data_17546 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17546 _Entry.Title ; Refined Structural Basis for the Photoconversion of A Phytochrome to the Activated FAR-RED LIGHT-ABSORBING Form ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-03-23 _Entry.Accession_date 2011-03-23 _Entry.Last_release_date 2011-05-03 _Entry.Original_release_date 2011-05-03 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Claudia Cornilescu . C. . 17546 2 Gabriel Cornilescu . . . 17546 3 Andrew Ulijasz . T. . 17546 4 Richard Vierstra . D. . 17546 5 John Markley . L. . 17546 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' . 17546 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'GAF domain' . 17546 KINASE . 17546 PHOSPHOPROTEIN . 17546 PHYTOCHROME . 17546 TRANSFERASE . 17546 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17546 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 587 17546 '15N chemical shifts' 148 17546 '1H chemical shifts' 755 17546 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-05-03 2011-03-23 original author . 17546 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LB5 'BMRB Entry Tracking System' 17546 stop_ save_ ############### # Citations # ############### save_Pfr _Citation.Sf_category citations _Citation.Sf_framecode Pfr _Citation.Entry_ID 17546 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20075921 _Citation.Full_citation . _Citation.Title 'Structural basis for the photoconversion of a phytochrome to the activated Pfr form' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Nature _Citation.Journal_name_full . _Citation.Journal_volume 463 _Citation.Journal_issue 7278 _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 250 _Citation.Page_last 254 _Citation.Year 2010 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Andrew Ulijasz . T. . 17546 1 2 Gabriel Cornilescu . . . 17546 1 3 Claudia Cornilescu . C. . 17546 1 4 Junrui Zhang . . . 17546 1 5 Mario Rivera . . . 17546 1 6 John Markley . L. . 17546 1 7 Richard Vierstra . D. . 17546 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17546 _Assembly.ID 1 _Assembly.Name Phytochrome _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 Phytochrome 1 $Phytochrome A . yes native no no . . . 17546 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Phytochrome _Entity.Sf_category entity _Entity.Sf_framecode Phytochrome _Entity.Entry_ID 17546 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Phytochrome _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 ; PSRLIRQSLDQILRATVEEV RAFLGTDRVKVYRFDPEGHG TVVAEARGGERLPSLLGLTF AGDIEARRLFRLAQVRVIVD VEAQSRSISQWSARVEPLQR PVDPXHVHYLKSMGVASSLV VPLMHHQELWGLLVSHHAEP YSQEQVVLLADQVSIAIAQA ELSL ; _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 yes _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 164 _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 18968.801 _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 12 PRO . 17546 1 2 13 SER . 17546 1 3 14 ARG . 17546 1 4 17 LEU . 17546 1 5 18 ILE . 17546 1 6 26 ARG . 17546 1 7 27 GLN . 17546 1 8 28 SER . 17546 1 9 31 LEU . 17546 1 10 32 ASP . 17546 1 11 33 GLN . 17546 1 12 34 ILE . 17546 1 13 35 LEU . 17546 1 14 36 ARG . 17546 1 15 37 ALA . 17546 1 16 38 THR . 17546 1 17 39 VAL . 17546 1 18 40 GLU . 17546 1 19 41 GLU . 17546 1 20 42 VAL . 17546 1 21 43 ARG . 17546 1 22 44 ALA . 17546 1 23 45 PHE . 17546 1 24 46 LEU . 17546 1 25 47 GLY . 17546 1 26 48 THR . 17546 1 27 49 ASP . 17546 1 28 50 ARG . 17546 1 29 51 VAL . 17546 1 30 52 LYS . 17546 1 31 53 VAL . 17546 1 32 54 TYR . 17546 1 33 55 ARG . 17546 1 34 56 PHE . 17546 1 35 57 ASP . 17546 1 36 58 PRO . 17546 1 37 59 GLU . 17546 1 38 60 GLY . 17546 1 39 61 HIS . 17546 1 40 62 GLY . 17546 1 41 63 THR . 17546 1 42 64 VAL . 17546 1 43 65 VAL . 17546 1 44 66 ALA . 17546 1 45 67 GLU . 17546 1 46 68 ALA . 17546 1 47 69 ARG . 17546 1 48 70 GLY . 17546 1 49 71 GLY . 17546 1 50 72 GLU . 17546 1 51 73 ARG . 17546 1 52 74 LEU . 17546 1 53 75 PRO . 17546 1 54 76 SER . 17546 1 55 77 LEU . 17546 1 56 78 LEU . 17546 1 57 79 GLY . 17546 1 58 80 LEU . 17546 1 59 81 THR . 17546 1 60 82 PHE . 17546 1 61 84 ALA . 17546 1 62 85 GLY . 17546 1 63 86 ASP . 17546 1 64 87 ILE . 17546 1 65 90 GLU . 17546 1 66 91 ALA . 17546 1 67 92 ARG . 17546 1 68 93 ARG . 17546 1 69 94 LEU . 17546 1 70 95 PHE . 17546 1 71 96 ARG . 17546 1 72 97 LEU . 17546 1 73 98 ALA . 17546 1 74 99 GLN . 17546 1 75 100 VAL . 17546 1 76 101 ARG . 17546 1 77 102 VAL . 17546 1 78 103 ILE . 17546 1 79 104 VAL . 17546 1 80 105 ASP . 17546 1 81 106 VAL . 17546 1 82 107 GLU . 17546 1 83 108 ALA . 17546 1 84 109 GLN . 17546 1 85 110 SER . 17546 1 86 111 ARG . 17546 1 87 112 SER . 17546 1 88 113 ILE . 17546 1 89 114 SER . 17546 1 90 115 GLN . 17546 1 91 119 TRP . 17546 1 92 122 SER . 17546 1 93 123 ALA . 17546 1 94 124 ARG . 17546 1 95 125 VAL . 17546 1 96 129 GLU . 17546 1 97 130 PRO . 17546 1 98 131 LEU . 17546 1 99 132 GLN . 17546 1 100 133 ARG . 17546 1 101 134 PRO . 17546 1 102 135 VAL . 17546 1 103 136 ASP . 17546 1 104 137 PRO . 17546 1 105 138 CYC . 17546 1 106 139 HIS . 17546 1 107 140 VAL . 17546 1 108 141 HIS . 17546 1 109 142 TYR . 17546 1 110 143 LEU . 17546 1 111 144 LYS . 17546 1 112 145 SER . 17546 1 113 146 MET . 17546 1 114 147 GLY . 17546 1 115 148 VAL . 17546 1 116 149 ALA . 17546 1 117 150 SER . 17546 1 118 151 SER . 17546 1 119 152 LEU . 17546 1 120 153 VAL . 17546 1 121 154 VAL . 17546 1 122 155 PRO . 17546 1 123 156 LEU . 17546 1 124 157 MET . 17546 1 125 158 HIS . 17546 1 126 159 HIS . 17546 1 127 160 GLN . 17546 1 128 161 GLU . 17546 1 129 162 LEU . 17546 1 130 163 TRP . 17546 1 131 164 GLY . 17546 1 132 165 LEU . 17546 1 133 166 LEU . 17546 1 134 167 VAL . 17546 1 135 168 SER . 17546 1 136 169 HIS . 17546 1 137 170 HIS . 17546 1 138 171 ALA . 17546 1 139 172 GLU . 17546 1 140 175 PRO . 17546 1 141 176 TYR . 17546 1 142 177 SER . 17546 1 143 178 GLN . 17546 1 144 179 GLU . 17546 1 145 182 GLN . 17546 1 146 183 VAL . 17546 1 147 184 VAL . 17546 1 148 186 LEU . 17546 1 149 187 LEU . 17546 1 150 188 ALA . 17546 1 151 189 ASP . 17546 1 152 190 GLN . 17546 1 153 191 VAL . 17546 1 154 192 SER . 17546 1 155 193 ILE . 17546 1 156 194 ALA . 17546 1 157 195 ILE . 17546 1 158 196 ALA . 17546 1 159 197 GLN . 17546 1 160 198 ALA . 17546 1 161 199 GLU . 17546 1 162 200 LEU . 17546 1 163 201 SER . 17546 1 164 202 LEU . 17546 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 . PRO 1 1 17546 1 . SER 2 2 17546 1 . ARG 3 3 17546 1 . LEU 4 4 17546 1 . ILE 5 5 17546 1 . ARG 6 6 17546 1 . GLN 7 7 17546 1 . SER 8 8 17546 1 . LEU 9 9 17546 1 . ASP 10 10 17546 1 . GLN 11 11 17546 1 . ILE 12 12 17546 1 . LEU 13 13 17546 1 . ARG 14 14 17546 1 . ALA 15 15 17546 1 . THR 16 16 17546 1 . VAL 17 17 17546 1 . GLU 18 18 17546 1 . GLU 19 19 17546 1 . VAL 20 20 17546 1 . ARG 21 21 17546 1 . ALA 22 22 17546 1 . PHE 23 23 17546 1 . LEU 24 24 17546 1 . GLY 25 25 17546 1 . THR 26 26 17546 1 . ASP 27 27 17546 1 . ARG 28 28 17546 1 . VAL 29 29 17546 1 . LYS 30 30 17546 1 . VAL 31 31 17546 1 . TYR 32 32 17546 1 . ARG 33 33 17546 1 . PHE 34 34 17546 1 . ASP 35 35 17546 1 . PRO 36 36 17546 1 . GLU 37 37 17546 1 . GLY 38 38 17546 1 . HIS 39 39 17546 1 . GLY 40 40 17546 1 . THR 41 41 17546 1 . VAL 42 42 17546 1 . VAL 43 43 17546 1 . ALA 44 44 17546 1 . GLU 45 45 17546 1 . ALA 46 46 17546 1 . ARG 47 47 17546 1 . GLY 48 48 17546 1 . GLY 49 49 17546 1 . GLU 50 50 17546 1 . ARG 51 51 17546 1 . LEU 52 52 17546 1 . PRO 53 53 17546 1 . SER 54 54 17546 1 . LEU 55 55 17546 1 . LEU 56 56 17546 1 . GLY 57 57 17546 1 . LEU 58 58 17546 1 . THR 59 59 17546 1 . PHE 60 60 17546 1 . ALA 61 61 17546 1 . GLY 62 62 17546 1 . ASP 63 63 17546 1 . ILE 64 64 17546 1 . GLU 65 65 17546 1 . ALA 66 66 17546 1 . ARG 67 67 17546 1 . ARG 68 68 17546 1 . LEU 69 69 17546 1 . PHE 70 70 17546 1 . ARG 71 71 17546 1 . LEU 72 72 17546 1 . ALA 73 73 17546 1 . GLN 74 74 17546 1 . VAL 75 75 17546 1 . ARG 76 76 17546 1 . VAL 77 77 17546 1 . ILE 78 78 17546 1 . VAL 79 79 17546 1 . ASP 80 80 17546 1 . VAL 81 81 17546 1 . GLU 82 82 17546 1 . ALA 83 83 17546 1 . GLN 84 84 17546 1 . SER 85 85 17546 1 . ARG 86 86 17546 1 . SER 87 87 17546 1 . ILE 88 88 17546 1 . SER 89 89 17546 1 . GLN 90 90 17546 1 . TRP 91 91 17546 1 . SER 92 92 17546 1 . ALA 93 93 17546 1 . ARG 94 94 17546 1 . VAL 95 95 17546 1 . GLU 96 96 17546 1 . PRO 97 97 17546 1 . LEU 98 98 17546 1 . GLN 99 99 17546 1 . ARG 100 100 17546 1 . PRO 101 101 17546 1 . VAL 102 102 17546 1 . ASP 103 103 17546 1 . PRO 104 104 17546 1 . CYC 105 105 17546 1 . HIS 106 106 17546 1 . VAL 107 107 17546 1 . HIS 108 108 17546 1 . TYR 109 109 17546 1 . LEU 110 110 17546 1 . LYS 111 111 17546 1 . SER 112 112 17546 1 . MET 113 113 17546 1 . GLY 114 114 17546 1 . VAL 115 115 17546 1 . ALA 116 116 17546 1 . SER 117 117 17546 1 . SER 118 118 17546 1 . LEU 119 119 17546 1 . VAL 120 120 17546 1 . VAL 121 121 17546 1 . PRO 122 122 17546 1 . LEU 123 123 17546 1 . MET 124 124 17546 1 . HIS 125 125 17546 1 . HIS 126 126 17546 1 . GLN 127 127 17546 1 . GLU 128 128 17546 1 . LEU 129 129 17546 1 . TRP 130 130 17546 1 . GLY 131 131 17546 1 . LEU 132 132 17546 1 . LEU 133 133 17546 1 . VAL 134 134 17546 1 . SER 135 135 17546 1 . HIS 136 136 17546 1 . HIS 137 137 17546 1 . ALA 138 138 17546 1 . GLU 139 139 17546 1 . PRO 140 140 17546 1 . TYR 141 141 17546 1 . SER 142 142 17546 1 . GLN 143 143 17546 1 . GLU 144 144 17546 1 . GLN 145 145 17546 1 . VAL 146 146 17546 1 . VAL 147 147 17546 1 . LEU 148 148 17546 1 . LEU 149 149 17546 1 . ALA 150 150 17546 1 . ASP 151 151 17546 1 . GLN 152 152 17546 1 . VAL 153 153 17546 1 . SER 154 154 17546 1 . ILE 155 155 17546 1 . ALA 156 156 17546 1 . ILE 157 157 17546 1 . ALA 158 158 17546 1 . GLN 159 159 17546 1 . ALA 160 160 17546 1 . GLU 161 161 17546 1 . LEU 162 162 17546 1 . SER 163 163 17546 1 . LEU 164 164 17546 1 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 17546 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Phytochrome . 