1 504 . 1 1 49 49 TYR HB2 H 1 3.05 0.02 . 1 . . . . . . . . 6275 1 505 . 1 1 49 49 TYR HB3 H 1 2.86 0.02 . 1 . . . . . . . . 6275 1 506 . 1 1 49 49 TYR HD1 H 1 6.99 0.02 . 1 . . . . . . . . 6275 1 507 . 1 1 49 49 TYR HD2 H 1 6.99 0.02 . 1 . . . . . . . . 6275 1 508 . 1 1 49 49 TYR HE1 H 1 6.72 0.02 . 1 . . . . . . . . 6275 1 509 . 1 1 49 49 TYR HE2 H 1 6.72 0.02 . 1 . . . . . . . . 6275 1 510 . 1 1 49 49 TYR C C 13 178.1 0.08 . 1 . . . . . . . . 6275 1 511 . 1 1 49 49 TYR CA C 13 61.1 0.31 . 1 . . . . . . . . 6275 1 512 . 1 1 49 49 TYR CB C 13 37.7 0.31 . 1 . . . . . . . . 6275 1 513 . 1 1 49 49 TYR CD1 C 13 133.2 0.31 . 1 . . . . . . . . 6275 1 514 . 1 1 49 49 TYR CD2 C 13 133.2 0.31 . 1 . . . . . . . . 6275 1 515 . 1 1 49 49 TYR CE1 C 13 118.2 0.31 . 1 . . . . . . . . 6275 1 516 . 1 1 49 49 TYR CE2 C 13 118.2 0.31 . 1 . . . . . . . . 6275 1 517 . 1 1 49 49 TYR N N 15 121.9 0.14 . 1 . . . . . . . . 6275 1 518 . 1 1 50 50 SER H H 1 7.85 0.015 . 1 . . . . . . . . 6275 1 519 . 1 1 50 50 SER HA H 1 3.96 0.015 . 1 . . . . . . . . 6275 1 520 . 1 1 50 50 SER HB2 H 1 3.70 0.02 . 2 . . . . . . . . 6275 1 521 . 1 1 50 50 SER HB3 H 1 3.65 0.02 . 2 . . . . . . . . 6275 1 522 . 1 1 50 50 SER C C 13 176.8 0.08 . 1 . . . . . . . . 6275 1 523 . 1 1 50 50 SER CA C 13 61.7 0.31 . 1 . . . . . . . . 6275 1 524 . 1 1 50 50 SER CB C 13 62.0 0.31 . 1 . . . . . . . . 6275 1 525 . 1 1 50 50 SER N N 15 116.8 0.14 . 1 . . . . . . . . 6275 1 526 . 1 1 51 51 LEU H H 1 7.07 0.015 . 1 . . . . . . . . 6275 1 527 . 1 1 51 51 LEU HA H 1 3.20 0.015 . 1 . . . . . . . . 6275 1 528 . 1 1 51 51 LEU HB2 H 1 1.87 0.02 . 1 . . . . . . . . 6275 1 529 . 1 1 51 51 LEU HB3 H 1 1.32 0.02 . 1 . . . . . . . . 6275 1 530 . 1 1 51 51 LEU HG H 1 1.52 0.02 . 1 . . . . . . . . 6275 1 531 . 1 1 51 51 LEU HD11 H 1 0.94 0.02 . 1 . . . . . . . . 6275 1 532 . 1 1 51 51 LEU HD12 H 1 0.94 0.02 . 1 . . . . . . . . 6275 1 533 . 1 1 51 51 LEU HD13 H 1 0.94 0.02 . 1 . . . . . . . . 6275 1 534 . 1 1 51 51 LEU HD21 H 1 0.94 0.02 . 1 . . . . . . . . 6275 1 535 . 1 1 51 51 LEU HD22 H 1 0.94 0.02 . 1 . . . . . . . . 6275 1 536 . 1 1 51 51 LEU HD23 H 1 0.94 0.02 . 1 . . . . . . . . 6275 1 537 . 1 1 51 51 LEU C C 13 176.6 0.08 . 1 . . . . . . . . 6275 1 538 . 1 1 51 51 LEU CA C 13 57.9 0.31 . 1 . . . . . . . . 6275 1 539 . 1 1 51 51 LEU CB C 13 40.8 0.31 . 1 . . . . . . . . 6275 1 540 . 1 1 51 51 LEU CG C 13 27.8 0.31 . 1 . . . . . . . . 6275 1 541 . 1 1 51 51 LEU CD1 C 13 23.1 0.31 . 1 . . . . . . . . 6275 1 542 . 1 1 51 51 LEU CD2 C 13 23.1 0.31 . 1 . . . . . . . . 6275 1 543 . 1 1 51 51 LEU N N 15 123.3 0.14 . 1 . . . . . . . . 6275 1 544 . 1 1 52 52 ARG H H 1 7.98 0.015 . 1 . . . . . . . . 6275 1 545 . 1 1 52 52 ARG HA H 1 3.81 0.015 . 1 . . . . . . . . 6275 1 546 . 1 1 52 52 ARG HB2 H 1 1.86 0.02 . 1 . . . . . . . . 6275 1 547 . 1 1 52 52 ARG HB3 H 1 1.79 0.02 . 1 . . . . . . . . 6275 1 548 . 1 1 52 52 ARG HG2 H 1 1.45 0.02 . 1 . . . . . . . . 6275 1 549 . 1 1 52 52 ARG HG3 H 1 1.45 0.02 . 1 . . . . . . . . 6275 1 550 . 1 1 52 52 ARG HD2 H 1 3.07 0.02 . 1 . . . . . . . . 6275 1 551 . 1 1 52 52 ARG HD3 H 1 3.07 0.02 . 1 . . . . . . . . 6275 1 552 . 1 1 52 52 ARG C C 13 178.9 0.08 . 1 . . . . . . . . 6275 1 553 . 1 1 52 52 ARG CA C 13 59.4 0.31 . 1 . . . . . . . . 6275 1 554 . 1 1 52 52 ARG CB C 13 29.6 0.31 . 1 . . . . . . . . 6275 1 555 . 1 1 52 52 ARG CG C 13 27.4 0.31 . 1 . . . . . . . . 6275 1 556 . 1 1 52 52 ARG CD C 13 43.7 0.31 . 1 . . . . . . . . 6275 1 557 . 1 1 52 52 ARG N N 15 118.6 0.14 . 1 . . . . . . . . 6275 1 558 . 1 1 53 53 ILE H H 1 7.40 0.015 . 1 . . . . . . . . 6275 1 559 . 1 1 53 53 ILE HA H 1 3.54 0.015 . 1 . . . . . . . . 6275 1 560 . 1 1 53 53 ILE HB H 1 1.65 0.02 . 1 . . . . . . . . 6275 1 561 . 1 1 53 53 ILE HG12 H 1 1.13 0.02 . 1 . . . . . . . . 6275 1 562 . 1 1 53 53 ILE HG13 H 1 0.92 0.02 . 1 . . . . . . . . 6275 1 563 . 1 1 53 53 ILE HG21 H 1 0.72 0.02 . 1 . . . . . . . . 6275 1 564 . 1 1 53 53 ILE HG22 H 1 0.72 0.02 . 1 . . . . . . . . 6275 1 565 . 1 1 53 53 ILE HG23 H 1 0.72 0.02 . 1 . . . . . . . . 6275 1 566 . 1 1 53 53 ILE HD11 H 1 0.50 0.02 . 1 . . . . . . . . 6275 1 567 . 1 1 53 53 ILE HD12 H 1 0.50 0.02 . 1 . . . . . . . . 6275 1 568 . 1 1 53 53 ILE HD13 H 1 0.50 0.02 . 1 . . . . . . . . 6275 1 569 . 1 1 53 53 ILE C C 13 178.4 0.08 . 1 . . . . . . . . 6275 1 570 . 1 1 53 53 ILE CA C 13 63.2 0.31 . 1 . . . . . . . . 6275 1 571 . 1 1 53 53 ILE CB C 13 37.2 0.31 . 1 . . . . . . . . 6275 1 572 . 1 1 53 53 ILE CG1 C 13 27.8 0.31 . 1 . . . . . . . . 6275 1 573 . 1 1 53 53 ILE CG2 C 13 17.4 0.31 . 1 . . . . . . . . 6275 1 574 . 1 1 53 53 ILE CD1 C 13 11.2 0.31 . 1 . . . . . . . . 6275 1 575 . 1 1 53 53 ILE N N 15 117.2 0.14 . 1 . . . . . . . . 6275 1 576 . 1 1 54 54 HIS H H 1 7.34 0.015 . 1 . . . . . . . . 6275 1 577 . 1 1 54 54 HIS HA H 1 4.14 0.015 . 1 . . . . . . . . 6275 1 578 . 1 1 54 54 HIS HB2 H 1 2.99 0.02 . 1 . . . . . . . . 6275 1 579 . 1 1 54 54 HIS HB3 H 1 2.68 0.02 . 1 . . . . . . . . 6275 1 580 . 1 1 54 54 HIS HE1 H 1 7.88 0.02 . 1 . . . . . . . . 6275 1 581 . 1 1 54 54 HIS C C 13 176.8 0.08 . 1 . . . . . . . . 6275 1 582 . 1 1 54 54 HIS CA C 13 59.3 0.31 . 1 . . . . . . . . 6275 1 583 . 1 1 54 54 HIS CB C 13 28.5 0.31 . 1 . . . . . . . . 6275 1 584 . 1 1 54 54 HIS CE1 C 13 139.7 0.31 . 1 . . . . . . . . 6275 1 585 . 1 1 54 54 HIS N N 15 120.2 0.14 . 1 . . . . . . . . 6275 1 586 . 1 1 55 55 VAL H H 1 8.21 0.015 . 1 . . . . . . . . 6275 1 587 . 1 1 55 55 VAL HA H 1 3.43 0.015 . 1 . . . . . . . . 6275 1 588 . 1 1 55 55 VAL HB H 1 2.29 0.02 . 1 . . . . . . . . 6275 1 589 . 1 1 55 55 VAL HG11 H 1 1.23 0.02 . 1 . . . . . . . . 6275 1 590 . 1 1 55 55 VAL HG12 H 1 1.23 0.02 . 1 . . . . . . . . 6275 1 591 . 1 1 55 55 VAL HG13 H 1 1.23 0.02 . 1 . . . . . . . . 6275 1 592 . 1 1 55 55 VAL HG21 H 1 1.17 0.02 . 1 . . . . . . . . 6275 1 593 . 1 1 55 55 VAL HG22 H 1 1.17 0.02 . 1 . . . . . . . . 6275 1 594 . 1 1 55 55 VAL HG23 H 1 1.17 0.02 . 1 . . . . . . . . 6275 1 595 . 1 1 55 55 VAL C C 13 177.4 0.08 . 1 . . . . . . . . 6275 1 596 . 1 1 55 55 VAL CA C 13 65.9 0.31 . 1 . . . . . . . . 6275 1 597 . 1 1 55 55 VAL CB C 13 31.6 0.31 . 1 . . . . . . . . 6275 1 598 . 1 1 55 55 VAL CG1 C 13 22.1 0.31 . 1 . . . . . . . . 6275 1 599 . 1 1 55 55 VAL CG2 C 13 22.1 0.31 . 1 . . . . . . . . 6275 1 600 . 1 1 55 55 VAL N N 15 113.2 0.14 . 1 . . . . . . . . 6275 1 601 . 1 1 56 56 ARG H H 1 6.94 0.015 . 1 . . . . . . . . 6275 1 602 . 1 1 56 56 ARG HA H 1 4.02 0.015 . 1 . . . . . . . . 6275 1 603 . 1 1 56 56 ARG HB2 H 1 1.77 0.02 . 1 . . . . . . . . 6275 1 604 . 1 1 56 56 ARG HB3 H 1 1.77 0.02 . 1 . . . . . . . . 6275 1 605 . 1 1 56 56 ARG HG2 H 1 1.60 0.02 . 1 . . . . . . . . 6275 1 606 . 1 1 56 56 ARG HG3 H 1 1.60 0.02 . 1 . . . . . . . . 6275 1 607 . 1 1 56 56 ARG HD2 H 1 3.14 0.02 . 1 . . . . . . . . 6275 1 608 . 1 1 56 56 ARG HD3 H 1 3.14 0.02 . 1 . . . . . . . . 6275 1 609 . 1 1 56 56 ARG C C 13 178.5 0.08 . 1 . . . . . . . . 6275 1 610 . 1 1 56 56 ARG CA C 13 58.3 0.31 . 1 . . . . . . . . 6275 1 611 . 1 1 56 56 ARG CB C 13 30.1 0.31 . 1 . . . . . . . . 6275 1 612 . 1 1 56 56 ARG CG C 13 27.5 0.31 . 1 . . . . . . . . 6275 1 613 . 1 1 56 56 ARG CD C 13 43.7 0.31 . 1 . . . . . . . . 6275 1 614 . 1 1 56 56 ARG N N 15 119.0 0.14 . 1 . . . . . . . . 6275 1 615 . 1 1 57 57 VAL H H 1 7.96 0.015 . 1 . . . . . . . . 6275 1 616 . 1 1 57 57 VAL HA H 1 3.83 0.015 . 1 . . . . . . . . 6275 1 617 . 1 1 57 57 VAL HB H 1 1.93 0.02 . 1 . . . . . . . . 6275 1 618 . 1 1 57 57 VAL HG11 H 1 0.61 0.02 . 1 . . . . . . . . 6275 1 619 . 1 1 57 57 VAL HG12 H 1 0.61 0.02 . 1 . . . . . . . . 6275 1 620 . 1 1 57 57 VAL HG13 H 1 0.61 0.02 . 1 . . . . . . . . 6275 1 621 . 1 1 57 57 VAL HG21 H 1 0.46 0.02 . 1 . . . . . . . . 6275 1 622 . 1 1 57 57 VAL HG22 H 1 0.46 0.02 . 1 . . . . . . . . 6275 1 623 . 1 1 57 57 VAL HG23 H 1 0.46 0.02 . 1 . . . . . . . . 6275 1 624 . 1 1 57 57 VAL C C 13 177.3 0.08 . 1 . . . . . . . . 6275 1 625 . 1 1 57 57 VAL CA C 13 64.0 0.31 . 1 . . . . . . . . 6275 1 626 . 1 1 57 57 VAL CB C 13 31.1 0.31 . 1 . . . . . . . . 6275 1 627 . 1 1 57 57 VAL CG1 C 13 20.0 0.31 . 1 . . . . . . . . 6275 1 628 . 1 1 57 57 VAL CG2 C 13 19.9 0.31 . 1 . . . . . . . . 6275 1 629 . 1 1 57 57 VAL N N 15 116.1 0.14 . 1 . . . . . . . . 6275 1 630 . 1 1 58 58 HIS H H 1 7.27 0.015 . 1 . . . . . . . . 6275 1 631 . 1 1 58 58 HIS HA H 1 4.72 0.015 . 1 . . . . . . . . 6275 1 632 . 1 1 58 58 HIS HB2 H 1 3.22 0.02 . 1 . . . . . . . . 6275 1 633 . 1 1 58 58 HIS HB3 H 1 3.19 0.02 . 1 . . . . . . . . 6275 1 634 . 1 1 58 58 HIS HD2 H 1 6.64 0.02 . 1 . . . . . . . . 6275 1 635 . 1 1 58 58 HIS HE1 H 1 8.03 0.02 . 1 . . . . . . . . 6275 1 636 . 1 1 58 58 HIS C C 13 175.6 0.08 . 1 . . . . . . . . 6275 1 637 . 1 1 58 58 HIS CA C 13 55.3 0.31 . 1 . . . . . . . . 6275 1 638 . 1 1 58 58 HIS CB C 13 28.5 0.31 . 1 . . . . . . . . 6275 1 639 . 1 1 58 58 HIS CD2 C 13 128.2 0.31 . 1 . . . . . . . . 6275 1 640 . 1 1 58 58 HIS CE1 C 13 140.1 0.31 . 1 . . . . . . . . 6275 1 641 . 1 1 58 58 HIS N N 15 116.9 0.14 . 1 . . . . . . . . 6275 1 642 . 1 1 59 59 THR H H 1 7.65 0.015 . 1 . . . . . . . . 6275 1 643 . 1 1 59 59 THR HA H 1 4.28 0.015 . 1 . . . . . . . . 6275 1 644 . 1 1 59 59 THR HB H 1 4.14 0.02 . 1 . . . . . . . . 6275 1 645 . 1 1 59 59 THR HG21 H 1 1.16 0.02 . 1 . . . . . . . . 6275 1 646 . 1 1 59 59 THR HG22 H 1 1.16 0.02 . 1 . . . . . . . . 6275 1 647 . 1 1 59 59 THR HG23 H 1 1.16 0.02 . 1 . . . . . . . . 6275 1 648 . 1 1 59 59 THR C C 13 174.4 0.08 . 1 . . . . . . . . 6275 1 649 . 1 1 59 59 THR CA C 13 62.4 0.31 . 1 . . . . . . . . 6275 1 650 . 1 1 59 59 THR CB C 13 69.5 0.31 . 1 . . . . . . . . 6275 1 651 . 1 1 59 59 THR CG2 C 13 21.8 0.31 . 1 . . . . . . . . 6275 1 652 . 1 1 59 59 THR N N 15 113.2 0.14 . 1 . . . . . . . . 6275 1 653 . 1 1 60 60 LYS H H 1 8.01 0.015 . 1 . . . . . . . . 6275 1 654 . 1 1 60 60 LYS HA H 1 4.22 0.015 . 1 . . . . . . . . 6275 1 655 . 1 1 60 60 LYS HB2 H 1 1.79 0.02 . 1 . . . . . . . . 6275 1 656 . 1 1 60 60 LYS HB3 H 1 1.72 0.02 . 1 . . . . . . . . 6275 1 657 . 1 1 60 60 LYS HG2 H 1 1.39 0.02 . 1 . . . . . . . . 6275 1 658 . 1 1 60 60 LYS HG3 H 1 1.35 0.02 . 1 . . . . . . . . 6275 1 659 . 1 1 60 60 LYS HD2 H 1 1.62 0.02 . 1 . . . . . . . . 6275 1 660 . 1 1 60 60 LYS HD3 H 1 1.62 0.02 . 1 . . . . . . . . 6275 1 661 . 1 1 60 60 LYS HE2 H 1 2.93 0.02 . 1 . . . . . . . . 6275 1 662 . 1 1 60 60 LYS HE3 H 1 2.93 0.02 . 1 . . . . . . . . 6275 1 663 . 1 1 60 60 LYS C C 13 176.4 0.08 . 1 . . . . . . . . 6275 1 664 . 1 1 60 60 LYS CA C 13 56.6 0.31 . 1 . . . . . . . . 6275 1 665 . 1 1 60 60 LYS CB C 13 32.8 0.31 . 1 . . . . . . . . 6275 1 666 . 1 1 60 60 LYS CG C 13 25.2 0.31 . 1 . . . . . . . . 6275 1 667 . 1 1 60 60 LYS CD C 13 29.0 0.31 . 1 . . . . . . . . 6275 1 668 . 1 1 60 60 LYS CE C 13 42.0 0.31 . 1 . . . . . . . . 6275 1 669 . 1 1 60 60 LYS N N 15 122.5 0.14 . 1 . . . . . . . . 6275 1 670 . 1 1 61 61 GLU H H 1 8.15 0.015 . 5 . . . . . . . . 6275 1 671 . 1 1 61 61 GLU HA H 1 4.22 0.015 . 5 . . . . . . . . 6275 1 672 . 1 1 61 61 GLU HB2 H 1 1.92 0.02 . 1 . . . . . . . . 6275 1 673 . 1 1 61 61 GLU HB3 H 1 1.92 0.02 . 1 . . . . . . . . 6275 1 674 . 1 1 61 61 GLU HG2 H 1 2.21 0.02 . 1 . . . . . . . . 6275 1 675 . 1 1 61 61 GLU HG3 H 1 2.21 0.02 . 1 . . . . . . . . 6275 1 676 . 1 1 61 61 GLU C C 13 176.4 0.08 . 5 . . . . . . . . 6275 1 677 . 1 1 61 61 GLU CA C 13 56.9 0.31 . 5 . . . . . . . . 6275 1 678 . 1 1 61 61 GLU CB C 13 30.5 0.31 . 5 . . . . . . . . 6275 1 679 . 1 1 61 61 GLU CG C 13 36.5 0.31 . 1 . . . . . . . . 6275 1 680 . 1 1 61 61 GLU N N 15 120.9 0.14 . 5 . . . . . . . . 6275 1 681 . 1 1 62 62 LYS H H 1 8.17 0.015 . 5 . . . . . . . . 6275 1 682 . 1 1 62 62 LYS HA H 1 4.52 0.015 . 5 . . . . . . . . 6275 1 683 . 1 1 62 62 LYS HB2 H 1 1.81 0.02 . 1 . . . . . . . . 6275 1 684 . 1 1 62 62 LYS HB3 H 1 1.68 0.02 . 1 . . . . . . . . 6275 1 685 . 1 1 62 62 LYS HG2 H 1 1.42 0.02 . 1 . . . . . . . . 6275 1 686 . 1 1 62 62 LYS HG3 H 1 1.42 0.02 . 1 . . . . . . . . 6275 1 687 . 1 1 62 62 LYS HD2 H 1 1.61 0.02 . 1 . . . . . . . . 6275 1 688 . 1 1 62 62 LYS HD3 H 1 1.61 0.02 . 1 . . . . . . . . 6275 1 689 . 1 1 62 62 LYS HE2 H 1 2.92 0.02 . 1 . . . . . . . . 6275 1 690 . 1 1 62 62 LYS HE3 H 1 2.92 0.02 . 1 . . . . . . . . 6275 1 691 . 1 1 62 62 LYS C C 13 176.2 0.08 . 5 . . . . . . . . 6275 1 692 . 