data_25439 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25439 _Entry.Title ; Solution structure and 1H, 13C, and 15N chemical shift assignments for Bud31p ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-01-19 _Entry.Accession_date 2015-01-19 _Entry.Last_release_date 2016-02-18 _Entry.Original_release_date 2016-02-18 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Anne-Marie 'van Roon' . M. . . 25439 2 Ji-Chun Yang . . . . 25439 3 Daniel Mathieu . . . . 25439 4 Wolfgang Bermel . . . . 25439 5 Kiyoshi Nagai . . . . 25439 6 David Neuhaus . . . . 25439 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25439 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'splicing protein' . 25439 'zinc cluster' . 25439 'zinc finger' . 25439 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25439 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 509 25439 '15N chemical shifts' 167 25439 '1H chemical shifts' 1022 25439 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 3 . . 2016-10-07 2015-01-19 update author 'update entry title' 25439 2 . . 2016-02-18 2015-01-19 update BMRB 'update entry citation' 25439 1 . . 2015-03-09 2015-01-19 original author 'original release' 25439 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25440 'Bud31p protein (Cd3)' 25439 PDB 2MY1 'BMRB Entry Tracking System' 25439 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25439 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25703931 _Citation.Full_citation . _Citation.Title ; 113 Cd NMR Experiments Reveal an Unusual Metal Cluster in the Solution Structure of the Yeast Splicing Protein Bud31p ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Angew. Chem. Int. Ed. Engl.' _Citation.Journal_name_full . _Citation.Journal_volume 54 _Citation.Journal_issue 16 _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 4861 _Citation.Page_last 4864 _Citation.Year 2015 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Anne-Marie 'van Roon' . M. . . 25439 1 2 Ji-Chun Yang . . . . 25439 1 3 Daniel Mathieu . . . . 25439 1 4 Wolfgang Bermel . . . . 25439 1 5 Kiyoshi Nagai . . . . 25439 1 6 David Neuhaus . . . . 25439 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25439 _Assembly.ID 1 _Assembly.Name 'Bud31p protein' _Assembly.BMRB_code . _Assembly.Number_of_components 4 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds yes _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Bud31p polypeptide' 1 $Bud31p_polypeptide A . yes native no no . . . 25439 1 2 ZN1 2 $entity_ZN B . no na no no . . . 25439 1 3 ZN2 2 $entity_ZN A . no na no no . . . 25439 1 4 ZN3 2 $entity_ZN A . no na no no . . . 25439 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 'metal coordination' single . 1 'Bud31p polypeptide' 1 CYS 106 106 SG . 2 ZN1 2 ZN 1 1 ZN 1 'Bud31p polypeptide' 104 CYS SG 2 ZN1 1 1 ZN 25439 1 2 'metal coordination' single . 1 'Bud31p polypeptide' 1 CYS 107 107 SG . 2 ZN1 2 ZN 1 1 ZN 1 'Bud31p polypeptide' 105 CYS SG 2 ZN1 1 1 ZN 25439 1 3 'metal coordination' single . 1 'Bud31p polypeptide' 1 CYS 110 110 SG . 2 ZN1 2 ZN 1 1 ZN 1 'Bud31p polypeptide' 108 CYS SG 2 ZN1 1 1 ZN 25439 1 4 'metal coordination' single . 1 'Bud31p polypeptide' 1 CYS 150 150 SG . 2 ZN1 2 ZN 1 1 ZN 1 'Bud31p polypeptide' 148 CYS SG 2 ZN1 1 1 ZN 25439 1 5 'metal coordination' single . 1 'Bud31p polypeptide' 1 CYS 110 110 SG . 3 ZN2 2 ZN 1 1 ZN 1 'Bud31p polypeptide' 108 CYS SG 3 ZN2 1 1 ZN 25439 1 6 'metal coordination' single . 1 'Bud31p polypeptide' 1 CYS 122 122 SG . 3 ZN2 2 ZN 1 1 ZN 1 'Bud31p polypeptide' 120 CYS SG 3 ZN2 1 1 ZN 25439 1 7 'metal coordination' single . 1 'Bud31p polypeptide' 1 CYS 124 124 SG . 3 ZN2 2 ZN 1 1 ZN 1 'Bud31p polypeptide' 122 CYS SG 3 ZN2 1 1 ZN 25439 1 8 'metal coordination' single . 1 'Bud31p polypeptide' 1 CYS 150 150 SG . 3 ZN2 2 ZN 1 1 ZN 1 'Bud31p polypeptide' 148 CYS SG 3 ZN2 1 1 ZN 25439 1 9 'metal coordination' single . 1 'Bud31p polypeptide' 1 CYS 106 106 SG . 4 ZN3 2 ZN 1 1 ZN 1 'Bud31p polypeptide' 104 CYS SG 4 ZN3 1 1 ZN 25439 1 10 'metal coordination' single . 1 'Bud31p polypeptide' 1 CYS 124 124 SG . 4 ZN3 2 ZN 1 1 ZN 1 'Bud31p polypeptide' 122 CYS SG 4 ZN3 1 1 ZN 25439 1 11 'metal coordination' single . 1 'Bud31p polypeptide' 1 CYS 152 152 SG . 4 ZN3 2 ZN 1 1 ZN 1 'Bud31p polypeptide' 150 CYS SG 4 ZN3 1 1 ZN 25439 1 12 'metal coordination' single . 1 'Bud31p polypeptide' 1 CYS 155 155 SG . 4 ZN3 2 ZN 1 1 ZN 1 'Bud31p polypeptide' 153 CYS SG 4 ZN3 1 1 ZN 25439 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Bud31p_polypeptide _Entity.Sf_category entity _Entity.Sf_framecode Bud31p_polypeptide _Entity.Entry_ID 25439 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Bud31p_polypeptide _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GGSPRIKTRRSKPAPDGFEK IKPTLTDFEIQLRDAQKDKS SKLAAKSNEQLWEIMQLHHQ RSRYIYTLYYKRKAISKDLY DWLIKEKYADKLLIAKWRKT GYEKLCCLRCIQKNETNNGS TCICRVPRAQLEEEARKKGT QVSFHQCVHCGCRGCASTD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'First 3 residues are a cloning artefact and should be numbered Gly(-1), Gly(0), Ser (1); the first natural residue is Pro 2.' _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 159 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all other bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 18554.609 _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 -1 GLY . 25439 1 2 0 GLY . 25439 1 3 1 SER . 25439 1 4 2 PRO . 25439 1 5 3 ARG . 25439 1 6 4 ILE . 25439 1 7 5 LYS . 25439 1 8 6 THR . 25439 1 9 7 ARG . 25439 1 10 8 ARG . 25439 1 11 9 SER . 25439 1 12 10 LYS . 25439 1 13 11 PRO . 25439 1 14 12 ALA . 25439 1 15 13 PRO . 25439 1 16 14 ASP . 25439 1 17 15 GLY . 25439 1 18 16 PHE . 25439 1 19 17 GLU . 25439 1 20 18 LYS . 25439 1 21 19 ILE . 25439 1 22 20 LYS . 25439 1 23 21 PRO . 25439 1 24 22 THR . 25439 1 25 23 LEU . 25439 1 26 24 THR . 25439 1 27 25 ASP . 25439 1 28 26 PHE . 25439 1 29 27 GLU . 25439 1 30 28 ILE . 25439 1 31 29 GLN . 25439 1 32 30 LEU . 25439 1 33 31 ARG . 25439 1 34 32 ASP . 25439 1 35 33 ALA . 25439 1 36 34 GLN . 25439 1 37 35 LYS . 25439 1 38 36 ASP . 25439 1 39 37 LYS . 25439 1 40 38 SER . 25439 1 41 39 SER . 25439 1 42 40 LYS . 25439 1 43 41 LEU . 25439 1 44 42 ALA . 25439 1 45 43 ALA . 25439 1 46 44 LYS . 25439 1 47 45 SER . 25439 1 48 46 ASN . 25439 1 49 47 GLU . 25439 1 50 48 GLN . 25439 1 51 49 LEU . 25439 1 52 50 TRP . 25439 1 53 51 GLU . 25439 1 54 52 ILE . 25439 1 55 53 MET . 25439 1 56 54 GLN . 25439 1 57 55 LEU . 25439 1 58 56 HIS . 25439 1 59 57 HIS . 25439 1 60 58 GLN . 25439 1 61 59 ARG . 25439 1 62 60 SER . 25439 1 63 61 ARG . 25439 1 64 62 TYR . 25439 1 65 63 ILE . 25439 1 66 64 TYR . 25439 1 67 65 THR . 25439 1 68 66 LEU . 25439 1 69 67 TYR . 25439 1 70 68 TYR . 25439 1 71 69 LYS . 25439 1 72 70 ARG . 25439 1 73 71 LYS . 25439 1 74 72 ALA . 25439 1 75 73 ILE . 25439 1 76 74 SER . 25439 1 77 75 LYS . 25439 1 78 76 ASP . 25439 1 79 77 LEU . 25439 1 80 78 TYR . 25439 1 81 79 ASP . 25439 1 82 80 TRP . 25439 1 83 81 LEU . 25439 1 84 82 ILE . 25439 1 85 83 LYS . 25439 1 86 84 GLU . 25439 1 87 85 LYS . 25439 1 88 86 TYR . 25439 1 89 87 ALA . 25439 1 90 88 ASP . 25439 1 91 89 LYS . 25439 1 92 90 LEU . 25439 1 93 91 LEU . 25439 1 94 92 ILE . 25439 1 95 93 ALA . 25439 1 96 94 LYS . 25439 1 97 95 TRP . 25439 1 98 96 ARG . 25439 1 99 97 LYS . 25439 1 100 98 THR . 25439 1 101 99 GLY . 25439 1 102 100 TYR . 25439 1 103 101 GLU . 25439 1 104 102 LYS . 25439 1 105 103 LEU . 25439 1 106 104 CYS . 25439 1 107 105 CYS . 25439 1 108 106 LEU . 25439 1 109 107 ARG . 25439 1 110 108 CYS . 25439 1 111 109 ILE . 25439 1 112 110 GLN . 25439 1 113 111 LYS . 25439 1 114 112 ASN . 25439 1 115 113 GLU . 25439 1 116 114 THR . 25439 1 117 115 ASN . 25439 1 118 116 ASN . 25439 1 119 117 GLY . 25439 1 120 118 SER . 25439 1 121 119 THR . 25439 1 122 120 CYS . 25439 1 123 121 ILE . 25439 1 124 122 CYS . 25439 1 125 123 ARG . 25439 1 126 124 VAL . 25439 1 127 125 PRO . 25439 1 128 126 ARG . 25439 1 129 127 ALA . 25439 1 130 128 GLN . 25439 1 131 129 LEU . 25439 1 132 130 GLU . 25439 1 133 131 GLU . 25439 1 134 132 GLU . 25439 1 135 133 ALA . 25439 1 136 134 ARG . 25439 1 137 135 LYS . 25439 1 138 136 LYS . 25439 1 139 137 GLY . 25439 1 140 138 THR . 25439 1 141 139 GLN . 25439 1 142 140 VAL . 25439 1 143 141 SER . 25439 1 144 142 PHE . 25439 1 145 143 HIS . 25439 1 146 144 GLN . 25439 1 147 145 CYS . 25439 1 148 146 VAL . 25439 1 149 147 HIS . 25439 1 150 148 CYS . 25439 1 151 149 GLY . 25439 1 152 150 CYS . 25439 1 153 151 ARG . 25439 1 154 152 GLY . 25439 1 155 153 CYS . 25439 1 156 154 ALA . 25439 1 157 155 SER . 25439 1 158 156 THR . 25439 1 159 157 ASP . 25439 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 . GLY 1 1 25439 1 . GLY 2 2 25439 1 . SER 3 3 25439 1 . PRO 4 4 25439 1 . ARG 5 5 25439 1 . ILE 6 6 25439 1 . LYS 7 7 25439 1 . THR 8 8 25439 1 . ARG 9 9 25439 1 . ARG 10 10 25439 1 . SER 11 11 25439 1 . LYS 12 12 25439 1 . PRO 13 13 25439 1 . ALA 14 14 25439 1 . PRO 15 15 25439 1 . ASP 16 16 25439 1 . GLY 17 17 25439 1 . PHE 18 18 25439 1 . GLU 19 19 25439 1 . LYS 20 20 25439 1 . ILE 21 21 25439 1 . LYS 22 22 25439 1 . PRO 23 23 25439 1 . THR 24 24 25439 1 . LEU 25 25 25439 1 . THR 26 26 25439 1 . ASP 27 27 25439 1 . PHE 28 28 25439 1 . GLU 29 29 25439 1 . ILE 30 30 25439 1 . GLN 31 31 25439 1 . LEU 32 32 25439 1 . ARG 33 33 25439 1 . ASP 34 34 25439 1 . ALA 35 35 25439 1 . GLN 36 36 25439 1 . LYS 37 37 25439 1 . ASP 38 38 25439 1 . LYS 39 39 25439 1 . SER 40 40 25439 1 . SER 41 41 25439 1 . LYS 42 42 25439 1 . LEU 43 43 25439 1 . ALA 44 44 25439 1 . ALA 45 45 25439 1 . LYS 46 46 25439 1 . SER 47 47 25439 1 . ASN 48 48 25439 1 . GLU 49 49 25439 1 . GLN 50 50 25439 1 . LEU 51 51 25439 1 . TRP 52 52 25439 1 . GLU 53 53 25439 1 . ILE 54 54 25439 1 . MET 55 55 25439 1 . GLN 56 56 25439 1 . LEU 57 57 25439 1 . HIS 58 58 25439 1 . HIS 59 59 25439 1 . GLN 60 60 25439 1 . ARG 61 61 25439 1 . SER 62 62 25439 1 . ARG 63 63 25439 1 . TYR 64 64 25439 1 . ILE 65 65 25439 1 . TYR 66 66 25439 1 . THR 67 67 25439 1 . LEU 68 68 25439 1 . TYR 69 69 25439 1 . TYR 70 70 25439 1 . LYS 71 71 25439 1 . ARG 72 72 25439 1 . LYS 73 73 25439 1 . ALA 74 74 25439 1 . ILE 75 75 25439 1 . SER 76 76 25439 1 . LYS 77 77 25439 1 . ASP 78 78 25439 1 . LEU 79 79 25439 1 . TYR 80 80 25439 1 . ASP 81 81 25439 1 . TRP 82 82 25439 1 . LEU 83 83 25439 1 . ILE 84 84 25439 1 . LYS 85 85 25439 1 . GLU 86 86 25439 1 . LYS 87 87 25439 1 . TYR 88 88 25439 1 . ALA 89 89 25439 1 . ASP 90 90 25439 1 . LYS 91 91 25439 1 . LEU 92 92 25439 1 . LEU 93 93 25439 1 . ILE 94 94 25439 1 . ALA 95 95 25439 1 . LYS 96 96 25439 1 . TRP 97 97 25439 1 . ARG 98 98 25439 1 . LYS 99 99 25439 1 . THR 100 100 25439 1 . GLY 101 101 25439 1 . TYR 102 102 25439 1 . GLU 103 103 25439 1 . LYS 104 104 25439 1 . LEU 105 105 25439 1 . CYS 106 106 25439 1 . CYS 107 107 25439 1 . LEU 108 108 25439 1 . ARG 109 109 25439 1 . CYS 110 110 25439 1 . ILE 111 111 25439 1 . GLN 112 112 25439 1 . LYS 113 113 25439 1 . ASN 114 114 25439 1 . GLU 115 115 25439 1 . THR 116 116 25439 1 . ASN 117 117 25439 1 . ASN 118 118 25439 1 . GLY 119 119 25439 1 . SER 120 120 25439 1 . THR 121 121 25439 1 . CYS 122 122 25439 1 . ILE 123 123 25439 1 . CYS 124 124 25439 1 . ARG 125 125 25439 1 . VAL 126 126 25439 1 . PRO 127 127 25439 1 . ARG 128 128 25439 1 . ALA 129 129 25439 1 . GLN 130 130 25439 1 . LEU 131 131 25439 1 . GLU 132 132 25439 1 . GLU 133 133 25439 1 . GLU 134 134 25439 1 . ALA 135 135 25439 1 . ARG 136 136 25439 1 . LYS 137 137 25439 1 . LYS 138 138 25439 1 . GLY 139 139 25439 1 . THR 140 140 25439 1 . GLN 141 141 25439 1 . VAL 142 142 25439 1 . SER 143 143 25439 1 . PHE 144 144 25439 1 . HIS 145 145 25439 1 . GLN 146 146 25439 1 . CYS 147 147 25439 1 . VAL 148 148 25439 1 . HIS 149 149 25439 1 . CYS 150 150 25439 1 . GLY 151 151 25439 1 . CYS 152 152 25439 1 . ARG 153 153 25439 1 . GLY 154 154 25439 1 . CYS 155 155 25439 1 . ALA 156 156 25439 1 . SER 157 157 25439 1 . THR 158 158 25439 1 . ASP 159 159 25439 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 25439 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name 'ZINC ION' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _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 65.409 _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 'ZINC ION' BMRB 25439 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 25439 2 ZN 'Three letter code' 25439 2 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 1 ZN $chem_comp_ZN 25439 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 25439 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Bud31p_polypeptide . 4932 organism . 'Saccharomyces cerevisiae' "Baker's yeast" . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . BUD31 . 25439 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 25439 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Bud31p_polypeptide . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) 'RIL CodonPlus' . . . . pRK172 . . ; Protein was expressed as an N-Terminal Glutathione S Transferase Fusion Protein ; 25439 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 25439 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _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 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _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 . _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 25439 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 25439 ZN [Zn++] SMILES CACTVS 3.341 25439 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 25439 ZN [Zn+2] SMILES ACDLabs 10.04 25439 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 25439 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 25439 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 25439 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 25439 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 ZN . ZN . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 25439 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25439 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Bud31p (Zn)3' '[U-98% 13C; U-98% 15N]' . . 1 $Bud31p_polypeptide . . . 0.3 0.5 mM . . . . 25439 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 25439 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 25439 1 4 DTT [U-2H] . . . . . . 1 . . mM . . . . 25439 1 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 25439 1 6 H2O 'natural abundance' . . . . . . 95 . . % . . . . 25439 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25439 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Bud31p (Zn)3' '[U-98% 13C; U-98% 15N]' . . 1 $Bud31p_polypeptide . . . 0.3 0.5 mM . . . . 25439 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 25439 2 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 25439 2 4 DTT [U-2H] . . . . . . 1 . . mM . . . . 25439 2 5 D2O 'natural abundance' . . . . . . 100 . . % . . . . 25439 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 25439 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Bud31p (Zn)3' '[U-98% 15N]' . . 1 $Bud31p_polypeptide . . . 0.3 0.5 mM . . . . 25439 3 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 25439 3 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 25439 3 4 DTT [U-2H] . . . . . . 1 . . mM . . . . 25439 3 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 25439 3 6 H2O 'natural abundance' . . . . . . 95 . . % . . . . 25439 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25439 _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' 0.27 . M 25439 1 pH 6.5 . pH 25439 1 pressure 1 . atm 25439 1 temperature 300 . K 25439 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25439 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 3.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25439 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25439 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25439 _Software.ID 2 _Software.Name SPARKY _Software.Version 3.115 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 25439 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25439 2 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 25439 _Software.ID 3 _Software.Name X-PLOR_NIH _Software.Version 2.28 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 25439 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25439 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25439 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance AVI' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25439 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 25439 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25439 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker 'Avance AVI' . 800 . . . 25439 1 2 spectrometer_2 Bruker DMX . 600 . . . 25439 1 3 spectrometer_3 Bruker DRX . 500 . . . 25439 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 25439 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25439 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25439 1 3 '2D 1H-13C HSQC aliphatic (constant-time)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25439 1 4 '2D 1H-13C HSQC aromatic (constant-time)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25439 1 5 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25439 1 6 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25439 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25439 1 8 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25439 1 9 '3D HBHANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25439 1 10 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25439 1 11 '3D HC(C)H-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25439 1 12 '3D HC(C)H-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25439 1 13 '3D (H)CCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25439 1 14 '3D HNHB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25439 1 15 '3D HACAHB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25439 1 16 '3D 1H-15N NOESY (50ms mixing)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25439 1 17 '3D 1H-13C NOESY aliphatic (50ms mixing)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25439 1 18 '3D 1H-13C NOESY aromatic (50ms mixing)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25439 1 19 '3D 1H-15N NOESY (150ms mixing)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25439 1 20 '3D 1H-13C NOESY aliphatic (150ms mixing)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25439 1 21 '3D 1H-13C NOESY aromatic (150ms mixing)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25439 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25439 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 TSP 'methyl protons' . . . . ppm 0 external indirect 0.251449530 'separate tube (no insert) similar to the experimental sample tube' . . none . 