1131 organism . 'Synechococcus SP' 'Synechococcus SP' . . Bacteria . Synechococcus SP . . . . . . . . . . . . . . . . . . . . . 17546 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 17546 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Phytochrome . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . PGEX-4T . . . . . . 17546 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CYC _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CYC _Chem_comp.Entry_ID 17546 _Chem_comp.ID CYC _Chem_comp.Provenance . _Chem_comp.Name PHYCOCYANOBILIN _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code CYC _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2008-10-14 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CYC _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic no _Chem_comp.Aromatic yes _Chem_comp.Formula 'C33 H40 N4 O6' _Chem_comp.Formula_weight 588.694 _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 1CPC _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Apr 8 12:21:20 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CCC1C(C(=O)NC1=Cc2c(c(c([nH]2)C=C3C(=C(C(=N3)C=C4C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)C SMILES 'OpenEye OEToolkits' 1.5.0 17546 CYC CC[C@@H]1[C@@H](C)C(=O)N\C1=C/c2[nH]c(\C=C3/N=C(\C=C4/NC(=O)C(=C4C)CC)C(=C3CCC(O)=O)C)c(CCC(O)=O)c2C SMILES_CANONICAL CACTVS 3.341 17546 CYC CC[CH]1[CH](C)C(=O)NC1=Cc2[nH]c(C=C3N=C(C=C4NC(=O)C(=C4C)CC)C(=C3CCC(O)=O)C)c(CCC(O)=O)c2C SMILES CACTVS 3.341 17546 CYC CC[C@@H]\1[C@H](C(=O)N/C1=C\c2c(c(c([nH]2)\C=C/3\C(=C(C(=N3)\C=C/4\C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)C SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 17546 CYC InChI=1/C33H40N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h13-15,19-20,35H,7-12H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-,28-15-/t19-,20-/m1/s1/f/h36-38,40H InChI InChI 1.02b 17546 CYC VXTXPYZGDQPMHK-RVIVOHGNDQ InChIKey InChI 1.02b 17546 CYC 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 '3-[(2Z)-2-[[3-(2-carboxyethyl)-5-[(Z)-[(3R,4R)-3-ethyl-4-methyl-5-oxo-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(Z)-(4-ethyl-3-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-3-yl]propanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 17546 CYC (3R,4R)-4-ethyl-3-methyl-5-methylenepyrrolidin-2-one 'SYSTEMATIC NAME' ACD-LABS 4.04 17546 CYC 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 CHA . CHA . . C . . N 0 . . . . no no . . . . 16.072 . -11.574 . -17.298 . 0.268 -0.622 -2.329 1 . 17546 CYC NA . NA . . N . . N 0 . . . . no no . . . . 14.262 . -13.278 . -17.145 . -1.390 -0.099 -0.610 2 . 17546 CYC C1A . C1A . . C . . N 0 . . . . no no . . . . 14.747 . -11.984 . -17.112 . -1.045 -0.538 -1.824 3 . 17546 CYC C2A . C2A . . C . . N 0 . . . . no no . . . . 13.728 . -11.126 . -16.625 . -2.224 -0.897 -2.519 4 . 17546 CYC C3A . C3A . . C . . N 0 . . . . no no . . . . 12.553 . -11.911 . -16.509 . -3.264 -0.664 -1.675 5 . 17546 CYC C4A . C4A . . C . . N 0 . . . . no no . . . . 12.899 . -13.242 . -16.846 . -2.714 -0.157 -0.475 6 . 17546 CYC CMA . CMA . . C . . N 0 . . . . no no . . . . 11.203 . -11.379 . -16.135 . -4.725 -0.897 -1.964 7 . 17546 CYC CAA . CAA . . C . . N 0 . . . . no no . . . . 13.886 . -9.738 . -16.100 . -2.309 -1.442 -3.922 8 . 17546 CYC CBA . CBA . . C . . N 0 . . . . no no . . . . 14.280 . -9.828 . -14.581 . -2.455 -0.283 -4.911 9 . 17546 CYC CGA . CGA . . C . . N 0 . . . . no no . . . . 15.763 . -9.548 . -14.423 . -2.541 -0.827 -6.313 10 . 17546 CYC O1A . O1A . . O . . N 0 . . . . no no . . . . 16.410 . -10.079 . -13.469 . -2.490 -2.020 -6.503 11 . 17546 CYC O2A . O2A . . O . . N 0 . . . . no no . . . . 16.282 . -8.743 . -15.262 . -2.673 0.011 -7.352 12 . 17546 CYC CHB . CHB . . C . . N 0 . . . . no no . . . . 12.006 . -14.365 . -16.911 . -3.447 0.224 0.675 13 . 17546 CYC NB . NB . . N . . N 0 . . . . no no . . . . 10.914 . -14.235 . -14.608 . -1.450 1.151 1.796 14 . 17546 CYC C1B . C1B . . C . . N 0 . . . . no no . . . . 11.114 . -14.835 . -15.895 . -2.805 0.840 1.727 15 . 17546 CYC C2B . C2B . . C . . N 0 . . . . no no . . . . 10.295 . -16.021 . -15.972 . -3.403 1.277 2.928 16 . 17546 CYC C3B . C3B . . C . . N 0 . . . . no no . . . . 9.520 . -16.056 . -14.783 . -2.423 1.826 3.695 17 . 17546 CYC C4B . C4B . . C . . N 0 . . . . no no . . . . 9.952 . -14.886 . -13.935 . -1.212 1.746 2.980 18 . 17546 CYC CMB . CMB . . C . . N 0 . . . . no no . . . . 10.208 . -17.019 . -17.077 . -4.859 1.150 3.298 19 . 17546 CYC CAB . CAB . . C . . N 0 . . . . no no . . . . 8.480 . -17.082 . -14.505 . -2.603 2.421 5.068 20 . 17546 CYC CBB . CBB . . C . . N 0 . . . . no no . . . . 7.111 . -16.406 . -14.410 . -2.299 1.360 6.127 21 . 17546 CYC OB . OB . . O . . N 0 . . . . no no . . . . 9.560 . -14.550 . -12.786 . -0.129 2.149 3.369 22 . 17546 CYC NC . NC . . N . . N 0 . . . . no no . . . . 20.847 . -14.689 . -20.726 . 1.128 -1.517 2.423 23 . 17546 CYC C1C . C1C . . C . . N 0 . . . . no no . . . . 21.538 . -15.374 . -21.636 . 0.543 -1.978 3.536 24 . 17546 CYC C2C . C2C . . C . . R 0 . . . . no no . . . . 21.141 . -16.843 . -21.715 . 1.289 -1.467 4.747 25 . 17546 CYC C3C . C3C . . C . . R 0 . . . . no no . . . . 20.014 . -16.879 . -20.661 . 2.429 -0.616 4.154 26 . 17546 CYC C4C . C4C . . C . . N 0 . . . . no no . . . . 19.877 . -15.510 . -20.085 . 2.221 -0.722 2.659 27 . 17546 CYC CMC . CMC . . C . . N 0 . . . . no no . . . . 20.636 . -17.098 . -23.144 . 0.374 -0.605 5.620 28 . 17546 CYC CAC . CAC . . C . . N 0 . . . . no no . . . . 20.179 . -18.039 . -19.615 . 3.790 -1.190 4.549 29 . 17546 CYC CBC . CBC . . C . . N 0 . . . . no no . . . . 20.016 . -19.399 . -20.329 . 3.971 -1.077 6.064 30 . 17546 CYC OC . OC . . O . . N 0 . . . . no no . . . . 22.420 . -14.918 . -22.359 . -0.435 -2.694 3.567 31 . 17546 CYC CHD . CHD . . C . . N 0 . . . . no no . . . . 18.816 . -15.053 . -19.282 . 2.984 -0.136 1.714 32 . 17546 CYC ND . ND . . N . . N 0 . . . . yes no . . . . 17.212 . -13.553 . -18.257 . 1.328 -0.450 -0.102 33 . 17546 CYC C1D . C1D . . C . . N 0 . . . . yes no . . . . 18.494 . -13.816 . -18.691 . 2.589 -0.185 0.355 34 . 17546 CYC C2D . C2D . . C . . N 0 . . . . yes no . . . . 19.326 . -12.648 . -18.415 . 3.421 0.033 -0.744 35 . 17546 CYC C3D . C3D . . C . . N 0 . . . . yes no . . . . 18.480 . -11.682 . -17.886 . 2.662 -0.109 -1.885 36 . 17546 CYC C4D . C4D . . C . . N 0 . . . . yes no . . . . 17.178 . -12.262 . -17.796 . 1.350 -0.408 -1.486 37 . 17546 CYC CMD . CMD . . C . . N 0 . . . . no no . . . . 20.780 . -12.407 . -18.647 . 4.891 0.357 -0.693 38 . 17546 CYC CAD . CAD . . C . . N 0 . . . . no no . . . . 18.918 . -10.360 . -17.354 . 3.150 0.036 -3.303 39 . 17546 CYC CBD . CBD . . C . . N 0 . . . . no no . . . . 19.071 . -9.232 . -18.399 . 3.005 1.494 -3.745 40 . 17546 CYC CGD . CGD . . C . . N 0 . . . . no no . . . . 19.672 . -7.982 . -17.708 . 3.493 1.640 -5.163 41 . 17546 CYC O1D . O1D . . O . . N 0 . . . . no no . . . . 20.012 . -7.018 . -18.466 . 3.914 0.677 -5.760 42 . 17546 CYC O2D . O2D . . O . . N 0 . . . . no no . . . . 19.829 . -7.970 . -16.431 . 3.460 2.840 -5.764 43 . 17546 CYC HHA . HHA . . H . . N 0 . . . . no no . . . . 16.279 . -10.532 . -17.001 . 0.432 -0.854 -3.371 44 . 17546 CYC HMA1 . HMA1 . . H . . N 0 . . . . no no . . . . 10.279 . -11.996 . -16.043 . -5.318 -0.611 -1.095 45 . 17546 CYC HMA2 . HMA2 . . H . . N 0 . . . . no no . . . . 11.326 . -10.838 . -15.167 . -5.025 -0.296 -2.822 46 . 17546 CYC HMA3 . HMA3 . . H . . N 0 . . . . no no . . . . 10.971 . -10.555 . -16.850 . -4.888 -1.952 -2.185 47 . 17546 CYC HAA1 . HAA1 . . H . . N 0 . . . . no no . . . . 14.608 . -9.132 . -16.696 . -1.403 -2.002 -4.150 48 . 17546 CYC HAA2 . HAA2 . . H . . N 0 . . . . no no . . . . 12.982 . -9.107 . -16.272 . -3.174 -2.100 -4.004 49 . 17546 CYC HBA1 . HBA1 . . H . . N 0 . . . . no no . . . . 13.655 . -9.159 . -13.944 . -3.362 0.277 -4.682 50 . 17546 CYC HBA2 . HBA2 . . H . . N 0 . . . . no no . . . . 13.985 . -10.802 . -14.126 . -1.590 0.375 -4.829 51 . 17546 CYC H2A . H2A . . H . . N 0 . . . . no no . . . . 17.210 . -8.567 . -15.163 . -2.728 -0.337 -8.252 52 . 17546 CYC HHB . HHB . . H . . N 0 . . . . no no . . . . 12.005 . -14.935 . -17.855 . -4.508 0.032 0.727 53 . 17546 CYC HB . HB . . H . . N 0 . . . . no no . . . . 11.403 . -13.431 . -14.213 . -0.790 0.970 1.108 54 . 17546 CYC HMB1 . HMB1 . . H . . N 0 . . . . no no . . . . 9.575 . -17.935 . -17.136 . -5.400 0.668 2.483 55 . 17546 CYC HMB2 . HMB2 . . H . . N 0 . . . . no no . . . . 9.969 . -16.430 . -17.993 . -4.953 0.549 4.202 56 . 17546 CYC HMB3 . HMB3 . . H . . N 0 . . . . no no . . . . 11.253 . -17.365 . -17.250 . -5.277 2.141 3.475 57 . 17546 CYC HAB1 . HAB1 . . H . . N 0 . . . . no no . . . . 8.491 . -17.907 . -15.254 . -1.922 3.263 5.191 58 . 17546 CYC HAB2 . HAB2 . . H . . N 0 . . . . no no . . . . 8.715 . -17.686 . -13.598 . -3.631 2.766 5.183 59 . 17546 CYC HBB1 . HBB1 . . H . . N 0 . . . . no no . . . . 6.331 . -17.175 . -14.201 . -2.429 1.791 7.120 60 . 17546 CYC HBB2 . HBB2 . . H . . N 0 . . . . no no . . . . 7.099 . -15.580 . -13.661 . -2.981 0.518 6.004 61 . 17546 CYC HBB3 . HBB3 . . H . . N 0 . . . . no no . . . . 6.875 . -15.801 . -15.316 . -1.272 1.016 6.012 62 . 