data_6821 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6821 _Entry.Title ; Human SOD before harboring the catalytic metal: Solution structure of copper depleted, disulfide reduced form ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-09-09 _Entry.Accession_date 2005-09-29 _Entry.Last_release_date 2007-01-29 _Entry.Original_release_date 2007-01-29 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 L. Banci . . . 6821 2 I. Bertini . . . 6821 3 F. Cantini . . . 6821 4 N. D'Amelio . . . 6821 5 E. Gaggelli . . . 6821 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6821 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 497 6821 '15N chemical shifts' 158 6821 '1H chemical shifts' 987 6821 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 . . 2007-01-29 2005-09-09 original author . 6821 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6821 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16291742 _Citation.Full_citation . _Citation.Title ; Human SOD1 before harboring the catalytic metal: Solution structure of copper depleted, disulfide reduced form ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 281 _Citation.Journal_issue 4 _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 2333 _Citation.Page_last 2337 _Citation.Year 2006 _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 L. Banci . . . 6821 1 2 I. Bertini . . . 6821 1 3 F. Cantini . . . 6821 1 4 N. D'Amelio . . . 6821 1 5 E. Gaggelli . . . 6821 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'copper depleted protein' 6821 1 'disulfide bond reduced' 6821 1 'homodimeric protein' 6821 1 'Human superoxide dismutase' 6821 1 NMR 6821 1 'Protein Structure Initiative' 6821 1 PSI 6821 1 'solution structure' 6821 1 SPINE 6821 1 'Structural Genomics' 6821 1 'Structural Proteomics in Europe' 6821 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_dismutase _Assembly.Sf_category assembly _Assembly.Sf_framecode system_dismutase _Assembly.Entry_ID 6821 _Assembly.ID 1 _Assembly.Name 'Superoxide dismutase [Cu-Zn] (E.C.1.15.1.1)' _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 free' _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 6821 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 'Superoxide dismutase [Cu-Zn], chain A' 1 $dismutase . . . native . . . . . 6821 1 2 'Superoxide dismutase [Cu-Zn], chain B' 1 $dismutase . . . native . . . . . 6821 1 3 'ZINC ION, 1' 2 $ZN . . . native . . . . . 6821 1 4 'ZINC ION, 2' 2 $ZN . . . native . . . . . 6821 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 disulfide single . 1 . 1 HIS 63 63 ND1 . 3 . 2 ZN 1 1 ZN . . . . . . . . . . 6821 1 2 disulfide single . 1 . 1 HIS 71 71 ND1 . 3 . 2 ZN 1 1 ZN . . . . . . . . . . 6821 1 3 disulfide single . 1 . 1 HIS 80 80 ND1 . 3 . 2 ZN 1 1 ZN . . . . . . . . . . 6821 1 4 disulfide single . 2 . 1 HIS 63 63 ND1 . 4 . 2 ZN 1 1 ZN . . . . . . . . . . 6821 1 5 disulfide single . 2 . 1 HIS 71 71 ND1 . 4 . 2 ZN 1 1 ZN . . . . . . . . . . 6821 1 6 disulfide single . 2 . 1 HIS 80 80 ND1 . 4 . 2 ZN 1 1 ZN . . . . . . . . . . 6821 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2AF2 . . . . . . 6821 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Superoxide dismutase [Cu-Zn] (E.C.1.15.1.1)' abbreviation 6821 1 'Superoxide dismutase [Cu-Zn] (E.C.1.15.1.1)' system 6821 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_dismutase _Entity.Sf_category entity _Entity.Sf_framecode dismutase _Entity.Entry_ID 6821 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Superoxide dismutase [Cu-Zn] (E.C.1.15.1.1)' _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 ; ATKAVAVLKGDGPVQGIINF EQKESNGPVKVWGSIKGLTE GLHGFHVHEFGDNTAGCTSA GPHFNPLSRKHGGPKDEERH VGDLGNVTADKDGVADVSIE DSVISLSGDHSIIGRTLVVH EKADDLGKGGNEESTKTGNA GSRLACGVIGIAQ ; _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 153 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Superoxide dismutase [Cu-Zn] (E.C.1.15.1.1)' abbreviation 6821 1 'Superoxide dismutase [Cu-Zn] (E.C.1.15.1.1)' common 6821 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 . ALA . 6821 1 2 . THR . 6821 1 3 . LYS . 6821 1 4 . ALA . 6821 1 5 . VAL . 6821 1 6 . ALA . 6821 1 7 . VAL . 6821 1 8 . LEU . 6821 1 9 . LYS . 6821 1 10 . GLY . 6821 1 11 . ASP . 6821 1 12 . GLY . 6821 1 13 . PRO . 6821 1 14 . VAL . 6821 1 15 . GLN . 6821 1 16 . GLY . 6821 1 17 . ILE . 6821 1 18 . ILE . 6821 1 19 . ASN . 6821 1 20 . PHE . 6821 1 21 . GLU . 6821 1 22 . GLN . 6821 1 23 . LYS . 6821 1 24 . GLU . 6821 1 25 . SER . 6821 1 26 . ASN . 6821 1 27 . GLY . 6821 1 28 . PRO . 6821 1 29 . VAL . 6821 1 30 . LYS . 6821 1 31 . VAL . 6821 1 32 . TRP . 6821 1 33 . GLY . 6821 1 34 . SER . 6821 1 35 . ILE . 6821 1 36 . LYS . 6821 1 37 . GLY . 6821 1 38 . LEU . 6821 1 39 . THR . 6821 1 40 . GLU . 6821 1 41 . GLY . 6821 1 42 . LEU . 6821 1 43 . HIS . 6821 1 44 . GLY . 6821 1 45 . PHE . 6821 1 46 . HIS . 6821 1 47 . VAL . 6821 1 48 . HIS . 6821 1 49 . GLU . 6821 1 50 . PHE . 6821 1 51 . GLY . 6821 1 52 . ASP . 6821 1 53 . ASN . 6821 1 54 . THR . 6821 1 55 . ALA . 6821 1 56 . GLY . 6821 1 57 . CYS . 6821 1 58 . THR . 6821 1 59 . SER . 6821 1 60 . ALA . 6821 1 61 . GLY . 6821 1 62 . PRO . 6821 1 63 . HIS . 6821 1 64 . PHE . 6821 1 65 . ASN . 6821 1 66 . PRO . 6821 1 67 . LEU . 6821 1 68 . SER . 6821 1 69 . ARG . 6821 1 70 . LYS . 6821 1 71 . HIS . 6821 1 72 . GLY . 6821 1 73 . GLY . 6821 1 74 . PRO . 6821 1 75 . LYS . 6821 1 76 . ASP . 6821 1 77 . GLU . 6821 1 78 . GLU . 6821 1 79 . ARG . 6821 1 80 . HIS . 6821 1 81 . VAL . 6821 1 82 . GLY . 6821 1 83 . ASP . 6821 1 84 . LEU . 6821 1 85 . GLY . 6821 1 86 . ASN . 6821 1 87 . VAL . 6821 1 88 . THR . 6821 1 89 . ALA . 6821 1 90 . ASP . 6821 1 91 . LYS . 6821 1 92 . ASP . 6821 1 93 . GLY . 6821 1 94 . VAL . 6821 1 95 . ALA . 6821 1 96 . ASP . 6821 1 97 . VAL . 6821 1 98 . SER . 6821 1 99 . ILE . 6821 1 100 . GLU . 6821 1 101 . ASP . 6821 1 102 . SER . 6821 1 103 . VAL . 6821 1 104 . ILE . 6821 1 105 . SER . 6821 1 106 . LEU . 6821 1 107 . SER . 6821 1 108 . GLY . 6821 1 109 . ASP . 6821 1 110 . HIS . 6821 1 111 . SER . 6821 1 112 . ILE . 6821 1 113 . ILE . 6821 1 114 . GLY . 6821 1 115 . ARG . 6821 1 116 . THR . 6821 1 117 . LEU . 6821 1 118 . VAL . 6821 1 119 . VAL . 6821 1 120 . HIS . 6821 1 121 . GLU . 6821 1 122 . LYS . 6821 1 123 . ALA . 6821 1 124 . ASP . 6821 1 125 . ASP . 6821 1 126 . LEU . 6821 1 127 . GLY . 6821 1 128 . LYS . 6821 1 129 . GLY . 6821 1 130 . GLY . 6821 1 131 . ASN . 6821 1 132 . GLU . 6821 1 133 . GLU . 6821 1 134 . SER . 6821 1 135 . THR . 6821 1 136 . LYS . 6821 1 137 . THR . 6821 1 138 . GLY . 6821 1 139 . ASN . 6821 1 140 . ALA . 6821 1 141 . GLY . 6821 1 142 . SER . 6821 1 143 . ARG . 6821 1 144 . LEU . 6821 1 145 . ALA . 6821 1 146 . CYS . 6821 1 147 . GLY . 6821 1 148 . VAL . 6821 1 149 . ILE . 6821 1 150 . GLY . 6821 1 151 . ILE . 6821 1 152 . ALA . 6821 1 153 . GLN . 6821 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 . ALA 1 1 6821 1 . THR 2 2 6821 1 . LYS 3 3 6821 1 . ALA 4 4 6821 1 . VAL 5 5 6821 1 . ALA 6 6 6821 1 . VAL 7 7 6821 1 . LEU 8 8 6821 1 . LYS 9 9 6821 1 . GLY 10 10 6821 1 . ASP 11 11 6821 1 . GLY 12 12 6821 1 . PRO 13 13 6821 1 . VAL 14 14 6821 1 . GLN 15 15 6821 1 . GLY 16 16 6821 1 . ILE 17 17 6821 1 . ILE 18 18 6821 1 . ASN 19 19 6821 1 . PHE 20 20 6821 1 . GLU 21 21 6821 1 . GLN 22 22 6821 1 . LYS 23 23 6821 1 . GLU 24 24 6821 1 . SER 25 25 6821 1 . ASN 26 26 6821 1 . GLY 27 27 6821 1 . PRO 28 28 6821 1 . VAL 29 29 6821 1 . LYS 30 30 6821 1 . VAL 31 31 6821 1 . TRP 32 32 6821 1 . GLY 33 33 6821 1 . SER 34 34 6821 1 . ILE 35 35 6821 1 . LYS 36 36 6821 1 . GLY 37 37 6821 1 . LEU 38 38 6821 1 . THR 39 39 6821 1 . GLU 40 40 6821 1 . GLY 41 41 6821 1 . LEU 42 42 6821 1 . HIS 43 43 6821 1 . GLY 44 44 6821 1 . PHE 45 45 6821 1 . HIS 46 46 6821 1 . VAL 47 47 6821 1 . HIS 48 48 6821 1 . GLU 49 49 6821 1 . PHE 50 50 6821 1 . GLY 51 51 6821 1 . ASP 52 52 6821 1 . ASN 53 53 6821 1 . THR 54 54 6821 1 . ALA 55 55 6821 1 . GLY 56 56 6821 1 . CYS 57 57 6821 1 . THR 58 58 6821 1 . SER 59 59 6821 1 . ALA 60 60 6821 1 . GLY 61 61 6821 1 . PRO 62 62 6821 1 . HIS 63 63 6821 1 . PHE 64 64 6821 1 . ASN 65 65 6821 1 . PRO 66 66 6821 1 . LEU 67 67 6821 1 . SER 68 68 6821 1 . ARG 69 69 6821 1 . LYS 70 70 6821 1 . HIS 71 71 6821 1 . GLY 72 72 6821 1 . GLY 73 73 6821 1 . PRO 74 74 6821 1 . LYS 75 75 6821 1 . ASP 76 76 6821 1 . GLU 77 77 6821 1 . GLU 78 78 6821 1 . ARG 79 79 6821 1 . HIS 80 80 6821 1 . VAL 81 81 6821 1 . GLY 82 82 6821 1 . ASP 83 83 6821 1 . LEU 84 84 6821 1 . GLY 85 85 6821 1 . ASN 86 86 6821 1 . VAL 87 87 6821 1 . THR 88 88 6821 1 . ALA 89 89 6821 1 . ASP 90 90 6821 1 . LYS 91 91 6821 1 . ASP 92 92 6821 1 . GLY 93 93 6821 1 . VAL 94 94 6821 1 . ALA 95 95 6821 1 . ASP 96 96 6821 1 . VAL 97 97 6821 1 . SER 98 98 6821 1 . ILE 99 99 6821 1 . GLU 100 100 6821 1 . ASP 101 101 6821 1 . SER 102 102 6821 1 . VAL 103 103 6821 1 . ILE 104 104 6821 1 . SER 105 105 6821 1 . LEU 106 106 6821 1 . SER 107 107 6821 1 . GLY 108 108 6821 1 . ASP 109 109 6821 1 . HIS 110 110 6821 1 . SER 111 111 6821 1 . ILE 112 112 6821 1 . ILE 113 113 6821 1 . GLY 114 114 6821 1 . ARG 115 115 6821 1 . THR 116 116 6821 1 . LEU 117 117 6821 1 . VAL 118 118 6821 1 . VAL 119 119 6821 1 . HIS 120 120 6821 1 . GLU 121 121 6821 1 . LYS 122 122 6821 1 . ALA 123 123 6821 1 . ASP 124 124 6821 1 . ASP 125 125 6821 1 . LEU 126 126 6821 1 . GLY 127 127 6821 1 . LYS 128 128 6821 1 . GLY 129 129 6821 1 . GLY 130 130 6821 1 . ASN 131 131 6821 1 . GLU 132 132 6821 1 . GLU 133 133 6821 1 . SER 134 134 6821 1 . THR 135 135 6821 1 . LYS 136 136 6821 1 . THR 137 137 6821 1 . GLY 138 138 6821 1 . ASN 139 139 6821 1 . ALA 140 140 6821 1 . GLY 141 141 6821 1 . SER 142 142 6821 1 . ARG 143 143 6821 1 . LEU 144 144 6821 1 . ALA 145 145 6821 1 . CYS 146 146 6821 1 . GLY 147 147 6821 1 . VAL 148 148 6821 1 . ILE 149 149 6821 1 . GLY 150 150 6821 1 . ILE 151 151 6821 1 . ALA 152 152 6821 1 . GLN 153 153 6821 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 6821 _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 . 6821 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 6821 _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 $dismutase . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6821 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 6821 _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 $dismutase . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli TOPP1 . . . . . . . . . . . . . . . PBR322 . . . . . . 6821 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 6821 _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 Fri Jun 10 14:23:33 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 6821 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 6821 ZN [Zn++] SMILES CACTVS 3.341 6821 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 6821 ZN [Zn+2] SMILES ACDLabs 10.04 6821 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 6821 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 6821 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 6821 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 6821 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 . 6821 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6821 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Superoxide dismutase [Cu-Zn] (E.C.1.15.1.1)' [U-15N] . . 1 $dismutase . . 1.5 . . mM . . . . 6821 1 2 'ZINC (II) ION' . . . 2 $ZN . . 1.5 . . mM . . . . 6821 1 3 'sodium phosphate' . . . . . . . 20 . . mM . . . . 6821 1 4 'DTT buffer' . . . . . . . 20 . . mM . . . . 6821 1 5 H2O . . . . . . . 90 . . % . . . . 6821 1 6 D2O . . . . . . . 10 . . % . . . . 6821 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6821 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Superoxide dismutase [Cu-Zn] (E.C.1.15.1.1)' '[U-13C; U-15N]' . . 1 $dismutase . . 1 . . mM . . . . 6821 2 2 'ZINC (II) ION' . . . 2 $ZN . . 1 . . mM . . . . 6821 2 3 'sodium phosphate' . . . . . . . 20 . . mM . . . . 6821 2 4 'DTT buffer' . . . . . . . 20 . . mM . . . . 6821 2 5 H2O . . . . . . . 90 . . % . . . . 6821 2 6 D2O . . . . . . . 10 . . % . . . . 6821 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 6821 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Superoxide dismutase [Cu-Zn] (E.C.1.15.1.1)' '[U-70% 2H; U-13C; U-15N]' . . 1 $dismutase . . 1 . . mM . . . . 6821 3 2 'ZINC (II) ION' . . . 2 $ZN . . 1 . . mM . . . . 6821 3 3 'sodium phosphate' . . . . . . . 20 . . mM . . . . 6821 3 4 'DTT buffer' . . . . . . . 20 . . mM . . . . 6821 3 5 H2O . . . . . . . 90 . . % . . . . 6821 3 6 D2O . . . . . . . 10 . . % . . . . 6821 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 6821 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 20 . mM 6821 1 pH 5 . pH 6821 1 pressure 1 . atm 6821 1 temperature 298 . K 6821 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 6821 _Software.ID 1 _Software.Name xwinnmr _Software.Version . _Software.Details Bruker loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 6821 1 stop_ save_ save_NEASY _Software.Sf_category software _Software.Sf_framecode NEASY _Software.Entry_ID 6821 _Software.ID 2 _Software.Name NEASY _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 6821 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 6821 _Software.ID 3 _Software.Name CYANA _Software.Version 1.03 _Software.Details 'Herrmann, T., Guntert, P., and Wuthrich, K' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 6821 3 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 6821 _Software.ID 4 _Software.Name AMBER _Software.Version 8 _Software.Details ; Pearlman, D. A., Case, D. A., Caldwell, J. W., Ross, W. S., Cheatham, T. E., Ferguson, D. M., Seibel, G. L., Singh, U. C., Weiner, P. K., and Kollman, P. A. ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 6821 4 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 6821 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6821 _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 Bruker AVANCE . 900 . . . 6821 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 6821 _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 NOESY' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6821 1 2 HNHA . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6821 1 3 '3D 15N-separated NOESY' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6821 1 4 '3D 13C-separated NOESY' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6821 1 5 'H(C)CH TOCSY' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6821 1 6 '(H)CCH TOCSY' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6821 1 7 TROSY-HNCACB . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6821 1 8 TROSY-HNCA . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6821 1 9 'TROSY HN(CO)CA' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6821 1 10 'TROSY HNCO' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6821 1 11 'TROSY HN(CA)CO' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6821 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 6821 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D 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 . 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 6821 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name 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 . 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 6821 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '3D 15N-separated 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 . 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 6821 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '3D 13C-separated 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 . 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 6821 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name 'H(C)CH 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 . 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 6821 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '(H)CCH 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 . 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 6821 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name TROSY-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 . 