25439 1 H 1 TSP 'methyl protons' . . . . ppm 0 external direct 1.0 'separate tube (no insert) similar to the experimental sample tube' . . none . 25439 1 N 15 TSP 'methyl protons' . . . . ppm 0 external indirect 0.101329118 'separate tube (no insert) similar to the experimental sample tube' . . none . 25439 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25439 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 25439 1 2 '2D 1H-13C HSQC' . . . 25439 1 3 '2D 1H-13C HSQC aliphatic (constant-time)' . . . 25439 1 4 '2D 1H-13C HSQC aromatic (constant-time)' . . . 25439 1 5 '2D 1H-15N HSQC' . . . 25439 1 6 '2D 1H-1H NOESY' . . . 25439 1 7 '3D HNCACB' . . . 25439 1 8 '3D CBCA(CO)NH' . . . 25439 1 9 '3D HBHANH' . . . 25439 1 10 '3D HBHA(CO)NH' . . . 25439 1 11 '3D HC(C)H-COSY' . . . 25439 1 12 '3D HC(C)H-TOCSY' . . . 25439 1 13 '3D (H)CCH-TOCSY' . . . 25439 1 14 '3D HNHB' . . . 25439 1 15 '3D HACAHB' . . . 25439 1 16 '3D 1H-15N NOESY (50ms mixing)' . . . 25439 1 18 '3D 1H-13C NOESY aromatic (50ms mixing)' . . . 25439 1 19 '3D 1H-15N NOESY (150ms mixing)' . . . 25439 1 20 '3D 1H-13C NOESY aliphatic (150ms mixing)' . . . 25439 1 21 '3D 1H-13C NOESY aromatic (150ms mixing)' . . . 25439 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 GLY HA2 H 1 4.065 0.020 . 1 . . . A -1 GLY HA2 . 25439 1 2 . 1 1 1 1 GLY HA3 H 1 4.065 0.020 . 1 . . . A -1 GLY HA3 . 25439 1 3 . 1 1 1 1 GLY CA C 13 44.963 0.100 . 1 . . . A -1 GLY CA . 25439 1 4 . 1 1 2 2 GLY HA2 H 1 3.870 0.020 . 1 . . . A 0 GLY HA2 . 25439 1 5 . 1 1 2 2 GLY HA3 H 1 3.870 0.020 . 1 . . . A 0 GLY HA3 . 25439 1 6 . 1 1 2 2 GLY CA C 13 43.750 0.100 . 1 . . . A 0 GLY CA . 25439 1 7 . 1 1 3 3 SER H H 1 8.381 0.020 . 1 . . . A 1 SER H . 25439 1 8 . 1 1 3 3 SER HA H 1 4.809 0.020 . 1 . . . A 1 SER HA . 25439 1 9 . 1 1 3 3 SER HB2 H 1 3.845 0.020 . 2 . . . A 1 SER HB2 . 25439 1 10 . 1 1 3 3 SER HB3 H 1 3.893 0.020 . 2 . . . A 1 SER HB3 . 25439 1 11 . 1 1 3 3 SER CA C 13 56.525 0.100 . 1 . . . A 1 SER CA . 25439 1 12 . 1 1 3 3 SER CB C 13 63.385 0.100 . 1 . . . A 1 SER CB . 25439 1 13 . 1 1 3 3 SER N N 15 117.201 0.100 . 1 . . . A 1 SER N . 25439 1 14 . 1 1 4 4 PRO HA H 1 4.468 0.020 . 1 . . . A 2 PRO HA . 25439 1 15 . 1 1 4 4 PRO HB2 H 1 1.912 0.020 . 2 . . . A 2 PRO HB2 . 25439 1 16 . 1 1 4 4 PRO HB3 H 1 2.310 0.020 . 2 . . . A 2 PRO HB3 . 25439 1 17 . 1 1 4 4 PRO HG2 H 1 2.031 0.020 . 1 . . . A 2 PRO HG2 . 25439 1 18 . 1 1 4 4 PRO HG3 H 1 2.031 0.020 . 1 . . . A 2 PRO HG3 . 25439 1 19 . 1 1 4 4 PRO HD2 H 1 3.735 0.020 . 2 . . . A 2 PRO HD2 . 25439 1 20 . 1 1 4 4 PRO HD3 H 1 3.854 0.020 . 2 . . . A 2 PRO HD3 . 25439 1 21 . 1 1 4 4 PRO CA C 13 63.292 0.100 . 1 . . . A 2 PRO CA . 25439 1 22 . 1 1 4 4 PRO CB C 13 32.174 0.100 . 1 . . . A 2 PRO CB . 25439 1 23 . 1 1 4 4 PRO CG C 13 27.401 0.100 . 1 . . . A 2 PRO CG . 25439 1 24 . 1 1 4 4 PRO CD C 13 50.847 0.100 . 1 . . . A 2 PRO CD . 25439 1 25 . 1 1 5 5 ARG H H 1 8.428 0.020 . 1 . . . A 3 ARG H . 25439 1 26 . 1 1 5 5 ARG HA H 1 4.324 0.020 . 1 . . . A 3 ARG HA . 25439 1 27 . 1 1 5 5 ARG HB2 H 1 1.773 0.020 . 2 . . . A 3 ARG HB2 . 25439 1 28 . 1 1 5 5 ARG HB3 H 1 1.835 0.020 . 2 . . . A 3 ARG HB3 . 25439 1 29 . 1 1 5 5 ARG CA C 13 56.226 0.100 . 1 . . . A 3 ARG CA . 25439 1 30 . 1 1 5 5 ARG CB C 13 30.732 0.100 . 1 . . . A 3 ARG CB . 25439 1 31 . 1 1 5 5 ARG N N 15 121.649 0.100 . 1 . . . A 3 ARG N . 25439 1 32 . 1 1 6 6 ILE H H 1 8.165 0.020 . 1 . . . A 4 ILE H . 25439 1 33 . 1 1 6 6 ILE HA H 1 4.181 0.020 . 1 . . . A 4 ILE HA . 25439 1 34 . 1 1 6 6 ILE HB H 1 1.869 0.020 . 1 . . . A 4 ILE HB . 25439 1 35 . 1 1 6 6 ILE HG12 H 1 1.214 0.020 . 2 . . . A 4 ILE HG12 . 25439 1 36 . 1 1 6 6 ILE HG13 H 1 1.483 0.020 . 2 . . . A 4 ILE HG13 . 25439 1 37 . 1 1 6 6 ILE HG21 H 1 0.916 0.020 . 1 . . . A 4 ILE HG21 . 25439 1 38 . 1 1 6 6 ILE HG22 H 1 0.916 0.020 . 1 . . . A 4 ILE HG22 . 25439 1 39 . 1 1 6 6 ILE HG23 H 1 0.916 0.020 . 1 . . . A 4 ILE HG23 . 25439 1 40 . 1 1 6 6 ILE HD11 H 1 0.870 0.020 . 1 . . . A 4 ILE HD11 . 25439 1 41 . 1 1 6 6 ILE HD12 H 1 0.870 0.020 . 1 . . . A 4 ILE HD12 . 25439 1 42 . 1 1 6 6 ILE HD13 H 1 0.870 0.020 . 1 . . . A 4 ILE HD13 . 25439 1 43 . 1 1 6 6 ILE CA C 13 60.943 0.100 . 1 . . . A 4 ILE CA . 25439 1 44 . 1 1 6 6 ILE CB C 13 38.751 0.100 . 1 . . . A 4 ILE CB . 25439 1 45 . 1 1 6 6 ILE CG1 C 13 27.303 0.100 . 1 . . . A 4 ILE CG1 . 25439 1 46 . 1 1 6 6 ILE CG2 C 13 17.573 0.100 . 1 . . . A 4 ILE CG2 . 25439 1 47 . 1 1 6 6 ILE CD1 C 13 12.784 0.100 . 1 . . . A 4 ILE CD1 . 25439 1 48 . 1 1 6 6 ILE N N 15 122.500 0.100 . 1 . . . A 4 ILE N . 25439 1 49 . 1 1 7 7 LYS H H 1 8.500 0.020 . 1 . . . A 5 LYS H . 25439 1 50 . 1 1 7 7 LYS HA H 1 4.402 0.020 . 1 . . . A 5 LYS HA . 25439 1 51 . 1 1 7 7 LYS HB2 H 1 1.772 0.020 . 2 . . . A 5 LYS HB2 . 25439 1 52 . 1 1 7 7 LYS HB3 H 1 1.863 0.020 . 2 . . . A 5 LYS HB3 . 25439 1 53 . 1 1 7 7 LYS CA C 13 56.422 0.100 . 1 . . . A 5 LYS CA . 25439 1 54 . 1 1 7 7 LYS CB C 13 33.130 0.100 . 1 . . . A 5 LYS CB . 25439 1 55 . 1 1 7 7 LYS N N 15 126.237 0.100 . 1 . . . A 5 LYS N . 25439 1 56 . 1 1 8 8 THR H H 1 8.194 0.020 . 1 . . . A 6 THR H . 25439 1 57 . 1 1 8 8 THR HA H 1 4.323 0.020 . 1 . . . A 6 THR HA . 25439 1 58 . 1 1 8 8 THR HB H 1 4.194 0.020 . 1 . . . A 6 THR HB . 25439 1 59 . 1 1 8 8 THR HG21 H 1 1.220 0.020 . 1 . . . A 6 THR HG21 . 25439 1 60 . 1 1 8 8 THR HG22 H 1 1.220 0.020 . 1 . . . A 6 THR HG22 . 25439 1 61 . 1 1 8 8 THR HG23 H 1 1.220 0.020 . 1 . . . A 6 THR HG23 . 25439 1 62 . 1 1 8 8 THR CA C 13 61.918 0.100 . 1 . . . A 6 THR CA . 25439 1 63 . 1 1 8 8 THR CB C 13 69.963 0.100 . 1 . . . A 6 THR CB . 25439 1 64 . 1 1 8 8 THR CG2 C 13 21.732 0.100 . 1 . . . A 6 THR CG2 . 25439 1 65 . 1 1 8 8 THR N N 15 116.495 0.100 . 1 . . . A 6 THR N . 25439 1 66 . 1 1 9 9 ARG H H 1 8.458 0.020 . 1 . . . A 7 ARG H . 25439 1 67 . 1 1 9 9 ARG HA H 1 4.396 0.020 . 1 . . . A 7 ARG HA . 25439 1 68 . 1 1 9 9 ARG HB2 H 1 1.801 0.020 . 2 . . . A 7 ARG HB2 . 25439 1 69 . 1 1 9 9 ARG HB3 H 1 1.892 0.020 . 2 . . . A 7 ARG HB3 . 25439 1 70 . 1 1 9 9 ARG CA C 13 56.128 0.100 . 1 . . . A 7 ARG CA . 25439 1 71 . 1 1 9 9 ARG CB C 13 30.953 0.100 . 1 . . . A 7 ARG CB . 25439 1 72 . 1 1 9 9 ARG N N 15 124.128 0.100 . 1 . . . A 7 ARG N . 25439 1 73 . 1 1 10 10 ARG H H 1 8.526 0.020 . 1 . . . A 8 ARG H . 25439 1 74 . 1 1 10 10 ARG HA H 1 4.424 0.020 . 1 . . . A 8 ARG HA . 25439 1 75 . 1 1 10 10 ARG HB2 H 1 1.796 0.020 . 2 . . . A 8 ARG HB2 . 25439 1 76 . 1 1 10 10 ARG HB3 H 1 1.903 0.020 . 2 . . . A 8 ARG HB3 . 25439 1 77 . 1 1 10 10 ARG CA C 13 56.011 0.100 . 1 . . . A 8 ARG CA . 25439 1 78 . 1 1 10 10 ARG CB C 13 31.058 0.100 . 1 . . . A 8 ARG CB . 25439 1 79 . 1 1 10 10 ARG N N 15 123.384 0.100 . 1 . . . A 8 ARG N . 25439 1 80 . 1 1 11 11 SER H H 1 8.450 0.020 . 1 . . . A 9 SER H . 25439 1 81 . 1 1 11 11 SER HA H 1 4.473 0.020 . 1 . . . A 9 SER HA . 25439 1 82 . 1 1 11 11 SER HB2 H 1 3.868 0.020 . 2 . . . A 9 SER HB2 . 25439 1 83 . 1 1 11 11 SER HB3 H 1 3.906 0.020 . 2 . . . A 9 SER HB3 . 25439 1 84 . 1 1 11 11 SER CA C 13 58.568 0.100 . 1 . . . A 9 SER CA . 25439 1 85 . 1 1 11 11 SER CB C 13 63.986 0.100 . 1 . . . A 9 SER CB . 25439 1 86 . 1 1 11 11 SER N N 15 118.446 0.100 . 1 . . . A 9 SER N . 25439 1 87 . 1 1 12 12 LYS H H 1 8.426 0.020 . 1 . . . A 10 LYS H . 25439 1 88 . 1 1 12 12 LYS HA H 1 4.673 0.020 . 1 . . . A 10 LYS HA . 25439 1 89 . 1 1 12 12 LYS HB2 H 1 1.811 0.020 . 2 . . . A 10 LYS HB2 . 25439 1 90 . 1 1 12 12 LYS HB3 H 1 1.893 0.020 . 2 . . . A 10 LYS HB3 . 25439 1 91 . 1 1 12 12 LYS CA C 13 54.412 0.100 . 1 . . . A 10 LYS CA . 25439 1 92 . 1 1 12 12 LYS CB C 13 32.693 0.100 . 1 . . . A 10 LYS CB . 25439 1 93 . 1 1 12 12 LYS N N 15 124.117 0.100 . 1 . . . A 10 LYS N . 25439 1 94 . 1 1 13 13 PRO HA H 1 4.360 0.020 . 1 . . . A 11 PRO HA . 25439 1 95 . 1 1 13 13 PRO HB2 H 1 1.825 0.020 . 2 . . . A 11 PRO HB2 . 25439 1 96 . 1 1 13 13 PRO HB3 H 1 2.235 0.020 . 2 . . . A 11 PRO HB3 . 25439 1 97 . 1 1 13 13 PRO HG2 H 1 1.993 0.020 . 1 . . . A 11 PRO HG2 . 25439 1 98 . 1 1 13 13 PRO HG3 H 1 1.993 0.020 . 1 . . . A 11 PRO HG3 . 25439 1 99 . 1 1 13 13 PRO HD2 H 1 3.639 0.020 . 2 . . . A 11 PRO HD2 . 25439 1 100 . 1 1 13 13 PRO HD3 H 1 3.819 0.020 . 2 . . . A 11 PRO HD3 . 25439 1 101 . 1 1 13 13 PRO CA C 13 62.861 0.100 . 1 . . . A 11 PRO CA . 25439 1 102 . 1 1 13 13 PRO CB C 13 32.106 0.100 . 1 . . . A 11 PRO CB . 25439 1 103 . 1 1 13 13 PRO CG C 13 27.388 0.100 . 1 . . . A 11 PRO CG . 25439 1 104 . 1 1 13 13 PRO CD C 13 50.683 0.100 . 1 . . . A 11 PRO CD . 25439 1 105 . 1 1 14 14 ALA H H 1 7.890 0.020 . 1 . . . A 12 ALA H . 25439 1 106 . 1 1 14 14 ALA HA H 1 2.889 0.020 . 1 . . . A 12 ALA HA . 25439 1 107 . 1 1 14 14 ALA HB1 H 1 0.014 0.020 . 1 . . . A 12 ALA HB1 . 25439 1 108 . 1 1 14 14 ALA HB2 H 1 0.014 0.020 . 1 . . . A 12 ALA HB2 . 25439 1 109 . 1 1 14 14 ALA HB3 H 1 0.014 0.020 . 1 . . . A 12 ALA HB3 . 25439 1 110 . 1 1 14 14 ALA CA C 13 49.735 0.100 . 1 . . . A 12 ALA CA . 25439 1 111 . 1 1 14 14 ALA CB C 13 18.066 0.100 . 1 . . . A 12 ALA CB . 25439 1 112 . 1 1 14 14 ALA N N 15 124.420 0.100 . 1 . . . A 12 ALA N . 25439 1 113 . 1 1 15 15 PRO HA H 1 4.207 0.020 . 1 . . . A 13 PRO HA . 25439 1 114 . 1 1 15 15 PRO HB2 H 1 1.436 0.020 . 2 . . . A 13 PRO HB2 . 25439 1 115 . 1 1 15 15 PRO HB3 H 1 2.242 0.020 . 2 . . . A 13 PRO HB3 . 25439 1 116 . 1 1 15 15 PRO HD2 H 1 2.081 0.020 . 2 . . . A 13 PRO HD2 . 25439 1 117 . 1 1 15 15 PRO HD3 H 1 2.486 0.020 . 2 . . . A 13 PRO HD3 . 25439 1 118 . 1 1 15 15 PRO CA C 13 62.111 0.100 . 1 . . . A 13 PRO CA . 25439 1 119 . 1 1 15 15 PRO CB C 13 32.582 0.100 . 1 . . . A 13 PRO CB . 25439 1 120 . 1 1 15 15 PRO CD C 13 49.878 0.100 . 1 . . . A 13 PRO CD . 25439 1 121 . 1 1 16 16 ASP H H 1 8.206 0.020 . 1 . . . A 14 ASP H . 25439 1 122 . 1 1 16 16 ASP HA H 1 4.379 0.020 . 1 . . . A 14 ASP HA . 25439 1 123 . 1 1 16 16 ASP HB2 H 1 2.604 0.020 . 2 . . . A 14 ASP HB2 . 25439 1 124 . 1 1 16 16 ASP HB3 H 1 2.637 0.020 . 2 . . . A 14 ASP HB3 . 25439 1 125 . 1 1 16 16 ASP CA C 13 56.427 0.100 . 1 . . . A 14 ASP CA . 25439 1 126 . 1 1 16 16 ASP CB C 13 41.177 0.100 . 1 . . . A 14 ASP CB . 25439 1 127 . 1 1 16 16 ASP N N 15 119.535 0.100 . 1 . . . A 14 ASP N . 25439 1 128 . 1 1 17 17 GLY H H 1 8.723 0.020 . 1 . . . A 15 GLY H . 25439 1 129 . 1 1 17 17 GLY HA2 H 1 3.728 0.020 . 2 . . . A 15 GLY HA2 . 25439 1 130 . 1 1 17 17 GLY HA3 H 1 4.562 0.020 . 2 . . . A 15 GLY HA3 . 25439 1 131 . 1 1 17 17 GLY CA C 13 45.146 0.100 . 1 . . . A 15 GLY CA . 25439 1 132 . 1 1 17 17 GLY N N 15 113.273 0.100 . 1 . . . A 15 GLY N . 25439 1 133 . 1 1 18 18 PHE H H 1 8.127 0.020 . 1 . . . A 16 PHE H . 25439 1 134 . 1 1 18 18 PHE HA H 1 4.125 0.020 . 1 . . . A 16 PHE HA . 25439 1 135 . 1 1 18 18 PHE HB2 H 1 2.996 0.020 . 1 . . . A 16 PHE HB2 . 25439 1 136 . 1 1 18 18 PHE HB3 H 1 2.814 0.020 . 1 . . . A 16 PHE HB3 . 25439 1 137 . 1 1 18 18 PHE HD1 H 1 7.015 0.020 . 1 . . . A 16 PHE HD1 . 25439 1 138 . 1 1 18 18 PHE HD2 H 1 7.015 0.020 . 1 . . . A 16 PHE HD2 . 25439 1 139 . 1 1 18 18 PHE HE1 H 1 7.172 0.020 . 1 . . . A 16 PHE HE1 . 25439 1 140 . 1 1 18 18 PHE HE2 H 1 7.172 0.020 . 1 . . . A 16 PHE HE2 . 25439 1 141 . 1 1 18 18 PHE HZ H 1 7.402 0.020 . 1 . . . A 16 PHE HZ . 25439 1 142 . 1 1 18 18 PHE CA C 13 60.715 0.100 . 1 . . . A 16 PHE CA . 25439 1 143 . 1 1 18 18 PHE CB C 13 39.639 0.100 . 1 . . . A 16 PHE CB . 25439 1 144 . 1 1 18 18 PHE CD1 C 13 131.356 0.100 . 1 . . . A 16 PHE CD1 . 25439 1 145 . 1 1 18 18 PHE CD2 C 13 131.356 0.100 . 1 . . . A 16 PHE CD2 . 25439 1 146 . 1 1 18 18 PHE CE1 C 13 131.407 0.100 . 1 . . . A 16 PHE CE1 . 25439 1 147 . 1 1 18 18 PHE CE2 C 13 131.407 0.100 . 1 . . . A 16 PHE CE2 . 25439 1 148 . 1 1 18 18 PHE CZ C 13 129.321 0.100 . 1 . . . A 16 PHE CZ . 25439 1 149 . 1 1 18 18 PHE N N 15 123.113 0.100 . 1 . . . A 16 PHE N . 25439 1 150 . 1 1 19 19 GLU H H 1 9.088 0.020 . 1 . . . A 17 GLU H . 25439 1 151 . 1 1 19 19 GLU HA H 1 3.768 0.020 . 1 . . . A 17 GLU HA . 25439 1 152 . 1 1 19 19 GLU HB2 H 1 2.125 0.020 . 1 . . . A 17 GLU HB2 . 25439 1 153 . 1 1 19 19 GLU HB3 H 1 2.023 0.020 . 1 . . . A 17 GLU HB3 . 25439 1 154 . 1 1 19 19 GLU HG2 H 1 2.331 0.020 . 1 . . . A 17 GLU HG2 . 25439 1 155 . 1 1 19 19 GLU HG3 H 1 2.471 0.020 . 1 . . . A 17 GLU HG3 . 25439 1 156 . 1 1 19 19 GLU CA C 13 59.234 0.100 . 1 . . . A 17 GLU CA . 25439 1 157 . 1 1 19 19 GLU CB C 13 28.495 0.100 . 1 . . . A 17 GLU CB . 25439 1 158 . 1 1 19 19 GLU CG C 13 36.177 0.100 . 1 . . . A 17 GLU CG . 25439 1 159 . 1 1 19 19 GLU N N 15 115.695 0.100 . 1 . . . A 17 GLU N . 25439 1 160 . 1 1 20 20 LYS H H 1 7.285 0.020 . 1 . . . A 18 LYS H . 25439 1 161 . 1 1 20 20 LYS HA H 1 4.165 0.020 . 1 . . . A 18 LYS HA . 25439 1 162 . 1 1 20 20 LYS HB2 H 1 1.917 0.020 . 1 . . . A 18 LYS HB2 . 25439 1 163 . 1 1 20 20 LYS HB3 H 1 1.956 0.020 . 1 . . . A 18 LYS HB3 . 25439 1 164 . 1 1 20 20 LYS HG2 H 1 1.509 0.020 . 2 . . . A 18 LYS HG2 . 25439 1 165 . 1 1 20 20 LYS HG3 H 1 1.555 0.020 . 2 . . . A 18 LYS HG3 . 25439 1 166 . 1 1 20 20 LYS CA C 13 58.249 0.100 . 1 . . . A 18 LYS CA . 25439 1 167 . 1 1 20 20 LYS CB C 13 32.725 0.100 . 1 . . . A 18 LYS CB . 25439 1 168 . 1 1 20 20 LYS CG C 13 25.340 0.100 . 1 . . . A 18 LYS CG . 25439 1 169 . 1 1 20 20 LYS N N 15 115.887 0.100 . 1 . . . A 18 LYS N . 25439 1 170 . 1 1 21 21 ILE H H 1 7.031 0.020 . 1 . . . A 19 ILE H . 25439 1 171 . 1 1 21 21 ILE HA H 1 4.722 0.020 . 1 . . . A 19 ILE HA . 25439 1 172 . 1 1 21 21 ILE HB H 1 2.434 0.020 . 1 . . . A 19 ILE HB . 25439 1 173 . 1 1 21 21 ILE HG12 H 1 1.305 0.020 . 2 . . . A 19 ILE HG12 . 25439 1 174 . 1 1 21 21 ILE HG13 H 1 1.377 0.020 . 2 . . . A 19 ILE HG13 . 25439 1 175 . 1 1 21 21 ILE HG21 H 1 0.901 0.020 . 1 . . . A 19 ILE HG21 . 25439 1 176 . 1 1 21 21 ILE HG22 H 1 0.901 0.020 . 1 . . . A 19 ILE HG22 . 25439 1 177 . 1 1 21 21 ILE HG23 H 1 0.901 0.020 . 1 . . . A 19 ILE HG23 . 25439 1 178 . 1 1 21 21 ILE HD11 H 1 0.969 0.020 . 1 . . . A 19 ILE HD11 . 25439 1 179 . 1 1 21 21 ILE HD12 H 1 0.969 0.020 . 1 . . . A 19 ILE HD12 . 25439 1 180 . 1 1 21 21 ILE HD13 H 1 0.969 0.020 . 1 . . . A 19 ILE HD13 . 25439 1 181 . 1 1 21 21 ILE CA C 13 61.093 0.100 . 1 . . . A 19 ILE CA . 25439 1 182 . 1 1 21 21 ILE CB C 13 39.139 0.100 . 1 . . . A 19 ILE CB . 25439 1 183 . 1 1 21 21 ILE CG1 C 13 26.345 0.100 . 1 . . . A 19 ILE CG1 . 25439 1 184 . 1 1 21 21 ILE CG2 C 13 18.073 0.100 . 1 . . . A 19 ILE CG2 . 25439 1 185 . 1 1 21 21 ILE CD1 C 13 16.228 0.100 . 1 . . . A 19 ILE CD1 . 25439 1 186 . 1 1 21 21 ILE N N 15 110.277 0.100 . 1 . . . A 19 ILE N . 25439 1 187 . 1 1 22 22 LYS H H 1 7.666 0.020 . 1 . . . A 20 LYS H . 25439 1 188 . 1 1 22 22 LYS HA H 1 3.603 0.020 . 1 . . . A 20 LYS HA . 25439 1 189 . 1 1 22 22 LYS HB2 H 1 1.028 0.020 . 1 . . . A 20 LYS HB2 . 25439 1 190 . 1 1 22 22 LYS HB3 H 1 1.548 0.020 . 1 . . . A 20 LYS HB3 . 25439 1 191 . 1 1 22 22 LYS HE2 H 1 2.996 0.020 . 1 . . . A 20 LYS HE2 . 25439 1 192 . 1 1 22 22 LYS HE3 H 1 2.996 0.020 . 1 . . . A 20 LYS HE3 . 25439 1 193 . 1 1 22 22 LYS CA C 13 60.917 0.100 . 1 . . . A 20 LYS CA . 25439 1 194 . 1 1 22 22 LYS CB C 13 30.210 0.100 . 1 . . . A 20 LYS CB . 25439 1 195 . 1 1 22 22 LYS CE C 13 42.098 0.100 . 1 . . . A 20 LYS CE . 25439 1 196 . 1 1 22 22 LYS N N 15 124.540 0.100 . 1 . . . A 20 LYS N . 25439 1 197 . 1 1 23 23 PRO HA H 1 4.292 0.020 . 1 . . . A 21 PRO HA . 25439 1 198 . 1 1 23 23 PRO HB2 H 1 1.929 0.020 . 2 . . . A 21 PRO HB2 . 25439 1 199 . 1 1 23 23 PRO HB3 H 1 2.370 0.020 . 2 . . . A 21 PRO HB3 . 25439 1 200 . 1 1 23 23 PRO HD2 H 1 3.391 0.020 . 2 . . . A 21 PRO HD2 . 25439 1 201 . 1 1 23 23 PRO HD3 H 1 3.687 0.020 . 2 . . . A 21 PRO HD3 . 25439 1 202 . 1 1 23 23 PRO CA C 13 66.990 0.100 . 1 . . . A 21 PRO CA . 25439 1 203 . 1 1 23 23 PRO CB C 13 30.779 0.100 . 1 . . . A 21 PRO CB . 25439 1 204 . 1 1 23 23 PRO CD C 13 50.462 0.100 . 1 . . . A 21 PRO CD . 25439 1 205 . 1 1 24 24 THR H H 1 7.331 0.020 . 1 . . . A 22 THR H . 25439 1 206 . 1 1 24 24 THR HA H 1 3.866 0.020 . 1 . . . A 22 THR HA . 25439 1 207 . 1 1 24 24 THR HB H 1 4.167 0.020 . 1 . . . A 22 THR HB . 25439 1 208 . 1 1 24 24 THR HG21 H 1 0.541 0.020 . 1 . . . A 22 THR HG21 . 25439 1 209 . 1 1 24 24 THR HG22 H 1 0.541 0.020 . 1 . . . A 22 THR HG22 . 25439 1 210 . 1 1 24 24 THR HG23 H 1 0.541 0.020 . 1 . . . A 22 THR HG23 . 25439 1 211 . 1 1 24 24 THR CA C 13 66.575 0.100 . 1 . . . A 22 THR CA . 25439 1 212 . 1 1 24 24 THR CB C 13 68.731 0.100 . 1 . . . A 22 THR CB . 25439 1 213 . 1 1 24 24 THR CG2 C 13 21.815 0.100 . 1 . . . A 22 THR CG2 . 25439 1 214 . 1 1 24 24 THR N N 15 114.917 0.100 . 1 . . . A 22 THR N . 25439 1 215 . 1 1 25 25 LEU H H 1 7.991 0.020 . 1 . . . A 23 LEU H . 25439 1 216 . 1 1 25 25 LEU HA H 1 4.397 0.020 . 1 . . . A 23 LEU HA . 25439 1 217 . 1 1 25 25 LEU HB2 H 1 2.081 0.020 . 1 . . . A 23 LEU HB2 . 25439 1 218 . 1 1 25 25 LEU HB3 H 1 1.838 0.020 . 1 . . . A 23 LEU HB3 . 25439 1 219 . 1 1 25 25 LEU HG H 1 1.990 0.020 . 1 . . . A 23 LEU HG . 25439 1 220 . 1 1 25 25 LEU HD11 H 1 1.116 0.020 . 2 . . . A 23 LEU HD11 . 25439 1 221 . 1 1 25 25 LEU HD12 H 1 1.116 0.020 . 2 . . . A 23 LEU HD12 . 25439 1 222 . 1 1 25 25 LEU HD13 H 1 1.116 0.020 . 2 . . . A 23 LEU HD13 . 25439 1 223 . 1 1 25 25 LEU HD21 H 1 0.757 0.020 . 2 . . . A 23 LEU HD21 . 25439 1 224 . 1 1 25 25 LEU HD22 H 1 0.757 0.020 . 2 . . . A 23 LEU HD22 . 25439 1 225 . 1 1 25 25 LEU HD23 H 1 0.757 0.020 . 2 . . . A 23 LEU HD23 . 25439 1 226 . 1 1 25 25 LEU CA C 13 58.740 0.100 . 1 . . . A 23 LEU CA . 25439 1 227 . 1 1 25 25 LEU CB C 13 40.489 0.100 . 1 . . . A 23 LEU CB . 25439 1 228 . 1 1 25 25 LEU CG C 13 26.886 0.100 . 1 . . . A 23 LEU CG . 25439 1 229 . 1 1 25 25 LEU CD1 C 13 22.642 0.100 . 2 . . . A 23 LEU CD1 . 25439 1 230 . 1 1 25 25 LEU CD2 C 13 26.143 0.100 . 2 . . . A 23 LEU CD2 . 25439 1 231 . 1 1 25 25 LEU N N 15 120.152 0.100 . 1 . . . A 23 LEU N . 