1 1 62 62 LYS CA C 13 53.6 0.31 . 5 . . . . . . . . 6275 1 693 . 1 1 62 62 LYS CB C 13 30.5 0.31 . 5 . . . . . . . . 6275 1 694 . 1 1 62 62 LYS CG C 13 24.9 0.31 . 1 . . . . . . . . 6275 1 695 . 1 1 62 62 LYS CD C 13 29.0 0.31 . 1 . . . . . . . . 6275 1 696 . 1 1 62 62 LYS CE C 13 42.0 0.31 . 1 . . . . . . . . 6275 1 697 . 1 1 62 62 LYS N N 15 120.9 0.14 . 5 . . . . . . . . 6275 1 698 . 1 1 63 63 PRO C C 13 176.2 0.08 . 1 . . . . . . . . 6275 1 699 . 1 1 63 63 PRO CA C 13 63.3 0.31 . 1 . . . . . . . . 6275 1 700 . 1 1 63 63 PRO CB C 13 32.5 0.31 . 1 . . . . . . . . 6275 1 701 . 1 1 64 64 PHE H H 1 8.04 0.015 . 1 . . . . . . . . 6275 1 702 . 1 1 64 64 PHE HA H 1 4.58 0.015 . 1 . . . . . . . . 6275 1 703 . 1 1 64 64 PHE HB2 H 1 2.95 0.02 . 1 . . . . . . . . 6275 1 704 . 1 1 64 64 PHE HB3 H 1 2.88 0.02 . 1 . . . . . . . . 6275 1 705 . 1 1 64 64 PHE HD1 H 1 7.07 0.02 . 1 . . . . . . . . 6275 1 706 . 1 1 64 64 PHE HD2 H 1 7.07 0.02 . 1 . . . . . . . . 6275 1 707 . 1 1 64 64 PHE HE1 H 1 7.20 0.02 . 1 . . . . . . . . 6275 1 708 . 1 1 64 64 PHE HE2 H 1 7.20 0.02 . 1 . . . . . . . . 6275 1 709 . 1 1 64 64 PHE C C 13 174.8 0.08 . 1 . . . . . . . . 6275 1 710 . 1 1 64 64 PHE CA C 13 57.3 0.31 . 1 . . . . . . . . 6275 1 711 . 1 1 64 64 PHE CB C 13 38.8 0.31 . 1 . . . . . . . . 6275 1 712 . 1 1 64 64 PHE CD1 C 13 127.2 0.31 . 1 . . . . . . . . 6275 1 713 . 1 1 64 64 PHE CD2 C 13 127.2 0.31 . 1 . . . . . . . . 6275 1 714 . 1 1 64 64 PHE CE1 C 13 121.3 0.31 . 1 . . . . . . . . 6275 1 715 . 1 1 64 64 PHE CE2 C 13 121.3 0.31 . 1 . . . . . . . . 6275 1 716 . 1 1 64 64 PHE N N 15 118.5 0.14 . 1 . . . . . . . . 6275 1 717 . 1 1 65 65 GLU H H 1 8.44 0.015 . 1 . . . . . . . . 6275 1 718 . 1 1 65 65 GLU HA H 1 4.58 0.015 . 1 . . . . . . . . 6275 1 719 . 1 1 65 65 GLU HB2 H 1 1.97 0.02 . 1 . . . . . . . . 6275 1 720 . 1 1 65 65 GLU HB3 H 1 1.85 0.02 . 1 . . . . . . . . 6275 1 721 . 1 1 65 65 GLU HG2 H 1 2.08 0.02 . 1 . . . . . . . . 6275 1 722 . 1 1 65 65 GLU HG3 H 1 2.08 0.02 . 1 . . . . . . . . 6275 1 723 . 1 1 65 65 GLU C C 13 175.2 0.08 . 1 . . . . . . . . 6275 1 724 . 1 1 65 65 GLU CA C 13 55.4 0.31 . 1 . . . . . . . . 6275 1 725 . 1 1 65 65 GLU CB C 13 31.8 0.31 . 1 . . . . . . . . 6275 1 726 . 1 1 65 65 GLU CG C 13 36.8 0.31 . 1 . . . . . . . . 6275 1 727 . 1 1 65 65 GLU N N 15 124.7 0.14 . 1 . . . . . . . . 6275 1 728 . 1 1 66 66 CYS H H 1 8.64 0.015 . 1 . . . . . . . . 6275 1 729 . 1 1 66 66 CYS HA H 1 4.22 0.015 . 1 . . . . . . . . 6275 1 730 . 1 1 66 66 CYS HB2 H 1 3.18 0.02 . 1 . . . . . . . . 6275 1 731 . 1 1 66 66 CYS HB3 H 1 2.78 0.02 . 1 . . . . . . . . 6275 1 732 . 1 1 66 66 CYS C C 13 175.2 0.08 . 1 . . . . . . . . 6275 1 733 . 1 1 66 66 CYS CA C 13 61.7 0.31 . 1 . . . . . . . . 6275 1 734 . 1 1 66 66 CYS CB C 13 29.8 0.31 . 1 . . . . . . . . 6275 1 735 . 1 1 66 66 CYS N N 15 125.7 0.14 . 1 . . . . . . . . 6275 1 736 . 1 1 67 67 ASP H H 1 8.36 0.015 . 1 . . . . . . . . 6275 1 737 . 1 1 67 67 ASP HA H 1 4.63 0.015 . 1 . . . . . . . . 6275 1 738 . 1 1 67 67 ASP HB2 H 1 2.78 0.02 . 1 . . . . . . . . 6275 1 739 . 1 1 67 67 ASP HB3 H 1 2.63 0.02 . 1 . . . . . . . . 6275 1 740 . 1 1 67 67 ASP C C 13 176.4 0.08 . 1 . . . . . . . . 6275 1 741 . 1 1 67 67 ASP CA C 13 53.7 0.31 . 1 . . . . . . . . 6275 1 742 . 1 1 67 67 ASP CB C 13 40.6 0.31 . 1 . . . . . . . . 6275 1 743 . 1 1 67 67 ASP N N 15 127.2 0.14 . 1 . . . . . . . . 6275 1 744 . 1 1 68 68 VAL H H 1 8.51 0.015 . 1 . . . . . . . . 6275 1 745 . 1 1 68 68 VAL HA H 1 3.63 0.015 . 1 . . . . . . . . 6275 1 746 . 1 1 68 68 VAL HB H 1 1.61 0.02 . 1 . . . . . . . . 6275 1 747 . 1 1 68 68 VAL HG11 H 1 0.47 0.02 . 1 . . . . . . . . 6275 1 748 . 1 1 68 68 VAL HG12 H 1 0.47 0.02 . 1 . . . . . . . . 6275 1 749 . 1 1 68 68 VAL HG13 H 1 0.47 0.02 . 1 . . . . . . . . 6275 1 750 . 1 1 68 68 VAL HG21 H 1 0.47 0.02 . 1 . . . . . . . . 6275 1 751 . 1 1 68 68 VAL HG22 H 1 0.47 0.02 . 1 . . . . . . . . 6275 1 752 . 1 1 68 68 VAL HG23 H 1 0.47 0.02 . 1 . . . . . . . . 6275 1 753 . 1 1 68 68 VAL C C 13 176.7 0.08 . 1 . . . . . . . . 6275 1 754 . 1 1 68 68 VAL CA C 13 64.1 0.31 . 1 . . . . . . . . 6275 1 755 . 1 1 68 68 VAL CB C 13 31.5 0.31 . 1 . . . . . . . . 6275 1 756 . 1 1 68 68 VAL CG1 C 13 20.9 0.31 . 1 . . . . . . . . 6275 1 757 . 1 1 68 68 VAL CG2 C 13 20.9 0.31 . 1 . . . . . . . . 6275 1 758 . 1 1 68 68 VAL N N 15 125.7 0.14 . 1 . . . . . . . . 6275 1 759 . 1 1 69 69 GLN H H 1 8.65 0.015 . 1 . . . . . . . . 6275 1 760 . 1 1 69 69 GLN HA H 1 3.95 0.015 . 1 . . . . . . . . 6275 1 761 . 1 1 69 69 GLN HB2 H 1 1.97 0.02 . 1 . . . . . . . . 6275 1 762 . 1 1 69 69 GLN HB3 H 1 1.90 0.02 . 1 . . . . . . . . 6275 1 763 . 1 1 69 69 GLN HG2 H 1 2.31 0.02 . 1 . . . . . . . . 6275 1 764 . 1 1 69 69 GLN HG3 H 1 2.21 0.02 . 1 . . . . . . . . 6275 1 765 . 1 1 69 69 GLN C C 13 176.9 0.08 . 1 . . . . . . . . 6275 1 766 . 1 1 69 69 GLN CA C 13 57.9 0.31 . 1 . . . . . . . . 6275 1 767 . 1 1 69 69 GLN CB C 13 28.1 0.31 . 1 . . . . . . . . 6275 1 768 . 1 1 69 69 GLN CG C 13 36.5 0.31 . 1 . . . . . . . . 6275 1 769 . 1 1 69 69 GLN N N 15 130.1 0.14 . 1 . . . . . . . . 6275 1 770 . 1 1 70 70 GLY H H 1 9.05 0.015 . 5 . . . . . . . . 6275 1 771 . 1 1 70 70 GLY HA2 H 1 3.66 0.02 . 1 . . . . . . . . 6275 1 772 . 1 1 70 70 GLY C C 13 173.3 0.08 . 5 . . . . . . . . 6275 1 773 . 1 1 70 70 GLY CA C 13 45.2 0.31 . 5 . . . . . . . . 6275 1 774 . 1 1 70 70 GLY N N 15 114.4 0.14 . 5 . . . . . . . . 6275 1 775 . 1 1 71 71 CYS H H 1 8.10 0.015 . 1 . . . . . . . . 6275 1 776 . 1 1 71 71 CYS HA H 1 4.43 0.015 . 1 . . . . . . . . 6275 1 777 . 1 1 71 71 CYS HB2 H 1 3.22 0.02 . 1 . . . . . . . . 6275 1 778 . 1 1 71 71 CYS HB3 H 1 2.65 0.02 . 1 . . . . . . . . 6275 1 779 . 1 1 71 71 CYS C C 13 175.3 0.08 . 1 . . . . . . . . 6275 1 780 . 1 1 71 71 CYS CA C 13 60.9 0.31 . 1 . . . . . . . . 6275 1 781 . 1 1 71 71 CYS CB C 13 29.6 0.31 . 1 . . . . . . . . 6275 1 782 . 1 1 71 71 CYS N N 15 124.1 0.14 . 1 . . . . . . . . 6275 1 783 . 1 1 72 72 GLU C C 13 176.0 0.08 . 1 . . . . . . . . 6275 1 784 . 1 1 72 72 GLU CA C 13 56.3 0.31 . 1 . . . . . . . . 6275 1 785 . 1 1 72 72 GLU CB C 13 28.8 0.31 . 1 . . . . . . . . 6275 1 786 . 1 1 73 73 LYS H H 1 7.91 0.015 . 1 . . . . . . . . 6275 1 787 . 1 1 73 73 LYS HA H 1 4.01 0.015 . 1 . . . . . . . . 6275 1 788 . 1 1 73 73 LYS HB2 H 1 1.40 0.02 . 1 . . . . . . . . 6275 1 789 . 1 1 73 73 LYS HB3 H 1 1.51 0.02 . 1 . . . . . . . . 6275 1 790 . 1 1 73 73 LYS HG2 H 1 1.39 0.02 . 1 . . . . . . . . 6275 1 791 . 1 1 73 73 LYS HG3 H 1 1.39 0.02 . 1 . . . . . . . . 6275 1 792 . 1 1 73 73 LYS HD2 H 1 1.47 0.02 . 1 . . . . . . . . 6275 1 793 . 1 1 73 73 LYS HD3 H 1 1.47 0.02 . 1 . . . . . . . . 6275 1 794 . 1 1 73 73 LYS HE2 H 1 2.96 0.02 . 1 . . . . . . . . 6275 1 795 . 1 1 73 73 LYS HE3 H 1 2.96 0.02 . 1 . . . . . . . . 6275 1 796 . 1 1 73 73 LYS C C 13 174.1 0.08 . 1 . . . . . . . . 6275 1 797 . 1 1 73 73 LYS CA C 13 56.7 0.31 . 1 . . . . . . . . 6275 1 798 . 1 1 73 73 LYS CB C 13 33.4 0.31 . 1 . . . . . . . . 6275 1 799 . 1 1 73 73 LYS CG C 13 25.2 0.31 . 1 . . . . . . . . 6275 1 800 . 1 1 73 73 LYS CD C 13 29.0 0.31 . 1 . . . . . . . . 6275 1 801 . 1 1 73 73 LYS CE C 13 42.0 0.31 . 1 . . . . . . . . 6275 1 802 . 1 1 73 73 LYS N N 15 121.2 0.14 . 1 . . . . . . . . 6275 1 803 . 1 1 74 74 ALA H H 1 7.42 0.015 . 1 . . . . . . . . 6275 1 804 . 1 1 74 74 ALA HA H 1 4.89 0.015 . 1 . . . . . . . . 6275 1 805 . 1 1 74 74 ALA HB1 H 1 1.17 0.02 . 1 . . . . . . . . 6275 1 806 . 1 1 74 74 ALA HB2 H 1 1.17 0.02 . 1 . . . . . . . . 6275 1 807 . 1 1 74 74 ALA HB3 H 1 1.17 0.02 . 1 . . . . . . . . 6275 1 808 . 1 1 74 74 ALA C C 13 175.5 0.08 . 1 . . . . . . . . 6275 1 809 . 1 1 74 74 ALA CA C 13 50.5 0.31 . 1 . . . . . . . . 6275 1 810 . 1 1 74 74 ALA CB C 13 23.1 0.31 . 1 . . . . . . . . 6275 1 811 . 1 1 74 74 ALA N N 15 121.9 0.14 . 1 . . . . . . . . 6275 1 812 . 1 1 75 75 PHE H H 1 8.59 0.015 . 1 . . . . . . . . 6275 1 813 . 1 1 75 75 PHE HA H 1 4.79 0.015 . 1 . . . . . . . . 6275 1 814 . 1 1 75 75 PHE HB2 H 1 3.46 0.02 . 1 . . . . . . . . 6275 1 815 . 1 1 75 75 PHE HB3 H 1 2.61 0.02 . 1 . . . . . . . . 6275 1 816 . 1 1 75 75 PHE HD1 H 1 6.80 0.02 . 1 . . . . . . . . 6275 1 817 . 1 1 75 75 PHE HD2 H 1 6.80 0.02 . 1 . . . . . . . . 6275 1 818 . 1 1 75 75 PHE HE1 H 1 7.07 0.02 . 1 . . . . . . . . 6275 1 819 . 1 1 75 75 PHE HE2 H 1 7.07 0.02 . 1 . . . . . . . . 6275 1 820 . 1 1 75 75 PHE C C 13 175.2 0.08 . 1 . . . . . . . . 6275 1 821 . 1 1 75 75 PHE CA C 13 57.0 0.31 . 1 . . . . . . . . 6275 1 822 . 1 1 75 75 PHE CB C 13 45.0 0.31 . 1 . . . . . . . . 6275 1 823 . 1 1 75 75 PHE CD1 C 13 131.0 0.31 . 1 . . . . . . . . 6275 1 824 . 1 1 75 75 PHE CD2 C 13 131.0 0.31 . 1 . . . . . . . . 6275 1 825 . 1 1 75 75 PHE CE1 C 13 132.2 0.31 . 1 . . . . . . . . 6275 1 826 . 1 1 75 75 PHE CE2 C 13 132.2 0.31 . 1 . . . . . . . . 6275 1 827 . 1 1 75 75 PHE N N 15 115.7 0.14 . 1 . . . . . . . . 6275 1 828 . 1 1 76 76 ASN C C 13 175.2 0.08 . 1 . . . . . . . . 6275 1 829 . 1 1 76 76 ASN CA C 13 54.3 0.31 . 1 . . . . . . . . 6275 1 830 . 1 1 76 76 ASN CB C 13 39.1 0.31 . 1 . . . . . . . . 6275 1 831 . 1 1 77 77 THR H H 1 7.22 0.015 . 1 . . . . . . . . 6275 1 832 . 1 1 77 77 THR HA H 1 4.53 0.015 . 1 . . . . . . . . 6275 1 833 . 1 1 77 77 THR HB H 1 4.37 0.02 . 1 . . . . . . . . 6275 1 834 . 1 1 77 77 THR HG21 H 1 1.19 0.02 . 1 . . . . . . . . 6275 1 835 . 1 1 77 77 THR HG22 H 1 1.19 0.02 . 1 . . . . . . . . 6275 1 836 . 1 1 77 77 THR HG23 H 1 1.19 0.02 . 1 . . . . . . . . 6275 1 837 . 1 1 77 77 THR C C 13 173.4 0.08 . 1 . . . . . . . . 6275 1 838 . 1 1 77 77 THR CA C 13 58.9 0.31 . 1 . . . . . . . . 6275 1 839 . 1 1 77 77 THR CB C 13 73.0 0.31 . 1 . . . . . . . . 6275 1 840 . 1 1 77 77 THR CG2 C 13 21.5 0.31 . 1 . . . . . . . . 6275 1 841 . 1 1 77 77 THR N N 15 106.2 0.14 . 1 . . . . . . . . 6275 1 842 . 1 1 78 78 LEU H H 1 8.03 0.015 . 1 . . . . . . . . 6275 1 843 . 1 1 78 78 LEU HA H 1 3.28 0.015 . 1 . . . . . . . . 6275 1 844 . 1 1 78 78 LEU HB2 H 1 1.29 0.02 . 1 . . . . . . . . 6275 1 845 . 1 1 78 78 LEU HB3 H 1 0.91 0.02 . 1 . . . . . . . . 6275 1 846 . 1 1 78 78 LEU HG H 1 1.13 0.02 . 1 . . . . . . . . 6275 1 847 . 1 1 78 78 LEU HD11 H 1 0.80 0.02 . 1 . . . . . . . . 6275 1 848 . 1 1 78 78 LEU HD12 H 1 0.80 0.02 . 1 . . . . . . . . 6275 1 849 . 1 1 78 78 LEU HD13 H 1 0.80 0.02 . 1 . . . . . . . . 6275 1 850 . 1 1 78 78 LEU HD21 H 1 0.80 0.02 . 1 . . . . . . . . 6275 1 851 . 1 1 78 78 LEU HD22 H 1 0.80 0.02 . 1 . . . . . . . . 6275 1 852 . 1 1 78 78 LEU HD23 H 1 0.80 0.02 . 1 . . . . . . . . 6275 1 853 . 1 1 78 78 LEU C C 13 178.5 0.08 . 1 . . . . . . . . 6275 1 854 . 1 1 78 78 LEU CA C 13 56.8 0.31 . 1 . . . . . . . . 6275 1 855 . 1 1 78 78 LEU CB C 13 41.2 0.31 . 1 . . . . . . . . 6275 1 856 . 1 1 78 78 LEU CG C 13 27.1 0.31 . 1 . . . . . . . . 6275 1 857 . 1 1 78 78 LEU CD1 C 13 25.3 0.31 . 1 . . . . . . . . 6275 1 858 . 1 1 78 78 LEU CD2 C 13 25.3 0.31 . 1 . . . . . . . . 6275 1 859 . 1 1 78 78 LEU N N 15 124.0 0.14 . 1 . . . . . . . . 6275 1 860 . 1 1 79 79 TYR H H 1 7.85 0.015 . 1 . . . . . . . . 6275 1 861 . 1 1 79 79 TYR HA H 1 3.96 0.015 . 1 . . . . . . . . 6275 1 862 . 1 1 79 79 TYR HB2 H 1 3.02 0.02 . 1 . . . . . . . . 6275 1 863 . 1 1 79 79 TYR HB3 H 1 2.85 0.02 . 1 . . . . . . . . 6275 1 864 . 1 1 79 79 TYR HD1 H 1 6.99 0.02 . 1 . . . . . . . . 6275 1 865 . 1 1 79 79 TYR HD2 H 1 6.99 0.02 . 1 . . . . . . . . 6275 1 866 . 1 1 79 79 TYR HE1 H 1 6.76 0.02 . 1 . . . . . . . . 6275 1 867 . 1 1 79 79 TYR HE2 H 1 6.76 0.02 . 1 . . . . . . . . 6275 1 868 . 1 1 79 79 TYR C C 13 178.4 0.08 . 1 . . . . . . . . 6275 1 869 . 1 1 79 79 TYR CA C 13 60.9 0.31 . 1 . . . . . . . . 6275 1 870 . 1 1 79 79 TYR CB C 13 37.7 0.31 . 1 . . . . . . . . 6275 1 871 . 1 1 79 79 TYR CD1 C 13 133.5 0.31 . 1 . . . . . . . . 6275 1 872 . 1 1 79 79 TYR CD2 C 13 133.5 0.31 . 1 . . . . . . . . 6275 1 873 . 1 1 79 79 TYR CE1 C 13 118.5 0.31 . 1 . . . . . . . . 6275 1 874 . 1 1 79 79 TYR CE2 C 13 118.5 0.31 . 1 . . . . . . . . 6275 1 875 . 1 1 79 79 TYR N N 15 116.8 0.14 . 1 . . . . . . . . 6275 1 876 . 1 1 80 80 ARG H H 1 7.38 0.015 . 1 . . . . . . . . 6275 1 877 . 1 1 80 80 ARG HA H 1 4.01 0.015 . 1 . . . . . . . . 6275 1 878 . 1 1 80 80 ARG HB2 H 1 1.77 0.02 . 1 . . . . . . . . 6275 1 879 . 1 1 80 80 ARG HB3 H 1 1.77 0.02 . 1 . . . . . . . . 6275 1 880 . 1 1 80 80 ARG HG2 H 1 1.63 0.02 . 