data_25437 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25437 _Entry.Title ; Endo T5-ZN+2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-01-19 _Entry.Accession_date 2015-01-19 _Entry.Last_release_date 2016-08-30 _Entry.Original_release_date 2016-08-30 _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 'NMR, 20 STRUCTURES' _Entry.Details 'bacteriophage T5 l-alanoyl-d-glutamate peptidase' _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 Dmitry Prokhorov . A. . . 25437 2 Galina Mikoulinskaia . V. . . 25437 3 Nikolai Molochkov . V. . . 25437 4 Victor Kutyshenko . P. . . 25437 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' . 25437 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Zn-containing . 25437 'bacteriophage T5' . 25437 endolysin . 25437 'l-alanoyl-d-glutamate peptidase' . 25437 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25437 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 475 25437 '15N chemical shifts' 135 25437 '1H chemical shifts' 932 25437 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2016-08-30 2015-01-15 update BMRB 'update entry citation' 25437 1 . . 2015-02-09 2015-01-15 original author 'original release' 25437 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID NCBI AAS19387.1 . 25437 PDB 2MXZ 'BMRB Entry Tracking System' 25437 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 25437 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27376687 _Citation.Full_citation . _Citation.Title ; Structure and dynamics of the retro-form of the bacteriophage T5 endolysin ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochim. Biophys. Acta' _Citation.Journal_name_full . _Citation.Journal_volume 1864 _Citation.Journal_issue 10 _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 1281 _Citation.Page_last 1291 _Citation.Year 2016 _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 Victor Kutyshenko . P. . . 25437 1 2 Galina Mikoulinskaia . V. . . 25437 1 3 Nikolai Molochkov . V. . . 25437 1 4 Dmitry Prokhorov . A. . . 25437 1 5 Sergei Taran . A. . . 25437 1 6 Vladimir Uversky . N. . . 25437 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25437 _Assembly.ID 1 _Assembly.Name 'Endo T5-ZN+2' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _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 l-alanoyl-d-glutamate_peptidase 1 $l-alanoyl-d-glutamate_peptidase A . yes native no no . . . 25437 1 2 'ZINC ION' 2 $entity_ZN B . no native no no . . . 25437 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_l-alanoyl-d-glutamate_peptidase _Entity.Sf_category entity _Entity.Sf_framecode l-alanoyl-d-glutamate_peptidase _Entity.Entry_ID 25437 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name l-alanoyl-d-glutamate_peptidase _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 ; MSFKFGKNSEKQLATVKPEL QKVARRALELSPYDFTIVQG IRTVAQSAQNIANGTSFLKD PSKSKHITGDAIDFAPYING KIDWNDLEAFWAVKKAFEQA GKELGIKLRFGADWNASGDY HDEIKRGTYDGGHVELV ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 137 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15286.351 _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 MET . 25437 1 2 2 SER . 25437 1 3 3 PHE . 25437 1 4 4 LYS . 25437 1 5 5 PHE . 25437 1 6 6 GLY . 25437 1 7 7 LYS . 25437 1 8 8 ASN . 25437 1 9 9 SER . 25437 1 10 10 GLU . 25437 1 11 11 LYS . 25437 1 12 12 GLN . 25437 1 13 13 LEU . 25437 1 14 14 ALA . 25437 1 15 15 THR . 25437 1 16 16 VAL . 25437 1 17 17 LYS . 25437 1 18 18 PRO . 25437 1 19 19 GLU . 25437 1 20 20 LEU . 25437 1 21 21 GLN . 25437 1 22 22 LYS . 25437 1 23 23 VAL . 25437 1 24 24 ALA . 25437 1 25 25 ARG . 25437 1 26 26 ARG . 25437 1 27 27 ALA . 25437 1 28 28 LEU . 25437 1 29 29 GLU . 25437 1 30 30 LEU . 25437 1 31 31 SER . 25437 1 32 32 PRO . 25437 1 33 33 TYR . 25437 1 34 34 ASP . 25437 1 35 35 PHE . 25437 1 36 36 THR . 25437 1 37 37 ILE . 25437 1 38 38 VAL . 25437 1 39 39 GLN . 25437 1 40 40 GLY . 25437 1 41 41 ILE . 25437 1 42 42 ARG . 25437 1 43 43 THR . 25437 1 44 44 VAL . 25437 1 45 45 ALA . 25437 1 46 46 GLN . 25437 1 47 47 SER . 25437 1 48 48 ALA . 25437 1 49 49 GLN . 25437 1 50 50 ASN . 25437 1 51 51 ILE . 25437 1 52 52 ALA . 25437 1 53 53 ASN . 25437 1 54 54 GLY . 25437 1 55 55 THR . 25437 1 56 56 SER . 25437 1 57 57 PHE . 25437 1 58 58 LEU . 25437 1 59 59 LYS . 25437 1 60 60 ASP . 25437 1 61 61 PRO . 25437 1 62 62 SER . 25437 1 63 63 LYS . 25437 1 64 64 SER . 25437 1 65 65 LYS . 25437 1 66 66 HIS . 25437 1 67 67 ILE . 25437 1 68 68 THR . 25437 1 69 69 GLY . 25437 1 70 70 ASP . 25437 1 71 71 ALA . 25437 1 72 72 ILE . 25437 1 73 73 ASP . 25437 1 74 74 PHE . 25437 1 75 75 ALA . 25437 1 76 76 PRO . 25437 1 77 77 TYR . 25437 1 78 78 ILE . 25437 1 79 79 ASN . 25437 1 80 80 GLY . 25437 1 81 81 LYS . 25437 1 82 82 ILE . 25437 1 83 83 ASP . 25437 1 84 84 TRP . 25437 1 85 85 ASN . 25437 1 86 86 ASP . 25437 1 87 87 LEU . 25437 1 88 88 GLU . 25437 1 89 89 ALA . 25437 1 90 90 PHE . 25437 1 91 91 TRP . 25437 1 92 92 ALA . 25437 1 93 93 VAL . 25437 1 94 94 LYS . 25437 1 95 95 LYS . 25437 1 96 96 ALA . 25437 1 97 97 PHE . 25437 1 98 98 GLU . 25437 1 99 99 GLN . 25437 1 100 100 ALA . 25437 1 101 101 GLY . 25437 1 102 102 LYS . 25437 1 103 103 GLU . 25437 1 104 104 LEU . 25437 1 105 105 GLY . 25437 1 106 106 ILE . 25437 1 107 107 LYS . 25437 1 108 108 LEU . 25437 1 109 109 ARG . 25437 1 110 110 PHE . 25437 1 111 111 GLY . 25437 1 112 112 ALA . 25437 1 113 113 ASP . 25437 1 114 114 TRP . 25437 1 115 115 ASN . 25437 1 116 116 ALA . 25437 1 117 117 SER . 25437 1 118 118 GLY . 25437 1 119 119 ASP . 25437 1 120 120 TYR . 25437 1 121 121 HIS . 25437 1 122 122 ASP . 25437 1 123 123 GLU . 25437 1 124 124 ILE . 25437 1 125 125 LYS . 25437 1 126 126 ARG . 25437 1 127 127 GLY . 25437 1 128 128 THR . 25437 1 129 129 TYR . 25437 1 130 130 ASP . 25437 1 131 131 GLY . 25437 1 132 132 GLY . 25437 1 133 133 HIS . 25437 1 134 134 VAL . 25437 1 135 135 GLU . 25437 1 136 136 LEU . 25437 1 137 137 VAL . 25437 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 25437 1 . SER 2 2 25437 1 . PHE 3 3 25437 1 . LYS 4 4 25437 1 . PHE 5 5 25437 1 . GLY 6 6 25437 1 . LYS 7 7 25437 1 . ASN 8 8 25437 1 . SER 9 9 25437 1 . GLU 10 10 25437 1 . LYS 11 11 25437 1 . GLN 12 12 25437 1 . LEU 13 13 25437 1 . ALA 14 14 25437 1 . THR 15 15 25437 1 . VAL 16 16 25437 1 . LYS 17 17 25437 1 . PRO 18 18 25437 1 . GLU 19 19 25437 1 . LEU 20 20 25437 1 . GLN 21 21 25437 1 . LYS 22 22 25437 1 . VAL 23 23 25437 1 . ALA 24 24 25437 1 . ARG 25 25 25437 1 . ARG 26 26 25437 1 . ALA 27 27 25437 1 . LEU 28 28 25437 1 . GLU 29 29 25437 1 . LEU 30 30 25437 1 . SER 31 31 25437 1 . PRO 32 32 25437 1 . TYR 33 33 25437 1 . ASP 34 34 25437 1 . PHE 35 35 25437 1 . THR 36 36 25437 1 . ILE 37 37 25437 1 . VAL 38 38 25437 1 . GLN 39 39 25437 1 . GLY 40 40 25437 1 . ILE 41 41 25437 1 . ARG 42 42 25437 1 . THR 43 43 25437 1 . VAL 44 44 25437 1 . ALA 45 45 25437 1 . GLN 46 46 25437 1 . SER 47 47 25437 1 . ALA 48 48 25437 1 . GLN 49 49 25437 1 . ASN 50 50 25437 1 . ILE 51 51 25437 1 . ALA 52 52 25437 1 . ASN 53 53 25437 1 . GLY 54 54 25437 1 . THR 55 55 25437 1 . SER 56 56 25437 1 . PHE 57 57 25437 1 . LEU 58 58 25437 1 . LYS 59 59 25437 1 . ASP 60 60 25437 1 . PRO 61 61 25437 1 . SER 62 62 25437 1 . LYS 63 63 25437 1 . SER 64 64 25437 1 . LYS 65 65 25437 1 . HIS 66 66 25437 1 . ILE 67 67 25437 1 . THR 68 68 25437 1 . GLY 69 69 25437 1 . ASP 70 70 25437 1 . ALA 71 71 25437 1 . ILE 72 72 25437 1 . ASP 73 73 25437 1 . PHE 74 74 25437 1 . ALA 75 75 25437 1 . PRO 76 76 25437 1 . TYR 77 77 25437 1 . ILE 78 78 25437 1 . ASN 79 79 25437 1 . GLY 80 80 25437 1 . LYS 81 81 25437 1 . ILE 82 82 25437 1 . ASP 83 83 25437 1 . TRP 84 84 25437 1 . ASN 85 85 25437 1 . ASP 86 86 25437 1 . LEU 87 87 25437 1 . GLU 88 88 25437 1 . ALA 89 89 25437 1 . PHE 90 90 25437 1 . TRP 91 91 25437 1 . ALA 92 92 25437 1 . VAL 93 93 25437 1 . LYS 94 94 25437 1 . LYS 95 95 25437 1 . ALA 96 96 25437 1 . PHE 97 97 25437 1 . GLU 98 98 25437 1 . GLN 99 99 25437 1 . ALA 100 100 25437 1 . GLY 101 101 25437 1 . LYS 102 102 25437 1 . GLU 103 103 25437 1 . LEU 104 104 25437 1 . GLY 105 105 25437 1 . ILE 106 106 25437 1 . LYS 107 107 25437 1 . LEU 108 108 25437 1 . ARG 109 109 25437 1 . PHE 110 110 25437 1 . GLY 111 111 25437 1 . ALA 112 112 25437 1 . ASP 113 113 25437 1 . TRP 114 114 25437 1 . ASN 115 115 25437 1 . ALA 116 116 25437 1 . SER 117 117 25437 1 . GLY 118 118 25437 1 . ASP 119 119 25437 1 . TYR 120 120 25437 1 . HIS 121 121 25437 1 . ASP 122 122 25437 1 . GLU 123 123 25437 1 . ILE 124 124 25437 1 . LYS 125 125 25437 1 . ARG 126 126 25437 1 . GLY 127 127 25437 1 . THR 128 128 25437 1 . TYR 129 129 25437 1 . ASP 130 130 25437 1 . GLY 131 131 25437 1 . GLY 132 132 25437 1 . HIS 133 133 25437 1 . VAL 134 134 25437 1 . GLU 135 135 25437 1 . LEU 136 136 25437 1 . VAL 137 137 25437 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 25437 _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 25437 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 25437 2 ZN 'Three letter code' 25437 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 25437 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 25437 _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 $l-alanoyl-d-glutamate_peptidase . 10726 virus . 'Enterobacteria phage T5' 'Bacteriophage T5' . . Viruses . T5likevirus 'Enterobacteria phage T5' . . . . . . . . . . . lys . 25437 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 25437 _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 $l-alanoyl-d-glutamate_peptidase . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET3a . . . 25437 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 25437 _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 25437 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 25437 ZN [Zn++] SMILES CACTVS 3.341 25437 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 25437 ZN [Zn+2] SMILES ACDLabs 10.04 25437 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 25437 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 25437 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 25437 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 25437 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 . 25437 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25437 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 'l-alanoyl-d-glutamate peptidase' '[U-100% 13C; U-100% 15N]' . . 1 $l-alanoyl-d-glutamate_peptidase . . 0.8 . . mM . . . . 25437 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25437 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25437 1 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 25437 _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' 0.05 . M 25437 1 pH 4.1 . pH 25437 1 pressure 1 . atm 25437 1 temperature 298 . K 25437 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25437 _Software.ID 1 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25437 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25437 1 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 25437 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 25437 _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 III' . 600 . . . 25437 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 25437 _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 . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25437 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25437 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25437 1 4 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25437 1 5 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25437 1 6 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25437 1 7 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25437 1 8 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25437 1 9 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25437 1 10 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25437 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 25437 _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 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 25437 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25437 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25437 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 25437 _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' . . . 25437 1 2 '3D CBCA(CO)NH' . . . 25437 1 3 '3D HNCACB' . . . 25437 1 4 '3D C(CO)NH' . . . 25437 1 5 '3D HCCH-TOCSY' . . . 25437 1 6 '3D 1H-15N TOCSY' . . . 25437 1 7 '3D 1H-13C NOESY' . . . 25437 1 8 '3D 1H-13C NOESY aliphatic' . . . 25437 1 9 '3D 1H-13C NOESY aromatic' . . . 25437 1 10 '3D HNCO' . . . 25437 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 PHE H H 1 8.534 0.020 . . . . . A 3 PHE H . 25437 1 2 . 1 1 3 3 PHE HA H 1 4.792 0.020 . . . . . A 3 PHE HA . 25437 1 3 . 1 1 3 3 PHE HB2 H 1 2.355 0.020 . . . . . A 3 PHE HB2 . 25437 1 4 . 1 1 3 3 PHE HB3 H 1 2.456 0.020 . . . . . A 3 PHE HB3 . 25437 1 5 . 1 1 3 3 PHE HD1 H 1 7.230 0.020 . . . . . A 3 PHE HD1 . 25437 1 6 . 1 1 3 3 PHE HD2 H 1 7.230 0.020 . . . . . A 3 PHE HD2 . 25437 1 7 . 1 1 3 3 PHE HE1 H 1 7.151 0.020 . . . . . A 3 PHE HE1 . 25437 1 8 . 1 1 3 3 PHE HE2 H 1 7.151 0.020 . . . . . A 3 PHE HE2 . 25437 1 9 . 1 1 3 3 PHE HZ H 1 7.328 0.020 . . . . . A 3 PHE HZ . 25437 1 10 . 1 1 3 3 PHE CA C 13 56.407 0.400 . . . . . A 3 PHE CA . 25437 1 11 . 1 1 3 3 PHE CB C 13 40.111 0.400 . . . . . A 3 PHE CB . 25437 1 12 . 1 1 3 3 PHE CD1 C 13 131.468 0.400 . . . . . A 3 PHE CD1 . 25437 1 13 . 1 1 3 3 PHE CD2 C 13 131.469 0.400 . . . . . A 3 PHE CD2 . 25437 1 14 . 1 1 3 3 PHE CE1 C 13 131.940 0.400 . . . . . A 3 PHE CE1 . 25437 1 15 . 1 1 3 3 PHE CE2 C 13 131.940 0.400 . . . . . A 3 PHE CE2 . 25437 1 16 . 1 1 3 3 PHE CZ C 13 129.629 0.400 . . . . . A 3 PHE CZ . 25437 1 17 . 1 1 3 3 PHE N N 15 121.785 0.400 . . . . . A 3 PHE N . 25437 1 18 . 1 1 4 4 LYS H H 1 8.367 0.020 . . . . . A 4 LYS H . 25437 1 19 . 1 1 4 4 LYS HA H 1 4.452 0.020 . . . . . A 4 LYS HA . 25437 1 20 . 1 1 4 4 LYS HB2 H 1 1.681 0.020 . . . . . A 4 LYS HB2 . 25437 1 21 . 1 1 4 4 LYS HB3 H 1 1.597 0.020 . . . . . A 4 LYS HB3 . 25437 1 22 . 1 1 4 4 LYS HG2 H 1 1.336 0.020 . . . . . A 4 LYS HG2 . 25437 1 23 . 1 1 4 4 LYS HG3 H 1 1.336 0.020 . . . . . A 4 LYS HG3 . 25437 1 24 . 1 1 4 4 LYS HD2 H 1 1.637 0.020 . . . . . A 4 LYS HD2 . 25437 1 25 . 1 1 4 4 LYS HD3 H 1 1.637 0.020 . . . . . A 4 LYS HD3 . 25437 1 26 . 1 1 4 4 LYS HE2 H 1 2.959 0.020 . . . . . A 4 LYS HE2 . 25437 1 27 . 1 1 4 4 LYS HE3 H 1 2.959 0.020 . . . . . A 4 LYS HE3 . 25437 1 28 . 1 1 4 4 LYS CA C 13 54.774 0.400 . . . . . A 4 LYS CA . 25437 1 29 . 1 1 4 4 LYS CB C 13 35.710 0.400 . . . . . A 4 LYS CB . 25437 1 30 . 1 1 4 4 LYS CG C 13 24.416 0.400 . . . . . A 4 LYS CG . 25437 1 31 . 1 1 4 4 LYS CD C 13 28.950 0.400 . . . . . A 4 LYS CD . 25437 1 32 . 1 1 4 4 LYS CE C 13 42.116 0.400 . . . . . A 4 LYS CE . 25437 1 33 . 1 1 4 4 LYS N N 15 119.409 0.400 . . . . . A 4 LYS N . 25437 1 34 . 1 1 5 5 PHE H H 1 8.603 0.020 . . . . . A 5 PHE H . 25437 1 35 . 1 1 5 5 PHE HA H 1 4.873 0.020 . . . . . A 5 PHE HA . 25437 1 36 . 1 1 5 5 PHE HB2 H 1 3.007 0.020 . . . . . A 5 PHE HB2 . 25437 1 37 . 1 1 5 5 PHE HB3 H 1 3.143 0.020 . . . . . A 5 PHE HB3 . 25437 1 38 . 1 1 5 5 PHE HD1 H 1 7.292 0.020 . . . . . A 5 PHE HD1 . 25437 1 39 . 1 1 5 5 PHE HD2 H 1 7.292 0.020 . . . . . A 5 PHE HD2 . 25437 1 40 . 1 1 5 5 PHE HE1 H 1 7.007 0.020 . . . . . A 5 PHE HE1 . 25437 1 41 . 1 1 5 5 PHE HE2 H 1 7.007 0.020 . . . . . A 5 PHE HE2 . 25437 1 42 . 1 1 5 5 PHE HZ H 1 6.834 0.020 . . . . . A 5 PHE HZ . 25437 1 43 . 1 1 5 5 PHE CA C 13 58.636 0.400 . . . . . A 5 PHE CA . 25437 1 44 . 1 1 5 5 PHE CB C 13 39.217 0.400 . . . . . A 5 PHE CB . 25437 1 45 . 1 1 5 5 PHE CD1 C 13 131.668 0.400 . . . . . A 5 PHE CD1 . 25437 1 46 . 1 1 5 5 PHE CD2 C 13 131.668 0.400 . . . . . A 5 PHE CD2 . 25437 1 47 . 