25439 1 232 . 1 1 26 26 THR H H 1 9.175 0.020 . 1 . . . A 24 THR H . 25439 1 233 . 1 1 26 26 THR HA H 1 4.095 0.020 . 1 . . . A 24 THR HA . 25439 1 234 . 1 1 26 26 THR HB H 1 4.364 0.020 . 1 . . . A 24 THR HB . 25439 1 235 . 1 1 26 26 THR HG21 H 1 1.346 0.020 . 1 . . . A 24 THR HG21 . 25439 1 236 . 1 1 26 26 THR HG22 H 1 1.346 0.020 . 1 . . . A 24 THR HG22 . 25439 1 237 . 1 1 26 26 THR HG23 H 1 1.346 0.020 . 1 . . . A 24 THR HG23 . 25439 1 238 . 1 1 26 26 THR CA C 13 66.834 0.100 . 1 . . . A 24 THR CA . 25439 1 239 . 1 1 26 26 THR CB C 13 68.614 0.100 . 1 . . . A 24 THR CB . 25439 1 240 . 1 1 26 26 THR CG2 C 13 21.717 0.100 . 1 . . . A 24 THR CG2 . 25439 1 241 . 1 1 26 26 THR N N 15 119.365 0.100 . 1 . . . A 24 THR N . 25439 1 242 . 1 1 27 27 ASP H H 1 7.714 0.020 . 1 . . . A 25 ASP H . 25439 1 243 . 1 1 27 27 ASP HA H 1 4.483 0.020 . 1 . . . A 25 ASP HA . 25439 1 244 . 1 1 27 27 ASP HB2 H 1 2.541 0.020 . 2 . . . A 25 ASP HB2 . 25439 1 245 . 1 1 27 27 ASP HB3 H 1 2.693 0.020 . 2 . . . A 25 ASP HB3 . 25439 1 246 . 1 1 27 27 ASP CA C 13 58.158 0.100 . 1 . . . A 25 ASP CA . 25439 1 247 . 1 1 27 27 ASP CB C 13 40.329 0.100 . 1 . . . A 25 ASP CB . 25439 1 248 . 1 1 27 27 ASP N N 15 122.865 0.100 . 1 . . . A 25 ASP N . 25439 1 249 . 1 1 28 28 PHE H H 1 7.816 0.020 . 1 . . . A 26 PHE H . 25439 1 250 . 1 1 28 28 PHE HA H 1 4.457 0.020 . 1 . . . A 26 PHE HA . 25439 1 251 . 1 1 28 28 PHE HB2 H 1 3.308 0.020 . 1 . . . A 26 PHE HB2 . 25439 1 252 . 1 1 28 28 PHE HB3 H 1 3.176 0.020 . 1 . . . A 26 PHE HB3 . 25439 1 253 . 1 1 28 28 PHE HD1 H 1 7.310 0.020 . 1 . . . A 26 PHE HD1 . 25439 1 254 . 1 1 28 28 PHE HD2 H 1 7.310 0.020 . 1 . . . A 26 PHE HD2 . 25439 1 255 . 1 1 28 28 PHE HE1 H 1 7.206 0.020 . 1 . . . A 26 PHE HE1 . 25439 1 256 . 1 1 28 28 PHE HE2 H 1 7.206 0.020 . 1 . . . A 26 PHE HE2 . 25439 1 257 . 1 1 28 28 PHE HZ H 1 7.239 0.020 . 1 . . . A 26 PHE HZ . 25439 1 258 . 1 1 28 28 PHE CA C 13 62.531 0.100 . 1 . . . A 26 PHE CA . 25439 1 259 . 1 1 28 28 PHE CB C 13 39.468 0.100 . 1 . . . A 26 PHE CB . 25439 1 260 . 1 1 28 28 PHE CD1 C 13 131.153 0.100 . 1 . . . A 26 PHE CD1 . 25439 1 261 . 1 1 28 28 PHE CD2 C 13 131.153 0.100 . 1 . . . A 26 PHE CD2 . 25439 1 262 . 1 1 28 28 PHE CE1 C 13 130.491 0.100 . 1 . . . A 26 PHE CE1 . 25439 1 263 . 1 1 28 28 PHE CE2 C 13 130.491 0.100 . 1 . . . A 26 PHE CE2 . 25439 1 264 . 1 1 28 28 PHE CZ C 13 131.509 0.100 . 1 . . . A 26 PHE CZ . 25439 1 265 . 1 1 28 28 PHE N N 15 116.182 0.100 . 1 . . . A 26 PHE N . 25439 1 266 . 1 1 29 29 GLU H H 1 8.068 0.020 . 1 . . . A 27 GLU H . 25439 1 267 . 1 1 29 29 GLU HA H 1 4.113 0.020 . 1 . . . A 27 GLU HA . 25439 1 268 . 1 1 29 29 GLU HB2 H 1 2.453 0.020 . 1 . . . A 27 GLU HB2 . 25439 1 269 . 1 1 29 29 GLU HB3 H 1 2.453 0.020 . 1 . . . A 27 GLU HB3 . 25439 1 270 . 1 1 29 29 GLU HG2 H 1 2.540 0.020 . 1 . . . A 27 GLU HG2 . 25439 1 271 . 1 1 29 29 GLU HG3 H 1 2.540 0.020 . 1 . . . A 27 GLU HG3 . 25439 1 272 . 1 1 29 29 GLU CA C 13 59.852 0.100 . 1 . . . A 27 GLU CA . 25439 1 273 . 1 1 29 29 GLU CB C 13 29.692 0.100 . 1 . . . A 27 GLU CB . 25439 1 274 . 1 1 29 29 GLU CG C 13 36.288 0.100 . 1 . . . A 27 GLU CG . 25439 1 275 . 1 1 29 29 GLU N N 15 120.107 0.100 . 1 . . . A 27 GLU N . 25439 1 276 . 1 1 30 30 ILE H H 1 8.531 0.020 . 1 . . . A 28 ILE H . 25439 1 277 . 1 1 30 30 ILE HA H 1 3.718 0.020 . 1 . . . A 28 ILE HA . 25439 1 278 . 1 1 30 30 ILE HB H 1 2.103 0.020 . 1 . . . A 28 ILE HB . 25439 1 279 . 1 1 30 30 ILE HG12 H 1 1.259 0.020 . 2 . . . A 28 ILE HG12 . 25439 1 280 . 1 1 30 30 ILE HG13 H 1 1.809 0.020 . 2 . . . A 28 ILE HG13 . 25439 1 281 . 1 1 30 30 ILE HG21 H 1 0.971 0.020 . 1 . . . A 28 ILE HG21 . 25439 1 282 . 1 1 30 30 ILE HG22 H 1 0.971 0.020 . 1 . . . A 28 ILE HG22 . 25439 1 283 . 1 1 30 30 ILE HG23 H 1 0.971 0.020 . 1 . . . A 28 ILE HG23 . 25439 1 284 . 1 1 30 30 ILE HD11 H 1 0.912 0.020 . 1 . . . A 28 ILE HD11 . 25439 1 285 . 1 1 30 30 ILE HD12 H 1 0.912 0.020 . 1 . . . A 28 ILE HD12 . 25439 1 286 . 1 1 30 30 ILE HD13 H 1 0.912 0.020 . 1 . . . A 28 ILE HD13 . 25439 1 287 . 1 1 30 30 ILE CA C 13 65.002 0.100 . 1 . . . A 28 ILE CA . 25439 1 288 . 1 1 30 30 ILE CB C 13 38.023 0.100 . 1 . . . A 28 ILE CB . 25439 1 289 . 1 1 30 30 ILE CG1 C 13 29.095 0.100 . 1 . . . A 28 ILE CG1 . 25439 1 290 . 1 1 30 30 ILE CG2 C 13 17.284 0.100 . 1 . . . A 28 ILE CG2 . 25439 1 291 . 1 1 30 30 ILE CD1 C 13 13.060 0.100 . 1 . . . A 28 ILE CD1 . 25439 1 292 . 1 1 30 30 ILE N N 15 121.494 0.100 . 1 . . . A 28 ILE N . 25439 1 293 . 1 1 31 31 GLN H H 1 8.117 0.020 . 1 . . . A 29 GLN H . 25439 1 294 . 1 1 31 31 GLN HA H 1 4.180 0.020 . 1 . . . A 29 GLN HA . 25439 1 295 . 1 1 31 31 GLN HB2 H 1 2.282 0.020 . 1 . . . A 29 GLN HB2 . 25439 1 296 . 1 1 31 31 GLN HB3 H 1 2.282 0.020 . 1 . . . A 29 GLN HB3 . 25439 1 297 . 1 1 31 31 GLN HG2 H 1 2.382 0.020 . 2 . . . A 29 GLN HG2 . 25439 1 298 . 1 1 31 31 GLN HG3 H 1 2.664 0.020 . 2 . . . A 29 GLN HG3 . 25439 1 299 . 1 1 31 31 GLN HE21 H 1 6.581 0.020 . 2 . . . A 29 GLN HE21 . 25439 1 300 . 1 1 31 31 GLN HE22 H 1 7.171 0.020 . 2 . . . A 29 GLN HE22 . 25439 1 301 . 1 1 31 31 GLN CA C 13 59.507 0.100 . 1 . . . A 29 GLN CA . 25439 1 302 . 1 1 31 31 GLN CB C 13 29.783 0.100 . 1 . . . A 29 GLN CB . 25439 1 303 . 1 1 31 31 GLN CG C 13 35.091 0.100 . 1 . . . A 29 GLN CG . 25439 1 304 . 1 1 31 31 GLN N N 15 118.941 0.100 . 1 . . . A 29 GLN N . 25439 1 305 . 1 1 31 31 GLN NE2 N 15 110.959 0.100 . 1 . . . A 29 GLN NE2 . 25439 1 306 . 1 1 32 32 LEU H H 1 8.677 0.020 . 1 . . . A 30 LEU H . 25439 1 307 . 1 1 32 32 LEU HA H 1 4.032 0.020 . 1 . . . A 30 LEU HA . 25439 1 308 . 1 1 32 32 LEU HB2 H 1 1.599 0.020 . 2 . . . A 30 LEU HB2 . 25439 1 309 . 1 1 32 32 LEU HB3 H 1 2.031 0.020 . 2 . . . A 30 LEU HB3 . 25439 1 310 . 1 1 32 32 LEU HG H 1 1.711 0.020 . 1 . . . A 30 LEU HG . 25439 1 311 . 1 1 32 32 LEU HD11 H 1 0.838 0.020 . 2 . . . A 30 LEU HD11 . 25439 1 312 . 1 1 32 32 LEU HD12 H 1 0.838 0.020 . 2 . . . A 30 LEU HD12 . 25439 1 313 . 1 1 32 32 LEU HD13 H 1 0.838 0.020 . 2 . . . A 30 LEU HD13 . 25439 1 314 . 1 1 32 32 LEU HD21 H 1 0.951 0.020 . 1 . . . A 30 LEU HD21 . 25439 1 315 . 1 1 32 32 LEU HD22 H 1 0.951 0.020 . 1 . . . A 30 LEU HD22 . 25439 1 316 . 1 1 32 32 LEU HD23 H 1 0.951 0.020 . 1 . . . A 30 LEU HD23 . 25439 1 317 . 1 1 32 32 LEU CA C 13 58.333 0.100 . 1 . . . A 30 LEU CA . 25439 1 318 . 1 1 32 32 LEU CB C 13 42.339 0.100 . 1 . . . A 30 LEU CB . 25439 1 319 . 1 1 32 32 LEU CG C 13 27.995 0.100 . 1 . . . A 30 LEU CG . 25439 1 320 . 1 1 32 32 LEU CD1 C 13 24.807 0.100 . 2 . . . A 30 LEU CD1 . 25439 1 321 . 1 1 32 32 LEU CD2 C 13 25.791 0.100 . 2 . . . A 30 LEU CD2 . 25439 1 322 . 1 1 32 32 LEU N N 15 121.724 0.100 . 1 . . . A 30 LEU N . 25439 1 323 . 1 1 33 33 ARG H H 1 8.227 0.020 . 1 . . . A 31 ARG H . 25439 1 324 . 1 1 33 33 ARG HA H 1 4.105 0.020 . 1 . . . A 31 ARG HA . 25439 1 325 . 1 1 33 33 ARG HB2 H 1 2.096 0.020 . 1 . . . A 31 ARG HB2 . 25439 1 326 . 1 1 33 33 ARG HB3 H 1 2.096 0.020 . 1 . . . A 31 ARG HB3 . 25439 1 327 . 1 1 33 33 ARG HD2 H 1 3.275 0.020 . 1 . . . A 31 ARG HD2 . 25439 1 328 . 1 1 33 33 ARG HD3 H 1 3.275 0.020 . 1 . . . A 31 ARG HD3 . 25439 1 329 . 1 1 33 33 ARG CA C 13 59.340 0.100 . 1 . . . A 31 ARG CA . 25439 1 330 . 1 1 33 33 ARG CB C 13 30.044 0.100 . 1 . . . A 31 ARG CB . 25439 1 331 . 1 1 33 33 ARG CD C 13 43.748 0.100 . 1 . . . A 31 ARG CD . 25439 1 332 . 1 1 33 33 ARG N N 15 120.629 0.100 . 1 . . . A 31 ARG N . 25439 1 333 . 1 1 34 34 ASP H H 1 8.407 0.020 . 1 . . . A 32 ASP H . 25439 1 334 . 1 1 34 34 ASP HA H 1 4.484 0.020 . 1 . . . A 32 ASP HA . 25439 1 335 . 1 1 34 34 ASP HB2 H 1 2.769 0.020 . 1 . . . A 32 ASP HB2 . 25439 1 336 . 1 1 34 34 ASP HB3 H 1 2.721 0.020 . 1 . . . A 32 ASP HB3 . 25439 1 337 . 1 1 34 34 ASP CA C 13 57.199 0.100 . 1 . . . A 32 ASP CA . 25439 1 338 . 1 1 34 34 ASP CB C 13 40.202 0.100 . 1 . . . A 32 ASP CB . 25439 1 339 . 1 1 34 34 ASP N N 15 120.233 0.100 . 1 . . . A 32 ASP N . 25439 1 340 . 1 1 35 35 ALA H H 1 8.057 0.020 . 1 . . . A 33 ALA H . 25439 1 341 . 1 1 35 35 ALA HA H 1 4.321 0.020 . 1 . . . A 33 ALA HA . 25439 1 342 . 1 1 35 35 ALA HB1 H 1 1.522 0.020 . 1 . . . A 33 ALA HB1 . 25439 1 343 . 1 1 35 35 ALA HB2 H 1 1.522 0.020 . 1 . . . A 33 ALA HB2 . 25439 1 344 . 1 1 35 35 ALA HB3 H 1 1.522 0.020 . 1 . . . A 33 ALA HB3 . 25439 1 345 . 1 1 35 35 ALA CA C 13 54.207 0.100 . 1 . . . A 33 ALA CA . 25439 1 346 . 1 1 35 35 ALA CB C 13 18.738 0.100 . 1 . . . A 33 ALA CB . 25439 1 347 . 1 1 35 35 ALA N N 15 121.939 0.100 . 1 . . . A 33 ALA N . 25439 1 348 . 1 1 36 36 GLN H H 1 7.746 0.020 . 1 . . . A 34 GLN H . 25439 1 349 . 1 1 36 36 GLN HA H 1 4.248 0.020 . 1 . . . A 34 GLN HA . 25439 1 350 . 1 1 36 36 GLN HB2 H 1 2.139 0.020 . 1 . . . A 34 GLN HB2 . 25439 1 351 . 1 1 36 36 GLN HB3 H 1 2.267 0.020 . 1 . . . A 34 GLN HB3 . 25439 1 352 . 1 1 36 36 GLN HG2 H 1 2.409 0.020 . 2 . . . A 34 GLN HG2 . 25439 1 353 . 1 1 36 36 GLN HG3 H 1 2.607 0.020 . 2 . . . A 34 GLN HG3 . 25439 1 354 . 1 1 36 36 GLN HE21 H 1 6.941 0.020 . 2 . . . A 34 GLN HE21 . 25439 1 355 . 1 1 36 36 GLN HE22 H 1 7.292 0.020 . 2 . . . A 34 GLN HE22 . 25439 1 356 . 1 1 36 36 GLN CA C 13 56.567 0.100 . 1 . . . A 34 GLN CA . 25439 1 357 . 1 1 36 36 GLN CB C 13 29.743 0.100 . 1 . . . A 34 GLN CB . 25439 1 358 . 1 1 36 36 GLN CG C 13 34.725 0.100 . 1 . . . A 34 GLN CG . 25439 1 359 . 1 1 36 36 GLN N N 15 114.736 0.100 . 1 . . . A 34 GLN N . 25439 1 360 . 1 1 36 36 GLN NE2 N 15 111.018 0.100 . 1 . . . A 34 GLN NE2 . 25439 1 361 . 1 1 37 37 LYS H H 1 7.570 0.020 . 1 . . . A 35 LYS H . 25439 1 362 . 1 1 37 37 LYS HA H 1 4.232 0.020 . 1 . . . A 35 LYS HA . 25439 1 363 . 1 1 37 37 LYS HB2 H 1 1.948 0.020 . 1 . . . A 35 LYS HB2 . 25439 1 364 . 1 1 37 37 LYS HB3 H 1 1.876 0.020 . 1 . . . A 35 LYS HB3 . 25439 1 365 . 1 1 37 37 LYS CA C 13 57.427 0.100 . 1 . . . A 35 LYS CA . 25439 1 366 . 1 1 37 37 LYS CB C 13 32.887 0.100 . 1 . . . A 35 LYS CB . 25439 1 367 . 1 1 37 37 LYS N N 15 120.534 0.100 . 1 . . . A 35 LYS N . 25439 1 368 . 1 1 38 38 ASP H H 1 8.375 0.020 . 1 . . . A 36 ASP H . 25439 1 369 . 1 1 38 38 ASP HA H 1 4.595 0.020 . 1 . . . A 36 ASP HA . 25439 1 370 . 1 1 38 38 ASP HB2 H 1 2.682 0.020 . 2 . . . A 36 ASP HB2 . 25439 1 371 . 1 1 38 38 ASP HB3 H 1 2.778 0.020 . 2 . . . A 36 ASP HB3 . 25439 1 372 . 1 1 38 38 ASP CA C 13 54.983 0.100 . 1 . . . A 36 ASP CA . 25439 1 373 . 1 1 38 38 ASP CB C 13 41.129 0.100 . 1 . . . A 36 ASP CB . 25439 1 374 . 1 1 38 38 ASP N N 15 120.943 0.100 . 1 . . . A 36 ASP N . 25439 1 375 . 1 1 39 39 LYS H H 1 8.446 0.020 . 1 . . . A 37 LYS H . 25439 1 376 . 1 1 39 39 LYS HA H 1 4.365 0.020 . 1 . . . A 37 LYS HA . 25439 1 377 . 1 1 39 39 LYS HB2 H 1 1.829 0.020 . 2 . . . A 37 LYS HB2 . 25439 1 378 . 1 1 39 39 LYS HB3 H 1 1.946 0.020 . 2 . . . A 37 LYS HB3 . 25439 1 379 . 1 1 39 39 LYS CA C 13 56.725 0.100 . 1 . . . A 37 LYS CA . 25439 1 380 . 1 1 39 39 LYS CB C 13 32.823 0.100 . 1 . . . A 37 LYS CB . 25439 1 381 . 1 1 39 39 LYS N N 15 122.598 0.100 . 1 . . . A 37 LYS N . 25439 1 382 . 1 1 40 40 SER H H 1 8.392 0.020 . 1 . . . A 38 SER H . 25439 1 383 . 1 1 40 40 SER HA H 1 4.423 0.020 . 1 . . . A 38 SER HA . 25439 1 384 . 1 1 40 40 SER HB2 H 1 3.933 0.020 . 1 . . . A 38 SER HB2 . 25439 1 385 . 1 1 40 40 SER HB3 H 1 3.933 0.020 . 1 . . . A 38 SER HB3 . 25439 1 386 . 1 1 40 40 SER CA C 13 59.193 0.100 . 1 . . . A 38 SER CA . 25439 1 387 . 1 1 40 40 SER CB C 13 63.744 0.100 . 1 . . . A 38 SER CB . 25439 1 388 . 1 1 40 40 SER N N 15 115.849 0.100 . 1 . . . A 38 SER N . 25439 1 389 . 1 1 41 41 SER H H 1 8.283 0.020 . 1 . . . A 39 SER H . 25439 1 390 . 1 1 41 41 SER HA H 1 4.445 0.020 . 1 . . . A 39 SER HA . 25439 1 391 . 1 1 41 41 SER HB2 H 1 3.907 0.020 . 2 . . . A 39 SER HB2 . 25439 1 392 . 1 1 41 41 SER HB3 H 1 3.989 0.020 . 2 . . . A 39 SER HB3 . 25439 1 393 . 1 1 41 41 SER CA C 13 58.933 0.100 . 1 . . . A 39 SER CA . 25439 1 394 . 1 1 41 41 SER CB C 13 63.711 0.100 . 1 . . . A 39 SER CB . 25439 1 395 . 1 1 41 41 SER N N 15 117.258 0.100 . 1 . . . A 39 SER N . 25439 1 396 . 1 1 42 42 LYS H H 1 8.263 0.020 . 1 . . . A 40 LYS H . 25439 1 397 . 1 1 42 42 LYS HA H 1 4.321 0.020 . 1 . . . A 40 LYS HA . 25439 1 398 . 1 1 42 42 LYS HB2 H 1 1.789 0.020 . 2 . . . A 40 LYS HB2 . 25439 1 399 . 1 1 42 42 LYS HB3 H 1 1.893 0.020 . 2 . . . A 40 LYS HB3 . 25439 1 400 . 1 1 42 42 LYS CA C 13 56.847 0.100 . 1 . . . A 40 LYS CA . 25439 1 401 . 1 1 42 42 LYS CB C 13 32.764 0.100 . 1 . . . A 40 LYS CB . 25439 1 402 . 1 1 42 42 LYS N N 15 122.427 0.100 . 1 . . . A 40 LYS N . 25439 1 403 . 1 1 43 43 LEU H H 1 8.068 0.020 . 1 . . . A 41 LEU H . 25439 1 404 . 1 1 43 43 LEU HA H 1 4.308 0.020 . 1 . . . A 41 LEU HA . 25439 1 405 . 1 1 43 43 LEU HB2 H 1 1.613 0.020 . 2 . . . A 41 LEU HB2 . 25439 1 406 . 1 1 43 43 LEU HB3 H 1 1.670 0.020 . 2 . . . A 41 LEU HB3 . 25439 1 407 . 1 1 43 43 LEU HG H 1 1.626 0.020 . 1 . . . A 41 LEU HG . 25439 1 408 . 1 1 43 43 LEU HD11 H 1 0.896 0.020 . 2 . . . A 41 LEU HD11 . 25439 1 409 . 1 1 43 43 LEU HD12 H 1 0.896 0.020 . 2 . . . A 41 LEU HD12 . 25439 1 410 . 1 1 43 43 LEU HD13 H 1 0.896 0.020 . 2 . . . A 41 LEU HD13 . 25439 1 411 . 1 1 43 43 LEU HD21 H 1 0.951 0.020 . 2 . . . A 41 LEU HD21 . 25439 1 412 . 1 1 43 43 LEU HD22 H 1 0.951 0.020 . 2 . . . A 41 LEU HD22 . 25439 1 413 . 1 1 43 43 LEU HD23 H 1 0.951 0.020 . 2 . . . A 41 LEU HD23 . 25439 1 414 . 1 1 43 43 LEU CA C 13 55.335 0.100 . 1 . . . A 41 LEU CA . 25439 1 415 . 1 1 43 43 LEU CB C 13 42.212 0.100 . 1 . . . A 41 LEU CB . 25439 1 416 . 1 1 43 43 LEU CG C 13 27.232 0.100 . 1 . . . A 41 LEU CG . 25439 1 417 . 1 1 43 43 LEU CD1 C 13 23.457 0.100 . 2 . . . A 41 LEU CD1 . 25439 1 418 . 1 1 43 43 LEU CD2 C 13 25.041 0.100 . 2 . . . A 41 LEU CD2 . 25439 1 419 . 1 1 43 43 LEU N N 15 121.281 0.100 . 1 . . . A 41 LEU N . 25439 1 420 . 1 1 44 44 ALA H H 1 8.111 0.020 . 1 . . . A 42 ALA H . 25439 1 421 . 1 1 44 44 ALA HA H 1 4.274 0.020 . 1 . . . A 42 ALA HA . 25439 1 422 . 1 1 44 44 ALA HB1 H 1 1.411 0.020 . 1 . . . A 42 ALA HB1 . 25439 1 423 . 1 1 44 44 ALA HB2 H 1 1.411 0.020 . 1 . . . A 42 ALA HB2 . 25439 1 424 . 1 1 44 44 ALA HB3 H 1 1.411 0.020 . 1 . . . A 42 ALA HB3 . 25439 1 425 . 1 1 44 44 ALA CA C 13 52.851 0.100 . 1 . . . A 42 ALA CA . 25439 1 426 . 1 1 44 44 ALA CB C 13 19.135 0.100 . 1 . . . A 42 ALA CB . 25439 1 427 . 1 1 44 44 ALA N N 15 123.964 0.100 . 1 . . . A 42 ALA N . 25439 1 428 . 1 1 45 45 ALA H H 1 8.101 0.020 . 1 . . . A 43 ALA H . 25439 1 429 . 1 1 45 45 ALA HA H 1 4.297 0.020 . 1 . . . A 43 ALA HA . 25439 1 430 . 1 1 45 45 ALA HB1 H 1 1.409 0.020 . 1 . . . A 43 ALA HB1 . 25439 1 431 . 1 1 45 45 ALA HB2 H 1 1.409 0.020 . 1 . . . A 43 ALA HB2 . 25439 1 432 . 1 1 45 45 ALA HB3 H 1 1.409 0.020 . 1 . . . A 43 ALA HB3 . 25439 1 433 . 1 1 45 45 ALA CA C 13 52.727 0.100 . 1 . . . A 43 ALA CA . 25439 1 434 . 1 1 45 45 ALA CB C 13 19.318 0.100 . 1 . . . A 43 ALA CB . 25439 1 435 . 1 1 45 45 ALA N N 15 122.146 0.100 . 1 . . . A 43 ALA N . 25439 1 436 . 1 1 46 46 LYS H H 1 8.198 0.020 . 1 . . . A 44 LYS H . 25439 1 437 . 1 1 46 46 LYS HA H 1 4.349 0.020 . 1 . . . A 44 LYS HA . 25439 1 438 . 1 1 46 46 LYS HB2 H 1 1.764 0.020 . 2 . . . A 44 LYS HB2 . 25439 1 439 . 1 1 46 46 LYS HB3 H 1 1.846 0.020 . 2 . . . A 44 LYS HB3 . 25439 1 440 . 1 1 46 46 LYS CA C 13 56.267 0.100 . 1 . . . A 44 LYS CA . 25439 1 441 . 1 1 46 46 LYS CB C 13 32.825 0.100 . 1 . . . A 44 LYS CB . 25439 1 442 . 1 1 46 46 LYS N N 15 119.454 0.100 . 1 . . . A 44 LYS N . 25439 1 443 . 1 1 47 47 SER H H 1 8.251 0.020 . 1 . . . A 45 SER H . 25439 1 444 . 1 1 47 47 SER HA H 1 4.368 0.020 . 1 . . . A 45 SER HA . 25439 1 445 . 1 1 47 47 SER HB2 H 1 3.873 0.020 . 2 . . . A 45 SER HB2 . 25439 1 446 . 1 1 47 47 SER HB3 H 1 3.977 0.020 . 2 . . . A 45 SER HB3 . 25439 1 447 . 1 1 47 47 SER CA C 13 58.477 0.100 . 1 . . . A 45 SER CA . 25439 1 448 . 1 1 47 47 SER CB C 13 64.063 0.100 . 1 . . . A 45 SER CB . 25439 1 449 . 1 1 47 47 SER N N 15 116.660 0.100 . 1 . . . A 45 SER N . 25439 1 450 . 1 1 48 48 ASN H H 1 8.498 0.020 . 1 . . . A 46 ASN H . 25439 1 451 . 1 1 48 48 ASN HA H 1 4.361 0.020 . 1 . . . A 46 ASN HA . 25439 1 452 . 1 1 48 48 ASN HB2 H 1 2.254 0.020 . 2 . . . A 46 ASN HB2 . 25439 1 453 . 1 1 48 48 ASN HB3 H 1 2.306 0.020 . 2 . . . A 46 ASN HB3 . 25439 1 454 . 1 1 48 48 ASN HD21 H 1 6.956 0.020 . 2 . . . A 46 ASN HD21 . 25439 1 455 . 1 1 48 48 ASN HD22 H 1 7.391 0.020 . 2 . . . A 46 ASN HD22 . 25439 1 456 . 1 1 48 48 ASN CA C 13 54.657 0.100 . 1 . . . A 46 ASN CA . 25439 1 457 . 1 1 48 48 ASN CB C 13 37.649 0.100 . 1 . . . A 46 ASN CB . 25439 1 458 . 1 1 48 48 ASN N N 15 120.516 0.100 . 1 . . . A 46 ASN N . 25439 1 459 . 1 1 48 48 ASN ND2 N 15 112.581 0.100 . 1 . . . A 46 ASN ND2 . 25439 1 460 . 1 1 49 49 GLU H H 1 8.016 0.020 . 1 . . . A 47 GLU H . 25439 1 461 . 1 1 49 49 GLU HA H 1 3.350 0.020 . 1 . . . A 47 GLU HA . 25439 1 462 . 1 1 49 49 GLU HB2 H 1 1.803 0.020 . 1 . . . A 47 GLU HB2 . 25439 1 463 . 1 1 49 49 GLU HB3 H 1 1.837 0.020 . 1 . . . A 47 GLU HB3 . 25439 1 464 . 1 1 49 49 GLU HG2 H 1 2.028 0.020 . 1 . . . A 47 GLU HG2 . 25439 1 465 . 1 1 49 49 GLU HG3 H 1 2.028 0.020 . 1 . . . A 47 GLU HG3 . 25439 1 466 . 1 1 49 49 GLU CA C 13 59.213 0.100 . 1 . . . A 47 GLU CA . 25439 1 467 . 1 1 49 49 GLU CB C 13 28.998 0.100 . 1 . . . A 47 GLU CB . 25439 1 468 . 1 1 49 49 GLU CG C 13 36.614 0.100 . 1 . . . A 47 GLU CG . 25439 1 469 . 1 1 49 49 GLU N N 15 117.964 0.100 . 1 . . . A 47 GLU N . 25439 1 470 . 1 1 50 50 GLN H H 1 7.892 0.020 . 1 . . . A 48 GLN H . 25439 1 471 . 1 1 50 50 GLN HA H 1 4.250 0.020 . 1 . . . A 48 GLN HA . 25439 1 472 . 1 1 50 50 GLN HB2 H 1 2.125 0.020 . 1 . . . A 48 GLN HB2 . 25439 1 473 . 1 1 50 50 GLN HB3 H 1 2.125 0.020 . 1 . . . A 48 GLN HB3 . 25439 1 474 . 1 1 50 50 GLN HG2 H 1 2.373 0.020 . 2 . . . A 48 GLN HG2 . 25439 1 475 . 1 1 50 50 GLN HG3 H 1 2.520 0.020 . 2 . . . A 48 GLN HG3 . 25439 1 476 . 1 1 50 50 GLN HE21 H 1 6.896 0.020 . 2 . . . A 48 GLN HE21 . 25439 1 477 . 1 1 50 50 GLN HE22 H 1 7.682 0.020 . 2 . . . A 48 GLN HE22 . 25439 1 478 . 1 1 50 50 GLN CA C 13 58.529 0.100 . 1 . . . A 48 GLN CA . 25439 1 479 . 1 1 50 50 GLN CB C 13 28.902 0.100 . 1 . . . A 48 GLN CB . 25439 1 480 . 1 1 50 50 GLN CG C 13 34.370 0.100 . 1 . . . A 48 GLN CG . 25439 1 481 . 1 1 50 50 GLN N N 15 119.468 0.100 . 1 . . . A 48 GLN N . 25439 1 482 . 1 1 50 50 GLN NE2 N 15 112.178 0.100 . 1 . . . A 48 GLN NE2 . 