17546 CYC HC . HC . . H . . N 0 . . . . no no . . . . 21.030 . -13.701 . -20.549 . 0.808 -1.725 1.532 63 . 17546 CYC H2C . H2C . . H . . N 0 . . . . no no . . . . 21.929 . -17.608 . -21.522 . 1.694 -2.298 5.325 64 . 17546 CYC H3C . H3C . . H . . N 0 . . . . no no . . . . 19.043 . -17.143 . -21.142 . 2.342 0.420 4.480 65 . 17546 CYC HMC1 . HMC1 . . H . . N 0 . . . . no no . . . . 20.345 . -18.172 . -23.201 . -0.364 -1.240 6.108 66 . 17546 CYC HMC2 . HMC2 . . H . . N 0 . . . . no no . . . . 19.816 . -16.406 . -23.448 . 0.970 -0.093 6.376 67 . 17546 CYC HMC3 . HMC3 . . H . . N 0 . . . . no no . . . . 21.371 . -16.800 . -23.927 . -0.133 0.130 4.997 68 . 17546 CYC HAC1 . HAC1 . . H . . N 0 . . . . no no . . . . 21.140 . -17.968 . -19.054 . 4.580 -0.633 4.046 69 . 17546 CYC HAC2 . HAC2 . . H . . N 0 . . . . no no . . . . 19.483 . -17.930 . -18.750 . 3.842 -2.239 4.255 70 . 17546 CYC HBC1 . HBC1 . . H . . N 0 . . . . no no . . . . 20.133 . -20.222 . -19.586 . 4.921 -1.527 6.352 71 . 17546 CYC HBC2 . HBC2 . . H . . N 0 . . . . no no . . . . 19.054 . -19.469 . -20.889 . 3.966 -0.026 6.353 72 . 17546 CYC HBC3 . HBC3 . . H . . N 0 . . . . no no . . . . 20.711 . -19.508 . -21.193 . 3.156 -1.596 6.568 73 . 17546 CYC HHD . HHD . . H . . N 0 . . . . no no . . . . 18.071 . -15.838 . -19.068 . 3.895 0.371 1.993 74 . 17546 CYC HD . HD . . H . . N 0 . . . . no no . . . . 16.424 . -14.201 . -18.274 . 0.551 -0.636 0.447 75 . 17546 CYC HMD1 . HMD1 . . H . . N 0 . . . . no no . . . . 21.415 . -11.515 . -18.436 . 5.024 1.438 -0.658 76 . 17546 CYC HMD2 . HMD2 . . H . . N 0 . . . . no no . . . . 21.294 . -13.250 . -18.129 . 5.332 -0.091 0.196 77 . 17546 CYC HMD3 . HMD3 . . H . . N 0 . . . . no no . . . . 20.933 . -12.615 . -19.731 . 5.382 -0.040 -1.581 78 . 17546 CYC HAD1 . HAD1 . . H . . N 0 . . . . no no . . . . 18.231 . -10.032 . -16.539 . 4.198 -0.257 -3.359 79 . 17546 CYC HAD2 . HAD2 . . H . . N 0 . . . . no no . . . . 19.866 . -10.477 . -16.779 . 2.558 -0.602 -3.959 80 . 17546 CYC HBD1 . HBD1 . . H . . N 0 . . . . no no . . . . 19.664 . -9.553 . -19.286 . 1.957 1.788 -3.690 81 . 17546 CYC HBD2 . HBD2 . . H . . N 0 . . . . no no . . . . 18.113 . -9.007 . -18.924 . 3.596 2.133 -3.090 82 . 17546 CYC H2D . H2D . . H . . N 0 . . . . no no . . . . 20.197 . -7.203 . -16.007 . 3.774 2.933 -6.674 83 . 17546 CYC stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB CHA C1A no Z 1 . 17546 CYC 2 . SING CHA C4D no N 2 . 17546 CYC 3 . SING CHA HHA no N 3 . 17546 CYC 4 . SING NA C1A no N 4 . 17546 CYC 5 . DOUB NA C4A no N 5 . 17546 CYC 6 . SING C1A C2A no N 6 . 17546 CYC 7 . DOUB C2A C3A no N 7 . 17546 CYC 8 . SING C2A CAA no N 8 . 17546 CYC 9 . SING C3A C4A no N 9 . 17546 CYC 10 . SING C3A CMA no N 10 . 17546 CYC 11 . SING C4A CHB no N 11 . 17546 CYC 12 . SING CMA HMA1 no N 12 . 17546 CYC 13 . SING CMA HMA2 no N 13 . 17546 CYC 14 . SING CMA HMA3 no N 14 . 17546 CYC 15 . SING CAA CBA no N 15 . 17546 CYC 16 . SING CAA HAA1 no N 16 . 17546 CYC 17 . SING CAA HAA2 no N 17 . 17546 CYC 18 . SING CBA CGA no N 18 . 17546 CYC 19 . SING CBA HBA1 no N 19 . 17546 CYC 20 . SING CBA HBA2 no N 20 . 17546 CYC 21 . DOUB CGA O1A no N 21 . 17546 CYC 22 . SING CGA O2A no N 22 . 17546 CYC 23 . SING O2A H2A no N 23 . 17546 CYC 24 . DOUB CHB C1B no Z 24 . 17546 CYC 25 . SING CHB HHB no N 25 . 17546 CYC 26 . SING NB C1B no N 26 . 17546 CYC 27 . SING NB C4B no N 27 . 17546 CYC 28 . SING NB HB no N 28 . 17546 CYC 29 . SING C1B C2B no N 29 . 17546 CYC 30 . DOUB C2B C3B no N 30 . 17546 CYC 31 . SING C2B CMB no N 31 . 17546 CYC 32 . SING C3B C4B no N 32 . 17546 CYC 33 . SING C3B CAB no N 33 . 17546 CYC 34 . DOUB C4B OB no N 34 . 17546 CYC 35 . SING CMB HMB1 no N 35 . 17546 CYC 36 . SING CMB HMB2 no N 36 . 17546 CYC 37 . SING CMB HMB3 no N 37 . 17546 CYC 38 . SING CAB CBB no N 38 . 17546 CYC 39 . SING CAB HAB1 no N 39 . 17546 CYC 40 . SING CAB HAB2 no N 40 . 17546 CYC 41 . SING CBB HBB1 no N 41 . 17546 CYC 42 . SING CBB HBB2 no N 42 . 17546 CYC 43 . SING CBB HBB3 no N 43 . 17546 CYC 44 . SING NC C1C no N 44 . 17546 CYC 45 . SING NC C4C no N 45 . 17546 CYC 46 . SING NC HC no N 46 . 17546 CYC 47 . SING C1C C2C no N 47 . 17546 CYC 48 . DOUB C1C OC no N 48 . 17546 CYC 49 . SING C2C C3C no N 49 . 17546 CYC 50 . SING C2C CMC no N 50 . 17546 CYC 51 . SING C2C H2C no N 51 . 17546 CYC 52 . SING C3C C4C no N 52 . 17546 CYC 53 . SING C3C CAC no N 53 . 17546 CYC 54 . SING C3C H3C no N 54 . 17546 CYC 55 . DOUB C4C CHD no Z 55 . 17546 CYC 56 . SING CMC HMC1 no N 56 . 17546 CYC 57 . SING CMC HMC2 no N 57 . 17546 CYC 58 . SING CMC HMC3 no N 58 . 17546 CYC 59 . SING CAC CBC no N 59 . 17546 CYC 60 . SING CAC HAC1 no N 60 . 17546 CYC 61 . SING CAC HAC2 no N 61 . 17546 CYC 62 . SING CBC HBC1 no N 62 . 17546 CYC 63 . SING CBC HBC2 no N 63 . 17546 CYC 64 . SING CBC HBC3 no N 64 . 17546 CYC 65 . SING CHD C1D no N 65 . 17546 CYC 66 . SING CHD HHD no N 66 . 17546 CYC 67 . SING ND C1D yes N 67 . 17546 CYC 68 . SING ND C4D yes N 68 . 17546 CYC 69 . SING ND HD no N 69 . 17546 CYC 70 . DOUB C1D C2D yes N 70 . 17546 CYC 71 . SING C2D C3D yes N 71 . 17546 CYC 72 . SING C2D CMD no N 72 . 17546 CYC 73 . DOUB C3D C4D yes N 73 . 17546 CYC 74 . SING C3D CAD no N 74 . 17546 CYC 75 . SING CMD HMD1 no N 75 . 17546 CYC 76 . SING CMD HMD2 no N 76 . 17546 CYC 77 . SING CMD HMD3 no N 77 . 17546 CYC 78 . SING CAD CBD no N 78 . 17546 CYC 79 . SING CAD HAD1 no N 79 . 17546 CYC 80 . SING CAD HAD2 no N 80 . 17546 CYC 81 . SING CBD CGD no N 81 . 17546 CYC 82 . SING CBD HBD1 no N 82 . 17546 CYC 83 . SING CBD HBD2 no N 83 . 17546 CYC 84 . DOUB CGD O1D no N 84 . 17546 CYC 85 . SING CGD O2D no N 85 . 17546 CYC 86 . SING O2D H2D no N 86 . 17546 CYC stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17546 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 Phytochrome '[U-13C; U-15N]' . . 1 $Phytochrome . . . 1 2 mM 0.1 . . . 17546 1 2 H2O 'natural abundance' . . . . . . 93 . . % . . . . 17546 1 3 D2O 'natural abundance' . . . . . . 7 . . % . . . . 17546 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 17546 _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' 10 1 mM 17546 1 pH 8.5 0.1 pH 17546 1 pressure 1 . atm 17546 1 temperature 298 0.1 K 17546 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 17546 _Software.ID 1 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 17546 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 17546 1 refinement 17546 1 'structure solution' 17546 1 stop_ save_ save_PIPP _Software.Sf_category software _Software.Sf_framecode PIPP _Software.Entry_ID 17546 _Software.ID 2 _Software.Name PIPP _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Garrett . . 17546 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17546 2 'data analysis' 17546 2 'peak picking' 17546 2 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 17546 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 17546 _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 Varian INOVA . 800 . . . 17546 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 17546 _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 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17546 1 2 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17546 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 17546 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.773 internal indirect 0.251449530 . . . . . . . . . 17546 1 H 1 water protons . . . . ppm 4.773 internal direct 1.000000000 . . . . . . . . . 17546 1 N 15 water protons . . . . ppm 4.773 internal indirect 0.101329118 . . . . . . . . . 17546 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 17546 _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 2 '3D 1H-13C NOESY' . . . 17546 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 PRO C C 13 176.214 . . . . . . . 12 PRO C . 17546 1 2 . 1 1 1 1 PRO CA C 13 63.477 . . . . . . . 12 PRO CA . 17546 1 3 . 1 1 1 1 PRO CB C 13 32.013 . . . . . . . 12 PRO CB . 17546 1 4 . 1 1 2 2 SER H H 1 7.993 . . . . . . . 13 SER H . 17546 1 5 . 1 1 2 2 SER C C 13 177.801 . . . . . . . 13 SER C . 17546 1 6 . 1 1 2 2 SER CA C 13 64.627 . . . . . . . 13 SER CA . 17546 1 7 . 1 1 2 2 SER CB C 13 64.760 . . . . . . . 13 SER CB . 17546 1 8 . 1 1 2 2 SER N N 15 121.843 . . . . . . . 13 SER N . 17546 1 9 . 1 1 3 3 ARG H H 1 7.522 . . . . . . . 14 ARG H . 17546 1 10 . 1 1 3 3 ARG N N 15 123.632 . . . . . . . 14 ARG N . 17546 1 11 . 1 1 4 4 LEU HA H 1 3.816 . . . . . . . 17 LEU HA . 17546 1 12 . 1 1 4 4 LEU HB2 H 1 1.648 . . . . . . . 17 LEU HB2 . 17546 1 13 . 1 1 4 4 LEU C C 13 177.942 . . . . . . . 17 LEU C . 17546 1 14 . 1 1 4 4 LEU CA C 13 58.148 . . . . . . . 17 LEU CA . 17546 1 15 . 1 1 4 4 LEU CB C 13 41.845 . . . . . . . 17 LEU CB . 17546 1 16 . 1 1 4 4 LEU CD1 C 13 25.386 . . . . . . . 17 LEU CD1 . 17546 1 17 . 1 1 5 5 ILE H H 1 7.910 . . . . . . . 18 ILE H . 17546 1 18 . 1 1 5 5 ILE N N 15 118.063 . . . . . . . 18 ILE N . 17546 1 19 . 1 1 6 6 ARG C C 13 178.781 . . . . . . . 26 ARG C . 17546 1 20 . 1 1 6 6 ARG CA C 13 60.067 . . . . . . . 26 ARG CA . 17546 1 21 . 1 1 6 6 ARG CB C 13 29.282 . . . . . . . 26 ARG CB . 17546 1 22 . 1 1 7 7 GLN H H 1 8.003 . . . . . . . 27 GLN H . 17546 1 23 . 1 1 7 7 GLN C C 13 176.793 . . . . . . . 27 GLN C . 17546 1 24 . 1 1 7 7 GLN CA C 13 58.619 . . . . . . . 27 GLN CA . 17546 1 25 . 1 1 7 7 GLN CB C 13 30.212 . . . . . . . 27 GLN CB . 17546 1 26 . 1 1 7 7 GLN N N 15 118.920 . . . . . . . 27 GLN N . 17546 1 27 . 1 1 8 8 SER H H 1 8.175 . . . . . . . 28 SER H . 17546 1 28 . 1 1 8 8 SER N N 15 118.066 . . . . . . . 28 SER N . 17546 1 29 . 1 1 9 9 LEU HA H 1 3.906 . . . . . . . 31 LEU HA . 17546 1 30 . 