1 1 5 5 PHE CE1 C 13 129.252 0.400 . . . . . A 5 PHE CE1 . 25437 1 48 . 1 1 5 5 PHE CE2 C 13 129.252 0.400 . . . . . A 5 PHE CE2 . 25437 1 49 . 1 1 5 5 PHE CZ C 13 131.315 0.400 . . . . . A 5 PHE CZ . 25437 1 50 . 1 1 5 5 PHE N N 15 124.495 0.400 . . . . . A 5 PHE N . 25437 1 51 . 1 1 6 6 GLY H H 1 8.559 0.020 . . . . . A 6 GLY H . 25437 1 52 . 1 1 6 6 GLY HA2 H 1 3.923 0.020 . . . . . A 6 GLY HA2 . 25437 1 53 . 1 1 6 6 GLY HA3 H 1 4.364 0.020 . . . . . A 6 GLY HA3 . 25437 1 54 . 1 1 6 6 GLY CA C 13 43.819 0.400 . . . . . A 6 GLY CA . 25437 1 55 . 1 1 6 6 GLY N N 15 108.622 0.400 . . . . . A 6 GLY N . 25437 1 56 . 1 1 7 7 LYS H H 1 8.692 0.020 . . . . . A 7 LYS H . 25437 1 57 . 1 1 7 7 LYS HA H 1 3.958 0.020 . . . . . A 7 LYS HA . 25437 1 58 . 1 1 7 7 LYS HB2 H 1 1.850 0.020 . . . . . A 7 LYS HB2 . 25437 1 59 . 1 1 7 7 LYS HB3 H 1 1.902 0.020 . . . . . A 7 LYS HB3 . 25437 1 60 . 1 1 7 7 LYS HG2 H 1 1.478 0.020 . . . . . A 7 LYS HG2 . 25437 1 61 . 1 1 7 7 LYS HG3 H 1 1.478 0.020 . . . . . A 7 LYS HG3 . 25437 1 62 . 1 1 7 7 LYS HD2 H 1 1.729 0.020 . . . . . A 7 LYS HD2 . 25437 1 63 . 1 1 7 7 LYS HD3 H 1 1.729 0.020 . . . . . A 7 LYS HD3 . 25437 1 64 . 1 1 7 7 LYS HE2 H 1 2.953 0.020 . . . . . A 7 LYS HE2 . 25437 1 65 . 1 1 7 7 LYS HE3 H 1 2.953 0.020 . . . . . A 7 LYS HE3 . 25437 1 66 . 1 1 7 7 LYS CA C 13 60.087 0.400 . . . . . A 7 LYS CA . 25437 1 67 . 1 1 7 7 LYS CB C 13 32.399 0.400 . . . . . A 7 LYS CB . 25437 1 68 . 1 1 7 7 LYS CG C 13 24.916 0.400 . . . . . A 7 LYS CG . 25437 1 69 . 1 1 7 7 LYS CD C 13 28.780 0.400 . . . . . A 7 LYS CD . 25437 1 70 . 1 1 7 7 LYS CE C 13 41.943 0.400 . . . . . A 7 LYS CE . 25437 1 71 . 1 1 7 7 LYS N N 15 119.341 0.400 . . . . . A 7 LYS N . 25437 1 72 . 1 1 8 8 ASN H H 1 9.185 0.020 . . . . . A 8 ASN H . 25437 1 73 . 1 1 8 8 ASN HA H 1 4.551 0.020 . . . . . A 8 ASN HA . 25437 1 74 . 1 1 8 8 ASN HB2 H 1 2.925 0.020 . . . . . A 8 ASN HB2 . 25437 1 75 . 1 1 8 8 ASN HB3 H 1 2.925 0.020 . . . . . A 8 ASN HB3 . 25437 1 76 . 1 1 8 8 ASN HD21 H 1 7.109 0.020 . . . . . A 8 ASN HD21 . 25437 1 77 . 1 1 8 8 ASN HD22 H 1 7.867 0.020 . . . . . A 8 ASN HD22 . 25437 1 78 . 1 1 8 8 ASN CA C 13 56.776 0.400 . . . . . A 8 ASN CA . 25437 1 79 . 1 1 8 8 ASN CB C 13 36.961 0.400 . . . . . A 8 ASN CB . 25437 1 80 . 1 1 8 8 ASN N N 15 118.555 0.400 . . . . . A 8 ASN N . 25437 1 81 . 1 1 8 8 ASN ND2 N 15 113.931 0.400 . . . . . A 8 ASN ND2 . 25437 1 82 . 1 1 9 9 SER H H 1 8.076 0.020 . . . . . A 9 SER H . 25437 1 83 . 1 1 9 9 SER HA H 1 4.283 0.020 . . . . . A 9 SER HA . 25437 1 84 . 1 1 9 9 SER HB2 H 1 4.007 0.020 . . . . . A 9 SER HB2 . 25437 1 85 . 1 1 9 9 SER HB3 H 1 4.007 0.020 . . . . . A 9 SER HB3 . 25437 1 86 . 1 1 9 9 SER CA C 13 62.790 0.400 . . . . . A 9 SER CA . 25437 1 87 . 1 1 9 9 SER CB C 13 62.790 0.400 . . . . . A 9 SER CB . 25437 1 88 . 1 1 9 9 SER N N 15 118.632 0.400 . . . . . A 9 SER N . 25437 1 89 . 1 1 10 10 GLU H H 1 8.351 0.020 . . . . . A 10 GLU H . 25437 1 90 . 1 1 10 10 GLU HA H 1 3.977 0.020 . . . . . A 10 GLU HA . 25437 1 91 . 1 1 10 10 GLU HB2 H 1 2.292 0.020 . . . . . A 10 GLU HB2 . 25437 1 92 . 1 1 10 10 GLU HB3 H 1 2.292 0.020 . . . . . A 10 GLU HB3 . 25437 1 93 . 1 1 10 10 GLU HG2 H 1 2.495 0.020 . . . . . A 10 GLU HG2 . 25437 1 94 . 1 1 10 10 GLU HG3 H 1 2.495 0.020 . . . . . A 10 GLU HG3 . 25437 1 95 . 1 1 10 10 GLU CA C 13 59.409 0.400 . . . . . A 10 GLU CA . 25437 1 96 . 1 1 10 10 GLU CB C 13 28.556 0.400 . . . . . A 10 GLU CB . 25437 1 97 . 1 1 10 10 GLU CG C 13 35.919 0.400 . . . . . A 10 GLU CG . 25437 1 98 . 1 1 10 10 GLU N N 15 120.882 0.400 . . . . . A 10 GLU N . 25437 1 99 . 1 1 11 11 LYS H H 1 7.937 0.020 . . . . . A 11 LYS H . 25437 1 100 . 1 1 11 11 LYS HA H 1 4.056 0.020 . . . . . A 11 LYS HA . 25437 1 101 . 1 1 11 11 LYS HB2 H 1 2.012 0.020 . . . . . A 11 LYS HB2 . 25437 1 102 . 1 1 11 11 LYS HB3 H 1 2.012 0.020 . . . . . A 11 LYS HB3 . 25437 1 103 . 1 1 11 11 LYS HG2 H 1 1.605 0.020 . . . . . A 11 LYS HG2 . 25437 1 104 . 1 1 11 11 LYS HG3 H 1 1.475 0.020 . . . . . A 11 LYS HG3 . 25437 1 105 . 1 1 11 11 LYS HD2 H 1 1.724 0.020 . . . . . A 11 LYS HD2 . 25437 1 106 . 1 1 11 11 LYS HD3 H 1 1.724 0.020 . . . . . A 11 LYS HD3 . 25437 1 107 . 1 1 11 11 LYS HE2 H 1 3.019 0.020 . . . . . A 11 LYS HE2 . 25437 1 108 . 1 1 11 11 LYS HE3 H 1 3.019 0.020 . . . . . A 11 LYS HE3 . 25437 1 109 . 1 1 11 11 LYS CA C 13 59.477 0.400 . . . . . A 11 LYS CA . 25437 1 110 . 1 1 11 11 LYS CB C 13 32.032 0.400 . . . . . A 11 LYS CB . 25437 1 111 . 1 1 11 11 LYS CG C 13 24.759 0.400 . . . . . A 11 LYS CG . 25437 1 112 . 1 1 11 11 LYS CD C 13 29.139 0.400 . . . . . A 11 LYS CD . 25437 1 113 . 1 1 11 11 LYS CE C 13 42.013 0.400 . . . . . A 11 LYS CE . 25437 1 114 . 1 1 11 11 LYS N N 15 120.030 0.400 . . . . . A 11 LYS N . 25437 1 115 . 1 1 12 12 GLN H H 1 7.562 0.020 . . . . . A 12 GLN H . 25437 1 116 . 1 1 12 12 GLN HA H 1 4.147 0.020 . . . . . A 12 GLN HA . 25437 1 117 . 1 1 12 12 GLN HB2 H 1 1.989 0.020 . . . . . A 12 GLN HB2 . 25437 1 118 . 1 1 12 12 GLN HB3 H 1 2.072 0.020 . . . . . A 12 GLN HB3 . 25437 1 119 . 1 1 12 12 GLN HG2 H 1 2.279 0.020 . . . . . A 12 GLN HG2 . 25437 1 120 . 1 1 12 12 GLN HG3 H 1 2.279 0.020 . . . . . A 12 GLN HG3 . 25437 1 121 . 1 1 12 12 GLN CA C 13 57.373 0.400 . . . . . A 12 GLN CA . 25437 1 122 . 1 1 12 12 GLN CB C 13 28.511 0.400 . . . . . A 12 GLN CB . 25437 1 123 . 1 1 12 12 GLN CG C 13 32.407 0.400 . . . . . A 12 GLN CG . 25437 1 124 . 1 1 12 12 GLN N N 15 114.749 0.400 . . . . . A 12 GLN N . 25437 1 125 . 1 1 13 13 LEU H H 1 8.725 0.020 . . . . . A 13 LEU H . 25437 1 126 . 1 1 13 13 LEU HA H 1 3.880 0.020 . . . . . A 13 LEU HA . 25437 1 127 . 1 1 13 13 LEU HB2 H 1 1.579 0.020 . . . . . A 13 LEU HB2 . 25437 1 128 . 1 1 13 13 LEU HB3 H 1 1.396 0.020 . . . . . A 13 LEU HB3 . 25437 1 129 . 1 1 13 13 LEU HG H 1 1.461 0.020 . . . . . A 13 LEU HG . 25437 1 130 . 1 1 13 13 LEU HD11 H 1 0.392 0.020 . . . . . A 13 LEU HD11 . 25437 1 131 . 1 1 13 13 LEU HD12 H 1 0.392 0.020 . . . . . A 13 LEU HD12 . 25437 1 132 . 1 1 13 13 LEU HD13 H 1 0.392 0.020 . . . . . A 13 LEU HD13 . 25437 1 133 . 1 1 13 13 LEU HD21 H 1 0.649 0.020 . . . . . A 13 LEU HD21 . 25437 1 134 . 1 1 13 13 LEU HD22 H 1 0.649 0.020 . . . . . A 13 LEU HD22 . 25437 1 135 . 1 1 13 13 LEU HD23 H 1 0.649 0.020 . . . . . A 13 LEU HD23 . 25437 1 136 . 1 1 13 13 LEU CA C 13 57.080 0.400 . . . . . A 13 LEU CA . 25437 1 137 . 1 1 13 13 LEU CB C 13 42.413 0.400 . . . . . A 13 LEU CB . 25437 1 138 . 1 1 13 13 LEU CG C 13 26.670 0.400 . . . . . A 13 LEU CG . 25437 1 139 . 1 1 13 13 LEU CD1 C 13 24.329 0.400 . . . . . A 13 LEU CD1 . 25437 1 140 . 1 1 13 13 LEU CD2 C 13 24.052 0.400 . . . . . A 13 LEU CD2 . 25437 1 141 . 1 1 13 13 LEU N N 15 121.751 0.400 . . . . . A 13 LEU N . 25437 1 142 . 1 1 14 14 ALA H H 1 7.574 0.020 . . . . . A 14 ALA H . 25437 1 143 . 1 1 14 14 ALA HA H 1 4.070 0.020 . . . . . A 14 ALA HA . 25437 1 144 . 1 1 14 14 ALA HB1 H 1 1.517 0.020 . . . . . A 14 ALA HB1 . 25437 1 145 . 1 1 14 14 ALA HB2 H 1 1.517 0.020 . . . . . A 14 ALA HB2 . 25437 1 146 . 1 1 14 14 ALA HB3 H 1 1.517 0.020 . . . . . A 14 ALA HB3 . 25437 1 147 . 1 1 14 14 ALA CA C 13 53.706 0.400 . . . . . A 14 ALA CA . 25437 1 148 . 1 1 14 14 ALA CB C 13 18.020 0.400 . . . . . A 14 ALA CB . 25437 1 149 . 1 1 14 14 ALA N N 15 116.323 0.400 . . . . . A 14 ALA N . 25437 1 150 . 1 1 15 15 THR H H 1 7.326 0.020 . . . . . A 15 THR H . 25437 1 151 . 1 1 15 15 THR HA H 1 4.431 0.020 . . . . . A 15 THR HA . 25437 1 152 . 1 1 15 15 THR HB H 1 4.498 0.020 . . . . . A 15 THR HB . 25437 1 153 . 1 1 15 15 THR HG21 H 1 1.432 0.020 . . . . . A 15 THR HG21 . 25437 1 154 . 1 1 15 15 THR HG22 H 1 1.432 0.020 . . . . . A 15 THR HG22 . 25437 1 155 . 1 1 15 15 THR HG23 H 1 1.432 0.020 . . . . . A 15 THR HG23 . 25437 1 156 . 1 1 15 15 THR CA C 13 62.381 0.400 . . . . . A 15 THR CA . 25437 1 157 . 1 1 15 15 THR CB C 13 70.327 0.400 . . . . . A 15 THR CB . 25437 1 158 . 1 1 15 15 THR CG2 C 13 21.292 0.400 . . . . . A 15 THR CG2 . 25437 1 159 . 1 1 15 15 THR N N 15 104.034 0.400 . . . . . A 15 THR N . 25437 1 160 . 1 1 16 16 VAL H H 1 7.164 0.020 . . . . . A 16 VAL H . 25437 1 161 . 1 1 16 16 VAL HA H 1 4.922 0.020 . . . . . A 16 VAL HA . 25437 1 162 . 1 1 16 16 VAL HB H 1 2.484 0.020 . . . . . A 16 VAL HB . 25437 1 163 . 1 1 16 16 VAL HG11 H 1 0.946 0.020 . . . . . A 16 VAL HG11 . 25437 1 164 . 1 1 16 16 VAL HG12 H 1 0.946 0.020 . . . . . A 16 VAL HG12 . 25437 1 165 . 1 1 16 16 VAL HG13 H 1 0.946 0.020 . . . . . A 16 VAL HG13 . 25437 1 166 . 1 1 16 16 VAL HG21 H 1 1.032 0.020 . . . . . A 16 VAL HG21 . 25437 1 167 . 1 1 16 16 VAL HG22 H 1 1.032 0.020 . . . . . A 16 VAL HG22 . 25437 1 168 . 1 1 16 16 VAL HG23 H 1 1.032 0.020 . . . . . A 16 VAL HG23 . 25437 1 169 . 1 1 16 16 VAL CA C 13 59.661 0.400 . . . . . A 16 VAL CA . 25437 1 170 . 1 1 16 16 VAL CB C 13 32.989 0.400 . . . . . A 16 VAL CB . 25437 1 171 . 1 1 16 16 VAL CG1 C 13 21.613 0.400 . . . . . A 16 VAL CG1 . 25437 1 172 . 1 1 16 16 VAL CG2 C 13 17.515 0.400 . . . . . A 16 VAL CG2 . 25437 1 173 . 1 1 16 16 VAL N N 15 112.438 0.400 . . . . . A 16 VAL N . 25437 1 174 . 1 1 17 17 LYS H H 1 8.907 0.020 . . . . . A 17 LYS H . 25437 1 175 . 1 1 17 17 LYS HA H 1 4.230 0.020 . . . . . A 17 LYS HA . 25437 1 176 . 1 1 17 17 LYS HB2 H 1 1.782 0.020 . . . . . A 17 LYS HB2 . 25437 1 177 . 1 1 17 17 LYS HB3 H 1 1.656 0.020 . . . . . A 17 LYS HB3 . 25437 1 178 . 1 1 17 17 LYS HG2 H 1 1.423 0.020 . . . . . A 17 LYS HG2 . 25437 1 179 . 1 1 17 17 LYS HG3 H 1 1.423 0.020 . . . . . A 17 LYS HG3 . 25437 1 180 . 1 1 17 17 LYS HD2 H 1 1.623 0.020 . . . . . A 17 LYS HD2 . 25437 1 181 . 1 1 17 17 LYS HD3 H 1 1.623 0.020 . . . . . A 17 LYS HD3 . 25437 1 182 . 1 1 17 17 LYS HE2 H 1 2.945 0.020 . . . . . A 17 LYS HE2 . 25437 1 183 . 1 1 17 17 LYS HE3 H 1 2.945 0.020 . . . . . A 17 LYS HE3 . 25437 1 184 . 1 1 17 17 LYS CA C 13 55.486 0.400 . . . . . A 17 LYS CA . 25437 1 185 . 1 1 17 17 LYS CB C 13 32.079 0.400 . . . . . A 17 LYS CB . 25437 1 186 . 1 1 17 17 LYS CG C 13 24.910 0.400 . . . . . A 17 LYS CG . 25437 1 187 . 1 1 17 17 LYS CD C 13 28.780 0.400 . . . . . A 17 LYS CD . 25437 1 188 . 1 1 17 17 LYS CE C 13 41.962 0.400 . . . . . A 17 LYS CE . 25437 1 189 . 1 1 17 17 LYS N N 15 120.729 0.400 . . . . . A 17 LYS N . 25437 1 190 . 1 1 18 18 PRO HA H 1 4.130 0.020 . . . . . A 18 PRO HA . 25437 1 191 . 1 1 18 18 PRO HB2 H 1 2.011 0.020 . . . . . A 18 PRO HB2 . 25437 1 192 . 1 1 18 18 PRO HB3 H 1 2.428 0.020 . . . . . A 18 PRO HB3 . 25437 1 193 . 1 1 18 18 PRO HG2 H 1 2.121 0.020 . . . . . A 18 PRO HG2 . 25437 1 194 . 1 1 18 18 PRO HG3 H 1 2.264 0.020 . . . . . A 18 PRO HG3 . 25437 1 195 . 1 1 18 18 PRO HD2 H 1 4.013 0.020 . . . . . A 18 PRO HD2 . 25437 1 196 . 1 1 18 18 PRO HD3 H 1 4.013 0.020 . . . . . A 18 PRO HD3 . 25437 1 197 . 1 1 18 18 PRO CA C 13 65.813 0.400 . . . . . A 18 PRO CA . 25437 1 198 . 1 1 18 18 PRO CB C 13 31.864 0.400 . . . . . A 18 PRO CB . 25437 1 199 . 1 1 18 18 PRO CG C 13 27.450 0.400 . . . . . A 18 PRO CG . 25437 1 200 . 1 1 18 18 PRO CD C 13 50.801 0.400 . . . . . A 18 PRO CD . 25437 1 201 . 1 1 19 19 GLU H H 1 9.714 0.020 . . . . . A 19 GLU H . 25437 1 202 . 1 1 19 19 GLU HA H 1 4.011 0.020 . . . . . A 19 GLU HA . 25437 1 203 . 1 1 19 19 GLU HB2 H 1 2.002 0.020 . . . . . A 19 GLU HB2 . 25437 1 204 . 1 1 19 19 GLU HB3 H 1 2.002 0.020 . . . . . A 19 GLU HB3 . 25437 1 205 . 1 1 19 19 GLU HG2 H 1 2.437 0.020 . . . . . A 19 GLU HG2 . 25437 1 206 . 1 1 19 19 GLU HG3 H 1 2.576 0.020 . . . . . A 19 GLU HG3 . 25437 1 207 . 1 1 19 19 GLU CA C 13 61.031 0.400 . . . . . A 19 GLU CA . 25437 1 208 . 1 1 19 19 GLU CB C 13 29.117 0.400 . . . . . A 19 GLU CB . 25437 1 209 . 1 1 19 19 GLU CG C 13 36.648 0.400 . . . . . A 19 GLU CG . 25437 1 210 . 1 1 19 19 GLU N N 15 117.608 0.400 . . . . . A 19 GLU N . 25437 1 211 . 1 1 20 20 LEU H H 1 7.188 0.020 . . . . . A 20 LEU H . 25437 1 212 . 1 1 20 20 LEU HA H 1 4.258 0.020 . . . . . A 20 LEU HA . 25437 1 213 . 1 1 20 20 LEU HB2 H 1 1.928 0.020 . . . . . A 20 LEU HB2 . 25437 1 214 . 1 1 20 20 LEU HB3 H 1 1.418 0.020 . . . . . A 20 LEU HB3 . 25437 1 215 . 1 1 20 20 LEU HG H 1 1.456 0.020 . . . . . A 20 LEU HG . 25437 1 216 . 1 1 20 20 LEU HD11 H 1 0.686 0.020 . . . . . A 20 LEU HD11 . 25437 1 217 . 1 1 20 20 LEU HD12 H 1 0.686 0.020 . . . . . A 20 LEU HD12 . 25437 1 218 . 1 1 20 20 LEU HD13 H 1 0.686 0.020 . . . . . A 20 LEU HD13 . 25437 1 219 . 1 1 20 20 LEU HD21 H 1 0.784 0.020 . . . . . A 20 LEU HD21 . 25437 1 220 . 1 1 20 20 LEU HD22 H 1 0.784 0.020 . . . . . A 20 LEU HD22 . 25437 1 221 . 1 1 20 20 LEU HD23 H 1 0.784 0.020 . . . . . A 20 LEU HD23 . 25437 1 222 . 1 1 20 20 LEU CA C 13 56.261 0.400 . . . . . A 20 LEU CA . 25437 1 223 . 1 1 20 20 LEU CB C 13 41.894 0.400 . . . . . A 20 LEU CB . 25437 1 224 . 1 1 20 20 LEU CG C 13 26.723 0.400 . . . . . A 20 LEU CG . 25437 1 225 . 1 1 20 20 LEU CD1 C 13 25.550 0.400 . . . . . A 20 LEU CD1 . 25437 1 226 . 1 1 20 20 LEU CD2 C 13 22.090 0.400 . . . . . A 20 LEU CD2 . 25437 1 227 . 1 1 20 20 LEU N N 15 117.938 0.400 . . . . . A 20 LEU N . 25437 1 228 . 1 1 21 21 GLN H H 1 7.805 0.020 . . . . . A 21 GLN H . 25437 1 229 . 1 1 21 21 GLN HA H 1 3.831 0.020 . . . . . A 21 GLN HA . 25437 1 230 . 1 1 21 21 GLN HB2 H 1 2.178 0.020 . . . . . A 21 GLN HB2 . 25437 1 231 . 1 1 21 21 GLN HB3 H 1 2.178 0.020 . . . . . A 21 GLN HB3 . 25437 1 232 . 1 1 21 21 GLN HG2 H 1 2.158 0.020 . . . . . A 21 GLN HG2 . 25437 1 233 . 1 1 21 21 GLN HG3 H 1 2.490 0.020 . . . . . A 21 GLN HG3 . 25437 1 234 . 1 1 21 21 GLN CA C 13 60.100 0.400 . . . . . A 21 GLN CA . 25437 1 235 . 1 1 21 21 GLN CB C 13 27.745 0.400 . . . . . A 21 GLN CB . 25437 1 236 . 1 1 21 21 GLN CG C 13 34.536 0.400 . . . . . A 21 GLN CG . 25437 1 237 . 1 1 21 21 GLN N N 15 118.367 0.400 . . . . . A 21 GLN N . 25437 1 238 . 1 1 22 22 LYS H H 1 8.143 0.020 . . . . . A 22 LYS H . 25437 1 239 . 1 1 22 22 LYS HA H 1 3.962 0.020 . . . . . A 22 LYS HA . 25437 1 240 . 1 1 22 22 LYS HB2 H 1 1.852 0.020 . . . . . A 22 LYS HB2 . 25437 1 241 . 1 1 22 22 LYS HB3 H 1 1.898 0.020 . . . . . A 22 LYS HB3 . 25437 1 242 . 1 1 22 22 LYS HG2 H 1 1.596 0.020 . . . . . A 22 LYS HG2 . 25437 1 243 . 1 1 22 22 LYS HG3 H 1 1.482 0.020 . . . . . A 22 LYS HG3 . 25437 1 244 . 1 1 22 22 LYS HD2 H 1 1.731 0.020 . . . . . A 22 LYS HD2 . 25437 1 245 . 1 1 22 22 LYS HD3 H 1 1.731 0.020 . . . . . A 22 LYS HD3 . 25437 1 246 . 1 1 22 22 LYS HE2 H 1 3.023 0.020 . . . . . A 22 LYS HE2 . 25437 1 247 . 1 1 22 22 LYS HE3 H 1 3.023 0.020 . . . . . A 22 LYS HE3 . 25437 1 248 . 1 1 22 22 LYS CA C 13 59.816 0.400 . . . . . A 22 LYS CA . 25437 1 249 . 1 1 22 22 LYS CB C 13 32.520 0.400 . . . . . A 22 LYS CB . 25437 1 250 . 1 1 22 22 LYS CG C 13 24.959 0.400 . . . . . A 22 LYS CG . 25437 1 251 . 1 1 22 22 LYS CD C 13 29.236 0.400 . . . . . A 22 LYS CD . 25437 1 252 . 1 1 22 22 LYS CE C 13 42.106 0.400 . . . . . A 22 LYS CE . 25437 1 253 . 1 1 22 22 LYS N N 15 116.715 0.400 . . . . . A 22 LYS N . 25437 1 254 . 1 1 23 23 VAL H H 1 7.715 0.020 . . . . . A 23 VAL H . 25437 1 255 . 1 1 23 23 VAL HA H 1 3.591 0.020 . . . . . A 23 VAL HA . 25437 1 256 . 1 1 23 23 VAL HB H 1 2.282 0.020 . . . . . A 23 VAL HB . 25437 1 257 . 1 1 23 23 VAL HG11 H 1 1.179 0.020 . . . . . A 23 VAL HG11 . 25437 1 258 . 1 1 23 23 VAL HG12 H 1 1.179 0.020 . . . . . A 23 VAL HG12 . 25437 1 259 . 1 1 23 23 VAL HG13 H 1 1.179 0.020 . . . . . A 23 VAL HG13 . 25437 1 260 . 1 1 23 23 VAL HG21 H 1 1.179 0.020 . . . . . A 23 VAL HG21 . 25437 1 261 . 1 1 23 23 VAL HG22 H 1 1.179 0.020 . . . . . A 23 VAL HG22 . 25437 1 262 . 1 1 23 23 VAL HG23 H 1 1.179 0.020 . . . . . A 23 VAL HG23 . 25437 1 263 . 1 1 23 23 VAL CA C 13 66.313 0.400 . . . . . A 23 VAL CA . 25437 1 264 . 1 1 23 23 VAL CB C 13 31.529 0.400 . . . . . A 23 VAL CB . 25437 1 265 . 1 1 23 23 VAL CG1 C 13 23.871 0.400 . . . . . A 23 VAL CG1 . 25437 1 266 . 1 1 23 23 VAL CG2 C 13 22.293 0.400 . . . . . A 23 VAL CG2 . 