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 6821 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name TROSY-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 . 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 6821 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name 'TROSY HN(CO)CA' _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 . 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 6821 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name 'TROSY 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 . 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 6821 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name 'TROSY HN(CA)CO' _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 . 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 6821 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 dioxane carbons . . . . ppm . . direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6821 1 H 1 water protons . . . . ppm . . direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6821 1 N 15 urea nitrogens . . . . ppm . . direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6821 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 6821 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 6821 1 . . 2 $sample_2 . 6821 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 1 1 ALA HA H 1 4.393 0.020 . . . . . . . . . . 6821 1 2 . 1 1 1 1 ALA HB1 H 1 1.636 0.020 . . . . . . . . . . 6821 1 3 . 1 1 1 1 ALA HB2 H 1 1.636 0.020 . . . . . . . . . . 6821 1 4 . 1 1 1 1 ALA HB3 H 1 1.636 0.020 . . . . . . . . . . 6821 1 5 . 1 1 1 1 ALA C C 13 171.103 0.200 . . . . . . . . . . 6821 1 6 . 1 1 1 1 ALA CA C 13 49.842 0.200 . . . . . . . . . . 6821 1 7 . 1 1 1 1 ALA CB C 13 18.059 0.200 . . . . . . . . . . 6821 1 8 . 1 1 2 2 THR H H 1 8.548 0.020 . . . . . . . . . . 6821 1 9 . 1 1 2 2 THR HA H 1 4.628 0.020 . . . . . . . . . . 6821 1 10 . 1 1 2 2 THR HB H 1 4.131 0.020 . . . . . . . . . . 6821 1 11 . 1 1 2 2 THR HG21 H 1 1.344 0.020 . . . . . . . . . . 6821 1 12 . 1 1 2 2 THR HG22 H 1 1.344 0.020 . . . . . . . . . . 6821 1 13 . 1 1 2 2 THR HG23 H 1 1.344 0.020 . . . . . . . . . . 6821 1 14 . 1 1 2 2 THR C C 13 170.383 0.200 . . . . . . . . . . 6821 1 15 . 1 1 2 2 THR CA C 13 60.340 0.200 . . . . . . . . . . 6821 1 16 . 1 1 2 2 THR CB C 13 67.760 0.200 . . . . . . . . . . 6821 1 17 . 1 1 2 2 THR CG2 C 13 19.440 0.200 . . . . . . . . . . 6821 1 18 . 1 1 2 2 THR N N 15 114.366 0.200 . . . . . . . . . . 6821 1 19 . 1 1 3 3 LYS H H 1 8.683 0.020 . . . . . . . . . . 6821 1 20 . 1 1 3 3 LYS HA H 1 5.311 0.020 . . . . . . . . . . 6821 1 21 . 1 1 3 3 LYS HB2 H 1 1.635 0.020 . . . . . . . . . . 6821 1 22 . 1 1 3 3 LYS HB3 H 1 1.937 0.020 . . . . . . . . . . 6821 1 23 . 1 1 3 3 LYS HG2 H 1 1.473 0.020 . . . . . . . . . . 6821 1 24 . 1 1 3 3 LYS HG3 H 1 1.473 0.020 . . . . . . . . . . 6821 1 25 . 1 1 3 3 LYS HD2 H 1 1.338 0.012 . . . . . . . . . . 6821 1 26 . 1 1 3 3 LYS HD3 H 1 1.338 0.012 . . . . . . . . . . 6821 1 27 . 1 1 3 3 LYS HE2 H 1 3.000 0.003 . . . . . . . . . . 6821 1 28 . 1 1 3 3 LYS HE3 H 1 3.000 0.003 . . . . . . . . . . 6821 1 29 . 1 1 3 3 LYS C C 13 172.281 0.200 . . . . . . . . . . 6821 1 30 . 1 1 3 3 LYS CA C 13 52.905 0.200 . . . . . . . . . . 6821 1 31 . 1 1 3 3 LYS CB C 13 34.571 0.200 . . . . . . . . . . 6821 1 32 . 1 1 3 3 LYS CG C 13 23.168 0.200 . . . . . . . . . . 6821 1 33 . 1 1 3 3 LYS CE C 13 40.149 0.200 . . . . . . . . . . 6821 1 34 . 1 1 3 3 LYS N N 15 125.049 0.200 . . . . . . . . . . 6821 1 35 . 1 1 4 4 ALA H H 1 9.152 0.020 . . . . . . . . . . 6821 1 36 . 1 1 4 4 ALA HA H 1 5.514 0.020 . . . . . . . . . . 6821 1 37 . 1 1 4 4 ALA HB1 H 1 1.122 0.020 . . . . . . . . . . 6821 1 38 . 1 1 4 4 ALA HB2 H 1 1.122 0.020 . . . . . . . . . . 6821 1 39 . 1 1 4 4 ALA HB3 H 1 1.122 0.020 . . . . . . . . . . 6821 1 40 . 1 1 4 4 ALA C C 13 173.051 0.200 . . . . . . . . . . 6821 1 41 . 1 1 4 4 ALA CA C 13 48.555 0.200 . . . . . . . . . . 6821 1 42 . 1 1 4 4 ALA N N 15 123.595 0.200 . . . . . . . . . . 6821 1 43 . 1 1 5 5 VAL H H 1 9.569 0.020 . . . . . . . . . . 6821 1 44 . 1 1 5 5 VAL HA H 1 5.363 0.020 . . . . . . . . . . 6821 1 45 . 1 1 5 5 VAL HB H 1 1.984 0.020 . . . . . . . . . . 6821 1 46 . 1 1 5 5 VAL HG11 H 1 0.823 0.020 . . . . . . . . . . 6821 1 47 . 1 1 5 5 VAL HG12 H 1 0.823 0.020 . . . . . . . . . . 6821 1 48 . 1 1 5 5 VAL HG13 H 1 0.823 0.020 . . . . . . . . . . 6821 1 49 . 1 1 5 5 VAL HG21 H 1 0.778 0.020 . . . . . . . . . . 6821 1 50 . 1 1 5 5 VAL HG22 H 1 0.778 0.020 . . . . . . . . . . 6821 1 51 . 1 1 5 5 VAL HG23 H 1 0.778 0.020 . . . . . . . . . . 6821 1 52 . 1 1 5 5 VAL C C 13 168.663 0.200 . . . . . . . . . . 6821 1 53 . 1 1 5 5 VAL CA C 13 58.100 0.200 . . . . . . . . . . 6821 1 54 . 1 1 5 5 VAL CB C 13 33.455 0.200 . . . . . . . . . . 6821 1 55 . 1 1 5 5 VAL CG1 C 13 16.516 0.200 . . . . . . . . . . 6821 1 56 . 1 1 5 5 VAL CG2 C 13 19.968 0.200 . . . . . . . . . . 6821 1 57 . 1 1 5 5 VAL N N 15 121.951 0.200 . . . . . . . . . . 6821 1 58 . 1 1 6 6 ALA H H 1 9.182 0.020 . . . . . . . . . . 6821 1 59 . 1 1 6 6 ALA HA H 1 4.697 0.020 . . . . . . . . . . 6821 1 60 . 1 1 6 6 ALA HB1 H 1 1.127 0.020 . . . . . . . . . . 6821 1 61 . 1 1 6 6 ALA HB2 H 1 1.127 0.020 . . . . . . . . . . 6821 1 62 . 1 1 6 6 ALA HB3 H 1 1.127 0.020 . . . . . . . . . . 6821 1 63 . 1 1 6 6 ALA C C 13 172.441 0.200 . . . . . . . . . . 6821 1 64 . 1 1 6 6 ALA N N 15 126.410 0.200 . . . . . . . . . . 6821 1 65 . 1 1 7 7 VAL H H 1 9.093 0.020 . . . . . . . . . . 6821 1 66 . 1 1 7 7 VAL HA H 1 4.348 0.020 . . . . . . . . . . 6821 1 67 . 1 1 7 7 VAL HB H 1 2.015 0.020 . . . . . . . . . . 6821 1 68 . 1 1 7 7 VAL HG11 H 1 0.856 0.020 . . . . . . . . . . 6821 1 69 . 1 1 7 7 VAL HG12 H 1 0.856 0.020 . . . . . . . . . . 6821 1 70 . 1 1 7 7 VAL HG13 H 1 0.856 0.020 . . . . . . . . . . 6821 1 71 . 1 1 7 7 VAL HG21 H 1 0.911 0.020 . . . . . . . . . . 6821 1 72 . 1 1 7 7 VAL HG22 H 1 0.911 0.020 . . . . . . . . . . 6821 1 73 . 1 1 7 7 VAL HG23 H 1 0.911 0.020 . . . . . . . . . . 6821 1 74 . 1 1 7 7 VAL C C 13 173.040 0.200 . . . . . . . . . . 6821 1 75 . 1 1 7 7 VAL CA C 13 59.438 0.200 . . . . . . . . . . 6821 1 76 . 1 1 7 7 VAL CB C 13 29.632 0.200 . . . . . . . . . . 6821 1 77 . 1 1 7 7 VAL CG1 C 13 19.440 0.200 . . . . . . . . . . 6821 1 78 . 1 1 7 7 VAL CG2 C 13 19.331 0.200 . . . . . . . . . . 6821 1 79 . 1 1 7 7 VAL N N 15 123.978 0.200 . . . . . . . . . . 6821 1 80 . 1 1 8 8 LEU H H 1 8.906 0.020 . . . . . . . . . . 6821 1 81 . 1 1 8 8 LEU HA H 1 4.306 0.020 . . . . . . . . . . 6821 1 82 . 1 1 8 8 LEU HB2 H 1 0.882 0.020 . . . . . . . . . . 6821 1 83 . 1 1 8 8 LEU HB3 H 1 1.453 0.020 . . . . . . . . . . 6821 1 84 . 1 1 8 8 LEU HG H 1 0.835 0.020 . . . . . . . . . . 6821 1 85 . 1 1 8 8 LEU HD11 H 1 0.552 0.020 . . . . . . . . . . 6821 1 86 . 1 1 8 8 LEU HD12 H 1 0.552 0.020 . . . . . . . . . . 6821 1 87 . 1 1 8 8 LEU HD13 H 1 0.552 0.020 . . . . . . . . . . 6821 1 88 . 1 1 8 8 LEU HD21 H 1 0.653 0.020 . . . . . . . . . . 6821 1 89 . 1 1 8 8 LEU HD22 H 1 0.653 0.020 . . . . . . . . . . 6821 1 90 . 1 1 8 8 LEU HD23 H 1 0.653 0.020 . . . . . . . . . . 6821 1 91 . 1 1 8 8 LEU C C 13 173.469 0.200 . . . . . . . . . . 6821 1 92 . 1 1 8 8 LEU CA C 13 52.114 0.200 . . . . . . . . . . 6821 1 93 . 1 1 8 8 LEU CB C 13 40.113 0.200 . . . . . . . . . . 6821 1 94 . 1 1 8 8 LEU CG C 13 25.653 0.200 . . . . . . . . . . 6821 1 95 . 1 1 8 8 LEU CD1 C 13 21.511 0.200 . . . . . . . . . . 6821 1 96 . 1 1 8 8 LEU CD2 C 13 23.954 0.200 . . . . . . . . . . 6821 1 97 . 1 1 8 8 LEU N N 15 126.747 0.200 . . . . . . . . . . 6821 1 98 . 1 1 9 9 LYS H H 1 8.412 0.020 . . . . . . . . . . 6821 1 99 . 1 1 9 9 LYS HA H 1 4.806 0.020 . . . . . . . . . . 6821 1 100 . 1 1 9 9 LYS HB2 H 1 2.074 0.020 . . . . . . . . . . 6821 1 101 . 1 1 9 9 LYS HB3 H 1 1.890 0.020 . . . . . . . . . . 6821 1 102 . 1 1 9 9 LYS HG2 H 1 1.541 0.020 . . . . . . . . . . 6821 1 103 . 1 1 9 9 LYS HG3 H 1 1.480 0.020 . . . . . . . . . . 6821 1 104 . 1 1 9 9 LYS HD2 H 1 1.776 0.020 . . . . . . . . . . 6821 1 105 . 1 1 9 9 LYS HD3 H 1 1.776 0.020 . . . . . . . . . . 6821 1 106 . 1 1 9 9 LYS HE2 H 1 2.998 0.020 . . . . . . . . . . 6821 1 107 . 1 1 9 9 LYS HE3 H 1 2.998 0.020 . . . . . . . . . . 6821 1 108 . 1 1 9 9 LYS C C 13 173.364 0.200 . . . . . . . . . . 6821 1 109 . 1 1 9 9 LYS CB C 13 34.728 0.200 . . . . . . . . . . 6821 1 110 . 1 1 9 9 LYS CG C 13 22.840 0.200 . . . . . . . . . . 6821 1 111 . 1 1 9 9 LYS CD C 13 26.899 0.200 . . . . . . . . . . 6821 1 112 . 1 1 9 9 LYS CE C 13 40.149 0.200 . . . . . . . . . . 6821 1 113 . 1 1 9 9 LYS N N 15 121.215 0.200 . . . . . . . . . . 6821 1 114 . 1 1 10 10 GLY H H 1 8.969 0.020 . . . . . . . . . . 6821 1 115 . 1 1 10 10 GLY HA2 H 1 4.585 0.020 . . . . . . . . . . 6821 1 116 . 1 1 10 10 GLY HA3 H 1 4.538 0.020 . . . . . . . . . . 6821 1 117 . 1 1 10 10 GLY C C 13 170.238 0.200 . . . . . . . . . . 6821 1 118 . 1 1 10 10 GLY CA C 13 43.414 0.200 . . . . . . . . . . 6821 1 119 . 1 1 10 10 GLY N N 15 112.605 0.200 . . . . . . . . . . 6821 1 120 . 1 1 11 11 ASP H H 1 8.770 0.020 . . . . . . . . . . 6821 1 121 . 1 1 11 11 ASP HA H 1 4.793 0.020 . . . . . . . . . . 6821 1 122 . 1 1 11 11 ASP HB2 H 1 2.820 0.020 . . . . . . . . . . 6821 1 123 . 1 1 11 11 ASP HB3 H 1 2.601 0.020 . . . . . . . . . . 6821 1 124 . 1 1 11 11 ASP C C 13 174.013 0.200 . . . . . . . . . . 6821 1 125 . 1 1 11 11 ASP CB C 13 38.428 0.200 . . . . . . . . . . 6821 1 126 . 1 1 11 11 ASP N N 15 121.561 0.200 . . . . . . . . . . 6821 1 127 . 1 1 12 12 GLY H H 1 8.020 0.020 . . . . . . . . . . 6821 1 128 . 1 1 12 12 GLY HA2 H 1 4.161 0.020 . . . . . . . . . . 6821 1 129 . 1 1 12 12 GLY HA3 H 1 4.371 0.020 . . . . . . . . . . 6821 1 130 . 1 1 12 12 GLY C C 13 171.245 0.200 . . . . . . . . . . 6821 1 131 . 1 1 12 12 GLY CA C 13 42.351 0.200 . . . . . . . . . . 6821 1 132 . 1 1 12 12 GLY N N 15 110.173 0.200 . . . . . . . . . . 6821 1 133 . 1 1 13 13 PRO HA H 1 4.522 0.020 . . . . . . . . . . 6821 1 134 . 1 1 13 13 PRO HB2 H 1 2.202 0.020 . . . . . . . . . . 6821 1 135 . 1 1 13 13 PRO HB3 H 1 2.145 0.020 . . . . . . . . . . 6821 1 136 . 1 1 13 13 PRO HG2 H 1 2.076 0.020 . . . . . . . . . . 6821 1 137 . 1 1 13 13 PRO HG3 H 1 2.013 0.020 . . . . . . . . . . 6821 1 138 . 1 1 13 13 PRO HD2 H 1 3.859 0.020 . . . . . . . . . . 6821 1 139 . 1 1 13 13 PRO HD3 H 1 3.587 0.020 . . . . . . . . . . 6821 1 140 . 1 1 13 13 PRO C C 13 174.198 0.200 . . . . . . . . . . 6821 1 141 . 1 1 13 13 PRO CA C 13 61.543 0.200 . . . . . . . . . . 6821 1 142 . 1 1 13 13 PRO CB C 13 30.485 0.200 . . . . . . . . . . 6821 1 143 . 1 1 13 13 PRO CG C 13 24.279 0.200 . . . . . . . . . . 6821 1 144 . 1 1 13 13 PRO CD C 13 47.606 0.200 . . . . . . . . . . 6821 1 145 . 1 1 14 14 VAL H H 1 7.273 0.020 . . . . . . . . . . 6821 1 146 . 1 1 14 14 VAL HA H 1 4.526 0.020 . . . . . . . . . . 6821 1 147 . 1 1 14 14 VAL HB H 1 1.634 0.020 . . . . . . . . . . 6821 1 148 . 1 1 14 14 VAL HG11 H 1 0.750 0.020 . . . . . . . . . . 6821 1 149 . 1 1 14 14 VAL HG12 H 1 0.750 0.020 . . . . . . . . . . 6821 1 150 . 1 1 14 14 VAL HG13 H 1 0.750 0.020 . . . . . . . . . . 6821 1 151 . 1 1 14 14 VAL HG21 H 1 0.443 0.020 . . . . . . . . . . 6821 1 152 . 1 1 14 14 VAL HG22 H 1 0.443 0.020 . . . . . . . . . . 6821 1 153 . 1 1 14 14 VAL HG23 H 1 0.443 0.020 . . . . . . . . . . 6821 1 154 . 1 1 14 14 VAL C C 13 173.492 0.200 . . . . . . . . . . 6821 1 155 . 1 1 14 14 VAL CA C 13 60.863 0.200 . . . . . . . . . . 6821 1 156 . 1 1 14 14 VAL CB C 13 28.220 0.200 . . . . . . . . . . 6821 1 157 . 1 1 14 14 VAL CG1 C 13 20.131 0.200 . . . . . . . . . . 6821 1 158 . 1 1 14 14 VAL CG2 C 13 19.977 0.200 . . . . . . . . . . 6821 1 159 . 1 1 14 14 VAL N N 15 120.508 0.200 . . . . . . . . . . 6821 1 160 . 1 1 15 15 GLN H H 1 8.014 0.020 . . . . . . . . . . 6821 1 161 . 1 1 15 15 GLN HA H 1 4.931 0.020 . . . . . . . . . . 6821 1 162 . 1 1 15 15 GLN HB2 H 1 2.345 0.020 . . . . . . . . . . 6821 1 163 . 1 1 15 15 GLN HB3 H 1 2.345 0.020 . . . . . . . . . . 6821 1 164 . 1 1 15 15 GLN HG2 H 1 2.185 0.020 . . . . . . . . . . 6821 1 165 . 1 1 15 15 GLN HG3 H 1 2.052 0.020 . . . . . . . . . . 6821 1 166 . 1 1 15 15 GLN HE21 H 1 7.408 0.020 . . . . . . . . . . 6821 1 167 . 1 1 15 15 GLN HE22 H 1 6.816 0.020 . . . . . . . . . . 6821 1 168 . 1 1 15 15 GLN C C 13 171.928 0.200 . . . . . . . . . . 6821 1 169 . 1 1 15 15 GLN CB C 13 30.359 0.200 . . . . . . . . . . 6821 1 170 . 1 1 15 15 GLN CG C 13 30.790 0.200 . . . . . . . . . . 6821 1 171 . 1 1 15 15 GLN N N 15 123.633 0.200 . . . . . . . . . . 6821 1 172 . 1 1 15 15 GLN NE2 N 15 111.593 0.200 . . . . . . . . . . 6821 1 173 . 1 1 16 16 GLY H H 1 8.237 0.020 . . . . . . . . . . 6821 1 174 . 1 1 16 16 GLY HA2 H 1 4.496 0.020 . . . . . . . . . . 6821 1 175 . 1 1 16 16 GLY HA3 H 1 4.516 0.020 . . . . . . . . . . 6821 1 176 . 1 1 16 16 GLY C C 13 168.361 0.200 . . . . . . . . . . 6821 1 177 . 1 1 16 16 GLY CA C 13 44.291 0.200 . . . . . . . . . . 6821 1 178 . 1 1 16 16 GLY N N 15 107.474 0.200 . . . . . . . . . . 6821 1 179 . 1 1 17 17 ILE H H 1 7.964 0.020 . . . . . . . . . . 6821 1 180 . 1 1 17 17 ILE HA H 1 4.733 0.020 . . . . . . . . . . 6821 1 181 . 1 1 17 17 ILE HB H 1 1.688 0.020 . . . . . . . . . . 6821 1 182 . 1 1 17 17 ILE HG12 H 1 0.993 0.020 . . . . . . . . . . 6821 1 183 . 1 1 17 17 ILE HG13 H 1 1.015 0.020 . . . . . . . . . . 6821 1 184 . 1 1 17 17 ILE HG21 H 1 0.678 0.020 . . . . . . . . . . 6821 1 185 . 1 1 17 17 ILE HG22 H 1 0.678 0.020 . . . . . . . . . . 6821 1 186 . 1 1 17 17 ILE HG23 H 1 0.678 0.020 . . . . . . . . . . 6821 1 187 . 1 1 17 17 ILE HD11 H 1 0.449 0.020 . . . . . . . . . . 6821 1 188 . 1 1 17 17 ILE HD12 H 1 0.449 0.020 . . . . . . . . . . 6821 1 189 . 1 1 17 17 ILE HD13 H 1 0.449 0.020 . . . . . . . . . . 6821 1 190 . 1 1 17 17 ILE C C 13 171.940 0.200 . . . . . . . . . . 6821 1 191 . 1 1 17 17 ILE CB C 13 38.919 0.200 . . . . . . . . . . 6821 1 192 . 1 1 17 17 ILE CG2 C 13 15.989 0.200 . . . . . . . . . . 6821 1 193 . 1 1 17 17 ILE CD1 C 13 11.847 0.200 . . . . . . . . . . 6821 1 194 . 1 1 17 17 ILE N N 15 120.828 0.200 . . . . . . . . . . 6821 1 195 . 1 1 18 18 ILE H H 1 8.749 0.020 . . . . . . . . . . 6821 1 196 . 1 1 18 18 ILE HA H 1 4.270 0.020 . . . . . . . . . . 6821 1 197 . 1 1 18 18 ILE HB H 1 1.575 0.020 . . . . . . . . . . 6821 1 198 . 1 1 18 18 ILE HG12 H 1 1.329 0.020 . . . . . . . . . . 6821 1 199 . 1 1 18 18 ILE HG13 H 1 1.329 0.020 . . . . . . . . . . 6821 1 200 . 1 1 18 18 ILE HG21 H 1 0.141 0.020 . . . . . . . . . . 6821 1 201 . 1 1 18 18 ILE HG22 H 1 0.141 0.020 . . . . . . . . . . 6821 1 202 . 1 1 18 18 ILE HG23 H 1 0.141 0.020 . . . . . . . . . . 6821 1 203 . 1 1 18 18 ILE HD11 H 1 0.447 0.020 . . . . . . . . . . 6821 1 204 . 1 1 18 18 ILE HD12 H 1 0.447 0.020 . . . . . . . . . . 6821 1 205 . 1 1 18 18 ILE HD13 H 1 0.447 0.020 . . . . . . . . . . 6821 1 206 . 1 1 18 18 ILE C C 13 169.726 0.200 . . . . . . . . . . 6821 1 207 . 1 1 18 18 ILE CA C 13 54.601 0.200 . . . . . . . . . . 6821 1 208 . 1 1 18 18 ILE CB C 13 35.328 0.200 . . . . . . . . . . 6821 1 209 . 1 1 18 18 ILE CG1 C 13 23.352 0.200 . . . . . . . . . . 6821 1 210 . 1 1 18 18 ILE CG2 C 13 16.679 0.200 . . . . . . . . . . 6821 1 211 . 1 1 18 18 ILE CD1 C 13 5.741 0.200 . . . . . . . . . . 6821 1 212 . 1 1 18 18 ILE N N 15 126.719 0.200 . . . . . . . . . . 6821 1 213 . 1 1 19 19 ASN H H 1 8.766 0.020 . . . . . . . . . . 6821 1 214 . 1 1 19 19 ASN HA H 1 4.775 0.020 . . . . . . . . . . 6821 1 215 . 1 1 19 19 ASN HB2 H 1 1.497 0.020 . . . . . . . . . . 6821 1 216 . 1 1 19 19 ASN HB3 H 1 1.497 0.020 . . . . . . . . . . 6821 1 217 . 1 1 19 19 ASN HD21 H 1 5.252 0.001 . . . . . . . . . . 6821 1 218 . 1 1 19 19 ASN HD22 H 1 6.522 0.002 . . . . . . . . . . 6821 1 219 . 1 1 19 19 ASN C C 13 169.682 0.200 . . . . . . . . . . 6821 1 220 . 1 1 19 19 ASN CB C 13 38.768 0.200 . . . . . . . . . . 6821 1 221 . 1 1 19 19 ASN N N 15 123.960 0.200 . . . . . . . . . . 6821 1 222 . 1 1 19 19 ASN ND2 N 15 111.546 0.200 . . . . . . . . . . 6821 1 223 . 1 1 20 20 PHE H H 1 8.396 0.020 . . . . . . . . . . 6821 1 224 . 1 1 20 20 PHE HA H 1 5.863 0.020 . . . . . . . . . . 6821 1 225 . 1 1 20 20 PHE HB2 H 1 2.688 0.020 . . . . . . . . . . 6821 1 226 . 1 1 20 20 PHE HB3 H 1 2.688 0.020 . . . . . . . . . . 