25439 1 483 . 1 1 51 51 LEU H H 1 7.699 0.020 . 1 . . . A 49 LEU H . 25439 1 484 . 1 1 51 51 LEU HA H 1 4.232 0.020 . 1 . . . A 49 LEU HA . 25439 1 485 . 1 1 51 51 LEU HB2 H 1 1.806 0.020 . 1 . . . A 49 LEU HB2 . 25439 1 486 . 1 1 51 51 LEU HB3 H 1 1.834 0.020 . 1 . . . A 49 LEU HB3 . 25439 1 487 . 1 1 51 51 LEU HG H 1 1.783 0.020 . 1 . . . A 49 LEU HG . 25439 1 488 . 1 1 51 51 LEU HD11 H 1 1.033 0.020 . 2 . . . A 49 LEU HD11 . 25439 1 489 . 1 1 51 51 LEU HD12 H 1 1.033 0.020 . 2 . . . A 49 LEU HD12 . 25439 1 490 . 1 1 51 51 LEU HD13 H 1 1.033 0.020 . 2 . . . A 49 LEU HD13 . 25439 1 491 . 1 1 51 51 LEU HD21 H 1 1.042 0.020 . 2 . . . A 49 LEU HD21 . 25439 1 492 . 1 1 51 51 LEU HD22 H 1 1.042 0.020 . 2 . . . A 49 LEU HD22 . 25439 1 493 . 1 1 51 51 LEU HD23 H 1 1.042 0.020 . 2 . . . A 49 LEU HD23 . 25439 1 494 . 1 1 51 51 LEU CA C 13 57.479 0.100 . 1 . . . A 49 LEU CA . 25439 1 495 . 1 1 51 51 LEU CB C 13 41.391 0.100 . 1 . . . A 49 LEU CB . 25439 1 496 . 1 1 51 51 LEU CG C 13 27.238 0.100 . 1 . . . A 49 LEU CG . 25439 1 497 . 1 1 51 51 LEU CD1 C 13 24.396 0.100 . 2 . . . A 49 LEU CD1 . 25439 1 498 . 1 1 51 51 LEU CD2 C 13 24.517 0.100 . 2 . . . A 49 LEU CD2 . 25439 1 499 . 1 1 51 51 LEU N N 15 120.145 0.100 . 1 . . . A 49 LEU N . 25439 1 500 . 1 1 52 52 TRP H H 1 8.385 0.020 . 1 . . . A 50 TRP H . 25439 1 501 . 1 1 52 52 TRP HA H 1 4.520 0.020 . 1 . . . A 50 TRP HA . 25439 1 502 . 1 1 52 52 TRP HB2 H 1 3.160 0.020 . 1 . . . A 50 TRP HB2 . 25439 1 503 . 1 1 52 52 TRP HB3 H 1 3.423 0.020 . 1 . . . A 50 TRP HB3 . 25439 1 504 . 1 1 52 52 TRP HD1 H 1 6.689 0.020 . 1 . . . A 50 TRP HD1 . 25439 1 505 . 1 1 52 52 TRP HE1 H 1 9.148 0.020 . 1 . . . A 50 TRP HE1 . 25439 1 506 . 1 1 52 52 TRP HE3 H 1 7.548 0.020 . 1 . . . A 50 TRP HE3 . 25439 1 507 . 1 1 52 52 TRP HZ2 H 1 7.343 0.020 . 1 . . . A 50 TRP HZ2 . 25439 1 508 . 1 1 52 52 TRP HZ3 H 1 7.004 0.020 . 1 . . . A 50 TRP HZ3 . 25439 1 509 . 1 1 52 52 TRP HH2 H 1 7.011 0.020 . 1 . . . A 50 TRP HH2 . 25439 1 510 . 1 1 52 52 TRP CA C 13 58.353 0.100 . 1 . . . A 50 TRP CA . 25439 1 511 . 1 1 52 52 TRP CB C 13 28.880 0.100 . 1 . . . A 50 TRP CB . 25439 1 512 . 1 1 52 52 TRP CD1 C 13 123.011 0.100 . 1 . . . A 50 TRP CD1 . 25439 1 513 . 1 1 52 52 TRP CE3 C 13 120.491 0.100 . 1 . . . A 50 TRP CE3 . 25439 1 514 . 1 1 52 52 TRP CZ2 C 13 115.784 0.100 . 1 . . . A 50 TRP CZ2 . 25439 1 515 . 1 1 52 52 TRP CZ3 C 13 121.891 0.100 . 1 . . . A 50 TRP CZ3 . 25439 1 516 . 1 1 52 52 TRP CH2 C 13 124.308 0.100 . 1 . . . A 50 TRP CH2 . 25439 1 517 . 1 1 52 52 TRP N N 15 119.596 0.100 . 1 . . . A 50 TRP N . 25439 1 518 . 1 1 52 52 TRP NE1 N 15 126.465 0.100 . 1 . . . A 50 TRP NE1 . 25439 1 519 . 1 1 53 53 GLU H H 1 8.223 0.020 . 1 . . . A 51 GLU H . 25439 1 520 . 1 1 53 53 GLU HA H 1 4.145 0.020 . 1 . . . A 51 GLU HA . 25439 1 521 . 1 1 53 53 GLU HB2 H 1 2.223 0.020 . 2 . . . A 51 GLU HB2 . 25439 1 522 . 1 1 53 53 GLU HB3 H 1 2.302 0.020 . 2 . . . A 51 GLU HB3 . 25439 1 523 . 1 1 53 53 GLU HG2 H 1 2.509 0.020 . 1 . . . A 51 GLU HG2 . 25439 1 524 . 1 1 53 53 GLU HG3 H 1 2.509 0.020 . 1 . . . A 51 GLU HG3 . 25439 1 525 . 1 1 53 53 GLU CA C 13 60.035 0.100 . 1 . . . A 51 GLU CA . 25439 1 526 . 1 1 53 53 GLU CB C 13 29.675 0.100 . 1 . . . A 51 GLU CB . 25439 1 527 . 1 1 53 53 GLU CG C 13 36.235 0.100 . 1 . . . A 51 GLU CG . 25439 1 528 . 1 1 53 53 GLU N N 15 119.362 0.100 . 1 . . . A 51 GLU N . 25439 1 529 . 1 1 54 54 ILE H H 1 7.801 0.020 . 1 . . . A 52 ILE H . 25439 1 530 . 1 1 54 54 ILE HA H 1 3.673 0.020 . 1 . . . A 52 ILE HA . 25439 1 531 . 1 1 54 54 ILE HB H 1 2.127 0.020 . 1 . . . A 52 ILE HB . 25439 1 532 . 1 1 54 54 ILE HG12 H 1 1.876 0.020 . 2 . . . A 52 ILE HG12 . 25439 1 533 . 1 1 54 54 ILE HG13 H 1 1.078 0.020 . 2 . . . A 52 ILE HG13 . 25439 1 534 . 1 1 54 54 ILE HG21 H 1 0.990 0.020 . 1 . . . A 52 ILE HG21 . 25439 1 535 . 1 1 54 54 ILE HG22 H 1 0.990 0.020 . 1 . . . A 52 ILE HG22 . 25439 1 536 . 1 1 54 54 ILE HG23 H 1 0.990 0.020 . 1 . . . A 52 ILE HG23 . 25439 1 537 . 1 1 54 54 ILE HD11 H 1 0.951 0.020 . 1 . . . A 52 ILE HD11 . 25439 1 538 . 1 1 54 54 ILE HD12 H 1 0.951 0.020 . 1 . . . A 52 ILE HD12 . 25439 1 539 . 1 1 54 54 ILE HD13 H 1 0.951 0.020 . 1 . . . A 52 ILE HD13 . 25439 1 540 . 1 1 54 54 ILE CA C 13 65.511 0.100 . 1 . . . A 52 ILE CA . 25439 1 541 . 1 1 54 54 ILE CB C 13 38.532 0.100 . 1 . . . A 52 ILE CB . 25439 1 542 . 1 1 54 54 ILE CG1 C 13 30.047 0.100 . 1 . . . A 52 ILE CG1 . 25439 1 543 . 1 1 54 54 ILE CG2 C 13 17.453 0.100 . 1 . . . A 52 ILE CG2 . 25439 1 544 . 1 1 54 54 ILE CD1 C 13 14.129 0.100 . 1 . . . A 52 ILE CD1 . 25439 1 545 . 1 1 54 54 ILE N N 15 119.018 0.100 . 1 . . . A 52 ILE N . 25439 1 546 . 1 1 55 55 MET H H 1 8.411 0.020 . 1 . . . A 53 MET H . 25439 1 547 . 1 1 55 55 MET HA H 1 4.452 0.020 . 1 . . . A 53 MET HA . 25439 1 548 . 1 1 55 55 MET HB2 H 1 2.233 0.020 . 1 . . . A 53 MET HB2 . 25439 1 549 . 1 1 55 55 MET HB3 H 1 2.494 0.020 . 1 . . . A 53 MET HB3 . 25439 1 550 . 1 1 55 55 MET HG2 H 1 2.964 0.020 . 2 . . . A 53 MET HG2 . 25439 1 551 . 1 1 55 55 MET HG3 H 1 3.026 0.020 . 2 . . . A 53 MET HG3 . 25439 1 552 . 1 1 55 55 MET HE1 H 1 2.312 0.020 . 1 . . . A 53 MET HE1 . 25439 1 553 . 1 1 55 55 MET HE2 H 1 2.312 0.020 . 1 . . . A 53 MET HE2 . 25439 1 554 . 1 1 55 55 MET HE3 H 1 2.312 0.020 . 1 . . . A 53 MET HE3 . 25439 1 555 . 1 1 55 55 MET CA C 13 58.216 0.100 . 1 . . . A 53 MET CA . 25439 1 556 . 1 1 55 55 MET CB C 13 31.838 0.100 . 1 . . . A 53 MET CB . 25439 1 557 . 1 1 55 55 MET CG C 13 32.269 0.100 . 1 . . . A 53 MET CG . 25439 1 558 . 1 1 55 55 MET CE C 13 17.656 0.100 . 1 . . . A 53 MET CE . 25439 1 559 . 1 1 55 55 MET N N 15 118.133 0.100 . 1 . . . A 53 MET N . 25439 1 560 . 1 1 56 56 GLN H H 1 8.860 0.020 . 1 . . . A 54 GLN H . 25439 1 561 . 1 1 56 56 GLN HA H 1 4.333 0.020 . 1 . . . A 54 GLN HA . 25439 1 562 . 1 1 56 56 GLN HB2 H 1 2.306 0.020 . 1 . . . A 54 GLN HB2 . 25439 1 563 . 1 1 56 56 GLN HB3 H 1 2.335 0.020 . 1 . . . A 54 GLN HB3 . 25439 1 564 . 1 1 56 56 GLN HG2 H 1 2.644 0.020 . 2 . . . A 54 GLN HG2 . 25439 1 565 . 1 1 56 56 GLN HG3 H 1 2.713 0.020 . 2 . . . A 54 GLN HG3 . 25439 1 566 . 1 1 56 56 GLN HE21 H 1 6.745 0.020 . 2 . . . A 54 GLN HE21 . 25439 1 567 . 1 1 56 56 GLN HE22 H 1 7.602 0.020 . 2 . . . A 54 GLN HE22 . 25439 1 568 . 1 1 56 56 GLN CA C 13 59.004 0.100 . 1 . . . A 54 GLN CA . 25439 1 569 . 1 1 56 56 GLN CB C 13 27.824 0.100 . 1 . . . A 54 GLN CB . 25439 1 570 . 1 1 56 56 GLN CG C 13 34.239 0.100 . 1 . . . A 54 GLN CG . 25439 1 571 . 1 1 56 56 GLN N N 15 120.855 0.100 . 1 . . . A 54 GLN N . 25439 1 572 . 1 1 56 56 GLN NE2 N 15 110.893 0.100 . 1 . . . A 54 GLN NE2 . 25439 1 573 . 1 1 57 57 LEU H H 1 8.298 0.020 . 1 . . . A 55 LEU H . 25439 1 574 . 1 1 57 57 LEU HA H 1 4.302 0.020 . 1 . . . A 55 LEU HA . 25439 1 575 . 1 1 57 57 LEU HB2 H 1 2.256 0.020 . 1 . . . A 55 LEU HB2 . 25439 1 576 . 1 1 57 57 LEU HB3 H 1 1.372 0.020 . 1 . . . A 55 LEU HB3 . 25439 1 577 . 1 1 57 57 LEU HG H 1 2.032 0.020 . 1 . . . A 55 LEU HG . 25439 1 578 . 1 1 57 57 LEU HD11 H 1 1.145 0.020 . 2 . . . A 55 LEU HD11 . 25439 1 579 . 1 1 57 57 LEU HD12 H 1 1.145 0.020 . 2 . . . A 55 LEU HD12 . 25439 1 580 . 1 1 57 57 LEU HD13 H 1 1.145 0.020 . 2 . . . A 55 LEU HD13 . 25439 1 581 . 1 1 57 57 LEU HD21 H 1 0.954 0.020 . 2 . . . A 55 LEU HD21 . 25439 1 582 . 1 1 57 57 LEU HD22 H 1 0.954 0.020 . 2 . . . A 55 LEU HD22 . 25439 1 583 . 1 1 57 57 LEU HD23 H 1 0.954 0.020 . 2 . . . A 55 LEU HD23 . 25439 1 584 . 1 1 57 57 LEU CA C 13 58.685 0.100 . 1 . . . A 55 LEU CA . 25439 1 585 . 1 1 57 57 LEU CB C 13 42.695 0.100 . 1 . . . A 55 LEU CB . 25439 1 586 . 1 1 57 57 LEU CG C 13 27.839 0.100 . 1 . . . A 55 LEU CG . 25439 1 587 . 1 1 57 57 LEU CD1 C 13 23.672 0.100 . 2 . . . A 55 LEU CD1 . 25439 1 588 . 1 1 57 57 LEU CD2 C 13 25.908 0.100 . 2 . . . A 55 LEU CD2 . 25439 1 589 . 1 1 57 57 LEU N N 15 122.788 0.100 . 1 . . . A 55 LEU N . 25439 1 590 . 1 1 58 58 HIS H H 1 8.416 0.020 . 1 . . . A 56 HIS H . 25439 1 591 . 1 1 58 58 HIS HA H 1 4.317 0.020 . 1 . . . A 56 HIS HA . 25439 1 592 . 1 1 58 58 HIS HB2 H 1 3.284 0.020 . 1 . . . A 56 HIS HB2 . 25439 1 593 . 1 1 58 58 HIS HB3 H 1 3.399 0.020 . 1 . . . A 56 HIS HB3 . 25439 1 594 . 1 1 58 58 HIS HD2 H 1 7.068 0.020 . 1 . . . A 56 HIS HD2 . 25439 1 595 . 1 1 58 58 HIS HE1 H 1 7.750 0.020 . 1 . . . A 56 HIS HE1 . 25439 1 596 . 1 1 58 58 HIS CA C 13 60.732 0.100 . 1 . . . A 56 HIS CA . 25439 1 597 . 1 1 58 58 HIS CB C 13 30.530 0.100 . 1 . . . A 56 HIS CB . 25439 1 598 . 1 1 58 58 HIS CD2 C 13 119.245 0.100 . 1 . . . A 56 HIS CD2 . 25439 1 599 . 1 1 58 58 HIS CE1 C 13 138.825 0.100 . 1 . . . A 56 HIS CE1 . 25439 1 600 . 1 1 58 58 HIS N N 15 118.426 0.100 . 1 . . . A 56 HIS N . 25439 1 601 . 1 1 59 59 HIS H H 1 8.608 0.020 . 1 . . . A 57 HIS H . 25439 1 602 . 1 1 59 59 HIS HA H 1 4.318 0.020 . 1 . . . A 57 HIS HA . 25439 1 603 . 1 1 59 59 HIS HB2 H 1 3.916 0.020 . 1 . . . A 57 HIS HB2 . 25439 1 604 . 1 1 59 59 HIS HB3 H 1 3.661 0.020 . 1 . . . A 57 HIS HB3 . 25439 1 605 . 1 1 59 59 HIS HD2 H 1 6.816 0.020 . 1 . . . A 57 HIS HD2 . 25439 1 606 . 1 1 59 59 HIS HE1 H 1 7.911 0.020 . 1 . . . A 57 HIS HE1 . 25439 1 607 . 1 1 59 59 HIS CA C 13 60.739 0.100 . 1 . . . A 57 HIS CA . 25439 1 608 . 1 1 59 59 HIS CB C 13 28.726 0.100 . 1 . . . A 57 HIS CB . 25439 1 609 . 1 1 59 59 HIS CD2 C 13 127.031 0.100 . 1 . . . A 57 HIS CD2 . 25439 1 610 . 1 1 59 59 HIS CE1 C 13 138.672 0.100 . 1 . . . A 57 HIS CE1 . 25439 1 611 . 1 1 59 59 HIS N N 15 121.197 0.100 . 1 . . . A 57 HIS N . 25439 1 612 . 1 1 60 60 GLN H H 1 9.206 0.020 . 1 . . . A 58 GLN H . 25439 1 613 . 1 1 60 60 GLN HA H 1 4.202 0.020 . 1 . . . A 58 GLN HA . 25439 1 614 . 1 1 60 60 GLN HB2 H 1 2.450 0.020 . 1 . . . A 58 GLN HB2 . 25439 1 615 . 1 1 60 60 GLN HB3 H 1 2.450 0.020 . 1 . . . A 58 GLN HB3 . 25439 1 616 . 1 1 60 60 GLN HG2 H 1 2.762 0.020 . 2 . . . A 58 GLN HG2 . 25439 1 617 . 1 1 60 60 GLN HG3 H 1 2.918 0.020 . 2 . . . A 58 GLN HG3 . 25439 1 618 . 1 1 60 60 GLN HE21 H 1 6.994 0.020 . 2 . . . A 58 GLN HE21 . 25439 1 619 . 1 1 60 60 GLN HE22 H 1 7.542 0.020 . 2 . . . A 58 GLN HE22 . 25439 1 620 . 1 1 60 60 GLN CA C 13 59.507 0.100 . 1 . . . A 58 GLN CA . 25439 1 621 . 1 1 60 60 GLN CB C 13 29.111 0.100 . 1 . . . A 58 GLN CB . 25439 1 622 . 1 1 60 60 GLN CG C 13 34.291 0.100 . 1 . . . A 58 GLN CG . 25439 1 623 . 1 1 60 60 GLN N N 15 118.739 0.100 . 1 . . . A 58 GLN N . 25439 1 624 . 1 1 60 60 GLN NE2 N 15 111.256 0.100 . 1 . . . A 58 GLN NE2 . 25439 1 625 . 1 1 61 61 ARG H H 1 8.623 0.020 . 1 . . . A 59 ARG H . 25439 1 626 . 1 1 61 61 ARG HA H 1 3.437 0.020 . 1 . . . A 59 ARG HA . 25439 1 627 . 1 1 61 61 ARG CA C 13 60.361 0.100 . 1 . . . A 59 ARG CA . 25439 1 628 . 1 1 61 61 ARG N N 15 122.498 0.100 . 1 . . . A 59 ARG N . 25439 1 629 . 1 1 62 62 SER H H 1 7.993 0.020 . 1 . . . A 60 SER H . 25439 1 630 . 1 1 62 62 SER HA H 1 4.515 0.020 . 1 . . . A 60 SER HA . 25439 1 631 . 1 1 62 62 SER HB2 H 1 3.911 0.020 . 1 . . . A 60 SER HB2 . 25439 1 632 . 1 1 62 62 SER HB3 H 1 3.959 0.020 . 1 . . . A 60 SER HB3 . 25439 1 633 . 1 1 62 62 SER CA C 13 64.832 0.100 . 1 . . . A 60 SER CA . 25439 1 634 . 1 1 62 62 SER CB C 13 63.583 0.100 . 1 . . . A 60 SER CB . 25439 1 635 . 1 1 62 62 SER N N 15 114.930 0.100 . 1 . . . A 60 SER N . 25439 1 636 . 1 1 63 63 ARG H H 1 9.569 0.020 . 1 . . . A 61 ARG H . 25439 1 637 . 1 1 63 63 ARG HA H 1 4.204 0.020 . 1 . . . A 61 ARG HA . 25439 1 638 . 1 1 63 63 ARG HB2 H 1 1.790 0.020 . 1 . . . A 61 ARG HB2 . 25439 1 639 . 1 1 63 63 ARG HB3 H 1 2.114 0.020 . 1 . . . A 61 ARG HB3 . 25439 1 640 . 1 1 63 63 ARG CA C 13 58.852 0.100 . 1 . . . A 61 ARG CA . 25439 1 641 . 1 1 63 63 ARG CB C 13 29.077 0.100 . 1 . . . A 61 ARG CB . 25439 1 642 . 1 1 63 63 ARG N N 15 124.417 0.100 . 1 . . . A 61 ARG N . 25439 1 643 . 1 1 64 64 TYR H H 1 8.622 0.020 . 1 . . . A 62 TYR H . 25439 1 644 . 1 1 64 64 TYR HA H 1 4.676 0.020 . 1 . . . A 62 TYR HA . 25439 1 645 . 1 1 64 64 TYR HB2 H 1 3.676 0.020 . 1 . . . A 62 TYR HB2 . 25439 1 646 . 1 1 64 64 TYR HB3 H 1 3.540 0.020 . 1 . . . A 62 TYR HB3 . 25439 1 647 . 1 1 64 64 TYR HD1 H 1 7.294 0.020 . 1 . . . A 62 TYR HD1 . 25439 1 648 . 1 1 64 64 TYR HD2 H 1 7.294 0.020 . 1 . . . A 62 TYR HD2 . 25439 1 649 . 1 1 64 64 TYR HE1 H 1 6.813 0.020 . 1 . . . A 62 TYR HE1 . 25439 1 650 . 1 1 64 64 TYR HE2 H 1 6.813 0.020 . 1 . . . A 62 TYR HE2 . 25439 1 651 . 1 1 64 64 TYR CA C 13 61.006 0.100 . 1 . . . A 62 TYR CA . 25439 1 652 . 1 1 64 64 TYR CB C 13 38.392 0.100 . 1 . . . A 62 TYR CB . 25439 1 653 . 1 1 64 64 TYR CD1 C 13 132.883 0.100 . 1 . . . A 62 TYR CD1 . 25439 1 654 . 1 1 64 64 TYR CD2 C 13 132.883 0.100 . 1 . . . A 62 TYR CD2 . 25439 1 655 . 1 1 64 64 TYR CE1 C 13 118.380 0.100 . 1 . . . A 62 TYR CE1 . 25439 1 656 . 1 1 64 64 TYR CE2 C 13 118.380 0.100 . 1 . . . A 62 TYR CE2 . 25439 1 657 . 1 1 64 64 TYR N N 15 124.484 0.100 . 1 . . . A 62 TYR N . 25439 1 658 . 1 1 65 65 ILE H H 1 7.588 0.020 . 1 . . . A 63 ILE H . 25439 1 659 . 1 1 65 65 ILE HA H 1 3.492 0.020 . 1 . . . A 63 ILE HA . 25439 1 660 . 1 1 65 65 ILE HB H 1 2.089 0.020 . 1 . . . A 63 ILE HB . 25439 1 661 . 1 1 65 65 ILE HG12 H 1 1.295 0.020 . 2 . . . A 63 ILE HG12 . 25439 1 662 . 1 1 65 65 ILE HG13 H 1 2.106 0.020 . 2 . . . A 63 ILE HG13 . 25439 1 663 . 1 1 65 65 ILE HG21 H 1 1.064 0.020 . 1 . . . A 63 ILE HG21 . 25439 1 664 . 1 1 65 65 ILE HG22 H 1 1.064 0.020 . 1 . . . A 63 ILE HG22 . 25439 1 665 . 1 1 65 65 ILE HG23 H 1 1.064 0.020 . 1 . . . A 63 ILE HG23 . 25439 1 666 . 1 1 65 65 ILE HD11 H 1 1.035 0.020 . 1 . . . A 63 ILE HD11 . 25439 1 667 . 1 1 65 65 ILE HD12 H 1 1.035 0.020 . 1 . . . A 63 ILE HD12 . 25439 1 668 . 1 1 65 65 ILE HD13 H 1 1.035 0.020 . 1 . . . A 63 ILE HD13 . 25439 1 669 . 1 1 65 65 ILE CA C 13 65.693 0.100 . 1 . . . A 63 ILE CA . 25439 1 670 . 1 1 65 65 ILE CB C 13 38.023 0.100 . 1 . . . A 63 ILE CB . 25439 1 671 . 1 1 65 65 ILE CG1 C 13 30.181 0.100 . 1 . . . A 63 ILE CG1 . 25439 1 672 . 1 1 65 65 ILE CG2 C 13 17.799 0.100 . 1 . . . A 63 ILE CG2 . 25439 1 673 . 1 1 65 65 ILE CD1 C 13 14.970 0.100 . 1 . . . A 63 ILE CD1 . 25439 1 674 . 1 1 65 65 ILE N N 15 119.789 0.100 . 1 . . . A 63 ILE N . 25439 1 675 . 1 1 66 66 TYR H H 1 9.166 0.020 . 1 . . . A 64 TYR H . 25439 1 676 . 1 1 66 66 TYR HA H 1 4.577 0.020 . 1 . . . A 64 TYR HA . 25439 1 677 . 1 1 66 66 TYR HB2 H 1 3.631 0.020 . 1 . . . A 64 TYR HB2 . 25439 1 678 . 1 1 66 66 TYR HB3 H 1 3.681 0.020 . 1 . . . A 64 TYR HB3 . 25439 1 679 . 1 1 66 66 TYR HD1 H 1 7.265 0.020 . 1 . . . A 64 TYR HD1 . 25439 1 680 . 1 1 66 66 TYR HD2 H 1 7.265 0.020 . 1 . . . A 64 TYR HD2 . 25439 1 681 . 1 1 66 66 TYR HE1 H 1 6.537 0.020 . 1 . . . A 64 TYR HE1 . 25439 1 682 . 1 1 66 66 TYR HE2 H 1 6.537 0.020 . 1 . . . A 64 TYR HE2 . 25439 1 683 . 1 1 66 66 TYR CA C 13 61.759 0.100 . 1 . . . A 64 TYR CA . 25439 1 684 . 1 1 66 66 TYR CB C 13 39.772 0.100 . 1 . . . A 64 TYR CB . 25439 1 685 . 1 1 66 66 TYR CD1 C 13 133.545 0.100 . 1 . . . A 64 TYR CD1 . 25439 1 686 . 1 1 66 66 TYR CD2 C 13 133.545 0.100 . 1 . . . A 64 TYR CD2 . 25439 1 687 . 1 1 66 66 TYR CE1 C 13 118.100 0.100 . 1 . . . A 64 TYR CE1 . 25439 1 688 . 1 1 66 66 TYR CE2 C 13 118.100 0.100 . 1 . . . A 64 TYR CE2 . 25439 1 689 . 1 1 66 66 TYR N N 15 120.485 0.100 . 1 . . . A 64 TYR N . 25439 1 690 . 1 1 67 67 THR H H 1 8.987 0.020 . 1 . . . A 65 THR H . 25439 1 691 . 1 1 67 67 THR HA H 1 3.562 0.020 . 1 . . . A 65 THR HA . 25439 1 692 . 1 1 67 67 THR HB H 1 4.537 0.020 . 1 . . . A 65 THR HB . 25439 1 693 . 1 1 67 67 THR HG21 H 1 1.275 0.020 . 1 . . . A 65 THR HG21 . 25439 1 694 . 1 1 67 67 THR HG22 H 1 1.275 0.020 . 1 . . . A 65 THR HG22 . 25439 1 695 . 1 1 67 67 THR HG23 H 1 1.275 0.020 . 1 . . . A 65 THR HG23 . 25439 1 696 . 1 1 67 67 THR CA C 13 67.016 0.100 . 1 . . . A 65 THR CA . 25439 1 697 . 1 1 67 67 THR CB C 13 68.711 0.100 . 1 . . . A 65 THR CB . 25439 1 698 . 1 1 67 67 THR CG2 C 13 21.782 0.100 . 1 . . . A 65 THR CG2 . 25439 1 699 . 1 1 67 67 THR N N 15 117.072 0.100 . 1 . . . A 65 THR N . 25439 1 700 . 1 1 68 68 LEU H H 1 8.286 0.020 . 1 . . . A 66 LEU H . 25439 1 701 . 1 1 68 68 LEU HA H 1 3.782 0.020 . 1 . . . A 66 LEU HA . 25439 1 702 . 1 1 68 68 LEU HB2 H 1 1.215 0.020 . 1 . . . A 66 LEU HB2 . 25439 1 703 . 1 1 68 68 LEU HB3 H 1 2.026 0.020 . 1 . . . A 66 LEU HB3 . 25439 1 704 . 1 1 68 68 LEU HG H 1 1.421 0.020 . 1 . . . A 66 LEU HG . 25439 1 705 . 1 1 68 68 LEU HD11 H 1 0.717 0.020 . 2 . . . A 66 LEU HD11 . 25439 1 706 . 1 1 68 68 LEU HD12 H 1 0.717 0.020 . 2 . . . A 66 LEU HD12 . 25439 1 707 . 1 1 68 68 LEU HD13 H 1 0.717 0.020 . 2 . . . A 66 LEU HD13 . 25439 1 708 . 1 1 68 68 LEU HD21 H 1 0.537 0.020 . 2 . . . A 66 LEU HD21 . 25439 1 709 . 1 1 68 68 LEU HD22 H 1 0.537 0.020 . 2 . . . A 66 LEU HD22 . 25439 1 710 . 1 1 68 68 LEU HD23 H 1 0.537 0.020 . 2 . . . A 66 LEU HD23 . 25439 1 711 . 1 1 68 68 LEU CA C 13 58.476 0.100 . 1 . . . A 66 LEU CA . 25439 1 712 . 1 1 68 68 LEU CB C 13 43.183 0.100 . 1 . . . A 66 LEU CB . 25439 1 713 . 1 1 68 68 LEU CG C 13 26.064 0.100 . 1 . . . A 66 LEU CG . 25439 1 714 . 1 1 68 68 LEU CD1 C 13 22.864 0.100 . 2 . . . A 66 LEU CD1 . 25439 1 715 . 1 1 68 68 LEU CD2 C 13 26.195 0.100 . 2 . . . A 66 LEU CD2 . 25439 1 716 . 1 1 68 68 LEU N N 15 122.107 0.100 . 1 . . . A 66 LEU N . 25439 1 717 . 1 1 69 69 TYR H H 1 7.983 0.020 . 1 . . . A 67 TYR H . 25439 1 718 . 1 1 69 69 TYR HA H 1 4.344 0.020 . 1 . . . A 67 TYR HA . 25439 1 719 . 1 1 69 69 TYR HB2 H 1 2.623 0.020 . 1 . . . A 67 TYR HB2 . 25439 1 720 . 1 1 69 69 TYR HB3 H 1 2.623 0.020 . 1 . . . A 67 TYR HB3 . 25439 1 721 . 1 1 69 69 TYR HD1 H 1 5.745 0.020 . 1 . . . A 67 TYR HD1 . 25439 1 722 . 1 1 69 69 TYR HD2 H 1 5.745 0.020 . 1 . . . A 67 TYR HD2 . 25439 1 723 . 1 1 69 69 TYR HE1 H 1 6.081 0.020 . 1 . . . A 67 TYR HE1 . 25439 1 724 . 1 1 69 69 TYR HE2 H 1 6.081 0.020 . 1 . . . A 67 TYR HE2 . 25439 1 725 . 1 1 69 69 TYR CA C 13 60.830 0.100 . 1 . . . A 67 TYR CA . 25439 1 726 . 1 1 69 69 TYR CB C 13 40.376 0.100 . 1 . . . A 67 TYR CB . 25439 1 727 . 1 1 69 69 TYR CD1 C 13 132.832 0.100 . 1 . . . A 67 TYR CD1 . 25439 1 728 . 1 1 69 69 TYR CD2 C 13 132.832 0.100 . 1 . . . A 67 TYR CD2 . 25439 1 729 . 1 1 69 69 TYR CE1 C 13 117.209 0.100 . 1 . . . A 67 TYR CE1 . 25439 1 730 . 1 1 69 69 TYR CE2 C 13 117.209 0.100 . 1 . . . A 67 TYR CE2 . 25439 1 731 . 1 1 69 69 TYR N N 15 115.264 0.100 . 1 . . . A 67 TYR N . 25439 1 732 . 