1 . . . . . . . . 6275 1 881 . 1 1 80 80 ARG HG3 H 1 1.63 0.02 . 1 . . . . . . . . 6275 1 882 . 1 1 80 80 ARG HD2 H 1 3.15 0.02 . 1 . . . . . . . . 6275 1 883 . 1 1 80 80 ARG HD3 H 1 3.15 0.02 . 1 . . . . . . . . 6275 1 884 . 1 1 80 80 ARG C C 13 178.6 0.08 . 1 . . . . . . . . 6275 1 885 . 1 1 80 80 ARG CA C 13 58.7 0.31 . 1 . . . . . . . . 6275 1 886 . 1 1 80 80 ARG CB C 13 29.8 0.31 . 1 . . . . . . . . 6275 1 887 . 1 1 80 80 ARG CG C 13 27.5 0.31 . 1 . . . . . . . . 6275 1 888 . 1 1 80 80 ARG N N 15 118.9 0.14 . 1 . . . . . . . . 6275 1 889 . 1 1 81 81 LEU H H 1 7.21 0.015 . 1 . . . . . . . . 6275 1 890 . 1 1 81 81 LEU HA H 1 3.48 0.015 . 1 . . . . . . . . 6275 1 891 . 1 1 81 81 LEU HB2 H 1 2.01 0.02 . 1 . . . . . . . . 6275 1 892 . 1 1 81 81 LEU HB3 H 1 1.45 0.02 . 1 . . . . . . . . 6275 1 893 . 1 1 81 81 LEU HG H 1 1.64 0.02 . 1 . . . . . . . . 6275 1 894 . 1 1 81 81 LEU HD11 H 1 1.22 0.02 . 1 . . . . . . . . 6275 1 895 . 1 1 81 81 LEU HD12 H 1 1.22 0.02 . 1 . . . . . . . . 6275 1 896 . 1 1 81 81 LEU HD13 H 1 1.22 0.02 . 1 . . . . . . . . 6275 1 897 . 1 1 81 81 LEU HD21 H 1 1.01 0.02 . 1 . . . . . . . . 6275 1 898 . 1 1 81 81 LEU HD22 H 1 1.01 0.02 . 1 . . . . . . . . 6275 1 899 . 1 1 81 81 LEU HD23 H 1 1.01 0.02 . 1 . . . . . . . . 6275 1 900 . 1 1 81 81 LEU C C 13 178.0 0.08 . 1 . . . . . . . . 6275 1 901 . 1 1 81 81 LEU CA C 13 58.2 0.31 . 1 . . . . . . . . 6275 1 902 . 1 1 81 81 LEU CB C 13 40.2 0.31 . 1 . . . . . . . . 6275 1 903 . 1 1 81 81 LEU CG C 13 27.5 0.31 . 1 . . . . . . . . 6275 1 904 . 1 1 81 81 LEU CD1 C 13 21.8 0.31 . 2 . . . . . . . . 6275 1 905 . 1 1 81 81 LEU CD2 C 13 21.5 0.31 . 2 . . . . . . . . 6275 1 906 . 1 1 81 81 LEU N N 15 121.6 0.14 . 1 . . . . . . . . 6275 1 907 . 1 1 82 82 LYS H H 1 8.53 0.015 . 1 . . . . . . . . 6275 1 908 . 1 1 82 82 LYS HA H 1 3.97 0.015 . 1 . . . . . . . . 6275 1 909 . 1 1 82 82 LYS HB2 H 1 1.72 0.02 . 1 . . . . . . . . 6275 1 910 . 1 1 82 82 LYS HB3 H 1 1.67 0.02 . 1 . . . . . . . . 6275 1 911 . 1 1 82 82 LYS HG2 H 1 1.45 0.02 . 1 . . . . . . . . 6275 1 912 . 1 1 82 82 LYS HG3 H 1 1.45 0.02 . 1 . . . . . . . . 6275 1 913 . 1 1 82 82 LYS HD2 H 1 1.56 0.02 . 1 . . . . . . . . 6275 1 914 . 1 1 82 82 LYS HD3 H 1 1.56 0.02 . 1 . . . . . . . . 6275 1 915 . 1 1 82 82 LYS HE2 H 1 2.86 0.02 . 1 . . . . . . . . 6275 1 916 . 1 1 82 82 LYS HE3 H 1 2.86 0.02 . 1 . . . . . . . . 6275 1 917 . 1 1 82 82 LYS C C 13 179.5 0.08 . 1 . . . . . . . . 6275 1 918 . 1 1 82 82 LYS CA C 13 59.0 0.31 . 1 . . . . . . . . 6275 1 919 . 1 1 82 82 LYS CB C 13 31.5 0.31 . 1 . . . . . . . . 6275 1 920 . 1 1 82 82 LYS CG C 13 25.2 0.31 . 1 . . . . . . . . 6275 1 921 . 1 1 82 82 LYS CD C 13 29.0 0.31 . 1 . . . . . . . . 6275 1 922 . 1 1 82 82 LYS CE C 13 42.0 0.31 . 1 . . . . . . . . 6275 1 923 . 1 1 82 82 LYS N N 15 118.9 0.14 . 1 . . . . . . . . 6275 1 924 . 1 1 83 83 ALA H H 1 7.58 0.015 . 1 . . . . . . . . 6275 1 925 . 1 1 83 83 ALA HA H 1 3.88 0.015 . 1 . . . . . . . . 6275 1 926 . 1 1 83 83 ALA HB1 H 1 1.22 0.02 . 1 . . . . . . . . 6275 1 927 . 1 1 83 83 ALA HB2 H 1 1.22 0.02 . 1 . . . . . . . . 6275 1 928 . 1 1 83 83 ALA HB3 H 1 1.22 0.02 . 1 . . . . . . . . 6275 1 929 . 1 1 83 83 ALA C C 13 180.1 0.08 . 1 . . . . . . . . 6275 1 930 . 1 1 83 83 ALA CA C 13 54.8 0.31 . 1 . . . . . . . . 6275 1 931 . 1 1 83 83 ALA CB C 13 17.9 0.31 . 1 . . . . . . . . 6275 1 932 . 1 1 83 83 ALA N N 15 120.9 0.14 . 1 . . . . . . . . 6275 1 933 . 1 1 84 84 HIS H H 1 7.22 0.015 . 1 . . . . . . . . 6275 1 934 . 1 1 84 84 HIS HA H 1 4.11 0.015 . 1 . . . . . . . . 6275 1 935 . 1 1 84 84 HIS HB2 H 1 3.09 0.02 . 1 . . . . . . . . 6275 1 936 . 1 1 84 84 HIS HB3 H 1 2.70 0.02 . 1 . . . . . . . . 6275 1 937 . 1 1 84 84 HIS HE1 H 1 7.89 0.02 . 1 . . . . . . . . 6275 1 938 . 1 1 84 84 HIS C C 13 176.7 0.08 . 1 . . . . . . . . 6275 1 939 . 1 1 84 84 HIS CA C 13 58.8 0.31 . 1 . . . . . . . . 6275 1 940 . 1 1 84 84 HIS CB C 13 28.8 0.31 . 1 . . . . . . . . 6275 1 941 . 1 1 84 84 HIS N N 15 118.2 0.14 . 1 . . . . . . . . 6275 1 942 . 1 1 85 85 GLN H H 1 8.49 0.015 . 1 . . . . . . . . 6275 1 943 . 1 1 85 85 GLN HA H 1 3.66 0.015 . 1 . . . . . . . . 6275 1 944 . 1 1 85 85 GLN HB2 H 1 2.24 0.02 . 1 . . . . . . . . 6275 1 945 . 1 1 85 85 GLN HB3 H 1 2.06 0.02 . 1 . . . . . . . . 6275 1 946 . 1 1 85 85 GLN HG2 H 1 2.86 0.02 . 1 . . . . . . . . 6275 1 947 . 1 1 85 85 GLN HG3 H 1 2.65 0.02 . 1 . . . . . . . . 6275 1 948 . 1 1 85 85 GLN C C 13 178.3 0.08 . 1 . . . . . . . . 6275 1 949 . 1 1 85 85 GLN CA C 13 59.5 0.31 . 1 . . . . . . . . 6275 1 950 . 1 1 85 85 GLN CB C 13 28.4 0.31 . 1 . . . . . . . . 6275 1 951 . 1 1 85 85 GLN CG C 13 36.2 0.31 . 1 . . . . . . . . 6275 1 952 . 1 1 85 85 GLN N N 15 116.9 0.14 . 1 . . . . . . . . 6275 1 953 . 1 1 86 86 ARG H H 1 7.20 0.015 . 1 . . . . . . . . 6275 1 954 . 1 1 86 86 ARG HA H 1 4.06 0.015 . 1 . . . . . . . . 6275 1 955 . 1 1 86 86 ARG HB2 H 1 1.77 0.02 . 1 . . . . . . . . 6275 1 956 . 1 1 86 86 ARG HB3 H 1 1.77 0.02 . 1 . . . . . . . . 6275 1 957 . 1 1 86 86 ARG HG2 H 1 1.58 0.02 . 1 . . . . . . . . 6275 1 958 . 1 1 86 86 ARG HG3 H 1 1.58 0.02 . 1 . . . . . . . . 6275 1 959 . 1 1 86 86 ARG HD2 H 1 3.10 0.02 . 1 . . . . . . . . 6275 1 960 . 1 1 86 86 ARG HD3 H 1 3.10 0.02 . 1 . . . . . . . . 6275 1 961 . 1 1 86 86 ARG C C 13 178.3 0.08 . 1 . . . . . . . . 6275 1 962 . 1 1 86 86 ARG CA C 13 59.5 0.31 . 1 . . . . . . . . 6275 1 963 . 1 1 86 86 ARG CB C 13 30.0 0.31 . 1 . . . . . . . . 6275 1 964 . 1 1 86 86 ARG CG C 13 27.5 0.31 . 1 . . . . . . . . 6275 1 965 . 1 1 86 86 ARG CD C 13 43.7 0.31 . 1 . . . . . . . . 6275 1 966 . 1 1 86 86 ARG N N 15 117.8 0.14 . 1 . . . . . . . . 6275 1 967 . 1 1 87 87 LEU H H 1 7.61 0.015 . 1 . . . . . . . . 6275 1 968 . 1 1 87 87 LEU HA H 1 4.04 0.015 . 1 . . . . . . . . 6275 1 969 . 1 1 87 87 LEU HB2 H 1 1.43 0.02 . 1 . . . . . . . . 6275 1 970 . 1 1 87 87 LEU HB3 H 1 1.25 0.02 . 1 . . . . . . . . 6275 1 971 . 1 1 87 87 LEU HG H 1 1.59 0.02 . 1 . . . . . . . . 6275 1 972 . 1 1 87 87 LEU HD11 H 1 0.80 0.02 . 1 . . . . . . . . 6275 1 973 . 1 1 87 87 LEU HD12 H 1 0.80 0.02 . 1 . . . . . . . . 6275 1 974 . 1 1 87 87 LEU HD13 H 1 0.80 0.02 . 1 . . . . . . . . 6275 1 975 . 1 1 87 87 LEU HD21 H 1 0.72 0.02 . 1 . . . . . . . . 6275 1 976 . 1 1 87 87 LEU HD22 H 1 0.72 0.02 . 1 . . . . . . . . 6275 1 977 . 1 1 87 87 LEU HD23 H 1 0.72 0.02 . 1 . . . . . . . . 6275 1 978 . 1 1 87 87 LEU C C 13 178.7 0.08 . 1 . . . . . . . . 6275 1 979 . 1 1 87 87 LEU CA C 13 56.2 0.31 . 1 . . . . . . . . 6275 1 980 . 1 1 87 87 LEU CB C 13 41.1 0.31 . 1 . . . . . . . . 6275 1 981 . 1 1 87 87 LEU CG C 13 27.1 0.31 . 1 . . . . . . . . 6275 1 982 . 1 1 87 87 LEU CD1 C 13 23.4 0.31 . 1 . . . . . . . . 6275 1 983 . 1 1 87 87 LEU CD2 C 13 22.8 0.31 . 1 . . . . . . . . 6275 1 984 . 1 1 87 87 LEU N N 15 117.8 0.14 . 1 . . . . . . . . 6275 1 985 . 1 1 88 88 HIS H H 1 7.23 0.015 . 1 . . . . . . . . 6275 1 986 . 1 1 88 88 HIS HA H 1 4.63 0.015 . 1 . . . . . . . . 6275 1 987 . 1 1 88 88 HIS HB2 H 1 3.23 0.02 . 1 . . . . . . . . 6275 1 988 . 1 1 88 88 HIS HB3 H 1 3.20 0.02 . 1 . . . . . . . . 6275 1 989 . 1 1 88 88 HIS HD2 H 1 6.52 0.02 . 1 . . . . . . . . 6275 1 990 . 1 1 88 88 HIS HE1 H 1 8.02 0.02 . 1 . . . . . . . . 6275 1 991 . 1 1 88 88 HIS C C 13 175.5 0.08 . 1 . . . . . . . . 6275 1 992 . 1 1 88 88 HIS CA C 13 56.2 0.31 . 1 . . . . . . . . 6275 1 993 . 1 1 88 88 HIS CB C 13 28.9 0.31 . 1 . . . . . . . . 6275 1 994 . 1 1 88 88 HIS CD2 C 13 128.2 0.31 . 1 . . . . . . . . 6275 1 995 . 1 1 88 88 HIS CE1 C 13 140.0 0.31 . 1 . . . . . . . . 6275 1 996 . 1 1 88 88 HIS N N 15 115.8 0.14 . 1 . . . . . . . . 6275 1 997 . 1 1 89 89 THR H H 1 7.75 0.015 . 5 . . . . . . . . 6275 1 998 . 1 1 89 89 THR HA H 1 4.27 0.015 . 5 . . . . . . . . 6275 1 999 . 1 1 89 89 THR HB H 1 4.20 0.02 . 1 . . . . . . . . 6275 1 1000 . 1 1 89 89 THR HG21 H 1 1.16 0.02 . 1 . . . . . . . . 6275 1 1001 . 1 1 89 89 THR HG22 H 1 1.16 0.02 . 1 . . . . . . . . 6275 1 1002 . 1 1 89 89 THR HG23 H 1 1.16 0.02 . 1 . . . . . . . . 6275 1 1003 . 1 1 89 89 THR C C 13 175.2 0.08 . 5 . . . . . . . . 6275 1 1004 . 1 1 89 89 THR CA C 13 62.7 0.31 . 5 . . . . . . . . 6275 1 1005 . 1 1 89 89 THR CB C 13 69.6 0.31 . 5 . . . . . . . . 6275 1 1006 . 1 1 89 89 THR CG2 C 13 21.8 0.31 . 1 . . . . . . . . 6275 1 1007 . 1 1 89 89 THR N N 15 113.0 0.14 . 5 . . . . . . . . 6275 1 1008 . 1 1 90 90 GLY H H 1 8.29 0.015 . 5 . . . . . . . . 6275 1 1009 . 1 1 90 90 GLY HA2 H 1 3.94 0.02 . 1 . . . . . . . . 6275 1 1010 . 1 1 90 90 GLY C C 13 173.8 0.08 . 5 . . . . . . . . 6275 1 1011 . 1 1 90 90 GLY CA C 13 45.4 0.31 . 5 . . . . . . . . 6275 1 1012 . 1 1 90 90 GLY N N 15 111.6 0.14 . 5 . . . . . . . . 6275 1 1013 . 1 1 91 91 LYS H H 1 8.04 0.015 . 1 . . . . . . . . 6275 1 1014 . 1 1 91 91 LYS HA H 1 4.25 0.015 . 1 . . . . . . . . 6275 1 1015 . 1 1 91 91 LYS HB2 H 1 1.79 0.02 . 1 . . . . . . . . 6275 1 1016 . 1 1 91 91 LYS HB3 H 1 1.71 0.02 . 1 . . . . . . . . 6275 1 1017 . 1 1 91 91 LYS HG2 H 1 1.38 0.02 . 1 . . . . . . . . 6275 1 1018 . 1 1 91 91 LYS HG3 H 1 1.38 0.02 . 1 . . . . . . . . 6275 1 1019 . 1 1 91 91 LYS HD2 H 1 1.62 0.02 . 1 . . . . . . . . 6275 1 1020 . 1 1 91 91 LYS HD3 H 1 1.62 0.02 . 1 . . . . . . . . 6275 1 1021 . 1 1 91 91 LYS HE2 H 1 2.94 0.02 . 1 . . . . . . . . 6275 1 1022 . 1 1 91 91 LYS HE3 H 1 2.94 0.02 . 1 . . . . . . . . 6275 1 1023 . 1 1 91 91 LYS C C 13 175.9 0.08 . 1 . . . . . . . . 6275 1 1024 . 1 1 91 91 LYS CA C 13 55.9 0.31 . 1 . . . . . . . . 6275 1 1025 . 1 1 91 91 LYS CB C 13 33.2 0.31 . 1 . . . . . . . . 6275 1 1026 . 1 1 91 91 LYS CG C 13 24.9 0.31 . 1 . . . . . . . . 6275 1 1027 . 1 1 91 91 LYS CD C 13 29.0 0.31 . 1 . . . . . . . . 6275 1 1028 . 1 1 91 91 LYS CE C 13 42.1 0.31 . 1 . . . . . . . . 6275 1 1029 . 1 1 91 91 LYS N N 15 120.5 0.14 . 1 . . . . . . . . 6275 1 1030 . 1 1 92 92 THR H H 1 7.57 0.015 . 1 . . . . . . . . 6275 1 1031 . 1 1 92 92 THR HA H 1 4.49 0.015 . 1 . . . . . . . . 6275 1 1032 . 1 1 92 92 THR HB H 1 4.03 0.02 . 1 . . . . . . . . 6275 1 1033 . 1 1 92 92 THR HG21 H 1 0.93 0.02 . 1 . . . . . . . . 6275 1 1034 . 1 1 92 92 THR HG22 H 1 0.93 0.02 . 1 . . . . . . . . 6275 1 1035 . 1 1 92 92 THR HG23 H 1 0.93 0.02 . 1 . . . . . . . . 6275 1 1036 . 1 1 92 92 THR C C 13 173.0 0.08 . 1 . . . . . . . . 6275 1 1037 . 1 1 92 92 THR CA C 13 60.5 0.31 . 1 . . . . . . . . 6275 1 1038 . 1 1 92 92 THR CB C 13 71.0 0.31 . 1 . . . . . . . . 6275 1 1039 . 1 1 92 92 THR CG2 C 13 21.8 0.31 . 1 . . . . . . . . 6275 1 1040 . 1 1 92 92 THR N N 15 112.3 0.14 . 1 . . . . . . . . 6275 1 1041 . 1 1 93 93 PHE H H 1 8.84 0.015 . 1 . . . . . . . . 6275 1 1042 . 1 1 93 93 PHE HA H 1 4.66 0.015 . 1 . . . . . . . . 6275 1 1043 . 1 1 93 93 PHE HB2 H 1 3.07 0.02 . 1 . . . . . . . . 6275 1 1044 . 1 1 93 93 PHE HB3 H 1 2.75 0.02 . 1 . . . . . . . . 6275 1 1045 . 1 1 93 93 PHE HD1 H 1 7.03 0.02 . 1 . . . . . . . . 6275 1 1046 . 1 1 93 93 PHE HD2 H 1 7.03 0.02 . 1 . . . . . . . . 6275 1 1047 . 1 1 93 93 PHE HE1 H 1 6.86 0.02 . 1 . . . . . . . . 6275 1 1048 . 1 1 93 93 PHE HE2 H 1 6.86 0.02 . 1 . . . . . . . . 6275 1 1049 . 1 1 93 93 PHE C C 13 175.1 0.08 . 1 . . . . . . . . 6275 1 1050 . 1 1 93 93 PHE CA C 13 57.0 0.31 . 1 . . . . . . . . 6275 1 1051 . 1 1 93 93 PHE CB C 13 40.4 0.31 . 1 . . . . . . . . 6275 1 1052 . 1 1 93 93 PHE CD1 C 13 127.2 0.31 . 1 . . . . . . . . 6275 1 1053 . 1 1 93 93 PHE CD2 C 13 127.2 0.31 . 1 . . . . . . . . 6275 1 1054 . 1 1 93 93 PHE CE1 C 13 133.9 0.31 . 1 . . . . . . . . 6275 1 1055 . 1 1 93 93 PHE CE2 C 13 133.9 0.31 . 1 . . . . . . . . 6275 1 1056 . 1 1 93 93 PHE N N 15 121.1 0.14 . 1 . . . . . . . . 6275 1 1057 . 1 1 94 94 ASN H H 1 8.80 0.015 . 1 . . . . . . . . 6275 1 1058 . 1 1 94 94 ASN HA H 1 5.00 0.015 . 1 . . . . . . . . 6275 1 1059 . 1 1 94 94 ASN HB2 H 1 2.67 0.02 . 1 . . . . . . . . 6275 1 1060 . 1 1 94 94 ASN HB3 H 1 2.62 0.02 . 1 . . . . . . . . 6275 1 1061 . 1 1 94 94 ASN C C 13 173.9 0.08 . 1 . . . . . . . . 6275 1 1062 . 1 1 94 94 ASN CA C 13 53.1 0.31 . 1 . . . . . . . . 6275 1 1063 . 1 1 94 94 ASN CB C 13 39.7 0.31 . 1 . . . . . . . . 6275 1 1064 . 1 1 94 94 ASN N N 15 123.1 0.14 . 1 . . . . . . . . 6275 1 1065 . 1 1 95 95 CYS H H 1 8.37 0.015 . 1 . . . . . . . . 6275 1 1066 . 1 1 95 95 CYS HA H 1 4.35 0.015 . 1 . . . . . . . . 6275 1 1067 . 1 1 95 95 CYS HB2 H 1 3.17 0.02 . 1 . . . . . . . . 6275 1 1068 . 