6821 1 227 . 1 1 20 20 PHE HD1 H 1 6.852 0.020 . . . . . . . . . . 6821 1 228 . 1 1 20 20 PHE HD2 H 1 6.852 0.020 . . . . . . . . . . 6821 1 229 . 1 1 20 20 PHE HE1 H 1 6.812 0.020 . . . . . . . . . . 6821 1 230 . 1 1 20 20 PHE HE2 H 1 6.812 0.020 . . . . . . . . . . 6821 1 231 . 1 1 20 20 PHE C C 13 173.874 0.200 . . . . . . . . . . 6821 1 232 . 1 1 20 20 PHE CA C 13 53.234 0.200 . . . . . . . . . . 6821 1 233 . 1 1 20 20 PHE CB C 13 40.913 0.200 . . . . . . . . . . 6821 1 234 . 1 1 20 20 PHE N N 15 114.652 0.200 . . . . . . . . . . 6821 1 235 . 1 1 21 21 GLU H H 1 9.550 0.020 . . . . . . . . . . 6821 1 236 . 1 1 21 21 GLU HA H 1 5.325 0.020 . . . . . . . . . . 6821 1 237 . 1 1 21 21 GLU HB2 H 1 2.372 0.020 . . . . . . . . . . 6821 1 238 . 1 1 21 21 GLU HB3 H 1 2.299 0.003 . . . . . . . . . . 6821 1 239 . 1 1 21 21 GLU HG2 H 1 2.152 0.020 . . . . . . . . . . 6821 1 240 . 1 1 21 21 GLU HG3 H 1 2.152 0.020 . . . . . . . . . . 6821 1 241 . 1 1 21 21 GLU C C 13 171.164 0.200 . . . . . . . . . . 6821 1 242 . 1 1 21 21 GLU CA C 13 54.059 0.200 . . . . . . . . . . 6821 1 243 . 1 1 21 21 GLU CB C 13 31.930 0.200 . . . . . . . . . . 6821 1 244 . 1 1 21 21 GLU CG C 13 34.397 0.200 . . . . . . . . . . 6821 1 245 . 1 1 21 21 GLU N N 15 121.981 0.200 . . . . . . . . . . 6821 1 246 . 1 1 22 22 GLN H H 1 9.332 0.020 . . . . . . . . . . 6821 1 247 . 1 1 22 22 GLN HA H 1 4.945 0.020 . . . . . . . . . . 6821 1 248 . 1 1 22 22 GLN HB2 H 1 2.270 0.020 . . . . . . . . . . 6821 1 249 . 1 1 22 22 GLN HB3 H 1 2.270 0.020 . . . . . . . . . . 6821 1 250 . 1 1 22 22 GLN HG2 H 1 2.443 0.020 . . . . . . . . . . 6821 1 251 . 1 1 22 22 GLN HG3 H 1 2.443 0.020 . . . . . . . . . . 6821 1 252 . 1 1 22 22 GLN HE21 H 1 7.320 0.001 . . . . . . . . . . 6821 1 253 . 1 1 22 22 GLN HE22 H 1 8.353 0.020 . . . . . . . . . . 6821 1 254 . 1 1 22 22 GLN C C 13 171.905 0.200 . . . . . . . . . . 6821 1 255 . 1 1 22 22 GLN N N 15 130.868 0.200 . . . . . . . . . . 6821 1 256 . 1 1 22 22 GLN NE2 N 15 115.713 0.200 . . . . . . . . . . 6821 1 257 . 1 1 23 23 LYS H H 1 9.098 0.020 . . . . . . . . . . 6821 1 258 . 1 1 23 23 LYS HA H 1 4.134 0.020 . . . . . . . . . . 6821 1 259 . 1 1 23 23 LYS HB2 H 1 1.949 0.020 . . . . . . . . . . 6821 1 260 . 1 1 23 23 LYS HB3 H 1 1.949 0.020 . . . . . . . . . . 6821 1 261 . 1 1 23 23 LYS HG2 H 1 1.616 0.020 . . . . . . . . . . 6821 1 262 . 1 1 23 23 LYS HG3 H 1 1.481 0.020 . . . . . . . . . . 6821 1 263 . 1 1 23 23 LYS HD2 H 1 1.718 0.020 . . . . . . . . . . 6821 1 264 . 1 1 23 23 LYS HD3 H 1 1.718 0.020 . . . . . . . . . . 6821 1 265 . 1 1 23 23 LYS HE2 H 1 2.979 0.020 . . . . . . . . . . 6821 1 266 . 1 1 23 23 LYS HE3 H 1 2.979 0.020 . . . . . . . . . . 6821 1 267 . 1 1 23 23 LYS C C 13 173.978 0.200 . . . . . . . . . . 6821 1 268 . 1 1 23 23 LYS CA C 13 57.449 0.200 . . . . . . . . . . 6821 1 269 . 1 1 23 23 LYS CB C 13 30.623 0.200 . . . . . . . . . . 6821 1 270 . 1 1 23 23 LYS CG C 13 23.345 0.200 . . . . . . . . . . 6821 1 271 . 1 1 23 23 LYS CD C 13 26.719 0.200 . . . . . . . . . . 6821 1 272 . 1 1 23 23 LYS CE C 13 40.149 0.200 . . . . . . . . . . 6821 1 273 . 1 1 23 23 LYS N N 15 129.238 0.200 . . . . . . . . . . 6821 1 274 . 1 1 24 24 GLU H H 1 8.176 0.020 . . . . . . . . . . 6821 1 275 . 1 1 24 24 GLU HA H 1 4.694 0.020 . . . . . . . . . . 6821 1 276 . 1 1 24 24 GLU HB2 H 1 2.148 0.020 . . . . . . . . . . 6821 1 277 . 1 1 24 24 GLU HB3 H 1 1.845 0.020 . . . . . . . . . . 6821 1 278 . 1 1 24 24 GLU HG2 H 1 2.248 0.020 . . . . . . . . . . 6821 1 279 . 1 1 24 24 GLU HG3 H 1 2.248 0.020 . . . . . . . . . . 6821 1 280 . 1 1 24 24 GLU C C 13 174.660 0.200 . . . . . . . . . . 6821 1 281 . 1 1 24 24 GLU CA C 13 51.884 0.200 . . . . . . . . . . 6821 1 282 . 1 1 24 24 GLU CB C 13 30.008 0.200 . . . . . . . . . . 6821 1 283 . 1 1 24 24 GLU CG C 13 33.131 0.200 . . . . . . . . . . 6821 1 284 . 1 1 24 24 GLU N N 15 116.035 0.200 . . . . . . . . . . 6821 1 285 . 1 1 25 25 SER H H 1 8.815 0.020 . . . . . . . . . . 6821 1 286 . 1 1 25 25 SER HA H 1 4.006 0.020 . . . . . . . . . . 6821 1 287 . 1 1 25 25 SER HB2 H 1 3.826 0.020 . . . . . . . . . . 6821 1 288 . 1 1 25 25 SER HB3 H 1 3.826 0.020 . . . . . . . . . . 6821 1 289 . 1 1 25 25 SER C C 13 172.380 0.200 . . . . . . . . . . 6821 1 290 . 1 1 25 25 SER CA C 13 58.787 0.200 . . . . . . . . . . 6821 1 291 . 1 1 25 25 SER CB C 13 60.167 0.200 . . . . . . . . . . 6821 1 292 . 1 1 25 25 SER N N 15 118.771 0.200 . . . . . . . . . . 6821 1 293 . 1 1 26 26 ASN H H 1 8.454 0.020 . . . . . . . . . . 6821 1 294 . 1 1 26 26 ASN HA H 1 4.700 0.020 . . . . . . . . . . 6821 1 295 . 1 1 26 26 ASN HB2 H 1 2.933 0.020 . . . . . . . . . . 6821 1 296 . 1 1 26 26 ASN HB3 H 1 2.933 0.020 . . . . . . . . . . 6821 1 297 . 1 1 26 26 ASN HD21 H 1 7.578 0.020 . . . . . . . . . . 6821 1 298 . 1 1 26 26 ASN HD22 H 1 6.872 0.020 . . . . . . . . . . 6821 1 299 . 1 1 26 26 ASN C C 13 172.577 0.200 . . . . . . . . . . 6821 1 300 . 1 1 26 26 ASN CA C 13 51.884 0.200 . . . . . . . . . . 6821 1 301 . 1 1 26 26 ASN CB C 13 35.954 0.200 . . . . . . . . . . 6821 1 302 . 1 1 26 26 ASN N N 15 117.722 0.200 . . . . . . . . . . 6821 1 303 . 1 1 26 26 ASN ND2 N 15 113.335 0.200 . . . . . . . . . . 6821 1 304 . 1 1 27 27 GLY H H 1 8.000 0.020 . . . . . . . . . . 6821 1 305 . 1 1 27 27 GLY HA2 H 1 4.582 0.020 . . . . . . . . . . 6821 1 306 . 1 1 27 27 GLY HA3 H 1 3.996 0.020 . . . . . . . . . . 6821 1 307 . 1 1 27 27 GLY C C 13 169.659 0.200 . . . . . . . . . . 6821 1 308 . 1 1 27 27 GLY CA C 13 42.726 0.200 . . . . . . . . . . 6821 1 309 . 1 1 27 27 GLY N N 15 108.151 0.200 . . . . . . . . . . 6821 1 310 . 1 1 28 28 PRO HA H 1 4.604 0.020 . . . . . . . . . . 6821 1 311 . 1 1 28 28 PRO HB2 H 1 1.778 0.020 . . . . . . . . . . 6821 1 312 . 1 1 28 28 PRO HB3 H 1 2.172 0.020 . . . . . . . . . . 6821 1 313 . 1 1 28 28 PRO HG2 H 1 2.022 0.020 . . . . . . . . . . 6821 1 314 . 1 1 28 28 PRO HG3 H 1 2.022 0.020 . . . . . . . . . . 6821 1 315 . 1 1 28 28 PRO HD2 H 1 3.710 0.020 . . . . . . . . . . 6821 1 316 . 1 1 28 28 PRO HD3 H 1 3.710 0.020 . . . . . . . . . . 6821 1 317 . 1 1 28 28 PRO C C 13 173.735 0.200 . . . . . . . . . . 6821 1 318 . 1 1 28 28 PRO CA C 13 61.008 0.200 . . . . . . . . . . 6821 1 319 . 1 1 28 28 PRO CB C 13 30.355 0.200 . . . . . . . . . . 6821 1 320 . 1 1 28 28 PRO CG C 13 24.963 0.200 . . . . . . . . . . 6821 1 321 . 1 1 28 28 PRO CD C 13 47.742 0.200 . . . . . . . . . . 6821 1 322 . 1 1 29 29 VAL H H 1 9.062 0.020 . . . . . . . . . . 6821 1 323 . 1 1 29 29 VAL HA H 1 4.661 0.020 . . . . . . . . . . 6821 1 324 . 1 1 29 29 VAL HB H 1 2.164 0.020 . . . . . . . . . . 6821 1 325 . 1 1 29 29 VAL HG11 H 1 1.030 0.020 . . . . . . . . . . 6821 1 326 . 1 1 29 29 VAL HG12 H 1 1.030 0.020 . . . . . . . . . . 6821 1 327 . 1 1 29 29 VAL HG13 H 1 1.030 0.020 . . . . . . . . . . 6821 1 328 . 1 1 29 29 VAL HG21 H 1 0.890 0.020 . . . . . . . . . . 6821 1 329 . 1 1 29 29 VAL HG22 H 1 0.890 0.020 . . . . . . . . . . 6821 1 330 . 1 1 29 29 VAL HG23 H 1 0.890 0.020 . . . . . . . . . . 6821 1 331 . 1 1 29 29 VAL C C 13 173.029 0.200 . . . . . . . . . . 6821 1 332 . 1 1 29 29 VAL CA C 13 58.863 0.200 . . . . . . . . . . 6821 1 333 . 1 1 29 29 VAL CB C 13 31.286 0.200 . . . . . . . . . . 6821 1 334 . 1 1 29 29 VAL CG1 C 13 21.265 0.200 . . . . . . . . . . 6821 1 335 . 1 1 29 29 VAL CG2 C 13 21.511 0.200 . . . . . . . . . . 6821 1 336 . 1 1 29 29 VAL N N 15 121.857 0.200 . . . . . . . . . . 6821 1 337 . 1 1 30 30 LYS H H 1 9.227 0.020 . . . . . . . . . . 6821 1 338 . 1 1 30 30 LYS HA H 1 4.959 0.020 . . . . . . . . . . 6821 1 339 . 1 1 30 30 LYS HB2 H 1 2.069 0.020 . . . . . . . . . . 6821 1 340 . 1 1 30 30 LYS HB3 H 1 1.973 0.020 . . . . . . . . . . 6821 1 341 . 1 1 30 30 LYS HG2 H 1 1.465 0.020 . . . . . . . . . . 6821 1 342 . 1 1 30 30 LYS HG3 H 1 1.465 0.020 . . . . . . . . . . 6821 1 343 . 1 1 30 30 LYS HD2 H 1 1.615 0.020 . . . . . . . . . . 6821 1 344 . 1 1 30 30 LYS HD3 H 1 1.615 0.020 . . . . . . . . . . 6821 1 345 . 1 1 30 30 LYS C C 13 172.913 0.200 . . . . . . . . . . 6821 1 346 . 1 1 30 30 LYS CB C 13 32.091 0.200 . . . . . . . . . . 6821 1 347 . 1 1 30 30 LYS CG C 13 26.971 0.200 . . . . . . . . . . 6821 1 348 . 1 1 30 30 LYS CD C 13 23.157 0.200 . . . . . . . . . . 6821 1 349 . 1 1 30 30 LYS N N 15 128.438 0.200 . . . . . . . . . . 6821 1 350 . 1 1 31 31 VAL H H 1 9.316 0.020 . . . . . . . . . . 6821 1 351 . 1 1 31 31 VAL HA H 1 5.007 0.020 . . . . . . . . . . 6821 1 352 . 1 1 31 31 VAL HB H 1 2.120 0.020 . . . . . . . . . . 6821 1 353 . 1 1 31 31 VAL HG11 H 1 0.898 0.020 . . . . . . . . . . 6821 1 354 . 1 1 31 31 VAL HG12 H 1 0.898 0.020 . . . . . . . . . . 6821 1 355 . 1 1 31 31 VAL HG13 H 1 0.898 0.020 . . . . . . . . . . 6821 1 356 . 1 1 31 31 VAL HG21 H 1 0.334 0.020 . . . . . . . . . . 6821 1 357 . 1 1 31 31 VAL HG22 H 1 0.334 0.020 . . . . . . . . . . 6821 1 358 . 1 1 31 31 VAL HG23 H 1 0.334 0.020 . . . . . . . . . . 6821 1 359 . 1 1 31 31 VAL C C 13 173.005 0.200 . . . . . . . . . . 6821 1 360 . 1 1 31 31 VAL CB C 13 31.150 0.200 . . . . . . . . . . 6821 1 361 . 1 1 31 31 VAL CG1 C 13 18.750 0.200 . . . . . . . . . . 6821 1 362 . 1 1 31 31 VAL CG2 C 13 19.181 0.200 . . . . . . . . . . 6821 1 363 . 1 1 31 31 VAL N N 15 126.482 0.200 . . . . . . . . . . 6821 1 364 . 1 1 32 32 TRP H H 1 8.993 0.020 . . . . . . . . . . 6821 1 365 . 1 1 32 32 TRP HA H 1 5.563 0.001 . . . . . . . . . . 6821 1 366 . 1 1 32 32 TRP HB2 H 1 3.326 0.020 . . . . . . . . . . 6821 1 367 . 1 1 32 32 TRP HB3 H 1 3.490 0.020 . . . . . . . . . . 6821 1 368 . 1 1 32 32 TRP HD1 H 1 7.113 0.020 . . . . . . . . . . 6821 1 369 . 1 1 32 32 TRP HE1 H 1 10.296 0.001 . . . . . . . . . . 6821 1 370 . 1 1 32 32 TRP HE3 H 1 7.298 0.020 . . . . . . . . . . 6821 1 371 . 1 1 32 32 TRP HZ2 H 1 7.421 0.020 . . . . . . . . . . 6821 1 372 . 1 1 32 32 TRP HZ3 H 1 6.958 0.001 . . . . . . . . . . 6821 1 373 . 1 1 32 32 TRP HH2 H 1 6.856 0.020 . . . . . . . . . . 6821 1 374 . 1 1 32 32 TRP C C 13 170.956 0.200 . . . . . . . . . . 6821 1 375 . 1 1 32 32 TRP CA C 13 54.116 0.200 . . . . . . . . . . 6821 1 376 . 1 1 32 32 TRP CB C 13 30.302 0.200 . . . . . . . . . . 6821 1 377 . 1 1 32 32 TRP N N 15 126.396 0.200 . . . . . . . . . . 6821 1 378 . 1 1 32 32 TRP NE1 N 15 130.219 0.200 . . . . . . . . . . 6821 1 379 . 1 1 33 33 GLY H H 1 8.389 0.001 . . . . . . . . . . 6821 1 380 . 1 1 33 33 GLY HA2 H 1 3.907 0.001 . . . . . . . . . . 6821 1 381 . 1 1 33 33 GLY HA3 H 1 4.337 0.007 . . . . . . . . . . 6821 1 382 . 1 1 33 33 GLY C C 13 169.056 0.200 . . . . . . . . . . 6821 1 383 . 1 1 33 33 GLY CA C 13 42.910 0.200 . . . . . . . . . . 6821 1 384 . 1 1 33 33 GLY N N 15 108.703 0.200 . . . . . . . . . . 6821 1 385 . 1 1 34 34 SER H H 1 7.904 0.020 . . . . . . . . . . 6821 1 386 . 1 1 34 34 SER HA H 1 5.596 0.020 . . . . . . . . . . 6821 1 387 . 1 1 34 34 SER HB2 H 1 3.719 0.020 . . . . . . . . . . 6821 1 388 . 1 1 34 34 SER HB3 H 1 3.765 0.020 . . . . . . . . . . 6821 1 389 . 1 1 34 34 SER C C 13 170.585 0.200 . . . . . . . . . . 6821 1 390 . 1 1 34 34 SER CA C 13 54.759 0.200 . . . . . . . . . . 6821 1 391 . 1 1 34 34 SER CB C 13 62.775 0.200 . . . . . . . . . . 6821 1 392 . 1 1 34 34 SER N N 15 114.656 0.200 . . . . . . . . . . 6821 1 393 . 1 1 35 35 ILE H H 1 8.553 0.020 . . . . . . . . . . 6821 1 394 . 1 1 35 35 ILE HA H 1 4.594 0.020 . . . . . . . . . . 6821 1 395 . 1 1 35 35 ILE HB H 1 1.446 0.020 . . . . . . . . . . 6821 1 396 . 1 1 35 35 ILE HG12 H 1 1.404 0.020 . . . . . . . . . . 6821 1 397 . 1 1 35 35 ILE HG13 H 1 1.404 0.020 . . . . . . . . . . 6821 1 398 . 1 1 35 35 ILE HG21 H 1 0.680 0.020 . . . . . . . . . . 6821 1 399 . 1 1 35 35 ILE HG22 H 1 0.680 0.020 . . . . . . . . . . 6821 1 400 . 1 1 35 35 ILE HG23 H 1 0.680 0.020 . . . . . . . . . . 6821 1 401 . 1 1 35 35 ILE HD11 H 1 0.525 0.020 . . . . . . . . . . 6821 1 402 . 1 1 35 35 ILE HD12 H 1 0.525 0.020 . . . . . . . . . . 6821 1 403 . 1 1 35 35 ILE HD13 H 1 0.525 0.020 . . . . . . . . . . 6821 1 404 . 1 1 35 35 ILE C C 13 170.539 0.200 . . . . . . . . . . 6821 1 405 . 1 1 35 35 ILE CA C 13 57.901 0.200 . . . . . . . . . . 6821 1 406 . 1 1 35 35 ILE CG2 C 13 16.610 0.200 . . . . . . . . . . 6821 1 407 . 1 1 35 35 ILE CD1 C 13 12.192 0.200 . . . . . . . . . . 6821 1 408 . 1 1 35 35 ILE N N 15 123.649 0.200 . . . . . . . . . . 6821 1 409 . 1 1 36 36 LYS H H 1 9.135 0.020 . . . . . . . . . . 6821 1 410 . 1 1 36 36 LYS HA H 1 5.342 0.020 . . . . . . . . . . 6821 1 411 . 1 1 36 36 LYS HB2 H 1 1.865 0.020 . . . . . . . . . . 6821 1 412 . 1 1 36 36 LYS HB3 H 1 1.865 0.020 . . . . . . . . . . 6821 1 413 . 1 1 36 36 LYS HG2 H 1 1.364 0.020 . . . . . . . . . . 6821 1 414 . 1 1 36 36 LYS HG3 H 1 1.487 0.020 . . . . . . . . . . 6821 1 415 . 1 1 36 36 LYS HD2 H 1 1.625 0.020 . . . . . . . . . . 6821 1 416 . 1 1 36 36 LYS HD3 H 1 1.625 0.020 . . . . . . . . . . 6821 1 417 . 1 1 36 36 LYS HE2 H 1 2.914 0.020 . . . . . . . . . . 6821 1 418 . 1 1 36 36 LYS HE3 H 1 2.914 0.020 . . . . . . . . . . 6821 1 419 . 1 1 36 36 LYS C C 13 173.110 0.200 . . . . . . . . . . 6821 1 420 . 1 1 36 36 LYS CA C 13 52.461 0.200 . . . . . . . . . . 6821 1 421 . 1 1 36 36 LYS CB C 13 33.181 0.200 . . . . . . . . . . 6821 1 422 . 1 1 36 36 LYS CG C 13 22.201 0.200 . . . . . . . . . . 6821 1 423 . 1 1 36 36 LYS CD C 13 27.379 0.200 . . . . . . . . . . 6821 1 424 . 1 1 36 36 LYS CE C 13 40.149 0.200 . . . . . . . . . . 6821 1 425 . 1 1 36 36 LYS N N 15 124.669 0.200 . . . . . . . . . . 6821 1 426 . 1 1 37 37 GLY H H 1 8.252 0.020 . . . . . . . . . . 6821 1 427 . 1 1 37 37 GLY HA2 H 1 4.000 0.020 . . . . . . . . . . 6821 1 428 . 1 1 37 37 GLY HA3 H 1 3.610 0.020 . . . . . . . . . . 6821 1 429 . 1 1 37 37 GLY C C 13 172.322 0.200 . . . . . . . . . . 6821 1 430 . 1 1 37 37 GLY CA C 13 43.526 0.200 . . . . . . . . . . 6821 1 431 . 1 1 37 37 GLY N N 15 106.313 0.200 . . . . . . . . . . 6821 1 432 . 1 1 38 38 LEU H H 1 8.158 0.020 . . . . . . . . . . 6821 1 433 . 1 1 38 38 LEU HA H 1 4.052 0.020 . . . . . . . . . . 6821 1 434 . 1 1 38 38 LEU HB2 H 1 1.288 0.020 . . . . . . . . . . 6821 1 435 . 1 1 38 38 LEU HB3 H 1 0.531 0.020 . . . . . . . . . . 6821 1 436 . 1 1 38 38 LEU HG H 1 1.168 0.020 . . . . . . . . . . 6821 1 437 . 1 1 38 38 LEU HD11 H 1 0.309 0.002 . . . . . . . . . . 6821 1 438 . 1 1 38 38 LEU HD12 H 1 0.309 0.002 . . . . . . . . . . 6821 1 439 . 1 1 38 38 LEU HD13 H 1 0.309 0.002 . . . . . . . . . . 6821 1 440 . 1 1 38 38 LEU HD21 H 1 -0.025 0.002 . . . . . . . . . . 6821 1 441 . 1 1 38 38 LEU HD22 H 1 -0.025 0.002 . . . . . . . . . . 6821 1 442 . 1 1 38 38 LEU HD23 H 1 -0.025 0.002 . . . . . . . . . . 6821 1 443 . 1 1 38 38 LEU C C 13 174.685 0.200 . . . . . . . . . . 6821 1 444 . 1 1 38 38 LEU CA C 13 51.181 0.200 . . . . . . . . . . 6821 1 445 . 1 1 38 38 LEU CB C 13 41.760 0.200 . . . . . . . . . . 6821 1 446 . 1 1 38 38 LEU CD1 C 13 24.410 0.200 . . . . . . . . . . 6821 1 447 . 1 1 38 38 LEU CD2 C 13 21.511 0.200 . . . . . . . . . . 6821 1 448 . 1 1 38 38 LEU N N 15 120.976 0.200 . . . . . . . . . . 6821 1 449 . 1 1 39 39 THR H H 1 8.508 0.020 . . . . . . . . . . 6821 1 450 . 1 1 39 39 THR HA H 1 4.228 0.020 . . . . . . . . . . 6821 1 451 . 1 1 39 39 THR HB H 1 4.357 0.020 . . . . . . . . . . 6821 1 452 . 1 1 39 39 THR HG21 H 1 1.390 0.020 . . . . . . . . . . 6821 1 453 . 1 1 39 39 THR HG22 H 1 1.390 0.020 . . . . . . . . . . 6821 1 454 . 1 1 39 39 THR HG23 H 1 1.390 0.020 . . . . . . . . . . 6821 1 455 . 1 1 39 39 THR C C 13 173.842 0.200 . . . . . . . . . . 6821 1 456 . 1 1 39 39 THR CA C 13 59.120 0.200 . . . . . . . . . . 6821 1 457 . 1 1 39 39 THR CB C 13 67.734 0.200 . . . . . . . . . . 6821 1 458 . 1 1 39 39 THR N N 15 110.783 0.200 . . . . . . . . . . 6821 1 459 . 1 1 40 40 GLU H H 1 8.847 0.020 . . . . . . . . . . 6821 1 460 . 1 1 40 40 GLU HA H 1 3.749 0.020 . . . . . . . . . . 6821 1 461 . 1 1 40 40 GLU HB2 H 1 1.896 0.020 . . . . . . . . . . 6821 1 462 . 1 1 40 40 GLU HB3 H 1 1.863 0.020 . . . . . . . . . . 6821 1 463 . 1 1 40 40 GLU HG2 H 1 2.109 0.020 . . . . . . . . . . 6821 1 464 . 1 1 40 40 GLU HG3 H 1 2.109 0.020 . . . . . . . . . . 6821 1 465 . 1 1 40 40 GLU C C 13 173.886 0.200 . . . . . . . . . . 6821 1 466 . 1 1 40 40 GLU CA C 13 55.584 0.200 . . . . . . . . . . 6821 1 467 . 