1 1 9 9 LEU HB2 H 1 1.49 . . . . . . . 31 LEU HB2 . 17546 1 31 . 1 1 9 9 LEU HB3 H 1 1.42 . . . . . . . 31 LEU HB3 . 17546 1 32 . 1 1 9 9 LEU HD11 H 1 0.85 . . . . . . . 31 LEU HD1 . 17546 1 33 . 1 1 9 9 LEU HD12 H 1 0.85 . . . . . . . 31 LEU HD1 . 17546 1 34 . 1 1 9 9 LEU HD13 H 1 0.85 . . . . . . . 31 LEU HD1 . 17546 1 35 . 1 1 9 9 LEU HD21 H 1 0.62 . . . . . . . 31 LEU HD2 . 17546 1 36 . 1 1 9 9 LEU HD22 H 1 0.62 . . . . . . . 31 LEU HD2 . 17546 1 37 . 1 1 9 9 LEU HD23 H 1 0.62 . . . . . . . 31 LEU HD2 . 17546 1 38 . 1 1 9 9 LEU C C 13 178.254 . . . . . . . 31 LEU C . 17546 1 39 . 1 1 9 9 LEU CA C 13 58.328 . . . . . . . 31 LEU CA . 17546 1 40 . 1 1 9 9 LEU CB C 13 41.636 . . . . . . . 31 LEU CB . 17546 1 41 . 1 1 9 9 LEU CD1 C 13 26.0 . . . . . . . 31 LEU CD1 . 17546 1 42 . 1 1 9 9 LEU CD2 C 13 23.0 . . . . . . . 31 LEU CD2 . 17546 1 43 . 1 1 10 10 ASP H H 1 8.865 . . . . . . . 32 ASP H . 17546 1 44 . 1 1 10 10 ASP HA H 1 4.234 . . . . . . . 32 ASP HA . 17546 1 45 . 1 1 10 10 ASP HB2 H 1 2.694 . . . . . . . 32 ASP HB2 . 17546 1 46 . 1 1 10 10 ASP HB3 H 1 2.655 . . . . . . . 32 ASP HB3 . 17546 1 47 . 1 1 10 10 ASP C C 13 178.689 . . . . . . . 32 ASP C . 17546 1 48 . 1 1 10 10 ASP CA C 13 58.138 . . . . . . . 32 ASP CA . 17546 1 49 . 1 1 10 10 ASP CB C 13 40.635 . . . . . . . 32 ASP CB . 17546 1 50 . 1 1 10 10 ASP N N 15 116.668 . . . . . . . 32 ASP N . 17546 1 51 . 1 1 11 11 GLN H H 1 7.396 . . . . . . . 33 GLN H . 17546 1 52 . 1 1 11 11 GLN HA H 1 4.051 . . . . . . . 33 GLN HA . 17546 1 53 . 1 1 11 11 GLN HB2 H 1 2.280 . . . . . . . 33 GLN HB2 . 17546 1 54 . 1 1 11 11 GLN HG2 H 1 2.477 . . . . . . . 33 GLN HG2 . 17546 1 55 . 1 1 11 11 GLN HE21 H 1 7.46 . . . . . . . 33 GLN HE21 . 17546 1 56 . 1 1 11 11 GLN HE22 H 1 6.74 . . . . . . . 33 GLN HE22 . 17546 1 57 . 1 1 11 11 GLN C C 13 178.967 . . . . . . . 33 GLN C . 17546 1 58 . 1 1 11 11 GLN CA C 13 58.725 . . . . . . . 33 GLN CA . 17546 1 59 . 1 1 11 11 GLN CB C 13 28.418 . . . . . . . 33 GLN CB . 17546 1 60 . 1 1 11 11 GLN CG C 13 33.976 . . . . . . . 33 GLN CG . 17546 1 61 . 1 1 11 11 GLN N N 15 116.956 . . . . . . . 33 GLN N . 17546 1 62 . 1 1 11 11 GLN NE2 N 15 111.50 . . . . . . . 33 GLN NE2 . 17546 1 63 . 1 1 12 12 ILE H H 1 7.766 . . . . . . . 34 ILE H . 17546 1 64 . 1 1 12 12 ILE HA H 1 3.740 . . . . . . . 34 ILE HA . 17546 1 65 . 1 1 12 12 ILE C C 13 179.745 . . . . . . . 34 ILE C . 17546 1 66 . 1 1 12 12 ILE CA C 13 64.484 . . . . . . . 34 ILE CA . 17546 1 67 . 1 1 12 12 ILE CB C 13 37.803 . . . . . . . 34 ILE CB . 17546 1 68 . 1 1 12 12 ILE N N 15 121.822 . . . . . . . 34 ILE N . 17546 1 69 . 1 1 13 13 LEU H H 1 8.891 . . . . . . . 35 LEU H . 17546 1 70 . 1 1 13 13 LEU HA H 1 3.83 . . . . . . . 35 LEU HA . 17546 1 71 . 1 1 13 13 LEU HB2 H 1 2.1 . . . . . . . 35 LEU HB2 . 17546 1 72 . 1 1 13 13 LEU HD11 H 1 0.98 . . . . . . . 35 LEU HD1 . 17546 1 73 . 1 1 13 13 LEU HD12 H 1 0.98 . . . . . . . 35 LEU HD1 . 17546 1 74 . 1 1 13 13 LEU HD13 H 1 0.98 . . . . . . . 35 LEU HD1 . 17546 1 75 . 1 1 13 13 LEU HD21 H 1 0.64 . . . . . . . 35 LEU HD2 . 17546 1 76 . 1 1 13 13 LEU HD22 H 1 0.64 . . . . . . . 35 LEU HD2 . 17546 1 77 . 1 1 13 13 LEU HD23 H 1 0.64 . . . . . . . 35 LEU HD2 . 17546 1 78 . 1 1 13 13 LEU C C 13 178.424 . . . . . . . 35 LEU C . 17546 1 79 . 1 1 13 13 LEU CA C 13 58.389 . . . . . . . 35 LEU CA . 17546 1 80 . 1 1 13 13 LEU CB C 13 41.283 . . . . . . . 35 LEU CB . 17546 1 81 . 1 1 13 13 LEU CD1 C 13 26.3 . . . . . . . 35 LEU CD1 . 17546 1 82 . 1 1 13 13 LEU CD2 C 13 22.1 . . . . . . . 35 LEU CD2 . 17546 1 83 . 1 1 13 13 LEU N N 15 122.005 . . . . . . . 35 LEU N . 17546 1 84 . 1 1 14 14 ARG H H 1 7.898 . . . . . . . 36 ARG H . 17546 1 85 . 1 1 14 14 ARG HA H 1 3.966 . . . . . . . 36 ARG HA . 17546 1 86 . 1 1 14 14 ARG HB2 H 1 1.93 . . . . . . . 36 ARG HB2 . 17546 1 87 . 1 1 14 14 ARG HG2 H 1 1.67 . . . . . . . 36 ARG HG2 . 17546 1 88 . 1 1 14 14 ARG HD2 H 1 3.305 . . . . . . . 36 ARG HD2 . 17546 1 89 . 1 1 14 14 ARG HD3 H 1 3.20 . . . . . . . 36 ARG HD3 . 17546 1 90 . 1 1 14 14 ARG C C 13 177.784 . . . . . . . 36 ARG C . 17546 1 91 . 1 1 14 14 ARG CA C 13 59.947 . . . . . . . 36 ARG CA . 17546 1 92 . 1 1 14 14 ARG CB C 13 30.382 . . . . . . . 36 ARG CB . 17546 1 93 . 1 1 14 14 ARG CG C 13 28.4 . . . . . . . 36 ARG CG . 17546 1 94 . 1 1 14 14 ARG CD C 13 43.921 . . . . . . . 36 ARG CD . 17546 1 95 . 1 1 14 14 ARG N N 15 118.516 . . . . . . . 36 ARG N . 17546 1 96 . 1 1 15 15 ALA H H 1 7.988 . . . . . . . 37 ALA H . 17546 1 97 . 1 1 15 15 ALA HA H 1 4.147 . . . . . . . 37 ALA HA . 17546 1 98 . 1 1 15 15 ALA HB1 H 1 1.476 . . . . . . . 37 ALA HB . 17546 1 99 . 1 1 15 15 ALA HB2 H 1 1.476 . . . . . . . 37 ALA HB . 17546 1 100 . 1 1 15 15 ALA HB3 H 1 1.476 . . . . . . . 37 ALA HB . 17546 1 101 . 1 1 15 15 ALA C C 13 180.065 . . . . . . . 37 ALA C . 17546 1 102 . 1 1 15 15 ALA CA C 13 54.675 . . . . . . . 37 ALA CA . 17546 1 103 . 1 1 15 15 ALA CB C 13 18.261 . . . . . . . 37 ALA CB . 17546 1 104 . 1 1 15 15 ALA N N 15 120.131 . . . . . . . 37 ALA N . 17546 1 105 . 1 1 16 16 THR H H 1 8.229 . . . . . . . 38 THR H . 17546 1 106 . 1 1 16 16 THR HA H 1 3.637 . . . . . . . 38 THR HA . 17546 1 107 . 1 1 16 16 THR HB H 1 4.20 . . . . . . . 38 THR HB . 17546 1 108 . 1 1 16 16 THR C C 13 176.569 . . . . . . . 38 THR C . 17546 1 109 . 1 1 16 16 THR CA C 13 68.436 . . . . . . . 38 THR CA . 17546 1 110 . 1 1 16 16 THR CB C 13 68.156 . . . . . . . 38 THR CB . 17546 1 111 . 1 1 16 16 THR N N 15 113.871 . . . . . . . 38 THR N . 17546 1 112 . 1 1 17 17 VAL H H 1 8.028 . . . . . . . 39 VAL H . 17546 1 113 . 1 1 17 17 VAL HA H 1 3.768 . . . . . . . 39 VAL HA . 17546 1 114 . 1 1 17 17 VAL HB H 1 1.98 . . . . . . . 39 VAL HB . 17546 1 115 . 1 1 17 17 VAL HG11 H 1 1.12 . . . . . . . 39 VAL HG1 . 17546 1 116 . 1 1 17 17 VAL HG12 H 1 1.12 . . . . . . . 39 VAL HG1 . 17546 1 117 . 1 1 17 17 VAL HG13 H 1 1.12 . . . . . . . 39 VAL HG1 . 17546 1 118 . 1 1 17 17 VAL HG21 H 1 0.86 . . . . . . . 39 VAL HG2 . 17546 1 119 . 1 1 17 17 VAL HG22 H 1 0.86 . . . . . . . 39 VAL HG2 . 17546 1 120 . 1 1 17 17 VAL HG23 H 1 0.86 . . . . . . . 39 VAL HG2 . 17546 1 121 . 1 1 17 17 VAL C C 13 177.657 . . . . . . . 39 VAL C . 17546 1 122 . 1 1 17 17 VAL CA C 13 66.114 . . . . . . . 39 VAL CA . 17546 1 123 . 1 1 17 17 VAL CB C 13 30.391 . . . . . . . 39 VAL CB . 17546 1 124 . 1 1 17 17 VAL CG1 C 13 20.6 . . . . . . . 39 VAL CG1 . 17546 1 125 . 1 1 17 17 VAL CG2 C 13 24.6 . . . . . . . 39 VAL CG2 . 17546 1 126 . 1 1 17 17 VAL N N 15 112.859 . . . . . . . 39 VAL N . 17546 1 127 . 1 1 18 18 GLU H H 1 7.638 . . . . . . . 40 GLU H . 17546 1 128 . 1 1 18 18 GLU HA H 1 3.92 . . . . . . . 40 GLU HA . 17546 1 129 . 1 1 18 18 GLU HB2 H 1 2.08 . . . . . . . 40 GLU HB2 . 17546 1 130 . 1 1 18 18 GLU HG2 H 1 2.49 . . . . . . . 40 GLU HG2 . 17546 1 131 . 1 1 18 18 GLU C C 13 179.889 . . . . . . . 40 GLU C . 17546 1 132 . 1 1 18 18 GLU CA C 13 59.379 . . . . . . . 40 GLU CA . 17546 1 133 . 1 1 18 18 GLU CB C 13 29.287 . . . . . . . 40 GLU CB . 17546 1 134 . 1 1 18 18 GLU CG C 13 36.094 . . . . . . . 40 GLU CG . 17546 1 135 . 1 1 18 18 GLU N N 15 120.495 . . . . . . . 40 GLU N . 17546 1 136 . 1 1 19 19 GLU H H 1 8.454 . . . . . . . 41 GLU H . 17546 1 137 . 1 1 19 19 GLU C C 13 179.15 . . . . . . . 41 GLU C . 17546 1 138 . 1 1 19 19 GLU CA C 13 59.445 . . . . . . . 41 GLU CA . 17546 1 139 . 1 1 19 19 GLU CB C 13 28.163 . . . . . . . 41 GLU CB . 17546 1 140 . 1 1 19 19 GLU N N 15 119.490 . . . . . . . 41 GLU N . 17546 1 141 . 1 1 20 20 VAL H H 1 8.78 . . . . . . . 42 VAL H . 17546 1 142 . 1 1 20 20 VAL HA H 1 3.54 . . . . . . . 42 VAL HA . 17546 1 143 . 1 1 20 20 VAL HB H 1 2.12 . . . . . . . 42 VAL HB . 17546 1 144 . 1 1 20 20 VAL HG11 H 1 1.06 . . . . . . . 42 VAL HG1 . 17546 1 145 . 1 1 20 20 VAL HG12 H 1 1.06 . . . . . . . 42 VAL HG1 . 17546 1 146 . 1 1 20 20 VAL HG13 H 1 1.06 . . . . . . . 42 VAL HG1 . 17546 1 147 . 1 1 20 20 VAL HG21 H 1 0.93 . . . . . . . 42 VAL HG2 . 17546 1 148 . 1 1 20 20 VAL HG22 H 1 0.93 . . . . . . . 42 VAL HG2 . 17546 1 149 . 1 1 20 20 VAL HG23 H 1 0.93 . . . . . . . 42 VAL HG2 . 17546 1 150 . 1 1 20 20 VAL C C 13 177.267 . . . . . . . 42 VAL C . 17546 1 151 . 1 1 20 20 VAL CA C 13 67.3 . . . . . . . 42 VAL CA . 17546 1 152 . 1 1 20 20 VAL CB C 13 31.6 . . . . . . . 42 VAL CB . 17546 1 153 . 1 1 20 20 VAL CG1 C 13 25.2 . . . . . . . 42 VAL CG1 . 17546 1 154 . 1 1 20 20 VAL CG2 C 13 22.9 . . . . . . . 42 VAL CG2 . 17546 1 155 . 1 1 20 20 VAL N N 15 120.3 . . . . . . . 42 VAL N . 17546 1 156 . 1 1 21 21 ARG H H 1 8.590 . . . . . . . 43 ARG H . 17546 1 157 . 1 1 21 21 ARG C C 13 177.125 . . . . . . . 43 ARG C . 17546 1 158 . 1 1 21 21 ARG CA C 13 58.178 . . . . . . . 43 ARG CA . 17546 1 159 . 1 1 21 21 ARG CB C 13 29.554 . . . . . . . 43 ARG CB . 17546 1 160 . 1 1 21 21 ARG N N 15 119.197 . . . . . . . 43 ARG N . 17546 1 161 . 1 1 22 22 ALA H H 1 7.990 . . . . . . . 44 ALA H . 17546 1 162 . 1 1 22 22 ALA HA H 1 4.14 . . . . . . . 44 ALA HA . 17546 1 163 . 1 1 22 22 ALA HB1 H 1 1.562 . . . . . . . 44 ALA HB . 17546 1 164 . 1 1 22 22 ALA HB2 H 1 1.562 . . . . . . . 44 ALA HB . 17546 1 165 . 1 1 22 22 ALA HB3 H 1 1.562 . . . . . . . 44 ALA HB . 17546 1 166 . 1 1 22 22 ALA C C 13 179.646 . . . . . . . 44 ALA C . 17546 1 167 . 1 1 22 22 ALA CA C 13 54.795 . . . . . . . 44 ALA CA . 17546 1 168 . 1 1 22 22 ALA CB C 13 18.259 . . . . . . . 44 ALA CB . 17546 1 169 . 1 1 22 22 ALA N N 15 119.444 . . . . . . . 44 ALA N . 17546 1 170 . 1 1 23 23 PHE H H 1 8.094 . . . . . . . 45 PHE H . 17546 1 171 . 1 1 23 23 PHE HA H 1 4.34 . . . . . . . 45 PHE HA . 17546 1 172 . 