25437 1 267 . 1 1 23 23 VAL N N 15 118.397 0.400 . . . . . A 23 VAL N . 25437 1 268 . 1 1 24 24 ALA H H 1 8.307 0.020 . . . . . A 24 ALA H . 25437 1 269 . 1 1 24 24 ALA HA H 1 4.024 0.020 . . . . . A 24 ALA HA . 25437 1 270 . 1 1 24 24 ALA HB1 H 1 1.655 0.020 . . . . . A 24 ALA HB1 . 25437 1 271 . 1 1 24 24 ALA HB2 H 1 1.655 0.020 . . . . . A 24 ALA HB2 . 25437 1 272 . 1 1 24 24 ALA HB3 H 1 1.655 0.020 . . . . . A 24 ALA HB3 . 25437 1 273 . 1 1 24 24 ALA CA C 13 55.444 0.400 . . . . . A 24 ALA CA . 25437 1 274 . 1 1 24 24 ALA CB C 13 18.086 0.400 . . . . . A 24 ALA CB . 25437 1 275 . 1 1 24 24 ALA N N 15 121.929 0.400 . . . . . A 24 ALA N . 25437 1 276 . 1 1 25 25 ARG H H 1 8.224 0.020 . . . . . A 25 ARG H . 25437 1 277 . 1 1 25 25 ARG HA H 1 4.114 0.020 . . . . . A 25 ARG HA . 25437 1 278 . 1 1 25 25 ARG HB2 H 1 1.877 0.020 . . . . . A 25 ARG HB2 . 25437 1 279 . 1 1 25 25 ARG HB3 H 1 1.877 0.020 . . . . . A 25 ARG HB3 . 25437 1 280 . 1 1 25 25 ARG HG2 H 1 1.439 0.020 . . . . . A 25 ARG HG2 . 25437 1 281 . 1 1 25 25 ARG HG3 H 1 1.439 0.020 . . . . . A 25 ARG HG3 . 25437 1 282 . 1 1 25 25 ARG HD2 H 1 3.115 0.020 . . . . . A 25 ARG HD2 . 25437 1 283 . 1 1 25 25 ARG HD3 H 1 3.115 0.020 . . . . . A 25 ARG HD3 . 25437 1 284 . 1 1 25 25 ARG HE H 1 7.589 0.020 . . . . . A 25 ARG HE . 25437 1 285 . 1 1 25 25 ARG CA C 13 60.717 0.400 . . . . . A 25 ARG CA . 25437 1 286 . 1 1 25 25 ARG CB C 13 29.257 0.400 . . . . . A 25 ARG CB . 25437 1 287 . 1 1 25 25 ARG CG C 13 27.068 0.400 . . . . . A 25 ARG CG . 25437 1 288 . 1 1 25 25 ARG CD C 13 42.836 0.400 . . . . . A 25 ARG CD . 25437 1 289 . 1 1 25 25 ARG N N 15 114.491 0.400 . . . . . A 25 ARG N . 25437 1 290 . 1 1 25 25 ARG NE N 15 84.338 0.400 . . . . . A 25 ARG NE . 25437 1 291 . 1 1 26 26 ARG H H 1 7.703 0.020 . . . . . A 26 ARG H . 25437 1 292 . 1 1 26 26 ARG HA H 1 4.223 0.020 . . . . . A 26 ARG HA . 25437 1 293 . 1 1 26 26 ARG HB2 H 1 1.620 0.020 . . . . . A 26 ARG HB2 . 25437 1 294 . 1 1 26 26 ARG HB3 H 1 1.710 0.020 . . . . . A 26 ARG HB3 . 25437 1 295 . 1 1 26 26 ARG HG2 H 1 1.391 0.020 . . . . . A 26 ARG HG2 . 25437 1 296 . 1 1 26 26 ARG HG3 H 1 1.391 0.020 . . . . . A 26 ARG HG3 . 25437 1 297 . 1 1 26 26 ARG HD2 H 1 2.940 0.020 . . . . . A 26 ARG HD2 . 25437 1 298 . 1 1 26 26 ARG HD3 H 1 2.940 0.020 . . . . . A 26 ARG HD3 . 25437 1 299 . 1 1 26 26 ARG CA C 13 57.097 0.400 . . . . . A 26 ARG CA . 25437 1 300 . 1 1 26 26 ARG CB C 13 28.888 0.400 . . . . . A 26 ARG CB . 25437 1 301 . 1 1 26 26 ARG CG C 13 24.624 0.400 . . . . . A 26 ARG CG . 25437 1 302 . 1 1 26 26 ARG CD C 13 41.968 0.400 . . . . . A 26 ARG CD . 25437 1 303 . 1 1 26 26 ARG N N 15 119.944 0.400 . . . . . A 26 ARG N . 25437 1 304 . 1 1 27 27 ALA H H 1 8.754 0.020 . . . . . A 27 ALA H . 25437 1 305 . 1 1 27 27 ALA HA H 1 3.611 0.020 . . . . . A 27 ALA HA . 25437 1 306 . 1 1 27 27 ALA HB1 H 1 0.489 0.020 . . . . . A 27 ALA HB1 . 25437 1 307 . 1 1 27 27 ALA HB2 H 1 0.489 0.020 . . . . . A 27 ALA HB2 . 25437 1 308 . 1 1 27 27 ALA HB3 H 1 0.489 0.020 . . . . . A 27 ALA HB3 . 25437 1 309 . 1 1 27 27 ALA CA C 13 55.249 0.400 . . . . . A 27 ALA CA . 25437 1 310 . 1 1 27 27 ALA CB C 13 15.829 0.400 . . . . . A 27 ALA CB . 25437 1 311 . 1 1 27 27 ALA N N 15 122.041 0.400 . . . . . A 27 ALA N . 25437 1 312 . 1 1 28 28 LEU H H 1 7.657 0.020 . . . . . A 28 LEU H . 25437 1 313 . 1 1 28 28 LEU HA H 1 4.053 0.020 . . . . . A 28 LEU HA . 25437 1 314 . 1 1 28 28 LEU HB2 H 1 1.440 0.020 . . . . . A 28 LEU HB2 . 25437 1 315 . 1 1 28 28 LEU HB3 H 1 0.888 0.020 . . . . . A 28 LEU HB3 . 25437 1 316 . 1 1 28 28 LEU HG H 1 1.268 0.020 . . . . . A 28 LEU HG . 25437 1 317 . 1 1 28 28 LEU HD11 H 1 -0.669 0.020 . . . . . A 28 LEU HD11 . 25437 1 318 . 1 1 28 28 LEU HD12 H 1 -0.669 0.020 . . . . . A 28 LEU HD12 . 25437 1 319 . 1 1 28 28 LEU HD13 H 1 -0.669 0.020 . . . . . A 28 LEU HD13 . 25437 1 320 . 1 1 28 28 LEU HD21 H 1 0.132 0.020 . . . . . A 28 LEU HD21 . 25437 1 321 . 1 1 28 28 LEU HD22 H 1 0.132 0.020 . . . . . A 28 LEU HD22 . 25437 1 322 . 1 1 28 28 LEU HD23 H 1 0.132 0.020 . . . . . A 28 LEU HD23 . 25437 1 323 . 1 1 28 28 LEU CA C 13 57.757 0.400 . . . . . A 28 LEU CA . 25437 1 324 . 1 1 28 28 LEU CB C 13 40.351 0.400 . . . . . A 28 LEU CB . 25437 1 325 . 1 1 28 28 LEU CG C 13 25.845 0.400 . . . . . A 28 LEU CG . 25437 1 326 . 1 1 28 28 LEU CD1 C 13 23.115 0.400 . . . . . A 28 LEU CD1 . 25437 1 327 . 1 1 28 28 LEU CD2 C 13 21.712 0.400 . . . . . A 28 LEU CD2 . 25437 1 328 . 1 1 28 28 LEU N N 15 117.421 0.400 . . . . . A 28 LEU N . 25437 1 329 . 1 1 29 29 GLU H H 1 7.039 0.020 . . . . . A 29 GLU H . 25437 1 330 . 1 1 29 29 GLU HA H 1 4.023 0.020 . . . . . A 29 GLU HA . 25437 1 331 . 1 1 29 29 GLU HB2 H 1 2.000 0.020 . . . . . A 29 GLU HB2 . 25437 1 332 . 1 1 29 29 GLU HB3 H 1 2.000 0.020 . . . . . A 29 GLU HB3 . 25437 1 333 . 1 1 29 29 GLU HG2 H 1 2.257 0.020 . . . . . A 29 GLU HG2 . 25437 1 334 . 1 1 29 29 GLU HG3 H 1 2.642 0.020 . . . . . A 29 GLU HG3 . 25437 1 335 . 1 1 29 29 GLU CA C 13 58.489 0.400 . . . . . A 29 GLU CA . 25437 1 336 . 1 1 29 29 GLU CB C 13 29.540 0.400 . . . . . A 29 GLU CB . 25437 1 337 . 1 1 29 29 GLU CG C 13 35.638 0.400 . . . . . A 29 GLU CG . 25437 1 338 . 1 1 29 29 GLU N N 15 114.911 0.400 . . . . . A 29 GLU N . 25437 1 339 . 1 1 30 30 LEU H H 1 7.353 0.020 . . . . . A 30 LEU H . 25437 1 340 . 1 1 30 30 LEU HA H 1 4.281 0.020 . . . . . A 30 LEU HA . 25437 1 341 . 1 1 30 30 LEU HB2 H 1 1.491 0.020 . . . . . A 30 LEU HB2 . 25437 1 342 . 1 1 30 30 LEU HB3 H 1 1.770 0.020 . . . . . A 30 LEU HB3 . 25437 1 343 . 1 1 30 30 LEU HG H 1 1.661 0.020 . . . . . A 30 LEU HG . 25437 1 344 . 1 1 30 30 LEU HD11 H 1 0.835 0.020 . . . . . A 30 LEU HD11 . 25437 1 345 . 1 1 30 30 LEU HD12 H 1 0.835 0.020 . . . . . A 30 LEU HD12 . 25437 1 346 . 1 1 30 30 LEU HD13 H 1 0.835 0.020 . . . . . A 30 LEU HD13 . 25437 1 347 . 1 1 30 30 LEU HD21 H 1 0.835 0.020 . . . . . A 30 LEU HD21 . 25437 1 348 . 1 1 30 30 LEU HD22 H 1 0.835 0.020 . . . . . A 30 LEU HD22 . 25437 1 349 . 1 1 30 30 LEU HD23 H 1 0.835 0.020 . . . . . A 30 LEU HD23 . 25437 1 350 . 1 1 30 30 LEU CA C 13 55.266 0.400 . . . . . A 30 LEU CA . 25437 1 351 . 1 1 30 30 LEU CB C 13 44.403 0.400 . . . . . A 30 LEU CB . 25437 1 352 . 1 1 30 30 LEU CG C 13 25.883 0.400 . . . . . A 30 LEU CG . 25437 1 353 . 1 1 30 30 LEU CD1 C 13 21.843 0.400 . . . . . A 30 LEU CD1 . 25437 1 354 . 1 1 30 30 LEU CD2 C 13 21.645 0.400 . . . . . A 30 LEU CD2 . 25437 1 355 . 1 1 30 30 LEU N N 15 117.166 0.400 . . . . . A 30 LEU N . 25437 1 356 . 1 1 31 31 SER H H 1 7.742 0.020 . . . . . A 31 SER H . 25437 1 357 . 1 1 31 31 SER HA H 1 4.557 0.020 . . . . . A 31 SER HA . 25437 1 358 . 1 1 31 31 SER HB2 H 1 4.200 0.020 . . . . . A 31 SER HB2 . 25437 1 359 . 1 1 31 31 SER HB3 H 1 4.101 0.020 . . . . . A 31 SER HB3 . 25437 1 360 . 1 1 31 31 SER CA C 13 55.723 0.400 . . . . . A 31 SER CA . 25437 1 361 . 1 1 31 31 SER CB C 13 65.560 0.400 . . . . . A 31 SER CB . 25437 1 362 . 1 1 31 31 SER N N 15 116.260 0.400 . . . . . A 31 SER N . 25437 1 363 . 1 1 32 32 PRO HA H 1 4.609 0.020 . . . . . A 32 PRO HA . 25437 1 364 . 1 1 32 32 PRO HB2 H 1 2.183 0.020 . . . . . A 32 PRO HB2 . 25437 1 365 . 1 1 32 32 PRO HB3 H 1 1.524 0.020 . . . . . A 32 PRO HB3 . 25437 1 366 . 1 1 32 32 PRO HG2 H 1 2.139 0.020 . . . . . A 32 PRO HG2 . 25437 1 367 . 1 1 32 32 PRO HG3 H 1 1.868 0.020 . . . . . A 32 PRO HG3 . 25437 1 368 . 1 1 32 32 PRO HD2 H 1 3.803 0.020 . . . . . A 32 PRO HD2 . 25437 1 369 . 1 1 32 32 PRO HD3 H 1 3.803 0.020 . . . . . A 32 PRO HD3 . 25437 1 370 . 1 1 32 32 PRO CA C 13 63.483 0.400 . . . . . A 32 PRO CA . 25437 1 371 . 1 1 32 32 PRO CB C 13 31.236 0.400 . . . . . A 32 PRO CB . 25437 1 372 . 1 1 32 32 PRO CG C 13 26.723 0.400 . . . . . A 32 PRO CG . 25437 1 373 . 1 1 32 32 PRO CD C 13 50.373 0.400 . . . . . A 32 PRO CD . 25437 1 374 . 1 1 33 33 TYR H H 1 7.727 0.020 . . . . . A 33 TYR H . 25437 1 375 . 1 1 33 33 TYR HA H 1 4.710 0.020 . . . . . A 33 TYR HA . 25437 1 376 . 1 1 33 33 TYR HB2 H 1 2.224 0.020 . . . . . A 33 TYR HB2 . 25437 1 377 . 1 1 33 33 TYR HB3 H 1 2.224 0.020 . . . . . A 33 TYR HB3 . 25437 1 378 . 1 1 33 33 TYR HD1 H 1 7.062 0.020 . . . . . A 33 TYR HD1 . 25437 1 379 . 1 1 33 33 TYR HD2 H 1 7.062 0.020 . . . . . A 33 TYR HD2 . 25437 1 380 . 1 1 33 33 TYR HE1 H 1 6.823 0.020 . . . . . A 33 TYR HE1 . 25437 1 381 . 1 1 33 33 TYR HE2 H 1 6.823 0.020 . . . . . A 33 TYR HE2 . 25437 1 382 . 1 1 33 33 TYR CA C 13 56.742 0.400 . . . . . A 33 TYR CA . 25437 1 383 . 1 1 33 33 TYR CB C 13 41.506 0.400 . . . . . A 33 TYR CB . 25437 1 384 . 1 1 33 33 TYR CD1 C 13 133.141 0.400 . . . . . A 33 TYR CD1 . 25437 1 385 . 1 1 33 33 TYR CD2 C 13 133.141 0.400 . . . . . A 33 TYR CD2 . 25437 1 386 . 1 1 33 33 TYR CE1 C 13 117.989 0.400 . . . . . A 33 TYR CE1 . 25437 1 387 . 1 1 33 33 TYR CE2 C 13 117.989 0.400 . . . . . A 33 TYR CE2 . 25437 1 388 . 1 1 33 33 TYR N N 15 114.714 0.400 . . . . . A 33 TYR N . 25437 1 389 . 1 1 34 34 ASP H H 1 8.630 0.020 . . . . . A 34 ASP H . 25437 1 390 . 1 1 34 34 ASP HA H 1 3.524 0.020 . . . . . A 34 ASP HA . 25437 1 391 . 1 1 34 34 ASP HB2 H 1 1.439 0.020 . . . . . A 34 ASP HB2 . 25437 1 392 . 1 1 34 34 ASP HB3 H 1 1.439 0.020 . . . . . A 34 ASP HB3 . 25437 1 393 . 1 1 34 34 ASP CA C 13 52.353 0.400 . . . . . A 34 ASP CA . 25437 1 394 . 1 1 34 34 ASP CB C 13 37.720 0.400 . . . . . A 34 ASP CB . 25437 1 395 . 1 1 34 34 ASP N N 15 125.197 0.400 . . . . . A 34 ASP N . 25437 1 396 . 1 1 35 35 PHE H H 1 7.250 0.020 . . . . . A 35 PHE H . 25437 1 397 . 1 1 35 35 PHE HA H 1 5.131 0.020 . . . . . A 35 PHE HA . 25437 1 398 . 1 1 35 35 PHE HB2 H 1 2.903 0.020 . . . . . A 35 PHE HB2 . 25437 1 399 . 1 1 35 35 PHE HB3 H 1 2.830 0.020 . . . . . A 35 PHE HB3 . 25437 1 400 . 1 1 35 35 PHE HD1 H 1 7.093 0.020 . . . . . A 35 PHE HD1 . 25437 1 401 . 1 1 35 35 PHE HD2 H 1 7.093 0.020 . . . . . A 35 PHE HD2 . 25437 1 402 . 1 1 35 35 PHE HE1 H 1 7.063 0.020 . . . . . A 35 PHE HE1 . 25437 1 403 . 1 1 35 35 PHE HE2 H 1 7.063 0.020 . . . . . A 35 PHE HE2 . 25437 1 404 . 1 1 35 35 PHE HZ H 1 7.099 0.020 . . . . . A 35 PHE HZ . 25437 1 405 . 1 1 35 35 PHE CA C 13 55.839 0.400 . . . . . A 35 PHE CA . 25437 1 406 . 1 1 35 35 PHE CB C 13 40.751 0.400 . . . . . A 35 PHE CB . 25437 1 407 . 1 1 35 35 PHE CD1 C 13 133.886 0.400 . . . . . A 35 PHE CD1 . 25437 1 408 . 1 1 35 35 PHE CD2 C 13 133.886 0.400 . . . . . A 35 PHE CD2 . 25437 1 409 . 1 1 35 35 PHE CE1 C 13 131.559 0.400 . . . . . A 35 PHE CE1 . 25437 1 410 . 1 1 35 35 PHE CE2 C 13 131.559 0.400 . . . . . A 35 PHE CE2 . 25437 1 411 . 1 1 35 35 PHE CZ C 13 130.010 0.400 . . . . . A 35 PHE CZ . 25437 1 412 . 1 1 35 35 PHE N N 15 115.803 0.400 . . . . . A 35 PHE N . 25437 1 413 . 1 1 36 36 THR H H 1 9.026 0.020 . . . . . A 36 THR H . 25437 1 414 . 1 1 36 36 THR HA H 1 4.769 0.020 . . . . . A 36 THR HA . 25437 1 415 . 1 1 36 36 THR HB H 1 3.648 0.020 . . . . . A 36 THR HB . 25437 1 416 . 1 1 36 36 THR HG21 H 1 0.962 0.020 . . . . . A 36 THR HG21 . 25437 1 417 . 1 1 36 36 THR HG22 H 1 0.962 0.020 . . . . . A 36 THR HG22 . 25437 1 418 . 1 1 36 36 THR HG23 H 1 0.962 0.020 . . . . . A 36 THR HG23 . 25437 1 419 . 1 1 36 36 THR CA C 13 58.833 0.400 . . . . . A 36 THR CA . 25437 1 420 . 1 1 36 36 THR CB C 13 71.387 0.400 . . . . . A 36 THR CB . 25437 1 421 . 1 1 36 36 THR CG2 C 13 21.112 0.400 . . . . . A 36 THR CG2 . 25437 1 422 . 1 1 36 36 THR N N 15 113.338 0.400 . . . . . A 36 THR N . 25437 1 423 . 1 1 37 37 ILE H H 1 8.476 0.020 . . . . . A 37 ILE H . 25437 1 424 . 1 1 37 37 ILE HA H 1 4.676 0.020 . . . . . A 37 ILE HA . 25437 1 425 . 1 1 37 37 ILE HB H 1 2.163 0.020 . . . . . A 37 ILE HB . 25437 1 426 . 1 1 37 37 ILE HG12 H 1 1.404 0.020 . . . . . A 37 ILE HG12 . 25437 1 427 . 1 1 37 37 ILE HG13 H 1 0.958 0.020 . . . . . A 37 ILE HG13 . 25437 1 428 . 1 1 37 37 ILE HG21 H 1 0.720 0.020 . . . . . A 37 ILE HG21 . 25437 1 429 . 1 1 37 37 ILE HG22 H 1 0.720 0.020 . . . . . A 37 ILE HG22 . 25437 1 430 . 1 1 37 37 ILE HG23 H 1 0.720 0.020 . . . . . A 37 ILE HG23 . 25437 1 431 . 1 1 37 37 ILE HD11 H 1 0.938 0.020 . . . . . A 37 ILE HD11 . 25437 1 432 . 1 1 37 37 ILE HD12 H 1 0.938 0.020 . . . . . A 37 ILE HD12 . 25437 1 433 . 1 1 37 37 ILE HD13 H 1 0.938 0.020 . . . . . A 37 ILE HD13 . 25437 1 434 . 1 1 37 37 ILE CA C 13 58.395 0.400 . . . . . A 37 ILE CA . 25437 1 435 . 1 1 37 37 ILE CB C 13 34.649 0.400 . . . . . A 37 ILE CB . 25437 1 436 . 1 1 37 37 ILE CG1 C 13 25.408 0.400 . . . . . A 37 ILE CG1 . 25437 1 437 . 1 1 37 37 ILE CG2 C 13 17.085 0.400 . . . . . A 37 ILE CG2 . 25437 1 438 . 1 1 37 37 ILE CD1 C 13 9.480 0.400 . . . . . A 37 ILE CD1 . 25437 1 439 . 1 1 37 37 ILE N N 15 124.219 0.400 . . . . . A 37 ILE N . 25437 1 440 . 1 1 38 38 VAL H H 1 8.640 0.020 . . . . . A 38 VAL H . 25437 1 441 . 1 1 38 38 VAL HA H 1 3.981 0.020 . . . . . A 38 VAL HA . 25437 1 442 . 1 1 38 38 VAL HB H 1 2.087 0.020 . . . . . A 38 VAL HB . 25437 1 443 . 1 1 38 38 VAL HG11 H 1 0.952 0.020 . . . . . A 38 VAL HG11 . 25437 1 444 . 1 1 38 38 VAL HG12 H 1 0.952 0.020 . . . . . A 38 VAL HG12 . 25437 1 445 . 1 1 38 38 VAL HG13 H 1 0.952 0.020 . . . . . A 38 VAL HG13 . 25437 1 446 . 1 1 38 38 VAL HG21 H 1 0.952 0.020 . . . . . A 38 VAL HG21 . 25437 1 447 . 1 1 38 38 VAL HG22 H 1 0.952 0.020 . . . . . A 38 VAL HG22 . 25437 1 448 . 1 1 38 38 VAL HG23 H 1 0.952 0.020 . . . . . A 38 VAL HG23 . 25437 1 449 . 1 1 38 38 VAL CA C 13 63.144 0.400 . . . . . A 38 VAL CA . 25437 1 450 . 1 1 38 38 VAL CB C 13 32.658 0.400 . . . . . A 38 VAL CB . 25437 1 451 . 1 1 38 38 VAL CG1 C 13 21.742 0.400 . . . . . A 38 VAL CG1 . 25437 1 452 . 1 1 38 38 VAL CG2 C 13 20.963 0.400 . . . . . A 38 VAL CG2 . 25437 1 453 . 1 1 38 38 VAL N N 15 124.271 0.400 . . . . . A 38 VAL N . 25437 1 454 . 1 1 39 39 GLN H H 1 7.305 0.020 . . . . . A 39 GLN H . 25437 1 455 . 1 1 39 39 GLN HA H 1 4.378 0.020 . . . . . A 39 GLN HA . 25437 1 456 . 1 1 39 39 GLN HB2 H 1 2.024 0.020 . . . . . A 39 GLN HB2 . 25437 1 457 . 1 1 39 39 GLN HB3 H 1 2.102 0.020 . . . . . A 39 GLN HB3 . 25437 1 458 . 1 1 39 39 GLN HG2 H 1 2.352 0.020 . . . . . A 39 GLN HG2 . 25437 1 459 . 1 1 39 39 GLN HG3 H 1 2.369 0.020 . . . . . A 39 GLN HG3 . 25437 1 460 . 1 1 39 39 GLN CA C 13 56.197 0.400 . . . . . A 39 GLN CA . 25437 1 461 . 1 1 39 39 GLN CB C 13 33.463 0.400 . . . . . A 39 GLN CB . 25437 1 462 . 1 1 39 39 GLN CG C 13 33.617 0.400 . . . . . A 39 GLN CG . 25437 1 463 . 1 1 39 39 GLN N N 15 115.210 0.400 . . . . . A 39 GLN N . 25437 1 464 . 1 1 40 40 GLY H H 1 8.851 0.020 . . . . . A 40 GLY H . 25437 1 465 . 1 1 40 40 GLY HA2 H 1 4.793 0.020 . . . . . A 40 GLY HA2 . 25437 1 466 . 1 1 40 40 GLY HA3 H 1 3.365 0.020 . . . . . A 40 GLY HA3 . 25437 1 467 . 1 1 40 40 GLY CA C 13 45.347 0.400 . . . . . A 40 GLY CA . 25437 1 468 . 1 1 40 40 GLY N N 15 116.022 0.400 . . . . . A 40 GLY N . 25437 1 469 . 1 1 41 41 ILE H H 1 8.776 0.020 . . . . . A 41 ILE H . 25437 1 470 . 1 1 41 41 ILE HA H 1 4.715 0.020 . . . . . A 41 ILE HA . 25437 1 471 . 1 1 41 41 ILE HB H 1 1.885 0.020 . . . . . A 41 ILE HB . 25437 1 472 . 1 1 41 41 ILE HG12 H 1 1.414 0.020 . . . . . A 41 ILE HG12 . 25437 1 473 . 1 1 41 41 ILE HG13 H 1 1.677 0.020 . . . . . A 41 ILE HG13 . 25437 1 474 . 1 1 41 41 ILE HG21 H 1 0.980 0.020 . . . . . A 41 ILE HG21 . 25437 1 475 . 1 1 41 41 ILE HG22 H 1 0.980 0.020 . . . . . A 41 ILE HG22 . 25437 1 476 . 1 1 41 41 ILE HG23 H 1 0.980 0.020 . . . . . A 41 ILE HG23 . 25437 1 477 . 1 1 41 41 ILE HD11 H 1 0.998 0.020 . . . . . A 41 ILE HD11 . 25437 1 478 . 1 1 41 41 ILE HD12 H 1 0.998 0.020 . . . . . A 41 ILE HD12 . 25437 1 479 . 1 1 41 41 ILE HD13 H 1 0.998 0.020 . . . . . A 41 ILE HD13 . 25437 1 480 . 1 1 41 41 ILE CA C 13 61.575 0.400 . . . . . A 41 ILE CA . 25437 1 481 . 1 1 41 41 ILE CB C 13 38.774 0.400 . . . . . A 41 ILE CB . 25437 1 482 . 1 1 41 41 ILE CG1 C 13 29.544 0.400 . . . . . A 41 ILE CG1 . 25437 1 483 . 