1 1 40 40 GLU CB C 13 27.916 0.200 . . . . . . . . . . 6821 1 468 . 1 1 40 40 GLU N N 15 126.496 0.200 . . . . . . . . . . 6821 1 469 . 1 1 41 41 GLY H H 1 8.759 0.020 . . . . . . . . . . 6821 1 470 . 1 1 41 41 GLY HA2 H 1 3.753 0.020 . . . . . . . . . . 6821 1 471 . 1 1 41 41 GLY HA3 H 1 4.676 0.020 . . . . . . . . . . 6821 1 472 . 1 1 41 41 GLY C C 13 170.817 0.200 . . . . . . . . . . 6821 1 473 . 1 1 41 41 GLY CA C 13 41.376 0.200 . . . . . . . . . . 6821 1 474 . 1 1 41 41 GLY N N 15 114.578 0.200 . . . . . . . . . . 6821 1 475 . 1 1 42 42 LEU H H 1 8.308 0.020 . . . . . . . . . . 6821 1 476 . 1 1 42 42 LEU HA H 1 4.767 0.020 . . . . . . . . . . 6821 1 477 . 1 1 42 42 LEU HB2 H 1 1.019 0.003 . . . . . . . . . . 6821 1 478 . 1 1 42 42 LEU HB3 H 1 1.625 0.020 . . . . . . . . . . 6821 1 479 . 1 1 42 42 LEU HG H 1 1.648 0.020 . . . . . . . . . . 6821 1 480 . 1 1 42 42 LEU HD11 H 1 0.783 0.020 . . . . . . . . . . 6821 1 481 . 1 1 42 42 LEU HD12 H 1 0.783 0.020 . . . . . . . . . . 6821 1 482 . 1 1 42 42 LEU HD13 H 1 0.783 0.020 . . . . . . . . . . 6821 1 483 . 1 1 42 42 LEU HD21 H 1 0.860 0.020 . . . . . . . . . . 6821 1 484 . 1 1 42 42 LEU HD22 H 1 0.860 0.020 . . . . . . . . . . 6821 1 485 . 1 1 42 42 LEU HD23 H 1 0.860 0.020 . . . . . . . . . . 6821 1 486 . 1 1 42 42 LEU C C 13 175.032 0.200 . . . . . . . . . . 6821 1 487 . 1 1 42 42 LEU CB C 13 41.857 0.200 . . . . . . . . . . 6821 1 488 . 1 1 42 42 LEU CG C 13 25.412 0.200 . . . . . . . . . . 6821 1 489 . 1 1 42 42 LEU CD1 C 13 22.201 0.200 . . . . . . . . . . 6821 1 490 . 1 1 42 42 LEU CD2 C 13 23.582 0.200 . . . . . . . . . . 6821 1 491 . 1 1 42 42 LEU N N 15 120.856 0.200 . . . . . . . . . . 6821 1 492 . 1 1 43 43 HIS H H 1 8.771 0.006 . . . . . . . . . . 6821 1 493 . 1 1 43 43 HIS HA H 1 4.268 0.020 . . . . . . . . . . 6821 1 494 . 1 1 43 43 HIS HB2 H 1 3.450 0.020 . . . . . . . . . . 6821 1 495 . 1 1 43 43 HIS HB3 H 1 2.566 0.020 . . . . . . . . . . 6821 1 496 . 1 1 43 43 HIS HD1 H 1 12.812 0.020 . . . . . . . . . . 6821 1 497 . 1 1 43 43 HIS HD2 H 1 7.079 0.020 . . . . . . . . . . 6821 1 498 . 1 1 43 43 HIS HE1 H 1 8.445 0.020 . . . . . . . . . . 6821 1 499 . 1 1 43 43 HIS HE2 H 1 14.116 0.020 . . . . . . . . . . 6821 1 500 . 1 1 43 43 HIS C C 13 172.276 0.200 . . . . . . . . . . 6821 1 501 . 1 1 43 43 HIS CA C 13 52.367 0.200 . . . . . . . . . . 6821 1 502 . 1 1 43 43 HIS CB C 13 29.739 0.200 . . . . . . . . . . 6821 1 503 . 1 1 43 43 HIS N N 15 114.654 0.200 . . . . . . . . . . 6821 1 504 . 1 1 44 44 GLY H H 1 9.020 0.020 . . . . . . . . . . 6821 1 505 . 1 1 44 44 GLY HA2 H 1 4.740 0.020 . . . . . . . . . . 6821 1 506 . 1 1 44 44 GLY HA3 H 1 3.066 0.020 . . . . . . . . . . 6821 1 507 . 1 1 44 44 GLY C C 13 169.392 0.200 . . . . . . . . . . 6821 1 508 . 1 1 44 44 GLY CA C 13 44.981 0.200 . . . . . . . . . . 6821 1 509 . 1 1 44 44 GLY N N 15 110.836 0.200 . . . . . . . . . . 6821 1 510 . 1 1 45 45 PHE H H 1 8.773 0.020 . . . . . . . . . . 6821 1 511 . 1 1 45 45 PHE HA H 1 5.508 0.020 . . . . . . . . . . 6821 1 512 . 1 1 45 45 PHE HB2 H 1 2.755 0.020 . . . . . . . . . . 6821 1 513 . 1 1 45 45 PHE HB3 H 1 3.088 0.020 . . . . . . . . . . 6821 1 514 . 1 1 45 45 PHE HD1 H 1 7.057 0.020 . . . . . . . . . . 6821 1 515 . 1 1 45 45 PHE HD2 H 1 7.057 0.020 . . . . . . . . . . 6821 1 516 . 1 1 45 45 PHE HE1 H 1 7.268 0.020 . . . . . . . . . . 6821 1 517 . 1 1 45 45 PHE HE2 H 1 7.268 0.020 . . . . . . . . . . 6821 1 518 . 1 1 45 45 PHE C C 13 170.712 0.200 . . . . . . . . . . 6821 1 519 . 1 1 45 45 PHE CA C 13 54.001 0.200 . . . . . . . . . . 6821 1 520 . 1 1 45 45 PHE CB C 13 40.137 0.200 . . . . . . . . . . 6821 1 521 . 1 1 45 45 PHE N N 15 127.760 0.200 . . . . . . . . . . 6821 1 522 . 1 1 46 46 HIS H H 1 8.521 0.020 . . . . . . . . . . 6821 1 523 . 1 1 46 46 HIS HA H 1 5.917 0.020 . . . . . . . . . . 6821 1 524 . 1 1 46 46 HIS HB2 H 1 2.666 0.020 . . . . . . . . . . 6821 1 525 . 1 1 46 46 HIS HB3 H 1 2.899 0.020 . . . . . . . . . . 6821 1 526 . 1 1 46 46 HIS HD1 H 1 14.450 0.020 . . . . . . . . . . 6821 1 527 . 1 1 46 46 HIS HD2 H 1 7.159 0.020 . . . . . . . . . . 6821 1 528 . 1 1 46 46 HIS HE1 H 1 8.110 0.020 . . . . . . . . . . 6821 1 529 . 1 1 46 46 HIS C C 13 173.307 0.200 . . . . . . . . . . 6821 1 530 . 1 1 46 46 HIS CA C 13 49.267 0.200 . . . . . . . . . . 6821 1 531 . 1 1 46 46 HIS N N 15 118.453 0.200 . . . . . . . . . . 6821 1 532 . 1 1 47 47 VAL H H 1 9.755 0.020 . . . . . . . . . . 6821 1 533 . 1 1 47 47 VAL HA H 1 4.766 0.020 . . . . . . . . . . 6821 1 534 . 1 1 47 47 VAL HB H 1 2.104 0.020 . . . . . . . . . . 6821 1 535 . 1 1 47 47 VAL HG11 H 1 0.859 0.020 . . . . . . . . . . 6821 1 536 . 1 1 47 47 VAL HG12 H 1 0.859 0.020 . . . . . . . . . . 6821 1 537 . 1 1 47 47 VAL HG13 H 1 0.859 0.020 . . . . . . . . . . 6821 1 538 . 1 1 47 47 VAL HG21 H 1 1.012 0.020 . . . . . . . . . . 6821 1 539 . 1 1 47 47 VAL HG22 H 1 1.012 0.020 . . . . . . . . . . 6821 1 540 . 1 1 47 47 VAL HG23 H 1 1.012 0.020 . . . . . . . . . . 6821 1 541 . 1 1 47 47 VAL C C 13 174.488 0.200 . . . . . . . . . . 6821 1 542 . 1 1 47 47 VAL CB C 13 30.337 0.200 . . . . . . . . . . 6821 1 543 . 1 1 47 47 VAL N N 15 121.869 0.200 . . . . . . . . . . 6821 1 544 . 1 1 48 48 HIS H H 1 9.998 0.020 . . . . . . . . . . 6821 1 545 . 1 1 48 48 HIS HA H 1 4.938 0.020 . . . . . . . . . . 6821 1 546 . 1 1 48 48 HIS HB2 H 1 2.768 0.020 . . . . . . . . . . 6821 1 547 . 1 1 48 48 HIS HB3 H 1 3.364 0.001 . . . . . . . . . . 6821 1 548 . 1 1 48 48 HIS HD2 H 1 6.840 0.020 . . . . . . . . . . 6821 1 549 . 1 1 48 48 HIS C C 13 171.801 0.200 . . . . . . . . . . 6821 1 550 . 1 1 48 48 HIS N N 15 130.189 0.200 . . . . . . . . . . 6821 1 551 . 1 1 49 49 GLU H H 1 8.731 0.020 . . . . . . . . . . 6821 1 552 . 1 1 49 49 GLU HA H 1 3.748 0.020 . . . . . . . . . . 6821 1 553 . 1 1 49 49 GLU HB2 H 1 1.650 0.020 . . . . . . . . . . 6821 1 554 . 1 1 49 49 GLU HB3 H 1 1.641 0.020 . . . . . . . . . . 6821 1 555 . 1 1 49 49 GLU HG2 H 1 1.259 0.020 . . . . . . . . . . 6821 1 556 . 1 1 49 49 GLU HG3 H 1 1.239 0.020 . . . . . . . . . . 6821 1 557 . 1 1 49 49 GLU C C 13 172.519 0.200 . . . . . . . . . . 6821 1 558 . 1 1 49 49 GLU CA C 13 59.477 0.200 . . . . . . . . . . 6821 1 559 . 1 1 49 49 GLU CB C 13 29.104 0.200 . . . . . . . . . . 6821 1 560 . 1 1 49 49 GLU N N 15 119.504 0.200 . . . . . . . . . . 6821 1 561 . 1 1 50 50 PHE H H 1 8.601 0.020 . . . . . . . . . . 6821 1 562 . 1 1 50 50 PHE HA H 1 5.037 0.020 . . . . . . . . . . 6821 1 563 . 1 1 50 50 PHE HB2 H 1 3.010 0.020 . . . . . . . . . . 6821 1 564 . 1 1 50 50 PHE HB3 H 1 3.625 0.020 . . . . . . . . . . 6821 1 565 . 1 1 50 50 PHE HD1 H 1 7.044 0.020 . . . . . . . . . . 6821 1 566 . 1 1 50 50 PHE HD2 H 1 7.044 0.020 . . . . . . . . . . 6821 1 567 . 1 1 50 50 PHE HE1 H 1 7.290 0.020 . . . . . . . . . . 6821 1 568 . 1 1 50 50 PHE HE2 H 1 7.326 0.020 . . . . . . . . . . 6821 1 569 . 1 1 50 50 PHE C C 13 175.924 0.200 . . . . . . . . . . 6821 1 570 . 1 1 50 50 PHE CB C 13 36.371 0.200 . . . . . . . . . . 6821 1 571 . 1 1 50 50 PHE N N 15 111.535 0.200 . . . . . . . . . . 6821 1 572 . 1 1 51 51 GLY H H 1 10.081 0.020 . . . . . . . . . . 6821 1 573 . 1 1 51 51 GLY HA2 H 1 4.315 0.020 . . . . . . . . . . 6821 1 574 . 1 1 51 51 GLY HA3 H 1 3.701 0.020 . . . . . . . . . . 6821 1 575 . 1 1 51 51 GLY C C 13 169.462 0.200 . . . . . . . . . . 6821 1 576 . 1 1 51 51 GLY N N 15 120.213 0.200 . . . . . . . . . . 6821 1 577 . 1 1 52 52 ASP H H 1 6.214 0.020 . . . . . . . . . . 6821 1 578 . 1 1 52 52 ASP HA H 1 4.459 0.020 . . . . . . . . . . 6821 1 579 . 1 1 52 52 ASP HB2 H 1 2.223 0.020 . . . . . . . . . . 6821 1 580 . 1 1 52 52 ASP HB3 H 1 3.197 0.020 . . . . . . . . . . 6821 1 581 . 1 1 52 52 ASP C C 13 174.322 0.200 . . . . . . . . . . 6821 1 582 . 1 1 52 52 ASP CB C 13 40.040 0.200 . . . . . . . . . . 6821 1 583 . 1 1 52 52 ASP N N 15 115.692 0.200 . . . . . . . . . . 6821 1 584 . 1 1 53 53 ASN H H 1 9.303 0.020 . . . . . . . . . . 6821 1 585 . 1 1 53 53 ASN HA H 1 5.101 0.020 . . . . . . . . . . 6821 1 586 . 1 1 53 53 ASN HB2 H 1 2.643 0.020 . . . . . . . . . . 6821 1 587 . 1 1 53 53 ASN HB3 H 1 2.617 0.020 . . . . . . . . . . 6821 1 588 . 1 1 53 53 ASN HD21 H 1 6.931 0.020 . . . . . . . . . . 6821 1 589 . 1 1 53 53 ASN HD22 H 1 6.536 0.020 . . . . . . . . . . 6821 1 590 . 1 1 53 53 ASN C C 13 174.787 0.200 . . . . . . . . . . 6821 1 591 . 1 1 53 53 ASN CB C 13 36.972 0.200 . . . . . . . . . . 6821 1 592 . 1 1 53 53 ASN N N 15 127.058 0.200 . . . . . . . . . . 6821 1 593 . 1 1 53 53 ASN ND2 N 15 106.386 0.200 . . . . . . . . . . 6821 1 594 . 1 1 54 54 THR H H 1 9.142 0.020 . . . . . . . . . . 6821 1 595 . 1 1 54 54 THR HA H 1 3.706 0.020 . . . . . . . . . . 6821 1 596 . 1 1 54 54 THR HB H 1 4.043 0.020 . . . . . . . . . . 6821 1 597 . 1 1 54 54 THR HG21 H 1 1.311 0.020 . . . . . . . . . . 6821 1 598 . 1 1 54 54 THR HG22 H 1 1.311 0.020 . . . . . . . . . . 6821 1 599 . 1 1 54 54 THR HG23 H 1 1.311 0.020 . . . . . . . . . . 6821 1 600 . 1 1 54 54 THR C C 13 173.284 0.200 . . . . . . . . . . 6821 1 601 . 1 1 54 54 THR CA C 13 62.602 0.200 . . . . . . . . . . 6821 1 602 . 1 1 54 54 THR CB C 13 66.781 0.200 . . . . . . . . . . 6821 1 603 . 1 1 54 54 THR CG2 C 13 19.375 0.200 . . . . . . . . . . 6821 1 604 . 1 1 54 54 THR N N 15 117.441 0.200 . . . . . . . . . . 6821 1 605 . 1 1 55 55 ALA H H 1 8.158 0.020 . . . . . . . . . . 6821 1 606 . 1 1 55 55 ALA HA H 1 4.788 0.020 . . . . . . . . . . 6821 1 607 . 1 1 55 55 ALA HB1 H 1 1.167 0.020 . . . . . . . . . . 6821 1 608 . 1 1 55 55 ALA HB2 H 1 1.167 0.020 . . . . . . . . . . 6821 1 609 . 1 1 55 55 ALA HB3 H 1 1.167 0.020 . . . . . . . . . . 6821 1 610 . 1 1 55 55 ALA C C 13 175.232 0.200 . . . . . . . . . . 6821 1 611 . 1 1 55 55 ALA CB C 13 15.663 0.200 . . . . . . . . . . 6821 1 612 . 1 1 55 55 ALA N N 15 125.766 0.200 . . . . . . . . . . 6821 1 613 . 1 1 56 56 GLY H H 1 7.354 0.020 . . . . . . . . . . 6821 1 614 . 1 1 56 56 GLY HA2 H 1 4.029 0.020 . . . . . . . . . . 6821 1 615 . 1 1 56 56 GLY HA3 H 1 3.589 0.020 . . . . . . . . . . 6821 1 616 . 1 1 56 56 GLY C C 13 172.564 0.200 . . . . . . . . . . 6821 1 617 . 1 1 56 56 GLY CA C 13 44.283 0.200 . . . . . . . . . . 6821 1 618 . 1 1 56 56 GLY N N 15 109.173 0.200 . . . . . . . . . . 6821 1 619 . 1 1 57 57 CYS H H 1 8.992 0.020 . . . . . . . . . . 6821 1 620 . 1 1 57 57 CYS HA H 1 4.345 0.020 . . . . . . . . . . 6821 1 621 . 1 1 57 57 CYS HB2 H 1 2.995 0.020 . . . . . . . . . . 6821 1 622 . 1 1 57 57 CYS HB3 H 1 2.492 0.020 . . . . . . . . . . 6821 1 623 . 1 1 57 57 CYS C C 13 174.957 0.200 . . . . . . . . . . 6821 1 624 . 1 1 57 57 CYS CA C 13 56.390 0.200 . . . . . . . . . . 6821 1 625 . 1 1 57 57 CYS CB C 13 26.126 0.200 . . . . . . . . . . 6821 1 626 . 1 1 57 57 CYS N N 15 121.060 0.200 . . . . . . . . . . 6821 1 627 . 1 1 58 58 THR H H 1 8.151 0.020 . . . . . . . . . . 6821 1 628 . 1 1 58 58 THR HA H 1 3.988 0.020 . . . . . . . . . . 6821 1 629 . 1 1 58 58 THR HB H 1 4.384 0.020 . . . . . . . . . . 6821 1 630 . 1 1 58 58 THR HG21 H 1 1.308 0.020 . . . . . . . . . . 6821 1 631 . 1 1 58 58 THR HG22 H 1 1.308 0.020 . . . . . . . . . . 6821 1 632 . 1 1 58 58 THR HG23 H 1 1.308 0.020 . . . . . . . . . . 6821 1 633 . 1 1 58 58 THR C C 13 172.500 0.200 . . . . . . . . . . 6821 1 634 . 1 1 58 58 THR CA C 13 63.375 0.200 . . . . . . . . . . 6821 1 635 . 1 1 58 58 THR CB C 13 65.363 0.200 . . . . . . . . . . 6821 1 636 . 1 1 58 58 THR CG2 C 13 21.511 0.200 . . . . . . . . . . 6821 1 637 . 1 1 58 58 THR N N 15 114.899 0.200 . . . . . . . . . . 6821 1 638 . 1 1 59 59 SER H H 1 7.335 0.020 . . . . . . . . . . 6821 1 639 . 1 1 59 59 SER HA H 1 4.532 0.020 . . . . . . . . . . 6821 1 640 . 1 1 59 59 SER HB2 H 1 3.559 0.020 . . . . . . . . . . 6821 1 641 . 1 1 59 59 SER HB3 H 1 4.001 0.020 . . . . . . . . . . 6821 1 642 . 1 1 59 59 SER C C 13 171.844 0.200 . . . . . . . . . . 6821 1 643 . 1 1 59 59 SER CA C 13 55.280 0.200 . . . . . . . . . . 6821 1 644 . 1 1 59 59 SER CB C 13 60.857 0.200 . . . . . . . . . . 6821 1 645 . 1 1 59 59 SER N N 15 110.521 0.200 . . . . . . . . . . 6821 1 646 . 1 1 60 60 ALA H H 1 6.871 0.020 . . . . . . . . . . 6821 1 647 . 1 1 60 60 ALA HA H 1 4.553 0.020 . . . . . . . . . . 6821 1 648 . 1 1 60 60 ALA HB1 H 1 1.406 0.020 . . . . . . . . . . 6821 1 649 . 1 1 60 60 ALA HB2 H 1 1.406 0.020 . . . . . . . . . . 6821 1 650 . 1 1 60 60 ALA HB3 H 1 1.406 0.020 . . . . . . . . . . 6821 1 651 . 1 1 60 60 ALA C C 13 173.919 0.200 . . . . . . . . . . 6821 1 652 . 1 1 60 60 ALA CA C 13 55.335 0.200 . . . . . . . . . . 6821 1 653 . 1 1 60 60 ALA CB C 13 16.183 0.200 . . . . . . . . . . 6821 1 654 . 1 1 60 60 ALA N N 15 120.541 0.200 . . . . . . . . . . 6821 1 655 . 1 1 61 61 GLY H H 1 7.988 0.020 . . . . . . . . . . 6821 1 656 . 1 1 61 61 GLY HA2 H 1 4.202 0.020 . . . . . . . . . . 6821 1 657 . 1 1 61 61 GLY HA3 H 1 3.753 0.020 . . . . . . . . . . 6821 1 658 . 1 1 61 61 GLY C C 13 170.277 0.200 . . . . . . . . . . 6821 1 659 . 1 1 61 61 GLY CA C 13 43.230 0.200 . . . . . . . . . . 6821 1 660 . 1 1 61 61 GLY N N 15 103.232 0.200 . . . . . . . . . . 6821 1 661 . 1 1 62 62 PRO HA H 1 5.212 0.020 . . . . . . . . . . 6821 1 662 . 1 1 62 62 PRO HB2 H 1 2.267 0.020 . . . . . . . . . . 6821 1 663 . 1 1 62 62 PRO HB3 H 1 2.119 0.020 . . . . . . . . . . 6821 1 664 . 1 1 62 62 PRO HG2 H 1 1.915 0.020 . . . . . . . . . . 6821 1 665 . 1 1 62 62 PRO HG3 H 1 1.915 0.020 . . . . . . . . . . 6821 1 666 . 1 1 62 62 PRO HD2 H 1 3.761 0.020 . . . . . . . . . . 6821 1 667 . 1 1 62 62 PRO HD3 H 1 3.655 0.020 . . . . . . . . . . 6821 1 668 . 1 1 62 62 PRO C C 13 173.750 0.200 . . . . . . . . . . 6821 1 669 . 1 1 62 62 PRO CA C 13 60.857 0.200 . . . . . . . . . . 6821 1 670 . 1 1 62 62 PRO CB C 13 30.485 0.200 . . . . . . . . . . 6821 1 671 . 1 1 63 63 HIS H H 1 7.714 0.008 . . . . . . . . . . 6821 1 672 . 1 1 63 63 HIS HA H 1 3.726 0.020 . . . . . . . . . . 6821 1 673 . 1 1 63 63 HIS HB2 H 1 2.548 0.020 . . . . . . . . . . 6821 1 674 . 1 1 63 63 HIS HB3 H 1 2.326 0.020 . . . . . . . . . . 6821 1 675 . 1 1 63 63 HIS HD2 H 1 6.278 0.020 . . . . . . . . . . 6821 1 676 . 1 1 63 63 HIS C C 13 172.797 0.200 . . . . . . . . . . 6821 1 677 . 1 1 63 63 HIS CA C 13 53.977 0.200 . . . . . . . . . . 6821 1 678 . 1 1 63 63 HIS CB C 13 28.414 0.200 . . . . . . . . . . 6821 1 679 . 1 1 63 63 HIS N N 15 116.755 0.200 . . . . . . . . . . 6821 1 680 . 1 1 64 64 PHE H H 1 8.662 0.020 . . . . . . . . . . 6821 1 681 . 1 1 64 64 PHE HA H 1 4.447 0.020 . . . . . . . . . . 6821 1 682 . 1 1 64 64 PHE HB2 H 1 2.596 0.020 . . . . . . . . . . 6821 1 683 . 1 1 64 64 PHE HB3 H 1 2.405 0.020 . . . . . . . . . . 6821 1 684 . 1 1 64 64 PHE HD1 H 1 7.355 0.020 . . . . . . . . . . 6821 1 685 . 1 1 64 64 PHE HD2 H 1 7.330 0.020 . . . . . . . . . . 6821 1 686 . 1 1 64 64 PHE HE1 H 1 8.510 0.020 . . . . . . . . . . 6821 1 687 . 1 1 64 64 PHE C C 13 172.267 0.200 . . . . . . . . . . 6821 1 688 . 1 1 64 64 PHE N N 15 121.169 0.200 . . . . . . . . . . 6821 1 689 . 1 1 65 65 ASN H H 1 9.464 0.020 . . . . . . . . . . 6821 1 690 . 1 1 65 65 ASN HA H 1 4.794 0.020 . . . . . . . . . . 6821 1 691 . 1 1 65 65 ASN HB2 H 1 2.752 0.020 . . . . . . . . . . 6821 1 692 . 1 1 65 65 ASN HB3 H 1 1.540 0.020 . . . . . . . . . . 6821 1 693 . 1 1 65 65 ASN HD21 H 1 7.880 0.020 . . . . . . . . . . 6821 1 694 . 1 1 65 65 ASN HD22 H 1 7.831 0.020 . . . . . . . . . . 6821 1 695 . 1 1 65 65 ASN C C 13 170.316 0.200 . . . . . . . . . . 6821 1 696 . 1 1 65 65 ASN CB C 13 37.388 0.200 . . . . . . . . . . 6821 1 697 . 1 1 65 65 ASN N N 15 128.107 0.200 . . . . . . . . . . 6821 1 698 . 1 1 65 65 ASN ND2 N 15 113.963 0.200 . . . . . . . . . . 6821 1 699 . 1 1 66 66 PRO HA H 1 4.387 0.020 . . . . . . . . . . 6821 1 700 . 1 1 66 66 PRO HB2 H 1 1.785 0.020 . . . . . . . . . . 6821 1 701 . 1 1 66 66 PRO HB3 H 1 2.048 0.020 . . . . . . . . . . 6821 1 702 . 1 1 66 66 PRO HG2 H 1 2.012 0.020 . . . . . . . . . . 6821 1 703 . 1 1 66 66 PRO HG3 H 1 1.973 0.020 . . . . . . . . . . 6821 1 704 . 1 1 66 66 PRO HD2 H 1 3.610 0.020 . . . . . . . . . . 6821 1 705 . 1 1 66 66 PRO HD3 H 1 3.550 0.020 . . . . . . . . . . 6821 1 706 . 1 1 66 66 PRO C C 13 174.491 0.200 . . . . . . . . . . 6821 1 707 . 1 1 66 66 PRO CA C 13 62.246 0.200 . . . . . . . . . . 6821 1 708 . 