1 1 23 23 PHE HB2 H 1 3.37 . . . . . . . 45 PHE HB2 . 17546 1 173 . 1 1 23 23 PHE HB3 H 1 3.06 . . . . . . . 45 PHE HB3 . 17546 1 174 . 1 1 23 23 PHE HD1 H 1 7.09 . . . . . . . 45 PHE HD1 . 17546 1 175 . 1 1 23 23 PHE HE1 H 1 6.96 . . . . . . . 45 PHE HE1 . 17546 1 176 . 1 1 23 23 PHE HZ H 1 7.01 . . . . . . . 45 PHE HZ . 17546 1 177 . 1 1 23 23 PHE C C 13 176.946 . . . . . . . 45 PHE C . 17546 1 178 . 1 1 23 23 PHE CA C 13 60.428 . . . . . . . 45 PHE CA . 17546 1 179 . 1 1 23 23 PHE CB C 13 39.937 . . . . . . . 45 PHE CB . 17546 1 180 . 1 1 23 23 PHE CD1 C 13 130.93 . . . . . . . 45 PHE CD1 . 17546 1 181 . 1 1 23 23 PHE CE1 C 13 131.5 . . . . . . . 45 PHE CE1 . 17546 1 182 . 1 1 23 23 PHE N N 15 118.130 . . . . . . . 45 PHE N . 17546 1 183 . 1 1 24 24 LEU H H 1 8.433 . . . . . . . 46 LEU H . 17546 1 184 . 1 1 24 24 LEU HA H 1 3.762 . . . . . . . 46 LEU HA . 17546 1 185 . 1 1 24 24 LEU HB2 H 1 1.86 . . . . . . . 46 LEU HB2 . 17546 1 186 . 1 1 24 24 LEU HB3 H 1 1.34 . . . . . . . 46 LEU HB3 . 17546 1 187 . 1 1 24 24 LEU HD11 H 1 0.86 . . . . . . . 46 LEU HD1 . 17546 1 188 . 1 1 24 24 LEU HD12 H 1 0.86 . . . . . . . 46 LEU HD1 . 17546 1 189 . 1 1 24 24 LEU HD13 H 1 0.86 . . . . . . . 46 LEU HD1 . 17546 1 190 . 1 1 24 24 LEU HD21 H 1 0.80 . . . . . . . 46 LEU HD2 . 17546 1 191 . 1 1 24 24 LEU HD22 H 1 0.80 . . . . . . . 46 LEU HD2 . 17546 1 192 . 1 1 24 24 LEU HD23 H 1 0.80 . . . . . . . 46 LEU HD2 . 17546 1 193 . 1 1 24 24 LEU C C 13 178.063 . . . . . . . 46 LEU C . 17546 1 194 . 1 1 24 24 LEU CA C 13 55.108 . . . . . . . 46 LEU CA . 17546 1 195 . 1 1 24 24 LEU CB C 13 44.498 . . . . . . . 46 LEU CB . 17546 1 196 . 1 1 24 24 LEU CD1 C 13 26.374 . . . . . . . 46 LEU CD1 . 17546 1 197 . 1 1 24 24 LEU CD2 C 13 22.1 . . . . . . . 46 LEU CD2 . 17546 1 198 . 1 1 24 24 LEU N N 15 114.838 . . . . . . . 46 LEU N . 17546 1 199 . 1 1 25 25 GLY H H 1 8.764 . . . . . . . 47 GLY H . 17546 1 200 . 1 1 25 25 GLY HA2 H 1 3.850 . . . . . . . 47 GLY HA2 . 17546 1 201 . 1 1 25 25 GLY C C 13 176.061 . . . . . . . 47 GLY C . 17546 1 202 . 1 1 25 25 GLY CA C 13 46.445 . . . . . . . 47 GLY CA . 17546 1 203 . 1 1 25 25 GLY N N 15 109.523 . . . . . . . 47 GLY N . 17546 1 204 . 1 1 26 26 THR H H 1 7.022 . . . . . . . 48 THR H . 17546 1 205 . 1 1 26 26 THR HA H 1 4.782 . . . . . . . 48 THR HA . 17546 1 206 . 1 1 26 26 THR HB H 1 4.593 . . . . . . . 48 THR HB . 17546 1 207 . 1 1 26 26 THR C C 13 176.114 . . . . . . . 48 THR C . 17546 1 208 . 1 1 26 26 THR CA C 13 59.007 . . . . . . . 48 THR CA . 17546 1 209 . 1 1 26 26 THR CB C 13 70.728 . . . . . . . 48 THR CB . 17546 1 210 . 1 1 26 26 THR N N 15 105.919 . . . . . . . 48 THR N . 17546 1 211 . 1 1 27 27 ASP H H 1 10.302 . . . . . . . 49 ASP H . 17546 1 212 . 1 1 27 27 ASP C C 13 178.710 . . . . . . . 49 ASP C . 17546 1 213 . 1 1 27 27 ASP CA C 13 59.105 . . . . . . . 49 ASP CA . 17546 1 214 . 1 1 27 27 ASP CB C 13 43.026 . . . . . . . 49 ASP CB . 17546 1 215 . 1 1 27 27 ASP N N 15 120.829 . . . . . . . 49 ASP N . 17546 1 216 . 1 1 28 28 ARG H H 1 8.530 . . . . . . . 50 ARG H . 17546 1 217 . 1 1 28 28 ARG HA H 1 5.215 . . . . . . . 50 ARG HA . 17546 1 218 . 1 1 28 28 ARG C C 13 173.302 . . . . . . . 50 ARG C . 17546 1 219 . 1 1 28 28 ARG CA C 13 56.940 . . . . . . . 50 ARG CA . 17546 1 220 . 1 1 28 28 ARG CB C 13 35.928 . . . . . . . 50 ARG CB . 17546 1 221 . 1 1 28 28 ARG N N 15 119.846 . . . . . . . 50 ARG N . 17546 1 222 . 1 1 29 29 VAL H H 1 9.280 . . . . . . . 51 VAL H . 17546 1 223 . 1 1 29 29 VAL HA H 1 5.48 . . . . . . . 51 VAL HA . 17546 1 224 . 1 1 29 29 VAL HB H 1 1.879 . . . . . . . 51 VAL HB . 17546 1 225 . 1 1 29 29 VAL HG11 H 1 0.908 . . . . . . . 51 VAL HG1 . 17546 1 226 . 1 1 29 29 VAL HG12 H 1 0.908 . . . . . . . 51 VAL HG1 . 17546 1 227 . 1 1 29 29 VAL HG13 H 1 0.908 . . . . . . . 51 VAL HG1 . 17546 1 228 . 1 1 29 29 VAL C C 13 174.579 . . . . . . . 51 VAL C . 17546 1 229 . 1 1 29 29 VAL CA C 13 60.488 . . . . . . . 51 VAL CA . 17546 1 230 . 1 1 29 29 VAL CB C 13 35.142 . . . . . . . 51 VAL CB . 17546 1 231 . 1 1 29 29 VAL CG1 C 13 21.975 . . . . . . . 51 VAL CG1 . 17546 1 232 . 1 1 29 29 VAL N N 15 128.401 . . . . . . . 51 VAL N . 17546 1 233 . 1 1 30 30 LYS H H 1 9.552 . . . . . . . 52 LYS H . 17546 1 234 . 1 1 30 30 LYS HA H 1 5.404 . . . . . . . 52 LYS HA . 17546 1 235 . 1 1 30 30 LYS HB2 H 1 1.65 . . . . . . . 52 LYS HB2 . 17546 1 236 . 1 1 30 30 LYS HB3 H 1 1.42 . . . . . . . 52 LYS HB3 . 17546 1 237 . 1 1 30 30 LYS C C 13 176.307 . . . . . . . 52 LYS C . 17546 1 238 . 1 1 30 30 LYS CA C 13 54.358 . . . . . . . 52 LYS CA . 17546 1 239 . 1 1 30 30 LYS CB C 13 35.727 . . . . . . . 52 LYS CB . 17546 1 240 . 1 1 30 30 LYS CG C 13 23.159 . . . . . . . 52 LYS CG . 17546 1 241 . 1 1 30 30 LYS N N 15 124.977 . . . . . . . 52 LYS N . 17546 1 242 . 1 1 31 31 VAL H H 1 8.278 . . . . . . . 53 VAL H . 17546 1 243 . 1 1 31 31 VAL HA H 1 4.79 . . . . . . . 53 VAL HA . 17546 1 244 . 1 1 31 31 VAL HB H 1 1.79 . . . . . . . 53 VAL HB . 17546 1 245 . 1 1 31 31 VAL HG11 H 1 0.95 . . . . . . . 53 VAL HG1 . 17546 1 246 . 1 1 31 31 VAL HG12 H 1 0.95 . . . . . . . 53 VAL HG1 . 17546 1 247 . 1 1 31 31 VAL HG13 H 1 0.95 . . . . . . . 53 VAL HG1 . 17546 1 248 . 1 1 31 31 VAL HG21 H 1 0.88 . . . . . . . 53 VAL HG2 . 17546 1 249 . 1 1 31 31 VAL HG22 H 1 0.88 . . . . . . . 53 VAL HG2 . 17546 1 250 . 1 1 31 31 VAL HG23 H 1 0.88 . . . . . . . 53 VAL HG2 . 17546 1 251 . 1 1 31 31 VAL C C 13 173.174 . . . . . . . 53 VAL C . 17546 1 252 . 1 1 31 31 VAL CA C 13 62.449 . . . . . . . 53 VAL CA . 17546 1 253 . 1 1 31 31 VAL CB C 13 33.336 . . . . . . . 53 VAL CB . 17546 1 254 . 1 1 31 31 VAL CG1 C 13 22.4 . . . . . . . 53 VAL CG1 . 17546 1 255 . 1 1 31 31 VAL CG2 C 13 22.049 . . . . . . . 53 VAL CG2 . 17546 1 256 . 1 1 31 31 VAL N N 15 117.968 . . . . . . . 53 VAL N . 17546 1 257 . 1 1 32 32 TYR H H 1 9.312 . . . . . . . 54 TYR H . 17546 1 258 . 1 1 32 32 TYR HA H 1 4.897 . . . . . . . 54 TYR HA . 17546 1 259 . 1 1 32 32 TYR HB2 H 1 2.58 . . . . . . . 54 TYR HB2 . 17546 1 260 . 1 1 32 32 TYR HB3 H 1 2.12 . . . . . . . 54 TYR HB3 . 17546 1 261 . 1 1 32 32 TYR HD1 H 1 6.11 . . . . . . . 54 TYR HD1 . 17546 1 262 . 1 1 32 32 TYR HE1 H 1 6.35 . . . . . . . 54 TYR HE1 . 17546 1 263 . 1 1 32 32 TYR C C 13 172.873 . . . . . . . 54 TYR C . 17546 1 264 . 1 1 32 32 TYR CA C 13 55.362 . . . . . . . 54 TYR CA . 17546 1 265 . 1 1 32 32 TYR CB C 13 42.414 . . . . . . . 54 TYR CB . 17546 1 266 . 1 1 32 32 TYR CD1 C 13 131.8 . . . . . . . 54 TYR CD1 . 17546 1 267 . 1 1 32 32 TYR CE1 C 13 117.75 . . . . . . . 54 TYR CE1 . 17546 1 268 . 1 1 32 32 TYR N N 15 132.372 . . . . . . . 54 TYR N . 17546 1 269 . 1 1 33 33 ARG H H 1 8.721 . . . . . . . 55 ARG H . 17546 1 270 . 1 1 33 33 ARG HA H 1 3.892 . . . . . . . 55 ARG HA . 17546 1 271 . 1 1 33 33 ARG C C 13 175.874 . . . . . . . 55 ARG C . 17546 1 272 . 1 1 33 33 ARG CA C 13 54.862 . . . . . . . 55 ARG CA . 17546 1 273 . 1 1 33 33 ARG CB C 13 34.227 . . . . . . . 55 ARG CB . 17546 1 274 . 1 1 33 33 ARG CG C 13 26.027 . . . . . . . 55 ARG CG . 17546 1 275 . 1 1 33 33 ARG N N 15 128.165 . . . . . . . 55 ARG N . 17546 1 276 . 1 1 34 34 PHE H H 1 7.790 . . . . . . . 56 PHE H . 17546 1 277 . 1 1 34 34 PHE HA H 1 4.564 . . . . . . . 56 PHE HA . 17546 1 278 . 1 1 34 34 PHE HB2 H 1 3.104 . . . . . . . 56 PHE HB2 . 17546 1 279 . 1 1 34 34 PHE HB3 H 1 2.469 . . . . . . . 56 PHE HB3 . 17546 1 280 . 1 1 34 34 PHE HD1 H 1 7.11 . . . . . . . 56 PHE HD1 . 17546 1 281 . 1 1 34 34 PHE HE1 H 1 7.35 . . . . . . . 56 PHE HE1 . 17546 1 282 . 1 1 34 34 PHE HZ H 1 7.21 . . . . . . . 56 PHE HZ . 17546 1 283 . 1 1 34 34 PHE C C 13 175.508 . . . . . . . 56 PHE C . 17546 1 284 . 1 1 34 34 PHE CA C 13 59.736 . . . . . . . 56 PHE CA . 17546 1 285 . 1 1 34 34 PHE CB C 13 39.931 . . . . . . . 56 PHE CB . 17546 1 286 . 1 1 34 34 PHE CD1 C 13 131.6 . . . . . . . 56 PHE CD1 . 17546 1 287 . 1 1 34 34 PHE CE1 C 13 131.27 . . . . . . . 56 PHE CE1 . 17546 1 288 . 1 1 34 34 PHE N N 15 124.972 . . . . . . . 56 PHE N . 17546 1 289 . 1 1 35 35 ASP H H 1 9.052 . . . . . . . 57 ASP H . 17546 1 290 . 1 1 35 35 ASP HA H 1 4.85 . . . . . . . 57 ASP HA . 17546 1 291 . 1 1 35 35 ASP HB2 H 1 2.35 . . . . . . . 57 ASP HB2 . 17546 1 292 . 1 1 35 35 ASP HB3 H 1 2.14 . . . . . . . 57 ASP HB3 . 17546 1 293 . 1 1 35 35 ASP CA C 13 52.079 . . . . . . . 57 ASP CA . 17546 1 294 . 1 1 35 35 ASP CB C 13 41.904 . . . . . . . 57 ASP CB . 17546 1 295 . 1 1 35 35 ASP N N 15 125.115 . . . . . . . 57 ASP N . 17546 1 296 . 1 1 36 36 PRO HA H 1 4.220 . . . . . . . 58 PRO HA . 17546 1 297 . 1 1 36 36 PRO HB2 H 1 1.909 . . . . . . . 58 PRO HB2 . 17546 1 298 . 1 1 36 36 PRO C C 13 177.821 . . . . . . . 58 PRO C . 17546 1 299 . 1 1 36 36 PRO CA C 13 65.684 . . . . . . . 58 PRO CA . 17546 1 300 . 1 1 36 36 PRO CB C 13 31.987 . . . . . . . 58 PRO CB . 17546 1 301 . 1 1 37 37 GLU H H 1 8.745 . . . . . . . 59 GLU H . 17546 1 302 . 1 1 37 37 GLU HA H 1 4.186 . . . . . . . 59 GLU HA . 17546 1 303 . 1 1 37 37 GLU HB2 H 1 2.129 . . . . . . . 59 GLU HB2 . 17546 1 304 . 1 1 37 37 GLU HB3 H 1 2.036 . . . . . . . 59 GLU HB3 . 17546 1 305 . 1 1 37 37 GLU HG2 H 1 2.313 . . . . . . . 59 GLU HG2 . 17546 1 306 . 1 1 37 37 GLU C C 13 177.245 . . . . . . . 59 GLU C . 17546 1 307 . 1 1 37 37 GLU CA C 13 57.241 . . . . . . . 59 GLU CA . 17546 1 308 . 1 1 37 37 GLU CB C 13 29.846 . . . . . . . 59 GLU CB . 17546 1 309 . 1 1 37 37 GLU CG C 13 37.264 . . . . . . . 59 GLU CG . 17546 1 310 . 1 1 37 37 GLU N N 15 115.083 . . . . . . . 59 GLU N . 17546 1 311 . 1 1 38 38 GLY H H 1 8.128 . . . . . . . 60 GLY H . 17546 1 312 . 1 1 38 38 GLY HA2 H 1 4.40 . . . . . . . 