1 1 41 41 ILE CG2 C 13 17.540 0.400 . . . . . A 41 ILE CG2 . 25437 1 484 . 1 1 41 41 ILE CD1 C 13 13.640 0.400 . . . . . A 41 ILE CD1 . 25437 1 485 . 1 1 41 41 ILE N N 15 132.358 0.400 . . . . . A 41 ILE N . 25437 1 486 . 1 1 42 42 ARG H H 1 7.154 0.020 . . . . . A 42 ARG H . 25437 1 487 . 1 1 42 42 ARG HA H 1 4.725 0.020 . . . . . A 42 ARG HA . 25437 1 488 . 1 1 42 42 ARG HB2 H 1 1.663 0.020 . . . . . A 42 ARG HB2 . 25437 1 489 . 1 1 42 42 ARG HB3 H 1 1.463 0.020 . . . . . A 42 ARG HB3 . 25437 1 490 . 1 1 42 42 ARG HG2 H 1 1.520 0.020 . . . . . A 42 ARG HG2 . 25437 1 491 . 1 1 42 42 ARG HG3 H 1 1.520 0.020 . . . . . A 42 ARG HG3 . 25437 1 492 . 1 1 42 42 ARG HD2 H 1 2.914 0.020 . . . . . A 42 ARG HD2 . 25437 1 493 . 1 1 42 42 ARG HD3 H 1 2.914 0.020 . . . . . A 42 ARG HD3 . 25437 1 494 . 1 1 42 42 ARG CA C 13 54.576 0.400 . . . . . A 42 ARG CA . 25437 1 495 . 1 1 42 42 ARG CB C 13 33.425 0.400 . . . . . A 42 ARG CB . 25437 1 496 . 1 1 42 42 ARG CG C 13 27.276 0.400 . . . . . A 42 ARG CG . 25437 1 497 . 1 1 42 42 ARG CD C 13 43.434 0.400 . . . . . A 42 ARG CD . 25437 1 498 . 1 1 42 42 ARG N N 15 123.358 0.400 . . . . . A 42 ARG N . 25437 1 499 . 1 1 43 43 THR H H 1 8.519 0.020 . . . . . A 43 THR H . 25437 1 500 . 1 1 43 43 THR HA H 1 4.539 0.020 . . . . . A 43 THR HA . 25437 1 501 . 1 1 43 43 THR HB H 1 4.410 0.020 . . . . . A 43 THR HB . 25437 1 502 . 1 1 43 43 THR HG21 H 1 1.237 0.020 . . . . . A 43 THR HG21 . 25437 1 503 . 1 1 43 43 THR HG22 H 1 1.237 0.020 . . . . . A 43 THR HG22 . 25437 1 504 . 1 1 43 43 THR HG23 H 1 1.237 0.020 . . . . . A 43 THR HG23 . 25437 1 505 . 1 1 43 43 THR CA C 13 61.022 0.400 . . . . . A 43 THR CA . 25437 1 506 . 1 1 43 43 THR CB C 13 70.577 0.400 . . . . . A 43 THR CB . 25437 1 507 . 1 1 43 43 THR CG2 C 13 21.557 0.400 . . . . . A 43 THR CG2 . 25437 1 508 . 1 1 43 43 THR N N 15 115.494 0.400 . . . . . A 43 THR N . 25437 1 509 . 1 1 44 44 VAL H H 1 8.516 0.020 . . . . . A 44 VAL H . 25437 1 510 . 1 1 44 44 VAL HA H 1 3.956 0.020 . . . . . A 44 VAL HA . 25437 1 511 . 1 1 44 44 VAL HB H 1 2.088 0.020 . . . . . A 44 VAL HB . 25437 1 512 . 1 1 44 44 VAL HG11 H 1 1.002 0.020 . . . . . A 44 VAL HG11 . 25437 1 513 . 1 1 44 44 VAL HG12 H 1 1.002 0.020 . . . . . A 44 VAL HG12 . 25437 1 514 . 1 1 44 44 VAL HG13 H 1 1.002 0.020 . . . . . A 44 VAL HG13 . 25437 1 515 . 1 1 44 44 VAL HG21 H 1 0.953 0.020 . . . . . A 44 VAL HG21 . 25437 1 516 . 1 1 44 44 VAL HG22 H 1 0.953 0.020 . . . . . A 44 VAL HG22 . 25437 1 517 . 1 1 44 44 VAL HG23 H 1 0.953 0.020 . . . . . A 44 VAL HG23 . 25437 1 518 . 1 1 44 44 VAL CA C 13 63.977 0.400 . . . . . A 44 VAL CA . 25437 1 519 . 1 1 44 44 VAL CB C 13 32.313 0.400 . . . . . A 44 VAL CB . 25437 1 520 . 1 1 44 44 VAL CG1 C 13 21.084 0.400 . . . . . A 44 VAL CG1 . 25437 1 521 . 1 1 44 44 VAL CG2 C 13 21.084 0.400 . . . . . A 44 VAL CG2 . 25437 1 522 . 1 1 44 44 VAL N N 15 121.526 0.400 . . . . . A 44 VAL N . 25437 1 523 . 1 1 45 45 ALA H H 1 8.311 0.020 . . . . . A 45 ALA H . 25437 1 524 . 1 1 45 45 ALA HA H 1 4.260 0.020 . . . . . A 45 ALA HA . 25437 1 525 . 1 1 45 45 ALA HB1 H 1 1.393 0.020 . . . . . A 45 ALA HB1 . 25437 1 526 . 1 1 45 45 ALA HB2 H 1 1.393 0.020 . . . . . A 45 ALA HB2 . 25437 1 527 . 1 1 45 45 ALA HB3 H 1 1.393 0.020 . . . . . A 45 ALA HB3 . 25437 1 528 . 1 1 45 45 ALA CA C 13 53.278 0.400 . . . . . A 45 ALA CA . 25437 1 529 . 1 1 45 45 ALA CB C 13 18.641 0.400 . . . . . A 45 ALA CB . 25437 1 530 . 1 1 45 45 ALA N N 15 125.457 0.400 . . . . . A 45 ALA N . 25437 1 531 . 1 1 46 46 GLN H H 1 8.109 0.020 . . . . . A 46 GLN H . 25437 1 532 . 1 1 46 46 GLN HA H 1 4.232 0.020 . . . . . A 46 GLN HA . 25437 1 533 . 1 1 46 46 GLN HB2 H 1 1.978 0.020 . . . . . A 46 GLN HB2 . 25437 1 534 . 1 1 46 46 GLN HB3 H 1 2.074 0.020 . . . . . A 46 GLN HB3 . 25437 1 535 . 1 1 46 46 GLN HG2 H 1 2.381 0.020 . . . . . A 46 GLN HG2 . 25437 1 536 . 1 1 46 46 GLN HG3 H 1 2.357 0.020 . . . . . A 46 GLN HG3 . 25437 1 537 . 1 1 46 46 GLN CA C 13 56.717 0.400 . . . . . A 46 GLN CA . 25437 1 538 . 1 1 46 46 GLN CB C 13 28.901 0.400 . . . . . A 46 GLN CB . 25437 1 539 . 1 1 46 46 GLN CG C 13 33.927 0.400 . . . . . A 46 GLN CG . 25437 1 540 . 1 1 46 46 GLN N N 15 118.271 0.400 . . . . . A 46 GLN N . 25437 1 541 . 1 1 47 47 SER H H 1 8.199 0.020 . . . . . A 47 SER H . 25437 1 542 . 1 1 47 47 SER HA H 1 4.361 0.020 . . . . . A 47 SER HA . 25437 1 543 . 1 1 47 47 SER HB2 H 1 3.918 0.020 . . . . . A 47 SER HB2 . 25437 1 544 . 1 1 47 47 SER HB3 H 1 3.854 0.020 . . . . . A 47 SER HB3 . 25437 1 545 . 1 1 47 47 SER CA C 13 59.082 0.400 . . . . . A 47 SER CA . 25437 1 546 . 1 1 47 47 SER CB C 13 64.009 0.400 . . . . . A 47 SER CB . 25437 1 547 . 1 1 47 47 SER N N 15 116.127 0.400 . . . . . A 47 SER N . 25437 1 548 . 1 1 48 48 ALA H H 1 8.315 0.020 . . . . . A 48 ALA H . 25437 1 549 . 1 1 48 48 ALA HA H 1 4.253 0.020 . . . . . A 48 ALA HA . 25437 1 550 . 1 1 48 48 ALA HB1 H 1 1.393 0.020 . . . . . A 48 ALA HB1 . 25437 1 551 . 1 1 48 48 ALA HB2 H 1 1.393 0.020 . . . . . A 48 ALA HB2 . 25437 1 552 . 1 1 48 48 ALA HB3 H 1 1.393 0.020 . . . . . A 48 ALA HB3 . 25437 1 553 . 1 1 48 48 ALA CA C 13 53.325 0.400 . . . . . A 48 ALA CA . 25437 1 554 . 1 1 48 48 ALA CB C 13 18.552 0.400 . . . . . A 48 ALA CB . 25437 1 555 . 1 1 48 48 ALA N N 15 124.628 0.400 . . . . . A 48 ALA N . 25437 1 556 . 1 1 49 49 GLN H H 1 8.153 0.020 . . . . . A 49 GLN H . 25437 1 557 . 1 1 49 49 GLN HA H 1 4.232 0.020 . . . . . A 49 GLN HA . 25437 1 558 . 1 1 49 49 GLN HB2 H 1 1.979 0.020 . . . . . A 49 GLN HB2 . 25437 1 559 . 1 1 49 49 GLN HB3 H 1 2.075 0.020 . . . . . A 49 GLN HB3 . 25437 1 560 . 1 1 49 49 GLN HG2 H 1 2.379 0.020 . . . . . A 49 GLN HG2 . 25437 1 561 . 1 1 49 49 GLN HG3 H 1 2.379 0.020 . . . . . A 49 GLN HG3 . 25437 1 562 . 1 1 49 49 GLN HE21 H 1 6.742 0.020 . . . . . A 49 GLN HE21 . 25437 1 563 . 1 1 49 49 GLN HE22 H 1 7.708 0.020 . . . . . A 49 GLN HE22 . 25437 1 564 . 1 1 49 49 GLN CA C 13 56.850 0.400 . . . . . A 49 GLN CA . 25437 1 565 . 1 1 49 49 GLN CB C 13 28.992 0.400 . . . . . A 49 GLN CB . 25437 1 566 . 1 1 49 49 GLN CG C 13 33.927 0.400 . . . . . A 49 GLN CG . 25437 1 567 . 1 1 49 49 GLN N N 15 119.160 0.400 . . . . . A 49 GLN N . 25437 1 568 . 1 1 49 49 GLN NE2 N 15 111.753 0.400 . . . . . A 49 GLN NE2 . 25437 1 569 . 1 1 50 50 ASN H H 1 8.205 0.020 . . . . . A 50 ASN H . 25437 1 570 . 1 1 50 50 ASN HA H 1 4.660 0.020 . . . . . A 50 ASN HA . 25437 1 571 . 1 1 50 50 ASN HB2 H 1 2.812 0.020 . . . . . A 50 ASN HB2 . 25437 1 572 . 1 1 50 50 ASN HB3 H 1 2.781 0.020 . . . . . A 50 ASN HB3 . 25437 1 573 . 1 1 50 50 ASN HD21 H 1 7.659 0.020 . . . . . A 50 ASN HD21 . 25437 1 574 . 1 1 50 50 ASN HD22 H 1 6.765 0.020 . . . . . A 50 ASN HD22 . 25437 1 575 . 1 1 50 50 ASN CA C 13 53.572 0.400 . . . . . A 50 ASN CA . 25437 1 576 . 1 1 50 50 ASN CB C 13 38.376 0.400 . . . . . A 50 ASN CB . 25437 1 577 . 1 1 50 50 ASN N N 15 119.112 0.400 . . . . . A 50 ASN N . 25437 1 578 . 1 1 50 50 ASN ND2 N 15 113.122 0.400 . . . . . A 50 ASN ND2 . 25437 1 579 . 1 1 51 51 ILE H H 1 7.939 0.020 . . . . . A 51 ILE H . 25437 1 580 . 1 1 51 51 ILE HA H 1 4.095 0.020 . . . . . A 51 ILE HA . 25437 1 581 . 1 1 51 51 ILE HB H 1 1.850 0.020 . . . . . A 51 ILE HB . 25437 1 582 . 1 1 51 51 ILE HG12 H 1 1.436 0.020 . . . . . A 51 ILE HG12 . 25437 1 583 . 1 1 51 51 ILE HG13 H 1 1.114 0.020 . . . . . A 51 ILE HG13 . 25437 1 584 . 1 1 51 51 ILE HG21 H 1 0.874 0.020 . . . . . A 51 ILE HG21 . 25437 1 585 . 1 1 51 51 ILE HG22 H 1 0.874 0.020 . . . . . A 51 ILE HG22 . 25437 1 586 . 1 1 51 51 ILE HG23 H 1 0.874 0.020 . . . . . A 51 ILE HG23 . 25437 1 587 . 1 1 51 51 ILE HD11 H 1 0.795 0.020 . . . . . A 51 ILE HD11 . 25437 1 588 . 1 1 51 51 ILE HD12 H 1 0.795 0.020 . . . . . A 51 ILE HD12 . 25437 1 589 . 1 1 51 51 ILE HD13 H 1 0.795 0.020 . . . . . A 51 ILE HD13 . 25437 1 590 . 1 1 51 51 ILE CA C 13 61.954 0.400 . . . . . A 51 ILE CA . 25437 1 591 . 1 1 51 51 ILE CB C 13 38.414 0.400 . . . . . A 51 ILE CB . 25437 1 592 . 1 1 51 51 ILE CG1 C 13 27.277 0.400 . . . . . A 51 ILE CG1 . 25437 1 593 . 1 1 51 51 ILE CG2 C 13 17.261 0.400 . . . . . A 51 ILE CG2 . 25437 1 594 . 1 1 51 51 ILE CD1 C 13 13.029 0.400 . . . . . A 51 ILE CD1 . 25437 1 595 . 1 1 51 51 ILE N N 15 120.639 0.400 . . . . . A 51 ILE N . 25437 1 596 . 1 1 52 52 ALA H H 1 8.251 0.020 . . . . . A 52 ALA H . 25437 1 597 . 1 1 52 52 ALA HA H 1 4.246 0.020 . . . . . A 52 ALA HA . 25437 1 598 . 1 1 52 52 ALA HB1 H 1 1.371 0.020 . . . . . A 52 ALA HB1 . 25437 1 599 . 1 1 52 52 ALA HB2 H 1 1.371 0.020 . . . . . A 52 ALA HB2 . 25437 1 600 . 1 1 52 52 ALA HB3 H 1 1.371 0.020 . . . . . A 52 ALA HB3 . 25437 1 601 . 1 1 52 52 ALA CA C 13 53.189 0.400 . . . . . A 52 ALA CA . 25437 1 602 . 1 1 52 52 ALA CB C 13 18.453 0.400 . . . . . A 52 ALA CB . 25437 1 603 . 1 1 52 52 ALA N N 15 126.459 0.400 . . . . . A 52 ALA N . 25437 1 604 . 1 1 53 53 ASN H H 1 8.230 0.020 . . . . . A 53 ASN H . 25437 1 605 . 1 1 53 53 ASN HA H 1 4.648 0.020 . . . . . A 53 ASN HA . 25437 1 606 . 1 1 53 53 ASN HB2 H 1 2.808 0.020 . . . . . A 53 ASN HB2 . 25437 1 607 . 1 1 53 53 ASN HB3 H 1 2.808 0.020 . . . . . A 53 ASN HB3 . 25437 1 608 . 1 1 53 53 ASN CA C 13 53.425 0.400 . . . . . A 53 ASN CA . 25437 1 609 . 1 1 53 53 ASN CB C 13 38.600 0.400 . . . . . A 53 ASN CB . 25437 1 610 . 1 1 53 53 ASN N N 15 116.801 0.400 . . . . . A 53 ASN N . 25437 1 611 . 1 1 54 54 GLY H H 1 8.191 0.020 . . . . . A 54 GLY H . 25437 1 612 . 1 1 54 54 GLY HA2 H 1 3.920 0.020 . . . . . A 54 GLY HA2 . 25437 1 613 . 1 1 54 54 GLY HA3 H 1 4.013 0.020 . . . . . A 54 GLY HA3 . 25437 1 614 . 1 1 54 54 GLY CA C 13 45.746 0.400 . . . . . A 54 GLY CA . 25437 1 615 . 1 1 54 54 GLY N N 15 108.549 0.400 . . . . . A 54 GLY N . 25437 1 616 . 1 1 55 55 THR H H 1 8.003 0.020 . . . . . A 55 THR H . 25437 1 617 . 1 1 55 55 THR HA H 1 4.282 0.020 . . . . . A 55 THR HA . 25437 1 618 . 1 1 55 55 THR HB H 1 4.186 0.020 . . . . . A 55 THR HB . 25437 1 619 . 1 1 55 55 THR HG21 H 1 1.113 0.020 . . . . . A 55 THR HG21 . 25437 1 620 . 1 1 55 55 THR HG22 H 1 1.113 0.020 . . . . . A 55 THR HG22 . 25437 1 621 . 1 1 55 55 THR HG23 H 1 1.113 0.020 . . . . . A 55 THR HG23 . 25437 1 622 . 1 1 55 55 THR CA C 13 62.118 0.400 . . . . . A 55 THR CA . 25437 1 623 . 1 1 55 55 THR CB C 13 69.796 0.400 . . . . . A 55 THR CB . 25437 1 624 . 1 1 55 55 THR CG2 C 13 21.432 0.400 . . . . . A 55 THR CG2 . 25437 1 625 . 1 1 55 55 THR N N 15 112.528 0.400 . . . . . A 55 THR N . 25437 1 626 . 1 1 56 56 SER H H 1 8.043 0.020 . . . . . A 56 SER H . 25437 1 627 . 1 1 56 56 SER HA H 1 4.362 0.020 . . . . . A 56 SER HA . 25437 1 628 . 1 1 56 56 SER HB2 H 1 3.749 0.020 . . . . . A 56 SER HB2 . 25437 1 629 . 1 1 56 56 SER HB3 H 1 3.649 0.020 . . . . . A 56 SER HB3 . 25437 1 630 . 1 1 56 56 SER CA C 13 58.454 0.400 . . . . . A 56 SER CA . 25437 1 631 . 1 1 56 56 SER CB C 13 63.762 0.400 . . . . . A 56 SER CB . 25437 1 632 . 1 1 56 56 SER N N 15 116.986 0.400 . . . . . A 56 SER N . 25437 1 633 . 1 1 57 57 PHE H H 1 8.120 0.020 . . . . . A 57 PHE H . 25437 1 634 . 1 1 57 57 PHE HA H 1 4.579 0.020 . . . . . A 57 PHE HA . 25437 1 635 . 1 1 57 57 PHE HB2 H 1 3.078 0.020 . . . . . A 57 PHE HB2 . 25437 1 636 . 1 1 57 57 PHE HB3 H 1 2.971 0.020 . . . . . A 57 PHE HB3 . 25437 1 637 . 1 1 57 57 PHE HD1 H 1 7.150 0.020 . . . . . A 57 PHE HD1 . 25437 1 638 . 1 1 57 57 PHE HD2 H 1 7.150 0.020 . . . . . A 57 PHE HD2 . 25437 1 639 . 1 1 57 57 PHE HE1 H 1 7.334 0.020 . . . . . A 57 PHE HE1 . 25437 1 640 . 1 1 57 57 PHE HE2 H 1 7.334 0.020 . . . . . A 57 PHE HE2 . 25437 1 641 . 1 1 57 57 PHE HZ H 1 7.436 0.020 . . . . . A 57 PHE HZ . 25437 1 642 . 1 1 57 57 PHE CA C 13 57.929 0.400 . . . . . A 57 PHE CA . 25437 1 643 . 1 1 57 57 PHE CB C 13 39.068 0.400 . . . . . A 57 PHE CB . 25437 1 644 . 1 1 57 57 PHE CD1 C 13 132.190 0.400 . . . . . A 57 PHE CD1 . 25437 1 645 . 1 1 57 57 PHE CD2 C 13 132.190 0.400 . . . . . A 57 PHE CD2 . 25437 1 646 . 1 1 57 57 PHE CE1 C 13 131.652 0.400 . . . . . A 57 PHE CE1 . 25437 1 647 . 1 1 57 57 PHE CE2 C 13 131.652 0.400 . . . . . A 57 PHE CE2 . 25437 1 648 . 1 1 57 57 PHE CZ C 13 129.910 0.400 . . . . . A 57 PHE CZ . 25437 1 649 . 1 1 57 57 PHE N N 15 121.981 0.400 . . . . . A 57 PHE N . 25437 1 650 . 1 1 58 58 LEU H H 1 7.806 0.020 . . . . . A 58 LEU H . 25437 1 651 . 1 1 58 58 LEU HA H 1 4.174 0.020 . . . . . A 58 LEU HA . 25437 1 652 . 1 1 58 58 LEU HB2 H 1 1.507 0.020 . . . . . A 58 LEU HB2 . 25437 1 653 . 1 1 58 58 LEU HB3 H 1 1.631 0.020 . . . . . A 58 LEU HB3 . 25437 1 654 . 1 1 58 58 LEU HG H 1 1.432 0.020 . . . . . A 58 LEU HG . 25437 1 655 . 1 1 58 58 LEU HD11 H 1 0.834 0.020 . . . . . A 58 LEU HD11 . 25437 1 656 . 1 1 58 58 LEU HD12 H 1 0.834 0.020 . . . . . A 58 LEU HD12 . 25437 1 657 . 1 1 58 58 LEU HD13 H 1 0.834 0.020 . . . . . A 58 LEU HD13 . 25437 1 658 . 1 1 58 58 LEU HD21 H 1 0.801 0.020 . . . . . A 58 LEU HD21 . 25437 1 659 . 1 1 58 58 LEU HD22 H 1 0.801 0.020 . . . . . A 58 LEU HD22 . 25437 1 660 . 1 1 58 58 LEU HD23 H 1 0.801 0.020 . . . . . A 58 LEU HD23 . 25437 1 661 . 1 1 58 58 LEU CA C 13 55.350 0.400 . . . . . A 58 LEU CA . 25437 1 662 . 1 1 58 58 LEU CB C 13 42.340 0.400 . . . . . A 58 LEU CB . 25437 1 663 . 1 1 58 58 LEU CG C 13 26.616 0.400 . . . . . A 58 LEU CG . 25437 1 664 . 1 1 58 58 LEU CD1 C 13 25.032 0.400 . . . . . A 58 LEU CD1 . 25437 1 665 . 1 1 58 58 LEU CD2 C 13 23.349 0.400 . . . . . A 58 LEU CD2 . 25437 1 666 . 1 1 58 58 LEU N N 15 121.621 0.400 . . . . . A 58 LEU N . 25437 1 667 . 1 1 59 59 LYS H H 1 8.068 0.020 . . . . . A 59 LYS H . 25437 1 668 . 1 1 59 59 LYS HA H 1 4.230 0.020 . . . . . A 59 LYS HA . 25437 1 669 . 1 1 59 59 LYS HB2 H 1 1.783 0.020 . . . . . A 59 LYS HB2 . 25437 1 670 . 1 1 59 59 LYS HB3 H 1 1.651 0.020 . . . . . A 59 LYS HB3 . 25437 1 671 . 1 1 59 59 LYS HG2 H 1 1.424 0.020 . . . . . A 59 LYS HG2 . 25437 1 672 . 1 1 59 59 LYS HG3 H 1 1.424 0.020 . . . . . A 59 LYS HG3 . 25437 1 673 . 1 1 59 59 LYS HD2 H 1 1.622 0.020 . . . . . A 59 LYS HD2 . 25437 1 674 . 1 1 59 59 LYS HD3 H 1 1.622 0.020 . . . . . A 59 LYS HD3 . 25437 1 675 . 1 1 59 59 LYS HE2 H 1 2.941 0.020 . . . . . A 59 LYS HE2 . 25437 1 676 . 1 1 59 59 LYS HE3 H 1 2.941 0.020 . . . . . A 59 LYS HE3 . 25437 1 677 . 1 1 59 59 LYS CA C 13 55.823 0.400 . . . . . A 59 LYS CA . 25437 1 678 . 1 1 59 59 LYS CB C 13 32.616 0.400 . . . . . A 59 LYS CB . 25437 1 679 . 1 1 59 59 LYS CG C 13 24.749 0.400 . . . . . A 59 LYS CG . 25437 1 680 . 1 1 59 59 LYS CD C 13 29.105 0.400 . . . . . A 59 LYS CD . 25437 1 681 . 1 1 59 59 LYS CE C 13 42.172 0.400 . . . . . A 59 LYS CE . 25437 1 682 . 1 1 59 59 LYS N N 15 120.388 0.400 . . . . . A 59 LYS N . 25437 1 683 . 1 1 60 60 ASP H H 1 7.959 0.020 . . . . . A 60 ASP H . 25437 1 684 . 1 1 60 60 ASP HA H 1 4.828 0.020 . . . . . A 60 ASP HA . 25437 1 685 . 1 1 60 60 ASP HB2 H 1 2.563 0.020 . . . . . A 60 ASP HB2 . 25437 1 686 . 1 1 60 60 ASP HB3 H 1 2.563 0.020 . . . . . A 60 ASP HB3 . 25437 1 687 . 1 1 60 60 ASP CA C 13 53.698 0.400 . . . . . A 60 ASP CA . 25437 1 688 . 1 1 60 60 ASP CB C 13 41.652 0.400 . . . . . A 60 ASP CB . 25437 1 689 . 1 1 60 60 ASP N N 15 121.094 0.400 . . . . . A 60 ASP N . 25437 1 690 . 1 1 61 61 PRO HA H 1 4.388 0.020 . . . . . A 61 PRO HA . 25437 1 691 . 1 1 61 61 PRO HB2 H 1 2.300 0.020 . . . . . A 61 PRO HB2 . 25437 1 692 . 1 1 61 61 PRO HB3 H 1 1.891 0.020 . . . . . A 61 PRO HB3 . 25437 1 693 . 1 1 61 61 PRO HG2 H 1 2.022 0.020 . . . . . A 61 PRO HG2 . 25437 1 694 . 1 1 61 61 PRO HG3 H 1 2.022 0.020 . . . . . A 61 PRO HG3 . 25437 1 695 . 1 1 61 61 PRO HD2 H 1 3.735 0.020 . . . . . A 61 PRO HD2 . 25437 1 696 . 1 1 61 61 PRO HD3 H 1 3.862 0.020 . . . . . A 61 PRO HD3 . 25437 1 697 . 1 1 61 61 PRO CA C 13 63.263 0.400 . . . . . A 61 PRO CA . 25437 1 698 . 1 1 61 61 PRO CB C 13 31.697 0.400 . . . . . A 61 PRO CB . 25437 1 699 . 1 1 61 61 PRO CG C 13 27.052 0.400 . . . . . A 61 PRO CG . 25437 1 700 . 