1 1 66 66 PRO CD C 13 45.671 0.200 . . . . . . . . . . 6821 1 709 . 1 1 67 67 LEU H H 1 7.587 0.020 . . . . . . . . . . 6821 1 710 . 1 1 67 67 LEU HA H 1 4.494 0.020 . . . . . . . . . . 6821 1 711 . 1 1 67 67 LEU HB2 H 1 1.738 0.020 . . . . . . . . . . 6821 1 712 . 1 1 67 67 LEU HB3 H 1 1.612 0.020 . . . . . . . . . . 6821 1 713 . 1 1 67 67 LEU HG H 1 1.202 0.020 . . . . . . . . . . 6821 1 714 . 1 1 67 67 LEU HD11 H 1 0.810 0.020 . . . . . . . . . . 6821 1 715 . 1 1 67 67 LEU HD12 H 1 0.810 0.020 . . . . . . . . . . 6821 1 716 . 1 1 67 67 LEU HD13 H 1 0.810 0.020 . . . . . . . . . . 6821 1 717 . 1 1 67 67 LEU HD21 H 1 0.810 0.020 . . . . . . . . . . 6821 1 718 . 1 1 67 67 LEU HD22 H 1 0.810 0.020 . . . . . . . . . . 6821 1 719 . 1 1 67 67 LEU HD23 H 1 0.810 0.020 . . . . . . . . . . 6821 1 720 . 1 1 67 67 LEU C C 13 173.284 0.200 . . . . . . . . . . 6821 1 721 . 1 1 67 67 LEU CA C 13 53.281 0.200 . . . . . . . . . . 6821 1 722 . 1 1 67 67 LEU CB C 13 37.881 0.200 . . . . . . . . . . 6821 1 723 . 1 1 67 67 LEU CG C 13 25.653 0.200 . . . . . . . . . . 6821 1 724 . 1 1 67 67 LEU CD1 C 13 22.892 0.200 . . . . . . . . . . 6821 1 725 . 1 1 67 67 LEU N N 15 117.466 0.200 . . . . . . . . . . 6821 1 726 . 1 1 68 68 SER H H 1 7.425 0.020 . . . . . . . . . . 6821 1 727 . 1 1 68 68 SER HA H 1 3.909 0.020 . . . . . . . . . . 6821 1 728 . 1 1 68 68 SER HB2 H 1 4.033 0.020 . . . . . . . . . . 6821 1 729 . 1 1 68 68 SER HB3 H 1 4.033 0.020 . . . . . . . . . . 6821 1 730 . 1 1 68 68 SER C C 13 171.547 0.200 . . . . . . . . . . 6821 1 731 . 1 1 68 68 SER CA C 13 56.806 0.200 . . . . . . . . . . 6821 1 732 . 1 1 68 68 SER CB C 13 58.787 0.200 . . . . . . . . . . 6821 1 733 . 1 1 68 68 SER N N 15 112.575 0.200 . . . . . . . . . . 6821 1 734 . 1 1 69 69 ARG H H 1 8.434 0.020 . . . . . . . . . . 6821 1 735 . 1 1 69 69 ARG HA H 1 4.662 0.020 . . . . . . . . . . 6821 1 736 . 1 1 69 69 ARG HB2 H 1 1.926 0.020 . . . . . . . . . . 6821 1 737 . 1 1 69 69 ARG HB3 H 1 1.802 0.020 . . . . . . . . . . 6821 1 738 . 1 1 69 69 ARG HG2 H 1 1.468 0.020 . . . . . . . . . . 6821 1 739 . 1 1 69 69 ARG HG3 H 1 1.468 0.020 . . . . . . . . . . 6821 1 740 . 1 1 69 69 ARG HD2 H 1 3.222 0.020 . . . . . . . . . . 6821 1 741 . 1 1 69 69 ARG HD3 H 1 3.222 0.020 . . . . . . . . . . 6821 1 742 . 1 1 69 69 ARG HE H 1 7.127 0.020 . . . . . . . . . . 6821 1 743 . 1 1 69 69 ARG C C 13 174.131 0.200 . . . . . . . . . . 6821 1 744 . 1 1 69 69 ARG CD C 13 40.149 0.200 . . . . . . . . . . 6821 1 745 . 1 1 69 69 ARG N N 15 120.841 0.200 . . . . . . . . . . 6821 1 746 . 1 1 69 69 ARG NE N 15 128.813 0.200 . . . . . . . . . . 6821 1 747 . 1 1 70 70 LYS H H 1 8.752 0.020 . . . . . . . . . . 6821 1 748 . 1 1 70 70 LYS HA H 1 4.513 0.020 . . . . . . . . . . 6821 1 749 . 1 1 70 70 LYS HB2 H 1 1.912 0.020 . . . . . . . . . . 6821 1 750 . 1 1 70 70 LYS HB3 H 1 1.647 0.020 . . . . . . . . . . 6821 1 751 . 1 1 70 70 LYS HG2 H 1 1.512 0.020 . . . . . . . . . . 6821 1 752 . 1 1 70 70 LYS HG3 H 1 1.512 0.020 . . . . . . . . . . 6821 1 753 . 1 1 70 70 LYS HE2 H 1 3.000 0.020 . . . . . . . . . . 6821 1 754 . 1 1 70 70 LYS HE3 H 1 3.000 0.020 . . . . . . . . . . 6821 1 755 . 1 1 70 70 LYS C C 13 170.700 0.200 . . . . . . . . . . 6821 1 756 . 1 1 70 70 LYS CA C 13 53.698 0.200 . . . . . . . . . . 6821 1 757 . 1 1 70 70 LYS CB C 13 31.006 0.200 . . . . . . . . . . 6821 1 758 . 1 1 70 70 LYS CG C 13 23.379 0.200 . . . . . . . . . . 6821 1 759 . 1 1 70 70 LYS N N 15 119.233 0.200 . . . . . . . . . . 6821 1 760 . 1 1 71 71 HIS H H 1 7.192 0.020 . . . . . . . . . . 6821 1 761 . 1 1 71 71 HIS HA H 1 2.968 0.020 . . . . . . . . . . 6821 1 762 . 1 1 71 71 HIS HB2 H 1 2.288 0.020 . . . . . . . . . . 6821 1 763 . 1 1 71 71 HIS HB3 H 1 2.561 0.020 . . . . . . . . . . 6821 1 764 . 1 1 71 71 HIS HD2 H 1 6.781 0.020 . . . . . . . . . . 6821 1 765 . 1 1 71 71 HIS HE1 H 1 7.437 0.005 . . . . . . . . . . 6821 1 766 . 1 1 71 71 HIS HE2 H 1 14.967 0.001 . . . . . . . . . . 6821 1 767 . 1 1 71 71 HIS C C 13 172.391 0.200 . . . . . . . . . . 6821 1 768 . 1 1 71 71 HIS CB C 13 29.228 0.200 . . . . . . . . . . 6821 1 769 . 1 1 71 71 HIS N N 15 112.589 0.200 . . . . . . . . . . 6821 1 770 . 1 1 72 72 GLY H H 1 7.191 0.020 . . . . . . . . . . 6821 1 771 . 1 1 72 72 GLY HA2 H 1 3.981 0.020 . . . . . . . . . . 6821 1 772 . 1 1 72 72 GLY HA3 H 1 3.833 0.020 . . . . . . . . . . 6821 1 773 . 1 1 72 72 GLY C C 13 169.324 0.200 . . . . . . . . . . 6821 1 774 . 1 1 72 72 GLY CA C 13 42.498 0.200 . . . . . . . . . . 6821 1 775 . 1 1 72 72 GLY N N 15 113.347 0.200 . . . . . . . . . . 6821 1 776 . 1 1 73 73 GLY H H 1 8.720 0.020 . . . . . . . . . . 6821 1 777 . 1 1 73 73 GLY HA2 H 1 3.762 0.020 . . . . . . . . . . 6821 1 778 . 1 1 73 73 GLY HA3 H 1 4.375 0.001 . . . . . . . . . . 6821 1 779 . 1 1 73 73 GLY C C 13 170.256 0.200 . . . . . . . . . . 6821 1 780 . 1 1 73 73 GLY CA C 13 42.203 0.200 . . . . . . . . . . 6821 1 781 . 1 1 73 73 GLY N N 15 106.335 0.200 . . . . . . . . . . 6821 1 782 . 1 1 74 74 PRO HA H 1 4.511 0.020 . . . . . . . . . . 6821 1 783 . 1 1 74 74 PRO HB2 H 1 2.521 0.020 . . . . . . . . . . 6821 1 784 . 1 1 74 74 PRO HB3 H 1 2.521 0.020 . . . . . . . . . . 6821 1 785 . 1 1 74 74 PRO HG2 H 1 2.048 0.020 . . . . . . . . . . 6821 1 786 . 1 1 74 74 PRO HG3 H 1 2.048 0.020 . . . . . . . . . . 6821 1 787 . 1 1 74 74 PRO HD2 H 1 3.792 0.020 . . . . . . . . . . 6821 1 788 . 1 1 74 74 PRO HD3 H 1 3.201 0.020 . . . . . . . . . . 6821 1 789 . 1 1 74 74 PRO C C 13 176.397 0.200 . . . . . . . . . . 6821 1 790 . 1 1 74 74 PRO CA C 13 61.548 0.200 . . . . . . . . . . 6821 1 791 . 1 1 74 74 PRO CB C 13 29.623 0.200 . . . . . . . . . . 6821 1 792 . 1 1 74 74 PRO CG C 13 25.423 0.200 . . . . . . . . . . 6821 1 793 . 1 1 74 74 PRO CD C 13 47.175 0.200 . . . . . . . . . . 6821 1 794 . 1 1 75 75 LYS H H 1 8.648 0.020 . . . . . . . . . . 6821 1 795 . 1 1 75 75 LYS HA H 1 4.374 0.020 . . . . . . . . . . 6821 1 796 . 1 1 75 75 LYS HB2 H 1 2.025 0.020 . . . . . . . . . . 6821 1 797 . 1 1 75 75 LYS HB3 H 1 1.762 0.020 . . . . . . . . . . 6821 1 798 . 1 1 75 75 LYS HG2 H 1 1.565 0.020 . . . . . . . . . . 6821 1 799 . 1 1 75 75 LYS HG3 H 1 1.427 0.020 . . . . . . . . . . 6821 1 800 . 1 1 75 75 LYS HD2 H 1 1.688 0.020 . . . . . . . . . . 6821 1 801 . 1 1 75 75 LYS HD3 H 1 1.688 0.020 . . . . . . . . . . 6821 1 802 . 1 1 75 75 LYS HE2 H 1 3.070 0.020 . . . . . . . . . . 6821 1 803 . 1 1 75 75 LYS HE3 H 1 3.070 0.020 . . . . . . . . . . 6821 1 804 . 1 1 75 75 LYS C C 13 174.343 0.200 . . . . . . . . . . 6821 1 805 . 1 1 75 75 LYS CA C 13 52.944 0.200 . . . . . . . . . . 6821 1 806 . 1 1 75 75 LYS CB C 13 29.215 0.200 . . . . . . . . . . 6821 1 807 . 1 1 75 75 LYS CG C 13 26.343 0.200 . . . . . . . . . . 6821 1 808 . 1 1 75 75 LYS CE C 13 40.010 0.200 . . . . . . . . . . 6821 1 809 . 1 1 75 75 LYS N N 15 115.763 0.200 . . . . . . . . . . 6821 1 810 . 1 1 76 76 ASP H H 1 7.492 0.020 . . . . . . . . . . 6821 1 811 . 1 1 76 76 ASP HA H 1 4.531 0.020 . . . . . . . . . . 6821 1 812 . 1 1 76 76 ASP HB2 H 1 2.657 0.020 . . . . . . . . . . 6821 1 813 . 1 1 76 76 ASP HB3 H 1 2.594 0.020 . . . . . . . . . . 6821 1 814 . 1 1 76 76 ASP C C 13 173.369 0.200 . . . . . . . . . . 6821 1 815 . 1 1 76 76 ASP CA C 13 52.332 0.200 . . . . . . . . . . 6821 1 816 . 1 1 76 76 ASP CB C 13 39.760 0.200 . . . . . . . . . . 6821 1 817 . 1 1 76 76 ASP N N 15 121.165 0.200 . . . . . . . . . . 6821 1 818 . 1 1 77 77 GLU H H 1 8.297 0.020 . . . . . . . . . . 6821 1 819 . 1 1 77 77 GLU HA H 1 3.977 0.020 . . . . . . . . . . 6821 1 820 . 1 1 77 77 GLU HB2 H 1 1.987 0.020 . . . . . . . . . . 6821 1 821 . 1 1 77 77 GLU HB3 H 1 1.987 0.020 . . . . . . . . . . 6821 1 822 . 1 1 77 77 GLU HG2 H 1 2.332 0.020 . . . . . . . . . . 6821 1 823 . 1 1 77 77 GLU HG3 H 1 2.332 0.020 . . . . . . . . . . 6821 1 824 . 1 1 77 77 GLU C C 13 174.851 0.200 . . . . . . . . . . 6821 1 825 . 1 1 77 77 GLU CA C 13 56.790 0.200 . . . . . . . . . . 6821 1 826 . 1 1 77 77 GLU CB C 13 27.440 0.200 . . . . . . . . . . 6821 1 827 . 1 1 77 77 GLU CG C 13 33.349 0.200 . . . . . . . . . . 6821 1 828 . 1 1 77 77 GLU N N 15 121.210 0.200 . . . . . . . . . . 6821 1 829 . 1 1 78 78 GLU H H 1 8.107 0.020 . . . . . . . . . . 6821 1 830 . 1 1 78 78 GLU HA H 1 4.154 0.020 . . . . . . . . . . 6821 1 831 . 1 1 78 78 GLU HB2 H 1 1.981 0.020 . . . . . . . . . . 6821 1 832 . 1 1 78 78 GLU HB3 H 1 1.791 0.020 . . . . . . . . . . 6821 1 833 . 1 1 78 78 GLU HG2 H 1 2.266 0.020 . . . . . . . . . . 6821 1 834 . 1 1 78 78 GLU HG3 H 1 1.910 0.020 . . . . . . . . . . 6821 1 835 . 1 1 78 78 GLU C C 13 169.027 0.200 . . . . . . . . . . 6821 1 836 . 1 1 78 78 GLU CA C 13 53.143 0.200 . . . . . . . . . . 6821 1 837 . 1 1 78 78 GLU CB C 13 25.554 0.200 . . . . . . . . . . 6821 1 838 . 1 1 78 78 GLU CG C 13 33.496 0.200 . . . . . . . . . . 6821 1 839 . 1 1 78 78 GLU N N 15 119.592 0.200 . . . . . . . . . . 6821 1 840 . 1 1 79 79 ARG H H 1 6.974 0.020 . . . . . . . . . . 6821 1 841 . 1 1 79 79 ARG HA H 1 4.665 0.020 . . . . . . . . . . 6821 1 842 . 1 1 79 79 ARG HB2 H 1 1.974 0.020 . . . . . . . . . . 6821 1 843 . 1 1 79 79 ARG HB3 H 1 1.624 0.020 . . . . . . . . . . 6821 1 844 . 1 1 79 79 ARG HG2 H 1 3.219 0.020 . . . . . . . . . . 6821 1 845 . 1 1 79 79 ARG HG3 H 1 3.219 0.020 . . . . . . . . . . 6821 1 846 . 1 1 79 79 ARG HD2 H 1 3.382 0.020 . . . . . . . . . . 6821 1 847 . 1 1 79 79 ARG HD3 H 1 3.382 0.020 . . . . . . . . . . 6821 1 848 . 1 1 79 79 ARG C C 13 172.797 0.200 . . . . . . . . . . 6821 1 849 . 1 1 79 79 ARG N N 15 119.093 0.200 . . . . . . . . . . 6821 1 850 . 1 1 80 80 HIS H H 1 8.274 0.020 . . . . . . . . . . 6821 1 851 . 1 1 80 80 HIS HA H 1 4.799 0.020 . . . . . . . . . . 6821 1 852 . 1 1 80 80 HIS HB2 H 1 2.795 0.020 . . . . . . . . . . 6821 1 853 . 1 1 80 80 HIS HB3 H 1 2.795 0.020 . . . . . . . . . . 6821 1 854 . 1 1 80 80 HIS HD2 H 1 6.747 0.020 . . . . . . . . . . 6821 1 855 . 1 1 80 80 HIS HE1 H 1 8.424 0.020 . . . . . . . . . . 6821 1 856 . 1 1 80 80 HIS HE2 H 1 12.811 0.020 . . . . . . . . . . 6821 1 857 . 1 1 80 80 HIS C C 13 176.270 0.200 . . . . . . . . . . 6821 1 858 . 1 1 80 80 HIS N N 15 118.409 0.200 . . . . . . . . . . 6821 1 859 . 1 1 81 81 VAL H H 1 7.820 0.020 . . . . . . . . . . 6821 1 860 . 1 1 81 81 VAL HA H 1 3.557 0.020 . . . . . . . . . . 6821 1 861 . 1 1 81 81 VAL HB H 1 1.187 0.020 . . . . . . . . . . 6821 1 862 . 1 1 81 81 VAL HG11 H 1 0.514 0.020 . . . . . . . . . . 6821 1 863 . 1 1 81 81 VAL HG12 H 1 0.514 0.020 . . . . . . . . . . 6821 1 864 . 1 1 81 81 VAL HG13 H 1 0.514 0.020 . . . . . . . . . . 6821 1 865 . 1 1 81 81 VAL HG21 H 1 0.897 0.020 . . . . . . . . . . 6821 1 866 . 1 1 81 81 VAL HG22 H 1 0.897 0.020 . . . . . . . . . . 6821 1 867 . 1 1 81 81 VAL HG23 H 1 0.897 0.020 . . . . . . . . . . 6821 1 868 . 1 1 81 81 VAL C C 13 174.322 0.200 . . . . . . . . . . 6821 1 869 . 1 1 81 81 VAL CB C 13 28.414 0.200 . . . . . . . . . . 6821 1 870 . 1 1 81 81 VAL CG1 C 13 19.440 0.200 . . . . . . . . . . 6821 1 871 . 1 1 81 81 VAL N N 15 128.468 0.200 . . . . . . . . . . 6821 1 872 . 1 1 82 82 GLY H H 1 8.382 0.020 . . . . . . . . . . 6821 1 873 . 1 1 82 82 GLY HA2 H 1 4.367 0.020 . . . . . . . . . . 6821 1 874 . 1 1 82 82 GLY HA3 H 1 4.104 0.020 . . . . . . . . . . 6821 1 875 . 1 1 82 82 GLY C C 13 170.658 0.200 . . . . . . . . . . 6821 1 876 . 1 1 82 82 GLY CA C 13 44.015 0.200 . . . . . . . . . . 6821 1 877 . 1 1 82 82 GLY N N 15 98.426 0.200 . . . . . . . . . . 6821 1 878 . 1 1 83 83 ASP H H 1 6.959 0.020 . . . . . . . . . . 6821 1 879 . 1 1 83 83 ASP HA H 1 4.866 0.020 . . . . . . . . . . 6821 1 880 . 1 1 83 83 ASP HB2 H 1 2.964 0.020 . . . . . . . . . . 6821 1 881 . 1 1 83 83 ASP HB3 H 1 2.747 0.020 . . . . . . . . . . 6821 1 882 . 1 1 83 83 ASP C C 13 169.536 0.200 . . . . . . . . . . 6821 1 883 . 1 1 83 83 ASP CB C 13 37.620 0.200 . . . . . . . . . . 6821 1 884 . 1 1 83 83 ASP N N 15 123.227 0.200 . . . . . . . . . . 6821 1 885 . 1 1 84 84 LEU H H 1 7.132 0.020 . . . . . . . . . . 6821 1 886 . 1 1 84 84 LEU HA H 1 4.605 0.020 . . . . . . . . . . 6821 1 887 . 1 1 84 84 LEU HB2 H 1 1.836 0.020 . . . . . . . . . . 6821 1 888 . 1 1 84 84 LEU HB3 H 1 1.836 0.020 . . . . . . . . . . 6821 1 889 . 1 1 84 84 LEU HG H 1 1.531 0.020 . . . . . . . . . . 6821 1 890 . 1 1 84 84 LEU HD11 H 1 0.865 0.020 . . . . . . . . . . 6821 1 891 . 1 1 84 84 LEU HD12 H 1 0.865 0.020 . . . . . . . . . . 6821 1 892 . 1 1 84 84 LEU HD13 H 1 0.865 0.020 . . . . . . . . . . 6821 1 893 . 1 1 84 84 LEU HD21 H 1 0.620 0.020 . . . . . . . . . . 6821 1 894 . 1 1 84 84 LEU HD22 H 1 0.620 0.020 . . . . . . . . . . 6821 1 895 . 1 1 84 84 LEU HD23 H 1 0.620 0.020 . . . . . . . . . . 6821 1 896 . 1 1 84 84 LEU C C 13 174.110 0.200 . . . . . . . . . . 6821 1 897 . 1 1 84 84 LEU CA C 13 51.801 0.200 . . . . . . . . . . 6821 1 898 . 1 1 84 84 LEU CB C 13 39.492 0.200 . . . . . . . . . . 6821 1 899 . 1 1 84 84 LEU CG C 13 24.014 0.200 . . . . . . . . . . 6821 1 900 . 1 1 84 84 LEU CD1 C 13 20.131 0.200 . . . . . . . . . . 6821 1 901 . 1 1 84 84 LEU CD2 C 13 23.582 0.200 . . . . . . . . . . 6821 1 902 . 1 1 84 84 LEU N N 15 119.795 0.200 . . . . . . . . . . 6821 1 903 . 1 1 85 85 GLY H H 1 8.409 0.020 . . . . . . . . . . 6821 1 904 . 1 1 85 85 GLY HA2 H 1 3.636 0.020 . . . . . . . . . . 6821 1 905 . 1 1 85 85 GLY HA3 H 1 4.050 0.020 . . . . . . . . . . 6821 1 906 . 1 1 85 85 GLY C C 13 168.816 0.200 . . . . . . . . . . 6821 1 907 . 1 1 85 85 GLY CA C 13 44.192 0.200 . . . . . . . . . . 6821 1 908 . 1 1 85 85 GLY N N 15 107.315 0.200 . . . . . . . . . . 6821 1 909 . 1 1 86 86 ASN H H 1 8.272 0.020 . . . . . . . . . . 6821 1 910 . 1 1 86 86 ASN HA H 1 5.831 0.020 . . . . . . . . . . 6821 1 911 . 1 1 86 86 ASN HB2 H 1 2.286 0.020 . . . . . . . . . . 6821 1 912 . 1 1 86 86 ASN HB3 H 1 2.540 0.020 . . . . . . . . . . 6821 1 913 . 1 1 86 86 ASN HD21 H 1 7.788 0.004 . . . . . . . . . . 6821 1 914 . 1 1 86 86 ASN HD22 H 1 8.099 0.020 . . . . . . . . . . 6821 1 915 . 1 1 86 86 ASN C C 13 174.046 0.200 . . . . . . . . . . 6821 1 916 . 1 1 86 86 ASN CA C 13 50.462 0.200 . . . . . . . . . . 6821 1 917 . 1 1 86 86 ASN CB C 13 42.224 0.200 . . . . . . . . . . 6821 1 918 . 1 1 86 86 ASN N N 15 119.093 0.200 . . . . . . . . . . 6821 1 919 . 1 1 86 86 ASN ND2 N 15 114.234 0.200 . . . . . . . . . . 6821 1 920 . 1 1 87 87 VAL H H 1 8.965 0.020 . . . . . . . . . . 6821 1 921 . 1 1 87 87 VAL HA H 1 4.573 0.020 . . . . . . . . . . 6821 1 922 . 1 1 87 87 VAL HB H 1 1.812 0.020 . . . . . . . . . . 6821 1 923 . 1 1 87 87 VAL HG11 H 1 0.432 0.020 . . . . . . . . . . 6821 1 924 . 1 1 87 87 VAL HG12 H 1 0.432 0.020 . . . . . . . . . . 6821 1 925 . 1 1 87 87 VAL HG13 H 1 0.432 0.020 . . . . . . . . . . 6821 1 926 . 1 1 87 87 VAL HG21 H 1 -0.004 0.020 . . . . . . . . . . 6821 1 927 . 1 1 87 87 VAL HG22 H 1 -0.004 0.020 . . . . . . . . . . 6821 1 928 . 1 1 87 87 VAL HG23 H 1 -0.004 0.020 . . . . . . . . . . 6821 1 929 . 1 1 87 87 VAL C C 13 172.204 0.200 . . . . . . . . . . 6821 1 930 . 1 1 87 87 VAL CA C 13 56.941 0.200 . . . . . . . . . . 6821 1 931 . 1 1 87 87 VAL CB C 13 29.797 0.200 . . . . . . . . . . 6821 1 932 . 1 1 87 87 VAL CG1 C 13 19.440 0.200 . . . . . . . . . . 6821 1 933 . 1 1 87 87 VAL N N 15 113.855 0.200 . . . . . . . . . . 6821 1 934 . 1 1 88 88 THR H H 1 8.686 0.020 . . . . . . . . . . 6821 1 935 . 1 1 88 88 THR HA H 1 4.663 0.020 . . . . . . . . . . 6821 1 936 . 1 1 88 88 THR HB H 1 3.927 0.020 . . . . . . . . . . 6821 1 937 . 1 1 88 88 THR HG21 H 1 1.025 0.020 . . . . . . . . . . 6821 1 938 . 1 1 88 88 THR HG22 H 1 1.025 0.020 . . . . . . . . . . 6821 1 939 . 1 1 88 88 THR HG23 H 1 1.025 0.020 . . . . . . . . . . 6821 1 940 . 1 1 88 88 THR C C 13 171.060 0.200 . . . . . . . . . . 6821 1 941 . 1 1 88 88 THR CA C 13 60.167 0.200 . . . . . . . . . . 6821 1 942 . 1 1 88 88 THR CB C 13 67.704 0.200 . . . . . . . . . . 6821 1 943 . 1 1 88 88 THR CG2 C 13 19.095 0.200 . . . . . . . . . . 6821 1 944 . 1 1 88 88 THR N N 15 118.486 0.200 . . . . . . . . . . 6821 1 945 . 1 1 89 89 ALA H H 1 9.391 0.020 . . . . . . . . . . 6821 1 946 . 1 1 89 89 ALA HA H 1 4.674 0.020 . . . . . . . . . . 6821 1 947 . 1 1 89 89 ALA HB1 H 1 1.280 0.020 . . . . . . . . . . 6821 1 948 . 1 1 89 89 ALA HB2 H 1 1.280 0.020 . . . . . . . . . . 