60 GLY HA2 . 17546 1 313 . 1 1 38 38 GLY HA3 H 1 3.57 . . . . . . . 60 GLY HA3 . 17546 1 314 . 1 1 38 38 GLY C C 13 176.181 . . . . . . . 60 GLY C . 17546 1 315 . 1 1 38 38 GLY CA C 13 45.543 . . . . . . . 60 GLY CA . 17546 1 316 . 1 1 38 38 GLY N N 15 106.213 . . . . . . . 60 GLY N . 17546 1 317 . 1 1 39 39 HIS H H 1 7.518 . . . . . . . 61 HIS H . 17546 1 318 . 1 1 39 39 HIS HA H 1 4.74 . . . . . . . 61 HIS HA . 17546 1 319 . 1 1 39 39 HIS HB2 H 1 3.425 . . . . . . . 61 HIS HB2 . 17546 1 320 . 1 1 39 39 HIS HB3 H 1 3.14 . . . . . . . 61 HIS HB3 . 17546 1 321 . 1 1 39 39 HIS HD2 H 1 7.05 . . . . . . . 61 HIS HD2 . 17546 1 322 . 1 1 39 39 HIS C C 13 173.292 . . . . . . . 61 HIS C . 17546 1 323 . 1 1 39 39 HIS CA C 13 56.195 . . . . . . . 61 HIS CA . 17546 1 324 . 1 1 39 39 HIS CB C 13 30.491 . . . . . . . 61 HIS CB . 17546 1 325 . 1 1 39 39 HIS N N 15 121.201 . . . . . . . 61 HIS N . 17546 1 326 . 1 1 40 40 GLY H H 1 8.568 . . . . . . . 62 GLY H . 17546 1 327 . 1 1 40 40 GLY HA2 H 1 4.692 . . . . . . . 62 GLY HA2 . 17546 1 328 . 1 1 40 40 GLY HA3 H 1 2.708 . . . . . . . 62 GLY HA3 . 17546 1 329 . 1 1 40 40 GLY C C 13 171.820 . . . . . . . 62 GLY C . 17546 1 330 . 1 1 40 40 GLY CA C 13 45.833 . . . . . . . 62 GLY CA . 17546 1 331 . 1 1 40 40 GLY N N 15 108.190 . . . . . . . 62 GLY N . 17546 1 332 . 1 1 41 41 THR H H 1 7.585 . . . . . . . 63 THR H . 17546 1 333 . 1 1 41 41 THR HA H 1 5.372 . . . . . . . 63 THR HA . 17546 1 334 . 1 1 41 41 THR HB H 1 3.420 . . . . . . . 63 THR HB . 17546 1 335 . 1 1 41 41 THR HG21 H 1 0.887 . . . . . . . 63 THR HG2 . 17546 1 336 . 1 1 41 41 THR HG22 H 1 0.887 . . . . . . . 63 THR HG2 . 17546 1 337 . 1 1 41 41 THR HG23 H 1 0.887 . . . . . . . 63 THR HG2 . 17546 1 338 . 1 1 41 41 THR C C 13 174.273 . . . . . . . 63 THR C . 17546 1 339 . 1 1 41 41 THR CA C 13 60.465 . . . . . . . 63 THR CA . 17546 1 340 . 1 1 41 41 THR CB C 13 72.356 . . . . . . . 63 THR CB . 17546 1 341 . 1 1 41 41 THR CG2 C 13 22.15 . . . . . . . 63 THR CG2 . 17546 1 342 . 1 1 41 41 THR N N 15 113.619 . . . . . . . 63 THR N . 17546 1 343 . 1 1 42 42 VAL H H 1 8.594 . . . . . . . 64 VAL H . 17546 1 344 . 1 1 42 42 VAL C C 13 175.834 . . . . . . . 64 VAL C . 17546 1 345 . 1 1 42 42 VAL CA C 13 63.278 . . . . . . . 64 VAL CA . 17546 1 346 . 1 1 42 42 VAL CB C 13 30.604 . . . . . . . 64 VAL CB . 17546 1 347 . 1 1 42 42 VAL N N 15 126.787 . . . . . . . 64 VAL N . 17546 1 348 . 1 1 43 43 VAL H H 1 8.351 . . . . . . . 65 VAL H . 17546 1 349 . 1 1 43 43 VAL HA H 1 4.577 . . . . . . . 65 VAL HA . 17546 1 350 . 1 1 43 43 VAL HB H 1 2.416 . . . . . . . 65 VAL HB . 17546 1 351 . 1 1 43 43 VAL HG11 H 1 0.78 . . . . . . . 65 VAL HG1 . 17546 1 352 . 1 1 43 43 VAL HG12 H 1 0.78 . . . . . . . 65 VAL HG1 . 17546 1 353 . 1 1 43 43 VAL HG13 H 1 0.78 . . . . . . . 65 VAL HG1 . 17546 1 354 . 1 1 43 43 VAL HG21 H 1 0.74 . . . . . . . 65 VAL HG2 . 17546 1 355 . 1 1 43 43 VAL HG22 H 1 0.74 . . . . . . . 65 VAL HG2 . 17546 1 356 . 1 1 43 43 VAL HG23 H 1 0.74 . . . . . . . 65 VAL HG2 . 17546 1 357 . 1 1 43 43 VAL C C 13 175.360 . . . . . . . 65 VAL C . 17546 1 358 . 1 1 43 43 VAL CA C 13 61.256 . . . . . . . 65 VAL CA . 17546 1 359 . 1 1 43 43 VAL CB C 13 32.532 . . . . . . . 65 VAL CB . 17546 1 360 . 1 1 43 43 VAL CG1 C 13 21.9 . . . . . . . 65 VAL CG1 . 17546 1 361 . 1 1 43 43 VAL CG2 C 13 19.00 . . . . . . . 65 VAL CG2 . 17546 1 362 . 1 1 43 43 VAL N N 15 122.033 . . . . . . . 65 VAL N . 17546 1 363 . 1 1 44 44 ALA H H 1 7.650 . . . . . . . 66 ALA H . 17546 1 364 . 1 1 44 44 ALA HA H 1 4.570 . . . . . . . 66 ALA HA . 17546 1 365 . 1 1 44 44 ALA HB1 H 1 1.264 . . . . . . . 66 ALA HB . 17546 1 366 . 1 1 44 44 ALA HB2 H 1 1.264 . . . . . . . 66 ALA HB . 17546 1 367 . 1 1 44 44 ALA HB3 H 1 1.264 . . . . . . . 66 ALA HB . 17546 1 368 . 1 1 44 44 ALA C C 13 175.019 . . . . . . . 66 ALA C . 17546 1 369 . 1 1 44 44 ALA CA C 13 52.030 . . . . . . . 66 ALA CA . 17546 1 370 . 1 1 44 44 ALA CB C 13 22.078 . . . . . . . 66 ALA CB . 17546 1 371 . 1 1 44 44 ALA N N 15 121.958 . . . . . . . 66 ALA N . 17546 1 372 . 1 1 45 45 GLU H H 1 9.410 . . . . . . . 67 GLU H . 17546 1 373 . 1 1 45 45 GLU HA H 1 3.875 . . . . . . . 67 GLU HA . 17546 1 374 . 1 1 45 45 GLU C C 13 172.842 . . . . . . . 67 GLU C . 17546 1 375 . 1 1 45 45 GLU CA C 13 55.961 . . . . . . . 67 GLU CA . 17546 1 376 . 1 1 45 45 GLU CB C 13 36.522 . . . . . . . 67 GLU CB . 17546 1 377 . 1 1 45 45 GLU N N 15 123.801 . . . . . . . 67 GLU N . 17546 1 378 . 1 1 46 46 ALA H H 1 9.350 . . . . . . . 68 ALA H . 17546 1 379 . 1 1 46 46 ALA HA H 1 4.886 . . . . . . . 68 ALA HA . 17546 1 380 . 1 1 46 46 ALA HB1 H 1 1.264 . . . . . . . 68 ALA HB . 17546 1 381 . 1 1 46 46 ALA HB2 H 1 1.264 . . . . . . . 68 ALA HB . 17546 1 382 . 1 1 46 46 ALA HB3 H 1 1.264 . . . . . . . 68 ALA HB . 17546 1 383 . 1 1 46 46 ALA C C 13 175.801 . . . . . . . 68 ALA C . 17546 1 384 . 1 1 46 46 ALA CA C 13 50.881 . . . . . . . 68 ALA CA . 17546 1 385 . 1 1 46 46 ALA CB C 13 22.412 . . . . . . . 68 ALA CB . 17546 1 386 . 1 1 46 46 ALA N N 15 128.998 . . . . . . . 68 ALA N . 17546 1 387 . 1 1 47 47 ARG H H 1 9.046 . . . . . . . 69 ARG H . 17546 1 388 . 1 1 47 47 ARG HA H 1 5.36 . . . . . . . 69 ARG HA . 17546 1 389 . 1 1 47 47 ARG HB2 H 1 2.14 . . . . . . . 69 ARG HB2 . 17546 1 390 . 1 1 47 47 ARG HB3 H 1 1.91 . . . . . . . 69 ARG HB3 . 17546 1 391 . 1 1 47 47 ARG HG2 H 1 1.89 . . . . . . . 69 ARG HG2 . 17546 1 392 . 1 1 47 47 ARG HD2 H 1 3.31 . . . . . . . 69 ARG HD2 . 17546 1 393 . 1 1 47 47 ARG C C 13 176.317 . . . . . . . 69 ARG C . 17546 1 394 . 1 1 47 47 ARG CA C 13 54.700 . . . . . . . 69 ARG CA . 17546 1 395 . 1 1 47 47 ARG CB C 13 35.2 . . . . . . . 69 ARG CB . 17546 1 396 . 1 1 47 47 ARG CD C 13 43.8 . . . . . . . 69 ARG CD . 17546 1 397 . 1 1 47 47 ARG N N 15 120.897 . . . . . . . 69 ARG N . 17546 1 398 . 1 1 48 48 GLY H H 1 8.577 . . . . . . . 70 GLY H . 17546 1 399 . 1 1 48 48 GLY HA2 H 1 4.352 . . . . . . . 70 GLY HA2 . 17546 1 400 . 1 1 48 48 GLY C C 13 173.656 . . . . . . . 70 GLY C . 17546 1 401 . 1 1 48 48 GLY CA C 13 45.044 . . . . . . . 70 GLY CA . 17546 1 402 . 1 1 48 48 GLY N N 15 109.508 . . . . . . . 70 GLY N . 17546 1 403 . 1 1 49 49 GLY H H 1 7.889 . . . . . . . 71 GLY H . 17546 1 404 . 1 1 49 49 GLY CA C 13 45.13 . . . . . . . 71 GLY CA . 17546 1 405 . 1 1 49 49 GLY N N 15 110.267 . . . . . . . 71 GLY N . 17546 1 406 . 1 1 50 50 GLU HA H 1 4.588 . . . . . . . 72 GLU HA . 17546 1 407 . 1 1 50 50 GLU HB2 H 1 2.951 . . . . . . . 72 GLU HB2 . 17546 1 408 . 1 1 50 50 GLU HB3 H 1 2.272 . . . . . . . 72 GLU HB3 . 17546 1 409 . 1 1 50 50 GLU HG2 H 1 2.106 . . . . . . . 72 GLU HG2 . 17546 1 410 . 1 1 50 50 GLU HG3 H 1 2.969 . . . . . . . 72 GLU HG3 . 17546 1 411 . 1 1 50 50 GLU C C 13 176.927 . . . . . . . 72 GLU C . 17546 1 412 . 1 1 50 50 GLU CA C 13 55.139 . . . . . . . 72 GLU CA . 17546 1 413 . 1 1 50 50 GLU CB C 13 30.082 . . . . . . . 72 GLU CB . 17546 1 414 . 1 1 50 50 GLU CG C 13 35.753 . . . . . . . 72 GLU CG . 17546 1 415 . 1 1 51 51 ARG H H 1 8.056 . . . . . . . 73 ARG H . 17546 1 416 . 1 1 51 51 ARG HA H 1 4.238 . . . . . . . 73 ARG HA . 17546 1 417 . 1 1 51 51 ARG HB2 H 1 1.880 . . . . . . . 73 ARG HB2 . 17546 1 418 . 1 1 51 51 ARG HB3 H 1 1.726 . . . . . . . 73 ARG HB3 . 17546 1 419 . 1 1 51 51 ARG HG2 H 1 1.549 . . . . . . . 73 ARG HG2 . 17546 1 420 . 1 1 51 51 ARG HD2 H 1 3.157 . . . . . . . 73 ARG HD2 . 17546 1 421 . 1 1 51 51 ARG C C 13 176.801 . . . . . . . 73 ARG C . 17546 1 422 . 1 1 51 51 ARG CA C 13 60.223 . . . . . . . 73 ARG CA . 17546 1 423 . 1 1 51 51 ARG CB C 13 30.546 . . . . . . . 73 ARG CB . 17546 1 424 . 1 1 51 51 ARG CG C 13 27.08 . . . . . . . 73 ARG CG . 17546 1 425 . 1 1 51 51 ARG CD C 13 43.767 . . . . . . . 73 ARG CD . 17546 1 426 . 1 1 51 51 ARG N N 15 120.661 . . . . . . . 73 ARG N . 17546 1 427 . 1 1 52 52 LEU H H 1 8.038 . . . . . . . 74 LEU H . 17546 1 428 . 1 1 52 52 LEU CA C 13 50.647 . . . . . . . 74 LEU CA . 17546 1 429 . 1 1 52 52 LEU CB C 13 43.673 . . . . . . . 74 LEU CB . 17546 1 430 . 1 1 52 52 LEU N N 15 115.178 . . . . . . . 74 LEU N . 17546 1 431 . 1 1 53 53 PRO HA H 1 4.450 . . . . . . . 75 PRO HA . 17546 1 432 . 1 1 53 53 PRO C C 13 175.476 . . . . . . . 75 PRO C . 17546 1 433 . 1 1 53 53 PRO CA C 13 61.995 . . . . . . . 75 PRO CA . 17546 1 434 . 1 1 53 53 PRO CB C 13 32.943 . . . . . . . 75 PRO CB . 17546 1 435 . 1 1 53 53 PRO CG C 13 27.151 . . . . . . . 75 PRO CG . 17546 1 436 . 1 1 54 54 SER H H 1 8.676 . . . . . . . 76 SER H . 17546 1 437 . 1 1 54 54 SER C C 13 176.742 . . . . . . . 76 SER C . 17546 1 438 . 1 1 54 54 SER CA C 13 57.063 . . . . . . . 76 SER CA . 17546 1 439 . 1 1 54 54 SER CB C 13 64.063 . . . . . . . 76 SER CB . 17546 1 440 . 1 1 54 54 SER N N 15 112.225 . . . . . . . 76 SER N . 17546 1 441 . 1 1 55 55 LEU H H 1 11.568 . . . . . . . 77 LEU H . 17546 1 442 . 1 1 55 55 LEU HA H 1 4.780 . . . . . . . 77 LEU HA . 17546 1 443 . 1 1 55 55 LEU HB2 H 1 0.937 . . . . . . . 77 LEU HB2 . 17546 1 444 . 1 1 55 55 LEU C C 13 176.208 . . . . . . . 77 LEU C . 17546 1 445 . 1 1 55 55 LEU CA C 13 53.012 . . . . . . . 77 LEU CA . 17546 1 446 . 1 1 55 55 LEU CB C 13 43.258 . . . . . . . 77 LEU CB . 17546 1 447 . 1 1 55 55 LEU CD1 C 13 25.967 . . . . . . . 77 LEU CD1 . 17546 1 448 . 1 1 55 55 LEU N N 15 132.467 . . . . . . . 77 LEU N . 17546 1 449 . 1 1 56 56 LEU H H 1 7.525 . . . . . . . 78 LEU H . 17546 1 450 . 1 1 56 56 LEU HA H 1 3.567 . . . . . . . 78 LEU HA . 17546 1 451 . 1 1 56 56 LEU HB2 H 1 1.68 . . . . . . . 78 LEU HB2 . 17546 1 452 . 1 1 56 56 LEU HB3 H 1 1.29 . . . . . . . 78 LEU HB3 . 17546 1 453 . 