1 1 61 61 PRO CD C 13 50.758 0.400 . . . . . A 61 PRO CD . 25437 1 701 . 1 1 62 62 SER H H 1 8.420 0.020 . . . . . A 62 SER H . 25437 1 702 . 1 1 62 62 SER HA H 1 4.365 0.020 . . . . . A 62 SER HA . 25437 1 703 . 1 1 62 62 SER HB2 H 1 3.919 0.020 . . . . . A 62 SER HB2 . 25437 1 704 . 1 1 62 62 SER HB3 H 1 3.852 0.020 . . . . . A 62 SER HB3 . 25437 1 705 . 1 1 62 62 SER CA C 13 59.258 0.400 . . . . . A 62 SER CA . 25437 1 706 . 1 1 62 62 SER CB C 13 63.634 0.400 . . . . . A 62 SER CB . 25437 1 707 . 1 1 62 62 SER N N 15 115.353 0.400 . . . . . A 62 SER N . 25437 1 708 . 1 1 63 63 LYS H H 1 8.405 0.020 . . . . . A 63 LYS H . 25437 1 709 . 1 1 63 63 LYS HA H 1 4.266 0.020 . . . . . A 63 LYS HA . 25437 1 710 . 1 1 63 63 LYS HB2 H 1 1.687 0.020 . . . . . A 63 LYS HB2 . 25437 1 711 . 1 1 63 63 LYS HB3 H 1 1.687 0.020 . . . . . A 63 LYS HB3 . 25437 1 712 . 1 1 63 63 LYS HG2 H 1 1.394 0.020 . . . . . A 63 LYS HG2 . 25437 1 713 . 1 1 63 63 LYS HG3 H 1 1.394 0.020 . . . . . A 63 LYS HG3 . 25437 1 714 . 1 1 63 63 LYS HD2 H 1 1.682 0.020 . . . . . A 63 LYS HD2 . 25437 1 715 . 1 1 63 63 LYS HD3 H 1 1.682 0.020 . . . . . A 63 LYS HD3 . 25437 1 716 . 1 1 63 63 LYS HE2 H 1 3.006 0.020 . . . . . A 63 LYS HE2 . 25437 1 717 . 1 1 63 63 LYS HE3 H 1 3.006 0.020 . . . . . A 63 LYS HE3 . 25437 1 718 . 1 1 63 63 LYS CA C 13 56.628 0.400 . . . . . A 63 LYS CA . 25437 1 719 . 1 1 63 63 LYS CB C 13 29.327 0.400 . . . . . A 63 LYS CB . 25437 1 720 . 1 1 63 63 LYS CG C 13 24.836 0.400 . . . . . A 63 LYS CG . 25437 1 721 . 1 1 63 63 LYS CD C 13 28.853 0.400 . . . . . A 63 LYS CD . 25437 1 722 . 1 1 63 63 LYS CE C 13 41.892 0.400 . . . . . A 63 LYS CE . 25437 1 723 . 1 1 63 63 LYS N N 15 122.360 0.400 . . . . . A 63 LYS N . 25437 1 724 . 1 1 65 65 LYS H H 1 8.369 0.020 . . . . . A 65 LYS H . 25437 1 725 . 1 1 65 65 LYS HA H 1 4.146 0.020 . . . . . A 65 LYS HA . 25437 1 726 . 1 1 65 65 LYS HB2 H 1 1.823 0.020 . . . . . A 65 LYS HB2 . 25437 1 727 . 1 1 65 65 LYS HB3 H 1 1.801 0.020 . . . . . A 65 LYS HB3 . 25437 1 728 . 1 1 65 65 LYS HG2 H 1 0.765 0.020 . . . . . A 65 LYS HG2 . 25437 1 729 . 1 1 65 65 LYS HG3 H 1 0.765 0.020 . . . . . A 65 LYS HG3 . 25437 1 730 . 1 1 65 65 LYS HD2 H 1 1.637 0.020 . . . . . A 65 LYS HD2 . 25437 1 731 . 1 1 65 65 LYS HD3 H 1 1.637 0.020 . . . . . A 65 LYS HD3 . 25437 1 732 . 1 1 65 65 LYS CA C 13 63.350 0.400 . . . . . A 65 LYS CA . 25437 1 733 . 1 1 65 65 LYS CB C 13 31.891 0.400 . . . . . A 65 LYS CB . 25437 1 734 . 1 1 65 65 LYS CG C 13 24.729 0.400 . . . . . A 65 LYS CG . 25437 1 735 . 1 1 65 65 LYS N N 15 125.418 0.400 . . . . . A 65 LYS N . 25437 1 736 . 1 1 66 66 HIS H H 1 8.758 0.020 . . . . . A 66 HIS H . 25437 1 737 . 1 1 66 66 HIS HA H 1 4.545 0.020 . . . . . A 66 HIS HA . 25437 1 738 . 1 1 66 66 HIS HB2 H 1 3.208 0.020 . . . . . A 66 HIS HB2 . 25437 1 739 . 1 1 66 66 HIS HB3 H 1 3.249 0.020 . . . . . A 66 HIS HB3 . 25437 1 740 . 1 1 66 66 HIS HD2 H 1 7.308 0.020 . . . . . A 66 HIS HD2 . 25437 1 741 . 1 1 66 66 HIS HE1 H 1 7.247 0.020 . . . . . A 66 HIS HE1 . 25437 1 742 . 1 1 66 66 HIS CA C 13 59.256 0.400 . . . . . A 66 HIS CA . 25437 1 743 . 1 1 66 66 HIS CB C 13 28.619 0.400 . . . . . A 66 HIS CB . 25437 1 744 . 1 1 66 66 HIS CD2 C 13 119.625 0.400 . . . . . A 66 HIS CD2 . 25437 1 745 . 1 1 66 66 HIS CE1 C 13 138.687 0.400 . . . . . A 66 HIS CE1 . 25437 1 746 . 1 1 66 66 HIS N N 15 121.236 0.400 . . . . . A 66 HIS N . 25437 1 747 . 1 1 67 67 ILE H H 1 7.849 0.020 . . . . . A 67 ILE H . 25437 1 748 . 1 1 67 67 ILE HA H 1 4.372 0.020 . . . . . A 67 ILE HA . 25437 1 749 . 1 1 67 67 ILE HB H 1 2.178 0.020 . . . . . A 67 ILE HB . 25437 1 750 . 1 1 67 67 ILE HG12 H 1 1.686 0.020 . . . . . A 67 ILE HG12 . 25437 1 751 . 1 1 67 67 ILE HG13 H 1 1.336 0.020 . . . . . A 67 ILE HG13 . 25437 1 752 . 1 1 67 67 ILE HG21 H 1 1.038 0.020 . . . . . A 67 ILE HG21 . 25437 1 753 . 1 1 67 67 ILE HG22 H 1 1.038 0.020 . . . . . A 67 ILE HG22 . 25437 1 754 . 1 1 67 67 ILE HG23 H 1 1.038 0.020 . . . . . A 67 ILE HG23 . 25437 1 755 . 1 1 67 67 ILE HD11 H 1 0.929 0.020 . . . . . A 67 ILE HD11 . 25437 1 756 . 1 1 67 67 ILE HD12 H 1 0.929 0.020 . . . . . A 67 ILE HD12 . 25437 1 757 . 1 1 67 67 ILE HD13 H 1 0.929 0.020 . . . . . A 67 ILE HD13 . 25437 1 758 . 1 1 67 67 ILE CA C 13 63.961 0.400 . . . . . A 67 ILE CA . 25437 1 759 . 1 1 67 67 ILE CB C 13 37.935 0.400 . . . . . A 67 ILE CB . 25437 1 760 . 1 1 67 67 ILE CG1 C 13 28.828 0.400 . . . . . A 67 ILE CG1 . 25437 1 761 . 1 1 67 67 ILE CG2 C 13 17.142 0.400 . . . . . A 67 ILE CG2 . 25437 1 762 . 1 1 67 67 ILE CD1 C 13 12.892 0.400 . . . . . A 67 ILE CD1 . 25437 1 763 . 1 1 67 67 ILE N N 15 120.137 0.400 . . . . . A 67 ILE N . 25437 1 764 . 1 1 68 68 THR H H 1 7.168 0.020 . . . . . A 68 THR H . 25437 1 765 . 1 1 68 68 THR HA H 1 4.397 0.020 . . . . . A 68 THR HA . 25437 1 766 . 1 1 68 68 THR HB H 1 4.708 0.020 . . . . . A 68 THR HB . 25437 1 767 . 1 1 68 68 THR HG21 H 1 1.226 0.020 . . . . . A 68 THR HG21 . 25437 1 768 . 1 1 68 68 THR HG22 H 1 1.226 0.020 . . . . . A 68 THR HG22 . 25437 1 769 . 1 1 68 68 THR HG23 H 1 1.226 0.020 . . . . . A 68 THR HG23 . 25437 1 770 . 1 1 68 68 THR CA C 13 61.343 0.400 . . . . . A 68 THR CA . 25437 1 771 . 1 1 68 68 THR CB C 13 68.473 0.400 . . . . . A 68 THR CB . 25437 1 772 . 1 1 68 68 THR CG2 C 13 22.056 0.400 . . . . . A 68 THR CG2 . 25437 1 773 . 1 1 68 68 THR N N 15 104.067 0.400 . . . . . A 68 THR N . 25437 1 774 . 1 1 69 69 GLY H H 1 7.169 0.020 . . . . . A 69 GLY H . 25437 1 775 . 1 1 69 69 GLY HA2 H 1 4.423 0.020 . . . . . A 69 GLY HA2 . 25437 1 776 . 1 1 69 69 GLY HA3 H 1 4.068 0.020 . . . . . A 69 GLY HA3 . 25437 1 777 . 1 1 69 69 GLY CA C 13 46.665 0.400 . . . . . A 69 GLY CA . 25437 1 778 . 1 1 69 69 GLY N N 15 107.308 0.400 . . . . . A 69 GLY N . 25437 1 779 . 1 1 70 70 ASP H H 1 7.644 0.020 . . . . . A 70 ASP H . 25437 1 780 . 1 1 70 70 ASP HA H 1 4.734 0.020 . . . . . A 70 ASP HA . 25437 1 781 . 1 1 70 70 ASP HB2 H 1 3.004 0.020 . . . . . A 70 ASP HB2 . 25437 1 782 . 1 1 70 70 ASP HB3 H 1 2.527 0.020 . . . . . A 70 ASP HB3 . 25437 1 783 . 1 1 70 70 ASP CA C 13 54.627 0.400 . . . . . A 70 ASP CA . 25437 1 784 . 1 1 70 70 ASP CB C 13 44.451 0.400 . . . . . A 70 ASP CB . 25437 1 785 . 1 1 70 70 ASP N N 15 114.629 0.400 . . . . . A 70 ASP N . 25437 1 786 . 1 1 71 71 ALA H H 1 7.529 0.020 . . . . . A 71 ALA H . 25437 1 787 . 1 1 71 71 ALA HA H 1 5.062 0.020 . . . . . A 71 ALA HA . 25437 1 788 . 1 1 71 71 ALA HB1 H 1 0.040 0.020 . . . . . A 71 ALA HB1 . 25437 1 789 . 1 1 71 71 ALA HB2 H 1 0.040 0.020 . . . . . A 71 ALA HB2 . 25437 1 790 . 1 1 71 71 ALA HB3 H 1 0.040 0.020 . . . . . A 71 ALA HB3 . 25437 1 791 . 1 1 71 71 ALA CA C 13 51.498 0.400 . . . . . A 71 ALA CA . 25437 1 792 . 1 1 71 71 ALA CB C 13 21.994 0.400 . . . . . A 71 ALA CB . 25437 1 793 . 1 1 71 71 ALA N N 15 118.917 0.400 . . . . . A 71 ALA N . 25437 1 794 . 1 1 72 72 ILE H H 1 8.449 0.020 . . . . . A 72 ILE H . 25437 1 795 . 1 1 72 72 ILE HA H 1 5.249 0.020 . . . . . A 72 ILE HA . 25437 1 796 . 1 1 72 72 ILE HB H 1 1.833 0.020 . . . . . A 72 ILE HB . 25437 1 797 . 1 1 72 72 ILE HG12 H 1 1.503 0.020 . . . . . A 72 ILE HG12 . 25437 1 798 . 1 1 72 72 ILE HG13 H 1 1.531 0.020 . . . . . A 72 ILE HG13 . 25437 1 799 . 1 1 72 72 ILE HG21 H 1 0.965 0.020 . . . . . A 72 ILE HG21 . 25437 1 800 . 1 1 72 72 ILE HG22 H 1 0.965 0.020 . . . . . A 72 ILE HG22 . 25437 1 801 . 1 1 72 72 ILE HG23 H 1 0.965 0.020 . . . . . A 72 ILE HG23 . 25437 1 802 . 1 1 72 72 ILE HD11 H 1 0.911 0.020 . . . . . A 72 ILE HD11 . 25437 1 803 . 1 1 72 72 ILE HD12 H 1 0.911 0.020 . . . . . A 72 ILE HD12 . 25437 1 804 . 1 1 72 72 ILE HD13 H 1 0.911 0.020 . . . . . A 72 ILE HD13 . 25437 1 805 . 1 1 72 72 ILE CA C 13 58.821 0.400 . . . . . A 72 ILE CA . 25437 1 806 . 1 1 72 72 ILE CB C 13 43.709 0.400 . . . . . A 72 ILE CB . 25437 1 807 . 1 1 72 72 ILE CG1 C 13 25.762 0.400 . . . . . A 72 ILE CG1 . 25437 1 808 . 1 1 72 72 ILE CG2 C 13 20.904 0.400 . . . . . A 72 ILE CG2 . 25437 1 809 . 1 1 72 72 ILE CD1 C 13 15.045 0.400 . . . . . A 72 ILE CD1 . 25437 1 810 . 1 1 72 72 ILE N N 15 110.818 0.400 . . . . . A 72 ILE N . 25437 1 811 . 1 1 73 73 ASP H H 1 8.442 0.020 . . . . . A 73 ASP H . 25437 1 812 . 1 1 73 73 ASP HA H 1 6.094 0.020 . . . . . A 73 ASP HA . 25437 1 813 . 1 1 73 73 ASP HB2 H 1 2.972 0.020 . . . . . A 73 ASP HB2 . 25437 1 814 . 1 1 73 73 ASP HB3 H 1 2.466 0.020 . . . . . A 73 ASP HB3 . 25437 1 815 . 1 1 73 73 ASP CA C 13 52.090 0.400 . . . . . A 73 ASP CA . 25437 1 816 . 1 1 73 73 ASP CB C 13 42.655 0.400 . . . . . A 73 ASP CB . 25437 1 817 . 1 1 73 73 ASP N N 15 117.790 0.400 . . . . . A 73 ASP N . 25437 1 818 . 1 1 74 74 PHE H H 1 9.463 0.020 . . . . . A 74 PHE H . 25437 1 819 . 1 1 74 74 PHE HA H 1 6.173 0.020 . . . . . A 74 PHE HA . 25437 1 820 . 1 1 74 74 PHE HB2 H 1 2.527 0.020 . . . . . A 74 PHE HB2 . 25437 1 821 . 1 1 74 74 PHE HB3 H 1 3.391 0.020 . . . . . A 74 PHE HB3 . 25437 1 822 . 1 1 74 74 PHE HD1 H 1 6.483 0.020 . . . . . A 74 PHE HD1 . 25437 1 823 . 1 1 74 74 PHE HD2 H 1 6.483 0.020 . . . . . A 74 PHE HD2 . 25437 1 824 . 1 1 74 74 PHE HE1 H 1 7.297 0.020 . . . . . A 74 PHE HE1 . 25437 1 825 . 1 1 74 74 PHE HE2 H 1 7.297 0.020 . . . . . A 74 PHE HE2 . 25437 1 826 . 1 1 74 74 PHE HZ H 1 6.783 0.020 . . . . . A 74 PHE HZ . 25437 1 827 . 1 1 74 74 PHE CA C 13 54.775 0.400 . . . . . A 74 PHE CA . 25437 1 828 . 1 1 74 74 PHE CB C 13 44.115 0.400 . . . . . A 74 PHE CB . 25437 1 829 . 1 1 74 74 PHE CD1 C 13 132.699 0.400 . . . . . A 74 PHE CD1 . 25437 1 830 . 1 1 74 74 PHE CD2 C 13 132.733 0.400 . . . . . A 74 PHE CD2 . 25437 1 831 . 1 1 74 74 PHE CE1 C 13 130.163 0.400 . . . . . A 74 PHE CE1 . 25437 1 832 . 1 1 74 74 PHE CE2 C 13 130.163 0.400 . . . . . A 74 PHE CE2 . 25437 1 833 . 1 1 74 74 PHE CZ C 13 130.494 0.400 . . . . . A 74 PHE CZ . 25437 1 834 . 1 1 74 74 PHE N N 15 122.479 0.400 . . . . . A 74 PHE N . 25437 1 835 . 1 1 75 75 ALA H H 1 8.575 0.020 . . . . . A 75 ALA H . 25437 1 836 . 1 1 75 75 ALA HA H 1 4.453 0.020 . . . . . A 75 ALA HA . 25437 1 837 . 1 1 75 75 ALA HB1 H 1 0.649 0.020 . . . . . A 75 ALA HB1 . 25437 1 838 . 1 1 75 75 ALA HB2 H 1 0.649 0.020 . . . . . A 75 ALA HB2 . 25437 1 839 . 1 1 75 75 ALA HB3 H 1 0.649 0.020 . . . . . A 75 ALA HB3 . 25437 1 840 . 1 1 75 75 ALA CA C 13 50.134 0.400 . . . . . A 75 ALA CA . 25437 1 841 . 1 1 75 75 ALA CB C 13 21.020 0.400 . . . . . A 75 ALA CB . 25437 1 842 . 1 1 75 75 ALA N N 15 118.862 0.400 . . . . . A 75 ALA N . 25437 1 843 . 1 1 76 76 PRO HA H 1 4.466 0.020 . . . . . A 76 PRO HA . 25437 1 844 . 1 1 76 76 PRO HB2 H 1 1.755 0.020 . . . . . A 76 PRO HB2 . 25437 1 845 . 1 1 76 76 PRO HB3 H 1 1.687 0.020 . . . . . A 76 PRO HB3 . 25437 1 846 . 1 1 76 76 PRO HG2 H 1 1.744 0.020 . . . . . A 76 PRO HG2 . 25437 1 847 . 1 1 76 76 PRO HG3 H 1 1.046 0.020 . . . . . A 76 PRO HG3 . 25437 1 848 . 1 1 76 76 PRO HD2 H 1 2.728 0.020 . . . . . A 76 PRO HD2 . 25437 1 849 . 1 1 76 76 PRO HD3 H 1 2.198 0.020 . . . . . A 76 PRO HD3 . 25437 1 850 . 1 1 76 76 PRO CA C 13 62.353 0.400 . . . . . A 76 PRO CA . 25437 1 851 . 1 1 76 76 PRO CB C 13 32.135 0.400 . . . . . A 76 PRO CB . 25437 1 852 . 1 1 76 76 PRO CG C 13 27.654 0.400 . . . . . A 76 PRO CG . 25437 1 853 . 1 1 76 76 PRO CD C 13 50.326 0.400 . . . . . A 76 PRO CD . 25437 1 854 . 1 1 77 77 TYR H H 1 8.357 0.020 . . . . . A 77 TYR H . 25437 1 855 . 1 1 77 77 TYR HA H 1 4.835 0.020 . . . . . A 77 TYR HA . 25437 1 856 . 1 1 77 77 TYR HB2 H 1 2.365 0.020 . . . . . A 77 TYR HB2 . 25437 1 857 . 1 1 77 77 TYR HB3 H 1 3.042 0.020 . . . . . A 77 TYR HB3 . 25437 1 858 . 1 1 77 77 TYR HD1 H 1 6.688 0.020 . . . . . A 77 TYR HD1 . 25437 1 859 . 1 1 77 77 TYR HD2 H 1 6.688 0.020 . . . . . A 77 TYR HD2 . 25437 1 860 . 1 1 77 77 TYR HE1 H 1 6.620 0.020 . . . . . A 77 TYR HE1 . 25437 1 861 . 1 1 77 77 TYR HE2 H 1 6.620 0.020 . . . . . A 77 TYR HE2 . 25437 1 862 . 1 1 77 77 TYR CA C 13 56.830 0.400 . . . . . A 77 TYR CA . 25437 1 863 . 1 1 77 77 TYR CB C 13 40.384 0.400 . . . . . A 77 TYR CB . 25437 1 864 . 1 1 77 77 TYR CD1 C 13 132.876 0.400 . . . . . A 77 TYR CD1 . 25437 1 865 . 1 1 77 77 TYR CD2 C 13 132.876 0.400 . . . . . A 77 TYR CD2 . 25437 1 866 . 1 1 77 77 TYR CE1 C 13 117.471 0.400 . . . . . A 77 TYR CE1 . 25437 1 867 . 1 1 77 77 TYR CE2 C 13 117.471 0.400 . . . . . A 77 TYR CE2 . 25437 1 868 . 1 1 77 77 TYR N N 15 126.211 0.400 . . . . . A 77 TYR N . 25437 1 869 . 1 1 78 78 ILE H H 1 8.334 0.020 . . . . . A 78 ILE H . 25437 1 870 . 1 1 78 78 ILE HA H 1 4.210 0.020 . . . . . A 78 ILE HA . 25437 1 871 . 1 1 78 78 ILE HB H 1 1.693 0.020 . . . . . A 78 ILE HB . 25437 1 872 . 1 1 78 78 ILE HG12 H 1 1.400 0.020 . . . . . A 78 ILE HG12 . 25437 1 873 . 1 1 78 78 ILE HG13 H 1 1.036 0.020 . . . . . A 78 ILE HG13 . 25437 1 874 . 1 1 78 78 ILE HG21 H 1 0.738 0.020 . . . . . A 78 ILE HG21 . 25437 1 875 . 1 1 78 78 ILE HG22 H 1 0.738 0.020 . . . . . A 78 ILE HG22 . 25437 1 876 . 1 1 78 78 ILE HG23 H 1 0.738 0.020 . . . . . A 78 ILE HG23 . 25437 1 877 . 1 1 78 78 ILE HD11 H 1 0.534 0.020 . . . . . A 78 ILE HD11 . 25437 1 878 . 1 1 78 78 ILE HD12 H 1 0.534 0.020 . . . . . A 78 ILE HD12 . 25437 1 879 . 1 1 78 78 ILE HD13 H 1 0.534 0.020 . . . . . A 78 ILE HD13 . 25437 1 880 . 1 1 78 78 ILE CA C 13 59.941 0.400 . . . . . A 78 ILE CA . 25437 1 881 . 1 1 78 78 ILE CB C 13 40.652 0.400 . . . . . A 78 ILE CB . 25437 1 882 . 1 1 78 78 ILE CG1 C 13 26.966 0.400 . . . . . A 78 ILE CG1 . 25437 1 883 . 1 1 78 78 ILE CG2 C 13 16.953 0.400 . . . . . A 78 ILE CG2 . 25437 1 884 . 1 1 78 78 ILE CD1 C 13 12.879 0.400 . . . . . A 78 ILE CD1 . 25437 1 885 . 1 1 78 78 ILE N N 15 124.613 0.400 . . . . . A 78 ILE N . 25437 1 886 . 1 1 79 79 ASN H H 1 9.444 0.020 . . . . . A 79 ASN H . 25437 1 887 . 1 1 79 79 ASN HA H 1 4.339 0.020 . . . . . A 79 ASN HA . 25437 1 888 . 1 1 79 79 ASN HB2 H 1 2.747 0.020 . . . . . A 79 ASN HB2 . 25437 1 889 . 1 1 79 79 ASN HB3 H 1 3.061 0.020 . . . . . A 79 ASN HB3 . 25437 1 890 . 1 1 79 79 ASN CA C 13 53.937 0.400 . . . . . A 79 ASN CA . 25437 1 891 . 1 1 79 79 ASN CB C 13 36.887 0.400 . . . . . A 79 ASN CB . 25437 1 892 . 1 1 79 79 ASN N N 15 126.361 0.400 . . . . . A 79 ASN N . 25437 1 893 . 1 1 80 80 GLY H H 1 8.240 0.020 . . . . . A 80 GLY H . 25437 1 894 . 1 1 80 80 GLY HA2 H 1 3.322 0.020 . . . . . A 80 GLY HA2 . 25437 1 895 . 1 1 80 80 GLY HA3 H 1 3.915 0.020 . . . . . A 80 GLY HA3 . 25437 1 896 . 1 1 80 80 GLY CA C 13 45.663 0.400 . . . . . A 80 GLY CA . 25437 1 897 . 1 1 80 80 GLY N N 15 102.068 0.400 . . . . . A 80 GLY N . 25437 1 898 . 1 1 81 81 LYS H H 1 7.046 0.020 . . . . . A 81 LYS H . 25437 1 899 . 1 1 81 81 LYS HA H 1 4.534 0.020 . . . . . A 81 LYS HA . 25437 1 900 . 1 1 81 81 LYS HB2 H 1 1.779 0.020 . . . . . A 81 LYS HB2 . 25437 1 901 . 1 1 81 81 LYS HB3 H 1 1.636 0.020 . . . . . A 81 LYS HB3 . 25437 1 902 . 1 1 81 81 LYS HG2 H 1 1.250 0.020 . . . . . A 81 LYS HG2 . 25437 1 903 . 1 1 81 81 LYS HG3 H 1 1.250 0.020 . . . . . A 81 LYS HG3 . 25437 1 904 . 1 1 81 81 LYS HD2 H 1 1.678 0.020 . . . . . A 81 LYS HD2 . 25437 1 905 . 1 1 81 81 LYS HD3 H 1 1.678 0.020 . . . . . A 81 LYS HD3 . 25437 1 906 . 1 1 81 81 LYS HE2 H 1 3.039 0.020 . . . . . A 81 LYS HE2 . 25437 1 907 . 1 1 81 81 LYS HE3 H 1 3.039 0.020 . . . . . A 81 LYS HE3 . 25437 1 908 . 1 1 81 81 LYS CA C 13 54.226 0.400 . . . . . A 81 LYS CA . 25437 1 909 . 1 1 81 81 LYS CB C 13 35.655 0.400 . . . . . A 81 LYS CB . 25437 1 910 . 1 1 81 81 LYS CG C 13 23.552 0.400 . . . . . A 81 LYS CG . 25437 1 911 . 1 1 81 81 LYS CD C 13 29.027 0.400 . . . . . A 81 LYS CD . 25437 1 912 . 1 1 81 81 LYS CE C 13 41.780 0.400 . . . . . A 81 LYS CE . 25437 1 913 . 1 1 81 81 LYS N N 15 117.260 0.400 . . . . . A 81 LYS N . 25437 1 914 . 1 1 82 82 ILE H H 1 8.418 0.020 . . . . . A 82 ILE H . 25437 1 915 . 1 1 82 82 ILE HA H 1 4.091 0.020 . . . . . A 82 ILE HA . 25437 1 916 . 1 1 82 82 ILE HB H 1 1.457 0.020 . . . . . A 82 ILE HB . 25437 1 917 . 