6821 1 949 . 1 1 89 89 ALA HB3 H 1 1.280 0.020 . . . . . . . . . . 6821 1 950 . 1 1 89 89 ALA C C 13 175.042 0.200 . . . . . . . . . . 6821 1 951 . 1 1 89 89 ALA CA C 13 47.616 0.200 . . . . . . . . . . 6821 1 952 . 1 1 89 89 ALA N N 15 129.455 0.200 . . . . . . . . . . 6821 1 953 . 1 1 90 90 ASP H H 1 8.475 0.020 . . . . . . . . . . 6821 1 954 . 1 1 90 90 ASP HA H 1 4.582 0.020 . . . . . . . . . . 6821 1 955 . 1 1 90 90 ASP HB2 H 1 3.369 0.020 . . . . . . . . . . 6821 1 956 . 1 1 90 90 ASP HB3 H 1 2.860 0.020 . . . . . . . . . . 6821 1 957 . 1 1 90 90 ASP C C 13 174.618 0.200 . . . . . . . . . . 6821 1 958 . 1 1 90 90 ASP CA C 13 50.595 0.200 . . . . . . . . . . 6821 1 959 . 1 1 90 90 ASP CB C 13 39.380 0.200 . . . . . . . . . . 6821 1 960 . 1 1 90 90 ASP N N 15 125.042 0.200 . . . . . . . . . . 6821 1 961 . 1 1 91 91 LYS H H 1 8.210 0.020 . . . . . . . . . . 6821 1 962 . 1 1 91 91 LYS HA H 1 3.983 0.020 . . . . . . . . . . 6821 1 963 . 1 1 91 91 LYS HB2 H 1 1.902 0.020 . . . . . . . . . . 6821 1 964 . 1 1 91 91 LYS HB3 H 1 1.822 0.020 . . . . . . . . . . 6821 1 965 . 1 1 91 91 LYS HG2 H 1 1.391 0.020 . . . . . . . . . . 6821 1 966 . 1 1 91 91 LYS HG3 H 1 1.449 0.020 . . . . . . . . . . 6821 1 967 . 1 1 91 91 LYS HD2 H 1 1.676 0.020 . . . . . . . . . . 6821 1 968 . 1 1 91 91 LYS HD3 H 1 1.676 0.020 . . . . . . . . . . 6821 1 969 . 1 1 91 91 LYS C C 13 174.830 0.200 . . . . . . . . . . 6821 1 970 . 1 1 91 91 LYS CA C 13 56.467 0.200 . . . . . . . . . . 6821 1 971 . 1 1 91 91 LYS CB C 13 29.626 0.200 . . . . . . . . . . 6821 1 972 . 1 1 91 91 LYS CG C 13 21.637 0.200 . . . . . . . . . . 6821 1 973 . 1 1 91 91 LYS CD C 13 26.739 0.200 . . . . . . . . . . 6821 1 974 . 1 1 91 91 LYS N N 15 115.552 0.200 . . . . . . . . . . 6821 1 975 . 1 1 92 92 ASP H H 1 8.129 0.020 . . . . . . . . . . 6821 1 976 . 1 1 92 92 ASP HA H 1 4.785 0.020 . . . . . . . . . . 6821 1 977 . 1 1 92 92 ASP HB2 H 1 2.808 0.020 . . . . . . . . . . 6821 1 978 . 1 1 92 92 ASP HB3 H 1 2.921 0.020 . . . . . . . . . . 6821 1 979 . 1 1 92 92 ASP C C 13 173.771 0.200 . . . . . . . . . . 6821 1 980 . 1 1 92 92 ASP CB C 13 39.232 0.200 . . . . . . . . . . 6821 1 981 . 1 1 92 92 ASP N N 15 119.738 0.200 . . . . . . . . . . 6821 1 982 . 1 1 93 93 GLY H H 1 8.425 0.020 . . . . . . . . . . 6821 1 983 . 1 1 93 93 GLY HA2 H 1 3.856 0.020 . . . . . . . . . . 6821 1 984 . 1 1 93 93 GLY HA3 H 1 4.137 0.020 . . . . . . . . . . 6821 1 985 . 1 1 93 93 GLY C C 13 170.467 0.200 . . . . . . . . . . 6821 1 986 . 1 1 93 93 GLY CA C 13 44.962 0.200 . . . . . . . . . . 6821 1 987 . 1 1 93 93 GLY N N 15 111.511 0.200 . . . . . . . . . . 6821 1 988 . 1 1 94 94 VAL H H 1 7.845 0.020 . . . . . . . . . . 6821 1 989 . 1 1 94 94 VAL HA H 1 4.713 0.020 . . . . . . . . . . 6821 1 990 . 1 1 94 94 VAL HB H 1 2.185 0.020 . . . . . . . . . . 6821 1 991 . 1 1 94 94 VAL HG11 H 1 0.776 0.020 . . . . . . . . . . 6821 1 992 . 1 1 94 94 VAL HG12 H 1 0.776 0.020 . . . . . . . . . . 6821 1 993 . 1 1 94 94 VAL HG13 H 1 0.776 0.020 . . . . . . . . . . 6821 1 994 . 1 1 94 94 VAL HG21 H 1 0.862 0.020 . . . . . . . . . . 6821 1 995 . 1 1 94 94 VAL HG22 H 1 0.862 0.020 . . . . . . . . . . 6821 1 996 . 1 1 94 94 VAL HG23 H 1 0.862 0.020 . . . . . . . . . . 6821 1 997 . 1 1 94 94 VAL C C 13 174.194 0.200 . . . . . . . . . . 6821 1 998 . 1 1 94 94 VAL CB C 13 30.586 0.200 . . . . . . . . . . 6821 1 999 . 1 1 94 94 VAL CG1 C 13 18.644 0.200 . . . . . . . . . . 6821 1 1000 . 1 1 94 94 VAL CG2 C 13 19.785 0.200 . . . . . . . . . . 6821 1 1001 . 1 1 94 94 VAL N N 15 119.081 0.200 . . . . . . . . . . 6821 1 1002 . 1 1 95 95 ALA H H 1 9.735 0.020 . . . . . . . . . . 6821 1 1003 . 1 1 95 95 ALA HA H 1 5.155 0.020 . . . . . . . . . . 6821 1 1004 . 1 1 95 95 ALA HB1 H 1 0.767 0.020 . . . . . . . . . . 6821 1 1005 . 1 1 95 95 ALA HB2 H 1 0.767 0.020 . . . . . . . . . . 6821 1 1006 . 1 1 95 95 ALA HB3 H 1 0.767 0.020 . . . . . . . . . . 6821 1 1007 . 1 1 95 95 ALA C C 13 172.416 0.200 . . . . . . . . . . 6821 1 1008 . 1 1 95 95 ALA CA C 13 48.179 0.200 . . . . . . . . . . 6821 1 1009 . 1 1 95 95 ALA N N 15 131.942 0.200 . . . . . . . . . . 6821 1 1010 . 1 1 96 96 ASP H H 1 8.552 0.020 . . . . . . . . . . 6821 1 1011 . 1 1 96 96 ASP HA H 1 5.008 0.020 . . . . . . . . . . 6821 1 1012 . 1 1 96 96 ASP HB2 H 1 2.705 0.020 . . . . . . . . . . 6821 1 1013 . 1 1 96 96 ASP HB3 H 1 2.605 0.020 . . . . . . . . . . 6821 1 1014 . 1 1 96 96 ASP C C 13 173.263 0.200 . . . . . . . . . . 6821 1 1015 . 1 1 96 96 ASP CB C 13 38.941 0.200 . . . . . . . . . . 6821 1 1016 . 1 1 96 96 ASP N N 15 126.006 0.200 . . . . . . . . . . 6821 1 1017 . 1 1 97 97 VAL H H 1 8.695 0.020 . . . . . . . . . . 6821 1 1018 . 1 1 97 97 VAL HA H 1 4.042 0.020 . . . . . . . . . . 6821 1 1019 . 1 1 97 97 VAL HB H 1 1.594 0.020 . . . . . . . . . . 6821 1 1020 . 1 1 97 97 VAL HG11 H 1 0.688 0.020 . . . . . . . . . . 6821 1 1021 . 1 1 97 97 VAL HG12 H 1 0.688 0.020 . . . . . . . . . . 6821 1 1022 . 1 1 97 97 VAL HG13 H 1 0.688 0.020 . . . . . . . . . . 6821 1 1023 . 1 1 97 97 VAL HG21 H 1 0.477 0.020 . . . . . . . . . . 6821 1 1024 . 1 1 97 97 VAL HG22 H 1 0.477 0.020 . . . . . . . . . . 6821 1 1025 . 1 1 97 97 VAL HG23 H 1 0.477 0.020 . . . . . . . . . . 6821 1 1026 . 1 1 97 97 VAL C C 13 174.173 0.200 . . . . . . . . . . 6821 1 1027 . 1 1 97 97 VAL CA C 13 60.290 0.200 . . . . . . . . . . 6821 1 1028 . 1 1 97 97 VAL CB C 13 30.969 0.200 . . . . . . . . . . 6821 1 1029 . 1 1 97 97 VAL CG1 C 13 18.462 0.200 . . . . . . . . . . 6821 1 1030 . 1 1 97 97 VAL CG2 C 13 18.750 0.200 . . . . . . . . . . 6821 1 1031 . 1 1 97 97 VAL N N 15 126.408 0.200 . . . . . . . . . . 6821 1 1032 . 1 1 98 98 SER H H 1 8.767 0.020 . . . . . . . . . . 6821 1 1033 . 1 1 98 98 SER HA H 1 5.147 0.020 . . . . . . . . . . 6821 1 1034 . 1 1 98 98 SER HB2 H 1 3.908 0.020 . . . . . . . . . . 6821 1 1035 . 1 1 98 98 SER HB3 H 1 3.860 0.020 . . . . . . . . . . 6821 1 1036 . 1 1 98 98 SER C C 13 170.679 0.200 . . . . . . . . . . 6821 1 1037 . 1 1 98 98 SER CA C 13 56.137 0.200 . . . . . . . . . . 6821 1 1038 . 1 1 98 98 SER CB C 13 60.743 0.200 . . . . . . . . . . 6821 1 1039 . 1 1 98 98 SER N N 15 123.711 0.200 . . . . . . . . . . 6821 1 1040 . 1 1 99 99 ILE H H 1 9.406 0.020 . . . . . . . . . . 6821 1 1041 . 1 1 99 99 ILE HA H 1 4.778 0.020 . . . . . . . . . . 6821 1 1042 . 1 1 99 99 ILE HB H 1 1.817 0.020 . . . . . . . . . . 6821 1 1043 . 1 1 99 99 ILE HG12 H 1 1.495 0.020 . . . . . . . . . . 6821 1 1044 . 1 1 99 99 ILE HG13 H 1 1.187 0.020 . . . . . . . . . . 6821 1 1045 . 1 1 99 99 ILE HG21 H 1 1.039 0.020 . . . . . . . . . . 6821 1 1046 . 1 1 99 99 ILE HG22 H 1 1.039 0.020 . . . . . . . . . . 6821 1 1047 . 1 1 99 99 ILE HG23 H 1 1.039 0.020 . . . . . . . . . . 6821 1 1048 . 1 1 99 99 ILE HD11 H 1 0.990 0.020 . . . . . . . . . . 6821 1 1049 . 1 1 99 99 ILE HD12 H 1 0.990 0.020 . . . . . . . . . . 6821 1 1050 . 1 1 99 99 ILE HD13 H 1 0.990 0.020 . . . . . . . . . . 6821 1 1051 . 1 1 99 99 ILE C C 13 172.013 0.200 . . . . . . . . . . 6821 1 1052 . 1 1 99 99 ILE CB C 13 42.018 0.200 . . . . . . . . . . 6821 1 1053 . 1 1 99 99 ILE CG1 C 13 25.306 0.200 . . . . . . . . . . 6821 1 1054 . 1 1 99 99 ILE CG2 C 13 15.860 0.200 . . . . . . . . . . 6821 1 1055 . 1 1 99 99 ILE CD1 C 13 12.480 0.200 . . . . . . . . . . 6821 1 1056 . 1 1 99 99 ILE N N 15 126.161 0.200 . . . . . . . . . . 6821 1 1057 . 1 1 100 100 GLU H H 1 8.614 0.020 . . . . . . . . . . 6821 1 1058 . 1 1 100 100 GLU HA H 1 5.385 0.020 . . . . . . . . . . 6821 1 1059 . 1 1 100 100 GLU HB2 H 1 1.976 0.020 . . . . . . . . . . 6821 1 1060 . 1 1 100 100 GLU HB3 H 1 1.976 0.020 . . . . . . . . . . 6821 1 1061 . 1 1 100 100 GLU HG2 H 1 2.152 0.020 . . . . . . . . . . 6821 1 1062 . 1 1 100 100 GLU HG3 H 1 2.152 0.020 . . . . . . . . . . 6821 1 1063 . 1 1 100 100 GLU C C 13 172.924 0.200 . . . . . . . . . . 6821 1 1064 . 1 1 100 100 GLU CA C 13 53.359 0.200 . . . . . . . . . . 6821 1 1065 . 1 1 100 100 GLU CB C 13 30.434 0.200 . . . . . . . . . . 6821 1 1066 . 1 1 100 100 GLU CG C 13 34.627 0.200 . . . . . . . . . . 6821 1 1067 . 1 1 100 100 GLU N N 15 124.560 0.200 . . . . . . . . . . 6821 1 1068 . 1 1 101 101 ASP H H 1 9.319 0.020 . . . . . . . . . . 6821 1 1069 . 1 1 101 101 ASP HA H 1 5.153 0.020 . . . . . . . . . . 6821 1 1070 . 1 1 101 101 ASP HB2 H 1 2.376 0.020 . . . . . . . . . . 6821 1 1071 . 1 1 101 101 ASP HB3 H 1 2.577 0.020 . . . . . . . . . . 6821 1 1072 . 1 1 101 101 ASP C C 13 172.162 0.200 . . . . . . . . . . 6821 1 1073 . 1 1 101 101 ASP CA C 13 52.482 0.200 . . . . . . . . . . 6821 1 1074 . 1 1 101 101 ASP CB C 13 44.996 0.200 . . . . . . . . . . 6821 1 1075 . 1 1 101 101 ASP N N 15 126.614 0.200 . . . . . . . . . . 6821 1 1076 . 1 1 102 102 SER H H 1 8.995 0.020 . . . . . . . . . . 6821 1 1077 . 1 1 102 102 SER HA H 1 4.827 0.020 . . . . . . . . . . 6821 1 1078 . 1 1 102 102 SER HB2 H 1 3.947 0.020 . . . . . . . . . . 6821 1 1079 . 1 1 102 102 SER HB3 H 1 3.947 0.020 . . . . . . . . . . 6821 1 1080 . 1 1 102 102 SER C C 13 170.365 0.200 . . . . . . . . . . 6821 1 1081 . 1 1 102 102 SER CB C 13 62.238 0.200 . . . . . . . . . . 6821 1 1082 . 1 1 102 102 SER N N 15 119.118 0.200 . . . . . . . . . . 6821 1 1083 . 1 1 103 103 VAL H H 1 8.203 0.020 . . . . . . . . . . 6821 1 1084 . 1 1 103 103 VAL HA H 1 4.134 0.020 . . . . . . . . . . 6821 1 1085 . 1 1 103 103 VAL HB H 1 2.384 0.020 . . . . . . . . . . 6821 1 1086 . 1 1 103 103 VAL HG11 H 1 0.945 0.020 . . . . . . . . . . 6821 1 1087 . 1 1 103 103 VAL HG12 H 1 0.945 0.020 . . . . . . . . . . 6821 1 1088 . 1 1 103 103 VAL HG13 H 1 0.945 0.020 . . . . . . . . . . 6821 1 1089 . 1 1 103 103 VAL HG21 H 1 0.945 0.020 . . . . . . . . . . 6821 1 1090 . 1 1 103 103 VAL HG22 H 1 0.945 0.020 . . . . . . . . . . 6821 1 1091 . 1 1 103 103 VAL HG23 H 1 0.945 0.020 . . . . . . . . . . 6821 1 1092 . 1 1 103 103 VAL C C 13 176.185 0.200 . . . . . . . . . . 6821 1 1093 . 1 1 103 103 VAL CA C 13 62.703 0.200 . . . . . . . . . . 6821 1 1094 . 1 1 103 103 VAL CB C 13 30.165 0.200 . . . . . . . . . . 6821 1 1095 . 1 1 103 103 VAL CG1 C 13 21.511 0.200 . . . . . . . . . . 6821 1 1096 . 1 1 103 103 VAL N N 15 123.695 0.200 . . . . . . . . . . 6821 1 1097 . 1 1 104 104 ILE H H 1 8.106 0.020 . . . . . . . . . . 6821 1 1098 . 1 1 104 104 ILE HA H 1 4.172 0.020 . . . . . . . . . . 6821 1 1099 . 1 1 104 104 ILE HB H 1 1.821 0.020 . . . . . . . . . . 6821 1 1100 . 1 1 104 104 ILE HG12 H 1 1.321 0.020 . . . . . . . . . . 6821 1 1101 . 1 1 104 104 ILE HG13 H 1 1.321 0.020 . . . . . . . . . . 6821 1 1102 . 1 1 104 104 ILE HG21 H 1 1.053 0.020 . . . . . . . . . . 6821 1 1103 . 1 1 104 104 ILE HG22 H 1 1.053 0.020 . . . . . . . . . . 6821 1 1104 . 1 1 104 104 ILE HG23 H 1 1.053 0.020 . . . . . . . . . . 6821 1 1105 . 1 1 104 104 ILE HD11 H 1 0.883 0.020 . . . . . . . . . . 6821 1 1106 . 1 1 104 104 ILE HD12 H 1 0.883 0.020 . . . . . . . . . . 6821 1 1107 . 1 1 104 104 ILE HD13 H 1 0.883 0.020 . . . . . . . . . . 6821 1 1108 . 1 1 104 104 ILE C C 13 170.023 0.200 . . . . . . . . . . 6821 1 1109 . 1 1 104 104 ILE CA C 13 61.084 0.200 . . . . . . . . . . 6821 1 1110 . 1 1 104 104 ILE CB C 13 37.482 0.200 . . . . . . . . . . 6821 1 1111 . 1 1 104 104 ILE CG1 C 13 21.856 0.200 . . . . . . . . . . 6821 1 1112 . 1 1 104 104 ILE CG2 C 13 17.369 0.200 . . . . . . . . . . 6821 1 1113 . 1 1 104 104 ILE CD1 C 13 11.847 0.200 . . . . . . . . . . 6821 1 1114 . 1 1 104 104 ILE N N 15 112.163 0.200 . . . . . . . . . . 6821 1 1115 . 1 1 105 105 SER H H 1 7.035 0.020 . . . . . . . . . . 6821 1 1116 . 1 1 105 105 SER HA H 1 4.502 0.020 . . . . . . . . . . 6821 1 1117 . 1 1 105 105 SER HB2 H 1 3.856 0.020 . . . . . . . . . . 6821 1 1118 . 1 1 105 105 SER HB3 H 1 3.531 0.020 . . . . . . . . . . 6821 1 1119 . 1 1 105 105 SER C C 13 170.594 0.200 . . . . . . . . . . 6821 1 1120 . 1 1 105 105 SER CA C 13 53.955 0.200 . . . . . . . . . . 6821 1 1121 . 1 1 105 105 SER CB C 13 63.619 0.200 . . . . . . . . . . 6821 1 1122 . 1 1 105 105 SER N N 15 108.092 0.200 . . . . . . . . . . 6821 1 1123 . 1 1 106 106 LEU H H 1 8.472 0.020 . . . . . . . . . . 6821 1 1124 . 1 1 106 106 LEU HA H 1 4.652 0.020 . . . . . . . . . . 6821 1 1125 . 1 1 106 106 LEU HB2 H 1 1.924 0.020 . . . . . . . . . . 6821 1 1126 . 1 1 106 106 LEU HB3 H 1 1.602 0.020 . . . . . . . . . . 6821 1 1127 . 1 1 106 106 LEU HG H 1 1.452 0.020 . . . . . . . . . . 6821 1 1128 . 1 1 106 106 LEU HD11 H 1 0.668 0.020 . . . . . . . . . . 6821 1 1129 . 1 1 106 106 LEU HD12 H 1 0.668 0.020 . . . . . . . . . . 6821 1 1130 . 1 1 106 106 LEU HD13 H 1 0.668 0.020 . . . . . . . . . . 6821 1 1131 . 1 1 106 106 LEU HD21 H 1 0.418 0.020 . . . . . . . . . . 6821 1 1132 . 1 1 106 106 LEU HD22 H 1 0.418 0.020 . . . . . . . . . . 6821 1 1133 . 1 1 106 106 LEU HD23 H 1 0.418 0.020 . . . . . . . . . . 6821 1 1134 . 1 1 106 106 LEU C C 13 172.522 0.200 . . . . . . . . . . 6821 1 1135 . 1 1 106 106 LEU CA C 13 51.884 0.200 . . . . . . . . . . 6821 1 1136 . 1 1 106 106 LEU CB C 13 37.969 0.200 . . . . . . . . . . 6821 1 1137 . 1 1 106 106 LEU CG C 13 24.888 0.200 . . . . . . . . . . 6821 1 1138 . 1 1 106 106 LEU CD1 C 13 23.847 0.200 . . . . . . . . . . 6821 1 1139 . 1 1 106 106 LEU CD2 C 13 19.341 0.200 . . . . . . . . . . 6821 1 1140 . 1 1 106 106 LEU N N 15 121.581 0.200 . . . . . . . . . . 6821 1 1141 . 1 1 107 107 SER H H 1 8.163 0.020 . . . . . . . . . . 6821 1 1142 . 1 1 107 107 SER HA H 1 4.638 0.020 . . . . . . . . . . 6821 1 1143 . 1 1 107 107 SER HB2 H 1 3.846 0.020 . . . . . . . . . . 6821 1 1144 . 1 1 107 107 SER HB3 H 1 3.846 0.020 . . . . . . . . . . 6821 1 1145 . 1 1 107 107 SER HG H 1 5.718 0.020 . . . . . . . . . . 6821 1 1146 . 1 1 107 107 SER C C 13 171.526 0.200 . . . . . . . . . . 6821 1 1147 . 1 1 107 107 SER CA C 13 55.809 0.200 . . . . . . . . . . 6821 1 1148 . 1 1 107 107 SER CB C 13 63.532 0.200 . . . . . . . . . . 6821 1 1149 . 1 1 107 107 SER N N 15 111.156 0.200 . . . . . . . . . . 6821 1 1150 . 1 1 108 108 GLY H H 1 8.734 0.020 . . . . . . . . . . 6821 1 1151 . 1 1 108 108 GLY HA2 H 1 3.908 0.020 . . . . . . . . . . 6821 1 1152 . 1 1 108 108 GLY HA3 H 1 4.269 0.020 . . . . . . . . . . 6821 1 1153 . 1 1 108 108 GLY C C 13 173.432 0.200 . . . . . . . . . . 6821 1 1154 . 1 1 108 108 GLY CA C 13 43.131 0.200 . . . . . . . . . . 6821 1 1155 . 1 1 108 108 GLY N N 15 108.356 0.200 . . . . . . . . . . 6821 1 1156 . 1 1 109 109 ASP H H 1 8.766 0.020 . . . . . . . . . . 6821 1 1157 . 1 1 109 109 ASP HA H 1 4.409 0.020 . . . . . . . . . . 6821 1 1158 . 1 1 109 109 ASP HB2 H 1 2.557 0.020 . . . . . . . . . . 6821 1 1159 . 1 1 109 109 ASP HB3 H 1 2.679 0.020 . . . . . . . . . . 6821 1 1160 . 1 1 109 109 ASP C C 13 176.037 0.200 . . . . . . . . . . 6821 1 1161 . 1 1 109 109 ASP CA C 13 54.848 0.200 . . . . . . . . . . 6821 1 1162 . 1 1 109 109 ASP CB C 13 37.880 0.200 . . . . . . . . . . 6821 1 1163 . 1 1 109 109 ASP N N 15 120.870 0.200 . . . . . . . . . . 6821 1 1164 . 1 1 110 110 HIS H H 1 9.399 0.020 . . . . . . . . . . 6821 1 1165 . 1 1 110 110 HIS HA H 1 4.968 0.020 . . . . . . . . . . 6821 1 1166 . 1 1 110 110 HIS HB2 H 1 3.568 0.020 . . . . . . . . . . 6821 1 1167 . 1 1 110 110 HIS HB3 H 1 3.276 0.020 . . . . . . . . . . 6821 1 1168 . 1 1 110 110 HIS HD2 H 1 6.986 0.020 . . . . . . . . . . 6821 1 1169 . 1 1 110 110 HIS HE1 H 1 7.360 0.020 . . . . . . . . . . 6821 1 1170 . 1 1 110 110 HIS C C 13 170.594 0.200 . . . . . . . . . . 6821 1 1171 . 1 1 110 110 HIS CB C 13 25.667 0.200 . . . . . . . . . . 6821 1 1172 . 1 1 110 110 HIS N N 15 117.071 0.200 . . . . . . . . . . 6821 1 1173 . 1 1 111 111 SER H H 1 7.245 0.020 . . . . . . . . . . 6821 1 1174 . 1 1 111 111 SER HA H 1 4.026 0.020 . . . . . . . . . . 6821 1 1175 . 1 1 111 111 SER HB2 H 1 3.763 0.020 . . . . . . . . . . 6821 1 1176 . 1 1 111 111 SER HB3 H 1 3.548 0.020 . . . . . . . . . . 6821 1 1177 . 1 1 111 111 SER C C 13 174.703 0.200 . . . . . . . . . . 6821 1 1178 . 1 1 111 111 SER CA C 13 55.787 0.200 . . . . . . . . . . 6821 1 1179 . 1 1 111 111 SER CB C 13 61.723 0.200 . . . . . . . . . . 6821 1 1180 . 1 1 111 111 SER N N 15 110.847 0.200 . . . . . . . . . . 6821 1 1181 . 1 1 112 112 ILE H H 1 7.829 0.020 . . . . . . . . . . 6821 1 1182 . 1 1 112 112 ILE HA H 1 3.766 0.020 . . . . . . . . . . 