1 1 70 70 TYR H H 1 8.297 0.020 . 1 . . . A 68 TYR H . 25439 1 733 . 1 1 70 70 TYR HA H 1 3.699 0.020 . 1 . . . A 68 TYR HA . 25439 1 734 . 1 1 70 70 TYR HB2 H 1 2.201 0.020 . 1 . . . A 68 TYR HB2 . 25439 1 735 . 1 1 70 70 TYR HB3 H 1 2.748 0.020 . 1 . . . A 68 TYR HB3 . 25439 1 736 . 1 1 70 70 TYR HD1 H 1 7.153 0.020 . 1 . . . A 68 TYR HD1 . 25439 1 737 . 1 1 70 70 TYR HD2 H 1 7.153 0.020 . 1 . . . A 68 TYR HD2 . 25439 1 738 . 1 1 70 70 TYR HE1 H 1 7.050 0.020 . 1 . . . A 68 TYR HE1 . 25439 1 739 . 1 1 70 70 TYR HE2 H 1 7.050 0.020 . 1 . . . A 68 TYR HE2 . 25439 1 740 . 1 1 70 70 TYR CA C 13 62.030 0.100 . 1 . . . A 68 TYR CA . 25439 1 741 . 1 1 70 70 TYR CB C 13 38.046 0.100 . 1 . . . A 68 TYR CB . 25439 1 742 . 1 1 70 70 TYR CD1 C 13 133.138 0.100 . 1 . . . A 68 TYR CD1 . 25439 1 743 . 1 1 70 70 TYR CD2 C 13 133.138 0.100 . 1 . . . A 68 TYR CD2 . 25439 1 744 . 1 1 70 70 TYR CE1 C 13 118.176 0.100 . 1 . . . A 68 TYR CE1 . 25439 1 745 . 1 1 70 70 TYR CE2 C 13 118.176 0.100 . 1 . . . A 68 TYR CE2 . 25439 1 746 . 1 1 70 70 TYR N N 15 113.945 0.100 . 1 . . . A 68 TYR N . 25439 1 747 . 1 1 71 71 LYS H H 1 7.084 0.020 . 1 . . . A 69 LYS H . 25439 1 748 . 1 1 71 71 LYS HA H 1 4.564 0.020 . 1 . . . A 69 LYS HA . 25439 1 749 . 1 1 71 71 LYS HB2 H 1 2.188 0.020 . 1 . . . A 69 LYS HB2 . 25439 1 750 . 1 1 71 71 LYS HB3 H 1 2.001 0.020 . 1 . . . A 69 LYS HB3 . 25439 1 751 . 1 1 71 71 LYS HG2 H 1 1.295 0.020 . 2 . . . A 69 LYS HG2 . 25439 1 752 . 1 1 71 71 LYS HG3 H 1 1.461 0.020 . 2 . . . A 69 LYS HG3 . 25439 1 753 . 1 1 71 71 LYS HD2 H 1 1.666 0.020 . 1 . . . A 69 LYS HD2 . 25439 1 754 . 1 1 71 71 LYS HD3 H 1 1.666 0.020 . 1 . . . A 69 LYS HD3 . 25439 1 755 . 1 1 71 71 LYS HE2 H 1 2.958 0.020 . 2 . . . A 69 LYS HE2 . 25439 1 756 . 1 1 71 71 LYS HE3 H 1 3.017 0.020 . 2 . . . A 69 LYS HE3 . 25439 1 757 . 1 1 71 71 LYS CA C 13 56.821 0.100 . 1 . . . A 69 LYS CA . 25439 1 758 . 1 1 71 71 LYS CB C 13 31.980 0.100 . 1 . . . A 69 LYS CB . 25439 1 759 . 1 1 71 71 LYS CG C 13 24.346 0.100 . 1 . . . A 69 LYS CG . 25439 1 760 . 1 1 71 71 LYS CD C 13 28.248 0.100 . 1 . . . A 69 LYS CD . 25439 1 761 . 1 1 71 71 LYS CE C 13 42.073 0.100 . 1 . . . A 69 LYS CE . 25439 1 762 . 1 1 71 71 LYS N N 15 114.346 0.100 . 1 . . . A 69 LYS N . 25439 1 763 . 1 1 72 72 ARG H H 1 8.178 0.020 . 1 . . . A 70 ARG H . 25439 1 764 . 1 1 72 72 ARG HA H 1 4.251 0.020 . 1 . . . A 70 ARG HA . 25439 1 765 . 1 1 72 72 ARG HB2 H 1 1.887 0.020 . 2 . . . A 70 ARG HB2 . 25439 1 766 . 1 1 72 72 ARG HB3 H 1 2.034 0.020 . 2 . . . A 70 ARG HB3 . 25439 1 767 . 1 1 72 72 ARG HD2 H 1 3.117 0.020 . 2 . . . A 70 ARG HD2 . 25439 1 768 . 1 1 72 72 ARG HD3 H 1 3.162 0.020 . 2 . . . A 70 ARG HD3 . 25439 1 769 . 1 1 72 72 ARG CA C 13 56.314 0.100 . 1 . . . A 70 ARG CA . 25439 1 770 . 1 1 72 72 ARG CB C 13 31.128 0.100 . 1 . . . A 70 ARG CB . 25439 1 771 . 1 1 72 72 ARG CD C 13 43.319 0.100 . 1 . . . A 70 ARG CD . 25439 1 772 . 1 1 72 72 ARG N N 15 114.676 0.100 . 1 . . . A 70 ARG N . 25439 1 773 . 1 1 73 73 LYS H H 1 6.843 0.020 . 1 . . . A 71 LYS H . 25439 1 774 . 1 1 73 73 LYS HA H 1 4.036 0.020 . 1 . . . A 71 LYS HA . 25439 1 775 . 1 1 73 73 LYS HB2 H 1 1.834 0.020 . 1 . . . A 71 LYS HB2 . 25439 1 776 . 1 1 73 73 LYS HB3 H 1 1.834 0.020 . 1 . . . A 71 LYS HB3 . 25439 1 777 . 1 1 73 73 LYS HE2 H 1 2.870 0.020 . 1 . . . A 71 LYS HE2 . 25439 1 778 . 1 1 73 73 LYS HE3 H 1 2.870 0.020 . 1 . . . A 71 LYS HE3 . 25439 1 779 . 1 1 73 73 LYS CA C 13 57.121 0.100 . 1 . . . A 71 LYS CA . 25439 1 780 . 1 1 73 73 LYS CB C 13 28.897 0.100 . 1 . . . A 71 LYS CB . 25439 1 781 . 1 1 73 73 LYS CE C 13 42.345 0.100 . 1 . . . A 71 LYS CE . 25439 1 782 . 1 1 73 73 LYS N N 15 115.371 0.100 . 1 . . . A 71 LYS N . 25439 1 783 . 1 1 74 74 ALA H H 1 8.560 0.020 . 1 . . . A 72 ALA H . 25439 1 784 . 1 1 74 74 ALA HA H 1 4.395 0.020 . 1 . . . A 72 ALA HA . 25439 1 785 . 1 1 74 74 ALA HB1 H 1 1.364 0.020 . 1 . . . A 72 ALA HB1 . 25439 1 786 . 1 1 74 74 ALA HB2 H 1 1.364 0.020 . 1 . . . A 72 ALA HB2 . 25439 1 787 . 1 1 74 74 ALA HB3 H 1 1.364 0.020 . 1 . . . A 72 ALA HB3 . 25439 1 788 . 1 1 74 74 ALA CA C 13 52.597 0.100 . 1 . . . A 72 ALA CA . 25439 1 789 . 1 1 74 74 ALA CB C 13 21.560 0.100 . 1 . . . A 72 ALA CB . 25439 1 790 . 1 1 74 74 ALA N N 15 117.701 0.100 . 1 . . . A 72 ALA N . 25439 1 791 . 1 1 75 75 ILE H H 1 7.074 0.020 . 1 . . . A 73 ILE H . 25439 1 792 . 1 1 75 75 ILE HB H 1 2.090 0.020 . 1 . . . A 73 ILE HB . 25439 1 793 . 1 1 75 75 ILE HG12 H 1 0.744 0.020 . 2 . . . A 73 ILE HG12 . 25439 1 794 . 1 1 75 75 ILE HG13 H 1 1.683 0.020 . 2 . . . A 73 ILE HG13 . 25439 1 795 . 1 1 75 75 ILE HG21 H 1 0.941 0.020 . 1 . . . A 73 ILE HG21 . 25439 1 796 . 1 1 75 75 ILE HG22 H 1 0.941 0.020 . 1 . . . A 73 ILE HG22 . 25439 1 797 . 1 1 75 75 ILE HG23 H 1 0.941 0.020 . 1 . . . A 73 ILE HG23 . 25439 1 798 . 1 1 75 75 ILE HD11 H 1 0.907 0.020 . 1 . . . A 73 ILE HD11 . 25439 1 799 . 1 1 75 75 ILE HD12 H 1 0.907 0.020 . 1 . . . A 73 ILE HD12 . 25439 1 800 . 1 1 75 75 ILE HD13 H 1 0.907 0.020 . 1 . . . A 73 ILE HD13 . 25439 1 801 . 1 1 75 75 ILE CB C 13 42.724 0.100 . 1 . . . A 73 ILE CB . 25439 1 802 . 1 1 75 75 ILE CG1 C 13 24.279 0.100 . 1 . . . A 73 ILE CG1 . 25439 1 803 . 1 1 75 75 ILE CG2 C 13 18.549 0.100 . 1 . . . A 73 ILE CG2 . 25439 1 804 . 1 1 75 75 ILE CD1 C 13 14.331 0.100 . 1 . . . A 73 ILE CD1 . 25439 1 805 . 1 1 75 75 ILE N N 15 107.605 0.100 . 1 . . . A 73 ILE N . 25439 1 806 . 1 1 76 76 SER H H 1 8.797 0.020 . 1 . . . A 74 SER H . 25439 1 807 . 1 1 76 76 SER HA H 1 4.484 0.020 . 1 . . . A 74 SER HA . 25439 1 808 . 1 1 76 76 SER HB2 H 1 4.135 0.020 . 2 . . . A 74 SER HB2 . 25439 1 809 . 1 1 76 76 SER HB3 H 1 4.477 0.020 . 2 . . . A 74 SER HB3 . 25439 1 810 . 1 1 76 76 SER CA C 13 57.082 0.100 . 1 . . . A 74 SER CA . 25439 1 811 . 1 1 76 76 SER CB C 13 65.396 0.100 . 1 . . . A 74 SER CB . 25439 1 812 . 1 1 76 76 SER N N 15 118.425 0.100 . 1 . . . A 74 SER N . 25439 1 813 . 1 1 77 77 LYS H H 1 9.024 0.020 . 1 . . . A 75 LYS H . 25439 1 814 . 1 1 77 77 LYS HA H 1 3.851 0.020 . 1 . . . A 75 LYS HA . 25439 1 815 . 1 1 77 77 LYS HB2 H 1 1.861 0.020 . 2 . . . A 75 LYS HB2 . 25439 1 816 . 1 1 77 77 LYS HB3 H 1 2.117 0.020 . 2 . . . A 75 LYS HB3 . 25439 1 817 . 1 1 77 77 LYS HE2 H 1 3.126 0.020 . 1 . . . A 75 LYS HE2 . 25439 1 818 . 1 1 77 77 LYS HE3 H 1 3.126 0.020 . 1 . . . A 75 LYS HE3 . 25439 1 819 . 1 1 77 77 LYS CA C 13 59.624 0.100 . 1 . . . A 75 LYS CA . 25439 1 820 . 1 1 77 77 LYS CB C 13 32.368 0.100 . 1 . . . A 75 LYS CB . 25439 1 821 . 1 1 77 77 LYS CE C 13 42.593 0.100 . 1 . . . A 75 LYS CE . 25439 1 822 . 1 1 77 77 LYS N N 15 121.891 0.100 . 1 . . . A 75 LYS N . 25439 1 823 . 1 1 78 78 ASP H H 1 8.161 0.020 . 1 . . . A 76 ASP H . 25439 1 824 . 1 1 78 78 ASP HA H 1 4.423 0.020 . 1 . . . A 76 ASP HA . 25439 1 825 . 1 1 78 78 ASP HB2 H 1 2.653 0.020 . 1 . . . A 76 ASP HB2 . 25439 1 826 . 1 1 78 78 ASP HB3 H 1 2.578 0.020 . 1 . . . A 76 ASP HB3 . 25439 1 827 . 1 1 78 78 ASP CA C 13 57.362 0.100 . 1 . . . A 76 ASP CA . 25439 1 828 . 1 1 78 78 ASP CB C 13 40.391 0.100 . 1 . . . A 76 ASP CB . 25439 1 829 . 1 1 78 78 ASP N N 15 115.908 0.100 . 1 . . . A 76 ASP N . 25439 1 830 . 1 1 79 79 LEU H H 1 8.345 0.020 . 1 . . . A 77 LEU H . 25439 1 831 . 1 1 79 79 LEU HA H 1 4.180 0.020 . 1 . . . A 77 LEU HA . 25439 1 832 . 1 1 79 79 LEU HD11 H 1 1.057 0.020 . 2 . . . A 77 LEU HD11 . 25439 1 833 . 1 1 79 79 LEU HD12 H 1 1.057 0.020 . 2 . . . A 77 LEU HD12 . 25439 1 834 . 1 1 79 79 LEU HD13 H 1 1.057 0.020 . 2 . . . A 77 LEU HD13 . 25439 1 835 . 1 1 79 79 LEU HD21 H 1 0.987 0.020 . 2 . . . A 77 LEU HD21 . 25439 1 836 . 1 1 79 79 LEU HD22 H 1 0.987 0.020 . 2 . . . A 77 LEU HD22 . 25439 1 837 . 1 1 79 79 LEU HD23 H 1 0.987 0.020 . 2 . . . A 77 LEU HD23 . 25439 1 838 . 1 1 79 79 LEU CA C 13 57.818 0.100 . 1 . . . A 77 LEU CA . 25439 1 839 . 1 1 79 79 LEU CD1 C 13 23.510 0.100 . 2 . . . A 77 LEU CD1 . 25439 1 840 . 1 1 79 79 LEU CD2 C 13 25.759 0.100 . 2 . . . A 77 LEU CD2 . 25439 1 841 . 1 1 79 79 LEU N N 15 121.705 0.100 . 1 . . . A 77 LEU N . 25439 1 842 . 1 1 80 80 TYR H H 1 8.598 0.020 . 1 . . . A 78 TYR H . 25439 1 843 . 1 1 80 80 TYR HA H 1 3.789 0.020 . 1 . . . A 78 TYR HA . 25439 1 844 . 1 1 80 80 TYR HB2 H 1 2.214 0.020 . 1 . . . A 78 TYR HB2 . 25439 1 845 . 1 1 80 80 TYR HB3 H 1 2.421 0.020 . 1 . . . A 78 TYR HB3 . 25439 1 846 . 1 1 80 80 TYR HD1 H 1 6.555 0.020 . 1 . . . A 78 TYR HD1 . 25439 1 847 . 1 1 80 80 TYR HD2 H 1 6.555 0.020 . 1 . . . A 78 TYR HD2 . 25439 1 848 . 1 1 80 80 TYR HE1 H 1 6.622 0.020 . 1 . . . A 78 TYR HE1 . 25439 1 849 . 1 1 80 80 TYR HE2 H 1 6.622 0.020 . 1 . . . A 78 TYR HE2 . 25439 1 850 . 1 1 80 80 TYR CA C 13 62.857 0.100 . 1 . . . A 78 TYR CA . 25439 1 851 . 1 1 80 80 TYR CB C 13 38.369 0.100 . 1 . . . A 78 TYR CB . 25439 1 852 . 1 1 80 80 TYR CD1 C 13 132.680 0.100 . 1 . . . A 78 TYR CD1 . 25439 1 853 . 1 1 80 80 TYR CD2 C 13 132.680 0.100 . 1 . . . A 78 TYR CD2 . 25439 1 854 . 1 1 80 80 TYR CE1 C 13 117.871 0.100 . 1 . . . A 78 TYR CE1 . 25439 1 855 . 1 1 80 80 TYR CE2 C 13 117.871 0.100 . 1 . . . A 78 TYR CE2 . 25439 1 856 . 1 1 80 80 TYR N N 15 121.511 0.100 . 1 . . . A 78 TYR N . 25439 1 857 . 1 1 81 81 ASP H H 1 9.106 0.020 . 1 . . . A 79 ASP H . 25439 1 858 . 1 1 81 81 ASP HA H 1 4.066 0.020 . 1 . . . A 79 ASP HA . 25439 1 859 . 1 1 81 81 ASP HB2 H 1 2.566 0.020 . 1 . . . A 79 ASP HB2 . 25439 1 860 . 1 1 81 81 ASP HB3 H 1 2.819 0.020 . 1 . . . A 79 ASP HB3 . 25439 1 861 . 1 1 81 81 ASP CA C 13 57.219 0.100 . 1 . . . A 79 ASP CA . 25439 1 862 . 1 1 81 81 ASP CB C 13 40.003 0.100 . 1 . . . A 79 ASP CB . 25439 1 863 . 1 1 81 81 ASP N N 15 117.189 0.100 . 1 . . . A 79 ASP N . 25439 1 864 . 1 1 82 82 TRP H H 1 7.931 0.020 . 1 . . . A 80 TRP H . 25439 1 865 . 1 1 82 82 TRP HA H 1 4.160 0.020 . 1 . . . A 80 TRP HA . 25439 1 866 . 1 1 82 82 TRP HB2 H 1 3.296 0.020 . 1 . . . A 80 TRP HB2 . 25439 1 867 . 1 1 82 82 TRP HB3 H 1 3.563 0.020 . 1 . . . A 80 TRP HB3 . 25439 1 868 . 1 1 82 82 TRP HD1 H 1 7.233 0.020 . 1 . . . A 80 TRP HD1 . 25439 1 869 . 1 1 82 82 TRP HE1 H 1 9.858 0.020 . 1 . . . A 80 TRP HE1 . 25439 1 870 . 1 1 82 82 TRP HE3 H 1 7.141 0.020 . 1 . . . A 80 TRP HE3 . 25439 1 871 . 1 1 82 82 TRP HZ2 H 1 7.263 0.020 . 1 . . . A 80 TRP HZ2 . 25439 1 872 . 1 1 82 82 TRP HZ3 H 1 6.395 0.020 . 1 . . . A 80 TRP HZ3 . 25439 1 873 . 1 1 82 82 TRP HH2 H 1 6.708 0.020 . 1 . . . A 80 TRP HH2 . 25439 1 874 . 1 1 82 82 TRP CA C 13 62.368 0.100 . 1 . . . A 80 TRP CA . 25439 1 875 . 1 1 82 82 TRP CB C 13 29.969 0.100 . 1 . . . A 80 TRP CB . 25439 1 876 . 1 1 82 82 TRP CD1 C 13 126.827 0.100 . 1 . . . A 80 TRP CD1 . 25439 1 877 . 1 1 82 82 TRP CE3 C 13 118.939 0.100 . 1 . . . A 80 TRP CE3 . 25439 1 878 . 1 1 82 82 TRP CZ2 C 13 114.512 0.100 . 1 . . . A 80 TRP CZ2 . 25439 1 879 . 1 1 82 82 TRP CZ3 C 13 122.578 0.100 . 1 . . . A 80 TRP CZ3 . 25439 1 880 . 1 1 82 82 TRP CH2 C 13 124.664 0.100 . 1 . . . A 80 TRP CH2 . 25439 1 881 . 1 1 82 82 TRP N N 15 123.400 0.100 . 1 . . . A 80 TRP N . 25439 1 882 . 1 1 82 82 TRP NE1 N 15 129.199 0.100 . 1 . . . A 80 TRP NE1 . 25439 1 883 . 1 1 83 83 LEU H H 1 8.814 0.020 . 1 . . . A 81 LEU H . 25439 1 884 . 1 1 83 83 LEU HA H 1 3.971 0.020 . 1 . . . A 81 LEU HA . 25439 1 885 . 1 1 83 83 LEU HB2 H 1 2.384 0.020 . 1 . . . A 81 LEU HB2 . 25439 1 886 . 1 1 83 83 LEU HB3 H 1 1.280 0.020 . 1 . . . A 81 LEU HB3 . 25439 1 887 . 1 1 83 83 LEU HD11 H 1 0.972 0.020 . 2 . . . A 81 LEU HD11 . 25439 1 888 . 1 1 83 83 LEU HD12 H 1 0.972 0.020 . 2 . . . A 81 LEU HD12 . 25439 1 889 . 1 1 83 83 LEU HD13 H 1 0.972 0.020 . 2 . . . A 81 LEU HD13 . 25439 1 890 . 1 1 83 83 LEU HD21 H 1 0.907 0.020 . 2 . . . A 81 LEU HD21 . 25439 1 891 . 1 1 83 83 LEU HD22 H 1 0.907 0.020 . 2 . . . A 81 LEU HD22 . 25439 1 892 . 1 1 83 83 LEU HD23 H 1 0.907 0.020 . 2 . . . A 81 LEU HD23 . 25439 1 893 . 1 1 83 83 LEU CA C 13 58.294 0.100 . 1 . . . A 81 LEU CA . 25439 1 894 . 1 1 83 83 LEU CB C 13 41.818 0.100 . 1 . . . A 81 LEU CB . 25439 1 895 . 1 1 83 83 LEU CD1 C 13 24.227 0.100 . 2 . . . A 81 LEU CD1 . 25439 1 896 . 1 1 83 83 LEU CD2 C 13 27.741 0.100 . 2 . . . A 81 LEU CD2 . 25439 1 897 . 1 1 83 83 LEU N N 15 119.674 0.100 . 1 . . . A 81 LEU N . 25439 1 898 . 1 1 84 84 ILE H H 1 7.886 0.020 . 1 . . . A 82 ILE H . 25439 1 899 . 1 1 84 84 ILE HA H 1 3.861 0.020 . 1 . . . A 82 ILE HA . 25439 1 900 . 1 1 84 84 ILE HB H 1 1.943 0.020 . 1 . . . A 82 ILE HB . 25439 1 901 . 1 1 84 84 ILE HG12 H 1 0.954 0.020 . 2 . . . A 82 ILE HG12 . 25439 1 902 . 1 1 84 84 ILE HG13 H 1 0.866 0.020 . 2 . . . A 82 ILE HG13 . 25439 1 903 . 1 1 84 84 ILE HG21 H 1 0.840 0.020 . 1 . . . A 82 ILE HG21 . 25439 1 904 . 1 1 84 84 ILE HG22 H 1 0.840 0.020 . 1 . . . A 82 ILE HG22 . 25439 1 905 . 1 1 84 84 ILE HG23 H 1 0.840 0.020 . 1 . . . A 82 ILE HG23 . 25439 1 906 . 1 1 84 84 ILE HD11 H 1 0.409 0.020 . 1 . . . A 82 ILE HD11 . 25439 1 907 . 1 1 84 84 ILE HD12 H 1 0.409 0.020 . 1 . . . A 82 ILE HD12 . 25439 1 908 . 1 1 84 84 ILE HD13 H 1 0.409 0.020 . 1 . . . A 82 ILE HD13 . 25439 1 909 . 1 1 84 84 ILE CA C 13 62.734 0.100 . 1 . . . A 82 ILE CA . 25439 1 910 . 1 1 84 84 ILE CB C 13 36.236 0.100 . 1 . . . A 82 ILE CB . 25439 1 911 . 1 1 84 84 ILE CG1 C 13 27.212 0.100 . 1 . . . A 82 ILE CG1 . 25439 1 912 . 1 1 84 84 ILE CG2 C 13 18.060 0.100 . 1 . . . A 82 ILE CG2 . 25439 1 913 . 1 1 84 84 ILE CD1 C 13 10.609 0.100 . 1 . . . A 82 ILE CD1 . 25439 1 914 . 1 1 84 84 ILE N N 15 118.746 0.100 . 1 . . . A 82 ILE N . 25439 1 915 . 1 1 85 85 LYS H H 1 8.224 0.020 . 1 . . . A 83 LYS H . 25439 1 916 . 1 1 85 85 LYS HA H 1 3.911 0.020 . 1 . . . A 83 LYS HA . 25439 1 917 . 1 1 85 85 LYS HB2 H 1 1.873 0.020 . 1 . . . A 83 LYS HB2 . 25439 1 918 . 1 1 85 85 LYS HB3 H 1 1.873 0.020 . 1 . . . A 83 LYS HB3 . 25439 1 919 . 1 1 85 85 LYS CA C 13 59.643 0.100 . 1 . . . A 83 LYS CA . 25439 1 920 . 1 1 85 85 LYS CB C 13 32.027 0.100 . 1 . . . A 83 LYS CB . 25439 1 921 . 1 1 85 85 LYS N N 15 124.819 0.100 . 1 . . . A 83 LYS N . 25439 1 922 . 1 1 86 86 GLU H H 1 8.138 0.020 . 1 . . . A 84 GLU H . 25439 1 923 . 1 1 86 86 GLU HA H 1 3.841 0.020 . 1 . . . A 84 GLU HA . 25439 1 924 . 1 1 86 86 GLU HB2 H 1 1.109 0.020 . 1 . . . A 84 GLU HB2 . 25439 1 925 . 1 1 86 86 GLU HB3 H 1 1.864 0.020 . 1 . . . A 84 GLU HB3 . 25439 1 926 . 1 1 86 86 GLU HG2 H 1 0.503 0.020 . 2 . . . A 84 GLU HG2 . 25439 1 927 . 1 1 86 86 GLU HG3 H 1 1.069 0.020 . 2 . . . A 84 GLU HG3 . 25439 1 928 . 1 1 86 86 GLU CA C 13 55.582 0.100 . 1 . . . A 84 GLU CA . 25439 1 929 . 1 1 86 86 GLU CB C 13 29.459 0.100 . 1 . . . A 84 GLU CB . 25439 1 930 . 1 1 86 86 GLU CG C 13 34.601 0.100 . 1 . . . A 84 GLU CG . 25439 1 931 . 1 1 86 86 GLU N N 15 115.404 0.100 . 1 . . . A 84 GLU N . 25439 1 932 . 1 1 87 87 LYS H H 1 7.719 0.020 . 1 . . . A 85 LYS H . 25439 1 933 . 1 1 87 87 LYS HA H 1 3.820 0.020 . 1 . . . A 85 LYS HA . 25439 1 934 . 1 1 87 87 LYS HB2 H 1 1.873 0.020 . 2 . . . A 85 LYS HB2 . 25439 1 935 . 1 1 87 87 LYS HB3 H 1 1.994 0.020 . 2 . . . A 85 LYS HB3 . 25439 1 936 . 1 1 87 87 LYS CA C 13 57.890 0.100 . 1 . . . A 85 LYS CA . 25439 1 937 . 1 1 87 87 LYS CB C 13 28.005 0.100 . 1 . . . A 85 LYS CB . 25439 1 938 . 1 1 87 87 LYS N N 15 111.563 0.100 . 1 . . . A 85 LYS N . 25439 1 939 . 1 1 88 88 TYR H H 1 8.521 0.020 . 1 . . . A 86 TYR H . 25439 1 940 . 1 1 88 88 TYR HA H 1 4.137 0.020 . 1 . . . A 86 TYR HA . 25439 1 941 . 1 1 88 88 TYR HB2 H 1 2.804 0.020 . 1 . . . A 86 TYR HB2 . 25439 1 942 . 1 1 88 88 TYR HB3 H 1 2.932 0.020 . 1 . . . A 86 TYR HB3 . 25439 1 943 . 1 1 88 88 TYR HD1 H 1 7.127 0.020 . 1 . . . A 86 TYR HD1 . 25439 1 944 . 1 1 88 88 TYR HD2 H 1 7.127 0.020 . 1 . . . A 86 TYR HD2 . 25439 1 945 . 1 1 88 88 TYR HE1 H 1 6.877 0.020 . 1 . . . A 86 TYR HE1 . 25439 1 946 . 1 1 88 88 TYR HE2 H 1 6.877 0.020 . 1 . . . A 86 TYR HE2 . 25439 1 947 . 1 1 88 88 TYR CA C 13 61.228 0.100 . 1 . . . A 86 TYR CA . 25439 1 948 . 1 1 88 88 TYR CB C 13 39.535 0.100 . 1 . . . A 86 TYR CB . 25439 1 949 . 1 1 88 88 TYR CD1 C 13 132.985 0.100 . 1 . . . A 86 TYR CD1 . 25439 1 950 . 1 1 88 88 TYR CD2 C 13 132.985 0.100 . 1 . . . A 86 TYR CD2 . 25439 1 951 . 1 1 88 88 TYR CE1 C 13 118.838 0.100 . 1 . . . A 86 TYR CE1 . 25439 1 952 . 1 1 88 88 TYR CE2 C 13 118.838 0.100 . 1 . . . A 86 TYR CE2 . 25439 1 953 . 1 1 88 88 TYR N N 15 116.916 0.100 . 1 . . . A 86 TYR N . 25439 1 954 . 1 1 89 89 ALA H H 1 6.959 0.020 . 1 . . . A 87 ALA H . 25439 1 955 . 1 1 89 89 ALA HA H 1 4.738 0.020 . 1 . . . A 87 ALA HA . 25439 1 956 . 1 1 89 89 ALA HB1 H 1 1.267 0.020 . 1 . . . A 87 ALA HB1 . 25439 1 957 . 1 1 89 89 ALA HB2 H 1 1.267 0.020 . 1 . . . A 87 ALA HB2 . 25439 1 958 . 1 1 89 89 ALA HB3 H 1 1.267 0.020 . 1 . . . A 87 ALA HB3 . 25439 1 959 . 1 1 89 89 ALA CA C 13 49.121 0.100 . 1 . . . A 87 ALA CA . 25439 1 960 . 1 1 89 89 ALA CB C 13 23.295 0.100 . 1 . . . A 87 ALA CB . 25439 1 961 . 1 1 89 89 ALA N N 15 113.715 0.100 . 1 . . . A 87 ALA N . 25439 1 962 . 1 1 90 90 ASP H H 1 7.870 0.020 . 1 . . . A 88 ASP H . 25439 1 963 . 1 1 90 90 ASP HA H 1 4.544 0.020 . 1 . . . A 88 ASP HA . 25439 1 964 . 1 1 90 90 ASP HB2 H 1 2.430 0.020 . 1 . . . A 88 ASP HB2 . 25439 1 965 . 1 1 90 90 ASP HB3 H 1 2.769 0.020 . 1 . . . A 88 ASP HB3 . 25439 1 966 . 1 1 90 90 ASP CA C 13 52.714 0.100 . 1 . . . A 88 ASP CA . 25439 1 967 . 1 1 90 90 ASP CB C 13 41.845 0.100 . 1 . . . A 88 ASP CB . 25439 1 968 . 1 1 90 90 ASP N N 15 119.344 0.100 . 1 . . . A 88 ASP N . 25439 1 969 . 1 1 91 91 LYS H H 1 8.467 0.020 . 1 . . . A 89 LYS H . 25439 1 970 . 1 1 91 91 LYS HA H 1 3.834 0.020 . 1 . . . A 89 LYS HA . 25439 1 971 . 1 1 91 91 LYS HB2 H 1 1.801 0.020 . 1 . . . A 89 LYS HB2 . 25439 1 972 . 1 1 91 91 LYS HB3 H 1 1.982 0.020 . 1 . . . A 89 LYS HB3 . 25439 1 973 . 1 1 91 91 LYS CA C 13 59.409 0.100 . 1 . . . A 89 LYS CA . 25439 1 974 . 1 1 91 91 LYS CB C 13 32.848 0.100 . 1 . . . A 89 LYS CB . 25439 1 975 . 1 1 91 91 LYS N N 15 125.312 0.100 . 1 . . . A 89 LYS N . 25439 1 976 . 1 1 92 92 LEU H H 1 8.076 0.020 . 1 . . . A 90 LEU H . 25439 1 977 . 1 1 92 92 LEU HA H 1 4.023 0.020 . 1 . . . A 90 LEU HA . 25439 1 978 . 1 1 92 92 LEU HB2 H 1 1.313 0.020 . 2 . . . A 90 LEU HB2 . 25439 1 979 . 1 1 92 92 LEU HB3 H 1 1.855 0.020 . 2 . . . A 90 LEU HB3 . 25439 1 980 . 1 1 92 92 LEU HG H 1 1.592 0.020 . 1 . . . A 90 LEU HG . 25439 1 981 . 1 1 92 92 LEU HD11 H 1 0.775 0.020 . 2 . . . A 90 LEU HD11 . 25439 1 982 . 