1 1 95 95 CYS HB3 H 1 2.75 0.02 . 1 . . . . . . . . 6275 1 1069 . 1 1 95 95 CYS C C 13 176.1 0.08 . 1 . . . . . . . . 6275 1 1070 . 1 1 95 95 CYS CA C 13 61.4 0.31 . 1 . . . . . . . . 6275 1 1071 . 1 1 95 95 CYS CB C 13 30.3 0.31 . 1 . . . . . . . . 6275 1 1072 . 1 1 95 95 CYS N N 15 123.9 0.14 . 1 . . . . . . . . 6275 1 1073 . 1 1 96 96 GLU H H 1 8.52 0.015 . 1 . . . . . . . . 6275 1 1074 . 1 1 96 96 GLU HA H 1 4.50 0.015 . 1 . . . . . . . . 6275 1 1075 . 1 1 96 96 GLU HB2 H 1 1.87 0.02 . 1 . . . . . . . . 6275 1 1076 . 1 1 96 96 GLU HB3 H 1 1.87 0.02 . 1 . . . . . . . . 6275 1 1077 . 1 1 96 96 GLU HG2 H 1 2.32 0.02 . 1 . . . . . . . . 6275 1 1078 . 1 1 96 96 GLU HG3 H 1 2.32 0.02 . 1 . . . . . . . . 6275 1 1079 . 1 1 96 96 GLU C C 13 176.7 0.08 . 1 . . . . . . . . 6275 1 1080 . 1 1 96 96 GLU CA C 13 56.1 0.31 . 1 . . . . . . . . 6275 1 1081 . 1 1 96 96 GLU CB C 13 30.5 0.31 . 1 . . . . . . . . 6275 1 1082 . 1 1 96 96 GLU CG C 13 36.8 0.31 . 1 . . . . . . . . 6275 1 1083 . 1 1 96 96 GLU N N 15 127.1 0.14 . 1 . . . . . . . . 6275 1 1084 . 1 1 97 97 SER H H 1 8.84 0.015 . 1 . . . . . . . . 6275 1 1085 . 1 1 97 97 SER HA H 1 4.08 0.015 . 1 . . . . . . . . 6275 1 1086 . 1 1 97 97 SER HB2 H 1 3.25 0.02 . 1 . . . . . . . . 6275 1 1087 . 1 1 97 97 SER HB3 H 1 3.20 0.02 . 1 . . . . . . . . 6275 1 1088 . 1 1 97 97 SER C C 13 175.5 0.08 . 1 . . . . . . . . 6275 1 1089 . 1 1 97 97 SER CA C 13 60.1 0.31 . 1 . . . . . . . . 6275 1 1090 . 1 1 97 97 SER CB C 13 62.9 0.31 . 1 . . . . . . . . 6275 1 1091 . 1 1 97 97 SER N N 15 121.1 0.14 . 1 . . . . . . . . 6275 1 1092 . 1 1 98 98 GLN H H 1 8.62 0.015 . 1 . . . . . . . . 6275 1 1093 . 1 1 98 98 GLN HA H 1 3.95 0.015 . 1 . . . . . . . . 6275 1 1094 . 1 1 98 98 GLN HB2 H 1 1.97 0.02 . 1 . . . . . . . . 6275 1 1095 . 1 1 98 98 GLN HB3 H 1 1.90 0.02 . 1 . . . . . . . . 6275 1 1096 . 1 1 98 98 GLN HG2 H 1 2.31 0.02 . 1 . . . . . . . . 6275 1 1097 . 1 1 98 98 GLN HG3 H 1 2.21 0.02 . 1 . . . . . . . . 6275 1 1098 . 1 1 98 98 GLN C C 13 177.5 0.08 . 1 . . . . . . . . 6275 1 1099 . 1 1 98 98 GLN CA C 13 58.1 0.31 . 1 . . . . . . . . 6275 1 1100 . 1 1 98 98 GLN CB C 13 28.2 0.31 . 1 . . . . . . . . 6275 1 1101 . 1 1 98 98 GLN CG C 13 36.5 0.31 . 1 . . . . . . . . 6275 1 1102 . 1 1 98 98 GLN N N 15 127.7 0.14 . 1 . . . . . . . . 6275 1 1103 . 1 1 99 99 GLY H H 1 8.95 0.015 . 5 . . . . . . . . 6275 1 1104 . 1 1 99 99 GLY HA2 H 1 4.12 0.02 . 2 . . . . . . . . 6275 1 1105 . 1 1 99 99 GLY HA3 H 1 3.67 0.02 . 2 . . . . . . . . 6275 1 1106 . 1 1 99 99 GLY C C 13 173.1 0.08 . 5 . . . . . . . . 6275 1 1107 . 1 1 99 99 GLY CA C 13 45.6 0.31 . 5 . . . . . . . . 6275 1 1108 . 1 1 99 99 GLY N N 15 114.4 0.14 . 5 . . . . . . . . 6275 1 1109 . 1 1 100 100 CYS H H 1 7.92 0.015 . 1 . . . . . . . . 6275 1 1110 . 1 1 100 100 CYS HA H 1 4.53 0.015 . 1 . . . . . . . . 6275 1 1111 . 1 1 100 100 CYS HB2 H 1 3.12 0.02 . 1 . . . . . . . . 6275 1 1112 . 1 1 100 100 CYS HB3 H 1 2.71 0.02 . 1 . . . . . . . . 6275 1 1113 . 1 1 100 100 CYS C C 13 175.2 0.08 . 1 . . . . . . . . 6275 1 1114 . 1 1 100 100 CYS CA C 13 60.0 0.31 . 1 . . . . . . . . 6275 1 1115 . 1 1 100 100 CYS CB C 13 30.7 0.31 . 1 . . . . . . . . 6275 1 1116 . 1 1 100 100 CYS N N 15 123.9 0.14 . 1 . . . . . . . . 6275 1 1117 . 1 1 101 101 SER H H 1 8.61 0.015 . 1 . . . . . . . . 6275 1 1118 . 1 1 101 101 SER HA H 1 4.76 0.015 . 1 . . . . . . . . 6275 1 1119 . 1 1 101 101 SER C C 13 174.7 0.08 . 1 . . . . . . . . 6275 1 1120 . 1 1 101 101 SER CA C 13 57.9 0.31 . 1 . . . . . . . . 6275 1 1121 . 1 1 101 101 SER CB C 13 63.5 0.31 . 1 . . . . . . . . 6275 1 1122 . 1 1 101 101 SER N N 15 119.0 0.14 . 1 . . . . . . . . 6275 1 1123 . 1 1 102 102 LYS H H 1 8.18 0.015 . 1 . . . . . . . . 6275 1 1124 . 1 1 102 102 LYS HA H 1 4.02 0.015 . 1 . . . . . . . . 6275 1 1125 . 1 1 102 102 LYS HB2 H 1 1.37 0.02 . 1 . . . . . . . . 6275 1 1126 . 1 1 102 102 LYS HB3 H 1 1.16 0.02 . 1 . . . . . . . . 6275 1 1127 . 1 1 102 102 LYS HG2 H 1 1.37 0.02 . 1 . . . . . . . . 6275 1 1128 . 1 1 102 102 LYS HG3 H 1 1.37 0.02 . 1 . . . . . . . . 6275 1 1129 . 1 1 102 102 LYS HD2 H 1 1.47 0.02 . 1 . . . . . . . . 6275 1 1130 . 1 1 102 102 LYS HD3 H 1 1.47 0.02 . 1 . . . . . . . . 6275 1 1131 . 1 1 102 102 LYS HE2 H 1 2.96 0.02 . 1 . . . . . . . . 6275 1 1132 . 1 1 102 102 LYS HE3 H 1 2.96 0.02 . 1 . . . . . . . . 6275 1 1133 . 1 1 102 102 LYS C C 13 174.8 0.08 . 1 . . . . . . . . 6275 1 1134 . 1 1 102 102 LYS CA C 13 56.6 0.31 . 1 . . . . . . . . 6275 1 1135 . 1 1 102 102 LYS CB C 13 33.3 0.31 . 1 . . . . . . . . 6275 1 1136 . 1 1 102 102 LYS CG C 13 26.2 0.31 . 1 . . . . . . . . 6275 1 1137 . 1 1 102 102 LYS CD C 13 28.7 0.31 . 1 . . . . . . . . 6275 1 1138 . 1 1 102 102 LYS CE C 13 42.0 0.31 . 1 . . . . . . . . 6275 1 1139 . 1 1 102 102 LYS N N 15 122.6 0.14 . 1 . . . . . . . . 6275 1 1140 . 1 1 103 103 TYR H H 1 7.26 0.015 . 1 . . . . . . . . 6275 1 1141 . 1 1 103 103 TYR HA H 1 4.69 0.015 . 1 . . . . . . . . 6275 1 1142 . 1 1 103 103 TYR HB2 H 1 3.12 0.02 . 1 . . . . . . . . 6275 1 1143 . 1 1 103 103 TYR HB3 H 1 2.94 0.02 . 1 . . . . . . . . 6275 1 1144 . 1 1 103 103 TYR HD1 H 1 6.88 0.02 . 1 . . . . . . . . 6275 1 1145 . 1 1 103 103 TYR HD2 H 1 6.88 0.02 . 1 . . . . . . . . 6275 1 1146 . 1 1 103 103 TYR HE1 H 1 6.69 0.02 . 1 . . . . . . . . 6275 1 1147 . 1 1 103 103 TYR HE2 H 1 6.69 0.02 . 1 . . . . . . . . 6275 1 1148 . 1 1 103 103 TYR C C 13 173.4 0.08 . 1 . . . . . . . . 6275 1 1149 . 1 1 103 103 TYR CA C 13 55.5 0.31 . 1 . . . . . . . . 6275 1 1150 . 1 1 103 103 TYR CB C 13 41.2 0.31 . 1 . . . . . . . . 6275 1 1151 . 1 1 103 103 TYR CD1 C 13 133.8 0.31 . 1 . . . . . . . . 6275 1 1152 . 1 1 103 103 TYR CD2 C 13 133.8 0.31 . 1 . . . . . . . . 6275 1 1153 . 1 1 103 103 TYR CE1 C 13 118.2 0.31 . 1 . . . . . . . . 6275 1 1154 . 1 1 103 103 TYR CE2 C 13 118.2 0.31 . 1 . . . . . . . . 6275 1 1155 . 1 1 103 103 TYR N N 15 116.9 0.14 . 1 . . . . . . . . 6275 1 1156 . 1 1 104 104 PHE H H 1 8.71 0.015 . 1 . . . . . . . . 6275 1 1157 . 1 1 104 104 PHE HA H 1 4.89 0.015 . 1 . . . . . . . . 6275 1 1158 . 1 1 104 104 PHE HB2 H 1 3.63 0.02 . 1 . . . . . . . . 6275 1 1159 . 1 1 104 104 PHE HB3 H 1 2.83 0.02 . 1 . . . . . . . . 6275 1 1160 . 1 1 104 104 PHE HD1 H 1 7.27 0.02 . 1 . . . . . . . . 6275 1 1161 . 1 1 104 104 PHE HD2 H 1 7.27 0.02 . 1 . . . . . . . . 6275 1 1162 . 1 1 104 104 PHE HE1 H 1 6.86 0.02 . 1 . . . . . . . . 6275 1 1163 . 1 1 104 104 PHE HE2 H 1 6.86 0.02 . 1 . . . . . . . . 6275 1 1164 . 1 1 104 104 PHE C C 13 175.8 0.08 . 1 . . . . . . . . 6275 1 1165 . 1 1 104 104 PHE CA C 13 57.3 0.31 . 1 . . . . . . . . 6275 1 1166 . 1 1 104 104 PHE CB C 13 44.2 0.31 . 1 . . . . . . . . 6275 1 1167 . 1 1 104 104 PHE CD1 C 13 132.6 0.31 . 1 . . . . . . . . 6275 1 1168 . 1 1 104 104 PHE CD2 C 13 132.6 0.31 . 1 . . . . . . . . 6275 1 1169 . 1 1 104 104 PHE CE1 C 13 130.7 0.31 . 1 . . . . . . . . 6275 1 1170 . 1 1 104 104 PHE CE2 C 13 130.7 0.31 . 1 . . . . . . . . 6275 1 1171 . 1 1 104 104 PHE N N 15 116.5 0.14 . 1 . . . . . . . . 6275 1 1172 . 1 1 105 105 THR H H 1 9.46 0.015 . 1 . . . . . . . . 6275 1 1173 . 1 1 105 105 THR HA H 1 4.78 0.015 . 1 . . . . . . . . 6275 1 1174 . 1 1 105 105 THR HB H 1 4.58 0.02 . 1 . . . . . . . . 6275 1 1175 . 1 1 105 105 THR HG21 H 1 1.33 0.02 . 1 . . . . . . . . 6275 1 1176 . 1 1 105 105 THR HG22 H 1 1.33 0.02 . 1 . . . . . . . . 6275 1 1177 . 1 1 105 105 THR HG23 H 1 1.33 0.02 . 1 . . . . . . . . 6275 1 1178 . 1 1 105 105 THR C C 13 174.9 0.08 . 1 . . . . . . . . 6275 1 1179 . 1 1 105 105 THR CA C 13 62.8 0.31 . 1 . . . . . . . . 6275 1 1180 . 1 1 105 105 THR CB C 13 69.7 0.31 . 1 . . . . . . . . 6275 1 1181 . 1 1 105 105 THR N N 15 111.0 0.14 . 1 . . . . . . . . 6275 1 1182 . 1 1 106 106 THR H H 1 7.39 0.015 . 1 . . . . . . . . 6275 1 1183 . 1 1 106 106 THR HA H 1 4.58 0.015 . 1 . . . . . . . . 6275 1 1184 . 1 1 106 106 THR HB H 1 4.32 0.02 . 1 . . . . . . . . 6275 1 1185 . 1 1 106 106 THR HG21 H 1 1.24 0.02 . 1 . . . . . . . . 6275 1 1186 . 1 1 106 106 THR HG22 H 1 1.24 0.02 . 1 . . . . . . . . 6275 1 1187 . 1 1 106 106 THR HG23 H 1 1.24 0.02 . 1 . . . . . . . . 6275 1 1188 . 1 1 106 106 THR C C 13 173.6 0.08 . 1 . . . . . . . . 6275 1 1189 . 1 1 106 106 THR CA C 13 59.4 0.31 . 1 . . . . . . . . 6275 1 1190 . 1 1 106 106 THR CB C 13 72.7 0.31 . 1 . . . . . . . . 6275 1 1191 . 1 1 106 106 THR CG2 C 13 20.6 0.31 . 1 . . . . . . . . 6275 1 1192 . 1 1 106 106 THR N N 15 108.6 0.14 . 1 . . . . . . . . 6275 1 1193 . 1 1 107 107 LEU H H 1 8.14 0.015 . 1 . . . . . . . . 6275 1 1194 . 1 1 107 107 LEU HA H 1 3.39 0.015 . 1 . . . . . . . . 6275 1 1195 . 1 1 107 107 LEU HB2 H 1 1.35 0.02 . 1 . . . . . . . . 6275 1 1196 . 1 1 107 107 LEU HB3 H 1 1.01 0.02 . 1 . . . . . . . . 6275 1 1197 . 1 1 107 107 LEU HG H 1 1.11 0.02 . 1 . . . . . . . . 6275 1 1198 . 1 1 107 107 LEU HD11 H 1 0.83 0.02 . 1 . . . . . . . . 6275 1 1199 . 1 1 107 107 LEU HD12 H 1 0.83 0.02 . 1 . . . . . . . . 6275 1 1200 . 1 1 107 107 LEU HD13 H 1 0.83 0.02 . 1 . . . . . . . . 6275 1 1201 . 1 1 107 107 LEU HD21 H 1 0.70 0.02 . 1 . . . . . . . . 6275 1 1202 . 1 1 107 107 LEU HD22 H 1 0.70 0.02 . 1 . . . . . . . . 6275 1 1203 . 1 1 107 107 LEU HD23 H 1 0.70 0.02 . 1 . . . . . . . . 6275 1 1204 . 1 1 107 107 LEU C C 13 178.9 0.08 . 1 . . . . . . . . 6275 1 1205 . 1 1 107 107 LEU CA C 13 57.0 0.31 . 1 . . . . . . . . 6275 1 1206 . 1 1 107 107 LEU CB C 13 41.2 0.31 . 1 . . . . . . . . 6275 1 1207 . 1 1 107 107 LEU CG C 13 27.1 0.31 . 1 . . . . . . . . 6275 1 1208 . 1 1 107 107 LEU CD1 C 13 23.1 0.31 . 1 . . . . . . . . 6275 1 1209 . 1 1 107 107 LEU CD2 C 13 24.9 0.31 . 1 . . . . . . . . 6275 1 1210 . 1 1 107 107 LEU N N 15 124.3 0.14 . 1 . . . . . . . . 6275 1 1211 . 1 1 108 108 SER HA H 1 3.81 0.02 . 1 . . . . . . . . 6275 1 1212 . 1 1 108 108 SER HB2 H 1 3.68 0.02 . 1 . . . . . . . . 6275 1 1213 . 1 1 108 108 SER HB3 H 1 3.68 0.02 . 1 . . . . . . . . 6275 1 1214 . 1 1 108 108 SER C C 13 177.3 0.08 . 4 . . . . . . . . 6275 1 1215 . 1 1 108 108 SER CA C 13 62.0 0.31 . 4 . . . . . . . . 6275 1 1216 . 1 1 108 108 SER CB C 13 62.0 0.31 . 4 . . . . . . . . 6275 1 1217 . 1 1 109 109 ASP H H 1 7.67 0.015 . 1 . . . . . . . . 6275 1 1218 . 1 1 109 109 ASP HA H 1 4.27 0.015 . 1 . . . . . . . . 6275 1 1219 . 1 1 109 109 ASP HB2 H 1 2.76 0.02 . 1 . . . . . . . . 6275 1 1220 . 1 1 109 109 ASP HB3 H 1 2.58 0.02 . 1 . . . . . . . . 6275 1 1221 . 1 1 109 109 ASP C C 13 178.6 0.08 . 1 . . . . . . . . 6275 1 1222 . 1 1 109 109 ASP CA C 13 57.0 0.31 . 1 . . . . . . . . 6275 1 1223 . 1 1 109 109 ASP CB C 13 40.1 0.31 . 1 . . . . . . . . 6275 1 1224 . 1 1 109 109 ASP N N 15 120.9 0.14 . 1 . . . . . . . . 6275 1 1225 . 1 1 110 110 LEU H H 1 7.20 0.015 . 1 . . . . . . . . 6275 1 1226 . 1 1 110 110 LEU HA H 1 3.33 0.015 . 1 . . . . . . . . 6275 1 1227 . 1 1 110 110 LEU HB2 H 1 2.03 0.02 . 1 . . . . . . . . 6275 1 1228 . 1 1 110 110 LEU HB3 H 1 1.42 0.02 . 1 . . . . . . . . 6275 1 1229 . 1 1 110 110 LEU HG H 1 1.54 0.02 . 1 . . . . . . . . 6275 1 1230 . 1 1 110 110 LEU HD11 H 1 1.02 0.02 . 1 . . . . . . . . 6275 1 1231 . 1 1 110 110 LEU HD12 H 1 1.02 0.02 . 1 . . . . . . . . 6275 1 1232 . 1 1 110 110 LEU HD13 H 1 1.02 0.02 . 1 . . . . . . . . 6275 1 1233 . 1 1 110 110 LEU HD21 H 1 0.86 0.02 . 1 . . . . . . . . 6275 1 1234 . 1 1 110 110 LEU HD22 H 1 0.86 0.02 . 1 . . . . . . . . 6275 1 1235 . 1 1 110 110 LEU HD23 H 1 0.86 0.02 . 1 . . . . . . . . 6275 1 1236 . 1 1 110 110 LEU C C 13 177.8 0.08 . 1 . . . . . . . . 6275 1 1237 . 1 1 110 110 LEU CA C 13 58.2 0.31 . 1 . . . . . . . . 6275 1 1238 . 1 1 110 110 LEU CB C 13 40.4 0.31 . 1 . . . . . . . . 6275 1 1239 . 1 1 110 110 LEU CG C 13 27.1 0.31 . 1 . . . . . . . . 6275 1 1240 . 1 1 110 110 LEU CD1 C 13 22.8 0.31 . 1 . . . . . . . . 6275 1 1241 . 1 1 110 110 LEU CD2 C 13 23.1 0.31 . 1 . . . . . . . . 6275 1 1242 . 1 1 110 110 LEU N N 15 122.3 0.14 . 1 . . . . . . . . 6275 1 1243 . 1 1 111 111 ARG H H 1 8.56 0.015 . 1 . . . . . . . . 6275 1 1244 . 1 1 111 111 ARG HA H 1 3.75 0.015 . 1 . . . . . . . . 6275 1 1245 . 1 1 111 111 ARG HB2 H 1 1.81 0.02 . 1 . . . . . . . . 6275 1 1246 . 1 1 111 111 ARG HB3 H 1 1.81 0.02 . 1 . . . . . . . . 6275 1 1247 . 1 1 111 111 ARG HG2 H 1 1.61 0.02 . 1 . . . . . . . . 6275 1 1248 . 1 1 111 111 ARG HG3 H 1 1.61 0.02 . 1 . . . . . . . . 6275 1 1249 . 1 1 111 111 ARG HD2 H 1 3.17 0.02 . 