6821 1 1183 . 1 1 112 112 ILE HB H 1 1.936 0.020 . . . . . . . . . . 6821 1 1184 . 1 1 112 112 ILE HG12 H 1 0.646 0.020 . . . . . . . . . . 6821 1 1185 . 1 1 112 112 ILE HG13 H 1 0.882 0.020 . . . . . . . . . . 6821 1 1186 . 1 1 112 112 ILE HG21 H 1 1.016 0.020 . . . . . . . . . . 6821 1 1187 . 1 1 112 112 ILE HG22 H 1 1.016 0.020 . . . . . . . . . . 6821 1 1188 . 1 1 112 112 ILE HG23 H 1 1.016 0.020 . . . . . . . . . . 6821 1 1189 . 1 1 112 112 ILE HD11 H 1 0.260 0.020 . . . . . . . . . . 6821 1 1190 . 1 1 112 112 ILE HD12 H 1 0.260 0.020 . . . . . . . . . . 6821 1 1191 . 1 1 112 112 ILE HD13 H 1 0.260 0.020 . . . . . . . . . . 6821 1 1192 . 1 1 112 112 ILE C C 13 172.119 0.200 . . . . . . . . . . 6821 1 1193 . 1 1 112 112 ILE CA C 13 58.635 0.200 . . . . . . . . . . 6821 1 1194 . 1 1 112 112 ILE CB C 13 34.457 0.200 . . . . . . . . . . 6821 1 1195 . 1 1 112 112 ILE CG1 C 13 22.004 0.200 . . . . . . . . . . 6821 1 1196 . 1 1 112 112 ILE CG2 C 13 15.989 0.200 . . . . . . . . . . 6821 1 1197 . 1 1 112 112 ILE CD1 C 13 12.123 0.200 . . . . . . . . . . 6821 1 1198 . 1 1 112 112 ILE N N 15 117.075 0.200 . . . . . . . . . . 6821 1 1199 . 1 1 113 113 ILE H H 1 7.648 0.020 . . . . . . . . . . 6821 1 1200 . 1 1 113 113 ILE HA H 1 3.251 0.020 . . . . . . . . . . 6821 1 1201 . 1 1 113 113 ILE HB H 1 1.700 0.020 . . . . . . . . . . 6821 1 1202 . 1 1 113 113 ILE HG12 H 1 1.434 0.020 . . . . . . . . . . 6821 1 1203 . 1 1 113 113 ILE HG13 H 1 1.145 0.020 . . . . . . . . . . 6821 1 1204 . 1 1 113 113 ILE HG21 H 1 0.815 0.020 . . . . . . . . . . 6821 1 1205 . 1 1 113 113 ILE HG22 H 1 0.815 0.020 . . . . . . . . . . 6821 1 1206 . 1 1 113 113 ILE HG23 H 1 0.815 0.020 . . . . . . . . . . 6821 1 1207 . 1 1 113 113 ILE HD11 H 1 0.651 0.020 . . . . . . . . . . 6821 1 1208 . 1 1 113 113 ILE HD12 H 1 0.651 0.020 . . . . . . . . . . 6821 1 1209 . 1 1 113 113 ILE HD13 H 1 0.651 0.020 . . . . . . . . . . 6821 1 1210 . 1 1 113 113 ILE C C 13 174.364 0.200 . . . . . . . . . . 6821 1 1211 . 1 1 113 113 ILE CA C 13 59.294 0.200 . . . . . . . . . . 6821 1 1212 . 1 1 113 113 ILE CB C 13 32.769 0.200 . . . . . . . . . . 6821 1 1213 . 1 1 113 113 ILE CG1 C 13 25.340 0.200 . . . . . . . . . . 6821 1 1214 . 1 1 113 113 ILE CG2 C 13 16.580 0.200 . . . . . . . . . . 6821 1 1215 . 1 1 113 113 ILE CD1 C 13 9.733 0.200 . . . . . . . . . . 6821 1 1216 . 1 1 113 113 ILE N N 15 121.952 0.200 . . . . . . . . . . 6821 1 1217 . 1 1 114 114 GLY H H 1 9.690 0.020 . . . . . . . . . . 6821 1 1218 . 1 1 114 114 GLY HA2 H 1 3.434 0.020 . . . . . . . . . . 6821 1 1219 . 1 1 114 114 GLY HA3 H 1 4.189 0.020 . . . . . . . . . . 6821 1 1220 . 1 1 114 114 GLY C C 13 170.340 0.200 . . . . . . . . . . 6821 1 1221 . 1 1 114 114 GLY CA C 13 43.076 0.200 . . . . . . . . . . 6821 1 1222 . 1 1 114 114 GLY N N 15 113.643 0.200 . . . . . . . . . . 6821 1 1223 . 1 1 115 115 ARG H H 1 7.408 0.020 . . . . . . . . . . 6821 1 1224 . 1 1 115 115 ARG HA H 1 4.446 0.020 . . . . . . . . . . 6821 1 1225 . 1 1 115 115 ARG HB2 H 1 1.155 0.020 . . . . . . . . . . 6821 1 1226 . 1 1 115 115 ARG HB3 H 1 1.117 0.020 . . . . . . . . . . 6821 1 1227 . 1 1 115 115 ARG HG2 H 1 0.947 0.020 . . . . . . . . . . 6821 1 1228 . 1 1 115 115 ARG HG3 H 1 0.947 0.020 . . . . . . . . . . 6821 1 1229 . 1 1 115 115 ARG HD2 H 1 2.225 0.020 . . . . . . . . . . 6821 1 1230 . 1 1 115 115 ARG HD3 H 1 1.165 0.020 . . . . . . . . . . 6821 1 1231 . 1 1 115 115 ARG C C 13 171.886 0.200 . . . . . . . . . . 6821 1 1232 . 1 1 115 115 ARG CA C 13 52.568 0.200 . . . . . . . . . . 6821 1 1233 . 1 1 115 115 ARG N N 15 118.801 0.200 . . . . . . . . . . 6821 1 1234 . 1 1 116 116 THR H H 1 6.970 0.020 . . . . . . . . . . 6821 1 1235 . 1 1 116 116 THR HA H 1 5.070 0.020 . . . . . . . . . . 6821 1 1236 . 1 1 116 116 THR HB H 1 3.617 0.020 . . . . . . . . . . 6821 1 1237 . 1 1 116 116 THR HG21 H 1 1.095 0.020 . . . . . . . . . . 6821 1 1238 . 1 1 116 116 THR HG22 H 1 1.095 0.020 . . . . . . . . . . 6821 1 1239 . 1 1 116 116 THR HG23 H 1 1.095 0.020 . . . . . . . . . . 6821 1 1240 . 1 1 116 116 THR C C 13 171.082 0.200 . . . . . . . . . . 6821 1 1241 . 1 1 116 116 THR CB C 13 68.372 0.200 . . . . . . . . . . 6821 1 1242 . 1 1 116 116 THR CG2 C 13 22.611 0.200 . . . . . . . . . . 6821 1 1243 . 1 1 116 116 THR N N 15 111.881 0.200 . . . . . . . . . . 6821 1 1244 . 1 1 117 117 LEU H H 1 8.803 0.020 . . . . . . . . . . 6821 1 1245 . 1 1 117 117 LEU HA H 1 4.934 0.020 . . . . . . . . . . 6821 1 1246 . 1 1 117 117 LEU HB2 H 1 1.007 0.020 . . . . . . . . . . 6821 1 1247 . 1 1 117 117 LEU HB3 H 1 1.717 0.020 . . . . . . . . . . 6821 1 1248 . 1 1 117 117 LEU HG H 1 1.135 0.020 . . . . . . . . . . 6821 1 1249 . 1 1 117 117 LEU HD11 H 1 0.808 0.003 . . . . . . . . . . 6821 1 1250 . 1 1 117 117 LEU HD12 H 1 0.808 0.003 . . . . . . . . . . 6821 1 1251 . 1 1 117 117 LEU HD13 H 1 0.808 0.003 . . . . . . . . . . 6821 1 1252 . 1 1 117 117 LEU HD21 H 1 0.193 0.020 . . . . . . . . . . 6821 1 1253 . 1 1 117 117 LEU HD22 H 1 0.193 0.020 . . . . . . . . . . 6821 1 1254 . 1 1 117 117 LEU HD23 H 1 0.193 0.020 . . . . . . . . . . 6821 1 1255 . 1 1 117 117 LEU C C 13 172.394 0.200 . . . . . . . . . . 6821 1 1256 . 1 1 117 117 LEU CB C 13 41.677 0.200 . . . . . . . . . . 6821 1 1257 . 1 1 117 117 LEU CG C 13 24.272 0.200 . . . . . . . . . . 6821 1 1258 . 1 1 117 117 LEU CD1 C 13 25.193 0.200 . . . . . . . . . . 6821 1 1259 . 1 1 117 117 LEU CD2 C 13 20.131 0.200 . . . . . . . . . . 6821 1 1260 . 1 1 117 117 LEU N N 15 129.409 0.200 . . . . . . . . . . 6821 1 1261 . 1 1 118 118 VAL H H 1 9.149 0.020 . . . . . . . . . . 6821 1 1262 . 1 1 118 118 VAL HA H 1 4.613 0.020 . . . . . . . . . . 6821 1 1263 . 1 1 118 118 VAL HB H 1 1.792 0.020 . . . . . . . . . . 6821 1 1264 . 1 1 118 118 VAL HG11 H 1 0.420 0.017 . . . . . . . . . . 6821 1 1265 . 1 1 118 118 VAL HG12 H 1 0.420 0.017 . . . . . . . . . . 6821 1 1266 . 1 1 118 118 VAL HG13 H 1 0.420 0.017 . . . . . . . . . . 6821 1 1267 . 1 1 118 118 VAL HG21 H 1 0.532 0.020 . . . . . . . . . . 6821 1 1268 . 1 1 118 118 VAL HG22 H 1 0.532 0.020 . . . . . . . . . . 6821 1 1269 . 1 1 118 118 VAL HG23 H 1 0.532 0.020 . . . . . . . . . . 6821 1 1270 . 1 1 118 118 VAL C C 13 171.738 0.200 . . . . . . . . . . 6821 1 1271 . 1 1 118 118 VAL CA C 13 58.901 0.200 . . . . . . . . . . 6821 1 1272 . 1 1 118 118 VAL CB C 13 34.627 0.200 . . . . . . . . . . 6821 1 1273 . 1 1 118 118 VAL CG1 C 13 18.533 0.200 . . . . . . . . . . 6821 1 1274 . 1 1 118 118 VAL CG2 C 13 20.131 0.200 . . . . . . . . . . 6821 1 1275 . 1 1 118 118 VAL N N 15 124.324 0.200 . . . . . . . . . . 6821 1 1276 . 1 1 119 119 VAL H H 1 7.953 0.020 . . . . . . . . . . 6821 1 1277 . 1 1 119 119 VAL HA H 1 5.596 0.020 . . . . . . . . . . 6821 1 1278 . 1 1 119 119 VAL HB H 1 1.794 0.020 . . . . . . . . . . 6821 1 1279 . 1 1 119 119 VAL HG11 H 1 1.028 0.020 . . . . . . . . . . 6821 1 1280 . 1 1 119 119 VAL HG12 H 1 1.028 0.020 . . . . . . . . . . 6821 1 1281 . 1 1 119 119 VAL HG13 H 1 1.028 0.020 . . . . . . . . . . 6821 1 1282 . 1 1 119 119 VAL HG21 H 1 0.847 0.020 . . . . . . . . . . 6821 1 1283 . 1 1 119 119 VAL HG22 H 1 0.847 0.020 . . . . . . . . . . 6821 1 1284 . 1 1 119 119 VAL HG23 H 1 0.847 0.020 . . . . . . . . . . 6821 1 1285 . 1 1 119 119 VAL C C 13 171.442 0.200 . . . . . . . . . . 6821 1 1286 . 1 1 119 119 VAL CA C 13 56.492 0.200 . . . . . . . . . . 6821 1 1287 . 1 1 119 119 VAL CB C 13 33.389 0.200 . . . . . . . . . . 6821 1 1288 . 1 1 119 119 VAL CG1 C 13 20.303 0.200 . . . . . . . . . . 6821 1 1289 . 1 1 119 119 VAL CG2 C 13 18.474 0.200 . . . . . . . . . . 6821 1 1290 . 1 1 119 119 VAL N N 15 122.271 0.200 . . . . . . . . . . 6821 1 1291 . 1 1 120 120 HIS H H 1 8.982 0.020 . . . . . . . . . . 6821 1 1292 . 1 1 120 120 HIS HA H 1 5.161 0.020 . . . . . . . . . . 6821 1 1293 . 1 1 120 120 HIS HB2 H 1 4.281 0.020 . . . . . . . . . . 6821 1 1294 . 1 1 120 120 HIS HB3 H 1 2.960 0.020 . . . . . . . . . . 6821 1 1295 . 1 1 120 120 HIS HD1 H 1 10.660 0.020 . . . . . . . . . . 6821 1 1296 . 1 1 120 120 HIS HD2 H 1 5.938 0.020 . . . . . . . . . . 6821 1 1297 . 1 1 120 120 HIS HE1 H 1 8.150 0.020 . . . . . . . . . . 6821 1 1298 . 1 1 120 120 HIS C C 13 173.009 0.200 . . . . . . . . . . 6821 1 1299 . 1 1 120 120 HIS CA C 13 54.629 0.200 . . . . . . . . . . 6821 1 1300 . 1 1 120 120 HIS CB C 13 31.175 0.200 . . . . . . . . . . 6821 1 1301 . 1 1 120 120 HIS N N 15 126.329 0.200 . . . . . . . . . . 6821 1 1302 . 1 1 121 121 GLU H H 1 9.259 0.020 . . . . . . . . . . 6821 1 1303 . 1 1 121 121 GLU HA H 1 4.126 0.020 . . . . . . . . . . 6821 1 1304 . 1 1 121 121 GLU HB2 H 1 2.352 0.020 . . . . . . . . . . 6821 1 1305 . 1 1 121 121 GLU HB3 H 1 2.214 0.020 . . . . . . . . . . 6821 1 1306 . 1 1 121 121 GLU HG2 H 1 2.450 0.020 . . . . . . . . . . 6821 1 1307 . 1 1 121 121 GLU HG3 H 1 2.450 0.020 . . . . . . . . . . 6821 1 1308 . 1 1 121 121 GLU C C 13 172.733 0.200 . . . . . . . . . . 6821 1 1309 . 1 1 121 121 GLU CA C 13 57.406 0.200 . . . . . . . . . . 6821 1 1310 . 1 1 121 121 GLU CB C 13 30.140 0.200 . . . . . . . . . . 6821 1 1311 . 1 1 121 121 GLU CG C 13 32.652 0.200 . . . . . . . . . . 6821 1 1312 . 1 1 121 121 GLU N N 15 122.711 0.200 . . . . . . . . . . 6821 1 1313 . 1 1 122 122 LYS H H 1 8.468 0.020 . . . . . . . . . . 6821 1 1314 . 1 1 122 122 LYS HA H 1 4.762 0.020 . . . . . . . . . . 6821 1 1315 . 1 1 122 122 LYS HB2 H 1 1.610 0.020 . . . . . . . . . . 6821 1 1316 . 1 1 122 122 LYS HB3 H 1 1.989 0.020 . . . . . . . . . . 6821 1 1317 . 1 1 122 122 LYS HG2 H 1 1.306 0.020 . . . . . . . . . . 6821 1 1318 . 1 1 122 122 LYS HG3 H 1 1.306 0.020 . . . . . . . . . . 6821 1 1319 . 1 1 122 122 LYS HD2 H 1 1.664 0.020 . . . . . . . . . . 6821 1 1320 . 1 1 122 122 LYS HD3 H 1 1.664 0.020 . . . . . . . . . . 6821 1 1321 . 1 1 122 122 LYS HE2 H 1 3.010 0.020 . . . . . . . . . . 6821 1 1322 . 1 1 122 122 LYS HE3 H 1 3.010 0.020 . . . . . . . . . . 6821 1 1323 . 1 1 122 122 LYS C C 13 172.140 0.200 . . . . . . . . . . 6821 1 1324 . 1 1 122 122 LYS CB C 13 32.837 0.200 . . . . . . . . . . 6821 1 1325 . 1 1 122 122 LYS CG C 13 21.511 0.200 . . . . . . . . . . 6821 1 1326 . 1 1 122 122 LYS CD C 13 27.058 0.200 . . . . . . . . . . 6821 1 1327 . 1 1 122 122 LYS N N 15 116.117 0.200 . . . . . . . . . . 6821 1 1328 . 1 1 123 123 ALA H H 1 7.864 0.020 . . . . . . . . . . 6821 1 1329 . 1 1 123 123 ALA HA H 1 3.690 0.020 . . . . . . . . . . 6821 1 1330 . 1 1 123 123 ALA HB1 H 1 1.081 0.020 . . . . . . . . . . 6821 1 1331 . 1 1 123 123 ALA HB2 H 1 1.081 0.020 . . . . . . . . . . 6821 1 1332 . 1 1 123 123 ALA HB3 H 1 1.081 0.020 . . . . . . . . . . 6821 1 1333 . 1 1 123 123 ALA C C 13 174.427 0.200 . . . . . . . . . . 6821 1 1334 . 1 1 123 123 ALA CA C 13 49.831 0.200 . . . . . . . . . . 6821 1 1335 . 1 1 123 123 ALA CB C 13 18.060 0.200 . . . . . . . . . . 6821 1 1336 . 1 1 123 123 ALA N N 15 121.869 0.200 . . . . . . . . . . 6821 1 1337 . 1 1 124 124 ASP H H 1 10.135 0.020 . . . . . . . . . . 6821 1 1338 . 1 1 124 124 ASP HA H 1 4.609 0.020 . . . . . . . . . . 6821 1 1339 . 1 1 124 124 ASP HB2 H 1 2.998 0.020 . . . . . . . . . . 6821 1 1340 . 1 1 124 124 ASP HB3 H 1 2.335 0.020 . . . . . . . . . . 6821 1 1341 . 1 1 124 124 ASP C C 13 175.126 0.200 . . . . . . . . . . 6821 1 1342 . 1 1 124 124 ASP CB C 13 40.690 0.200 . . . . . . . . . . 6821 1 1343 . 1 1 124 124 ASP N N 15 122.530 0.200 . . . . . . . . . . 6821 1 1344 . 1 1 125 125 ASP H H 1 10.103 0.020 . . . . . . . . . . 6821 1 1345 . 1 1 125 125 ASP HA H 1 4.330 0.020 . . . . . . . . . . 6821 1 1346 . 1 1 125 125 ASP HB2 H 1 2.970 0.020 . . . . . . . . . . 6821 1 1347 . 1 1 125 125 ASP HB3 H 1 2.651 0.020 . . . . . . . . . . 6821 1 1348 . 1 1 125 125 ASP C C 13 176.291 0.200 . . . . . . . . . . 6821 1 1349 . 1 1 125 125 ASP CA C 13 52.069 0.200 . . . . . . . . . . 6821 1 1350 . 1 1 125 125 ASP CB C 13 37.179 0.200 . . . . . . . . . . 6821 1 1351 . 1 1 125 125 ASP N N 15 130.202 0.200 . . . . . . . . . . 6821 1 1352 . 1 1 126 126 LEU H H 1 10.482 0.020 . . . . . . . . . . 6821 1 1353 . 1 1 126 126 LEU HA H 1 3.456 0.020 . . . . . . . . . . 6821 1 1354 . 1 1 126 126 LEU HB2 H 1 1.619 0.020 . . . . . . . . . . 6821 1 1355 . 1 1 126 126 LEU HB3 H 1 1.468 0.020 . . . . . . . . . . 6821 1 1356 . 1 1 126 126 LEU HG H 1 2.143 0.020 . . . . . . . . . . 6821 1 1357 . 1 1 126 126 LEU HD11 H 1 0.961 0.020 . . . . . . . . . . 6821 1 1358 . 1 1 126 126 LEU HD12 H 1 0.961 0.020 . . . . . . . . . . 6821 1 1359 . 1 1 126 126 LEU HD13 H 1 0.961 0.020 . . . . . . . . . . 6821 1 1360 . 1 1 126 126 LEU HD21 H 1 0.833 0.020 . . . . . . . . . . 6821 1 1361 . 1 1 126 126 LEU HD22 H 1 0.833 0.020 . . . . . . . . . . 6821 1 1362 . 1 1 126 126 LEU HD23 H 1 0.833 0.020 . . . . . . . . . . 6821 1 1363 . 1 1 126 126 LEU C C 13 174.787 0.200 . . . . . . . . . . 6821 1 1364 . 1 1 126 126 LEU CA C 13 53.000 0.200 . . . . . . . . . . 6821 1 1365 . 1 1 126 126 LEU CB C 13 35.874 0.200 . . . . . . . . . . 6821 1 1366 . 1 1 126 126 LEU CD1 C 13 23.297 0.200 . . . . . . . . . . 6821 1 1367 . 1 1 126 126 LEU CD2 C 13 20.131 0.200 . . . . . . . . . . 6821 1 1368 . 1 1 126 126 LEU N N 15 117.409 0.200 . . . . . . . . . . 6821 1 1369 . 1 1 127 127 GLY H H 1 8.650 0.020 . . . . . . . . . . 6821 1 1370 . 1 1 127 127 GLY HA2 H 1 4.141 0.020 . . . . . . . . . . 6821 1 1371 . 1 1 127 127 GLY HA3 H 1 3.975 0.020 . . . . . . . . . . 6821 1 1372 . 1 1 127 127 GLY C C 13 174.491 0.200 . . . . . . . . . . 6821 1 1373 . 1 1 127 127 GLY CA C 13 43.600 0.200 . . . . . . . . . . 6821 1 1374 . 1 1 127 127 GLY N N 15 104.648 0.200 . . . . . . . . . . 6821 1 1375 . 1 1 128 128 LYS H H 1 7.452 0.020 . . . . . . . . . . 6821 1 1376 . 1 1 128 128 LYS HA H 1 4.556 0.020 . . . . . . . . . . 6821 1 1377 . 1 1 128 128 LYS HB2 H 1 2.194 0.020 . . . . . . . . . . 6821 1 1378 . 1 1 128 128 LYS HB3 H 1 1.619 0.020 . . . . . . . . . . 6821 1 1379 . 1 1 128 128 LYS HG2 H 1 1.391 0.020 . . . . . . . . . . 6821 1 1380 . 1 1 128 128 LYS HG3 H 1 1.293 0.020 . . . . . . . . . . 6821 1 1381 . 1 1 128 128 LYS HD2 H 1 1.590 0.020 . . . . . . . . . . 6821 1 1382 . 1 1 128 128 LYS HD3 H 1 1.590 0.020 . . . . . . . . . . 6821 1 1383 . 1 1 128 128 LYS HE2 H 1 3.050 0.020 . . . . . . . . . . 6821 1 1384 . 1 1 128 128 LYS HE3 H 1 3.050 0.020 . . . . . . . . . . 6821 1 1385 . 1 1 128 128 LYS C C 13 175.105 0.200 . . . . . . . . . . 6821 1 1386 . 1 1 128 128 LYS CA C 13 52.372 0.200 . . . . . . . . . . 6821 1 1387 . 1 1 128 128 LYS CB C 13 29.398 0.200 . . . . . . . . . . 6821 1 1388 . 1 1 128 128 LYS CG C 13 21.825 0.200 . . . . . . . . . . 6821 1 1389 . 1 1 128 128 LYS CD C 13 25.855 0.200 . . . . . . . . . . 6821 1 1390 . 1 1 128 128 LYS CE C 13 40.149 0.200 . . . . . . . . . . 6821 1 1391 . 1 1 128 128 LYS N N 15 119.169 0.200 . . . . . . . . . . 6821 1 1392 . 1 1 129 129 GLY H H 1 8.621 0.020 . . . . . . . . . . 6821 1 1393 . 1 1 129 129 GLY HA2 H 1 4.061 0.020 . . . . . . . . . . 6821 1 1394 . 1 1 129 129 GLY HA3 H 1 3.756 0.003 . . . . . . . . . . 6821 1 1395 . 1 1 129 129 GLY C C 13 172.797 0.200 . . . . . . . . . . 6821 1 1396 . 1 1 129 129 GLY CA C 13 43.589 0.200 . . . . . . . . . . 6821 1 1397 . 1 1 129 129 GLY N N 15 108.732 0.200 . . . . . . . . . . 6821 1 1398 . 1 1 130 130 GLY H H 1 8.868 0.020 . . . . . . . . . . 6821 1 1399 . 1 1 130 130 GLY HA2 H 1 3.971 0.020 . . . . . . . . . . 6821 1 1400 . 1 1 130 130 GLY HA3 H 1 3.751 0.020 . . . . . . . . . . 6821 1 1401 . 1 1 130 130 GLY C C 13 171.124 0.200 . . . . . . . . . . 6821 1 1402 . 1 1 130 130 GLY CA C 13 43.917 0.200 . . . . . . . . . . 6821 1 1403 . 1 1 130 130 GLY N N 15 107.748 0.200 . . . . . . . . . . 6821 1 1404 . 1 1 131 131 ASN H H 1 7.142 0.020 . . . . . . . . . . 6821 1 1405 . 1 1 131 131 ASN HA H 1 4.914 0.020 . . . . . . . . . . 6821 1 1406 . 1 1 131 131 ASN HB2 H 1 3.184 0.020 . . . . . . . . . . 6821 1 1407 . 1 1 131 131 ASN HB3 H 1 2.937 0.020 . . . . . . . . . . 6821 1 1408 . 1 1 131 131 ASN HD21 H 1 7.474 0.020 . . . . . . . . . . 6821 1 1409 . 1 1 131 131 ASN HD22 H 1 6.583 0.020 . . . . . . . . . . 6821 1 1410 . 1 1 131 131 ASN C C 13 173.136 0.200 . . . . . . . . . . 6821 1 1411 . 1 1 131 131 ASN CB C 13 38.289 0.200 . . . . . . . . . . 6821 1 1412 . 1 1 131 131 ASN N N 15 112.898 0.200 . . . . . . . . . . 