1 1 56 56 LEU HG H 1 1.48 . . . . . . . 78 LEU HG . 17546 1 454 . 1 1 56 56 LEU HD11 H 1 0.934 . . . . . . . 78 LEU HD1 . 17546 1 455 . 1 1 56 56 LEU HD12 H 1 0.934 . . . . . . . 78 LEU HD1 . 17546 1 456 . 1 1 56 56 LEU HD13 H 1 0.934 . . . . . . . 78 LEU HD1 . 17546 1 457 . 1 1 56 56 LEU HD21 H 1 0.725 . . . . . . . 78 LEU HD2 . 17546 1 458 . 1 1 56 56 LEU HD22 H 1 0.725 . . . . . . . 78 LEU HD2 . 17546 1 459 . 1 1 56 56 LEU HD23 H 1 0.725 . . . . . . . 78 LEU HD2 . 17546 1 460 . 1 1 56 56 LEU C C 13 177.708 . . . . . . . 78 LEU C . 17546 1 461 . 1 1 56 56 LEU CA C 13 57.341 . . . . . . . 78 LEU CA . 17546 1 462 . 1 1 56 56 LEU CB C 13 41.650 . . . . . . . 78 LEU CB . 17546 1 463 . 1 1 56 56 LEU CG C 13 26.2 . . . . . . . 78 LEU CG . 17546 1 464 . 1 1 56 56 LEU CD1 C 13 25.990 . . . . . . . 78 LEU CD1 . 17546 1 465 . 1 1 56 56 LEU CD2 C 13 22.7 . . . . . . . 78 LEU CD2 . 17546 1 466 . 1 1 56 56 LEU N N 15 121.087 . . . . . . . 78 LEU N . 17546 1 467 . 1 1 57 57 GLY H H 1 8.863 . . . . . . . 79 GLY H . 17546 1 468 . 1 1 57 57 GLY HA2 H 1 3.616 . . . . . . . 79 GLY HA2 . 17546 1 469 . 1 1 57 57 GLY HA3 H 1 4.236 . . . . . . . 79 GLY HA3 . 17546 1 470 . 1 1 57 57 GLY C C 13 173.992 . . . . . . . 79 GLY C . 17546 1 471 . 1 1 57 57 GLY CA C 13 45.039 . . . . . . . 79 GLY CA . 17546 1 472 . 1 1 57 57 GLY N N 15 114.348 . . . . . . . 79 GLY N . 17546 1 473 . 1 1 58 58 LEU H H 1 8.154 . . . . . . . 80 LEU H . 17546 1 474 . 1 1 58 58 LEU HA H 1 4.37 . . . . . . . 80 LEU HA . 17546 1 475 . 1 1 58 58 LEU HB2 H 1 2.01 . . . . . . . 80 LEU HB2 . 17546 1 476 . 1 1 58 58 LEU HB3 H 1 1.16 . . . . . . . 80 LEU HB3 . 17546 1 477 . 1 1 58 58 LEU HG H 1 1.44 . . . . . . . 80 LEU HG . 17546 1 478 . 1 1 58 58 LEU HD11 H 1 0.94 . . . . . . . 80 LEU HD1 . 17546 1 479 . 1 1 58 58 LEU HD12 H 1 0.94 . . . . . . . 80 LEU HD1 . 17546 1 480 . 1 1 58 58 LEU HD13 H 1 0.94 . . . . . . . 80 LEU HD1 . 17546 1 481 . 1 1 58 58 LEU HD21 H 1 0.78 . . . . . . . 80 LEU HD2 . 17546 1 482 . 1 1 58 58 LEU HD22 H 1 0.78 . . . . . . . 80 LEU HD2 . 17546 1 483 . 1 1 58 58 LEU HD23 H 1 0.78 . . . . . . . 80 LEU HD2 . 17546 1 484 . 1 1 58 58 LEU C C 13 176.045 . . . . . . . 80 LEU C . 17546 1 485 . 1 1 58 58 LEU CA C 13 55.238 . . . . . . . 80 LEU CA . 17546 1 486 . 1 1 58 58 LEU CB C 13 42.243 . . . . . . . 80 LEU CB . 17546 1 487 . 1 1 58 58 LEU CG C 13 27.37 . . . . . . . 80 LEU CG . 17546 1 488 . 1 1 58 58 LEU CD1 C 13 25.715 . . . . . . . 80 LEU CD1 . 17546 1 489 . 1 1 58 58 LEU CD2 C 13 22.548 . . . . . . . 80 LEU CD2 . 17546 1 490 . 1 1 58 58 LEU N N 15 121.504 . . . . . . . 80 LEU N . 17546 1 491 . 1 1 59 59 THR H H 1 7.965 . . . . . . . 81 THR H . 17546 1 492 . 1 1 59 59 THR HA H 1 5.65 . . . . . . . 81 THR HA . 17546 1 493 . 1 1 59 59 THR HB H 1 3.776 . . . . . . . 81 THR HB . 17546 1 494 . 1 1 59 59 THR HG21 H 1 1.117 . . . . . . . 81 THR HG2 . 17546 1 495 . 1 1 59 59 THR HG22 H 1 1.117 . . . . . . . 81 THR HG2 . 17546 1 496 . 1 1 59 59 THR HG23 H 1 1.117 . . . . . . . 81 THR HG2 . 17546 1 497 . 1 1 59 59 THR C C 13 174.184 . . . . . . . 81 THR C . 17546 1 498 . 1 1 59 59 THR CA C 13 60.441 . . . . . . . 81 THR CA . 17546 1 499 . 1 1 59 59 THR CB C 13 71.393 . . . . . . . 81 THR CB . 17546 1 500 . 1 1 59 59 THR CG2 C 13 21.605 . . . . . . . 81 THR CG2 . 17546 1 501 . 1 1 59 59 THR N N 15 115.963 . . . . . . . 81 THR N . 17546 1 502 . 1 1 60 60 PHE H H 1 9.479 . . . . . . . 82 PHE H . 17546 1 503 . 1 1 60 60 PHE HD1 H 1 7.53 . . . . . . . 82 PHE HD1 . 17546 1 504 . 1 1 60 60 PHE HE1 H 1 7.28 . . . . . . . 82 PHE HE1 . 17546 1 505 . 1 1 60 60 PHE HZ H 1 7.22 . . . . . . . 82 PHE HZ . 17546 1 506 . 1 1 60 60 PHE CA C 13 55.279 . . . . . . . 82 PHE CA . 17546 1 507 . 1 1 60 60 PHE CB C 13 39.237 . . . . . . . 82 PHE CB . 17546 1 508 . 1 1 60 60 PHE CD1 C 13 132.7 . . . . . . . 82 PHE CD1 . 17546 1 509 . 1 1 60 60 PHE CE1 C 13 130.8 . . . . . . . 82 PHE CE1 . 17546 1 510 . 1 1 60 60 PHE N N 15 126.356 . . . . . . . 82 PHE N . 17546 1 511 . 1 1 61 61 ALA HA H 1 3.83 . . . . . . . 84 ALA HA . 17546 1 512 . 1 1 61 61 ALA HB1 H 1 1.24 . . . . . . . 84 ALA HB . 17546 1 513 . 1 1 61 61 ALA HB2 H 1 1.24 . . . . . . . 84 ALA HB . 17546 1 514 . 1 1 61 61 ALA HB3 H 1 1.24 . . . . . . . 84 ALA HB . 17546 1 515 . 1 1 61 61 ALA C C 13 180.663 . . . . . . . 84 ALA C . 17546 1 516 . 1 1 61 61 ALA CA C 13 54.748 . . . . . . . 84 ALA CA . 17546 1 517 . 1 1 61 61 ALA CB C 13 18.430 . . . . . . . 84 ALA CB . 17546 1 518 . 1 1 62 62 GLY H H 1 8.450 . . . . . . . 85 GLY H . 17546 1 519 . 1 1 62 62 GLY HA2 H 1 3.705 . . . . . . . 85 GLY HA2 . 17546 1 520 . 1 1 62 62 GLY C C 13 173.497 . . . . . . . 85 GLY C . 17546 1 521 . 1 1 62 62 GLY CA C 13 45.975 . . . . . . . 85 GLY CA . 17546 1 522 . 1 1 62 62 GLY N N 15 134.155 . . . . . . . 85 GLY N . 17546 1 523 . 1 1 63 63 ASP H H 1 7.353 . . . . . . . 86 ASP H . 17546 1 524 . 1 1 63 63 ASP HA H 1 4.055 . . . . . . . 86 ASP HA . 17546 1 525 . 1 1 63 63 ASP HB2 H 1 2.70 . . . . . . . 86 ASP HB2 . 17546 1 526 . 1 1 63 63 ASP HB3 H 1 2.575 . . . . . . . 86 ASP HB3 . 17546 1 527 . 1 1 63 63 ASP C C 13 175.980 . . . . . . . 86 ASP C . 17546 1 528 . 1 1 63 63 ASP CA C 13 56.648 . . . . . . . 86 ASP CA . 17546 1 529 . 1 1 63 63 ASP CB C 13 39.576 . . . . . . . 86 ASP CB . 17546 1 530 . 1 1 63 63 ASP N N 15 120.142 . . . . . . . 86 ASP N . 17546 1 531 . 1 1 64 64 ILE H H 1 7.285 . . . . . . . 87 ILE H . 17546 1 532 . 1 1 64 64 ILE HA H 1 3.72 . . . . . . . 87 ILE HA . 17546 1 533 . 1 1 64 64 ILE HB H 1 1.75 . . . . . . . 87 ILE HB . 17546 1 534 . 1 1 64 64 ILE HG21 H 1 0.76 . . . . . . . 87 ILE HG2 . 17546 1 535 . 1 1 64 64 ILE HG22 H 1 0.76 . . . . . . . 87 ILE HG2 . 17546 1 536 . 1 1 64 64 ILE HG23 H 1 0.76 . . . . . . . 87 ILE HG2 . 17546 1 537 . 1 1 64 64 ILE CA C 13 58.002 . . . . . . . 87 ILE CA . 17546 1 538 . 1 1 64 64 ILE CB C 13 38.146 . . . . . . . 87 ILE CB . 17546 1 539 . 1 1 64 64 ILE N N 15 114.934 . . . . . . . 87 ILE N . 17546 1 540 . 1 1 65 65 GLU HA H 1 3.907 . . . . . . . 90 GLU HA . 17546 1 541 . 1 1 65 65 GLU HB2 H 1 1.837 . . . . . . . 90 GLU HB2 . 17546 1 542 . 1 1 65 65 GLU HG2 H 1 2.341 . . . . . . . 90 GLU HG2 . 17546 1 543 . 1 1 65 65 GLU HG3 H 1 2.221 . . . . . . . 90 GLU HG3 . 17546 1 544 . 1 1 65 65 GLU C C 13 178.475 . . . . . . . 90 GLU C . 17546 1 545 . 1 1 65 65 GLU CA C 13 60.267 . . . . . . . 90 GLU CA . 17546 1 546 . 1 1 65 65 GLU CB C 13 28.499 . . . . . . . 90 GLU CB . 17546 1 547 . 1 1 65 65 GLU CG C 13 36.147 . . . . . . . 90 GLU CG . 17546 1 548 . 1 1 66 66 ALA H H 1 6.907 . . . . . . . 91 ALA H . 17546 1 549 . 1 1 66 66 ALA HA H 1 3.902 . . . . . . . 91 ALA HA . 17546 1 550 . 1 1 66 66 ALA HB1 H 1 1.122 . . . . . . . 91 ALA HB . 17546 1 551 . 1 1 66 66 ALA HB2 H 1 1.122 . . . . . . . 91 ALA HB . 17546 1 552 . 1 1 66 66 ALA HB3 H 1 1.122 . . . . . . . 91 ALA HB . 17546 1 553 . 1 1 66 66 ALA C C 13 180.248 . . . . . . . 91 ALA C . 17546 1 554 . 1 1 66 66 ALA CA C 13 54.019 . . . . . . . 91 ALA CA . 17546 1 555 . 1 1 66 66 ALA CB C 13 17.372 . . . . . . . 91 ALA CB . 17546 1 556 . 1 1 66 66 ALA N N 15 119.987 . . . . . . . 91 ALA N . 17546 1 557 . 1 1 67 67 ARG H H 1 7.571 . . . . . . . 92 ARG H . 17546 1 558 . 1 1 67 67 ARG C C 13 177.723 . . . . . . . 92 ARG C . 17546 1 559 . 1 1 67 67 ARG CA C 13 60.818 . . . . . . . 92 ARG CA . 17546 1 560 . 1 1 67 67 ARG CB C 13 29.593 . . . . . . . 92 ARG CB . 17546 1 561 . 1 1 67 67 ARG N N 15 118.368 . . . . . . . 92 ARG N . 17546 1 562 . 1 1 68 68 ARG H H 1 8.610 . . . . . . . 93 ARG H . 17546 1 563 . 1 1 68 68 ARG HA H 1 3.902 . . . . . . . 93 ARG HA . 17546 1 564 . 1 1 68 68 ARG HB2 H 1 1.823 . . . . . . . 93 ARG HB2 . 17546 1 565 . 1 1 68 68 ARG HG2 H 1 1.666 . . . . . . . 93 ARG HG2 . 17546 1 566 . 1 1 68 68 ARG HD2 H 1 3.187 . . . . . . . 93 ARG HD2 . 17546 1 567 . 1 1 68 68 ARG C C 13 177.892 . . . . . . . 93 ARG C . 17546 1 568 . 1 1 68 68 ARG CA C 13 59.763 . . . . . . . 93 ARG CA . 17546 1 569 . 1 1 68 68 ARG CB C 13 30.212 . . . . . . . 93 ARG CB . 17546 1 570 . 1 1 68 68 ARG CG C 13 27.841 . . . . . . . 93 ARG CG . 17546 1 571 . 1 1 68 68 ARG CD C 13 43.306 . . . . . . . 93 ARG CD . 17546 1 572 . 1 1 68 68 ARG N N 15 119.538 . . . . . . . 93 ARG N . 17546 1 573 . 1 1 69 69 LEU H H 1 7.438 . . . . . . . 94 LEU H . 17546 1 574 . 1 1 69 69 LEU HA H 1 4.046 . . . . . . . 94 LEU HA . 17546 1 575 . 1 1 69 69 LEU HB2 H 1 1.51 . . . . . . . 94 LEU HB2 . 17546 1 576 . 1 1 69 69 LEU HB3 H 1 1.36 . . . . . . . 94 LEU HB3 . 17546 1 577 . 1 1 69 69 LEU HD11 H 1 0.753 . . . . . . . 94 LEU HD1 . 17546 1 578 . 1 1 69 69 LEU HD12 H 1 0.753 . . . . . . . 94 LEU HD1 . 17546 1 579 . 1 1 69 69 LEU HD13 H 1 0.753 . . . . . . . 94 LEU HD1 . 17546 1 580 . 1 1 69 69 LEU HD21 H 1 0.67 . . . . . . . 94 LEU HD2 . 17546 1 581 . 1 1 69 69 LEU HD22 H 1 0.67 . . . . . . . 94 LEU HD2 . 17546 1 582 . 1 1 69 69 LEU HD23 H 1 0.67 . . . . . . . 94 LEU HD2 . 17546 1 583 . 1 1 69 69 LEU C C 13 180.697 . . . . . . . 94 LEU C . 17546 1 584 . 1 1 69 69 LEU CA C 13 57.805 . . . . . . . 94 LEU CA . 17546 1 585 . 1 1 69 69 LEU CB C 13 41.436 . . . . . . . 94 LEU CB . 17546 1 586 . 1 1 69 69 LEU CD1 C 13 24.2 . . . . . . . 94 LEU CD1 . 17546 1 587 . 1 1 69 69 LEU CD2 C 13 24.75 . . . . . . . 94 LEU CD2 . 17546 1 588 . 1 1 69 69 LEU N N 15 118.965 . . . . . . . 94 LEU N . 17546 1 589 . 1 1 70 70 PHE H H 1 7.709 . . . . . . . 95 PHE H . 17546 1 590 . 1 1 70 70 PHE HA H 1 4.45 . . . . . . . 95 PHE HA . 17546 1 591 . 1 1 70 70 PHE HB2 H 1 3.33 . . . . . . . 95 PHE HB2 . 17546 1 592 . 1 1 70 70 PHE HB3 H 1 3.07 . . . . . . . 95 PHE HB3 . 17546 1 593 . 1 1 70 70 PHE HD1 H 1 7.43 . . . . . . . 