1 . . . . . . . . 6275 1 1250 . 1 1 111 111 ARG HD3 H 1 3.17 0.02 . 1 . . . . . . . . 6275 1 1251 . 1 1 111 111 ARG C C 13 179.0 0.08 . 1 . . . . . . . . 6275 1 1252 . 1 1 111 111 ARG CA C 13 59.9 0.31 . 1 . . . . . . . . 6275 1 1253 . 1 1 111 111 ARG CB C 13 29.6 0.31 . 1 . . . . . . . . 6275 1 1254 . 1 1 111 111 ARG CG C 13 27.5 0.31 . 1 . . . . . . . . 6275 1 1255 . 1 1 111 111 ARG CD C 13 43.4 0.31 . 1 . . . . . . . . 6275 1 1256 . 1 1 111 111 ARG N N 15 118.5 0.14 . 1 . . . . . . . . 6275 1 1257 . 1 1 112 112 LYS H H 1 7.54 0.015 . 1 . . . . . . . . 6275 1 1258 . 1 1 112 112 LYS HA H 1 3.85 0.015 . 1 . . . . . . . . 6275 1 1259 . 1 1 112 112 LYS HB2 H 1 1.77 0.02 . 1 . . . . . . . . 6275 1 1260 . 1 1 112 112 LYS HB3 H 1 1.70 0.02 . 1 . . . . . . . . 6275 1 1261 . 1 1 112 112 LYS HG2 H 1 1.31 0.02 . 1 . . . . . . . . 6275 1 1262 . 1 1 112 112 LYS HG3 H 1 1.31 0.02 . 1 . . . . . . . . 6275 1 1263 . 1 1 112 112 LYS HD2 H 1 1.60 0.02 . 1 . . . . . . . . 6275 1 1264 . 1 1 112 112 LYS HD3 H 1 1.60 0.02 . 1 . . . . . . . . 6275 1 1265 . 1 1 112 112 LYS HE2 H 1 2.89 0.02 . 1 . . . . . . . . 6275 1 1266 . 1 1 112 112 LYS HE3 H 1 2.89 0.02 . 1 . . . . . . . . 6275 1 1267 . 1 1 112 112 LYS C C 13 178.6 0.08 . 1 . . . . . . . . 6275 1 1268 . 1 1 112 112 LYS CA C 13 59.5 0.31 . 1 . . . . . . . . 6275 1 1269 . 1 1 112 112 LYS CB C 13 32.6 0.31 . 1 . . . . . . . . 6275 1 1270 . 1 1 112 112 LYS CG C 13 25.2 0.31 . 1 . . . . . . . . 6275 1 1271 . 1 1 112 112 LYS CD C 13 29.0 0.31 . 1 . . . . . . . . 6275 1 1272 . 1 1 112 112 LYS CE C 13 42.0 0.31 . 1 . . . . . . . . 6275 1 1273 . 1 1 112 112 LYS N N 15 118.2 0.14 . 1 . . . . . . . . 6275 1 1274 . 1 1 113 113 HIS H H 1 7.47 0.015 . 1 . . . . . . . . 6275 1 1275 . 1 1 113 113 HIS HA H 1 4.22 0.015 . 1 . . . . . . . . 6275 1 1276 . 1 1 113 113 HIS HB2 H 1 3.04 0.02 . 1 . . . . . . . . 6275 1 1277 . 1 1 113 113 HIS HB3 H 1 2.78 0.02 . 1 . . . . . . . . 6275 1 1278 . 1 1 113 113 HIS HD2 H 1 7.14 0.02 . 1 . . . . . . . . 6275 1 1279 . 1 1 113 113 HIS HE1 H 1 7.78 0.02 . 1 . . . . . . . . 6275 1 1280 . 1 1 113 113 HIS C C 13 178.6 0.08 . 1 . . . . . . . . 6275 1 1281 . 1 1 113 113 HIS CA C 13 59.1 0.31 . 1 . . . . . . . . 6275 1 1282 . 1 1 113 113 HIS CB C 13 28.9 0.31 . 1 . . . . . . . . 6275 1 1283 . 1 1 113 113 HIS N N 15 118.6 0.14 . 1 . . . . . . . . 6275 1 1284 . 1 1 114 114 ILE H H 1 8.80 0.015 . 1 . . . . . . . . 6275 1 1285 . 1 1 114 114 ILE HA H 1 3.54 0.015 . 1 . . . . . . . . 6275 1 1286 . 1 1 114 114 ILE HB H 1 1.96 0.02 . 1 . . . . . . . . 6275 1 1287 . 1 1 114 114 ILE HG12 H 1 1.79 0.02 . 1 . . . . . . . . 6275 1 1288 . 1 1 114 114 ILE HG13 H 1 1.44 0.02 . 1 . . . . . . . . 6275 1 1289 . 1 1 114 114 ILE HG21 H 1 1.06 0.02 . 1 . . . . . . . . 6275 1 1290 . 1 1 114 114 ILE HG22 H 1 1.06 0.02 . 1 . . . . . . . . 6275 1 1291 . 1 1 114 114 ILE HG23 H 1 1.06 0.02 . 1 . . . . . . . . 6275 1 1292 . 1 1 114 114 ILE HD11 H 1 0.93 0.02 . 1 . . . . . . . . 6275 1 1293 . 1 1 114 114 ILE HD12 H 1 0.93 0.02 . 1 . . . . . . . . 6275 1 1294 . 1 1 114 114 ILE HD13 H 1 0.93 0.02 . 1 . . . . . . . . 6275 1 1295 . 1 1 114 114 ILE C C 13 177.8 0.08 . 1 . . . . . . . . 6275 1 1296 . 1 1 114 114 ILE CA C 13 65.9 0.31 . 1 . . . . . . . . 6275 1 1297 . 1 1 114 114 ILE CB C 13 38.2 0.31 . 1 . . . . . . . . 6275 1 1298 . 1 1 114 114 ILE CG1 C 13 26.8 0.31 . 1 . . . . . . . . 6275 1 1299 . 1 1 114 114 ILE CG2 C 13 17.7 0.31 . 1 . . . . . . . . 6275 1 1300 . 1 1 114 114 ILE CD1 C 13 14.3 0.31 . 1 . . . . . . . . 6275 1 1301 . 1 1 114 114 ILE N N 15 121.2 0.14 . 1 . . . . . . . . 6275 1 1302 . 1 1 115 115 ARG H H 1 6.98 0.015 . 1 . . . . . . . . 6275 1 1303 . 1 1 115 115 ARG HA H 1 4.11 0.015 . 1 . . . . . . . . 6275 1 1304 . 1 1 115 115 ARG HB2 H 1 1.87 0.02 . 1 . . . . . . . . 6275 1 1305 . 1 1 115 115 ARG HB3 H 1 1.81 0.02 . 1 . . . . . . . . 6275 1 1306 . 1 1 115 115 ARG HG2 H 1 1.64 0.02 . 1 . . . . . . . . 6275 1 1307 . 1 1 115 115 ARG HG3 H 1 1.64 0.02 . 1 . . . . . . . . 6275 1 1308 . 1 1 115 115 ARG HD2 H 1 3.14 0.02 . 1 . . . . . . . . 6275 1 1309 . 1 1 115 115 ARG HD3 H 1 3.14 0.02 . 1 . . . . . . . . 6275 1 1310 . 1 1 115 115 ARG C C 13 178.0 0.08 . 1 . . . . . . . . 6275 1 1311 . 1 1 115 115 ARG CA C 13 58.3 0.31 . 1 . . . . . . . . 6275 1 1312 . 1 1 115 115 ARG CB C 13 30.0 0.31 . 1 . . . . . . . . 6275 1 1313 . 1 1 115 115 ARG CG C 13 27.5 0.31 . 1 . . . . . . . . 6275 1 1314 . 1 1 115 115 ARG CD C 13 43.7 0.31 . 1 . . . . . . . . 6275 1 1315 . 1 1 115 115 ARG N N 15 117.8 0.14 . 1 . . . . . . . . 6275 1 1316 . 1 1 116 116 THR H H 1 7.76 0.015 . 5 . . . . . . . . 6275 1 1317 . 1 1 116 116 THR HA H 1 4.09 0.015 . 5 . . . . . . . . 6275 1 1318 . 1 1 116 116 THR HG21 H 1 1.17 0.02 . 1 . . . . . . . . 6275 1 1319 . 1 1 116 116 THR HG22 H 1 1.17 0.02 . 1 . . . . . . . . 6275 1 1320 . 1 1 116 116 THR HG23 H 1 1.17 0.02 . 1 . . . . . . . . 6275 1 1321 . 1 1 116 116 THR C C 13 175.7 0.08 . 5 . . . . . . . . 6275 1 1322 . 1 1 116 116 THR CA C 13 63.9 0.31 . 5 . . . . . . . . 6275 1 1323 . 1 1 116 116 THR CB C 13 69.2 0.31 . 5 . . . . . . . . 6275 1 1324 . 1 1 116 116 THR CG2 C 13 20.9 0.31 . 5 . . . . . . . . 6275 1 1325 . 1 1 116 116 THR N N 15 110.0 0.14 . 5 . . . . . . . . 6275 1 1326 . 1 1 117 117 HIS H H 1 7.32 0.015 . 1 . . . . . . . . 6275 1 1327 . 1 1 117 117 HIS HA H 1 4.71 0.015 . 1 . . . . . . . . 6275 1 1328 . 1 1 117 117 HIS HB2 H 1 3.20 0.02 . 1 . . . . . . . . 6275 1 1329 . 1 1 117 117 HIS HB3 H 1 3.14 0.02 . 1 . . . . . . . . 6275 1 1330 . 1 1 117 117 HIS HD2 H 1 6.47 0.02 . 1 . . . . . . . . 6275 1 1331 . 1 1 117 117 HIS HE1 H 1 7.97 0.02 . 1 . . . . . . . . 6275 1 1332 . 1 1 117 117 HIS C C 13 175.9 0.08 . 1 . . . . . . . . 6275 1 1333 . 1 1 117 117 HIS CA C 13 56.3 0.31 . 1 . . . . . . . . 6275 1 1334 . 1 1 117 117 HIS CB C 13 28.7 0.31 . 1 . . . . . . . . 6275 1 1335 . 1 1 117 117 HIS CD2 C 13 127.2 0.31 . 1 . . . . . . . . 6275 1 1336 . 1 1 117 117 HIS CE1 C 13 139.7 0.31 . 1 . . . . . . . . 6275 1 1337 . 1 1 117 117 HIS N N 15 119.5 0.14 . 1 . . . . . . . . 6275 1 1338 . 1 1 118 118 THR H H 1 7.77 0.015 . 5 . . . . . . . . 6275 1 1339 . 1 1 118 118 THR HA H 1 4.27 0.015 . 5 . . . . . . . . 6275 1 1340 . 1 1 118 118 THR HB H 1 4.14 0.02 . 1 . . . . . . . . 6275 1 1341 . 1 1 118 118 THR HG21 H 1 1.16 0.02 . 1 . . . . . . . . 6275 1 1342 . 1 1 118 118 THR HG22 H 1 1.16 0.02 . 1 . . . . . . . . 6275 1 1343 . 1 1 118 118 THR HG23 H 1 1.16 0.02 . 1 . . . . . . . . 6275 1 1344 . 1 1 118 118 THR C C 13 175.2 0.08 . 5 . . . . . . . . 6275 1 1345 . 1 1 118 118 THR CA C 13 62.7 0.31 . 5 . . . . . . . . 6275 1 1346 . 1 1 118 118 THR CB C 13 69.6 0.31 . 5 . . . . . . . . 6275 1 1347 . 1 1 118 118 THR CG2 C 13 21.8 0.31 . 1 . . . . . . . . 6275 1 1348 . 1 1 118 118 THR N N 15 113.1 0.14 . 5 . . . . . . . . 6275 1 1349 . 1 1 119 119 GLY H H 1 8.29 0.015 . 5 . . . . . . . . 6275 1 1350 . 1 1 119 119 GLY HA2 H 1 3.94 0.02 . 1 . . . . . . . . 6275 1 1351 . 1 1 119 119 GLY C C 13 174.1 0.08 . 5 . . . . . . . . 6275 1 1352 . 1 1 119 119 GLY CA C 13 45.5 0.31 . 5 . . . . . . . . 6275 1 1353 . 1 1 119 119 GLY N N 15 111.5 0.14 . 5 . . . . . . . . 6275 1 1354 . 1 1 120 120 GLU H H 1 8.05 0.015 . 1 . . . . . . . . 6275 1 1355 . 1 1 120 120 GLU HA H 1 4.22 0.015 . 1 . . . . . . . . 6275 1 1356 . 1 1 120 120 GLU HB2 H 1 1.97 0.02 . 1 . . . . . . . . 6275 1 1357 . 1 1 120 120 GLU HB3 H 1 1.97 0.02 . 1 . . . . . . . . 6275 1 1358 . 1 1 120 120 GLU HG2 H 1 2.42 0.02 . 1 . . . . . . . . 6275 1 1359 . 1 1 120 120 GLU HG3 H 1 2.42 0.02 . 1 . . . . . . . . 6275 1 1360 . 1 1 120 120 GLU C C 13 176.2 0.02 . 1 . . . . . . . . 6275 1 1361 . 1 1 120 120 GLU CA C 13 56.3 0.31 . 1 . . . . . . . . 6275 1 1362 . 1 1 120 120 GLU CB C 13 30.7 0.31 . 1 . . . . . . . . 6275 1 1363 . 1 1 120 120 GLU CG C 13 36.5 0.31 . 1 . . . . . . . . 6275 1 1364 . 1 1 120 120 GLU N N 15 120.4 0.14 . 1 . . . . . . . . 6275 1 1365 . 1 1 121 121 LYS H H 1 8.31 0.015 . 1 . . . . . . . . 6275 1 1366 . 1 1 121 121 LYS HA H 1 4.53 0.015 . 1 . . . . . . . . 6275 1 1367 . 1 1 121 121 LYS HB2 H 1 1.79 0.02 . 1 . . . . . . . . 6275 1 1368 . 1 1 121 121 LYS HB3 H 1 1.68 0.02 . 1 . . . . . . . . 6275 1 1369 . 1 1 121 121 LYS HG2 H 1 1.36 0.02 . 1 . . . . . . . . 6275 1 1370 . 1 1 121 121 LYS HG3 H 1 1.43 0.02 . 1 . . . . . . . . 6275 1 1371 . 1 1 121 121 LYS HD2 H 1 1.61 0.02 . 1 . . . . . . . . 6275 1 1372 . 1 1 121 121 LYS HD3 H 1 1.61 0.02 . 1 . . . . . . . . 6275 1 1373 . 1 1 121 121 LYS HE2 H 1 2.92 0.02 . 1 . . . . . . . . 6275 1 1374 . 1 1 121 121 LYS HE3 H 1 2.92 0.02 . 1 . . . . . . . . 6275 1 1375 . 1 1 121 121 LYS C C 13 174.1 0.08 . 1 . . . . . . . . 6275 1 1376 . 1 1 121 121 LYS CA C 13 54.0 0.31 . 1 . . . . . . . . 6275 1 1377 . 1 1 121 121 LYS CB C 13 32.4 0.31 . 1 . . . . . . . . 6275 1 1378 . 1 1 121 121 LYS CG C 13 25.0 0.31 . 1 . . . . . . . . 6275 1 1379 . 1 1 121 121 LYS CD C 13 29.0 0.31 . 1 . . . . . . . . 6275 1 1380 . 1 1 121 121 LYS CE C 13 42.0 0.31 . 1 . . . . . . . . 6275 1 1381 . 1 1 121 121 LYS N N 15 123.0 0.14 . 1 . . . . . . . . 6275 1 1382 . 1 1 122 122 PRO C C 13 176.4 0.08 . 1 . . . . . . . . 6275 1 1383 . 1 1 122 122 PRO CA C 13 63.5 0.31 . 1 . . . . . . . . 6275 1 1384 . 1 1 122 122 PRO CB C 13 32.3 0.31 . 1 . . . . . . . . 6275 1 1385 . 1 1 123 123 PHE H H 1 7.85 0.015 . 1 . . . . . . . . 6275 1 1386 . 1 1 123 123 PHE HA H 1 4.61 0.015 . 1 . . . . . . . . 6275 1 1387 . 1 1 123 123 PHE HB2 H 1 2.88 0.02 . 1 . . . . . . . . 6275 1 1388 . 1 1 123 123 PHE HB3 H 1 2.71 0.02 . 1 . . . . . . . . 6275 1 1389 . 1 1 123 123 PHE HD1 H 1 6.96 0.02 . 1 . . . . . . . . 6275 1 1390 . 1 1 123 123 PHE HD2 H 1 6.96 0.02 . 1 . . . . . . . . 6275 1 1391 . 1 1 123 123 PHE HE1 H 1 6.83 0.02 . 1 . . . . . . . . 6275 1 1392 . 1 1 123 123 PHE HE2 H 1 6.83 0.02 . 1 . . . . . . . . 6275 1 1393 . 1 1 123 123 PHE C C 13 174.5 0.08 . 1 . . . . . . . . 6275 1 1394 . 1 1 123 123 PHE CA C 13 57.3 0.31 . 1 . . . . . . . . 6275 1 1395 . 1 1 123 123 PHE CB C 13 38.6 0.31 . 1 . . . . . . . . 6275 1 1396 . 1 1 123 123 PHE CD1 C 13 127.9 0.31 . 1 . . . . . . . . 6275 1 1397 . 1 1 123 123 PHE CD2 C 13 127.9 0.31 . 1 . . . . . . . . 6275 1 1398 . 1 1 123 123 PHE CE1 C 13 130.7 0.31 . 1 . . . . . . . . 6275 1 1399 . 1 1 123 123 PHE CE2 C 13 130.7 0.31 . 1 . . . . . . . . 6275 1 1400 . 1 1 123 123 PHE N N 15 118.3 0.14 . 1 . . . . . . . . 6275 1 1401 . 1 1 124 124 ARG H H 1 8.52 0.015 . 1 . . . . . . . . 6275 1 1402 . 1 1 124 124 ARG HA H 1 4.84 0.015 . 1 . . . . . . . . 6275 1 1403 . 1 1 124 124 ARG HB2 H 1 1.74 0.02 . 1 . . . . . . . . 6275 1 1404 . 1 1 124 124 ARG HB3 H 1 1.64 0.02 . 1 . . . . . . . . 6275 1 1405 . 1 1 124 124 ARG HG2 H 1 1.48 0.02 . 1 . . . . . . . . 6275 1 1406 . 1 1 124 124 ARG HG3 H 1 1.48 0.02 . 1 . . . . . . . . 6275 1 1407 . 1 1 124 124 ARG HD2 H 1 3.11 0.02 . 1 . . . . . . . . 6275 1 1408 . 1 1 124 124 ARG HD3 H 1 3.11 0.02 . 1 . . . . . . . . 6275 1 1409 . 1 1 124 124 ARG C C 13 174.7 0.08 . 1 . . . . . . . . 6275 1 1410 . 1 1 124 124 ARG CA C 13 55.1 0.31 . 1 . . . . . . . . 6275 1 1411 . 1 1 124 124 ARG CB C 13 32.7 0.31 . 1 . . . . . . . . 6275 1 1412 . 1 1 124 124 ARG CG C 13 27.5 0.31 . 1 . . . . . . . . 6275 1 1413 . 1 1 124 124 ARG CD C 13 43.7 0.31 . 1 . . . . . . . . 6275 1 1414 . 1 1 124 124 ARG N N 15 125.0 0.14 . 1 . . . . . . . . 6275 1 1415 . 1 1 125 125 CYS H H 1 8.83 0.015 . 1 . . . . . . . . 6275 1 1416 . 1 1 125 125 CYS HA H 1 4.37 0.015 . 1 . . . . . . . . 6275 1 1417 . 1 1 125 125 CYS HB2 H 1 3.28 0.02 . 1 . . . . . . . . 6275 1 1418 . 1 1 125 125 CYS HB3 H 1 2.80 0.02 . 1 . . . . . . . . 6275 1 1419 . 1 1 125 125 CYS C C 13 175.9 0.08 . 1 . . . . . . . . 6275 1 1420 . 1 1 125 125 CYS CA C 13 60.9 0.31 . 1 . . . . . . . . 6275 1 1421 . 1 1 125 125 CYS CB C 13 30.6 0.31 . 1 . . . . . . . . 6275 1 1422 . 1 1 125 125 CYS N N 15 126.5 0.14 . 1 . . . . . . . . 6275 1 1423 . 1 1 126 126 ASP H H 1 8.71 0.015 . 1 . . . . . . . . 6275 1 1424 . 1 1 126 126 ASP HA H 1 4.77 0.015 . 1 . . . . . . . . 6275 1 1425 . 1 1 126 126 ASP HB2 H 1 2.81 0.02 . 1 . . . . . . . . 6275 1 1426 . 1 1 126 126 ASP HB3 H 1 2.73 0.02 . 1 . . . . . . . . 6275 1 1427 . 1 1 126 126 ASP C C 13 176.2 0.08 . 1 . . . . . . . . 6275 1 1428 . 1 1 126 126 ASP CA C 13 53.8 0.31 . 1 . . . . . . . . 6275 1 1429 . 1 1 126 126 ASP CB C 13 41.1 0.31 . 