6821 1 1413 . 1 1 131 131 ASN ND2 N 15 113.272 0.200 . . . . . . . . . . 6821 1 1414 . 1 1 132 132 GLU H H 1 8.920 0.020 . . . . . . . . . . 6821 1 1415 . 1 1 132 132 GLU HA H 1 4.010 0.020 . . . . . . . . . . 6821 1 1416 . 1 1 132 132 GLU HB2 H 1 2.079 0.020 . . . . . . . . . . 6821 1 1417 . 1 1 132 132 GLU HB3 H 1 1.996 0.020 . . . . . . . . . . 6821 1 1418 . 1 1 132 132 GLU HG2 H 1 2.235 0.020 . . . . . . . . . . 6821 1 1419 . 1 1 132 132 GLU HG3 H 1 2.309 0.020 . . . . . . . . . . 6821 1 1420 . 1 1 132 132 GLU C C 13 176.545 0.200 . . . . . . . . . . 6821 1 1421 . 1 1 132 132 GLU CA C 13 57.244 0.200 . . . . . . . . . . 6821 1 1422 . 1 1 132 132 GLU CB C 13 27.133 0.200 . . . . . . . . . . 6821 1 1423 . 1 1 132 132 GLU CG C 13 33.599 0.200 . . . . . . . . . . 6821 1 1424 . 1 1 132 132 GLU N N 15 121.257 0.200 . . . . . . . . . . 6821 1 1425 . 1 1 133 133 GLU H H 1 8.514 0.020 . . . . . . . . . . 6821 1 1426 . 1 1 133 133 GLU HA H 1 4.039 0.020 . . . . . . . . . . 6821 1 1427 . 1 1 133 133 GLU HB2 H 1 2.121 0.020 . . . . . . . . . . 6821 1 1428 . 1 1 133 133 GLU HB3 H 1 2.071 0.020 . . . . . . . . . . 6821 1 1429 . 1 1 133 133 GLU HG2 H 1 2.327 0.020 . . . . . . . . . . 6821 1 1430 . 1 1 133 133 GLU HG3 H 1 2.327 0.020 . . . . . . . . . . 6821 1 1431 . 1 1 133 133 GLU C C 13 177.032 0.200 . . . . . . . . . . 6821 1 1432 . 1 1 133 133 GLU CA C 13 56.109 0.200 . . . . . . . . . . 6821 1 1433 . 1 1 133 133 GLU CB C 13 26.516 0.200 . . . . . . . . . . 6821 1 1434 . 1 1 133 133 GLU N N 15 118.107 0.200 . . . . . . . . . . 6821 1 1435 . 1 1 134 134 SER H H 1 8.183 0.020 . . . . . . . . . . 6821 1 1436 . 1 1 134 134 SER HA H 1 3.731 0.001 . . . . . . . . . . 6821 1 1437 . 1 1 134 134 SER HB2 H 1 4.084 0.020 . . . . . . . . . . 6821 1 1438 . 1 1 134 134 SER HB3 H 1 3.900 0.020 . . . . . . . . . . 6821 1 1439 . 1 1 134 134 SER C C 13 173.665 0.200 . . . . . . . . . . 6821 1 1440 . 1 1 134 134 SER CA C 13 60.167 0.200 . . . . . . . . . . 6821 1 1441 . 1 1 134 134 SER CB C 13 61.548 0.200 . . . . . . . . . . 6821 1 1442 . 1 1 134 134 SER N N 15 116.726 0.200 . . . . . . . . . . 6821 1 1443 . 1 1 135 135 THR H H 1 7.217 0.020 . . . . . . . . . . 6821 1 1444 . 1 1 135 135 THR HA H 1 4.508 0.020 . . . . . . . . . . 6821 1 1445 . 1 1 135 135 THR HB H 1 4.589 0.020 . . . . . . . . . . 6821 1 1446 . 1 1 135 135 THR HG21 H 1 1.412 0.020 . . . . . . . . . . 6821 1 1447 . 1 1 135 135 THR HG22 H 1 1.412 0.020 . . . . . . . . . . 6821 1 1448 . 1 1 135 135 THR HG23 H 1 1.412 0.020 . . . . . . . . . . 6821 1 1449 . 1 1 135 135 THR C C 13 171.865 0.200 . . . . . . . . . . 6821 1 1450 . 1 1 135 135 THR CA C 13 60.857 0.200 . . . . . . . . . . 6821 1 1451 . 1 1 135 135 THR CB C 13 66.832 0.200 . . . . . . . . . . 6821 1 1452 . 1 1 135 135 THR CG2 C 13 19.347 0.200 . . . . . . . . . . 6821 1 1453 . 1 1 135 135 THR N N 15 102.257 0.200 . . . . . . . . . . 6821 1 1454 . 1 1 136 136 LYS H H 1 7.694 0.020 . . . . . . . . . . 6821 1 1455 . 1 1 136 136 LYS HA H 1 4.661 0.020 . . . . . . . . . . 6821 1 1456 . 1 1 136 136 LYS HB2 H 1 1.902 0.020 . . . . . . . . . . 6821 1 1457 . 1 1 136 136 LYS HB3 H 1 1.819 0.020 . . . . . . . . . . 6821 1 1458 . 1 1 136 136 LYS HG2 H 1 1.573 0.020 . . . . . . . . . . 6821 1 1459 . 1 1 136 136 LYS HG3 H 1 1.365 0.020 . . . . . . . . . . 6821 1 1460 . 1 1 136 136 LYS HD2 H 1 1.722 0.020 . . . . . . . . . . 6821 1 1461 . 1 1 136 136 LYS HD3 H 1 1.722 0.020 . . . . . . . . . . 6821 1 1462 . 1 1 136 136 LYS HE2 H 1 2.895 0.020 . . . . . . . . . . 6821 1 1463 . 1 1 136 136 LYS HE3 H 1 2.895 0.020 . . . . . . . . . . 6821 1 1464 . 1 1 136 136 LYS C C 13 174.766 0.200 . . . . . . . . . . 6821 1 1465 . 1 1 136 136 LYS CA C 13 56.255 0.200 . . . . . . . . . . 6821 1 1466 . 1 1 136 136 LYS CB C 13 32.569 0.200 . . . . . . . . . . 6821 1 1467 . 1 1 136 136 LYS CG C 13 22.892 0.200 . . . . . . . . . . 6821 1 1468 . 1 1 136 136 LYS CD C 13 27.724 0.200 . . . . . . . . . . 6821 1 1469 . 1 1 136 136 LYS N N 15 123.313 0.200 . . . . . . . . . . 6821 1 1470 . 1 1 137 137 THR H H 1 8.550 0.020 . . . . . . . . . . 6821 1 1471 . 1 1 137 137 THR HA H 1 3.775 0.020 . . . . . . . . . . 6821 1 1472 . 1 1 137 137 THR HB H 1 4.529 0.020 . . . . . . . . . . 6821 1 1473 . 1 1 137 137 THR HG21 H 1 0.999 0.020 . . . . . . . . . . 6821 1 1474 . 1 1 137 137 THR HG22 H 1 0.999 0.020 . . . . . . . . . . 6821 1 1475 . 1 1 137 137 THR HG23 H 1 0.999 0.020 . . . . . . . . . . 6821 1 1476 . 1 1 137 137 THR C C 13 173.729 0.200 . . . . . . . . . . 6821 1 1477 . 1 1 137 137 THR CA C 13 58.787 0.200 . . . . . . . . . . 6821 1 1478 . 1 1 137 137 THR CB C 13 69.831 0.200 . . . . . . . . . . 6821 1 1479 . 1 1 137 137 THR CG2 C 13 19.440 0.200 . . . . . . . . . . 6821 1 1480 . 1 1 137 137 THR N N 15 106.674 0.200 . . . . . . . . . . 6821 1 1481 . 1 1 138 138 GLY H H 1 7.385 0.020 . . . . . . . . . . 6821 1 1482 . 1 1 138 138 GLY HA2 H 1 4.501 0.020 . . . . . . . . . . 6821 1 1483 . 1 1 138 138 GLY HA3 H 1 4.227 0.020 . . . . . . . . . . 6821 1 1484 . 1 1 138 138 GLY C C 13 171.230 0.200 . . . . . . . . . . 6821 1 1485 . 1 1 138 138 GLY CA C 13 43.431 0.200 . . . . . . . . . . 6821 1 1486 . 1 1 138 138 GLY N N 15 111.554 0.200 . . . . . . . . . . 6821 1 1487 . 1 1 139 139 ASN H H 1 7.801 0.020 . . . . . . . . . . 6821 1 1488 . 1 1 139 139 ASN HA H 1 3.972 0.020 . . . . . . . . . . 6821 1 1489 . 1 1 139 139 ASN HB2 H 1 2.924 0.020 . . . . . . . . . . 6821 1 1490 . 1 1 139 139 ASN HB3 H 1 2.924 0.020 . . . . . . . . . . 6821 1 1491 . 1 1 139 139 ASN HD21 H 1 8.434 0.020 . . . . . . . . . . 6821 1 1492 . 1 1 139 139 ASN HD22 H 1 7.119 0.020 . . . . . . . . . . 6821 1 1493 . 1 1 139 139 ASN C C 13 171.442 0.200 . . . . . . . . . . 6821 1 1494 . 1 1 139 139 ASN CB C 13 35.103 0.200 . . . . . . . . . . 6821 1 1495 . 1 1 139 139 ASN N N 15 110.158 0.200 . . . . . . . . . . 6821 1 1496 . 1 1 139 139 ASN ND2 N 15 116.035 0.200 . . . . . . . . . . 6821 1 1497 . 1 1 140 140 ALA H H 1 8.734 0.020 . . . . . . . . . . 6821 1 1498 . 1 1 140 140 ALA HA H 1 4.341 0.020 . . . . . . . . . . 6821 1 1499 . 1 1 140 140 ALA HB1 H 1 0.888 0.020 . . . . . . . . . . 6821 1 1500 . 1 1 140 140 ALA HB2 H 1 0.888 0.020 . . . . . . . . . . 6821 1 1501 . 1 1 140 140 ALA HB3 H 1 0.888 0.020 . . . . . . . . . . 6821 1 1502 . 1 1 140 140 ALA C C 13 175.169 0.200 . . . . . . . . . . 6821 1 1503 . 1 1 140 140 ALA CA C 13 50.682 0.200 . . . . . . . . . . 6821 1 1504 . 1 1 140 140 ALA CB C 13 14.282 0.200 . . . . . . . . . . 6821 1 1505 . 1 1 140 140 ALA N N 15 118.154 0.200 . . . . . . . . . . 6821 1 1506 . 1 1 141 141 GLY H H 1 8.245 0.020 . . . . . . . . . . 6821 1 1507 . 1 1 141 141 GLY HA2 H 1 4.102 0.020 . . . . . . . . . . 6821 1 1508 . 1 1 141 141 GLY HA3 H 1 3.895 0.020 . . . . . . . . . . 6821 1 1509 . 1 1 141 141 GLY C C 13 174.025 0.200 . . . . . . . . . . 6821 1 1510 . 1 1 141 141 GLY CA C 13 43.283 0.200 . . . . . . . . . . 6821 1 1511 . 1 1 141 141 GLY N N 15 107.356 0.200 . . . . . . . . . . 6821 1 1512 . 1 1 142 142 SER H H 1 9.369 0.020 . . . . . . . . . . 6821 1 1513 . 1 1 142 142 SER HA H 1 4.393 0.020 . . . . . . . . . . 6821 1 1514 . 1 1 142 142 SER HB2 H 1 3.889 0.020 . . . . . . . . . . 6821 1 1515 . 1 1 142 142 SER HB3 H 1 3.889 0.020 . . . . . . . . . . 6821 1 1516 . 1 1 142 142 SER C C 13 173.729 0.200 . . . . . . . . . . 6821 1 1517 . 1 1 142 142 SER CA C 13 57.930 0.200 . . . . . . . . . . 6821 1 1518 . 1 1 142 142 SER CB C 13 61.775 0.200 . . . . . . . . . . 6821 1 1519 . 1 1 142 142 SER N N 15 120.178 0.200 . . . . . . . . . . 6821 1 1520 . 1 1 143 143 ARG H H 1 9.059 0.020 . . . . . . . . . . 6821 1 1521 . 1 1 143 143 ARG HA H 1 3.419 0.020 . . . . . . . . . . 6821 1 1522 . 1 1 143 143 ARG HB2 H 1 0.996 0.020 . . . . . . . . . . 6821 1 1523 . 1 1 143 143 ARG HB3 H 1 1.134 0.020 . . . . . . . . . . 6821 1 1524 . 1 1 143 143 ARG HG2 H 1 2.051 0.020 . . . . . . . . . . 6821 1 1525 . 1 1 143 143 ARG HG3 H 1 1.902 0.020 . . . . . . . . . . 6821 1 1526 . 1 1 143 143 ARG HD2 H 1 2.462 0.073 . . . . . . . . . . 6821 1 1527 . 1 1 143 143 ARG HD3 H 1 2.988 0.020 . . . . . . . . . . 6821 1 1528 . 1 1 143 143 ARG C C 13 172.254 0.200 . . . . . . . . . . 6821 1 1529 . 1 1 143 143 ARG CA C 13 52.938 0.200 . . . . . . . . . . 6821 1 1530 . 1 1 143 143 ARG N N 15 122.924 0.200 . . . . . . . . . . 6821 1 1531 . 1 1 144 144 LEU H H 1 8.408 0.020 . . . . . . . . . . 6821 1 1532 . 1 1 144 144 LEU HA H 1 4.302 0.020 . . . . . . . . . . 6821 1 1533 . 1 1 144 144 LEU HB2 H 1 1.446 0.020 . . . . . . . . . . 6821 1 1534 . 1 1 144 144 LEU HB3 H 1 1.282 0.020 . . . . . . . . . . 6821 1 1535 . 1 1 144 144 LEU HG H 1 1.486 0.020 . . . . . . . . . . 6821 1 1536 . 1 1 144 144 LEU HD11 H 1 0.846 0.020 . . . . . . . . . . 6821 1 1537 . 1 1 144 144 LEU HD12 H 1 0.846 0.020 . . . . . . . . . . 6821 1 1538 . 1 1 144 144 LEU HD13 H 1 0.846 0.020 . . . . . . . . . . 6821 1 1539 . 1 1 144 144 LEU HD21 H 1 0.844 0.020 . . . . . . . . . . 6821 1 1540 . 1 1 144 144 LEU HD22 H 1 0.844 0.020 . . . . . . . . . . 6821 1 1541 . 1 1 144 144 LEU HD23 H 1 0.844 0.020 . . . . . . . . . . 6821 1 1542 . 1 1 144 144 LEU C C 13 175.063 0.200 . . . . . . . . . . 6821 1 1543 . 1 1 144 144 LEU CA C 13 54.645 0.200 . . . . . . . . . . 6821 1 1544 . 1 1 144 144 LEU CB C 13 40.839 0.200 . . . . . . . . . . 6821 1 1545 . 1 1 144 144 LEU CD1 C 13 25.998 0.200 . . . . . . . . . . 6821 1 1546 . 1 1 144 144 LEU CD2 C 13 19.440 0.200 . . . . . . . . . . 6821 1 1547 . 1 1 144 144 LEU N N 15 122.636 0.200 . . . . . . . . . . 6821 1 1548 . 1 1 145 145 ALA H H 1 7.278 0.020 . . . . . . . . . . 6821 1 1549 . 1 1 145 145 ALA HA H 1 4.227 0.020 . . . . . . . . . . 6821 1 1550 . 1 1 145 145 ALA HB1 H 1 0.867 0.020 . . . . . . . . . . 6821 1 1551 . 1 1 145 145 ALA HB2 H 1 0.867 0.020 . . . . . . . . . . 6821 1 1552 . 1 1 145 145 ALA HB3 H 1 0.867 0.020 . . . . . . . . . . 6821 1 1553 . 1 1 145 145 ALA C C 13 172.183 0.200 . . . . . . . . . . 6821 1 1554 . 1 1 145 145 ALA CA C 13 49.329 0.200 . . . . . . . . . . 6821 1 1555 . 1 1 145 145 ALA CB C 13 18.750 0.200 . . . . . . . . . . 6821 1 1556 . 1 1 145 145 ALA N N 15 116.685 0.200 . . . . . . . . . . 6821 1 1557 . 1 1 146 146 CYS H H 1 8.809 0.020 . . . . . . . . . . 6821 1 1558 . 1 1 146 146 CYS HA H 1 6.127 0.020 . . . . . . . . . . 6821 1 1559 . 1 1 146 146 CYS HB2 H 1 2.827 0.020 . . . . . . . . . . 6821 1 1560 . 1 1 146 146 CYS HB3 H 1 2.780 0.020 . . . . . . . . . . 6821 1 1561 . 1 1 146 146 CYS C C 13 170.870 0.200 . . . . . . . . . . 6821 1 1562 . 1 1 146 146 CYS CA C 13 53.418 0.200 . . . . . . . . . . 6821 1 1563 . 1 1 146 146 CYS CB C 13 30.666 0.200 . . . . . . . . . . 6821 1 1564 . 1 1 146 146 CYS N N 15 114.078 0.200 . . . . . . . . . . 6821 1 1565 . 1 1 147 147 GLY H H 1 8.078 0.020 . . . . . . . . . . 6821 1 1566 . 1 1 147 147 GLY HA2 H 1 4.503 0.020 . . . . . . . . . . 6821 1 1567 . 1 1 147 147 GLY HA3 H 1 4.017 0.020 . . . . . . . . . . 6821 1 1568 . 1 1 147 147 GLY C C 13 168.773 0.200 . . . . . . . . . . 6821 1 1569 . 1 1 147 147 GLY CA C 13 44.192 0.200 . . . . . . . . . . 6821 1 1570 . 1 1 147 147 GLY N N 15 107.325 0.200 . . . . . . . . . . 6821 1 1571 . 1 1 148 148 VAL H H 1 8.455 0.020 . . . . . . . . . . 6821 1 1572 . 1 1 148 148 VAL HA H 1 4.238 0.020 . . . . . . . . . . 6821 1 1573 . 1 1 148 148 VAL HB H 1 1.705 0.020 . . . . . . . . . . 6821 1 1574 . 1 1 148 148 VAL HG11 H 1 1.022 0.020 . . . . . . . . . . 6821 1 1575 . 1 1 148 148 VAL HG12 H 1 1.022 0.020 . . . . . . . . . . 6821 1 1576 . 1 1 148 148 VAL HG13 H 1 1.022 0.020 . . . . . . . . . . 6821 1 1577 . 1 1 148 148 VAL HG21 H 1 0.822 0.020 . . . . . . . . . . 6821 1 1578 . 1 1 148 148 VAL HG22 H 1 0.822 0.020 . . . . . . . . . . 6821 1 1579 . 1 1 148 148 VAL HG23 H 1 0.822 0.020 . . . . . . . . . . 6821 1 1580 . 1 1 148 148 VAL C C 13 172.966 0.200 . . . . . . . . . . 6821 1 1581 . 1 1 148 148 VAL CA C 13 60.359 0.200 . . . . . . . . . . 6821 1 1582 . 1 1 148 148 VAL CB C 13 29.900 0.200 . . . . . . . . . . 6821 1 1583 . 1 1 148 148 VAL CG2 C 13 20.131 0.200 . . . . . . . . . . 6821 1 1584 . 1 1 148 148 VAL N N 15 124.751 0.200 . . . . . . . . . . 6821 1 1585 . 1 1 149 149 ILE H H 1 8.611 0.020 . . . . . . . . . . 6821 1 1586 . 1 1 149 149 ILE HA H 1 4.048 0.020 . . . . . . . . . . 6821 1 1587 . 1 1 149 149 ILE HB H 1 1.769 0.020 . . . . . . . . . . 6821 1 1588 . 1 1 149 149 ILE HG12 H 1 1.683 0.020 . . . . . . . . . . 6821 1 1589 . 1 1 149 149 ILE HG13 H 1 0.691 0.020 . . . . . . . . . . 6821 1 1590 . 1 1 149 149 ILE HG21 H 1 0.174 0.020 . . . . . . . . . . 6821 1 1591 . 1 1 149 149 ILE HG22 H 1 0.174 0.020 . . . . . . . . . . 6821 1 1592 . 1 1 149 149 ILE HG23 H 1 0.174 0.020 . . . . . . . . . . 6821 1 1593 . 1 1 149 149 ILE HD11 H 1 0.441 0.020 . . . . . . . . . . 6821 1 1594 . 1 1 149 149 ILE HD12 H 1 0.441 0.020 . . . . . . . . . . 6821 1 1595 . 1 1 149 149 ILE HD13 H 1 0.441 0.020 . . . . . . . . . . 6821 1 1596 . 1 1 149 149 ILE C C 13 172.606 0.200 . . . . . . . . . . 6821 1 1597 . 1 1 149 149 ILE CA C 13 60.101 0.200 . . . . . . . . . . 6821 1 1598 . 1 1 149 149 ILE CB C 13 35.072 0.200 . . . . . . . . . . 6821 1 1599 . 1 1 149 149 ILE CG2 C 13 16.679 0.200 . . . . . . . . . . 6821 1 1600 . 1 1 149 149 ILE CD1 C 13 12.952 0.200 . . . . . . . . . . 6821 1 1601 . 1 1 149 149 ILE N N 15 127.986 0.200 . . . . . . . . . . 6821 1 1602 . 1 1 150 150 GLY H H 1 9.339 0.020 . . . . . . . . . . 6821 1 1603 . 1 1 150 150 GLY HA2 H 1 4.781 0.020 . . . . . . . . . . 6821 1 1604 . 1 1 150 150 GLY HA3 H 1 4.773 0.020 . . . . . . . . . . 6821 1 1605 . 1 1 150 150 GLY C C 13 170.849 0.200 . . . . . . . . . . 6821 1 1606 . 1 1 150 150 GLY N N 15 117.436 0.200 . . . . . . . . . . 6821 1 1607 . 1 1 151 151 ILE H H 1 9.022 0.020 . . . . . . . . . . 6821 1 1608 . 1 1 151 151 ILE HA H 1 3.962 0.020 . . . . . . . . . . 6821 1 1609 . 1 1 151 151 ILE HB H 1 1.667 0.020 . . . . . . . . . . 6821 1 1610 . 1 1 151 151 ILE HG12 H 1 1.773 0.020 . . . . . . . . . . 6821 1 1611 . 1 1 151 151 ILE HG13 H 1 1.773 0.020 . . . . . . . . . . 6821 1 1612 . 1 1 151 151 ILE HG21 H 1 0.943 0.020 . . . . . . . . . . 6821 1 1613 . 1 1 151 151 ILE HG22 H 1 0.943 0.020 . . . . . . . . . . 6821 1 1614 . 1 1 151 151 ILE HG23 H 1 0.943 0.020 . . . . . . . . . . 6821 1 1615 . 1 1 151 151 ILE HD11 H 1 1.243 0.020 . . . . . . . . . . 6821 1 1616 . 1 1 151 151 ILE HD12 H 1 1.243 0.020 . . . . . . . . . . 6821 1 1617 . 1 1 151 151 ILE HD13 H 1 1.243 0.020 . . . . . . . . . . 6821 1 1618 . 1 1 151 151 ILE C C 13 172.797 0.200 . . . . . . . . . . 6821 1 1619 . 1 1 151 151 ILE CA C 13 61.455 0.200 . . . . . . . . . . 6821 1 1620 . 1 1 151 151 ILE CB C 13 37.244 0.200 . . . . . . . . . . 6821 1 1621 . 1 1 151 151 ILE CG1 C 13 27.747 0.200 . . . . . . . . . . 6821 1 1622 . 1 1 151 151 ILE CG2 C 13 11.110 0.200 . . . . . . . . . . 6821 1 1623 . 1 1 151 151 ILE CD1 C 13 14.282 0.200 . . . . . . . . . . 6821 1 1624 . 1 1 151 151 ILE N N 15 120.809 0.200 . . . . . . . . . . 6821 1 1625 . 1 1 152 152 ALA H H 1 8.269 0.020 . . . . . . . . . . 6821 1 1626 . 1 1 152 152 ALA HA H 1 4.754 0.020 . . . . . . . . . . 6821 1 1627 . 1 1 152 152 ALA HB1 H 1 1.124 0.020 . . . . . . . . . . 6821 1 1628 . 1 1 152 152 ALA HB2 H 1 1.124 0.020 . . . . . . . . . . 6821 1 1629 . 1 1 152 152 ALA HB3 H 1 1.124 0.020 . . . . . . . . . . 6821 1 1630 . 1 1 152 152 ALA C C 13 172.034 0.200 . . . . . . . . . . 6821 1 1631 . 1 1 152 152 ALA N N 15 130.250 0.200 . . . . . . . . . . 6821 1 1632 . 1 1 153 153 GLN H H 1 7.986 0.020 . . . . . . . . . . 6821 1 1633 . 1 1 153 153 GLN HA H 1 3.540 0.020 . . . . . . . . . . 6821 1 1634 . 1 1 153 153 GLN HB2 H 1 0.898 0.020 . . . . . . . . . . 6821 1 1635 . 1 1 153 153 GLN HB3 H 1 0.898 0.020 . . . . . . . . . . 6821 1 1636 . 1 1 153 153 GLN HG2 H 1 1.337 0.020 . . . . . . . . . . 6821 1 1637 . 1 1 153 153 GLN HG3 H 1 1.337 0.020 . . . . . . . . . . 6821 1 1638 . 1 1 153 153 GLN C C 13 178.663 0.200 . . . . . . . . . . 6821 1 1639 . 1 1 153 153 GLN CA C 13 55.857 0.200 . . . . . . . . . . 6821 1 1640 . 1 1 153 153 GLN CB C 13 27.033 0.200 . . . . . . . . . . 6821 1 1641 . 1 1 153 153 GLN CG C 13 27.379 0.200 . . . . . . . . . . 6821 1 1642 . 1 1 153 153 GLN N N 15 123.926 0.200 . . . . . . . . . . 6821 1 stop_ save_