1 1 82 82 ILE HG12 H 1 1.636 0.020 . . . . . A 82 ILE HG12 . 25437 1 918 . 1 1 82 82 ILE HG13 H 1 0.696 0.020 . . . . . A 82 ILE HG13 . 25437 1 919 . 1 1 82 82 ILE HG21 H 1 -0.119 0.020 . . . . . A 82 ILE HG21 . 25437 1 920 . 1 1 82 82 ILE HG22 H 1 -0.119 0.020 . . . . . A 82 ILE HG22 . 25437 1 921 . 1 1 82 82 ILE HG23 H 1 -0.119 0.020 . . . . . A 82 ILE HG23 . 25437 1 922 . 1 1 82 82 ILE HD11 H 1 0.786 0.020 . . . . . A 82 ILE HD11 . 25437 1 923 . 1 1 82 82 ILE HD12 H 1 0.786 0.020 . . . . . A 82 ILE HD12 . 25437 1 924 . 1 1 82 82 ILE HD13 H 1 0.786 0.020 . . . . . A 82 ILE HD13 . 25437 1 925 . 1 1 82 82 ILE CA C 13 62.621 0.400 . . . . . A 82 ILE CA . 25437 1 926 . 1 1 82 82 ILE CB C 13 37.833 0.400 . . . . . A 82 ILE CB . 25437 1 927 . 1 1 82 82 ILE CG1 C 13 28.406 0.400 . . . . . A 82 ILE CG1 . 25437 1 928 . 1 1 82 82 ILE CG2 C 13 16.318 0.400 . . . . . A 82 ILE CG2 . 25437 1 929 . 1 1 82 82 ILE CD1 C 13 13.275 0.400 . . . . . A 82 ILE CD1 . 25437 1 930 . 1 1 82 82 ILE N N 15 122.347 0.400 . . . . . A 82 ILE N . 25437 1 931 . 1 1 83 83 ASP H H 1 8.028 0.020 . . . . . A 83 ASP H . 25437 1 932 . 1 1 83 83 ASP HA H 1 4.808 0.020 . . . . . A 83 ASP HA . 25437 1 933 . 1 1 83 83 ASP HB2 H 1 2.557 0.020 . . . . . A 83 ASP HB2 . 25437 1 934 . 1 1 83 83 ASP HB3 H 1 2.764 0.020 . . . . . A 83 ASP HB3 . 25437 1 935 . 1 1 83 83 ASP CA C 13 51.619 0.400 . . . . . A 83 ASP CA . 25437 1 936 . 1 1 83 83 ASP CB C 13 41.079 0.400 . . . . . A 83 ASP CB . 25437 1 937 . 1 1 83 83 ASP N N 15 128.498 0.400 . . . . . A 83 ASP N . 25437 1 938 . 1 1 84 84 TRP H H 1 8.081 0.020 . . . . . A 84 TRP H . 25437 1 939 . 1 1 84 84 TRP HA H 1 4.574 0.020 . . . . . A 84 TRP HA . 25437 1 940 . 1 1 84 84 TRP HB2 H 1 3.556 0.020 . . . . . A 84 TRP HB2 . 25437 1 941 . 1 1 84 84 TRP HB3 H 1 2.929 0.020 . . . . . A 84 TRP HB3 . 25437 1 942 . 1 1 84 84 TRP HD1 H 1 7.297 0.020 . . . . . A 84 TRP HD1 . 25437 1 943 . 1 1 84 84 TRP HE1 H 1 10.115 0.020 . . . . . A 84 TRP HE1 . 25437 1 944 . 1 1 84 84 TRP HE3 H 1 7.170 0.020 . . . . . A 84 TRP HE3 . 25437 1 945 . 1 1 84 84 TRP HZ2 H 1 7.445 0.020 . . . . . A 84 TRP HZ2 . 25437 1 946 . 1 1 84 84 TRP HZ3 H 1 7.781 0.020 . . . . . A 84 TRP HZ3 . 25437 1 947 . 1 1 84 84 TRP HH2 H 1 7.144 0.020 . . . . . A 84 TRP HH2 . 25437 1 948 . 1 1 84 84 TRP CA C 13 58.456 0.400 . . . . . A 84 TRP CA . 25437 1 949 . 1 1 84 84 TRP CB C 13 30.177 0.400 . . . . . A 84 TRP CB . 25437 1 950 . 1 1 84 84 TRP CD1 C 13 127.617 0.400 . . . . . A 84 TRP CD1 . 25437 1 951 . 1 1 84 84 TRP CE3 C 13 121.748 0.400 . . . . . A 84 TRP CE3 . 25437 1 952 . 1 1 84 84 TRP CZ2 C 13 114.482 0.400 . . . . . A 84 TRP CZ2 . 25437 1 953 . 1 1 84 84 TRP CZ3 C 13 120.527 0.400 . . . . . A 84 TRP CZ3 . 25437 1 954 . 1 1 84 84 TRP CH2 C 13 124.539 0.400 . . . . . A 84 TRP CH2 . 25437 1 955 . 1 1 84 84 TRP N N 15 121.807 0.400 . . . . . A 84 TRP N . 25437 1 956 . 1 1 84 84 TRP NE1 N 15 128.972 0.400 . . . . . A 84 TRP NE1 . 25437 1 957 . 1 1 85 85 ASN H H 1 8.386 0.020 . . . . . A 85 ASN H . 25437 1 958 . 1 1 85 85 ASN HA H 1 4.975 0.020 . . . . . A 85 ASN HA . 25437 1 959 . 1 1 85 85 ASN HB2 H 1 2.825 0.020 . . . . . A 85 ASN HB2 . 25437 1 960 . 1 1 85 85 ASN HB3 H 1 2.985 0.020 . . . . . A 85 ASN HB3 . 25437 1 961 . 1 1 85 85 ASN HD21 H 1 7.690 0.020 . . . . . A 85 ASN HD21 . 25437 1 962 . 1 1 85 85 ASN HD22 H 1 6.716 0.020 . . . . . A 85 ASN HD22 . 25437 1 963 . 1 1 85 85 ASN CA C 13 53.430 0.400 . . . . . A 85 ASN CA . 25437 1 964 . 1 1 85 85 ASN CB C 13 40.162 0.400 . . . . . A 85 ASN CB . 25437 1 965 . 1 1 85 85 ASN N N 15 113.227 0.400 . . . . . A 85 ASN N . 25437 1 966 . 1 1 85 85 ASN ND2 N 15 113.376 0.400 . . . . . A 85 ASN ND2 . 25437 1 967 . 1 1 86 86 ASP H H 1 7.405 0.020 . . . . . A 86 ASP H . 25437 1 968 . 1 1 86 86 ASP HA H 1 4.813 0.020 . . . . . A 86 ASP HA . 25437 1 969 . 1 1 86 86 ASP HB2 H 1 2.854 0.020 . . . . . A 86 ASP HB2 . 25437 1 970 . 1 1 86 86 ASP HB3 H 1 2.560 0.020 . . . . . A 86 ASP HB3 . 25437 1 971 . 1 1 86 86 ASP CA C 13 52.255 0.400 . . . . . A 86 ASP CA . 25437 1 972 . 1 1 86 86 ASP CB C 13 37.613 0.400 . . . . . A 86 ASP CB . 25437 1 973 . 1 1 86 86 ASP N N 15 118.821 0.400 . . . . . A 86 ASP N . 25437 1 974 . 1 1 87 87 LEU H H 1 8.274 0.020 . . . . . A 87 LEU H . 25437 1 975 . 1 1 87 87 LEU HA H 1 4.055 0.020 . . . . . A 87 LEU HA . 25437 1 976 . 1 1 87 87 LEU HB2 H 1 1.633 0.020 . . . . . A 87 LEU HB2 . 25437 1 977 . 1 1 87 87 LEU HB3 H 1 1.284 0.020 . . . . . A 87 LEU HB3 . 25437 1 978 . 1 1 87 87 LEU HG H 1 1.573 0.020 . . . . . A 87 LEU HG . 25437 1 979 . 1 1 87 87 LEU HD11 H 1 0.823 0.020 . . . . . A 87 LEU HD11 . 25437 1 980 . 1 1 87 87 LEU HD12 H 1 0.823 0.020 . . . . . A 87 LEU HD12 . 25437 1 981 . 1 1 87 87 LEU HD13 H 1 0.823 0.020 . . . . . A 87 LEU HD13 . 25437 1 982 . 1 1 87 87 LEU HD21 H 1 0.676 0.020 . . . . . A 87 LEU HD21 . 25437 1 983 . 1 1 87 87 LEU HD22 H 1 0.676 0.020 . . . . . A 87 LEU HD22 . 25437 1 984 . 1 1 87 87 LEU HD23 H 1 0.676 0.020 . . . . . A 87 LEU HD23 . 25437 1 985 . 1 1 87 87 LEU CA C 13 58.321 0.400 . . . . . A 87 LEU CA . 25437 1 986 . 1 1 87 87 LEU CB C 13 40.887 0.400 . . . . . A 87 LEU CB . 25437 1 987 . 1 1 87 87 LEU CG C 13 26.912 0.400 . . . . . A 87 LEU CG . 25437 1 988 . 1 1 87 87 LEU CD1 C 13 24.623 0.400 . . . . . A 87 LEU CD1 . 25437 1 989 . 1 1 87 87 LEU CD2 C 13 22.885 0.400 . . . . . A 87 LEU CD2 . 25437 1 990 . 1 1 87 87 LEU N N 15 127.177 0.400 . . . . . A 87 LEU N . 25437 1 991 . 1 1 88 88 GLU H H 1 8.257 0.020 . . . . . A 88 GLU H . 25437 1 992 . 1 1 88 88 GLU HA H 1 3.938 0.020 . . . . . A 88 GLU HA . 25437 1 993 . 1 1 88 88 GLU HB2 H 1 2.004 0.020 . . . . . A 88 GLU HB2 . 25437 1 994 . 1 1 88 88 GLU HB3 H 1 2.004 0.020 . . . . . A 88 GLU HB3 . 25437 1 995 . 1 1 88 88 GLU HG2 H 1 2.244 0.020 . . . . . A 88 GLU HG2 . 25437 1 996 . 1 1 88 88 GLU HG3 H 1 2.244 0.020 . . . . . A 88 GLU HG3 . 25437 1 997 . 1 1 88 88 GLU CA C 13 59.437 0.400 . . . . . A 88 GLU CA . 25437 1 998 . 1 1 88 88 GLU CB C 13 27.987 0.400 . . . . . A 88 GLU CB . 25437 1 999 . 1 1 88 88 GLU CG C 13 34.837 0.400 . . . . . A 88 GLU CG . 25437 1 1000 . 1 1 88 88 GLU N N 15 114.132 0.400 . . . . . A 88 GLU N . 25437 1 1001 . 1 1 89 89 ALA H H 1 7.418 0.020 . . . . . A 89 ALA H . 25437 1 1002 . 1 1 89 89 ALA HA H 1 3.799 0.020 . . . . . A 89 ALA HA . 25437 1 1003 . 1 1 89 89 ALA HB1 H 1 0.685 0.020 . . . . . A 89 ALA HB1 . 25437 1 1004 . 1 1 89 89 ALA HB2 H 1 0.685 0.020 . . . . . A 89 ALA HB2 . 25437 1 1005 . 1 1 89 89 ALA HB3 H 1 0.685 0.020 . . . . . A 89 ALA HB3 . 25437 1 1006 . 1 1 89 89 ALA CA C 13 54.703 0.400 . . . . . A 89 ALA CA . 25437 1 1007 . 1 1 89 89 ALA CB C 13 17.635 0.400 . . . . . A 89 ALA CB . 25437 1 1008 . 1 1 89 89 ALA N N 15 122.075 0.400 . . . . . A 89 ALA N . 25437 1 1009 . 1 1 90 90 PHE H H 1 7.777 0.020 . . . . . A 90 PHE H . 25437 1 1010 . 1 1 90 90 PHE HA H 1 4.025 0.020 . . . . . A 90 PHE HA . 25437 1 1011 . 1 1 90 90 PHE HB2 H 1 3.073 0.020 . . . . . A 90 PHE HB2 . 25437 1 1012 . 1 1 90 90 PHE HB3 H 1 3.249 0.020 . . . . . A 90 PHE HB3 . 25437 1 1013 . 1 1 90 90 PHE HD1 H 1 7.220 0.020 . . . . . A 90 PHE HD1 . 25437 1 1014 . 1 1 90 90 PHE HD2 H 1 7.220 0.020 . . . . . A 90 PHE HD2 . 25437 1 1015 . 1 1 90 90 PHE HE1 H 1 7.285 0.020 . . . . . A 90 PHE HE1 . 25437 1 1016 . 1 1 90 90 PHE HE2 H 1 7.285 0.020 . . . . . A 90 PHE HE2 . 25437 1 1017 . 1 1 90 90 PHE HZ H 1 7.196 0.020 . . . . . A 90 PHE HZ . 25437 1 1018 . 1 1 90 90 PHE CA C 13 64.150 0.400 . . . . . A 90 PHE CA . 25437 1 1019 . 1 1 90 90 PHE CB C 13 38.965 0.400 . . . . . A 90 PHE CB . 25437 1 1020 . 1 1 90 90 PHE CD1 C 13 131.594 0.400 . . . . . A 90 PHE CD1 . 25437 1 1021 . 1 1 90 90 PHE CD2 C 13 131.594 0.400 . . . . . A 90 PHE CD2 . 25437 1 1022 . 1 1 90 90 PHE CE1 C 13 131.594 0.400 . . . . . A 90 PHE CE1 . 25437 1 1023 . 1 1 90 90 PHE CE2 C 13 131.594 0.400 . . . . . A 90 PHE CE2 . 25437 1 1024 . 1 1 90 90 PHE CZ C 13 129.851 0.400 . . . . . A 90 PHE CZ . 25437 1 1025 . 1 1 90 90 PHE N N 15 116.551 0.400 . . . . . A 90 PHE N . 25437 1 1026 . 1 1 91 91 TRP H H 1 7.821 0.020 . . . . . A 91 TRP H . 25437 1 1027 . 1 1 91 91 TRP HA H 1 4.578 0.020 . . . . . A 91 TRP HA . 25437 1 1028 . 1 1 91 91 TRP HB2 H 1 3.207 0.020 . . . . . A 91 TRP HB2 . 25437 1 1029 . 1 1 91 91 TRP HB3 H 1 3.176 0.020 . . . . . A 91 TRP HB3 . 25437 1 1030 . 1 1 91 91 TRP HD1 H 1 7.186 0.020 . . . . . A 91 TRP HD1 . 25437 1 1031 . 1 1 91 91 TRP HE1 H 1 10.077 0.020 . . . . . A 91 TRP HE1 . 25437 1 1032 . 1 1 91 91 TRP HE3 H 1 6.884 0.020 . . . . . A 91 TRP HE3 . 25437 1 1033 . 1 1 91 91 TRP HZ2 H 1 7.379 0.020 . . . . . A 91 TRP HZ2 . 25437 1 1034 . 1 1 91 91 TRP HZ3 H 1 7.418 0.020 . . . . . A 91 TRP HZ3 . 25437 1 1035 . 1 1 91 91 TRP HH2 H 1 7.074 0.020 . . . . . A 91 TRP HH2 . 25437 1 1036 . 1 1 91 91 TRP CA C 13 59.217 0.400 . . . . . A 91 TRP CA . 25437 1 1037 . 1 1 91 91 TRP CB C 13 29.802 0.400 . . . . . A 91 TRP CB . 25437 1 1038 . 1 1 91 91 TRP CD1 C 13 127.066 0.400 . . . . . A 91 TRP CD1 . 25437 1 1039 . 1 1 91 91 TRP CE3 C 13 121.184 0.400 . . . . . A 91 TRP CE3 . 25437 1 1040 . 1 1 91 91 TRP CZ2 C 13 114.527 0.400 . . . . . A 91 TRP CZ2 . 25437 1 1041 . 1 1 91 91 TRP CZ3 C 13 120.768 0.400 . . . . . A 91 TRP CZ3 . 25437 1 1042 . 1 1 91 91 TRP CH2 C 13 124.519 0.400 . . . . . A 91 TRP CH2 . 25437 1 1043 . 1 1 91 91 TRP N N 15 119.390 0.400 . . . . . A 91 TRP N . 25437 1 1044 . 1 1 91 91 TRP NE1 N 15 129.311 0.400 . . . . . A 91 TRP NE1 . 25437 1 1045 . 1 1 92 92 ALA H H 1 8.242 0.020 . . . . . A 92 ALA H . 25437 1 1046 . 1 1 92 92 ALA HA H 1 4.124 0.020 . . . . . A 92 ALA HA . 25437 1 1047 . 1 1 92 92 ALA HB1 H 1 1.843 0.020 . . . . . A 92 ALA HB1 . 25437 1 1048 . 1 1 92 92 ALA HB2 H 1 1.843 0.020 . . . . . A 92 ALA HB2 . 25437 1 1049 . 1 1 92 92 ALA HB3 H 1 1.843 0.020 . . . . . A 92 ALA HB3 . 25437 1 1050 . 1 1 92 92 ALA CA C 13 55.229 0.400 . . . . . A 92 ALA CA . 25437 1 1051 . 1 1 92 92 ALA CB C 13 18.870 0.400 . . . . . A 92 ALA CB . 25437 1 1052 . 1 1 92 92 ALA N N 15 121.275 0.400 . . . . . A 92 ALA N . 25437 1 1053 . 1 1 93 93 VAL H H 1 8.259 0.020 . . . . . A 93 VAL H . 25437 1 1054 . 1 1 93 93 VAL HA H 1 3.600 0.020 . . . . . A 93 VAL HA . 25437 1 1055 . 1 1 93 93 VAL HB H 1 1.781 0.020 . . . . . A 93 VAL HB . 25437 1 1056 . 1 1 93 93 VAL HG11 H 1 -0.574 0.020 . . . . . A 93 VAL HG11 . 25437 1 1057 . 1 1 93 93 VAL HG12 H 1 -0.574 0.020 . . . . . A 93 VAL HG12 . 25437 1 1058 . 1 1 93 93 VAL HG13 H 1 -0.574 0.020 . . . . . A 93 VAL HG13 . 25437 1 1059 . 1 1 93 93 VAL HG21 H 1 0.933 0.020 . . . . . A 93 VAL HG21 . 25437 1 1060 . 1 1 93 93 VAL HG22 H 1 0.933 0.020 . . . . . A 93 VAL HG22 . 25437 1 1061 . 1 1 93 93 VAL HG23 H 1 0.933 0.020 . . . . . A 93 VAL HG23 . 25437 1 1062 . 1 1 93 93 VAL CA C 13 66.424 0.400 . . . . . A 93 VAL CA . 25437 1 1063 . 1 1 93 93 VAL CB C 13 30.676 0.400 . . . . . A 93 VAL CB . 25437 1 1064 . 1 1 93 93 VAL CG1 C 13 21.760 0.400 . . . . . A 93 VAL CG1 . 25437 1 1065 . 1 1 93 93 VAL CG2 C 13 22.217 0.400 . . . . . A 93 VAL CG2 . 25437 1 1066 . 1 1 93 93 VAL N N 15 120.454 0.400 . . . . . A 93 VAL N . 25437 1 1067 . 1 1 94 94 LYS H H 1 8.382 0.020 . . . . . A 94 LYS H . 25437 1 1068 . 1 1 94 94 LYS HA H 1 3.690 0.020 . . . . . A 94 LYS HA . 25437 1 1069 . 1 1 94 94 LYS HB2 H 1 1.795 0.020 . . . . . A 94 LYS HB2 . 25437 1 1070 . 1 1 94 94 LYS HB3 H 1 1.795 0.020 . . . . . A 94 LYS HB3 . 25437 1 1071 . 1 1 94 94 LYS HG2 H 1 1.336 0.020 . . . . . A 94 LYS HG2 . 25437 1 1072 . 1 1 94 94 LYS HG3 H 1 1.336 0.020 . . . . . A 94 LYS HG3 . 25437 1 1073 . 1 1 94 94 LYS HD2 H 1 1.684 0.020 . . . . . A 94 LYS HD2 . 25437 1 1074 . 1 1 94 94 LYS HD3 H 1 1.684 0.020 . . . . . A 94 LYS HD3 . 25437 1 1075 . 1 1 94 94 LYS HE2 H 1 3.023 0.020 . . . . . A 94 LYS HE2 . 25437 1 1076 . 1 1 94 94 LYS HE3 H 1 3.023 0.020 . . . . . A 94 LYS HE3 . 25437 1 1077 . 1 1 94 94 LYS CA C 13 60.959 0.400 . . . . . A 94 LYS CA . 25437 1 1078 . 1 1 94 94 LYS CB C 13 31.484 0.400 . . . . . A 94 LYS CB . 25437 1 1079 . 1 1 94 94 LYS CG C 13 24.170 0.400 . . . . . A 94 LYS CG . 25437 1 1080 . 1 1 94 94 LYS CD C 13 29.415 0.400 . . . . . A 94 LYS CD . 25437 1 1081 . 1 1 94 94 LYS CE C 13 41.988 0.400 . . . . . A 94 LYS CE . 25437 1 1082 . 1 1 94 94 LYS N N 15 122.098 0.400 . . . . . A 94 LYS N . 25437 1 1083 . 1 1 95 95 LYS H H 1 7.957 0.020 . . . . . A 95 LYS H . 25437 1 1084 . 1 1 95 95 LYS HA H 1 3.958 0.020 . . . . . A 95 LYS HA . 25437 1 1085 . 1 1 95 95 LYS HB2 H 1 1.846 0.020 . . . . . A 95 LYS HB2 . 25437 1 1086 . 1 1 95 95 LYS HB3 H 1 1.846 0.020 . . . . . A 95 LYS HB3 . 25437 1 1087 . 1 1 95 95 LYS HG2 H 1 1.401 0.020 . . . . . A 95 LYS HG2 . 25437 1 1088 . 1 1 95 95 LYS HG3 H 1 1.472 0.020 . . . . . A 95 LYS HG3 . 25437 1 1089 . 1 1 95 95 LYS HD2 H 1 1.728 0.020 . . . . . A 95 LYS HD2 . 25437 1 1090 . 1 1 95 95 LYS HD3 H 1 1.728 0.020 . . . . . A 95 LYS HD3 . 25437 1 1091 . 1 1 95 95 LYS HE2 H 1 2.990 0.020 . . . . . A 95 LYS HE2 . 25437 1 1092 . 1 1 95 95 LYS HE3 H 1 2.990 0.020 . . . . . A 95 LYS HE3 . 25437 1 1093 . 1 1 95 95 LYS CA C 13 59.212 0.400 . . . . . A 95 LYS CA . 25437 1 1094 . 1 1 95 95 LYS CB C 13 31.219 0.400 . . . . . A 95 LYS CB . 25437 1 1095 . 1 1 95 95 LYS CG C 13 24.309 0.400 . . . . . A 95 LYS CG . 25437 1 1096 . 1 1 95 95 LYS CD C 13 28.872 0.400 . . . . . A 95 LYS CD . 25437 1 1097 . 1 1 95 95 LYS CE C 13 41.783 0.400 . . . . . A 95 LYS CE . 25437 1 1098 . 1 1 95 95 LYS N N 15 118.030 0.400 . . . . . A 95 LYS N . 25437 1 1099 . 1 1 96 96 ALA H H 1 7.668 0.020 . . . . . A 96 ALA H . 25437 1 1100 . 1 1 96 96 ALA HA H 1 4.229 0.020 . . . . . A 96 ALA HA . 25437 1 1101 . 1 1 96 96 ALA HB1 H 1 1.648 0.020 . . . . . A 96 ALA HB1 . 25437 1 1102 . 1 1 96 96 ALA HB2 H 1 1.648 0.020 . . . . . A 96 ALA HB2 . 25437 1 1103 . 1 1 96 96 ALA HB3 H 1 1.648 0.020 . . . . . A 96 ALA HB3 . 25437 1 1104 . 1 1 96 96 ALA CA C 13 55.422 0.400 . . . . . A 96 ALA CA . 25437 1 1105 . 1 1 96 96 ALA CB C 13 17.148 0.400 . . . . . A 96 ALA CB . 25437 1 1106 . 1 1 96 96 ALA N N 15 124.359 0.400 . . . . . A 96 ALA N . 25437 1 1107 . 1 1 97 97 PHE H H 1 8.369 0.020 . . . . . A 97 PHE H . 25437 1 1108 . 1 1 97 97 PHE HA H 1 3.883 0.020 . . . . . A 97 PHE HA . 25437 1 1109 . 1 1 97 97 PHE HB2 H 1 3.548 0.020 . . . . . A 97 PHE HB2 . 25437 1 1110 . 1 1 97 97 PHE HB3 H 1 2.952 0.020 . . . . . A 97 PHE HB3 . 25437 1 1111 . 1 1 97 97 PHE HD1 H 1 6.956 0.020 . . . . . A 97 PHE HD1 . 25437 1 1112 . 1 1 97 97 PHE HD2 H 1 6.956 0.020 . . . . . A 97 PHE HD2 . 25437 1 1113 . 1 1 97 97 PHE HE1 H 1 6.216 0.020 . . . . . A 97 PHE HE1 . 25437 1 1114 . 1 1 97 97 PHE HE2 H 1 6.216 0.020 . . . . . A 97 PHE HE2 . 25437 1 1115 . 1 1 97 97 PHE HZ H 1 6.860 0.020 . . . . . A 97 PHE HZ . 25437 1 1116 . 1 1 97 97 PHE CA C 13 63.187 0.400 . . . . . A 97 PHE CA . 25437 1 1117 . 1 1 97 97 PHE CB C 13 40.401 0.400 . . . . . A 97 PHE CB . 25437 1 1118 . 1 1 97 97 PHE CD1 C 13 131.278 0.400 . . . . . A 97 PHE CD1 . 25437 1 1119 . 1 1 97 97 PHE CD2 C 13 131.278 0.400 . . . . . A 97 PHE CD2 . 25437 1 1120 . 1 1 97 97 PHE CE1 C 13 131.290 0.400 . . . . . A 97 PHE CE1 . 25437 1 1121 . 1 1 97 97 PHE CE2 C 13 131.290 0.400 . . . . . A 97 PHE CE2 . 25437 1 1122 . 1 1 97 97 PHE CZ C 13 128.136 0.400 . . . . . A 97 PHE CZ . 25437 1 1123 . 1 1 97 97 PHE N N 15 117.446 0.400 . . . . . A 97 PHE N . 25437 1 1124 . 1 1 98 98 GLU H H 1 8.821 0.020 . . . . . A 98 GLU H . 25437 1 1125 . 1 1 98 98 GLU HA H 1 4.140 0.020 . . . . . A 98 GLU HA . 25437 1 1126 . 1 1 98 98 GLU HB2 H 1 2.131 0.020 . . . . . A 98 GLU HB2 . 25437 1 1127 . 1 1 98 98 GLU HB3 H 1 2.131 0.020 . . . . . A 98 GLU HB3 . 25437 1 1128 . 1 1 98 98 GLU HG2 H 1 2.267 0.020 . . . . . A 98 GLU HG2 . 25437 1 1129 . 1 1 98 98 GLU HG3 H 1 2.439 0.020 . . . . . A 98 GLU HG3 . 25437 1 1130 . 1 1 98 98 GLU CA C 13 59.610 0.400 . . . . . A 98 GLU CA . 25437 1 1131 . 1 1 98 98 GLU CB C 13 29.444 0.400 . . . . . A 98 GLU CB . 