1 . . . . . . . . 6275 1 1430 . 1 1 126 126 ASP N N 15 129.1 0.14 . 1 . . . . . . . . 6275 1 1431 . 1 1 127 127 HIS H H 1 9.01 0.015 . 1 . . . . . . . . 6275 1 1432 . 1 1 127 127 HIS HA H 1 4.06 0.015 . 1 . . . . . . . . 6275 1 1433 . 1 1 127 127 HIS HB2 H 1 2.60 0.02 . 1 . . . . . . . . 6275 1 1434 . 1 1 127 127 HIS HB3 H 1 2.50 0.02 . 1 . . . . . . . . 6275 1 1435 . 1 1 127 127 HIS C C 13 176.3 0.08 . 1 . . . . . . . . 6275 1 1436 . 1 1 127 127 HIS CA C 13 58.4 0.31 . 1 . . . . . . . . 6275 1 1437 . 1 1 127 127 HIS CB C 13 30.4 0.31 . 1 . . . . . . . . 6275 1 1438 . 1 1 127 127 HIS N N 15 124.7 0.14 . 1 . . . . . . . . 6275 1 1439 . 1 1 128 128 ASP H H 1 8.37 0.015 . 1 . . . . . . . . 6275 1 1440 . 1 1 128 128 ASP HA H 1 4.20 0.015 . 1 . . . . . . . . 6275 1 1441 . 1 1 128 128 ASP HB2 H 1 2.43 0.02 . 1 . . . . . . . . 6275 1 1442 . 1 1 128 128 ASP HB3 H 1 2.43 0.02 . 1 . . . . . . . . 6275 1 1443 . 1 1 128 128 ASP C C 13 177.0 0.08 . 1 . . . . . . . . 6275 1 1444 . 1 1 128 128 ASP CA C 13 56.3 0.31 . 1 . . . . . . . . 6275 1 1445 . 1 1 128 128 ASP CB C 13 40.7 0.31 . 1 . . . . . . . . 6275 1 1446 . 1 1 128 128 ASP N N 15 128.4 0.14 . 1 . . . . . . . . 6275 1 1447 . 1 1 129 129 GLY H H 1 8.71 0.015 . 5 . . . . . . . . 6275 1 1448 . 1 1 129 129 GLY HA2 H 1 4.08 0.02 . 2 . . . . . . . . 6275 1 1449 . 1 1 129 129 GLY HA3 H 1 3.67 0.02 . 2 . . . . . . . . 6275 1 1450 . 1 1 129 129 GLY C C 13 173.8 0.08 . 5 . . . . . . . . 6275 1 1451 . 1 1 129 129 GLY CA C 13 45.7 0.31 . 5 . . . . . . . . 6275 1 1452 . 1 1 129 129 GLY N N 15 112.4 0.14 . 5 . . . . . . . . 6275 1 1453 . 1 1 130 130 CYS H H 1 7.86 0.015 . 1 . . . . . . . . 6275 1 1454 . 1 1 130 130 CYS HA H 1 4.53 0.015 . 1 . . . . . . . . 6275 1 1455 . 1 1 130 130 CYS HB2 H 1 3.20 0.02 . 1 . . . . . . . . 6275 1 1456 . 1 1 130 130 CYS HB3 H 1 2.78 0.02 . 1 . . . . . . . . 6275 1 1457 . 1 1 130 130 CYS C C 13 176.0 0.08 . 1 . . . . . . . . 6275 1 1458 . 1 1 130 130 CYS CA C 13 60.8 0.31 . 1 . . . . . . . . 6275 1 1459 . 1 1 130 130 CYS CB C 13 29.5 0.31 . 1 . . . . . . . . 6275 1 1460 . 1 1 130 130 CYS N N 15 122.6 0.14 . 1 . . . . . . . . 6275 1 1461 . 1 1 131 131 GLY H H 1 8.45 0.015 . 5 . . . . . . . . 6275 1 1462 . 1 1 131 131 GLY HA2 H 1 3.96 0.015 . 5 . . . . . . . . 6275 1 1463 . 1 1 131 131 GLY C C 13 174.5 0.08 . 5 . . . . . . . . 6275 1 1464 . 1 1 131 131 GLY CA C 13 45.8 0.31 . 5 . . . . . . . . 6275 1 1465 . 1 1 131 131 GLY N N 15 105.9 0.14 . 5 . . . . . . . . 6275 1 1466 . 1 1 132 132 LYS H H 1 8.02 0.015 . 1 . . . . . . . . 6275 1 1467 . 1 1 132 132 LYS HA H 1 3.91 0.015 . 1 . . . . . . . . 6275 1 1468 . 1 1 132 132 LYS HB2 H 1 1.27 0.02 . 1 . . . . . . . . 6275 1 1469 . 1 1 132 132 LYS HB3 H 1 1.17 0.02 . 1 . . . . . . . . 6275 1 1470 . 1 1 132 132 LYS HG2 H 1 1.45 0.02 . 1 . . . . . . . . 6275 1 1471 . 1 1 132 132 LYS HG3 H 1 1.45 0.02 . 1 . . . . . . . . 6275 1 1472 . 1 1 132 132 LYS HD2 H 1 1.46 0.02 . 1 . . . . . . . . 6275 1 1473 . 1 1 132 132 LYS HD3 H 1 1.46 0.02 . 1 . . . . . . . . 6275 1 1474 . 1 1 132 132 LYS HE2 H 1 2.96 0.02 . 1 . . . . . . . . 6275 1 1475 . 1 1 132 132 LYS HE3 H 1 2.96 0.02 . 1 . . . . . . . . 6275 1 1476 . 1 1 132 132 LYS C C 13 174.0 0.08 . 1 . . . . . . . . 6275 1 1477 . 1 1 132 132 LYS CA C 13 57.6 0.31 . 1 . . . . . . . . 6275 1 1478 . 1 1 132 132 LYS CB C 13 33.5 0.31 . 1 . . . . . . . . 6275 1 1479 . 1 1 132 132 LYS CG C 13 25.6 0.31 . 1 . . . . . . . . 6275 1 1480 . 1 1 132 132 LYS CD C 13 29.0 0.31 . 1 . . . . . . . . 6275 1 1481 . 1 1 132 132 LYS CE C 13 42.0 0.31 . 1 . . . . . . . . 6275 1 1482 . 1 1 132 132 LYS N N 15 121.9 0.14 . 1 . . . . . . . . 6275 1 1483 . 1 1 133 133 ALA H H 1 7.55 0.015 . 1 . . . . . . . . 6275 1 1484 . 1 1 133 133 ALA HA H 1 5.00 0.015 . 1 . . . . . . . . 6275 1 1485 . 1 1 133 133 ALA HB1 H 1 1.17 0.02 . 1 . . . . . . . . 6275 1 1486 . 1 1 133 133 ALA HB2 H 1 1.17 0.02 . 1 . . . . . . . . 6275 1 1487 . 1 1 133 133 ALA HB3 H 1 1.17 0.02 . 1 . . . . . . . . 6275 1 1488 . 1 1 133 133 ALA C C 13 175.6 0.08 . 1 . . . . . . . . 6275 1 1489 . 1 1 133 133 ALA CA C 13 50.4 0.31 . 1 . . . . . . . . 6275 1 1490 . 1 1 133 133 ALA CB C 13 22.6 0.31 . 1 . . . . . . . . 6275 1 1491 . 1 1 133 133 ALA N N 15 122.3 0.14 . 1 . . . . . . . . 6275 1 1492 . 1 1 134 134 PHE H H 1 8.69 0.015 . 1 . . . . . . . . 6275 1 1493 . 1 1 134 134 PHE HA H 1 4.72 0.015 . 1 . . . . . . . . 6275 1 1494 . 1 1 134 134 PHE HB2 H 1 3.46 0.02 . 1 . . . . . . . . 6275 1 1495 . 1 1 134 134 PHE HB3 H 1 2.73 0.02 . 1 . . . . . . . . 6275 1 1496 . 1 1 134 134 PHE HD1 H 1 7.18 0.02 . 1 . . . . . . . . 6275 1 1497 . 1 1 134 134 PHE HD2 H 1 7.18 0.02 . 1 . . . . . . . . 6275 1 1498 . 1 1 134 134 PHE HE1 H 1 7.06 0.02 . 1 . . . . . . . . 6275 1 1499 . 1 1 134 134 PHE HE2 H 1 7.06 0.02 . 1 . . . . . . . . 6275 1 1500 . 1 1 134 134 PHE C C 13 174.8 0.08 . 1 . . . . . . . . 6275 1 1501 . 1 1 134 134 PHE CA C 13 57.2 0.31 . 1 . . . . . . . . 6275 1 1502 . 1 1 134 134 PHE CB C 13 44.2 0.31 . 1 . . . . . . . . 6275 1 1503 . 1 1 134 134 PHE CD1 C 13 132.9 0.31 . 1 . . . . . . . . 6275 1 1504 . 1 1 134 134 PHE CE1 C 13 132.9 0.31 . 1 . . . . . . . . 6275 1 1505 . 1 1 134 134 PHE N N 15 115.9 0.14 . 1 . . . . . . . . 6275 1 1506 . 1 1 135 135 ALA H H 1 9.39 0.015 . 1 . . . . . . . . 6275 1 1507 . 1 1 135 135 ALA C C 13 176.5 0.08 . 1 . . . . . . . . 6275 1 1508 . 1 1 135 135 ALA CA C 13 53.3 0.31 . 1 . . . . . . . . 6275 1 1509 . 1 1 135 135 ALA CB C 13 20.2 0.31 . 1 . . . . . . . . 6275 1 1510 . 1 1 135 135 ALA N N 15 122.4 0.14 . 1 . . . . . . . . 6275 1 1511 . 1 1 136 136 ALA H H 1 7.39 0.015 . 1 . . . . . . . . 6275 1 1512 . 1 1 136 136 ALA HA H 1 4.58 0.015 . 1 . . . . . . . . 6275 1 1513 . 1 1 136 136 ALA HB1 H 1 0.93 0.02 . 1 . . . . . . . . 6275 1 1514 . 1 1 136 136 ALA HB2 H 1 0.93 0.02 . 1 . . . . . . . . 6275 1 1515 . 1 1 136 136 ALA HB3 H 1 0.93 0.02 . 1 . . . . . . . . 6275 1 1516 . 1 1 136 136 ALA C C 13 177.3 0.08 . 1 . . . . . . . . 6275 1 1517 . 1 1 136 136 ALA CA C 13 50.4 0.31 . 1 . . . . . . . . 6275 1 1518 . 1 1 136 136 ALA CB C 13 21.8 0.31 . 1 . . . . . . . . 6275 1 1519 . 1 1 136 136 ALA N N 15 116.8 0.14 . 1 . . . . . . . . 6275 1 1520 . 1 1 137 137 SER C C 13 173.2 0.08 . 1 . . . . . . . . 6275 1 1521 . 1 1 137 137 SER CA C 13 58.3 0.31 . 1 . . . . . . . . 6275 1 1522 . 1 1 137 137 SER CB C 13 63.7 0.31 . 1 . . . . . . . . 6275 1 1523 . 1 1 138 138 HIS H H 1 8.09 0.015 . 1 . . . . . . . . 6275 1 1524 . 1 1 138 138 HIS HA H 1 4.43 0.015 . 1 . . . . . . . . 6275 1 1525 . 1 1 138 138 HIS HB2 H 1 3.20 0.02 . 1 . . . . . . . . 6275 1 1526 . 1 1 138 138 HIS HB3 H 1 2.67 0.02 . 1 . . . . . . . . 6275 1 1527 . 1 1 138 138 HIS HE1 H 1 7.47 0.02 . 1 . . . . . . . . 6275 1 1528 . 1 1 138 138 HIS C C 13 177.5 0.08 . 1 . . . . . . . . 6275 1 1529 . 1 1 138 138 HIS CA C 13 59.0 0.31 . 1 . . . . . . . . 6275 1 1530 . 1 1 138 138 HIS CB C 13 29.5 0.31 . 1 . . . . . . . . 6275 1 1531 . 1 1 138 138 HIS CE1 C 13 139.4 0.31 . 1 . . . . . . . . 6275 1 1532 . 1 1 138 138 HIS N N 15 124.0 0.14 . 1 . . . . . . . . 6275 1 1533 . 1 1 139 139 HIS H H 1 6.22 0.015 . 1 . . . . . . . . 6275 1 1534 . 1 1 139 139 HIS HA H 1 4.32 0.015 . 1 . . . . . . . . 6275 1 1535 . 1 1 139 139 HIS HB2 H 1 3.05 0.02 . 1 . . . . . . . . 6275 1 1536 . 1 1 139 139 HIS HB3 H 1 2.99 0.02 . 1 . . . . . . . . 6275 1 1537 . 1 1 139 139 HIS HE1 H 1 7.79 0.02 . 1 . . . . . . . . 6275 1 1538 . 1 1 139 139 HIS C C 13 178.2 0.08 . 1 . . . . . . . . 6275 1 1539 . 1 1 139 139 HIS CA C 13 57.1 0.31 . 1 . . . . . . . . 6275 1 1540 . 1 1 139 139 HIS CB C 13 31.5 0.31 . 1 . . . . . . . . 6275 1 1541 . 1 1 139 139 HIS CE1 C 13 139.4 0.02 . 1 . . . . . . . . 6275 1 1542 . 1 1 139 139 HIS N N 15 118.90 0.14 . 1 . . . . . . . . 6275 1 1543 . 1 1 140 140 LEU H H 1 6.83 0.015 . 1 . . . . . . . . 6275 1 1544 . 1 1 140 140 LEU HA H 1 3.40 0.015 . 1 . . . . . . . . 6275 1 1545 . 1 1 140 140 LEU HB2 H 1 1.98 0.02 . 1 . . . . . . . . 6275 1 1546 . 1 1 140 140 LEU HB3 H 1 1.50 0.02 . 1 . . . . . . . . 6275 1 1547 . 1 1 140 140 LEU HG H 1 1.61 0.02 . 1 . . . . . . . . 6275 1 1548 . 1 1 140 140 LEU HD11 H 1 1.14 0.02 . 1 . . . . . . . . 6275 1 1549 . 1 1 140 140 LEU HD12 H 1 1.14 0.02 . 1 . . . . . . . . 6275 1 1550 . 1 1 140 140 LEU HD13 H 1 1.14 0.02 . 1 . . . . . . . . 6275 1 1551 . 1 1 140 140 LEU HD21 H 1 1.0 0.02 . 1 . . . . . . . . 6275 1 1552 . 1 1 140 140 LEU HD22 H 1 1.0 0.02 . 1 . . . . . . . . 6275 1 1553 . 1 1 140 140 LEU HD23 H 1 1.0 0.02 . 1 . . . . . . . . 6275 1 1554 . 1 1 140 140 LEU C C 13 177.1 0.08 . 1 . . . . . . . . 6275 1 1555 . 1 1 140 140 LEU CA C 13 57.8 0.31 . 1 . . . . . . . . 6275 1 1556 . 1 1 140 140 LEU CB C 13 40.6 0.31 . 1 . . . . . . . . 6275 1 1557 . 1 1 140 140 LEU CG C 13 27.1 0.31 . 1 . . . . . . . . 6275 1 1558 . 1 1 140 140 LEU CD1 C 13 22.8 0.31 . 1 . . . . . . . . 6275 1 1559 . 1 1 140 140 LEU CD2 C 13 22.8 0.31 . 1 . . . . . . . . 6275 1 1560 . 1 1 140 140 LEU N N 15 120.5 0.14 . 1 . . . . . . . . 6275 1 1561 . 1 1 141 141 LYS H H 1 7.96 0.015 . 1 . . . . . . . . 6275 1 1562 . 1 1 141 141 LYS HA H 1 3.85 0.015 . 1 . . . . . . . . 6275 1 1563 . 1 1 141 141 LYS HB2 H 1 1.77 0.02 . 1 . . . . . . . . 6275 1 1564 . 1 1 141 141 LYS HB3 H 1 1.55 0.02 . 1 . . . . . . . . 6275 1 1565 . 1 1 141 141 LYS HG2 H 1 1.29 0.02 . 1 . . . . . . . . 6275 1 1566 . 1 1 141 141 LYS HG3 H 1 1.44 0.02 . 1 . . . . . . . . 6275 1 1567 . 1 1 141 141 LYS HD2 H 1 1.61 0.02 . 1 . . . . . . . . 6275 1 1568 . 1 1 141 141 LYS HD3 H 1 1.61 0.02 . 1 . . . . . . . . 6275 1 1569 . 1 1 141 141 LYS HE2 H 1 2.88 0.02 . 1 . . . . . . . . 6275 1 1570 . 1 1 141 141 LYS HE3 H 1 2.88 0.02 . 1 . . . . . . . . 6275 1 1571 . 1 1 141 141 LYS C C 13 179.0 0.08 . 1 . . . . . . . . 6275 1 1572 . 1 1 141 141 LYS CA C 13 59.8 0.31 . 1 . . . . . . . . 6275 1 1573 . 1 1 141 141 LYS CB C 13 32.2 0.31 . 1 . . . . . . . . 6275 1 1574 . 1 1 141 141 LYS CG C 13 25.2 0.31 . 1 . . . . . . . . 6275 1 1575 . 1 1 141 141 LYS CD C 13 29.0 0.31 . 1 . . . . . . . . 6275 1 1576 . 1 1 141 141 LYS CE C 13 42.0 0.31 . 1 . . . . . . . . 6275 1 1577 . 1 1 141 141 LYS N N 15 118.6 0.14 . 1 . . . . . . . . 6275 1 1578 . 1 1 142 142 THR H H 1 7.60 0.015 . 1 . . . . . . . . 6275 1 1579 . 1 1 142 142 THR HA H 1 3.78 0.015 . 1 . . . . . . . . 6275 1 1580 . 1 1 142 142 THR HB H 1 4.03 0.02 . 1 . . . . . . . . 6275 1 1581 . 1 1 142 142 THR HG21 H 1 1.15 0.02 . 1 . . . . . . . . 6275 1 1582 . 1 1 142 142 THR HG22 H 1 1.15 0.02 . 1 . . . . . . . . 6275 1 1583 . 1 1 142 142 THR HG23 H 1 1.15 0.02 . 1 . . . . . . . . 6275 1 1584 . 1 1 142 142 THR C C 13 176.1 0.08 . 1 . . . . . . . . 6275 1 1585 . 1 1 142 142 THR CA C 13 66.0 0.31 . 1 . . . . . . . . 6275 1 1586 . 1 1 142 142 THR CB C 13 68.6 0.31 . 1 . . . . . . . . 6275 1 1587 . 1 1 142 142 THR CG2 C 13 21.4 0.31 . 1 . . . . . . . . 6275 1 1588 . 1 1 142 142 THR N N 15 113.7 0.14 . 1 . . . . . . . . 6275 1 1589 . 1 1 143 143 HIS H H 1 7.51 0.015 . 1 . . . . . . . . 6275 1 1590 . 1 1 143 143 HIS HA H 1 4.19 0.015 . 1 . . . . . . . . 6275 1 1591 . 1 1 143 143 HIS HB2 H 1 3.05 0.02 . 1 . . . . . . . . 6275 1 1592 . 1 1 143 143 HIS HB3 H 1 2.79 0.02 . 1 . . . . . . . . 6275 1 1593 . 1 1 143 143 HIS HD2 H 1 6.32 0.02 . 1 . . . . . . . . 6275 1 1594 . 1 1 143 143 HIS C C 13 178.3 0.08 . 1 . . . . . . . . 6275 1 1595 . 1 1 143 143 HIS CA C 13 59.4 0.31 . 1 . . . . . . . . 6275 1 1596 . 1 1 143 143 HIS CB C 13 28.9 0.31 . 1 . . . . . . . . 6275 1 1597 . 1 1 143 143 HIS CD2 C 13 127.2 0.31 . 1 . . . . . . . . 6275 1 1598 . 1 1 143 143 HIS N N 15 121.0 0.14 . 1 . . . . . . . . 6275 1 1599 . 1 1 144 144 VAL H H 1 8.80 0.015 . 1 . . . . . . . . 6275 1 1600 . 1 1 144 144 VAL HA H 1 3.46 0.02 . 1 . . . . . . . . 6275 1 1601 . 1 1 144 144 VAL HB H 1 2.28 0.02 . 1 . . . . . . . . 6275 1 1602 . 1 1 144 144 VAL HG11 H 1 1.25 0.02 . 1 . . . . . . . . 6275 1 1603 . 1 1 144 144 VAL HG12 H 1 1.25 0.02 . 1 . . . . . . . . 6275 1 1604 . 1 1 144 144 VAL HG13 H 1 1.25 0.02 . 1 . . . . . . . . 6275 1 1605 . 1 1 144 144 VAL HG21 H 1 1.25 0.02 . 1 . . . . . . . . 6275 1 1606 . 1 1 144 144 VAL HG22 H 1 1.25 0.02 . 1 . . . . . . . . 6275 1 1607 . 1 1 144 144 VAL HG23 H 1 1.25 0.02 . 1 . . . . . . . . 6275 1 1608 . 1 1 144 144 VAL C C 13 177.7 0.08 . 1 . . . . . . . . 6275 1 1609 . 1 1 144 144 VAL CA C 13 66.6 0.31 . 1 . . . . . . . . 6275 1 1610 . 