1 1 92 92 LEU HD12 H 1 0.775 0.020 . 2 . . . A 90 LEU HD12 . 25439 1 983 . 1 1 92 92 LEU HD13 H 1 0.775 0.020 . 2 . . . A 90 LEU HD13 . 25439 1 984 . 1 1 92 92 LEU HD21 H 1 0.875 0.020 . 2 . . . A 90 LEU HD21 . 25439 1 985 . 1 1 92 92 LEU HD22 H 1 0.875 0.020 . 2 . . . A 90 LEU HD22 . 25439 1 986 . 1 1 92 92 LEU HD23 H 1 0.875 0.020 . 2 . . . A 90 LEU HD23 . 25439 1 987 . 1 1 92 92 LEU CA C 13 57.049 0.100 . 1 . . . A 90 LEU CA . 25439 1 988 . 1 1 92 92 LEU CB C 13 41.099 0.100 . 1 . . . A 90 LEU CB . 25439 1 989 . 1 1 92 92 LEU CG C 13 27.441 0.100 . 1 . . . A 90 LEU CG . 25439 1 990 . 1 1 92 92 LEU CD1 C 13 22.623 0.100 . 2 . . . A 90 LEU CD1 . 25439 1 991 . 1 1 92 92 LEU CD2 C 13 24.918 0.100 . 2 . . . A 90 LEU CD2 . 25439 1 992 . 1 1 92 92 LEU N N 15 119.899 0.100 . 1 . . . A 90 LEU N . 25439 1 993 . 1 1 93 93 LEU H H 1 7.120 0.020 . 1 . . . A 91 LEU H . 25439 1 994 . 1 1 93 93 LEU HA H 1 3.498 0.020 . 1 . . . A 91 LEU HA . 25439 1 995 . 1 1 93 93 LEU HB2 H 1 0.953 0.020 . 1 . . . A 91 LEU HB2 . 25439 1 996 . 1 1 93 93 LEU HB3 H 1 1.113 0.020 . 1 . . . A 91 LEU HB3 . 25439 1 997 . 1 1 93 93 LEU HG H 1 -0.200 0.020 . 1 . . . A 91 LEU HG . 25439 1 998 . 1 1 93 93 LEU HD11 H 1 0.362 0.020 . 2 . . . A 91 LEU HD11 . 25439 1 999 . 1 1 93 93 LEU HD12 H 1 0.362 0.020 . 2 . . . A 91 LEU HD12 . 25439 1 1000 . 1 1 93 93 LEU HD13 H 1 0.362 0.020 . 2 . . . A 91 LEU HD13 . 25439 1 1001 . 1 1 93 93 LEU HD21 H 1 0.679 0.020 . 2 . . . A 91 LEU HD21 . 25439 1 1002 . 1 1 93 93 LEU HD22 H 1 0.679 0.020 . 2 . . . A 91 LEU HD22 . 25439 1 1003 . 1 1 93 93 LEU HD23 H 1 0.679 0.020 . 2 . . . A 91 LEU HD23 . 25439 1 1004 . 1 1 93 93 LEU CA C 13 56.971 0.100 . 1 . . . A 91 LEU CA . 25439 1 1005 . 1 1 93 93 LEU CB C 13 41.823 0.100 . 1 . . . A 91 LEU CB . 25439 1 1006 . 1 1 93 93 LEU CG C 13 25.661 0.100 . 1 . . . A 91 LEU CG . 25439 1 1007 . 1 1 93 93 LEU CD1 C 13 21.899 0.100 . 2 . . . A 91 LEU CD1 . 25439 1 1008 . 1 1 93 93 LEU CD2 C 13 26.456 0.100 . 2 . . . A 91 LEU CD2 . 25439 1 1009 . 1 1 93 93 LEU N N 15 123.148 0.100 . 1 . . . A 91 LEU N . 25439 1 1010 . 1 1 94 94 ILE H H 1 7.384 0.020 . 1 . . . A 92 ILE H . 25439 1 1011 . 1 1 94 94 ILE HA H 1 3.265 0.020 . 1 . . . A 92 ILE HA . 25439 1 1012 . 1 1 94 94 ILE HB H 1 1.688 0.020 . 1 . . . A 92 ILE HB . 25439 1 1013 . 1 1 94 94 ILE HG12 H 1 1.336 0.020 . 1 . . . A 92 ILE HG12 . 25439 1 1014 . 1 1 94 94 ILE HG13 H 1 1.336 0.020 . 1 . . . A 92 ILE HG13 . 25439 1 1015 . 1 1 94 94 ILE HG21 H 1 1.344 0.020 . 1 . . . A 92 ILE HG21 . 25439 1 1016 . 1 1 94 94 ILE HG22 H 1 1.344 0.020 . 1 . . . A 92 ILE HG22 . 25439 1 1017 . 1 1 94 94 ILE HG23 H 1 1.344 0.020 . 1 . . . A 92 ILE HG23 . 25439 1 1018 . 1 1 94 94 ILE HD11 H 1 1.204 0.020 . 1 . . . A 92 ILE HD11 . 25439 1 1019 . 1 1 94 94 ILE HD12 H 1 1.204 0.020 . 1 . . . A 92 ILE HD12 . 25439 1 1020 . 1 1 94 94 ILE HD13 H 1 1.204 0.020 . 1 . . . A 92 ILE HD13 . 25439 1 1021 . 1 1 94 94 ILE CA C 13 65.178 0.100 . 1 . . . A 92 ILE CA . 25439 1 1022 . 1 1 94 94 ILE CB C 13 38.209 0.100 . 1 . . . A 92 ILE CB . 25439 1 1023 . 1 1 94 94 ILE CG1 C 13 31.786 0.100 . 1 . . . A 92 ILE CG1 . 25439 1 1024 . 1 1 94 94 ILE CG2 C 13 17.590 0.100 . 1 . . . A 92 ILE CG2 . 25439 1 1025 . 1 1 94 94 ILE CD1 C 13 14.272 0.100 . 1 . . . A 92 ILE CD1 . 25439 1 1026 . 1 1 94 94 ILE N N 15 116.780 0.100 . 1 . . . A 92 ILE N . 25439 1 1027 . 1 1 95 95 ALA H H 1 7.437 0.020 . 1 . . . A 93 ALA H . 25439 1 1028 . 1 1 95 95 ALA HA H 1 3.930 0.020 . 1 . . . A 93 ALA HA . 25439 1 1029 . 1 1 95 95 ALA HB1 H 1 1.398 0.020 . 1 . . . A 93 ALA HB1 . 25439 1 1030 . 1 1 95 95 ALA HB2 H 1 1.398 0.020 . 1 . . . A 93 ALA HB2 . 25439 1 1031 . 1 1 95 95 ALA HB3 H 1 1.398 0.020 . 1 . . . A 93 ALA HB3 . 25439 1 1032 . 1 1 95 95 ALA CA C 13 54.839 0.100 . 1 . . . A 93 ALA CA . 25439 1 1033 . 1 1 95 95 ALA CB C 13 18.125 0.100 . 1 . . . A 93 ALA CB . 25439 1 1034 . 1 1 95 95 ALA N N 15 117.061 0.100 . 1 . . . A 93 ALA N . 25439 1 1035 . 1 1 96 96 LYS H H 1 7.012 0.020 . 1 . . . A 94 LYS H . 25439 1 1036 . 1 1 96 96 LYS HA H 1 3.803 0.020 . 1 . . . A 94 LYS HA . 25439 1 1037 . 1 1 96 96 LYS HB2 H 1 1.872 0.020 . 1 . . . A 94 LYS HB2 . 25439 1 1038 . 1 1 96 96 LYS HB3 H 1 1.426 0.020 . 1 . . . A 94 LYS HB3 . 25439 1 1039 . 1 1 96 96 LYS HG2 H 1 1.401 0.020 . 1 . . . A 94 LYS HG2 . 25439 1 1040 . 1 1 96 96 LYS HG3 H 1 1.401 0.020 . 1 . . . A 94 LYS HG3 . 25439 1 1041 . 1 1 96 96 LYS HD2 H 1 1.127 0.020 . 1 . . . A 94 LYS HD2 . 25439 1 1042 . 1 1 96 96 LYS HD3 H 1 1.127 0.020 . 1 . . . A 94 LYS HD3 . 25439 1 1043 . 1 1 96 96 LYS HE2 H 1 2.349 0.020 . 2 . . . A 94 LYS HE2 . 25439 1 1044 . 1 1 96 96 LYS HE3 H 1 2.432 0.020 . 2 . . . A 94 LYS HE3 . 25439 1 1045 . 1 1 96 96 LYS CA C 13 56.945 0.100 . 1 . . . A 94 LYS CA . 25439 1 1046 . 1 1 96 96 LYS CB C 13 31.047 0.100 . 1 . . . A 94 LYS CB . 25439 1 1047 . 1 1 96 96 LYS CG C 13 23.859 0.100 . 1 . . . A 94 LYS CG . 25439 1 1048 . 1 1 96 96 LYS CD C 13 27.578 0.100 . 1 . . . A 94 LYS CD . 25439 1 1049 . 1 1 96 96 LYS CE C 13 41.760 0.100 . 1 . . . A 94 LYS CE . 25439 1 1050 . 1 1 96 96 LYS N N 15 116.036 0.100 . 1 . . . A 94 LYS N . 25439 1 1051 . 1 1 97 97 TRP H H 1 7.611 0.020 . 1 . . . A 95 TRP H . 25439 1 1052 . 1 1 97 97 TRP HA H 1 4.814 0.020 . 1 . . . A 95 TRP HA . 25439 1 1053 . 1 1 97 97 TRP HB2 H 1 3.035 0.020 . 1 . . . A 95 TRP HB2 . 25439 1 1054 . 1 1 97 97 TRP HB3 H 1 2.612 0.020 . 1 . . . A 95 TRP HB3 . 25439 1 1055 . 1 1 97 97 TRP HD1 H 1 7.693 0.020 . 1 . . . A 95 TRP HD1 . 25439 1 1056 . 1 1 97 97 TRP HE1 H 1 11.318 0.020 . 1 . . . A 95 TRP HE1 . 25439 1 1057 . 1 1 97 97 TRP HE3 H 1 6.530 0.020 . 1 . . . A 95 TRP HE3 . 25439 1 1058 . 1 1 97 97 TRP HZ2 H 1 6.281 0.020 . 1 . . . A 95 TRP HZ2 . 25439 1 1059 . 1 1 97 97 TRP HZ3 H 1 6.451 0.020 . 1 . . . A 95 TRP HZ3 . 25439 1 1060 . 1 1 97 97 TRP HH2 H 1 6.996 0.020 . 1 . . . A 95 TRP HH2 . 25439 1 1061 . 1 1 97 97 TRP CA C 13 57.136 0.100 . 1 . . . A 95 TRP CA . 25439 1 1062 . 1 1 97 97 TRP CB C 13 28.171 0.100 . 1 . . . A 95 TRP CB . 25439 1 1063 . 1 1 97 97 TRP CD1 C 13 125.402 0.100 . 1 . . . A 95 TRP CD1 . 25439 1 1064 . 1 1 97 97 TRP CE3 C 13 118.303 0.100 . 1 . . . A 95 TRP CE3 . 25439 1 1065 . 1 1 97 97 TRP CZ2 C 13 113.978 0.100 . 1 . . . A 95 TRP CZ2 . 25439 1 1066 . 1 1 97 97 TRP CZ3 C 13 119.779 0.100 . 1 . . . A 95 TRP CZ3 . 25439 1 1067 . 1 1 97 97 TRP CH2 C 13 123.494 0.100 . 1 . . . A 95 TRP CH2 . 25439 1 1068 . 1 1 97 97 TRP N N 15 118.700 0.100 . 1 . . . A 95 TRP N . 25439 1 1069 . 1 1 97 97 TRP NE1 N 15 130.138 0.100 . 1 . . . A 95 TRP NE1 . 25439 1 1070 . 1 1 98 98 ARG H H 1 7.066 0.020 . 1 . . . A 96 ARG H . 25439 1 1071 . 1 1 98 98 ARG HA H 1 4.233 0.020 . 1 . . . A 96 ARG HA . 25439 1 1072 . 1 1 98 98 ARG HB2 H 1 1.630 0.020 . 1 . . . A 96 ARG HB2 . 25439 1 1073 . 1 1 98 98 ARG HB3 H 1 2.171 0.020 . 1 . . . A 96 ARG HB3 . 25439 1 1074 . 1 1 98 98 ARG HD2 H 1 2.715 0.020 . 1 . . . A 96 ARG HD2 . 25439 1 1075 . 1 1 98 98 ARG HD3 H 1 2.715 0.020 . 1 . . . A 96 ARG HD3 . 25439 1 1076 . 1 1 98 98 ARG CA C 13 56.234 0.100 . 1 . . . A 96 ARG CA . 25439 1 1077 . 1 1 98 98 ARG CB C 13 30.245 0.100 . 1 . . . A 96 ARG CB . 25439 1 1078 . 1 1 98 98 ARG CD C 13 42.848 0.100 . 1 . . . A 96 ARG CD . 25439 1 1079 . 1 1 98 98 ARG N N 15 113.031 0.100 . 1 . . . A 96 ARG N . 25439 1 1080 . 1 1 99 99 LYS H H 1 8.467 0.020 . 1 . . . A 97 LYS H . 25439 1 1081 . 1 1 99 99 LYS HA H 1 4.634 0.020 . 1 . . . A 97 LYS HA . 25439 1 1082 . 1 1 99 99 LYS HB2 H 1 2.002 0.020 . 1 . . . A 97 LYS HB2 . 25439 1 1083 . 1 1 99 99 LYS HB3 H 1 2.032 0.020 . 1 . . . A 97 LYS HB3 . 25439 1 1084 . 1 1 99 99 LYS HG2 H 1 1.525 0.020 . 2 . . . A 97 LYS HG2 . 25439 1 1085 . 1 1 99 99 LYS HG3 H 1 1.594 0.020 . 2 . . . A 97 LYS HG3 . 25439 1 1086 . 1 1 99 99 LYS HD2 H 1 1.491 0.020 . 1 . . . A 97 LYS HD2 . 25439 1 1087 . 1 1 99 99 LYS HD3 H 1 1.491 0.020 . 1 . . . A 97 LYS HD3 . 25439 1 1088 . 1 1 99 99 LYS HE2 H 1 2.970 0.020 . 1 . . . A 97 LYS HE2 . 25439 1 1089 . 1 1 99 99 LYS HE3 H 1 2.970 0.020 . 1 . . . A 97 LYS HE3 . 25439 1 1090 . 1 1 99 99 LYS CA C 13 54.937 0.100 . 1 . . . A 97 LYS CA . 25439 1 1091 . 1 1 99 99 LYS CB C 13 34.166 0.100 . 1 . . . A 97 LYS CB . 25439 1 1092 . 1 1 99 99 LYS CG C 13 24.446 0.100 . 1 . . . A 97 LYS CG . 25439 1 1093 . 1 1 99 99 LYS CD C 13 29.111 0.100 . 1 . . . A 97 LYS CD . 25439 1 1094 . 1 1 99 99 LYS CE C 13 42.192 0.100 . 1 . . . A 97 LYS CE . 25439 1 1095 . 1 1 99 99 LYS N N 15 123.252 0.100 . 1 . . . A 97 LYS N . 25439 1 1096 . 1 1 100 100 THR H H 1 8.329 0.020 . 1 . . . A 98 THR H . 25439 1 1097 . 1 1 100 100 THR HA H 1 4.224 0.020 . 1 . . . A 98 THR HA . 25439 1 1098 . 1 1 100 100 THR HB H 1 4.054 0.020 . 1 . . . A 98 THR HB . 25439 1 1099 . 1 1 100 100 THR HG21 H 1 1.334 0.020 . 1 . . . A 98 THR HG21 . 25439 1 1100 . 1 1 100 100 THR HG22 H 1 1.334 0.020 . 1 . . . A 98 THR HG22 . 25439 1 1101 . 1 1 100 100 THR HG23 H 1 1.334 0.020 . 1 . . . A 98 THR HG23 . 25439 1 1102 . 1 1 100 100 THR CA C 13 64.670 0.100 . 1 . . . A 98 THR CA . 25439 1 1103 . 1 1 100 100 THR CB C 13 69.200 0.100 . 1 . . . A 98 THR CB . 25439 1 1104 . 1 1 100 100 THR CG2 C 13 21.880 0.100 . 1 . . . A 98 THR CG2 . 25439 1 1105 . 1 1 100 100 THR N N 15 119.993 0.100 . 1 . . . A 98 THR N . 25439 1 1106 . 1 1 101 101 GLY H H 1 9.273 0.020 . 1 . . . A 99 GLY H . 25439 1 1107 . 1 1 101 101 GLY HA2 H 1 3.657 0.020 . 2 . . . A 99 GLY HA2 . 25439 1 1108 . 1 1 101 101 GLY HA3 H 1 4.326 0.020 . 2 . . . A 99 GLY HA3 . 25439 1 1109 . 1 1 101 101 GLY CA C 13 45.047 0.100 . 1 . . . A 99 GLY CA . 25439 1 1110 . 1 1 101 101 GLY N N 15 116.645 0.100 . 1 . . . A 99 GLY N . 25439 1 1111 . 1 1 102 102 TYR H H 1 8.457 0.020 . 1 . . . A 100 TYR H . 25439 1 1112 . 1 1 102 102 TYR HA H 1 4.704 0.020 . 1 . . . A 100 TYR HA . 25439 1 1113 . 1 1 102 102 TYR HB2 H 1 3.480 0.020 . 1 . . . A 100 TYR HB2 . 25439 1 1114 . 1 1 102 102 TYR HB3 H 1 3.154 0.020 . 1 . . . A 100 TYR HB3 . 25439 1 1115 . 1 1 102 102 TYR HD1 H 1 6.958 0.020 . 1 . . . A 100 TYR HD1 . 25439 1 1116 . 1 1 102 102 TYR HD2 H 1 6.958 0.020 . 1 . . . A 100 TYR HD2 . 25439 1 1117 . 1 1 102 102 TYR HE1 H 1 6.875 0.020 . 1 . . . A 100 TYR HE1 . 25439 1 1118 . 1 1 102 102 TYR HE2 H 1 6.875 0.020 . 1 . . . A 100 TYR HE2 . 25439 1 1119 . 1 1 102 102 TYR CA C 13 57.697 0.100 . 1 . . . A 100 TYR CA . 25439 1 1120 . 1 1 102 102 TYR CB C 13 39.413 0.100 . 1 . . . A 100 TYR CB . 25439 1 1121 . 1 1 102 102 TYR CD1 C 13 133.494 0.100 . 1 . . . A 100 TYR CD1 . 25439 1 1122 . 1 1 102 102 TYR CD2 C 13 133.494 0.100 . 1 . . . A 100 TYR CD2 . 25439 1 1123 . 1 1 102 102 TYR CE1 C 13 117.871 0.100 . 1 . . . A 100 TYR CE1 . 25439 1 1124 . 1 1 102 102 TYR CE2 C 13 117.871 0.100 . 1 . . . A 100 TYR CE2 . 25439 1 1125 . 1 1 102 102 TYR N N 15 120.784 0.100 . 1 . . . A 100 TYR N . 25439 1 1126 . 1 1 103 103 GLU H H 1 9.836 0.020 . 1 . . . A 101 GLU H . 25439 1 1127 . 1 1 103 103 GLU HA H 1 4.601 0.020 . 1 . . . A 101 GLU HA . 25439 1 1128 . 1 1 103 103 GLU HB2 H 1 2.029 0.020 . 1 . . . A 101 GLU HB2 . 25439 1 1129 . 1 1 103 103 GLU HB3 H 1 2.029 0.020 . 1 . . . A 101 GLU HB3 . 25439 1 1130 . 1 1 103 103 GLU CA C 13 61.207 0.100 . 1 . . . A 101 GLU CA . 25439 1 1131 . 1 1 103 103 GLU CB C 13 29.648 0.100 . 1 . . . A 101 GLU CB . 25439 1 1132 . 1 1 103 103 GLU N N 15 119.482 0.100 . 1 . . . A 101 GLU N . 25439 1 1133 . 1 1 104 104 LYS H H 1 8.291 0.020 . 1 . . . A 102 LYS H . 25439 1 1134 . 1 1 104 104 LYS HA H 1 4.295 0.020 . 1 . . . A 102 LYS HA . 25439 1 1135 . 1 1 104 104 LYS HB2 H 1 1.602 0.020 . 1 . . . A 102 LYS HB2 . 25439 1 1136 . 1 1 104 104 LYS HB3 H 1 1.925 0.020 . 1 . . . A 102 LYS HB3 . 25439 1 1137 . 1 1 104 104 LYS HG2 H 1 1.258 0.020 . 2 . . . A 102 LYS HG2 . 25439 1 1138 . 1 1 104 104 LYS HG3 H 1 1.292 0.020 . 2 . . . A 102 LYS HG3 . 25439 1 1139 . 1 1 104 104 LYS HE2 H 1 2.883 0.020 . 1 . . . A 102 LYS HE2 . 25439 1 1140 . 1 1 104 104 LYS HE3 H 1 2.883 0.020 . 1 . . . A 102 LYS HE3 . 25439 1 1141 . 1 1 104 104 LYS CA C 13 54.207 0.100 . 1 . . . A 102 LYS CA . 25439 1 1142 . 1 1 104 104 LYS CB C 13 32.489 0.100 . 1 . . . A 102 LYS CB . 25439 1 1143 . 1 1 104 104 LYS CG C 13 24.919 0.100 . 1 . . . A 102 LYS CG . 25439 1 1144 . 1 1 104 104 LYS CE C 13 42.098 0.100 . 1 . . . A 102 LYS CE . 25439 1 1145 . 1 1 104 104 LYS N N 15 115.179 0.100 . 1 . . . A 102 LYS N . 25439 1 1146 . 1 1 105 105 LEU H H 1 7.642 0.020 . 1 . . . A 103 LEU H . 25439 1 1147 . 1 1 105 105 LEU HA H 1 4.385 0.020 . 1 . . . A 103 LEU HA . 25439 1 1148 . 1 1 105 105 LEU HB2 H 1 1.787 0.020 . 2 . . . A 103 LEU HB2 . 25439 1 1149 . 1 1 105 105 LEU HB3 H 1 2.040 0.020 . 2 . . . A 103 LEU HB3 . 25439 1 1150 . 1 1 105 105 LEU HD11 H 1 1.262 0.020 . 2 . . . A 103 LEU HD11 . 25439 1 1151 . 1 1 105 105 LEU HD12 H 1 1.262 0.020 . 2 . . . A 103 LEU HD12 . 25439 1 1152 . 1 1 105 105 LEU HD13 H 1 1.262 0.020 . 2 . . . A 103 LEU HD13 . 25439 1 1153 . 1 1 105 105 LEU HD21 H 1 0.779 0.020 . 2 . . . A 103 LEU HD21 . 25439 1 1154 . 1 1 105 105 LEU HD22 H 1 0.779 0.020 . 2 . . . A 103 LEU HD22 . 25439 1 1155 . 1 1 105 105 LEU HD23 H 1 0.779 0.020 . 2 . . . A 103 LEU HD23 . 25439 1 1156 . 1 1 105 105 LEU CA C 13 56.549 0.100 . 1 . . . A 103 LEU CA . 25439 1 1157 . 1 1 105 105 LEU CB C 13 43.864 0.100 . 1 . . . A 103 LEU CB . 25439 1 1158 . 1 1 105 105 LEU CD1 C 13 24.592 0.100 . 2 . . . A 103 LEU CD1 . 25439 1 1159 . 1 1 105 105 LEU CD2 C 13 27.395 0.100 . 2 . . . A 103 LEU CD2 . 25439 1 1160 . 1 1 105 105 LEU N N 15 119.637 0.100 . 1 . . . A 103 LEU N . 25439 1 1161 . 1 1 106 106 CYS H H 1 8.638 0.020 . 1 . . . A 104 CYS H . 25439 1 1162 . 1 1 106 106 CYS HA H 1 4.498 0.020 . 1 . . . A 104 CYS HA . 25439 1 1163 . 1 1 106 106 CYS HB2 H 1 3.405 0.020 . 1 . . . A 104 CYS HB2 . 25439 1 1164 . 1 1 106 106 CYS HB3 H 1 3.335 0.020 . 1 . . . A 104 CYS HB3 . 25439 1 1165 . 1 1 106 106 CYS CA C 13 58.076 0.100 . 1 . . . A 104 CYS CA . 25439 1 1166 . 1 1 106 106 CYS CB C 13 32.301 0.100 . 1 . . . A 104 CYS CB . 25439 1 1167 . 1 1 106 106 CYS N N 15 129.651 0.100 . 1 . . . A 104 CYS N . 25439 1 1168 . 1 1 107 107 CYS H H 1 8.158 0.020 . 1 . . . A 105 CYS H . 25439 1 1169 . 1 1 107 107 CYS HA H 1 4.806 0.020 . 1 . . . A 105 CYS HA . 25439 1 1170 . 1 1 107 107 CYS HB2 H 1 3.001 0.020 . 2 . . . A 105 CYS HB2 . 25439 1 1171 . 1 1 107 107 CYS HB3 H 1 3.059 0.020 . 2 . . . A 105 CYS HB3 . 25439 1 1172 . 1 1 107 107 CYS CA C 13 58.271 0.100 . 1 . . . A 105 CYS CA . 25439 1 1173 . 1 1 107 107 CYS CB C 13 32.062 0.100 . 1 . . . A 105 CYS CB . 25439 1 1174 . 1 1 107 107 CYS N N 15 120.206 0.100 . 1 . . . A 105 CYS N . 25439 1 1175 . 1 1 108 108 LEU H H 1 8.466 0.020 . 1 . . . A 106 LEU H . 25439 1 1176 . 1 1 108 108 LEU HA H 1 4.054 0.020 . 1 . . . A 106 LEU HA . 25439 1 1177 . 1 1 108 108 LEU HB2 H 1 1.613 0.020 . 1 . . . A 106 LEU HB2 . 25439 1 1178 . 1 1 108 108 LEU HB3 H 1 1.411 0.020 . 1 . . . A 106 LEU HB3 . 25439 1 1179 . 1 1 108 108 LEU HG H 1 1.505 0.020 . 1 . . . A 106 LEU HG . 25439 1 1180 . 1 1 108 108 LEU HD11 H 1 0.562 0.020 . 2 . . . A 106 LEU HD11 . 25439 1 1181 . 1 1 108 108 LEU HD12 H 1 0.562 0.020 . 2 . . . A 106 LEU HD12 . 25439 1 1182 . 1 1 108 108 LEU HD13 H 1 0.562 0.020 . 2 . . . A 106 LEU HD13 . 25439 1 1183 . 1 1 108 108 LEU HD21 H 1 0.769 0.020 . 2 . . . A 106 LEU HD21 . 25439 1 1184 . 1 1 108 108 LEU HD22 H 1 0.769 0.020 . 2 . . . A 106 LEU HD22 . 25439 1 1185 . 1 1 108 108 LEU HD23 H 1 0.769 0.020 . 2 . . . A 106 LEU HD23 . 25439 1 1186 . 1 1 108 108 LEU CA C 13 56.110 0.100 . 1 . . . A 106 LEU CA . 25439 1 1187 . 1 1 108 108 LEU CB C 13 41.227 0.100 . 1 . . . A 106 LEU CB . 25439 1 1188 . 1 1 108 108 LEU CG C 13 27.311 0.100 . 1 . . . A 106 LEU CG . 25439 1 1189 . 1 1 108 108 LEU CD1 C 13 22.734 0.100 . 1 . . . A 106 LEU CD1 . 25439 1 1190 . 1 1 108 108 LEU CD2 C 13 25.863 0.100 . 2 . . . A 106 LEU CD2 . 25439 1 1191 . 1 1 108 108 LEU N N 15 115.513 0.100 . 1 . . . A 106 LEU N . 25439 1 1192 . 1 1 109 109 ARG H H 1 8.131 0.020 . 1 . . . A 107 ARG H . 25439 1 1193 . 1 1 109 109 ARG HA H 1 3.993 0.020 . 1 . . . A 107 ARG HA . 25439 1 1194 . 1 1 109 109 ARG HB2 H 1 1.955 0.020 . 1 . . . A 107 ARG HB2 . 25439 1 1195 . 1 1 109 109 ARG HB3 H 1 1.981 0.020 . 1 . . . A 107 ARG HB3 . 25439 1 1196 . 1 1 109 109 ARG HD2 H 1 3.167 0.020 . 1 . . . A 107 ARG HD2 . 25439 1 1197 . 1 1 109 109 ARG HD3 H 1 3.167 0.020 . 1 . . . A 107 ARG HD3 . 25439 1 1198 . 1 1 109 109 ARG CA C 13 58.311 0.100 . 1 . . . A 107 ARG CA . 25439 1 1199 . 1 1 109 109 ARG CB C 13 28.965 0.100 . 1 . . . A 107 ARG CB . 25439 1 1200 . 1 1 109 109 ARG CD C 13 42.841 0.100 . 1 . . . A 107 ARG CD . 25439 1 1201 . 1 1 109 109 ARG N N 15 122.711 0.100 . 1 . . . A 107 ARG N . 25439 1 1202 . 1 1 110 110 CYS H H 1 8.010 0.020 . 1 . . . A 108 CYS H . 25439 1 1203 . 1 1 110 110 CYS HA H 1 4.101 0.020 . 1 . . . A 108 CYS HA . 25439 1 1204 . 1 1 110 110 CYS HB2 H 1 3.061 0.020 . 1 . . . A 108 CYS HB2 . 25439 1 1205 . 1 1 110 110 CYS HB3 H 1 2.782 0.020 . 1 . . . A 108 CYS HB3 . 25439 1 1206 . 1 1 110 110 CYS CA C 13 63.936 0.100 . 1 . . . A 108 CYS CA . 25439 1 1207 . 1 1 110 110 CYS CB C 13 30.934 0.100 . 1 . . . A 108 CYS CB . 25439 1 1208 . 1 1 110 110 CYS N N 15 119.055 0.100 . 1 . . . A 108 CYS N . 25439 1 1209 . 1 1 111 111 ILE H H 1 7.105 0.020 . 1 . . . A 109 ILE H . 25439 1 1210 . 1 1 111 111 ILE HA H 1 4.684 0.020 . 1 . . . A 109 ILE HA . 25439 1 1211 . 1 1 111 111 ILE HB H 1 2.474 0.020 . 1 . . . A 109 ILE HB . 25439 1 1212 . 1 1 111 111 ILE HG12 H 1 1.186 0.020 . 2 . . . A 109 ILE HG12 . 25439 1 1213 . 1 1 111 111 ILE HG13 H 1 1.427 0.020 . 2 . . . A 109 ILE HG13 . 25439 1 1214 . 1 1 111 111 ILE HG21 H 1 1.069 0.020 . 1 . . . A 109 ILE HG21 . 25439 1 1215 . 1 1 111 111 ILE HG22 H 1 1.069 0.020 . 1 . . . A 109 ILE HG22 . 25439 1 1216 . 1 1 111 111 ILE HG23 H 1 1.069 0.020 . 1 . . . A 109 ILE HG23 . 25439 1 1217 . 1 1 111 111 ILE HD11 H 1 0.822 0.020 . 1 . . . A 109 ILE HD11 . 25439 1 1218 . 1 1 111 111 ILE HD12 H 1 0.822 0.020 . 1 . . . A 109 ILE HD12 . 25439 1 1219 . 1 1 111 111 ILE HD13 H 1 0.822 0.020 . 1 . . . A 109 ILE HD13 . 25439 1 1220 . 1 1 111 111 ILE CA C 13 60.483 0.100 . 1 . . . A 109 ILE CA . 25439 1 1221 . 1 1 111 111 ILE CB C 13 38.320 0.100 . 1 . . . A 109 ILE CB . 25439 1 1222 . 1 1 111 111 ILE CG1 C 13 26.511 0.100 . 1 . . . A 109 ILE CG1 . 25439 1 1223 . 1 1 111 111 ILE CG2 C 13 20.146 0.100 . 1 . . . A 109 ILE CG2 . 