25437 1 1132 . 1 1 98 98 GLU CG C 13 36.027 0.400 . . . . . A 98 GLU CG . 25437 1 1133 . 1 1 98 98 GLU N N 15 119.148 0.400 . . . . . A 98 GLU N . 25437 1 1134 . 1 1 99 99 GLN H H 1 8.436 0.020 . . . . . A 99 GLN H . 25437 1 1135 . 1 1 99 99 GLN HA H 1 4.061 0.020 . . . . . A 99 GLN HA . 25437 1 1136 . 1 1 99 99 GLN HB2 H 1 2.007 0.020 . . . . . A 99 GLN HB2 . 25437 1 1137 . 1 1 99 99 GLN HB3 H 1 2.269 0.020 . . . . . A 99 GLN HB3 . 25437 1 1138 . 1 1 99 99 GLN HG2 H 1 2.356 0.020 . . . . . A 99 GLN HG2 . 25437 1 1139 . 1 1 99 99 GLN HG3 H 1 2.356 0.020 . . . . . A 99 GLN HG3 . 25437 1 1140 . 1 1 99 99 GLN HE21 H 1 6.739 0.020 . . . . . A 99 GLN HE21 . 25437 1 1141 . 1 1 99 99 GLN HE22 H 1 7.595 0.020 . . . . . A 99 GLN HE22 . 25437 1 1142 . 1 1 99 99 GLN CA C 13 59.130 0.400 . . . . . A 99 GLN CA . 25437 1 1143 . 1 1 99 99 GLN CB C 13 27.524 0.400 . . . . . A 99 GLN CB . 25437 1 1144 . 1 1 99 99 GLN CG C 13 33.383 0.400 . . . . . A 99 GLN CG . 25437 1 1145 . 1 1 99 99 GLN N N 15 120.727 0.400 . . . . . A 99 GLN N . 25437 1 1146 . 1 1 99 99 GLN NE2 N 15 110.001 0.400 . . . . . A 99 GLN NE2 . 25437 1 1147 . 1 1 100 100 ALA H H 1 8.433 0.020 . . . . . A 100 ALA H . 25437 1 1148 . 1 1 100 100 ALA HA H 1 3.886 0.020 . . . . . A 100 ALA HA . 25437 1 1149 . 1 1 100 100 ALA HB1 H 1 1.410 0.020 . . . . . A 100 ALA HB1 . 25437 1 1150 . 1 1 100 100 ALA HB2 H 1 1.410 0.020 . . . . . A 100 ALA HB2 . 25437 1 1151 . 1 1 100 100 ALA HB3 H 1 1.410 0.020 . . . . . A 100 ALA HB3 . 25437 1 1152 . 1 1 100 100 ALA CA C 13 55.399 0.400 . . . . . A 100 ALA CA . 25437 1 1153 . 1 1 100 100 ALA CB C 13 19.472 0.400 . . . . . A 100 ALA CB . 25437 1 1154 . 1 1 100 100 ALA N N 15 122.603 0.400 . . . . . A 100 ALA N . 25437 1 1155 . 1 1 101 101 GLY H H 1 9.035 0.020 . . . . . A 101 GLY H . 25437 1 1156 . 1 1 101 101 GLY HA2 H 1 3.952 0.020 . . . . . A 101 GLY HA2 . 25437 1 1157 . 1 1 101 101 GLY HA3 H 1 3.717 0.020 . . . . . A 101 GLY HA3 . 25437 1 1158 . 1 1 101 101 GLY CA C 13 47.843 0.400 . . . . . A 101 GLY CA . 25437 1 1159 . 1 1 101 101 GLY N N 15 104.253 0.400 . . . . . A 101 GLY N . 25437 1 1160 . 1 1 102 102 LYS H H 1 7.928 0.020 . . . . . A 102 LYS H . 25437 1 1161 . 1 1 102 102 LYS HA H 1 4.116 0.020 . . . . . A 102 LYS HA . 25437 1 1162 . 1 1 102 102 LYS HB2 H 1 2.016 0.020 . . . . . A 102 LYS HB2 . 25437 1 1163 . 1 1 102 102 LYS HB3 H 1 2.016 0.020 . . . . . A 102 LYS HB3 . 25437 1 1164 . 1 1 102 102 LYS HG2 H 1 1.479 0.020 . . . . . A 102 LYS HG2 . 25437 1 1165 . 1 1 102 102 LYS HG3 H 1 1.610 0.020 . . . . . A 102 LYS HG3 . 25437 1 1166 . 1 1 102 102 LYS HD2 H 1 1.710 0.020 . . . . . A 102 LYS HD2 . 25437 1 1167 . 1 1 102 102 LYS HD3 H 1 1.710 0.020 . . . . . A 102 LYS HD3 . 25437 1 1168 . 1 1 102 102 LYS HE2 H 1 3.018 0.020 . . . . . A 102 LYS HE2 . 25437 1 1169 . 1 1 102 102 LYS HE3 H 1 3.018 0.020 . . . . . A 102 LYS HE3 . 25437 1 1170 . 1 1 102 102 LYS CA C 13 59.314 0.400 . . . . . A 102 LYS CA . 25437 1 1171 . 1 1 102 102 LYS CB C 13 32.179 0.400 . . . . . A 102 LYS CB . 25437 1 1172 . 1 1 102 102 LYS CG C 13 24.749 0.400 . . . . . A 102 LYS CG . 25437 1 1173 . 1 1 102 102 LYS CD C 13 29.105 0.400 . . . . . A 102 LYS CD . 25437 1 1174 . 1 1 102 102 LYS CE C 13 42.094 0.400 . . . . . A 102 LYS CE . 25437 1 1175 . 1 1 102 102 LYS N N 15 121.912 0.400 . . . . . A 102 LYS N . 25437 1 1176 . 1 1 103 103 GLU H H 1 8.406 0.020 . . . . . A 103 GLU H . 25437 1 1177 . 1 1 103 103 GLU HA H 1 3.989 0.020 . . . . . A 103 GLU HA . 25437 1 1178 . 1 1 103 103 GLU HB2 H 1 2.256 0.020 . . . . . A 103 GLU HB2 . 25437 1 1179 . 1 1 103 103 GLU HB3 H 1 2.256 0.020 . . . . . A 103 GLU HB3 . 25437 1 1180 . 1 1 103 103 GLU HG2 H 1 2.245 0.020 . . . . . A 103 GLU HG2 . 25437 1 1181 . 1 1 103 103 GLU HG3 H 1 2.636 0.020 . . . . . A 103 GLU HG3 . 25437 1 1182 . 1 1 103 103 GLU CA C 13 59.093 0.400 . . . . . A 103 GLU CA . 25437 1 1183 . 1 1 103 103 GLU CB C 13 30.127 0.400 . . . . . A 103 GLU CB . 25437 1 1184 . 1 1 103 103 GLU CG C 13 36.022 0.400 . . . . . A 103 GLU CG . 25437 1 1185 . 1 1 103 103 GLU N N 15 119.382 0.400 . . . . . A 103 GLU N . 25437 1 1186 . 1 1 104 104 LEU H H 1 7.999 0.020 . . . . . A 104 LEU H . 25437 1 1187 . 1 1 104 104 LEU HA H 1 4.360 0.020 . . . . . A 104 LEU HA . 25437 1 1188 . 1 1 104 104 LEU HB2 H 1 1.725 0.020 . . . . . A 104 LEU HB2 . 25437 1 1189 . 1 1 104 104 LEU HB3 H 1 1.636 0.020 . . . . . A 104 LEU HB3 . 25437 1 1190 . 1 1 104 104 LEU HG H 1 1.922 0.020 . . . . . A 104 LEU HG . 25437 1 1191 . 1 1 104 104 LEU HD11 H 1 0.804 0.020 . . . . . A 104 LEU HD11 . 25437 1 1192 . 1 1 104 104 LEU HD12 H 1 0.804 0.020 . . . . . A 104 LEU HD12 . 25437 1 1193 . 1 1 104 104 LEU HD13 H 1 0.804 0.020 . . . . . A 104 LEU HD13 . 25437 1 1194 . 1 1 104 104 LEU HD21 H 1 0.921 0.020 . . . . . A 104 LEU HD21 . 25437 1 1195 . 1 1 104 104 LEU HD22 H 1 0.921 0.020 . . . . . A 104 LEU HD22 . 25437 1 1196 . 1 1 104 104 LEU HD23 H 1 0.921 0.020 . . . . . A 104 LEU HD23 . 25437 1 1197 . 1 1 104 104 LEU CA C 13 55.185 0.400 . . . . . A 104 LEU CA . 25437 1 1198 . 1 1 104 104 LEU CB C 13 43.105 0.400 . . . . . A 104 LEU CB . 25437 1 1199 . 1 1 104 104 LEU CG C 13 27.393 0.400 . . . . . A 104 LEU CG . 25437 1 1200 . 1 1 104 104 LEU CD1 C 13 25.911 0.400 . . . . . A 104 LEU CD1 . 25437 1 1201 . 1 1 104 104 LEU CD2 C 13 22.727 0.400 . . . . . A 104 LEU CD2 . 25437 1 1202 . 1 1 104 104 LEU N N 15 115.551 0.400 . . . . . A 104 LEU N . 25437 1 1203 . 1 1 105 105 GLY H H 1 7.898 0.020 . . . . . A 105 GLY H . 25437 1 1204 . 1 1 105 105 GLY HA2 H 1 3.900 0.020 . . . . . A 105 GLY HA2 . 25437 1 1205 . 1 1 105 105 GLY HA3 H 1 3.997 0.020 . . . . . A 105 GLY HA3 . 25437 1 1206 . 1 1 105 105 GLY CA C 13 46.480 0.400 . . . . . A 105 GLY CA . 25437 1 1207 . 1 1 105 105 GLY N N 15 110.561 0.400 . . . . . A 105 GLY N . 25437 1 1208 . 1 1 106 106 ILE H H 1 8.428 0.020 . . . . . A 106 ILE H . 25437 1 1209 . 1 1 106 106 ILE HA H 1 4.227 0.020 . . . . . A 106 ILE HA . 25437 1 1210 . 1 1 106 106 ILE HB H 1 1.401 0.020 . . . . . A 106 ILE HB . 25437 1 1211 . 1 1 106 106 ILE HG12 H 1 1.037 0.020 . . . . . A 106 ILE HG12 . 25437 1 1212 . 1 1 106 106 ILE HG13 H 1 1.120 0.020 . . . . . A 106 ILE HG13 . 25437 1 1213 . 1 1 106 106 ILE HG21 H 1 0.738 0.020 . . . . . A 106 ILE HG21 . 25437 1 1214 . 1 1 106 106 ILE HG22 H 1 0.738 0.020 . . . . . A 106 ILE HG22 . 25437 1 1215 . 1 1 106 106 ILE HG23 H 1 0.738 0.020 . . . . . A 106 ILE HG23 . 25437 1 1216 . 1 1 106 106 ILE HD11 H 1 0.880 0.020 . . . . . A 106 ILE HD11 . 25437 1 1217 . 1 1 106 106 ILE HD12 H 1 0.880 0.020 . . . . . A 106 ILE HD12 . 25437 1 1218 . 1 1 106 106 ILE HD13 H 1 0.880 0.020 . . . . . A 106 ILE HD13 . 25437 1 1219 . 1 1 106 106 ILE CA C 13 59.717 0.400 . . . . . A 106 ILE CA . 25437 1 1220 . 1 1 106 106 ILE CB C 13 41.096 0.400 . . . . . A 106 ILE CB . 25437 1 1221 . 1 1 106 106 ILE CG1 C 13 26.880 0.400 . . . . . A 106 ILE CG1 . 25437 1 1222 . 1 1 106 106 ILE CG2 C 13 17.495 0.400 . . . . . A 106 ILE CG2 . 25437 1 1223 . 1 1 106 106 ILE CD1 C 13 13.350 0.400 . . . . . A 106 ILE CD1 . 25437 1 1224 . 1 1 106 106 ILE N N 15 121.745 0.400 . . . . . A 106 ILE N . 25437 1 1225 . 1 1 107 107 LYS H H 1 8.489 0.020 . . . . . A 107 LYS H . 25437 1 1226 . 1 1 107 107 LYS HA H 1 4.275 0.020 . . . . . A 107 LYS HA . 25437 1 1227 . 1 1 107 107 LYS HB2 H 1 1.717 0.020 . . . . . A 107 LYS HB2 . 25437 1 1228 . 1 1 107 107 LYS HB3 H 1 1.799 0.020 . . . . . A 107 LYS HB3 . 25437 1 1229 . 1 1 107 107 LYS HG2 H 1 1.404 0.020 . . . . . A 107 LYS HG2 . 25437 1 1230 . 1 1 107 107 LYS HG3 H 1 1.404 0.020 . . . . . A 107 LYS HG3 . 25437 1 1231 . 1 1 107 107 LYS HD2 H 1 1.622 0.020 . . . . . A 107 LYS HD2 . 25437 1 1232 . 1 1 107 107 LYS HD3 H 1 1.622 0.020 . . . . . A 107 LYS HD3 . 25437 1 1233 . 1 1 107 107 LYS HE2 H 1 2.947 0.020 . . . . . A 107 LYS HE2 . 25437 1 1234 . 1 1 107 107 LYS HE3 H 1 2.947 0.020 . . . . . A 107 LYS HE3 . 25437 1 1235 . 1 1 107 107 LYS CA C 13 57.224 0.400 . . . . . A 107 LYS CA . 25437 1 1236 . 1 1 107 107 LYS CB C 13 32.752 0.400 . . . . . A 107 LYS CB . 25437 1 1237 . 1 1 107 107 LYS CG C 13 24.982 0.400 . . . . . A 107 LYS CG . 25437 1 1238 . 1 1 107 107 LYS CD C 13 28.949 0.400 . . . . . A 107 LYS CD . 25437 1 1239 . 1 1 107 107 LYS CE C 13 41.972 0.400 . . . . . A 107 LYS CE . 25437 1 1240 . 1 1 107 107 LYS N N 15 127.736 0.400 . . . . . A 107 LYS N . 25437 1 1241 . 1 1 108 108 LEU H H 1 8.049 0.020 . . . . . A 108 LEU H . 25437 1 1242 . 1 1 108 108 LEU HA H 1 5.235 0.020 . . . . . A 108 LEU HA . 25437 1 1243 . 1 1 108 108 LEU HB2 H 1 0.759 0.020 . . . . . A 108 LEU HB2 . 25437 1 1244 . 1 1 108 108 LEU HB3 H 1 1.450 0.020 . . . . . A 108 LEU HB3 . 25437 1 1245 . 1 1 108 108 LEU HG H 1 0.934 0.020 . . . . . A 108 LEU HG . 25437 1 1246 . 1 1 108 108 LEU HD11 H 1 1.716 0.020 . . . . . A 108 LEU HD11 . 25437 1 1247 . 1 1 108 108 LEU HD12 H 1 1.716 0.020 . . . . . A 108 LEU HD12 . 25437 1 1248 . 1 1 108 108 LEU HD13 H 1 1.716 0.020 . . . . . A 108 LEU HD13 . 25437 1 1249 . 1 1 108 108 LEU HD21 H 1 0.652 0.020 . . . . . A 108 LEU HD21 . 25437 1 1250 . 1 1 108 108 LEU HD22 H 1 0.652 0.020 . . . . . A 108 LEU HD22 . 25437 1 1251 . 1 1 108 108 LEU HD23 H 1 0.652 0.020 . . . . . A 108 LEU HD23 . 25437 1 1252 . 1 1 108 108 LEU CA C 13 53.287 0.400 . . . . . A 108 LEU CA . 25437 1 1253 . 1 1 108 108 LEU CB C 13 47.016 0.400 . . . . . A 108 LEU CB . 25437 1 1254 . 1 1 108 108 LEU CG C 13 27.466 0.400 . . . . . A 108 LEU CG . 25437 1 1255 . 1 1 108 108 LEU CD1 C 13 26.071 0.400 . . . . . A 108 LEU CD1 . 25437 1 1256 . 1 1 108 108 LEU CD2 C 13 23.539 0.400 . . . . . A 108 LEU CD2 . 25437 1 1257 . 1 1 108 108 LEU N N 15 122.881 0.400 . . . . . A 108 LEU N . 25437 1 1258 . 1 1 109 109 ARG H H 1 8.736 0.020 . . . . . A 109 ARG H . 25437 1 1259 . 1 1 109 109 ARG HA H 1 4.438 0.020 . . . . . A 109 ARG HA . 25437 1 1260 . 1 1 109 109 ARG HB2 H 1 1.620 0.020 . . . . . A 109 ARG HB2 . 25437 1 1261 . 1 1 109 109 ARG HB3 H 1 1.583 0.020 . . . . . A 109 ARG HB3 . 25437 1 1262 . 1 1 109 109 ARG HG2 H 1 1.468 0.020 . . . . . A 109 ARG HG2 . 25437 1 1263 . 1 1 109 109 ARG HG3 H 1 1.468 0.020 . . . . . A 109 ARG HG3 . 25437 1 1264 . 1 1 109 109 ARG HD2 H 1 3.037 0.020 . . . . . A 109 ARG HD2 . 25437 1 1265 . 1 1 109 109 ARG HD3 H 1 3.037 0.020 . . . . . A 109 ARG HD3 . 25437 1 1266 . 1 1 109 109 ARG CA C 13 55.193 0.400 . . . . . A 109 ARG CA . 25437 1 1267 . 1 1 109 109 ARG CB C 13 33.519 0.400 . . . . . A 109 ARG CB . 25437 1 1268 . 1 1 109 109 ARG CG C 13 27.438 0.400 . . . . . A 109 ARG CG . 25437 1 1269 . 1 1 109 109 ARG CD C 13 43.509 0.400 . . . . . A 109 ARG CD . 25437 1 1270 . 1 1 109 109 ARG N N 15 120.726 0.400 . . . . . A 109 ARG N . 25437 1 1271 . 1 1 110 110 PHE H H 1 8.707 0.020 . . . . . A 110 PHE H . 25437 1 1272 . 1 1 110 110 PHE HA H 1 5.303 0.020 . . . . . A 110 PHE HA . 25437 1 1273 . 1 1 110 110 PHE HB2 H 1 3.494 0.020 . . . . . A 110 PHE HB2 . 25437 1 1274 . 1 1 110 110 PHE HB3 H 1 2.814 0.020 . . . . . A 110 PHE HB3 . 25437 1 1275 . 1 1 110 110 PHE HD1 H 1 7.436 0.020 . . . . . A 110 PHE HD1 . 25437 1 1276 . 1 1 110 110 PHE HD2 H 1 7.436 0.020 . . . . . A 110 PHE HD2 . 25437 1 1277 . 1 1 110 110 PHE HE1 H 1 7.204 0.020 . . . . . A 110 PHE HE1 . 25437 1 1278 . 1 1 110 110 PHE HE2 H 1 7.204 0.020 . . . . . A 110 PHE HE2 . 25437 1 1279 . 1 1 110 110 PHE HZ H 1 7.039 0.020 . . . . . A 110 PHE HZ . 25437 1 1280 . 1 1 110 110 PHE CA C 13 56.644 0.400 . . . . . A 110 PHE CA . 25437 1 1281 . 1 1 110 110 PHE CB C 13 40.602 0.400 . . . . . A 110 PHE CB . 25437 1 1282 . 1 1 110 110 PHE CD1 C 13 132.448 0.400 . . . . . A 110 PHE CD1 . 25437 1 1283 . 1 1 110 110 PHE CD2 C 13 132.447 0.400 . . . . . A 110 PHE CD2 . 25437 1 1284 . 1 1 110 110 PHE CE1 C 13 131.308 0.400 . . . . . A 110 PHE CE1 . 25437 1 1285 . 1 1 110 110 PHE CE2 C 13 131.308 0.400 . . . . . A 110 PHE CE2 . 25437 1 1286 . 1 1 110 110 PHE CZ C 13 129.415 0.400 . . . . . A 110 PHE CZ . 25437 1 1287 . 1 1 110 110 PHE N N 15 121.516 0.400 . . . . . A 110 PHE N . 25437 1 1288 . 1 1 111 111 GLY H H 1 7.819 0.020 . . . . . A 111 GLY H . 25437 1 1289 . 1 1 111 111 GLY HA2 H 1 3.794 0.020 . . . . . A 111 GLY HA2 . 25437 1 1290 . 1 1 111 111 GLY HA3 H 1 3.919 0.020 . . . . . A 111 GLY HA3 . 25437 1 1291 . 1 1 111 111 GLY CA C 13 45.604 0.400 . . . . . A 111 GLY CA . 25437 1 1292 . 1 1 111 111 GLY N N 15 108.992 0.400 . . . . . A 111 GLY N . 25437 1 1293 . 1 1 112 112 ALA H H 1 7.945 0.020 . . . . . A 112 ALA H . 25437 1 1294 . 1 1 112 112 ALA HA H 1 3.858 0.020 . . . . . A 112 ALA HA . 25437 1 1295 . 1 1 112 112 ALA HB1 H 1 1.585 0.020 . . . . . A 112 ALA HB1 . 25437 1 1296 . 1 1 112 112 ALA HB2 H 1 1.585 0.020 . . . . . A 112 ALA HB2 . 25437 1 1297 . 1 1 112 112 ALA HB3 H 1 1.585 0.020 . . . . . A 112 ALA HB3 . 25437 1 1298 . 1 1 112 112 ALA CA C 13 52.083 0.400 . . . . . A 112 ALA CA . 25437 1 1299 . 1 1 112 112 ALA CB C 13 18.655 0.400 . . . . . A 112 ALA CB . 25437 1 1300 . 1 1 112 112 ALA N N 15 111.448 0.400 . . . . . A 112 ALA N . 25437 1 1301 . 1 1 113 113 ASP H H 1 7.000 0.020 . . . . . A 113 ASP H . 25437 1 1302 . 1 1 113 113 ASP HA H 1 5.157 0.020 . . . . . A 113 ASP HA . 25437 1 1303 . 1 1 113 113 ASP HB2 H 1 2.592 0.020 . . . . . A 113 ASP HB2 . 25437 1 1304 . 1 1 113 113 ASP HB3 H 1 2.948 0.020 . . . . . A 113 ASP HB3 . 25437 1 1305 . 1 1 113 113 ASP CA C 13 52.285 0.400 . . . . . A 113 ASP CA . 25437 1 1306 . 1 1 113 113 ASP CB C 13 41.465 0.400 . . . . . A 113 ASP CB . 25437 1 1307 . 1 1 114 114 TRP H H 1 7.589 0.020 . . . . . A 114 TRP H . 25437 1 1308 . 1 1 114 114 TRP HA H 1 4.184 0.020 . . . . . A 114 TRP HA . 25437 1 1309 . 1 1 114 114 TRP HB2 H 1 1.434 0.020 . . . . . A 114 TRP HB2 . 25437 1 1310 . 1 1 114 114 TRP HB3 H 1 1.119 0.020 . . . . . A 114 TRP HB3 . 25437 1 1311 . 1 1 114 114 TRP HD1 H 1 7.305 0.020 . . . . . A 114 TRP HD1 . 25437 1 1312 . 1 1 114 114 TRP HE1 H 1 10.487 0.020 . . . . . A 114 TRP HE1 . 25437 1 1313 . 1 1 114 114 TRP HE3 H 1 7.102 0.020 . . . . . A 114 TRP HE3 . 25437 1 1314 . 1 1 114 114 TRP HZ2 H 1 7.505 0.020 . . . . . A 114 TRP HZ2 . 25437 1 1315 . 1 1 114 114 TRP HZ3 H 1 7.624 0.020 . . . . . A 114 TRP HZ3 . 25437 1 1316 . 1 1 114 114 TRP HH2 H 1 7.244 0.020 . . . . . A 114 TRP HH2 . 25437 1 1317 . 1 1 114 114 TRP CA C 13 61.455 0.400 . . . . . A 114 TRP CA . 25437 1 1318 . 1 1 114 114 TRP CB C 13 26.427 0.400 . . . . . A 114 TRP CB . 25437 1 1319 . 1 1 114 114 TRP CD1 C 13 126.956 0.400 . . . . . A 114 TRP CD1 . 25437 1 1320 . 1 1 114 114 TRP CE3 C 13 121.682 0.400 . . . . . A 114 TRP CE3 . 25437 1 1321 . 1 1 114 114 TRP CZ2 C 13 114.660 0.400 . . . . . A 114 TRP CZ2 . 25437 1 1322 . 1 1 114 114 TRP CZ3 C 13 120.780 0.400 . . . . . A 114 TRP CZ3 . 25437 1 1323 . 1 1 114 114 TRP CH2 C 13 124.552 0.400 . . . . . A 114 TRP CH2 . 25437 1 1324 . 1 1 114 114 TRP N N 15 119.829 0.400 . . . . . A 114 TRP N . 25437 1 1325 . 1 1 114 114 TRP NE1 N 15 129.593 0.400 . . . . . A 114 TRP NE1 . 25437 1 1326 . 1 1 115 115 ASN H H 1 9.503 0.020 . . . . . A 115 ASN H . 25437 1 1327 . 1 1 115 115 ASN HA H 1 4.548 0.020 . . . . . A 115 ASN HA . 25437 1 1328 . 1 1 115 115 ASN HB2 H 1 2.926 0.020 . . . . . A 115 ASN HB2 . 25437 1 1329 . 1 1 115 115 ASN HB3 H 1 2.926 0.020 . . . . . A 115 ASN HB3 . 25437 1 1330 . 1 1 115 115 ASN CA C 13 55.955 0.400 . . . . . A 115 ASN CA . 25437 1 1331 . 1 1 115 115 ASN CB C 13 36.818 0.400 . . . . . A 115 ASN CB . 25437 1 1332 . 1 1 115 115 ASN N N 15 117.900 0.400 . . . . . A 115 ASN N . 25437 1 1333 . 1 1 116 116 ALA H H 1 8.079 0.020 . . . . . A 116 ALA H . 25437 1 1334 . 1 1 116 116 ALA HA H 1 4.181 0.020 . . . . . A 116 ALA HA . 25437 1 1335 . 1 1 116 116 ALA HB1 H 1 1.554 0.020 . . . . . A 116 ALA HB1 . 25437 1 1336 . 1 1 116 116 ALA HB2 H 1 1.554 0.020 . . . . . A 116 ALA HB2 . 25437 1 1337 . 1 1 116 116 ALA HB3 H 1 1.554 0.020 . . . . . A 116 ALA HB3 . 