1 1 144 144 VAL CB C 13 31.6 0.31 . 1 . . . . . . . . 6275 1 1611 . 1 1 144 144 VAL CG1 C 13 22.1 0.31 . 1 . . . . . . . . 6275 1 1612 . 1 1 144 144 VAL N N 15 119.1 0.14 . 1 . . . . . . . . 6275 1 1613 . 1 1 145 145 ARG H H 1 6.95 0.015 . 1 . . . . . . . . 6275 1 1614 . 1 1 145 145 ARG HA H 1 4.11 0.015 . 1 . . . . . . . . 6275 1 1615 . 1 1 145 145 ARG HB2 H 1 1.87 0.02 . 1 . . . . . . . . 6275 1 1616 . 1 1 145 145 ARG HB3 H 1 1.79 0.02 . 1 . . . . . . . . 6275 1 1617 . 1 1 145 145 ARG HG2 H 1 1.63 0.02 . 1 . . . . . . . . 6275 1 1618 . 1 1 145 145 ARG HG3 H 1 1.63 0.02 . 1 . . . . . . . . 6275 1 1619 . 1 1 145 145 ARG HD2 H 1 3.15 0.02 . 1 . . . . . . . . 6275 1 1620 . 1 1 145 145 ARG HD3 H 1 3.15 0.02 . 1 . . . . . . . . 6275 1 1621 . 1 1 145 145 ARG C C 13 178.1 0.08 . 1 . . . . . . . . 6275 1 1622 . 1 1 145 145 ARG CA C 13 58.2 0.31 . 1 . . . . . . . . 6275 1 1623 . 1 1 145 145 ARG CB C 13 30.0 0.31 . 1 . . . . . . . . 6275 1 1624 . 1 1 145 145 ARG CG C 13 27.5 0.31 . 1 . . . . . . . . 6275 1 1625 . 1 1 145 145 ARG CD C 13 43.7 0.31 . 1 . . . . . . . . 6275 1 1626 . 1 1 145 145 ARG N N 15 118.3 0.14 . 1 . . . . . . . . 6275 1 1627 . 1 1 146 146 THR H H 1 7.76 0.015 . 5 . . . . . . . . 6275 1 1628 . 1 1 146 146 THR HA H 1 4.06 0.015 . 5 . . . . . . . . 6275 1 1629 . 1 1 146 146 THR HB H 1 3.93 0.02 . 1 . . . . . . . . 6275 1 1630 . 1 1 146 146 THR HG21 H 1 1.07 0.02 . 1 . . . . . . . . 6275 1 1631 . 1 1 146 146 THR HG22 H 1 1.07 0.02 . 1 . . . . . . . . 6275 1 1632 . 1 1 146 146 THR HG23 H 1 1.07 0.02 . 1 . . . . . . . . 6275 1 1633 . 1 1 146 146 THR C C 13 175.7 0.08 . 5 . . . . . . . . 6275 1 1634 . 1 1 146 146 THR CA C 13 63.9 0.31 . 5 . . . . . . . . 6275 1 1635 . 1 1 146 146 THR CB C 13 69.2 0.31 . 5 . . . . . . . . 6275 1 1636 . 1 1 146 146 THR CG2 C 13 20.9 0.31 . 1 . . . . . . . . 6275 1 1637 . 1 1 146 146 THR N N 15 110.0 0.14 . 5 . . . . . . . . 6275 1 1638 . 1 1 147 147 HIS H H 1 7.16 0.015 . 1 . . . . . . . . 6275 1 1639 . 1 1 147 147 HIS HA H 1 4.58 0.015 . 1 . . . . . . . . 6275 1 1640 . 1 1 147 147 HIS HB2 H 1 3.07 0.02 . 1 . . . . . . . . 6275 1 1641 . 1 1 147 147 HIS HB3 H 1 2.88 0.02 . 1 . . . . . . . . 6275 1 1642 . 1 1 147 147 HIS HD2 H 1 6.32 0.02 . 1 . . . . . . . . 6275 1 1643 . 1 1 147 147 HIS C C 13 175.6 0.08 . 1 . . . . . . . . 6275 1 1644 . 1 1 147 147 HIS CA C 13 55.8 0.31 . 1 . . . . . . . . 6275 1 1645 . 1 1 147 147 HIS CB C 13 28.4 0.31 . 1 . . . . . . . . 6275 1 1646 . 1 1 147 147 HIS CD2 C 13 127.2 0.31 . 1 . . . . . . . . 6275 1 1647 . 1 1 147 147 HIS N N 15 118.5 0.14 . 1 . . . . . . . . 6275 1 1648 . 1 1 148 148 THR H H 1 7.64 0.015 . 1 . . . . . . . . 6275 1 1649 . 1 1 148 148 THR HA H 1 4.32 0.015 . 1 . . . . . . . . 6275 1 1650 . 1 1 148 148 THR HB H 1 4.22 0.02 . 1 . . . . . . . . 6275 1 1651 . 1 1 148 148 THR HG21 H 1 1.17 0.02 . 1 . . . . . . . . 6275 1 1652 . 1 1 148 148 THR HG22 H 1 1.17 0.02 . 1 . . . . . . . . 6275 1 1653 . 1 1 148 148 THR HG23 H 1 1.17 0.02 . 1 . . . . . . . . 6275 1 1654 . 1 1 148 148 THR C C 13 175.2 0.08 . 1 . . . . . . . . 6275 1 1655 . 1 1 148 148 THR CA C 13 62.3 0.31 . 1 . . . . . . . . 6275 1 1656 . 1 1 148 148 THR CB C 13 69.6 0.31 . 1 . . . . . . . . 6275 1 1657 . 1 1 148 148 THR CG2 C 13 21.5 0.31 . 1 . . . . . . . . 6275 1 1658 . 1 1 148 148 THR N N 15 112.5 0.14 . 1 . . . . . . . . 6275 1 1659 . 1 1 149 149 GLY H H 1 8.28 0.015 . 5 . . . . . . . . 6275 1 1660 . 1 1 149 149 GLY HA2 H 1 3.90 0.02 . 1 . . . . . . . . 6275 1 1661 . 1 1 149 149 GLY C C 13 174.1 0.08 . 5 . . . . . . . . 6275 1 1662 . 1 1 149 149 GLY CA C 13 45.4 0.31 . 5 . . . . . . . . 6275 1 1663 . 1 1 149 149 GLY N N 15 110.8 0.14 . 5 . . . . . . . . 6275 1 1664 . 1 1 150 150 GLU H H 1 8.08 0.015 . 1 . . . . . . . . 6275 1 1665 . 1 1 150 150 GLU HA H 1 4.17 0.015 . 1 . . . . . . . . 6275 1 1666 . 1 1 150 150 GLU HB2 H 1 1.96 0.02 . 1 . . . . . . . . 6275 1 1667 . 1 1 150 150 GLU HB3 H 1 1.76 0.02 . 1 . . . . . . . . 6275 1 1668 . 1 1 150 150 GLU HG2 H 1 2.24 0.02 . 1 . . . . . . . . 6275 1 1669 . 1 1 150 150 GLU HG3 H 1 2.24 0.02 . 1 . . . . . . . . 6275 1 1670 . 1 1 150 150 GLU C C 13 176.4 0.08 . 1 . . . . . . . . 6275 1 1671 . 1 1 150 150 GLU CA C 13 57.0 0.31 . 1 . . . . . . . . 6275 1 1672 . 1 1 150 150 GLU CB C 13 30.5 0.31 . 1 . . . . . . . . 6275 1 1673 . 1 1 150 150 GLU CG C 13 36.5 0.31 . 1 . . . . . . . . 6275 1 1674 . 1 1 150 150 GLU N N 15 119.9 0.14 . 1 . . . . . . . . 6275 1 1675 . 1 1 151 151 ARG H H 1 8.25 0.015 . 1 . . . . . . . . 6275 1 1676 . 1 1 151 151 ARG HA H 1 4.48 0.015 . 1 . . . . . . . . 6275 1 1677 . 1 1 151 151 ARG HB2 H 1 1.53 0.02 . 1 . . . . . . . . 6275 1 1678 . 1 1 151 151 ARG HB3 H 1 1.35 0.02 . 1 . . . . . . . . 6275 1 1679 . 1 1 151 151 ARG HG2 H 1 1.46 0.02 . 1 . . . . . . . . 6275 1 1680 . 1 1 151 151 ARG HG3 H 1 1.46 0.02 . 1 . . . . . . . . 6275 1 1681 . 1 1 151 151 ARG HD2 H 1 3.10 0.02 . 1 . . . . . . . . 6275 1 1682 . 1 1 151 151 ARG HD3 H 1 3.10 0.02 . 1 . . . . . . . . 6275 1 1683 . 1 1 151 151 ARG C C 13 174.0 0.08 . 1 . . . . . . . . 6275 1 1684 . 1 1 151 151 ARG CA C 13 45.0 0.31 . 1 . . . . . . . . 6275 1 1685 . 1 1 151 151 ARG CB C 13 33.1 0.31 . 1 . . . . . . . . 6275 1 1686 . 1 1 151 151 ARG CG C 13 27.5 0.31 . 1 . . . . . . . . 6275 1 1687 . 1 1 151 151 ARG CD C 13 43.7 0.31 . 1 . . . . . . . . 6275 1 1688 . 1 1 151 151 ARG N N 15 121.2 0.14 . 1 . . . . . . . . 6275 1 1689 . 1 1 152 152 PRO C C 13 175.9 0.08 . 1 . . . . . . . . 6275 1 1690 . 1 1 152 152 PRO CA C 13 63.5 0.31 . 1 . . . . . . . . 6275 1 1691 . 1 1 152 152 PRO CB C 13 32.3 0.31 . 1 . . . . . . . . 6275 1 1692 . 1 1 153 153 PHE H H 1 7.98 0.015 . 1 . . . . . . . . 6275 1 1693 . 1 1 153 153 PHE HA H 1 4.68 0.015 . 1 . . . . . . . . 6275 1 1694 . 1 1 153 153 PHE HB2 H 1 2.98 0.02 . 1 . . . . . . . . 6275 1 1695 . 1 1 153 153 PHE HB3 H 1 2.85 0.02 . 1 . . . . . . . . 6275 1 1696 . 1 1 153 153 PHE HD1 H 1 7.06 0.02 . 1 . . . . . . . . 6275 1 1697 . 1 1 153 153 PHE HD2 H 1 7.06 0.02 . 1 . . . . . . . . 6275 1 1698 . 1 1 153 153 PHE HE1 H 1 7.17 0.02 . 1 . . . . . . . . 6275 1 1699 . 1 1 153 153 PHE HE2 H 1 7.17 0.02 . 1 . . . . . . . . 6275 1 1700 . 1 1 153 153 PHE C C 13 174.7 0.08 . 1 . . . . . . . . 6275 1 1701 . 1 1 153 153 PHE CA C 13 57.2 0.31 . 1 . . . . . . . . 6275 1 1702 . 1 1 153 153 PHE CB C 13 39.5 0.31 . 1 . . . . . . . . 6275 1 1703 . 1 1 153 153 PHE CD1 C 13 127.6 0.31 . 1 . . . . . . . . 6275 1 1704 . 1 1 153 153 PHE CD2 C 13 127.6 0.31 . 1 . . . . . . . . 6275 1 1705 . 1 1 153 153 PHE CE1 C 13 132.9 0.31 . 1 . . . . . . . . 6275 1 1706 . 1 1 153 153 PHE CE2 C 13 132.9 0.31 . 1 . . . . . . . . 6275 1 1707 . 1 1 153 153 PHE N N 15 117.5 0.14 . 1 . . . . . . . . 6275 1 1708 . 1 1 154 154 PHE H H 1 8.32 0.015 . 1 . . . . . . . . 6275 1 1709 . 1 1 154 154 PHE HA H 1 4.93 0.015 . 1 . . . . . . . . 6275 1 1710 . 1 1 154 154 PHE HB2 H 1 2.99 0.02 . 1 . . . . . . . . 6275 1 1711 . 1 1 154 154 PHE HB3 H 1 2.97 0.02 . 1 . . . . . . . . 6275 1 1712 . 1 1 154 154 PHE HD1 H 1 7.15 0.02 . 1 . . . . . . . . 6275 1 1713 . 1 1 154 154 PHE HD2 H 1 7.15 0.02 . 1 . . . . . . . . 6275 1 1714 . 1 1 154 154 PHE HE1 H 1 7.26 0.02 . 1 . . . . . . . . 6275 1 1715 . 1 1 154 154 PHE HE2 H 1 7.26 0.02 . 1 . . . . . . . . 6275 1 1716 . 1 1 154 154 PHE C C 13 174.0 0.08 . 1 . . . . . . . . 6275 1 1717 . 1 1 154 154 PHE CA C 13 55.8 0.31 . 1 . . . . . . . . 6275 1 1718 . 1 1 154 154 PHE CB C 13 40.8 0.31 . 1 . . . . . . . . 6275 1 1719 . 1 1 154 154 PHE CD1 C 13 128.5 0.31 . 1 . . . . . . . . 6275 1 1720 . 1 1 154 154 PHE CD2 C 13 128.5 0.31 . 1 . . . . . . . . 6275 1 1721 . 1 1 154 154 PHE CE1 C 13 131.7 0.31 . 1 . . . . . . . . 6275 1 1722 . 1 1 154 154 PHE CE2 C 13 131.7 0.31 . 1 . . . . . . . . 6275 1 1723 . 1 1 154 154 PHE N N 15 122.6 0.14 . 1 . . . . . . . . 6275 1 1724 . 1 1 155 155 CYS H H 1 8.41 0.015 . 1 . . . . . . . . 6275 1 1725 . 1 1 155 155 CYS HA H 1 4.73 0.015 . 1 . . . . . . . . 6275 1 1726 . 1 1 155 155 CYS HB2 H 1 3.15 0.02 . 1 . . . . . . . . 6275 1 1727 . 1 1 155 155 CYS HB3 H 1 2.86 0.02 . 1 . . . . . . . . 6275 1 1728 . 1 1 155 155 CYS CA C 13 57.6 0.08 . 1 . . . . . . . . 6275 1 1729 . 1 1 155 155 CYS CB C 13 30.7 0.31 . 1 . . . . . . . . 6275 1 1730 . 1 1 155 155 CYS N N 15 125.6 0.14 . 1 . . . . . . . . 6275 1 1731 . 1 1 156 156 PRO C C 13 177.1 0.08 . 1 . . . . . . . . 6275 1 1732 . 1 1 156 156 PRO CA C 13 63.2 0.31 . 1 . . . . . . . . 6275 1 1733 . 1 1 156 156 PRO CB C 13 32.4 0.31 . 1 . . . . . . . . 6275 1 1734 . 1 1 157 157 SER H H 1 8.76 0.015 . 1 . . . . . . . . 6275 1 1735 . 1 1 157 157 SER HA H 1 4.06 0.015 . 1 . . . . . . . . 6275 1 1736 . 1 1 157 157 SER HB2 H 1 3.35 0.02 . 2 . . . . . . . . 6275 1 1737 . 1 1 157 157 SER HB3 H 1 3.17 0.02 . 2 . . . . . . . . 6275 1 1738 . 1 1 157 157 SER C C 13 175.6 0.08 . 1 . . . . . . . . 6275 1 1739 . 1 1 157 157 SER CA C 13 60.0 0.31 . 1 . . . . . . . . 6275 1 1740 . 1 1 157 157 SER CB C 13 63.3 0.31 . 1 . . . . . . . . 6275 1 1741 . 1 1 157 157 SER N N 15 121.2 0.14 . 1 . . . . . . . . 6275 1 1742 . 1 1 158 158 ASN HA H 1 4.37 0.02 . 1 . . . . . . . . 6275 1 1743 . 1 1 158 158 ASN HB2 H 1 2.72 0.02 . 2 . . . . . . . . 6275 1 1744 . 1 1 158 158 ASN HB3 H 1 2.70 0.02 . 2 . . . . . . . . 6275 1 1745 . 1 1 158 158 ASN C C 13 176.9 0.08 . 1 . . . . . . . . 6275 1 1746 . 1 1 158 158 ASN CA C 13 55.5 0.31 . 1 . . . . . . . . 6275 1 1747 . 1 1 158 158 ASN CB C 13 38.6 0.31 . 1 . . . . . . . . 6275 1 1748 . 1 1 159 159 GLY H H 1 9.04 0.015 . 5 . . . . . . . . 6275 1 1749 . 1 1 159 159 GLY HA2 H 1 4.13 0.02 . 2 . . . . . . . . 6275 1 1750 . 1 1 159 159 GLY HA3 H 1 3.72 0.02 . 2 . . . . . . . . 6275 1 1751 . 1 1 159 159 GLY C C 13 173.1 0.08 . 5 . . . . . . . . 6275 1 1752 . 1 1 159 159 GLY CA C 13 45.4 0.31 . 5 . . . . . . . . 6275 1 1753 . 1 1 159 159 GLY N N 15 114.4 0.14 . 5 . . . . . . . . 6275 1 1754 . 1 1 160 160 CYS H H 1 7.88 0.015 . 1 . . . . . . . . 6275 1 1755 . 1 1 160 160 CYS HA H 1 4.48 0.015 . 1 . . . . . . . . 6275 1 1756 . 1 1 160 160 CYS HB2 H 1 3.15 0.02 . 1 . . . . . . . . 6275 1 1757 . 1 1 160 160 CYS HB3 H 1 2.76 0.02 . 1 . . . . . . . . 6275 1 1758 . 1 1 160 160 CYS C C 13 175.5 0.08 . 1 . . . . . . . . 6275 1 1759 . 1 1 160 160 CYS CA C 13 60.8 0.31 . 1 . . . . . . . . 6275 1 1760 . 1 1 160 160 CYS CB C 13 30.4 0.31 . 1 . . . . . . . . 6275 1 1761 . 1 1 160 160 CYS N N 15 123.7 0.14 . 1 . . . . . . . . 6275 1 1762 . 1 1 161 161 GLU C C 13 176.1 0.08 . 1 . . . . . . . . 6275 1 1763 . 1 1 161 161 GLU CA C 13 56.1 0.31 . 1 . . . . . . . . 6275 1 1764 . 1 1 161 161 GLU CB C 13 29.2 0.31 . 1 . . . . . . . . 6275 1 1765 . 1 1 162 162 LYS H H 1 8.01 0.015 . 1 . . . . . . . . 6275 1 1766 . 1 1 162 162 LYS HA H 1 4.07 0.015 . 1 . . . . . . . . 6275 1 1767 . 1 1 162 162 LYS HB2 H 1 1.49 0.02 . 1 . . . . . . . . 6275 1 1768 . 1 1 162 162 LYS HB3 H 1 1.30 0.02 . 2 . . . . . . . . 6275 1 1769 . 1 1 162 162 LYS HG2 H 1 1.35 0.02 . 1 . . . . . . . . 6275 1 1770 . 1 1 162 162 LYS HG3 H 1 1.35 0.02 . 1 . . . . . . . . 6275 1 1771 . 1 1 162 162 LYS HD2 H 1 1.52 0.02 . 1 . . . . . . . . 6275 1 1772 . 1 1 162 162 LYS HD3 H 1 1.52 0.02 . 1 . . . . . . . . 6275 1 1773 . 1 1 162 162 LYS HE2 H 1 2.99 0.02 . 1 . . . . . . . . 6275 1 1774 . 1 1 162 162 LYS HE3 H 1 2.99 0.02 . 1 . . . . . . . . 6275 1 1775 . 1 1 162 162 LYS C C 13 175.2 0.08 . 1 . . . . . . . . 6275 1 1776 . 1 1 162 162 LYS CA C 13 57.3 0.31 . 1 . . . . . . . . 6275 1 1777 . 1 1 162 162 LYS CB C 13 33.6 0.31 . 1 . . . . . . . . 6275 1 1778 . 1 1 162 162 LYS CG C 13 25.6 0.31 . 1 . . . . . . . . 6275 1 1779 . 1 1 162 162 LYS CD C 13 29.0 0.31 . 1 . . . . . . . . 6275 1 1780 . 1 1 162 162 LYS CE C 13 42.0 0.31 . 1 . . . . . . . . 6275 1 1781 . 1 1 162 162 LYS N N 15 121.3 0.14 . 1 . . . . . . . . 6275 1 1782 . 1 1 163 163 THR H H 1 7.33 0.015 . 1 . . . . . . . . 6275 1 1783 . 1 1 163 163 THR HA H 1 4.91 0.015 . 1 . . . . . . . . 6275 1 1784 . 1 1 163 163 THR HB H 1 4.06 0.02 . 1 . . . . . . . . 6275 1 1785 . 1 1 163 163 THR HG21 H 1 0.88 0.02 . 1 . . . . . . . . 6275 1 1786 . 1 1 163 163 THR HG22 H 1 0.88 0.02 . 1 . . . . . . . . 6275 1 1787 . 1 1 163 163 THR HG23 H 1 0.88 0.02 . 1 . . . . . . . . 6275 1 1788 . 1 1 163 163 THR C C 13 173.3 0.08 . 1 . . . . . . . . 6275 1 1789 . 1 1 163 163 THR CA C 13 59.2 0.31 . 1 . . . . . . . . 6275 1 1790 . 