25439 1 1224 . 1 1 111 111 ILE CD1 C 13 15.517 0.100 . 1 . . . A 109 ILE CD1 . 25439 1 1225 . 1 1 111 111 ILE N N 15 107.315 0.100 . 1 . . . A 109 ILE N . 25439 1 1226 . 1 1 112 112 GLN H H 1 7.156 0.020 . 1 . . . A 110 GLN H . 25439 1 1227 . 1 1 112 112 GLN HA H 1 4.268 0.020 . 1 . . . A 110 GLN HA . 25439 1 1228 . 1 1 112 112 GLN HB2 H 1 2.009 0.020 . 1 . . . A 110 GLN HB2 . 25439 1 1229 . 1 1 112 112 GLN HB3 H 1 2.009 0.020 . 1 . . . A 110 GLN HB3 . 25439 1 1230 . 1 1 112 112 GLN HG2 H 1 2.366 0.020 . 2 . . . A 110 GLN HG2 . 25439 1 1231 . 1 1 112 112 GLN HG3 H 1 2.444 0.020 . 2 . . . A 110 GLN HG3 . 25439 1 1232 . 1 1 112 112 GLN HE21 H 1 6.821 0.020 . 2 . . . A 110 GLN HE21 . 25439 1 1233 . 1 1 112 112 GLN HE22 H 1 7.437 0.020 . 2 . . . A 110 GLN HE22 . 25439 1 1234 . 1 1 112 112 GLN CA C 13 55.981 0.100 . 1 . . . A 110 GLN CA . 25439 1 1235 . 1 1 112 112 GLN CB C 13 29.656 0.100 . 1 . . . A 110 GLN CB . 25439 1 1236 . 1 1 112 112 GLN CG C 13 33.952 0.100 . 1 . . . A 110 GLN CG . 25439 1 1237 . 1 1 112 112 GLN N N 15 122.468 0.100 . 1 . . . A 110 GLN N . 25439 1 1238 . 1 1 112 112 GLN NE2 N 15 111.684 0.100 . 1 . . . A 110 GLN NE2 . 25439 1 1239 . 1 1 113 113 LYS H H 1 8.522 0.020 . 1 . . . A 111 LYS H . 25439 1 1240 . 1 1 113 113 LYS HA H 1 4.246 0.020 . 1 . . . A 111 LYS HA . 25439 1 1241 . 1 1 113 113 LYS HB2 H 1 1.692 0.020 . 1 . . . A 111 LYS HB2 . 25439 1 1242 . 1 1 113 113 LYS HB3 H 1 1.692 0.020 . 1 . . . A 111 LYS HB3 . 25439 1 1243 . 1 1 113 113 LYS HE2 H 1 2.994 0.020 . 1 . . . A 111 LYS HE2 . 25439 1 1244 . 1 1 113 113 LYS HE3 H 1 2.994 0.020 . 1 . . . A 111 LYS HE3 . 25439 1 1245 . 1 1 113 113 LYS CA C 13 56.546 0.100 . 1 . . . A 111 LYS CA . 25439 1 1246 . 1 1 113 113 LYS CB C 13 32.846 0.100 . 1 . . . A 111 LYS CB . 25439 1 1247 . 1 1 113 113 LYS CE C 13 42.191 0.100 . 1 . . . A 111 LYS CE . 25439 1 1248 . 1 1 113 113 LYS N N 15 124.650 0.100 . 1 . . . A 111 LYS N . 25439 1 1249 . 1 1 114 114 ASN H H 1 8.360 0.020 . 1 . . . A 112 ASN H . 25439 1 1250 . 1 1 114 114 ASN HA H 1 4.778 0.020 . 1 . . . A 112 ASN HA . 25439 1 1251 . 1 1 114 114 ASN HB2 H 1 2.953 0.020 . 1 . . . A 112 ASN HB2 . 25439 1 1252 . 1 1 114 114 ASN HB3 H 1 2.953 0.020 . 1 . . . A 112 ASN HB3 . 25439 1 1253 . 1 1 114 114 ASN HD21 H 1 6.904 0.020 . 2 . . . A 112 ASN HD21 . 25439 1 1254 . 1 1 114 114 ASN HD22 H 1 7.668 0.020 . 2 . . . A 112 ASN HD22 . 25439 1 1255 . 1 1 114 114 ASN CA C 13 52.902 0.100 . 1 . . . A 112 ASN CA . 25439 1 1256 . 1 1 114 114 ASN CB C 13 39.328 0.100 . 1 . . . A 112 ASN CB . 25439 1 1257 . 1 1 114 114 ASN N N 15 120.972 0.100 . 1 . . . A 112 ASN N . 25439 1 1258 . 1 1 114 114 ASN ND2 N 15 113.563 0.100 . 1 . . . A 112 ASN ND2 . 25439 1 1259 . 1 1 115 115 GLU H H 1 9.023 0.020 . 1 . . . A 113 GLU H . 25439 1 1260 . 1 1 115 115 GLU HA H 1 4.248 0.020 . 1 . . . A 113 GLU HA . 25439 1 1261 . 1 1 115 115 GLU HB2 H 1 2.056 0.020 . 2 . . . A 113 GLU HB2 . 25439 1 1262 . 1 1 115 115 GLU HB3 H 1 2.152 0.020 . 2 . . . A 113 GLU HB3 . 25439 1 1263 . 1 1 115 115 GLU HG2 H 1 2.320 0.020 . 1 . . . A 113 GLU HG2 . 25439 1 1264 . 1 1 115 115 GLU HG3 H 1 2.320 0.020 . 1 . . . A 113 GLU HG3 . 25439 1 1265 . 1 1 115 115 GLU CA C 13 58.611 0.100 . 1 . . . A 113 GLU CA . 25439 1 1266 . 1 1 115 115 GLU CB C 13 29.590 0.100 . 1 . . . A 113 GLU CB . 25439 1 1267 . 1 1 115 115 GLU CG C 13 36.333 0.100 . 1 . . . A 113 GLU CG . 25439 1 1268 . 1 1 115 115 GLU N N 15 121.710 0.100 . 1 . . . A 113 GLU N . 25439 1 1269 . 1 1 116 116 THR H H 1 8.112 0.020 . 1 . . . A 114 THR H . 25439 1 1270 . 1 1 116 116 THR HA H 1 4.321 0.020 . 1 . . . A 114 THR HA . 25439 1 1271 . 1 1 116 116 THR HB H 1 4.308 0.020 . 1 . . . A 114 THR HB . 25439 1 1272 . 1 1 116 116 THR HG21 H 1 1.239 0.020 . 1 . . . A 114 THR HG21 . 25439 1 1273 . 1 1 116 116 THR HG22 H 1 1.239 0.020 . 1 . . . A 114 THR HG22 . 25439 1 1274 . 1 1 116 116 THR HG23 H 1 1.239 0.020 . 1 . . . A 114 THR HG23 . 25439 1 1275 . 1 1 116 116 THR CA C 13 63.161 0.100 . 1 . . . A 114 THR CA . 25439 1 1276 . 1 1 116 116 THR CB C 13 69.481 0.100 . 1 . . . A 114 THR CB . 25439 1 1277 . 1 1 116 116 THR CG2 C 13 21.939 0.100 . 1 . . . A 114 THR CG2 . 25439 1 1278 . 1 1 116 116 THR N N 15 112.186 0.100 . 1 . . . A 114 THR N . 25439 1 1279 . 1 1 117 117 ASN H H 1 8.047 0.020 . 1 . . . A 115 ASN H . 25439 1 1280 . 1 1 117 117 ASN HA H 1 4.829 0.020 . 1 . . . A 115 ASN HA . 25439 1 1281 . 1 1 117 117 ASN HB2 H 1 2.789 0.020 . 2 . . . A 115 ASN HB2 . 25439 1 1282 . 1 1 117 117 ASN HB3 H 1 2.903 0.020 . 2 . . . A 115 ASN HB3 . 25439 1 1283 . 1 1 117 117 ASN HD21 H 1 6.851 0.020 . 2 . . . A 115 ASN HD21 . 25439 1 1284 . 1 1 117 117 ASN HD22 H 1 7.665 0.020 . 2 . . . A 115 ASN HD22 . 25439 1 1285 . 1 1 117 117 ASN CA C 13 53.110 0.100 . 1 . . . A 115 ASN CA . 25439 1 1286 . 1 1 117 117 ASN CB C 13 38.659 0.100 . 1 . . . A 115 ASN CB . 25439 1 1287 . 1 1 117 117 ASN N N 15 119.112 0.100 . 1 . . . A 115 ASN N . 25439 1 1288 . 1 1 117 117 ASN ND2 N 15 112.198 0.100 . 1 . . . A 115 ASN ND2 . 25439 1 1289 . 1 1 118 118 ASN H H 1 8.364 0.020 . 1 . . . A 116 ASN H . 25439 1 1290 . 1 1 118 118 ASN HA H 1 4.615 0.020 . 1 . . . A 116 ASN HA . 25439 1 1291 . 1 1 118 118 ASN HB2 H 1 2.813 0.020 . 2 . . . A 116 ASN HB2 . 25439 1 1292 . 1 1 118 118 ASN HB3 H 1 2.989 0.020 . 2 . . . A 116 ASN HB3 . 25439 1 1293 . 1 1 118 118 ASN HD21 H 1 6.912 0.020 . 2 . . . A 116 ASN HD21 . 25439 1 1294 . 1 1 118 118 ASN HD22 H 1 7.608 0.020 . 2 . . . A 116 ASN HD22 . 25439 1 1295 . 1 1 118 118 ASN CA C 13 53.965 0.100 . 1 . . . A 116 ASN CA . 25439 1 1296 . 1 1 118 118 ASN CB C 13 38.173 0.100 . 1 . . . A 116 ASN CB . 25439 1 1297 . 1 1 118 118 ASN N N 15 117.175 0.100 . 1 . . . A 116 ASN N . 25439 1 1298 . 1 1 118 118 ASN ND2 N 15 112.700 0.100 . 1 . . . A 116 ASN ND2 . 25439 1 1299 . 1 1 119 119 GLY H H 1 8.264 0.020 . 1 . . . A 117 GLY H . 25439 1 1300 . 1 1 119 119 GLY HA2 H 1 3.798 0.020 . 2 . . . A 117 GLY HA2 . 25439 1 1301 . 1 1 119 119 GLY HA3 H 1 4.056 0.020 . 2 . . . A 117 GLY HA3 . 25439 1 1302 . 1 1 119 119 GLY CA C 13 45.882 0.100 . 1 . . . A 117 GLY CA . 25439 1 1303 . 1 1 119 119 GLY N N 15 107.294 0.100 . 1 . . . A 117 GLY N . 25439 1 1304 . 1 1 120 120 SER H H 1 7.905 0.020 . 1 . . . A 118 SER H . 25439 1 1305 . 1 1 120 120 SER HA H 1 4.586 0.020 . 1 . . . A 118 SER HA . 25439 1 1306 . 1 1 120 120 SER HB2 H 1 3.920 0.020 . 1 . . . A 118 SER HB2 . 25439 1 1307 . 1 1 120 120 SER HB3 H 1 3.953 0.020 . 1 . . . A 118 SER HB3 . 25439 1 1308 . 1 1 120 120 SER CA C 13 57.974 0.100 . 1 . . . A 118 SER CA . 25439 1 1309 . 1 1 120 120 SER CB C 13 64.479 0.100 . 1 . . . A 118 SER CB . 25439 1 1310 . 1 1 120 120 SER N N 15 115.475 0.100 . 1 . . . A 118 SER N . 25439 1 1311 . 1 1 121 121 THR H H 1 8.044 0.020 . 1 . . . A 119 THR H . 25439 1 1312 . 1 1 121 121 THR HA H 1 4.450 0.020 . 1 . . . A 119 THR HA . 25439 1 1313 . 1 1 121 121 THR HB H 1 4.569 0.020 . 1 . . . A 119 THR HB . 25439 1 1314 . 1 1 121 121 THR HG21 H 1 1.196 0.020 . 1 . . . A 119 THR HG21 . 25439 1 1315 . 1 1 121 121 THR HG22 H 1 1.196 0.020 . 1 . . . A 119 THR HG22 . 25439 1 1316 . 1 1 121 121 THR HG23 H 1 1.196 0.020 . 1 . . . A 119 THR HG23 . 25439 1 1317 . 1 1 121 121 THR CA C 13 61.215 0.100 . 1 . . . A 119 THR CA . 25439 1 1318 . 1 1 121 121 THR CB C 13 70.569 0.100 . 1 . . . A 119 THR CB . 25439 1 1319 . 1 1 121 121 THR CG2 C 13 22.154 0.100 . 1 . . . A 119 THR CG2 . 25439 1 1320 . 1 1 121 121 THR N N 15 111.360 0.100 . 1 . . . A 119 THR N . 25439 1 1321 . 1 1 122 122 CYS H H 1 8.045 0.020 . 1 . . . A 120 CYS H . 25439 1 1322 . 1 1 122 122 CYS HA H 1 4.255 0.020 . 1 . . . A 120 CYS HA . 25439 1 1323 . 1 1 122 122 CYS HB2 H 1 3.312 0.020 . 1 . . . A 120 CYS HB2 . 25439 1 1324 . 1 1 122 122 CYS HB3 H 1 3.155 0.020 . 1 . . . A 120 CYS HB3 . 25439 1 1325 . 1 1 122 122 CYS CA C 13 61.469 0.100 . 1 . . . A 120 CYS CA . 25439 1 1326 . 1 1 122 122 CYS CB C 13 30.892 0.100 . 1 . . . A 120 CYS CB . 25439 1 1327 . 1 1 122 122 CYS N N 15 122.708 0.100 . 1 . . . A 120 CYS N . 25439 1 1328 . 1 1 123 123 ILE H H 1 8.237 0.020 . 1 . . . A 121 ILE H . 25439 1 1329 . 1 1 123 123 ILE HA H 1 4.025 0.020 . 1 . . . A 121 ILE HA . 25439 1 1330 . 1 1 123 123 ILE HB H 1 1.730 0.020 . 1 . . . A 121 ILE HB . 25439 1 1331 . 1 1 123 123 ILE HG12 H 1 0.912 0.020 . 2 . . . A 121 ILE HG12 . 25439 1 1332 . 1 1 123 123 ILE HG13 H 1 1.331 0.020 . 2 . . . A 121 ILE HG13 . 25439 1 1333 . 1 1 123 123 ILE HG21 H 1 0.601 0.020 . 1 . . . A 121 ILE HG21 . 25439 1 1334 . 1 1 123 123 ILE HG22 H 1 0.601 0.020 . 1 . . . A 121 ILE HG22 . 25439 1 1335 . 1 1 123 123 ILE HG23 H 1 0.601 0.020 . 1 . . . A 121 ILE HG23 . 25439 1 1336 . 1 1 123 123 ILE HD11 H 1 0.827 0.020 . 1 . . . A 121 ILE HD11 . 25439 1 1337 . 1 1 123 123 ILE HD12 H 1 0.827 0.020 . 1 . . . A 121 ILE HD12 . 25439 1 1338 . 1 1 123 123 ILE HD13 H 1 0.827 0.020 . 1 . . . A 121 ILE HD13 . 25439 1 1339 . 1 1 123 123 ILE CA C 13 63.353 0.100 . 1 . . . A 121 ILE CA . 25439 1 1340 . 1 1 123 123 ILE CB C 13 38.222 0.100 . 1 . . . A 121 ILE CB . 25439 1 1341 . 1 1 123 123 ILE CG1 C 13 28.716 0.100 . 1 . . . A 121 ILE CG1 . 25439 1 1342 . 1 1 123 123 ILE CG2 C 13 17.753 0.100 . 1 . . . A 121 ILE CG2 . 25439 1 1343 . 1 1 123 123 ILE CD1 C 13 13.979 0.100 . 1 . . . A 121 ILE CD1 . 25439 1 1344 . 1 1 123 123 ILE N N 15 132.463 0.100 . 1 . . . A 121 ILE N . 25439 1 1345 . 1 1 124 124 CYS H H 1 9.355 0.020 . 1 . . . A 122 CYS H . 25439 1 1346 . 1 1 124 124 CYS HA H 1 4.233 0.020 . 1 . . . A 122 CYS HA . 25439 1 1347 . 1 1 124 124 CYS HB2 H 1 3.844 0.020 . 1 . . . A 122 CYS HB2 . 25439 1 1348 . 1 1 124 124 CYS HB3 H 1 2.976 0.020 . 1 . . . A 122 CYS HB3 . 25439 1 1349 . 1 1 124 124 CYS CA C 13 60.230 0.100 . 1 . . . A 122 CYS CA . 25439 1 1350 . 1 1 124 124 CYS CB C 13 30.602 0.100 . 1 . . . A 122 CYS CB . 25439 1 1351 . 1 1 124 124 CYS N N 15 123.931 0.100 . 1 . . . A 122 CYS N . 25439 1 1352 . 1 1 125 125 ARG H H 1 7.677 0.020 . 1 . . . A 123 ARG H . 25439 1 1353 . 1 1 125 125 ARG HA H 1 4.150 0.020 . 1 . . . A 123 ARG HA . 25439 1 1354 . 1 1 125 125 ARG HB2 H 1 1.959 0.020 . 1 . . . A 123 ARG HB2 . 25439 1 1355 . 1 1 125 125 ARG HB3 H 1 1.959 0.020 . 1 . . . A 123 ARG HB3 . 25439 1 1356 . 1 1 125 125 ARG CA C 13 53.177 0.100 . 1 . . . A 123 ARG CA . 25439 1 1357 . 1 1 125 125 ARG CB C 13 27.961 0.100 . 1 . . . A 123 ARG CB . 25439 1 1358 . 1 1 125 125 ARG N N 15 119.561 0.100 . 1 . . . A 123 ARG N . 25439 1 1359 . 1 1 126 126 VAL H H 1 7.578 0.020 . 1 . . . A 124 VAL H . 25439 1 1360 . 1 1 126 126 VAL HA H 1 4.081 0.020 . 1 . . . A 124 VAL HA . 25439 1 1361 . 1 1 126 126 VAL HB H 1 2.025 0.020 . 1 . . . A 124 VAL HB . 25439 1 1362 . 1 1 126 126 VAL HG11 H 1 0.989 0.020 . 2 . . . A 124 VAL HG11 . 25439 1 1363 . 1 1 126 126 VAL HG12 H 1 0.989 0.020 . 2 . . . A 124 VAL HG12 . 25439 1 1364 . 1 1 126 126 VAL HG13 H 1 0.989 0.020 . 2 . . . A 124 VAL HG13 . 25439 1 1365 . 1 1 126 126 VAL HG21 H 1 0.949 0.020 . 2 . . . A 124 VAL HG21 . 25439 1 1366 . 1 1 126 126 VAL HG22 H 1 0.949 0.020 . 2 . . . A 124 VAL HG22 . 25439 1 1367 . 1 1 126 126 VAL HG23 H 1 0.949 0.020 . 2 . . . A 124 VAL HG23 . 25439 1 1368 . 1 1 126 126 VAL CA C 13 60.647 0.100 . 1 . . . A 124 VAL CA . 25439 1 1369 . 1 1 126 126 VAL CB C 13 32.857 0.100 . 1 . . . A 124 VAL CB . 25439 1 1370 . 1 1 126 126 VAL CG1 C 13 20.589 0.100 . 2 . . . A 124 VAL CG1 . 25439 1 1371 . 1 1 126 126 VAL CG2 C 13 22.336 0.100 . 2 . . . A 124 VAL CG2 . 25439 1 1372 . 1 1 126 126 VAL N N 15 122.794 0.100 . 1 . . . A 124 VAL N . 25439 1 1373 . 1 1 127 127 PRO HA H 1 4.263 0.020 . 1 . . . A 125 PRO HA . 25439 1 1374 . 1 1 127 127 PRO HB2 H 1 1.844 0.020 . 2 . . . A 125 PRO HB2 . 25439 1 1375 . 1 1 127 127 PRO HB3 H 1 2.437 0.020 . 2 . . . A 125 PRO HB3 . 25439 1 1376 . 1 1 127 127 PRO HG2 H 1 1.895 0.020 . 2 . . . A 125 PRO HG2 . 25439 1 1377 . 1 1 127 127 PRO HG3 H 1 2.141 0.020 . 2 . . . A 125 PRO HG3 . 25439 1 1378 . 1 1 127 127 PRO HD2 H 1 3.589 0.020 . 2 . . . A 125 PRO HD2 . 25439 1 1379 . 1 1 127 127 PRO HD3 H 1 4.052 0.020 . 2 . . . A 125 PRO HD3 . 25439 1 1380 . 1 1 127 127 PRO CA C 13 63.268 0.100 . 1 . . . A 125 PRO CA . 25439 1 1381 . 1 1 127 127 PRO CB C 13 32.379 0.100 . 1 . . . A 125 PRO CB . 25439 1 1382 . 1 1 127 127 PRO CG C 13 28.333 0.100 . 1 . . . A 125 PRO CG . 25439 1 1383 . 1 1 127 127 PRO CD C 13 51.088 0.100 . 1 . . . A 125 PRO CD . 25439 1 1384 . 1 1 128 128 ARG H H 1 9.534 0.020 . 1 . . . A 126 ARG H . 25439 1 1385 . 1 1 128 128 ARG HA H 1 3.912 0.020 . 1 . . . A 126 ARG HA . 25439 1 1386 . 1 1 128 128 ARG HB2 H 1 1.952 0.020 . 2 . . . A 126 ARG HB2 . 25439 1 1387 . 1 1 128 128 ARG HB3 H 1 2.080 0.020 . 2 . . . A 126 ARG HB3 . 25439 1 1388 . 1 1 128 128 ARG HD2 H 1 3.330 0.020 . 1 . . . A 126 ARG HD2 . 25439 1 1389 . 1 1 128 128 ARG HD3 H 1 3.330 0.020 . 1 . . . A 126 ARG HD3 . 25439 1 1390 . 1 1 128 128 ARG CA C 13 59.653 0.100 . 1 . . . A 126 ARG CA . 25439 1 1391 . 1 1 128 128 ARG CB C 13 29.339 0.100 . 1 . . . A 126 ARG CB . 25439 1 1392 . 1 1 128 128 ARG CD C 13 43.057 0.100 . 1 . . . A 126 ARG CD . 25439 1 1393 . 1 1 128 128 ARG N N 15 128.350 0.100 . 1 . . . A 126 ARG N . 25439 1 1394 . 1 1 129 129 ALA H H 1 9.263 0.020 . 1 . . . A 127 ALA H . 25439 1 1395 . 1 1 129 129 ALA HA H 1 4.192 0.020 . 1 . . . A 127 ALA HA . 25439 1 1396 . 1 1 129 129 ALA HB1 H 1 1.451 0.020 . 1 . . . A 127 ALA HB1 . 25439 1 1397 . 1 1 129 129 ALA HB2 H 1 1.451 0.020 . 1 . . . A 127 ALA HB2 . 25439 1 1398 . 1 1 129 129 ALA HB3 H 1 1.451 0.020 . 1 . . . A 127 ALA HB3 . 25439 1 1399 . 1 1 129 129 ALA CA C 13 55.227 0.100 . 1 . . . A 127 ALA CA . 25439 1 1400 . 1 1 129 129 ALA CB C 13 18.363 0.100 . 1 . . . A 127 ALA CB . 25439 1 1401 . 1 1 129 129 ALA N N 15 119.169 0.100 . 1 . . . A 127 ALA N . 25439 1 1402 . 1 1 130 130 GLN H H 1 7.448 0.020 . 1 . . . A 128 GLN H . 25439 1 1403 . 1 1 130 130 GLN HA H 1 4.209 0.020 . 1 . . . A 128 GLN HA . 25439 1 1404 . 1 1 130 130 GLN HB2 H 1 2.134 0.020 . 1 . . . A 128 GLN HB2 . 25439 1 1405 . 1 1 130 130 GLN HB3 H 1 2.134 0.020 . 1 . . . A 128 GLN HB3 . 25439 1 1406 . 1 1 130 130 GLN HG2 H 1 2.295 0.020 . 2 . . . A 128 GLN HG2 . 25439 1 1407 . 1 1 130 130 GLN HG3 H 1 2.444 0.020 . 2 . . . A 128 GLN HG3 . 25439 1 1408 . 1 1 130 130 GLN HE21 H 1 6.786 0.020 . 2 . . . A 128 GLN HE21 . 25439 1 1409 . 1 1 130 130 GLN HE22 H 1 7.711 0.020 . 2 . . . A 128 GLN HE22 . 25439 1 1410 . 1 1 130 130 GLN CA C 13 58.506 0.100 . 1 . . . A 128 GLN CA . 25439 1 1411 . 1 1 130 130 GLN CB C 13 28.220 0.100 . 1 . . . A 128 GLN CB . 25439 1 1412 . 1 1 130 130 GLN CG C 13 33.743 0.100 . 1 . . . A 128 GLN CG . 25439 1 1413 . 1 1 130 130 GLN N N 15 117.345 0.100 . 1 . . . A 128 GLN N . 25439 1 1414 . 1 1 130 130 GLN NE2 N 15 111.737 0.100 . 1 . . . A 128 GLN NE2 . 25439 1 1415 . 1 1 131 131 LEU H H 1 7.622 0.020 . 1 . . . A 129 LEU H . 25439 1 1416 . 1 1 131 131 LEU HA H 1 4.088 0.020 . 1 . . . A 129 LEU HA . 25439 1 1417 . 1 1 131 131 LEU HB2 H 1 2.036 0.020 . 1 . . . A 129 LEU HB2 . 25439 1 1418 . 1 1 131 131 LEU HB3 H 1 1.588 0.020 . 1 . . . A 129 LEU HB3 . 25439 1 1419 . 1 1 131 131 LEU HG H 1 1.628 0.020 . 1 . . . A 129 LEU HG . 25439 1 1420 . 1 1 131 131 LEU HD11 H 1 0.855 0.020 . 2 . . . A 129 LEU HD11 . 25439 1 1421 . 1 1 131 131 LEU HD12 H 1 0.855 0.020 . 2 . . . A 129 LEU HD12 . 25439 1 1422 . 1 1 131 131 LEU HD13 H 1 0.855 0.020 . 2 . . . A 129 LEU HD13 . 25439 1 1423 . 1 1 131 131 LEU HD21 H 1 0.929 0.020 . 2 . . . A 129 LEU HD21 . 25439 1 1424 . 1 1 131 131 LEU HD22 H 1 0.929 0.020 . 2 . . . A 129 LEU HD22 . 25439 1 1425 . 1 1 131 131 LEU HD23 H 1 0.929 0.020 . 2 . . . A 129 LEU HD23 . 25439 1 1426 . 1 1 131 131 LEU CA C 13 57.952 0.100 . 1 . . . A 129 LEU CA . 25439 1 1427 . 1 1 131 131 LEU CB C 13 41.817 0.100 . 1 . . . A 129 LEU CB . 25439 1 1428 . 1 1 131 131 LEU CG C 13 26.149 0.100 . 1 . . . A 129 LEU CG . 25439 1 1429 . 1 1 131 131 LEU CD1 C 13 23.003 0.100 . 2 . . . A 129 LEU CD1 . 25439 1 1430 . 1 1 131 131 LEU CD2 C 13 26.000 0.100 . 2 . . . A 129 LEU CD2 . 25439 1 1431 . 1 1 131 131 LEU N N 15 120.561 0.100 . 1 . . . A 129 LEU N . 25439 1 1432 . 1 1 132 132 GLU H H 1 8.656 0.020 . 1 . . . A 130 GLU H . 25439 1 1433 . 1 1 132 132 GLU HA H 1 3.956 0.020 . 1 . . . A 130 GLU HA . 25439 1 1434 . 1 1 132 132 GLU HB2 H 1 2.141 0.020 . 1 . . . A 130 GLU HB2 . 25439 1 1435 . 1 1 132 132 GLU HB3 H 1 2.141 0.020 . 1 . . . A 130 GLU HB3 . 25439 1 1436 . 1 1 132 132 GLU HG2 H 1 2.307 0.020 . 2 . . . A 130 GLU HG2 . 25439 1 1437 . 1 1 132 132 GLU HG3 H 1 2.500 0.020 . 2 . . . A 130 GLU HG3 . 25439 1 1438 . 1 1 132 132 GLU CA C 13 59.353 0.100 . 1 . . . A 130 GLU CA . 25439 1 1439 . 1 1 132 132 GLU CB C 13 29.337 0.100 . 1 . . . A 130 GLU CB . 25439 1 1440 . 1 1 132 132 GLU CG C 13 36.659 0.100 . 1 . . . A 130 GLU CG . 25439 1 1441 . 1 1 132 132 GLU N N 15 119.122 0.100 . 1 . . . A 130 GLU N . 25439 1 1442 . 1 1 133 133 GLU H H 1 7.922 0.020 . 1 . . . A 131 GLU H . 25439 1 1443 . 1 1 133 133 GLU HA H 1 4.163 0.020 . 1 . . . A 131 GLU HA . 25439 1 1444 . 1 1 133 133 GLU HB2 H 1 2.105 0.020 . 2 . . . A 131 GLU HB2 . 25439 1 1445 . 1 1 133 133 GLU HB3 H 1 2.222 0.020 . 2 . . . A 131 GLU HB3 . 25439 1 1446 . 1 1 133 133 GLU HG2 H 1 2.335 0.020 . 1 . . . A 131 GLU HG2 . 25439 1 1447 . 1 1 133 133 GLU HG3 H 1 2.335 0.020 . 1 . . . A 131 GLU HG3 . 25439 1 1448 . 1 1 133 133 GLU CA C 13 59.288 0.100 . 1 . . . A 131 GLU CA . 25439 1 1449 . 1 1 133 133 GLU CB C 13 29.422 0.100 . 1 . . . A 131 GLU CB . 25439 1 1450 . 1 1 133 133 GLU CG C 13 35.808 0.100 . 1 . . . A 131 GLU CG . 25439 1 1451 . 1 1 133 133 GLU N N 15 121.469 0.100 . 1 . . . A 131 GLU N . 25439 1 1452 . 1 1 134 134 GLU H H 1 8.099 0.020 . 1 . . . A 132 GLU H . 25439 1 1453 . 1 1 134 134 GLU HA H 1 3.998 0.020 . 1 . . . A 132 GLU HA . 25439 1 1454 . 1 1 134 134 GLU HB2 H 1 2.094 0.020 . 1 . . . A 132 GLU HB2 . 25439 1 1455 . 1 1 134 134 GLU HB3 H 1 2.094 0.020 . 1 . . . A 132 GLU HB3 . 25439 1 1456 . 1 1 134 134 GLU HG2 H 1 2.284 0.020 . 2 . . . A 132 GLU HG2 . 25439 1 1457 . 1 1 134 134 GLU HG3 H 1 2.445 0.020 . 2 . . . A 132 GLU HG3 . 25439 1 1458 . 1 1 134 134 GLU CA C 13 59.327 0.100 . 1 . . . A 132 GLU CA . 25439 1 1459 . 1 1 134 134 GLU CB C 13 29.421 0.100 . 1 . . . A 132 GLU CB . 25439 1 1460 . 1 1 134 134 GLU CG C 13 36.467 0.100 . 1 . . . A 132 GLU CG . 25439 1 1461 . 