25437 1 1338 . 1 1 116 116 ALA CA C 13 53.111 0.400 . . . . . A 116 ALA CA . 25437 1 1339 . 1 1 116 116 ALA CB C 13 16.596 0.400 . . . . . A 116 ALA CB . 25437 1 1340 . 1 1 116 116 ALA N N 15 123.758 0.400 . . . . . A 116 ALA N . 25437 1 1341 . 1 1 117 117 SER H H 1 9.460 0.020 . . . . . A 117 SER H . 25437 1 1342 . 1 1 117 117 SER HA H 1 4.417 0.020 . . . . . A 117 SER HA . 25437 1 1343 . 1 1 117 117 SER HB2 H 1 3.845 0.020 . . . . . A 117 SER HB2 . 25437 1 1344 . 1 1 117 117 SER HB3 H 1 3.845 0.020 . . . . . A 117 SER HB3 . 25437 1 1345 . 1 1 117 117 SER CA C 13 59.433 0.400 . . . . . A 117 SER CA . 25437 1 1346 . 1 1 117 117 SER CB C 13 65.026 0.400 . . . . . A 117 SER CB . 25437 1 1347 . 1 1 117 117 SER N N 15 116.009 0.400 . . . . . A 117 SER N . 25437 1 1348 . 1 1 118 118 GLY H H 1 10.733 0.020 . . . . . A 118 GLY H . 25437 1 1349 . 1 1 118 118 GLY HA2 H 1 3.934 0.020 . . . . . A 118 GLY HA2 . 25437 1 1350 . 1 1 118 118 GLY HA3 H 1 4.015 0.020 . . . . . A 118 GLY HA3 . 25437 1 1351 . 1 1 118 118 GLY CA C 13 45.197 0.400 . . . . . A 118 GLY CA . 25437 1 1352 . 1 1 118 118 GLY N N 15 115.031 0.400 . . . . . A 118 GLY N . 25437 1 1353 . 1 1 119 119 ASP H H 1 7.770 0.020 . . . . . A 119 ASP H . 25437 1 1354 . 1 1 119 119 ASP HA H 1 4.590 0.020 . . . . . A 119 ASP HA . 25437 1 1355 . 1 1 119 119 ASP HB2 H 1 2.769 0.020 . . . . . A 119 ASP HB2 . 25437 1 1356 . 1 1 119 119 ASP HB3 H 1 2.618 0.020 . . . . . A 119 ASP HB3 . 25437 1 1357 . 1 1 119 119 ASP CA C 13 53.181 0.400 . . . . . A 119 ASP CA . 25437 1 1358 . 1 1 119 119 ASP CB C 13 43.864 0.400 . . . . . A 119 ASP CB . 25437 1 1359 . 1 1 119 119 ASP N N 15 116.435 0.400 . . . . . A 119 ASP N . 25437 1 1360 . 1 1 120 120 TYR H H 1 6.801 0.020 . . . . . A 120 TYR H . 25437 1 1361 . 1 1 120 120 TYR HA H 1 6.088 0.020 . . . . . A 120 TYR HA . 25437 1 1362 . 1 1 120 120 TYR HB2 H 1 3.632 0.020 . . . . . A 120 TYR HB2 . 25437 1 1363 . 1 1 120 120 TYR HB3 H 1 2.922 0.020 . . . . . A 120 TYR HB3 . 25437 1 1364 . 1 1 120 120 TYR HD1 H 1 6.610 0.020 . . . . . A 120 TYR HD1 . 25437 1 1365 . 1 1 120 120 TYR HD2 H 1 6.610 0.020 . . . . . A 120 TYR HD2 . 25437 1 1366 . 1 1 120 120 TYR HE1 H 1 6.620 0.020 . . . . . A 120 TYR HE1 . 25437 1 1367 . 1 1 120 120 TYR HE2 H 1 6.620 0.020 . . . . . A 120 TYR HE2 . 25437 1 1368 . 1 1 120 120 TYR CA C 13 56.003 0.400 . . . . . A 120 TYR CA . 25437 1 1369 . 1 1 120 120 TYR CB C 13 40.371 0.400 . . . . . A 120 TYR CB . 25437 1 1370 . 1 1 120 120 TYR CD1 C 13 132.611 0.400 . . . . . A 120 TYR CD1 . 25437 1 1371 . 1 1 120 120 TYR CD2 C 13 132.876 0.400 . . . . . A 120 TYR CD2 . 25437 1 1372 . 1 1 120 120 TYR CE1 C 13 117.642 0.400 . . . . . A 120 TYR CE1 . 25437 1 1373 . 1 1 120 120 TYR CE2 C 13 117.642 0.400 . . . . . A 120 TYR CE2 . 25437 1 1374 . 1 1 120 120 TYR N N 15 120.253 0.400 . . . . . A 120 TYR N . 25437 1 1375 . 1 1 121 121 HIS HA H 1 4.537 0.020 . . . . . A 121 HIS HA . 25437 1 1376 . 1 1 121 121 HIS HB2 H 1 3.214 0.020 . . . . . A 121 HIS HB2 . 25437 1 1377 . 1 1 121 121 HIS HB3 H 1 3.214 0.020 . . . . . A 121 HIS HB3 . 25437 1 1378 . 1 1 121 121 HIS HD2 H 1 7.193 0.020 . . . . . A 121 HIS HD2 . 25437 1 1379 . 1 1 121 121 HIS HE1 H 1 8.476 0.020 . . . . . A 121 HIS HE1 . 25437 1 1380 . 1 1 121 121 HIS CA C 13 59.002 0.400 . . . . . A 121 HIS CA . 25437 1 1381 . 1 1 121 121 HIS CB C 13 27.950 0.400 . . . . . A 121 HIS CB . 25437 1 1382 . 1 1 121 121 HIS CD2 C 13 119.885 0.400 . . . . . A 121 HIS CD2 . 25437 1 1383 . 1 1 121 121 HIS CE1 C 13 136.160 0.400 . . . . . A 121 HIS CE1 . 25437 1 1384 . 1 1 122 122 ASP H H 1 8.154 0.020 . . . . . A 122 ASP H . 25437 1 1385 . 1 1 122 122 ASP HA H 1 4.815 0.020 . . . . . A 122 ASP HA . 25437 1 1386 . 1 1 122 122 ASP HB2 H 1 2.935 0.020 . . . . . A 122 ASP HB2 . 25437 1 1387 . 1 1 122 122 ASP HB3 H 1 2.763 0.020 . . . . . A 122 ASP HB3 . 25437 1 1388 . 1 1 122 122 ASP CA C 13 51.612 0.400 . . . . . A 122 ASP CA . 25437 1 1389 . 1 1 122 122 ASP CB C 13 36.980 0.400 . . . . . A 122 ASP CB . 25437 1 1390 . 1 1 122 122 ASP N N 15 111.622 0.400 . . . . . A 122 ASP N . 25437 1 1391 . 1 1 124 124 ILE H H 1 7.639 0.020 . . . . . A 124 ILE H . 25437 1 1392 . 1 1 124 124 ILE HA H 1 3.843 0.020 . . . . . A 124 ILE HA . 25437 1 1393 . 1 1 124 124 ILE HB H 1 2.015 0.020 . . . . . A 124 ILE HB . 25437 1 1394 . 1 1 124 124 ILE HG12 H 1 1.457 0.020 . . . . . A 124 ILE HG12 . 25437 1 1395 . 1 1 124 124 ILE HG13 H 1 0.739 0.020 . . . . . A 124 ILE HG13 . 25437 1 1396 . 1 1 124 124 ILE HG21 H 1 0.866 0.020 . . . . . A 124 ILE HG21 . 25437 1 1397 . 1 1 124 124 ILE HG22 H 1 0.866 0.020 . . . . . A 124 ILE HG22 . 25437 1 1398 . 1 1 124 124 ILE HG23 H 1 0.866 0.020 . . . . . A 124 ILE HG23 . 25437 1 1399 . 1 1 124 124 ILE HD11 H 1 0.388 0.020 . . . . . A 124 ILE HD11 . 25437 1 1400 . 1 1 124 124 ILE HD12 H 1 0.388 0.020 . . . . . A 124 ILE HD12 . 25437 1 1401 . 1 1 124 124 ILE HD13 H 1 0.388 0.020 . . . . . A 124 ILE HD13 . 25437 1 1402 . 1 1 124 124 ILE CA C 13 64.714 0.400 . . . . . A 124 ILE CA . 25437 1 1403 . 1 1 124 124 ILE CB C 13 36.859 0.400 . . . . . A 124 ILE CB . 25437 1 1404 . 1 1 124 124 ILE CG1 C 13 28.392 0.400 . . . . . A 124 ILE CG1 . 25437 1 1405 . 1 1 124 124 ILE CG2 C 13 16.172 0.400 . . . . . A 124 ILE CG2 . 25437 1 1406 . 1 1 124 124 ILE CD1 C 13 12.723 0.400 . . . . . A 124 ILE CD1 . 25437 1 1407 . 1 1 124 124 ILE N N 15 119.763 0.400 . . . . . A 124 ILE N . 25437 1 1408 . 1 1 125 125 LYS H H 1 7.739 0.020 . . . . . A 125 LYS H . 25437 1 1409 . 1 1 125 125 LYS HA H 1 4.109 0.020 . . . . . A 125 LYS HA . 25437 1 1410 . 1 1 125 125 LYS HB2 H 1 2.015 0.020 . . . . . A 125 LYS HB2 . 25437 1 1411 . 1 1 125 125 LYS HB3 H 1 2.015 0.020 . . . . . A 125 LYS HB3 . 25437 1 1412 . 1 1 125 125 LYS HG2 H 1 1.616 0.020 . . . . . A 125 LYS HG2 . 25437 1 1413 . 1 1 125 125 LYS HG3 H 1 1.402 0.020 . . . . . A 125 LYS HG3 . 25437 1 1414 . 1 1 125 125 LYS HD2 H 1 1.731 0.020 . . . . . A 125 LYS HD2 . 25437 1 1415 . 1 1 125 125 LYS HD3 H 1 1.731 0.020 . . . . . A 125 LYS HD3 . 25437 1 1416 . 1 1 125 125 LYS HE2 H 1 2.982 0.020 . . . . . A 125 LYS HE2 . 25437 1 1417 . 1 1 125 125 LYS HE3 H 1 2.982 0.020 . . . . . A 125 LYS HE3 . 25437 1 1418 . 1 1 125 125 LYS CA C 13 59.241 0.400 . . . . . A 125 LYS CA . 25437 1 1419 . 1 1 125 125 LYS CB C 13 31.985 0.400 . . . . . A 125 LYS CB . 25437 1 1420 . 1 1 125 125 LYS CG C 13 25.077 0.400 . . . . . A 125 LYS CG . 25437 1 1421 . 1 1 125 125 LYS CD C 13 28.959 0.400 . . . . . A 125 LYS CD . 25437 1 1422 . 1 1 125 125 LYS CE C 13 42.009 0.400 . . . . . A 125 LYS CE . 25437 1 1423 . 1 1 125 125 LYS N N 15 121.010 0.400 . . . . . A 125 LYS N . 25437 1 1424 . 1 1 126 126 ARG H H 1 7.904 0.020 . . . . . A 126 ARG H . 25437 1 1425 . 1 1 126 126 ARG HA H 1 4.338 0.020 . . . . . A 126 ARG HA . 25437 1 1426 . 1 1 126 126 ARG HB2 H 1 1.976 0.020 . . . . . A 126 ARG HB2 . 25437 1 1427 . 1 1 126 126 ARG HB3 H 1 1.795 0.020 . . . . . A 126 ARG HB3 . 25437 1 1428 . 1 1 126 126 ARG HG2 H 1 1.702 0.020 . . . . . A 126 ARG HG2 . 25437 1 1429 . 1 1 126 126 ARG HG3 H 1 1.962 0.020 . . . . . A 126 ARG HG3 . 25437 1 1430 . 1 1 126 126 ARG HD2 H 1 3.208 0.020 . . . . . A 126 ARG HD2 . 25437 1 1431 . 1 1 126 126 ARG HD3 H 1 3.208 0.020 . . . . . A 126 ARG HD3 . 25437 1 1432 . 1 1 126 126 ARG CA C 13 57.189 0.400 . . . . . A 126 ARG CA . 25437 1 1433 . 1 1 126 126 ARG CB C 13 31.015 0.400 . . . . . A 126 ARG CB . 25437 1 1434 . 1 1 126 126 ARG CG C 13 27.633 0.400 . . . . . A 126 ARG CG . 25437 1 1435 . 1 1 126 126 ARG CD C 13 43.447 0.400 . . . . . A 126 ARG CD . 25437 1 1436 . 1 1 126 126 ARG N N 15 115.276 0.400 . . . . . A 126 ARG N . 25437 1 1437 . 1 1 127 127 GLY H H 1 7.912 0.020 . . . . . A 127 GLY H . 25437 1 1438 . 1 1 127 127 GLY CA C 13 45.822 0.400 . . . . . A 127 GLY CA . 25437 1 1439 . 1 1 127 127 GLY N N 15 107.767 0.400 . . . . . A 127 GLY N . 25437 1 1440 . 1 1 128 128 THR H H 1 8.121 0.020 . . . . . A 128 THR H . 25437 1 1441 . 1 1 128 128 THR HA H 1 4.252 0.020 . . . . . A 128 THR HA . 25437 1 1442 . 1 1 128 128 THR HB H 1 4.449 0.020 . . . . . A 128 THR HB . 25437 1 1443 . 1 1 128 128 THR HG21 H 1 0.985 0.020 . . . . . A 128 THR HG21 . 25437 1 1444 . 1 1 128 128 THR HG22 H 1 0.985 0.020 . . . . . A 128 THR HG22 . 25437 1 1445 . 1 1 128 128 THR HG23 H 1 0.985 0.020 . . . . . A 128 THR HG23 . 25437 1 1446 . 1 1 128 128 THR CA C 13 60.620 0.400 . . . . . A 128 THR CA . 25437 1 1447 . 1 1 128 128 THR CB C 13 69.224 0.400 . . . . . A 128 THR CB . 25437 1 1448 . 1 1 128 128 THR CG2 C 13 21.879 0.400 . . . . . A 128 THR CG2 . 25437 1 1449 . 1 1 128 128 THR N N 15 107.570 0.400 . . . . . A 128 THR N . 25437 1 1450 . 1 1 129 129 TYR H H 1 7.209 0.020 . . . . . A 129 TYR H . 25437 1 1451 . 1 1 129 129 TYR HA H 1 4.173 0.020 . . . . . A 129 TYR HA . 25437 1 1452 . 1 1 129 129 TYR HB2 H 1 1.870 0.020 . . . . . A 129 TYR HB2 . 25437 1 1453 . 1 1 129 129 TYR HB3 H 1 1.870 0.020 . . . . . A 129 TYR HB3 . 25437 1 1454 . 1 1 129 129 TYR HD1 H 1 6.841 0.020 . . . . . A 129 TYR HD1 . 25437 1 1455 . 1 1 129 129 TYR HD2 H 1 6.841 0.020 . . . . . A 129 TYR HD2 . 25437 1 1456 . 1 1 129 129 TYR HE1 H 1 6.450 0.020 . . . . . A 129 TYR HE1 . 25437 1 1457 . 1 1 129 129 TYR HE2 H 1 6.450 0.020 . . . . . A 129 TYR HE2 . 25437 1 1458 . 1 1 129 129 TYR CA C 13 61.448 0.400 . . . . . A 129 TYR CA . 25437 1 1459 . 1 1 129 129 TYR CB C 13 38.796 0.400 . . . . . A 129 TYR CB . 25437 1 1460 . 1 1 129 129 TYR CD1 C 13 133.173 0.400 . . . . . A 129 TYR CD1 . 25437 1 1461 . 1 1 129 129 TYR CD2 C 13 133.173 0.400 . . . . . A 129 TYR CD2 . 25437 1 1462 . 1 1 129 129 TYR CE1 C 13 118.069 0.400 . . . . . A 129 TYR CE1 . 25437 1 1463 . 1 1 129 129 TYR CE2 C 13 118.069 0.400 . . . . . A 129 TYR CE2 . 25437 1 1464 . 1 1 129 129 TYR N N 15 123.143 0.400 . . . . . A 129 TYR N . 25437 1 1465 . 1 1 130 130 ASP H H 1 8.216 0.020 . . . . . A 130 ASP H . 25437 1 1466 . 1 1 130 130 ASP HA H 1 4.641 0.020 . . . . . A 130 ASP HA . 25437 1 1467 . 1 1 130 130 ASP HB2 H 1 2.785 0.020 . . . . . A 130 ASP HB2 . 25437 1 1468 . 1 1 130 130 ASP HB3 H 1 2.785 0.020 . . . . . A 130 ASP HB3 . 25437 1 1469 . 1 1 130 130 ASP CA C 13 53.440 0.400 . . . . . A 130 ASP CA . 25437 1 1470 . 1 1 130 130 ASP CB C 13 43.221 0.400 . . . . . A 130 ASP CB . 25437 1 1471 . 1 1 130 130 ASP N N 15 117.930 0.400 . . . . . A 130 ASP N . 25437 1 1472 . 1 1 132 132 GLY H H 1 8.304 0.020 . . . . . A 132 GLY H . 25437 1 1473 . 1 1 132 132 GLY HA2 H 1 3.241 0.020 . . . . . A 132 GLY HA2 . 25437 1 1474 . 1 1 132 132 GLY HA3 H 1 3.538 0.020 . . . . . A 132 GLY HA3 . 25437 1 1475 . 1 1 132 132 GLY CA C 13 44.013 0.400 . . . . . A 132 GLY CA . 25437 1 1476 . 1 1 132 132 GLY N N 15 107.481 0.400 . . . . . A 132 GLY N . 25437 1 1477 . 1 1 133 133 HIS H H 1 6.942 0.020 . . . . . A 133 HIS H . 25437 1 1478 . 1 1 133 133 HIS HA H 1 5.430 0.020 . . . . . A 133 HIS HA . 25437 1 1479 . 1 1 133 133 HIS HB2 H 1 2.937 0.020 . . . . . A 133 HIS HB2 . 25437 1 1480 . 1 1 133 133 HIS HB3 H 1 2.817 0.020 . . . . . A 133 HIS HB3 . 25437 1 1481 . 1 1 133 133 HIS HD2 H 1 6.510 0.020 . . . . . A 133 HIS HD2 . 25437 1 1482 . 1 1 133 133 HIS HE1 H 1 6.181 0.020 . . . . . A 133 HIS HE1 . 25437 1 1483 . 1 1 133 133 HIS CA C 13 57.155 0.400 . . . . . A 133 HIS CA . 25437 1 1484 . 1 1 133 133 HIS CB C 13 31.667 0.400 . . . . . A 133 HIS CB . 25437 1 1485 . 1 1 133 133 HIS CD2 C 13 117.989 0.400 . . . . . A 133 HIS CD2 . 25437 1 1486 . 1 1 133 133 HIS CE1 C 13 136.066 0.400 . . . . . A 133 HIS CE1 . 25437 1 1487 . 1 1 133 133 HIS N N 15 117.609 0.400 . . . . . A 133 HIS N . 25437 1 1488 . 1 1 134 134 VAL H H 1 9.127 0.020 . . . . . A 134 VAL H . 25437 1 1489 . 1 1 134 134 VAL HA H 1 4.254 0.020 . . . . . A 134 VAL HA . 25437 1 1490 . 1 1 134 134 VAL HB H 1 1.581 0.020 . . . . . A 134 VAL HB . 25437 1 1491 . 1 1 134 134 VAL HG11 H 1 0.368 0.020 . . . . . A 134 VAL HG11 . 25437 1 1492 . 1 1 134 134 VAL HG12 H 1 0.368 0.020 . . . . . A 134 VAL HG12 . 25437 1 1493 . 1 1 134 134 VAL HG13 H 1 0.368 0.020 . . . . . A 134 VAL HG13 . 25437 1 1494 . 1 1 134 134 VAL HG21 H 1 0.427 0.020 . . . . . A 134 VAL HG21 . 25437 1 1495 . 1 1 134 134 VAL HG22 H 1 0.427 0.020 . . . . . A 134 VAL HG22 . 25437 1 1496 . 1 1 134 134 VAL HG23 H 1 0.427 0.020 . . . . . A 134 VAL HG23 . 25437 1 1497 . 1 1 134 134 VAL CA C 13 61.676 0.400 . . . . . A 134 VAL CA . 25437 1 1498 . 1 1 134 134 VAL CB C 13 34.775 0.400 . . . . . A 134 VAL CB . 25437 1 1499 . 1 1 134 134 VAL CG1 C 13 20.573 0.400 . . . . . A 134 VAL CG1 . 25437 1 1500 . 1 1 134 134 VAL CG2 C 13 20.573 0.400 . . . . . A 134 VAL CG2 . 25437 1 1501 . 1 1 134 134 VAL N N 15 133.201 0.400 . . . . . A 134 VAL N . 25437 1 1502 . 1 1 135 135 GLU H H 1 8.501 0.020 . . . . . A 135 GLU H . 25437 1 1503 . 1 1 135 135 GLU HA H 1 5.458 0.020 . . . . . A 135 GLU HA . 25437 1 1504 . 1 1 135 135 GLU HB2 H 1 1.878 0.020 . . . . . A 135 GLU HB2 . 25437 1 1505 . 1 1 135 135 GLU HB3 H 1 1.624 0.020 . . . . . A 135 GLU HB3 . 25437 1 1506 . 1 1 135 135 GLU HG2 H 1 2.211 0.020 . . . . . A 135 GLU HG2 . 25437 1 1507 . 1 1 135 135 GLU HG3 H 1 1.868 0.020 . . . . . A 135 GLU HG3 . 25437 1 1508 . 1 1 135 135 GLU CA C 13 52.126 0.400 . . . . . A 135 GLU CA . 25437 1 1509 . 1 1 135 135 GLU CB C 13 34.550 0.400 . . . . . A 135 GLU CB . 25437 1 1510 . 1 1 135 135 GLU CG C 13 36.118 0.400 . . . . . A 135 GLU CG . 25437 1 1511 . 1 1 135 135 GLU N N 15 119.904 0.400 . . . . . A 135 GLU N . 25437 1 1512 . 1 1 136 136 LEU H H 1 8.280 0.020 . . . . . A 136 LEU H . 25437 1 1513 . 1 1 136 136 LEU HA H 1 4.432 0.020 . . . . . A 136 LEU HA . 25437 1 1514 . 1 1 136 136 LEU HB2 H 1 1.642 0.020 . . . . . A 136 LEU HB2 . 25437 1 1515 . 1 1 136 136 LEU HB3 H 1 1.642 0.020 . . . . . A 136 LEU HB3 . 25437 1 1516 . 1 1 136 136 LEU HG H 1 1.621 0.020 . . . . . A 136 LEU HG . 25437 1 1517 . 1 1 136 136 LEU HD11 H 1 1.094 0.020 . . . . . A 136 LEU HD11 . 25437 1 1518 . 1 1 136 136 LEU HD12 H 1 1.094 0.020 . . . . . A 136 LEU HD12 . 25437 1 1519 . 1 1 136 136 LEU HD13 H 1 1.094 0.020 . . . . . A 136 LEU HD13 . 25437 1 1520 . 1 1 136 136 LEU HD21 H 1 0.727 0.020 . . . . . A 136 LEU HD21 . 25437 1 1521 . 1 1 136 136 LEU HD22 H 1 0.727 0.020 . . . . . A 136 LEU HD22 . 25437 1 1522 . 1 1 136 136 LEU HD23 H 1 0.727 0.020 . . . . . A 136 LEU HD23 . 25437 1 1523 . 1 1 136 136 LEU CA C 13 54.772 0.400 . . . . . A 136 LEU CA . 25437 1 1524 . 1 1 136 136 LEU CB C 13 42.524 0.400 . . . . . A 136 LEU CB . 25437 1 1525 . 1 1 136 136 LEU CG C 13 27.202 0.400 . . . . . A 136 LEU CG . 25437 1 1526 . 1 1 136 136 LEU CD1 C 13 26.046 0.400 . . . . . A 136 LEU CD1 . 25437 1 1527 . 1 1 136 136 LEU CD2 C 13 22.755 0.400 . . . . . A 136 LEU CD2 . 25437 1 1528 . 1 1 136 136 LEU N N 15 119.357 0.400 . . . . . A 136 LEU N . 25437 1 1529 . 1 1 137 137 VAL H H 1 7.328 0.020 . . . . . A 137 VAL H . 25437 1 1530 . 1 1 137 137 VAL HA H 1 3.741 0.020 . . . . . A 137 VAL HA . 25437 1 1531 . 1 1 137 137 VAL HB H 1 1.699 0.020 . . . . . A 137 VAL HB . 25437 1 1532 . 1 1 137 137 VAL HG11 H 1 0.862 0.020 . . . . . A 137 VAL HG11 . 25437 1 1533 . 1 1 137 137 VAL HG12 H 1 0.862 0.020 . . . . . A 137 VAL HG12 . 25437 1 1534 . 1 1 137 137 VAL HG13 H 1 0.862 0.020 . . . . . A 137 VAL HG13 . 25437 1 1535 . 1 1 137 137 VAL HG21 H 1 0.718 0.020 . . . . . A 137 VAL HG21 . 25437 1 1536 . 1 1 137 137 VAL HG22 H 1 0.718 0.020 . . . . . A 137 VAL HG22 . 25437 1 1537 . 1 1 137 137 VAL HG23 H 1 0.718 0.020 . . . . . A 137 VAL HG23 . 25437 1 1538 . 1 1 137 137 VAL CA C 13 64.730 0.400 . . . . . A 137 VAL CA . 25437 1 1539 . 1 1 137 137 VAL CB C 13 32.655 0.400 . . . . . A 137 VAL CB . 25437 1 1540 . 1 1 137 137 VAL CG1 C 13 21.752 0.400 . . . . . A 137 VAL CG1 . 25437 1 1541 . 1 1 137 137 VAL CG2 C 13 21.544 0.400 . . . . . A 137 VAL CG2 . 25437 1 1542 . 1 1 137 137 VAL N N 15 126.461 0.400 . . . . . A 137 VAL N . 25437 1 stop_ save_