1 1 163 163 THR CB C 13 71.5 0.31 . 1 . . . . . . . . 6275 1 1791 . 1 1 163 163 THR CG2 C 13 20.8 0.31 . 1 . . . . . . . . 6275 1 1792 . 1 1 163 163 THR N N 15 110.0 0.14 . 1 . . . . . . . . 6275 1 1793 . 1 1 164 164 PHE H H 1 8.66 0.015 . 1 . . . . . . . . 6275 1 1794 . 1 1 164 164 PHE HA H 1 4.72 0.015 . 1 . . . . . . . . 6275 1 1795 . 1 1 164 164 PHE HB2 H 1 3.46 0.02 . 1 . . . . . . . . 6275 1 1796 . 1 1 164 164 PHE HB3 H 1 2.60 0.02 . 1 . . . . . . . . 6275 1 1797 . 1 1 164 164 PHE HD1 H 1 7.07 0.02 . 1 . . . . . . . . 6275 1 1798 . 1 1 164 164 PHE HD2 H 1 7.07 0.02 . 1 . . . . . . . . 6275 1 1799 . 1 1 164 164 PHE HE1 H 1 7.34 0.02 . 1 . . . . . . . . 6275 1 1800 . 1 1 164 164 PHE HE2 H 1 7.34 0.02 . 1 . . . . . . . . 6275 1 1801 . 1 1 164 164 PHE C C 13 175.5 0.08 . 1 . . . . . . . . 6275 1 1802 . 1 1 164 164 PHE CA C 13 57.6 0.31 . 1 . . . . . . . . 6275 1 1803 . 1 1 164 164 PHE CB C 13 44.4 0.31 . 1 . . . . . . . . 6275 1 1804 . 1 1 164 164 PHE CD1 C 13 131.9 0.31 . 1 . . . . . . . . 6275 1 1805 . 1 1 164 164 PHE CD2 C 13 131.9 0.31 . 1 . . . . . . . . 6275 1 1806 . 1 1 164 164 PHE CE1 C 13 131.9 0.31 . 1 . . . . . . . . 6275 1 1807 . 1 1 164 164 PHE CE2 C 13 131.9 0.31 . 1 . . . . . . . . 6275 1 1808 . 1 1 164 164 PHE N N 15 116.9 0.14 . 1 . . . . . . . . 6275 1 1809 . 1 1 165 165 SER C C 13 174.4 0.08 . 1 . . . . . . . . 6275 1 1810 . 1 1 165 165 SER CA C 13 60.0 0.31 . 1 . . . . . . . . 6275 1 1811 . 1 1 165 165 SER CB C 13 64.2 0.31 . 1 . . . . . . . . 6275 1 1812 . 1 1 166 166 THR H H 1 7.24 0.015 . 1 . . . . . . . . 6275 1 1813 . 1 1 166 166 THR HA H 1 4.74 0.015 . 1 . . . . . . . . 6275 1 1814 . 1 1 166 166 THR HB H 1 4.41 0.02 . 1 . . . . . . . . 6275 1 1815 . 1 1 166 166 THR HG21 H 1 1.27 0.02 . 1 . . . . . . . . 6275 1 1816 . 1 1 166 166 THR HG22 H 1 1.27 0.02 . 1 . . . . . . . . 6275 1 1817 . 1 1 166 166 THR HG23 H 1 1.27 0.02 . 1 . . . . . . . . 6275 1 1818 . 1 1 166 166 THR C C 13 173.5 0.08 . 1 . . . . . . . . 6275 1 1819 . 1 1 166 166 THR CA C 13 58.9 0.31 . 1 . . . . . . . . 6275 1 1820 . 1 1 166 166 THR CB C 13 73.2 0.31 . 1 . . . . . . . . 6275 1 1821 . 1 1 166 166 THR CG2 C 13 21.8 0.31 . 1 . . . . . . . . 6275 1 1822 . 1 1 166 166 THR N N 15 106.9 0.14 . 1 . . . . . . . . 6275 1 1823 . 1 1 167 167 GLN H H 1 8.54 0.015 . 1 . . . . . . . . 6275 1 1824 . 1 1 167 167 GLN C C 13 177.9 0.08 . 1 . . . . . . . . 6275 1 1825 . 1 1 167 167 GLN CA C 13 58.2 0.31 . 1 . . . . . . . . 6275 1 1826 . 1 1 167 167 GLN CB C 13 28.0 0.31 . 1 . . . . . . . . 6275 1 1827 . 1 1 167 167 GLN N N 15 122.0 0.14 . 1 . . . . . . . . 6275 1 1828 . 1 1 168 168 TYR H H 1 8.01 0.015 . 1 . . . . . . . . 6275 1 1829 . 1 1 168 168 TYR HA H 1 4.01 0.015 . 1 . . . . . . . . 6275 1 1830 . 1 1 168 168 TYR HB2 H 1 3.05 0.02 . 1 . . . . . . . . 6275 1 1831 . 1 1 168 168 TYR HB3 H 1 2.86 0.02 . 1 . . . . . . . . 6275 1 1832 . 1 1 168 168 TYR HD1 H 1 7.02 0.02 . 1 . . . . . . . . 6275 1 1833 . 1 1 168 168 TYR HD2 H 1 7.02 0.02 . 1 . . . . . . . . 6275 1 1834 . 1 1 168 168 TYR HE1 H 1 6.78 0.02 . 1 . . . . . . . . 6275 1 1835 . 1 1 168 168 TYR HE2 H 1 6.78 0.02 . 1 . . . . . . . . 6275 1 1836 . 1 1 168 168 TYR C C 13 178.1 0.08 . 1 . . . . . . . . 6275 1 1837 . 1 1 168 168 TYR CA C 13 61.0 0.31 . 1 . . . . . . . . 6275 1 1838 . 1 1 168 168 TYR CB C 13 37.9 0.31 . 1 . . . . . . . . 6275 1 1839 . 1 1 168 168 TYR CD1 C 13 133.5 0.31 . 1 . . . . . . . . 6275 1 1840 . 1 1 168 168 TYR CD2 C 13 133.5 0.31 . 1 . . . . . . . . 6275 1 1841 . 1 1 168 168 TYR CE1 C 13 118.8 0.31 . 1 . . . . . . . . 6275 1 1842 . 1 1 168 168 TYR CE2 C 13 118.8 0.31 . 1 . . . . . . . . 6275 1 1843 . 1 1 168 168 TYR N N 15 118.8 0.14 . 1 . . . . . . . . 6275 1 1844 . 1 1 169 169 SER H H 1 7.82 0.015 . 1 . . . . . . . . 6275 1 1845 . 1 1 169 169 SER C C 13 176.8 0.08 . 1 . . . . . . . . 6275 1 1846 . 1 1 169 169 SER CA C 13 61.3 0.31 . 1 . . . . . . . . 6275 1 1847 . 1 1 169 169 SER CB C 13 62.6 0.31 . 1 . . . . . . . . 6275 1 1848 . 1 1 169 169 SER N N 15 116.4 0.14 . 1 . . . . . . . . 6275 1 1849 . 1 1 170 170 LEU H H 1 7.10 0.015 . 1 . . . . . . . . 6275 1 1850 . 1 1 170 170 LEU HA H 1 2.97 0.015 . 1 . . . . . . . . 6275 1 1851 . 1 1 170 170 LEU HB2 H 1 1.77 0.02 . 1 . . . . . . . . 6275 1 1852 . 1 1 170 170 LEU HB3 H 1 1.14 0.02 . 1 . . . . . . . . 6275 1 1853 . 1 1 170 170 LEU HG H 1 1.37 0.02 . 1 . . . . . . . . 6275 1 1854 . 1 1 170 170 LEU HD11 H 1 0.90 0.02 . 1 . . . . . . . . 6275 1 1855 . 1 1 170 170 LEU HD12 H 1 0.90 0.02 . 1 . . . . . . . . 6275 1 1856 . 1 1 170 170 LEU HD13 H 1 0.90 0.02 . 1 . . . . . . . . 6275 1 1857 . 1 1 170 170 LEU HD21 H 1 0.90 0.02 . 1 . . . . . . . . 6275 1 1858 . 1 1 170 170 LEU HD22 H 1 0.90 0.02 . 1 . . . . . . . . 6275 1 1859 . 1 1 170 170 LEU HD23 H 1 0.90 0.02 . 1 . . . . . . . . 6275 1 1860 . 1 1 170 170 LEU C C 13 177.6 0.08 . 1 . . . . . . . . 6275 1 1861 . 1 1 170 170 LEU CA C 13 57.9 0.31 . 1 . . . . . . . . 6275 1 1862 . 1 1 170 170 LEU CB C 13 40.6 0.31 . 1 . . . . . . . . 6275 1 1863 . 1 1 170 170 LEU CG C 13 27.5 0.31 . 1 . . . . . . . . 6275 1 1864 . 1 1 170 170 LEU CD1 C 13 23.4 0.31 . 1 . . . . . . . . 6275 1 1865 . 1 1 170 170 LEU CD2 C 13 23.4 0.31 . 1 . . . . . . . . 6275 1 1866 . 1 1 170 170 LEU N N 15 124.1 0.14 . 1 . . . . . . . . 6275 1 1867 . 1 1 171 171 LYS H H 1 8.28 0.015 . 1 . . . . . . . . 6275 1 1868 . 1 1 171 171 LYS HA H 1 3.75 0.015 . 1 . . . . . . . . 6275 1 1869 . 1 1 171 171 LYS HB2 H 1 1.71 0.02 . 1 . . . . . . . . 6275 1 1870 . 1 1 171 171 LYS HB3 H 1 1.56 0.02 . 1 . . . . . . . . 6275 1 1871 . 1 1 171 171 LYS HG2 H 1 1.44 0.02 . 1 . . . . . . . . 6275 1 1872 . 1 1 171 171 LYS HG3 H 1 1.31 0.02 . 1 . . . . . . . . 6275 1 1873 . 1 1 171 171 LYS HD2 H 1 1.56 0.02 . 1 . . . . . . . . 6275 1 1874 . 1 1 171 171 LYS HD3 H 1 1.56 0.02 . 1 . . . . . . . . 6275 1 1875 . 1 1 171 171 LYS HE2 H 1 2.85 0.02 . 1 . . . . . . . . 6275 1 1876 . 1 1 171 171 LYS HE3 H 1 2.85 0.02 . 1 . . . . . . . . 6275 1 1877 . 1 1 171 171 LYS C C 13 179.5 0.08 . 1 . . . . . . . . 6275 1 1878 . 1 1 171 171 LYS CA C 13 59.8 0.31 . 1 . . . . . . . . 6275 1 1879 . 1 1 171 171 LYS CB C 13 31.9 0.31 . 1 . . . . . . . . 6275 1 1880 . 1 1 171 171 LYS CG C 13 24.9 0.31 . 1 . . . . . . . . 6275 1 1881 . 1 1 171 171 LYS CD C 13 29.0 0.31 . 1 . . . . . . . . 6275 1 1882 . 1 1 171 171 LYS CE C 13 42.0 0.31 . 1 . . . . . . . . 6275 1 1883 . 1 1 171 171 LYS N N 15 119.3 0.14 . 1 . . . . . . . . 6275 1 1884 . 1 1 172 172 SER H H 1 7.71 0.015 . 1 . . . . . . . . 6275 1 1885 . 1 1 172 172 SER HA H 1 3.96 0.015 . 1 . . . . . . . . 6275 1 1886 . 1 1 172 172 SER HB2 H 1 3.68 0.02 . 2 . . . . . . . . 6275 1 1887 . 1 1 172 172 SER HB3 H 1 3.52 0.02 . 2 . . . . . . . . 6275 1 1888 . 1 1 172 172 SER C C 13 176.8 0.08 . 1 . . . . . . . . 6275 1 1889 . 1 1 172 172 SER CA C 13 61.3 0.31 . 1 . . . . . . . . 6275 1 1890 . 1 1 172 172 SER CB C 13 62.5 0.31 . 1 . . . . . . . . 6275 1 1891 . 1 1 172 172 SER N N 15 113.4 0.14 . 1 . . . . . . . . 6275 1 1892 . 1 1 173 173 HIS H H 1 7.45 0.015 . 1 . . . . . . . . 6275 1 1893 . 1 1 173 173 HIS HA H 1 4.16 0.015 . 1 . . . . . . . . 6275 1 1894 . 1 1 173 173 HIS HB2 H 1 3.04 0.02 . 1 . . . . . . . . 6275 1 1895 . 1 1 173 173 HIS HB3 H 1 2.84 0.02 . 1 . . . . . . . . 6275 1 1896 . 1 1 173 173 HIS C C 13 177.7 0.08 . 1 . . . . . . . . 6275 1 1897 . 1 1 173 173 HIS CA C 13 58.8 0.31 . 1 . . . . . . . . 6275 1 1898 . 1 1 173 173 HIS CB C 13 28.5 0.31 . 1 . . . . . . . . 6275 1 1899 . 1 1 173 173 HIS N N 15 121.2 0.14 . 1 . . . . . . . . 6275 1 1900 . 1 1 174 174 MET H H 1 8.33 0.015 . 1 . . . . . . . . 6275 1 1901 . 1 1 174 174 MET HA H 1 3.82 0.015 . 1 . . . . . . . . 6275 1 1902 . 1 1 174 174 MET HB2 H 1 2.26 0.02 . 1 . . . . . . . . 6275 1 1903 . 1 1 174 174 MET HB3 H 1 2.07 0.02 . 1 . . . . . . . . 6275 1 1904 . 1 1 174 174 MET HG2 H 1 2.85 0.02 . 1 . . . . . . . . 6275 1 1905 . 1 1 174 174 MET HG3 H 1 2.83 0.02 . 1 . . . . . . . . 6275 1 1906 . 1 1 174 174 MET HE1 H 1 2.07 0.02 . 1 . . . . . . . . 6275 1 1907 . 1 1 174 174 MET HE2 H 1 2.07 0.02 . 1 . . . . . . . . 6275 1 1908 . 1 1 174 174 MET HE3 H 1 2.07 0.02 . 1 . . . . . . . . 6275 1 1909 . 1 1 174 174 MET C C 13 177.7 0.08 . 1 . . . . . . . . 6275 1 1910 . 1 1 174 174 MET CA C 13 58.5 0.31 . 1 . . . . . . . . 6275 1 1911 . 1 1 174 174 MET CB C 13 32.0 0.31 . 1 . . . . . . . . 6275 1 1912 . 1 1 174 174 MET CG C 13 32.4 0.31 . 1 . . . . . . . . 6275 1 1913 . 1 1 174 174 MET CE C 13 15.9 0.31 . 1 . . . . . . . . 6275 1 1914 . 1 1 174 174 MET N N 15 117.6 0.14 . 1 . . . . . . . . 6275 1 1915 . 1 1 175 175 LYS H H 1 7.11 0.015 . 1 . . . . . . . . 6275 1 1916 . 1 1 175 175 LYS HA H 1 4.11 0.015 . 1 . . . . . . . . 6275 1 1917 . 1 1 175 175 LYS HB2 H 1 1.84 0.02 . 1 . . . . . . . . 6275 1 1918 . 1 1 175 175 LYS HB3 H 1 1.81 0.02 . 1 . . . . . . . . 6275 1 1919 . 1 1 175 175 LYS HG2 H 1 1.60 0.02 . 1 . . . . . . . . 6275 1 1920 . 1 1 175 175 LYS HG3 H 1 1.46 0.02 . 1 . . . . . . . . 6275 1 1921 . 1 1 175 175 LYS HD2 H 1 1.65 0.02 . 1 . . . . . . . . 6275 1 1922 . 1 1 175 175 LYS HD3 H 1 1.65 0.02 . 1 . . . . . . . . 6275 1 1923 . 1 1 175 175 LYS HE2 H 1 2.92 0.02 . 1 . . . . . . . . 6275 1 1924 . 1 1 175 175 LYS HE3 H 1 2.92 0.02 . 1 . . . . . . . . 6275 1 1925 . 1 1 175 175 LYS C C 13 177.0 0.08 . 1 . . . . . . . . 6275 1 1926 . 1 1 175 175 LYS CA C 13 58.1 0.31 . 1 . . . . . . . . 6275 1 1927 . 1 1 175 175 LYS CB C 13 32.0 0.31 . 1 . . . . . . . . 6275 1 1928 . 1 1 175 175 LYS CG C 13 25.2 0.31 . 1 . . . . . . . . 6275 1 1929 . 1 1 175 175 LYS CD C 13 29.1 0.31 . 1 . . . . . . . . 6275 1 1930 . 1 1 175 175 LYS CE C 13 42.0 0.31 . 1 . . . . . . . . 6275 1 1931 . 1 1 175 175 LYS N N 15 117.8 0.14 . 1 . . . . . . . . 6275 1 1932 . 1 1 176 176 GLY H H 1 7.58 0.015 . 1 . . . . . . . . 6275 1 1933 . 1 1 176 176 GLY HA2 H 1 4.11 0.015 . 2 . . . . . . . . 6275 1 1934 . 1 1 176 176 GLY HA3 H 1 3.53 0.02 . 2 . . . . . . . . 6275 1 1935 . 1 1 176 176 GLY C C 13 174.2 0.08 . 1 . . . . . . . . 6275 1 1936 . 1 1 176 176 GLY CA C 13 45.1 0.31 . 1 . . . . . . . . 6275 1 1937 . 1 1 176 176 GLY N N 15 105.0 0.14 . 1 . . . . . . . . 6275 1 1938 . 1 1 177 177 HIS H H 1 7.08 0.015 . 1 . . . . . . . . 6275 1 1939 . 1 1 177 177 HIS HA H 1 4.48 0.015 . 1 . . . . . . . . 6275 1 1940 . 1 1 177 177 HIS HB2 H 1 3.15 0.02 . 1 . . . . . . . . 6275 1 1941 . 1 1 177 177 HIS HB3 H 1 2.94 0.02 . 1 . . . . . . . . 6275 1 1942 . 1 1 177 177 HIS HD2 H 1 6.94 0.02 . 1 . . . . . . . . 6275 1 1943 . 1 1 177 177 HIS HE1 H 1 7.95 0.02 . 1 . . . . . . . . 6275 1 1944 . 1 1 177 177 HIS C C 13 179.7 0.08 . 1 . . . . . . . . 6275 1 1945 . 1 1 177 177 HIS CA C 13 57.6 0.31 . 1 . . . . . . . . 6275 1 1946 . 1 1 177 177 HIS CB C 13 30.1 0.31 . 1 . . . . . . . . 6275 1 1947 . 1 1 177 177 HIS CD2 C 13 126.3 0.02 . 1 . . . . . . . . 6275 1 1948 . 1 1 177 177 HIS CE1 C 13 139.4 0.02 . 1 . . . . . . . . 6275 1 1949 . 1 1 177 177 HIS N N 15 124.1 0.14 . 1 . . . . . . . . 6275 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 80 6275 1 1 79 6275 1 2 100 6275 1 2 99 6275 1 2 98 6275 1 2 97 6275 1 3 102 6275 1 3 101 6275 1 4 161 6275 1 4 160 6275 1 5 1217 6275 1 5 1216 6275 1 6 1628 6275 1 6 1339 6275 1 6 1317 6275 1 6 997 6275 1 6 291 6275 1 6 78 6275 1 7 1752 6275 1 7 1451 6275 1 7 1107 6275 1 7 1010 6275 1 7 772 6275 1 7 407 6275 1 7 294 6275 1 7 81 6275 1 8 1662 6275 1 8 1634 6275 1 8 1464 6275 1 8 1352 6275 1 8 1345 6275 1 8 1322 6275 1 8 1003 6275 1 8 691 6275 1 8 676 6275 1 9 1749 6275 1 9 1660 6275 1 9 1462 6275 1 9 1448 6275 1 9 1350 6275 1 9 1104 6275 1 9 1008 6275 1 9 770 6275 1 9 681 6275 1 9 670 6275 1 9 404 6275 1 10 1753 6275 1 10 1663 6275 1 10 1465 6275 1 10 1452 6275 1 10 1353 6275 1 10 1108 6275 1 10 1011 6275 1 10 773 6275 1 10 408 6275 1 10 295 6275 1 10 82 6275 1 11 1754 6275 1 11 1664 6275 1 11 1638 6275 1 11 1466 6275 1 11 1453 6275 1 11 1354 6275 1 11 1349 6275 1 11 1326 6275 1 11 1109 6275 1 11 1012 6275 1 11 1007 6275 1 11 697 6275 1 11 680 6275 1 11 296 6275 1 11 774 6275 1 11 409 6275 1 11 83 6275 1 12 1629 6275 1 12 1463 6275 1 12 1340 6275 1 12 1320 6275 1 12 1319 6275 1 12 1318 6275 1 12 998 6275 1 12 682 6275 1 12 671 6275 1 13 692 6275 1 13 677 6275 1 14 693 6275 1 14 678 6275 1 15 1636 6275 1 15 1635 6275 1 15 1347 6275 1 15 1346 6275 1 15 1324 6275 1 15 1323 6275 1 15 1005 6275 1 15 1004 6275 1 stop_ save_