1 1 134 134 GLU N N 15 119.241 0.100 . 1 . . . A 132 GLU N . 25439 1 1462 . 1 1 135 135 ALA H H 1 7.795 0.020 . 1 . . . A 133 ALA H . 25439 1 1463 . 1 1 135 135 ALA HA H 1 4.053 0.020 . 1 . . . A 133 ALA HA . 25439 1 1464 . 1 1 135 135 ALA HB1 H 1 1.355 0.020 . 1 . . . A 133 ALA HB1 . 25439 1 1465 . 1 1 135 135 ALA HB2 H 1 1.355 0.020 . 1 . . . A 133 ALA HB2 . 25439 1 1466 . 1 1 135 135 ALA HB3 H 1 1.355 0.020 . 1 . . . A 133 ALA HB3 . 25439 1 1467 . 1 1 135 135 ALA CA C 13 54.973 0.100 . 1 . . . A 133 ALA CA . 25439 1 1468 . 1 1 135 135 ALA CB C 13 18.154 0.100 . 1 . . . A 133 ALA CB . 25439 1 1469 . 1 1 135 135 ALA N N 15 121.302 0.100 . 1 . . . A 133 ALA N . 25439 1 1470 . 1 1 136 136 ARG H H 1 8.145 0.020 . 1 . . . A 134 ARG H . 25439 1 1471 . 1 1 136 136 ARG HA H 1 4.143 0.020 . 1 . . . A 134 ARG HA . 25439 1 1472 . 1 1 136 136 ARG HB2 H 1 1.981 0.020 . 2 . . . A 134 ARG HB2 . 25439 1 1473 . 1 1 136 136 ARG HB3 H 1 2.035 0.020 . 2 . . . A 134 ARG HB3 . 25439 1 1474 . 1 1 136 136 ARG HD2 H 1 3.283 0.020 . 1 . . . A 134 ARG HD2 . 25439 1 1475 . 1 1 136 136 ARG HD3 H 1 3.283 0.020 . 1 . . . A 134 ARG HD3 . 25439 1 1476 . 1 1 136 136 ARG CA C 13 59.438 0.100 . 1 . . . A 134 ARG CA . 25439 1 1477 . 1 1 136 136 ARG CB C 13 30.148 0.100 . 1 . . . A 134 ARG CB . 25439 1 1478 . 1 1 136 136 ARG CD C 13 43.422 0.100 . 1 . . . A 134 ARG CD . 25439 1 1479 . 1 1 136 136 ARG N N 15 118.757 0.100 . 1 . . . A 134 ARG N . 25439 1 1480 . 1 1 137 137 LYS H H 1 8.036 0.020 . 1 . . . A 135 LYS H . 25439 1 1481 . 1 1 137 137 LYS HA H 1 4.073 0.020 . 1 . . . A 135 LYS HA . 25439 1 1482 . 1 1 137 137 LYS HB2 H 1 1.963 0.020 . 1 . . . A 135 LYS HB2 . 25439 1 1483 . 1 1 137 137 LYS HB3 H 1 1.963 0.020 . 1 . . . A 135 LYS HB3 . 25439 1 1484 . 1 1 137 137 LYS HG2 H 1 1.493 0.020 . 2 . . . A 135 LYS HG2 . 25439 1 1485 . 1 1 137 137 LYS HG3 H 1 1.688 0.020 . 2 . . . A 135 LYS HG3 . 25439 1 1486 . 1 1 137 137 LYS HE2 H 1 2.977 0.020 . 1 . . . A 135 LYS HE2 . 25439 1 1487 . 1 1 137 137 LYS HE3 H 1 2.977 0.020 . 1 . . . A 135 LYS HE3 . 25439 1 1488 . 1 1 137 137 LYS CA C 13 59.327 0.100 . 1 . . . A 135 LYS CA . 25439 1 1489 . 1 1 137 137 LYS CB C 13 32.539 0.100 . 1 . . . A 135 LYS CB . 25439 1 1490 . 1 1 137 137 LYS CG C 13 25.623 0.100 . 1 . . . A 135 LYS CG . 25439 1 1491 . 1 1 137 137 LYS CE C 13 42.096 0.100 . 1 . . . A 135 LYS CE . 25439 1 1492 . 1 1 137 137 LYS N N 15 119.496 0.100 . 1 . . . A 135 LYS N . 25439 1 1493 . 1 1 138 138 LYS H H 1 7.682 0.020 . 1 . . . A 136 LYS H . 25439 1 1494 . 1 1 138 138 LYS HA H 1 4.362 0.020 . 1 . . . A 136 LYS HA . 25439 1 1495 . 1 1 138 138 LYS HB2 H 1 1.882 0.020 . 2 . . . A 136 LYS HB2 . 25439 1 1496 . 1 1 138 138 LYS HB3 H 1 2.002 0.020 . 2 . . . A 136 LYS HB3 . 25439 1 1497 . 1 1 138 138 LYS HG2 H 1 1.494 0.020 . 2 . . . A 136 LYS HG2 . 25439 1 1498 . 1 1 138 138 LYS HG3 H 1 1.628 0.020 . 2 . . . A 136 LYS HG3 . 25439 1 1499 . 1 1 138 138 LYS HE2 H 1 2.982 0.020 . 1 . . . A 136 LYS HE2 . 25439 1 1500 . 1 1 138 138 LYS HE3 H 1 2.982 0.020 . 1 . . . A 136 LYS HE3 . 25439 1 1501 . 1 1 138 138 LYS CA C 13 56.575 0.100 . 1 . . . A 136 LYS CA . 25439 1 1502 . 1 1 138 138 LYS CB C 13 33.629 0.100 . 1 . . . A 136 LYS CB . 25439 1 1503 . 1 1 138 138 LYS CG C 13 25.519 0.100 . 1 . . . A 136 LYS CG . 25439 1 1504 . 1 1 138 138 LYS CE C 13 42.207 0.100 . 1 . . . A 136 LYS CE . 25439 1 1505 . 1 1 138 138 LYS N N 15 116.645 0.100 . 1 . . . A 136 LYS N . 25439 1 1506 . 1 1 139 139 GLY H H 1 8.064 0.020 . 1 . . . A 137 GLY H . 25439 1 1507 . 1 1 139 139 GLY HA2 H 1 3.960 0.020 . 2 . . . A 137 GLY HA2 . 25439 1 1508 . 1 1 139 139 GLY HA3 H 1 4.093 0.020 . 2 . . . A 137 GLY HA3 . 25439 1 1509 . 1 1 139 139 GLY CA C 13 46.358 0.100 . 1 . . . A 137 GLY CA . 25439 1 1510 . 1 1 139 139 GLY N N 15 109.349 0.100 . 1 . . . A 137 GLY N . 25439 1 1511 . 1 1 140 140 THR H H 1 8.111 0.020 . 1 . . . A 138 THR H . 25439 1 1512 . 1 1 140 140 THR HA H 1 4.735 0.020 . 1 . . . A 138 THR HA . 25439 1 1513 . 1 1 140 140 THR HB H 1 4.211 0.020 . 1 . . . A 138 THR HB . 25439 1 1514 . 1 1 140 140 THR HG21 H 1 1.155 0.020 . 1 . . . A 138 THR HG21 . 25439 1 1515 . 1 1 140 140 THR HG22 H 1 1.155 0.020 . 1 . . . A 138 THR HG22 . 25439 1 1516 . 1 1 140 140 THR HG23 H 1 1.155 0.020 . 1 . . . A 138 THR HG23 . 25439 1 1517 . 1 1 140 140 THR CA C 13 59.308 0.100 . 1 . . . A 138 THR CA . 25439 1 1518 . 1 1 140 140 THR CB C 13 70.755 0.100 . 1 . . . A 138 THR CB . 25439 1 1519 . 1 1 140 140 THR CG2 C 13 20.543 0.100 . 1 . . . A 138 THR CG2 . 25439 1 1520 . 1 1 140 140 THR N N 15 112.870 0.100 . 1 . . . A 138 THR N . 25439 1 1521 . 1 1 141 141 GLN H H 1 8.227 0.020 . 1 . . . A 139 GLN H . 25439 1 1522 . 1 1 141 141 GLN HA H 1 4.609 0.020 . 1 . . . A 139 GLN HA . 25439 1 1523 . 1 1 141 141 GLN HB2 H 1 1.911 0.020 . 1 . . . A 139 GLN HB2 . 25439 1 1524 . 1 1 141 141 GLN HB3 H 1 2.102 0.020 . 1 . . . A 139 GLN HB3 . 25439 1 1525 . 1 1 141 141 GLN HG2 H 1 2.366 0.020 . 1 . . . A 139 GLN HG2 . 25439 1 1526 . 1 1 141 141 GLN HG3 H 1 2.366 0.020 . 1 . . . A 139 GLN HG3 . 25439 1 1527 . 1 1 141 141 GLN HE21 H 1 6.874 0.020 . 2 . . . A 139 GLN HE21 . 25439 1 1528 . 1 1 141 141 GLN HE22 H 1 7.558 0.020 . 2 . . . A 139 GLN HE22 . 25439 1 1529 . 1 1 141 141 GLN CA C 13 54.435 0.100 . 1 . . . A 139 GLN CA . 25439 1 1530 . 1 1 141 141 GLN CB C 13 30.777 0.100 . 1 . . . A 139 GLN CB . 25439 1 1531 . 1 1 141 141 GLN CG C 13 33.918 0.100 . 1 . . . A 139 GLN CG . 25439 1 1532 . 1 1 141 141 GLN N N 15 118.177 0.100 . 1 . . . A 139 GLN N . 25439 1 1533 . 1 1 141 141 GLN NE2 N 15 112.824 0.100 . 1 . . . A 139 GLN NE2 . 25439 1 1534 . 1 1 142 142 VAL H H 1 8.839 0.020 . 1 . . . A 140 VAL H . 25439 1 1535 . 1 1 142 142 VAL HA H 1 3.790 0.020 . 1 . . . A 140 VAL HA . 25439 1 1536 . 1 1 142 142 VAL HB H 1 2.144 0.020 . 1 . . . A 140 VAL HB . 25439 1 1537 . 1 1 142 142 VAL HG11 H 1 1.043 0.020 . 2 . . . A 140 VAL HG11 . 25439 1 1538 . 1 1 142 142 VAL HG12 H 1 1.043 0.020 . 2 . . . A 140 VAL HG12 . 25439 1 1539 . 1 1 142 142 VAL HG13 H 1 1.043 0.020 . 2 . . . A 140 VAL HG13 . 25439 1 1540 . 1 1 142 142 VAL HG21 H 1 0.935 0.020 . 2 . . . A 140 VAL HG21 . 25439 1 1541 . 1 1 142 142 VAL HG22 H 1 0.935 0.020 . 2 . . . A 140 VAL HG22 . 25439 1 1542 . 1 1 142 142 VAL HG23 H 1 0.935 0.020 . 2 . . . A 140 VAL HG23 . 25439 1 1543 . 1 1 142 142 VAL CA C 13 63.934 0.100 . 1 . . . A 140 VAL CA . 25439 1 1544 . 1 1 142 142 VAL CB C 13 32.154 0.100 . 1 . . . A 140 VAL CB . 25439 1 1545 . 1 1 142 142 VAL CG1 C 13 21.912 0.100 . 2 . . . A 140 VAL CG1 . 25439 1 1546 . 1 1 142 142 VAL CG2 C 13 22.969 0.100 . 2 . . . A 140 VAL CG2 . 25439 1 1547 . 1 1 142 142 VAL N N 15 123.601 0.100 . 1 . . . A 140 VAL N . 25439 1 1548 . 1 1 143 143 SER HA H 1 4.524 0.020 . 1 . . . A 141 SER HA . 25439 1 1549 . 1 1 143 143 SER HB2 H 1 3.794 0.020 . 2 . . . A 141 SER HB2 . 25439 1 1550 . 1 1 143 143 SER HB3 H 1 3.944 0.020 . 2 . . . A 141 SER HB3 . 25439 1 1551 . 1 1 143 143 SER CA C 13 57.841 0.100 . 1 . . . A 141 SER CA . 25439 1 1552 . 1 1 143 143 SER CB C 13 64.174 0.100 . 1 . . . A 141 SER CB . 25439 1 1553 . 1 1 144 144 PHE H H 1 7.534 0.020 . 1 . . . A 142 PHE H . 25439 1 1554 . 1 1 144 144 PHE HA H 1 4.458 0.020 . 1 . . . A 142 PHE HA . 25439 1 1555 . 1 1 144 144 PHE HB2 H 1 2.610 0.020 . 1 . . . A 142 PHE HB2 . 25439 1 1556 . 1 1 144 144 PHE HB3 H 1 3.190 0.020 . 1 . . . A 142 PHE HB3 . 25439 1 1557 . 1 1 144 144 PHE HD1 H 1 7.060 0.020 . 1 . . . A 142 PHE HD1 . 25439 1 1558 . 1 1 144 144 PHE HD2 H 1 7.060 0.020 . 1 . . . A 142 PHE HD2 . 25439 1 1559 . 1 1 144 144 PHE HE1 H 1 6.891 0.020 . 1 . . . A 142 PHE HE1 . 25439 1 1560 . 1 1 144 144 PHE HE2 H 1 6.891 0.020 . 1 . . . A 142 PHE HE2 . 25439 1 1561 . 1 1 144 144 PHE HZ H 1 7.114 0.020 . 1 . . . A 142 PHE HZ . 25439 1 1562 . 1 1 144 144 PHE CA C 13 58.673 0.100 . 1 . . . A 142 PHE CA . 25439 1 1563 . 1 1 144 144 PHE CB C 13 40.055 0.100 . 1 . . . A 142 PHE CB . 25439 1 1564 . 1 1 144 144 PHE CD1 C 13 132.069 0.100 . 1 . . . A 142 PHE CD1 . 25439 1 1565 . 1 1 144 144 PHE CD2 C 13 132.069 0.100 . 1 . . . A 142 PHE CD2 . 25439 1 1566 . 1 1 144 144 PHE CE1 C 13 130.898 0.100 . 1 . . . A 142 PHE CE1 . 25439 1 1567 . 1 1 144 144 PHE CE2 C 13 130.898 0.100 . 1 . . . A 142 PHE CE2 . 25439 1 1568 . 1 1 144 144 PHE CZ C 13 128.952 0.100 . 1 . . . A 142 PHE CZ . 25439 1 1569 . 1 1 144 144 PHE N N 15 123.726 0.100 . 1 . . . A 142 PHE N . 25439 1 1570 . 1 1 145 145 HIS H H 1 8.308 0.020 . 1 . . . A 143 HIS H . 25439 1 1571 . 1 1 145 145 HIS HA H 1 4.336 0.020 . 1 . . . A 143 HIS HA . 25439 1 1572 . 1 1 145 145 HIS HB2 H 1 2.880 0.020 . 2 . . . A 143 HIS HB2 . 25439 1 1573 . 1 1 145 145 HIS HB3 H 1 2.999 0.020 . 2 . . . A 143 HIS HB3 . 25439 1 1574 . 1 1 145 145 HIS HD2 H 1 6.997 0.020 . 1 . . . A 143 HIS HD2 . 25439 1 1575 . 1 1 145 145 HIS HE1 H 1 7.939 0.020 . 1 . . . A 143 HIS HE1 . 25439 1 1576 . 1 1 145 145 HIS CA C 13 56.837 0.100 . 1 . . . A 143 HIS CA . 25439 1 1577 . 1 1 145 145 HIS CB C 13 31.949 0.100 . 1 . . . A 143 HIS CB . 25439 1 1578 . 1 1 145 145 HIS CD2 C 13 120.415 0.100 . 1 . . . A 143 HIS CD2 . 25439 1 1579 . 1 1 145 145 HIS CE1 C 13 137.908 0.100 . 1 . . . A 143 HIS CE1 . 25439 1 1580 . 1 1 145 145 HIS N N 15 126.548 0.100 . 1 . . . A 143 HIS N . 25439 1 1581 . 1 1 146 146 GLN H H 1 7.203 0.020 . 1 . . . A 144 GLN H . 25439 1 1582 . 1 1 146 146 GLN HA H 1 4.433 0.020 . 1 . . . A 144 GLN HA . 25439 1 1583 . 1 1 146 146 GLN HB2 H 1 1.243 0.020 . 2 . . . A 144 GLN HB2 . 25439 1 1584 . 1 1 146 146 GLN HB3 H 1 1.441 0.020 . 2 . . . A 144 GLN HB3 . 25439 1 1585 . 1 1 146 146 GLN HG2 H 1 1.657 0.020 . 2 . . . A 144 GLN HG2 . 25439 1 1586 . 1 1 146 146 GLN HG3 H 1 1.862 0.020 . 2 . . . A 144 GLN HG3 . 25439 1 1587 . 1 1 146 146 GLN HE21 H 1 7.080 0.020 . 2 . . . A 144 GLN HE21 . 25439 1 1588 . 1 1 146 146 GLN HE22 H 1 7.673 0.020 . 2 . . . A 144 GLN HE22 . 25439 1 1589 . 1 1 146 146 GLN CA C 13 54.210 0.100 . 1 . . . A 144 GLN CA . 25439 1 1590 . 1 1 146 146 GLN CB C 13 32.925 0.100 . 1 . . . A 144 GLN CB . 25439 1 1591 . 1 1 146 146 GLN CG C 13 35.009 0.100 . 1 . . . A 144 GLN CG . 25439 1 1592 . 1 1 146 146 GLN N N 15 115.094 0.100 . 1 . . . A 144 GLN N . 25439 1 1593 . 1 1 146 146 GLN NE2 N 15 113.061 0.100 . 1 . . . A 144 GLN NE2 . 25439 1 1594 . 1 1 147 147 CYS H H 1 8.668 0.020 . 1 . . . A 145 CYS H . 25439 1 1595 . 1 1 147 147 CYS HA H 1 4.961 0.020 . 1 . . . A 145 CYS HA . 25439 1 1596 . 1 1 147 147 CYS HB2 H 1 3.504 0.020 . 1 . . . A 145 CYS HB2 . 25439 1 1597 . 1 1 147 147 CYS HB3 H 1 3.079 0.020 . 1 . . . A 145 CYS HB3 . 25439 1 1598 . 1 1 147 147 CYS CA C 13 57.978 0.100 . 1 . . . A 145 CYS CA . 25439 1 1599 . 1 1 147 147 CYS CB C 13 33.555 0.100 . 1 . . . A 145 CYS CB . 25439 1 1600 . 1 1 147 147 CYS N N 15 123.088 0.100 . 1 . . . A 145 CYS N . 25439 1 1601 . 1 1 148 148 VAL H H 1 8.198 0.020 . 1 . . . A 146 VAL H . 25439 1 1602 . 1 1 148 148 VAL HA H 1 4.238 0.020 . 1 . . . A 146 VAL HA . 25439 1 1603 . 1 1 148 148 VAL HB H 1 2.184 0.020 . 1 . . . A 146 VAL HB . 25439 1 1604 . 1 1 148 148 VAL HG11 H 1 0.792 0.020 . 2 . . . A 146 VAL HG11 . 25439 1 1605 . 1 1 148 148 VAL HG12 H 1 0.792 0.020 . 2 . . . A 146 VAL HG12 . 25439 1 1606 . 1 1 148 148 VAL HG13 H 1 0.792 0.020 . 2 . . . A 146 VAL HG13 . 25439 1 1607 . 1 1 148 148 VAL HG21 H 1 0.839 0.020 . 2 . . . A 146 VAL HG21 . 25439 1 1608 . 1 1 148 148 VAL HG22 H 1 0.839 0.020 . 2 . . . A 146 VAL HG22 . 25439 1 1609 . 1 1 148 148 VAL HG23 H 1 0.839 0.020 . 2 . . . A 146 VAL HG23 . 25439 1 1610 . 1 1 148 148 VAL CA C 13 64.001 0.100 . 1 . . . A 146 VAL CA . 25439 1 1611 . 1 1 148 148 VAL CB C 13 32.157 0.100 . 1 . . . A 146 VAL CB . 25439 1 1612 . 1 1 148 148 VAL CG1 C 13 19.611 0.100 . 2 . . . A 146 VAL CG1 . 25439 1 1613 . 1 1 148 148 VAL CG2 C 13 20.217 0.100 . 2 . . . A 146 VAL CG2 . 25439 1 1614 . 1 1 148 148 VAL N N 15 113.265 0.100 . 1 . . . A 146 VAL N . 25439 1 1615 . 1 1 149 149 HIS H H 1 7.151 0.020 . 1 . . . A 147 HIS H . 25439 1 1616 . 1 1 149 149 HIS HA H 1 4.604 0.020 . 1 . . . A 147 HIS HA . 25439 1 1617 . 1 1 149 149 HIS HB2 H 1 3.301 0.020 . 1 . . . A 147 HIS HB2 . 25439 1 1618 . 1 1 149 149 HIS HB3 H 1 2.829 0.020 . 1 . . . A 147 HIS HB3 . 25439 1 1619 . 1 1 149 149 HIS HD2 H 1 7.939 0.020 . 1 . . . A 147 HIS HD2 . 25439 1 1620 . 1 1 149 149 HIS HE1 H 1 7.712 0.020 . 1 . . . A 147 HIS HE1 . 25439 1 1621 . 1 1 149 149 HIS CA C 13 58.708 0.100 . 1 . . . A 147 HIS CA . 25439 1 1622 . 1 1 149 149 HIS CB C 13 32.204 0.100 . 1 . . . A 147 HIS CB . 25439 1 1623 . 1 1 149 149 HIS CD2 C 13 121.128 0.100 . 1 . . . A 147 HIS CD2 . 25439 1 1624 . 1 1 149 149 HIS CE1 C 13 138.749 0.100 . 1 . . . A 147 HIS CE1 . 25439 1 1625 . 1 1 149 149 HIS N N 15 120.556 0.100 . 1 . . . A 147 HIS N . 25439 1 1626 . 1 1 150 150 CYS H H 1 7.413 0.020 . 1 . . . A 148 CYS H . 25439 1 1627 . 1 1 150 150 CYS HA H 1 4.889 0.020 . 1 . . . A 148 CYS HA . 25439 1 1628 . 1 1 150 150 CYS HB2 H 1 3.211 0.020 . 1 . . . A 148 CYS HB2 . 25439 1 1629 . 1 1 150 150 CYS HB3 H 1 2.699 0.020 . 1 . . . A 148 CYS HB3 . 25439 1 1630 . 1 1 150 150 CYS CA C 13 57.952 0.100 . 1 . . . A 148 CYS CA . 25439 1 1631 . 1 1 150 150 CYS CB C 13 32.956 0.100 . 1 . . . A 148 CYS CB . 25439 1 1632 . 1 1 150 150 CYS N N 15 112.110 0.100 . 1 . . . A 148 CYS N . 25439 1 1633 . 1 1 151 151 GLY H H 1 6.949 0.020 . 1 . . . A 149 GLY H . 25439 1 1634 . 1 1 151 151 GLY HA2 H 1 2.234 0.020 . 2 . . . A 149 GLY HA2 . 25439 1 1635 . 1 1 151 151 GLY HA3 H 1 2.625 0.020 . 2 . . . A 149 GLY HA3 . 25439 1 1636 . 1 1 151 151 GLY CA C 13 45.327 0.100 . 1 . . . A 149 GLY CA . 25439 1 1637 . 1 1 151 151 GLY N N 15 112.797 0.100 . 1 . . . A 149 GLY N . 25439 1 1638 . 1 1 152 152 CYS H H 1 8.240 0.020 . 1 . . . A 150 CYS H . 25439 1 1639 . 1 1 152 152 CYS HA H 1 3.932 0.020 . 1 . . . A 150 CYS HA . 25439 1 1640 . 1 1 152 152 CYS HB2 H 1 3.151 0.020 . 1 . . . A 150 CYS HB2 . 25439 1 1641 . 1 1 152 152 CYS HB3 H 1 3.594 0.020 . 1 . . . A 150 CYS HB3 . 25439 1 1642 . 1 1 152 152 CYS CA C 13 61.362 0.100 . 1 . . . A 150 CYS CA . 25439 1 1643 . 1 1 152 152 CYS CB C 13 30.632 0.100 . 1 . . . A 150 CYS CB . 25439 1 1644 . 1 1 152 152 CYS N N 15 127.277 0.100 . 1 . . . A 150 CYS N . 25439 1 1645 . 1 1 153 153 ARG H H 1 8.492 0.020 . 1 . . . A 151 ARG H . 25439 1 1646 . 1 1 153 153 ARG HA H 1 4.775 0.020 . 1 . . . A 151 ARG HA . 25439 1 1647 . 1 1 153 153 ARG HB2 H 1 2.174 0.020 . 1 . . . A 151 ARG HB2 . 25439 1 1648 . 1 1 153 153 ARG HB3 H 1 2.174 0.020 . 1 . . . A 151 ARG HB3 . 25439 1 1649 . 1 1 153 153 ARG HD2 H 1 3.174 0.020 . 1 . . . A 151 ARG HD2 . 25439 1 1650 . 1 1 153 153 ARG HD3 H 1 3.174 0.020 . 1 . . . A 151 ARG HD3 . 25439 1 1651 . 1 1 153 153 ARG CA C 13 56.164 0.100 . 1 . . . A 151 ARG CA . 25439 1 1652 . 1 1 153 153 ARG CB C 13 30.354 0.100 . 1 . . . A 151 ARG CB . 25439 1 1653 . 1 1 153 153 ARG CD C 13 43.515 0.100 . 1 . . . A 151 ARG CD . 25439 1 1654 . 1 1 153 153 ARG N N 15 125.476 0.100 . 1 . . . A 151 ARG N . 25439 1 1655 . 1 1 154 154 GLY H H 1 9.812 0.020 . 1 . . . A 152 GLY H . 25439 1 1656 . 1 1 154 154 GLY HA2 H 1 4.470 0.020 . 2 . . . A 152 GLY HA2 . 25439 1 1657 . 1 1 154 154 GLY HA3 H 1 4.544 0.020 . 2 . . . A 152 GLY HA3 . 25439 1 1658 . 1 1 154 154 GLY CA C 13 45.523 0.100 . 1 . . . A 152 GLY CA . 25439 1 1659 . 1 1 154 154 GLY N N 15 117.275 0.100 . 1 . . . A 152 GLY N . 25439 1 1660 . 1 1 155 155 CYS H H 1 8.930 0.020 . 1 . . . A 153 CYS H . 25439 1 1661 . 1 1 155 155 CYS HA H 1 4.842 0.020 . 1 . . . A 153 CYS HA . 25439 1 1662 . 1 1 155 155 CYS HB2 H 1 3.589 0.020 . 1 . . . A 153 CYS HB2 . 25439 1 1663 . 1 1 155 155 CYS HB3 H 1 2.396 0.020 . 1 . . . A 153 CYS HB3 . 25439 1 1664 . 1 1 155 155 CYS CA C 13 57.130 0.100 . 1 . . . A 153 CYS CA . 25439 1 1665 . 1 1 155 155 CYS CB C 13 31.368 0.100 . 1 . . . A 153 CYS CB . 25439 1 1666 . 1 1 155 155 CYS N N 15 126.187 0.100 . 1 . . . A 153 CYS N . 25439 1 1667 . 1 1 156 156 ALA H H 1 8.616 0.020 . 1 . . . A 154 ALA H . 25439 1 1668 . 1 1 156 156 ALA HA H 1 4.159 0.020 . 1 . . . A 154 ALA HA . 25439 1 1669 . 1 1 156 156 ALA HB1 H 1 1.276 0.020 . 1 . . . A 154 ALA HB1 . 25439 1 1670 . 1 1 156 156 ALA HB2 H 1 1.276 0.020 . 1 . . . A 154 ALA HB2 . 25439 1 1671 . 1 1 156 156 ALA HB3 H 1 1.276 0.020 . 1 . . . A 154 ALA HB3 . 25439 1 1672 . 1 1 156 156 ALA CA C 13 53.187 0.100 . 1 . . . A 154 ALA CA . 25439 1 1673 . 1 1 156 156 ALA CB C 13 18.937 0.100 . 1 . . . A 154 ALA CB . 25439 1 1674 . 1 1 156 156 ALA N N 15 125.869 0.100 . 1 . . . A 154 ALA N . 25439 1 1675 . 1 1 157 157 SER H H 1 9.358 0.020 . 1 . . . A 155 SER H . 25439 1 1676 . 1 1 157 157 SER HA H 1 4.283 0.020 . 1 . . . A 155 SER HA . 25439 1 1677 . 1 1 157 157 SER HB2 H 1 3.975 0.020 . 1 . . . A 155 SER HB2 . 25439 1 1678 . 1 1 157 157 SER HB3 H 1 3.950 0.020 . 1 . . . A 155 SER HB3 . 25439 1 1679 . 1 1 157 157 SER CA C 13 60.136 0.100 . 1 . . . A 155 SER CA . 25439 1 1680 . 1 1 157 157 SER CB C 13 63.575 0.100 . 1 . . . A 155 SER CB . 25439 1 1681 . 1 1 157 157 SER N N 15 116.724 0.100 . 1 . . . A 155 SER N . 25439 1 1682 . 1 1 158 158 THR H H 1 7.638 0.020 . 1 . . . A 156 THR H . 25439 1 1683 . 1 1 158 158 THR HA H 1 4.358 0.020 . 1 . . . A 156 THR HA . 25439 1 1684 . 1 1 158 158 THR HB H 1 4.353 0.020 . 1 . . . A 156 THR HB . 25439 1 1685 . 1 1 158 158 THR HG21 H 1 1.192 0.020 . 1 . . . A 156 THR HG21 . 25439 1 1686 . 1 1 158 158 THR HG22 H 1 1.192 0.020 . 1 . . . A 156 THR HG22 . 25439 1 1687 . 1 1 158 158 THR HG23 H 1 1.192 0.020 . 1 . . . A 156 THR HG23 . 25439 1 1688 . 1 1 158 158 THR CA C 13 61.264 0.100 . 1 . . . A 156 THR CA . 25439 1 1689 . 1 1 158 158 THR CB C 13 69.999 0.100 . 1 . . . A 156 THR CB . 25439 1 1690 . 1 1 158 158 THR CG2 C 13 21.525 0.100 . 1 . . . A 156 THR CG2 . 25439 1 1691 . 1 1 158 158 THR N N 15 111.893 0.100 . 1 . . . A 156 THR N . 25439 1 1692 . 1 1 159 159 ASP H H 1 7.734 0.020 . 1 . . . A 157 ASP H . 25439 1 1693 . 1 1 159 159 ASP HA H 1 4.487 0.020 . 1 . . . A 157 ASP HA . 25439 1 1694 . 1 1 159 159 ASP HB2 H 1 2.523 0.020 . 1 . . . A 157 ASP HB2 . 25439 1 1695 . 1 1 159 159 ASP HB3 H 1 2.756 0.020 . 1 . . . A 157 ASP HB3 . 25439 1 1696 . 1 1 159 159 ASP CA C 13 56.127 0.100 . 1 . . . A 157 ASP CA . 25439 1 1697 . 1 1 159 159 ASP CB C 13 42.287 0.100 . 1 . . . A 157 ASP CB . 25439 1 1698 . 1 1 159 159 ASP N N 15 127.814 0.100 . 1 . . . A 157 ASP N . 25439 1 stop_ save_