95 PHE HD1 . 17546 1 594 . 1 1 70 70 PHE HE1 H 1 7.22 . . . . . . . 95 PHE HE1 . 17546 1 595 . 1 1 70 70 PHE C C 13 176.838 . . . . . . . 95 PHE C . 17546 1 596 . 1 1 70 70 PHE CA C 13 60.908 . . . . . . . 95 PHE CA . 17546 1 597 . 1 1 70 70 PHE CB C 13 40.278 . . . . . . . 95 PHE CB . 17546 1 598 . 1 1 70 70 PHE CD1 C 13 132.45 . . . . . . . 95 PHE CD1 . 17546 1 599 . 1 1 70 70 PHE CE1 C 13 130.8 . . . . . . . 95 PHE CE1 . 17546 1 600 . 1 1 70 70 PHE N N 15 116.956 . . . . . . . 95 PHE N . 17546 1 601 . 1 1 71 71 ARG H H 1 8.209 . . . . . . . 96 ARG H . 17546 1 602 . 1 1 71 71 ARG HA H 1 3.988 . . . . . . . 96 ARG HA . 17546 1 603 . 1 1 71 71 ARG HB2 H 1 1.944 . . . . . . . 96 ARG HB2 . 17546 1 604 . 1 1 71 71 ARG HB3 H 1 1.686 . . . . . . . 96 ARG HB3 . 17546 1 605 . 1 1 71 71 ARG HD2 H 1 3.402 . . . . . . . 96 ARG HD2 . 17546 1 606 . 1 1 71 71 ARG C C 13 177.304 . . . . . . . 96 ARG C . 17546 1 607 . 1 1 71 71 ARG CA C 13 59.685 . . . . . . . 96 ARG CA . 17546 1 608 . 1 1 71 71 ARG CB C 13 31.851 . . . . . . . 96 ARG CB . 17546 1 609 . 1 1 71 71 ARG CG C 13 28.457 . . . . . . . 96 ARG CG . 17546 1 610 . 1 1 71 71 ARG CD C 13 43.550 . . . . . . . 96 ARG CD . 17546 1 611 . 1 1 71 71 ARG N N 15 116.384 . . . . . . . 96 ARG N . 17546 1 612 . 1 1 72 72 LEU H H 1 8.775 . . . . . . . 97 LEU H . 17546 1 613 . 1 1 72 72 LEU HA H 1 4.42 . . . . . . . 97 LEU HA . 17546 1 614 . 1 1 72 72 LEU HB2 H 1 1.800 . . . . . . . 97 LEU HB2 . 17546 1 615 . 1 1 72 72 LEU HB3 H 1 1.51 . . . . . . . 97 LEU HB3 . 17546 1 616 . 1 1 72 72 LEU HG H 1 1.74 . . . . . . . 97 LEU HG . 17546 1 617 . 1 1 72 72 LEU HD11 H 1 0.89 . . . . . . . 97 LEU HD1 . 17546 1 618 . 1 1 72 72 LEU HD12 H 1 0.89 . . . . . . . 97 LEU HD1 . 17546 1 619 . 1 1 72 72 LEU HD13 H 1 0.89 . . . . . . . 97 LEU HD1 . 17546 1 620 . 1 1 72 72 LEU C C 13 178.442 . . . . . . . 97 LEU C . 17546 1 621 . 1 1 72 72 LEU CA C 13 56.420 . . . . . . . 97 LEU CA . 17546 1 622 . 1 1 72 72 LEU CB C 13 42.846 . . . . . . . 97 LEU CB . 17546 1 623 . 1 1 72 72 LEU CG C 13 27.3 . . . . . . . 97 LEU CG . 17546 1 624 . 1 1 72 72 LEU CD1 C 13 25.093 . . . . . . . 97 LEU CD1 . 17546 1 625 . 1 1 72 72 LEU N N 15 115.154 . . . . . . . 97 LEU N . 17546 1 626 . 1 1 73 73 ALA H H 1 7.567 . . . . . . . 98 ALA H . 17546 1 627 . 1 1 73 73 ALA HA H 1 4.75 . . . . . . . 98 ALA HA . 17546 1 628 . 1 1 73 73 ALA HB1 H 1 1.406 . . . . . . . 98 ALA HB . 17546 1 629 . 1 1 73 73 ALA HB2 H 1 1.406 . . . . . . . 98 ALA HB . 17546 1 630 . 1 1 73 73 ALA HB3 H 1 1.406 . . . . . . . 98 ALA HB . 17546 1 631 . 1 1 73 73 ALA C C 13 175.228 . . . . . . . 98 ALA C . 17546 1 632 . 1 1 73 73 ALA CA C 13 51.267 . . . . . . . 98 ALA CA . 17546 1 633 . 1 1 73 73 ALA CB C 13 21.405 . . . . . . . 98 ALA CB . 17546 1 634 . 1 1 73 73 ALA N N 15 118.296 . . . . . . . 98 ALA N . 17546 1 635 . 1 1 74 74 GLN H H 1 7.700 . . . . . . . 99 GLN H . 17546 1 636 . 1 1 74 74 GLN HA H 1 4.366 . . . . . . . 99 GLN HA . 17546 1 637 . 1 1 74 74 GLN HG2 H 1 2.589 . . . . . . . 99 GLN HG2 . 17546 1 638 . 1 1 74 74 GLN HG3 H 1 2.316 . . . . . . . 99 GLN HG3 . 17546 1 639 . 1 1 74 74 GLN HE21 H 1 7.42 . . . . . . . 99 GLN HE21 . 17546 1 640 . 1 1 74 74 GLN HE22 H 1 6.85 . . . . . . . 99 GLN HE22 . 17546 1 641 . 1 1 74 74 GLN C C 13 175.116 . . . . . . . 99 GLN C . 17546 1 642 . 1 1 74 74 GLN CA C 13 57.718 . . . . . . . 99 GLN CA . 17546 1 643 . 1 1 74 74 GLN CB C 13 26.801 . . . . . . . 99 GLN CB . 17546 1 644 . 1 1 74 74 GLN CG C 13 35.926 . . . . . . . 99 GLN CG . 17546 1 645 . 1 1 74 74 GLN N N 15 114.199 . . . . . . . 99 GLN N . 17546 1 646 . 1 1 74 74 GLN NE2 N 15 111.7 . . . . . . . 99 GLN NE2 . 17546 1 647 . 1 1 75 75 VAL H H 1 6.460 . . . . . . . 100 VAL H . 17546 1 648 . 1 1 75 75 VAL HA H 1 4.27 . . . . . . . 100 VAL HA . 17546 1 649 . 1 1 75 75 VAL HB H 1 1.83 . . . . . . . 100 VAL HB . 17546 1 650 . 1 1 75 75 VAL HG11 H 1 0.71 . . . . . . . 100 VAL HG1 . 17546 1 651 . 1 1 75 75 VAL HG12 H 1 0.71 . . . . . . . 100 VAL HG1 . 17546 1 652 . 1 1 75 75 VAL HG13 H 1 0.71 . . . . . . . 100 VAL HG1 . 17546 1 653 . 1 1 75 75 VAL HG21 H 1 0.60 . . . . . . . 100 VAL HG2 . 17546 1 654 . 1 1 75 75 VAL HG22 H 1 0.60 . . . . . . . 100 VAL HG2 . 17546 1 655 . 1 1 75 75 VAL HG23 H 1 0.60 . . . . . . . 100 VAL HG2 . 17546 1 656 . 1 1 75 75 VAL C C 13 173.294 . . . . . . . 100 VAL C . 17546 1 657 . 1 1 75 75 VAL CA C 13 61.684 . . . . . . . 100 VAL CA . 17546 1 658 . 1 1 75 75 VAL CB C 13 32.238 . . . . . . . 100 VAL CB . 17546 1 659 . 1 1 75 75 VAL CG1 C 13 23.0 . . . . . . . 100 VAL CG1 . 17546 1 660 . 1 1 75 75 VAL CG2 C 13 20.1 . . . . . . . 100 VAL CG2 . 17546 1 661 . 1 1 75 75 VAL N N 15 107.978 . . . . . . . 100 VAL N . 17546 1 662 . 1 1 76 76 ARG H H 1 8.414 . . . . . . . 101 ARG H . 17546 1 663 . 1 1 76 76 ARG HA H 1 5.334 . . . . . . . 101 ARG HA . 17546 1 664 . 1 1 76 76 ARG C C 13 177.183 . . . . . . . 101 ARG C . 17546 1 665 . 1 1 76 76 ARG CA C 13 56.026 . . . . . . . 101 ARG CA . 17546 1 666 . 1 1 76 76 ARG CB C 13 26.707 . . . . . . . 101 ARG CB . 17546 1 667 . 1 1 76 76 ARG N N 15 116.572 . . . . . . . 101 ARG N . 17546 1 668 . 1 1 77 77 VAL H H 1 8.776 . . . . . . . 102 VAL H . 17546 1 669 . 1 1 77 77 VAL HA H 1 4.71 . . . . . . . 102 VAL HA . 17546 1 670 . 1 1 77 77 VAL HB H 1 1.96 . . . . . . . 102 VAL HB . 17546 1 671 . 1 1 77 77 VAL HG11 H 1 0.84 . . . . . . . 102 VAL HG1 . 17546 1 672 . 1 1 77 77 VAL HG12 H 1 0.84 . . . . . . . 102 VAL HG1 . 17546 1 673 . 1 1 77 77 VAL HG13 H 1 0.84 . . . . . . . 102 VAL HG1 . 17546 1 674 . 1 1 77 77 VAL HG21 H 1 0.82 . . . . . . . 102 VAL HG2 . 17546 1 675 . 1 1 77 77 VAL HG22 H 1 0.82 . . . . . . . 102 VAL HG2 . 17546 1 676 . 1 1 77 77 VAL HG23 H 1 0.82 . . . . . . . 102 VAL HG2 . 17546 1 677 . 1 1 77 77 VAL C C 13 175.819 . . . . . . . 102 VAL C . 17546 1 678 . 1 1 77 77 VAL CA C 13 61.739 . . . . . . . 102 VAL CA . 17546 1 679 . 1 1 77 77 VAL CB C 13 34.848 . . . . . . . 102 VAL CB . 17546 1 680 . 1 1 77 77 VAL CG1 C 13 21.7 . . . . . . . 102 VAL CG1 . 17546 1 681 . 1 1 77 77 VAL N N 15 121.380 . . . . . . . 102 VAL N . 17546 1 682 . 1 1 78 78 ILE H H 1 9.291 . . . . . . . 103 ILE H . 17546 1 683 . 1 1 78 78 ILE HA H 1 5.380 . . . . . . . 103 ILE HA . 17546 1 684 . 1 1 78 78 ILE HB H 1 1.78 . . . . . . . 103 ILE HB . 17546 1 685 . 1 1 78 78 ILE HG12 H 1 1.51 . . . . . . . 103 ILE HG12 . 17546 1 686 . 1 1 78 78 ILE HG13 H 1 0.77 . . . . . . . 103 ILE HG13 . 17546 1 687 . 1 1 78 78 ILE HG21 H 1 1.05 . . . . . . . 103 ILE HG2 . 17546 1 688 . 1 1 78 78 ILE HG22 H 1 1.05 . . . . . . . 103 ILE HG2 . 17546 1 689 . 1 1 78 78 ILE HG23 H 1 1.05 . . . . . . . 103 ILE HG2 . 17546 1 690 . 1 1 78 78 ILE HD11 H 1 0.94 . . . . . . . 103 ILE HD1 . 17546 1 691 . 1 1 78 78 ILE HD12 H 1 0.94 . . . . . . . 103 ILE HD1 . 17546 1 692 . 1 1 78 78 ILE HD13 H 1 0.94 . . . . . . . 103 ILE HD1 . 17546 1 693 . 1 1 78 78 ILE C C 13 176.095 . . . . . . . 103 ILE C . 17546 1 694 . 1 1 78 78 ILE CA C 13 59.927 . . . . . . . 103 ILE CA . 17546 1 695 . 1 1 78 78 ILE CB C 13 40.881 . . . . . . . 103 ILE CB . 17546 1 696 . 1 1 78 78 ILE CG1 C 13 29.3 . . . . . . . 103 ILE CG1 . 17546 1 697 . 1 1 78 78 ILE CG2 C 13 18.095 . . . . . . . 103 ILE CG2 . 17546 1 698 . 1 1 78 78 ILE CD1 C 13 15.2 . . . . . . . 103 ILE CD1 . 17546 1 699 . 1 1 78 78 ILE N N 15 131.190 . . . . . . . 103 ILE N . 17546 1 700 . 1 1 79 79 VAL H H 1 9.637 . . . . . . . 104 VAL H . 17546 1 701 . 1 1 79 79 VAL HA H 1 4.877 . . . . . . . 104 VAL HA . 17546 1 702 . 1 1 79 79 VAL HB H 1 1.78 . . . . . . . 104 VAL HB . 17546 1 703 . 1 1 79 79 VAL HG11 H 1 1.09 . . . . . . . 104 VAL HG1 . 17546 1 704 . 1 1 79 79 VAL HG12 H 1 1.09 . . . . . . . 104 VAL HG1 . 17546 1 705 . 1 1 79 79 VAL HG13 H 1 1.09 . . . . . . . 104 VAL HG1 . 17546 1 706 . 1 1 79 79 VAL HG21 H 1 0.62 . . . . . . . 104 VAL HG2 . 17546 1 707 . 1 1 79 79 VAL HG22 H 1 0.62 . . . . . . . 104 VAL HG2 . 17546 1 708 . 1 1 79 79 VAL HG23 H 1 0.62 . . . . . . . 104 VAL HG2 . 17546 1 709 . 1 1 79 79 VAL C C 13 175.065 . . . . . . . 104 VAL C . 17546 1 710 . 1 1 79 79 VAL CA C 13 61.418 . . . . . . . 104 VAL CA . 17546 1 711 . 1 1 79 79 VAL CB C 13 34.870 . . . . . . . 104 VAL CB . 17546 1 712 . 1 1 79 79 VAL CG1 C 13 23.3 . . . . . . . 104 VAL CG1 . 17546 1 713 . 1 1 79 79 VAL CG2 C 13 21.4 . . . . . . . 104 VAL CG2 . 17546 1 714 . 1 1 79 79 VAL N N 15 128.432 . . . . . . . 104 VAL N . 17546 1 715 . 1 1 80 80 ASP H H 1 8.545 . . . . . . . 105 ASP H . 17546 1 716 . 1 1 80 80 ASP HA H 1 4.950 . . . . . . . 105 ASP HA . 17546 1 717 . 1 1 80 80 ASP HB2 H 1 3.03 . . . . . . . 105 ASP HB2 . 17546 1 718 . 1 1 80 80 ASP HB3 H 1 2.51 . . . . . . . 105 ASP HB3 . 17546 1 719 . 1 1 80 80 ASP C C 13 176.413 . . . . . . . 105 ASP C . 17546 1 720 . 1 1 80 80 ASP CA C 13 52.702 . . . . . . . 105 ASP CA . 17546 1 721 . 1 1 80 80 ASP CB C 13 42.089 . . . . . . . 105 ASP CB . 17546 1 722 . 1 1 80 80 ASP N N 15 128.919 . . . . . . . 105 ASP N . 17546 1 723 . 1 1 81 81 VAL H H 1 7.915 . . . . . . . 106 VAL H . 17546 1 724 . 1 1 81 81 VAL HA H 1 3.15 . . . . . . . 106 VAL HA . 17546 1 725 . 1 1 81 81 VAL HB H 1 1.967 . . . . . . . 106 VAL HB . 17546 1 726 . 1 1 81 81 VAL HG11 H 1 0.84 . . . . . . . 106 VAL HG1 . 17546 1 727 . 1 1 81 81 VAL HG12 H 1 0.84 . . . . . . . 106 VAL HG1 . 17546 1 728 . 1 1 81 81 VAL HG13 H 1 0.84 . . . . . . . 106 VAL HG1 . 17546 1 729 . 1 1 81 81 VAL HG21 H 1 0.78 . . . . . . . 106 VAL HG2 . 17546 1 730 . 1 1 81 81 VAL HG22 H 1 0.78 . . . . . . . 106 VAL HG2 . 17546 1 731 . 1 1 81 81 VAL HG23 H 1 0.78 . . . . . . . 106 VAL HG2 . 17546 1 732 . 1 1 81 81 VAL C C 13 177.274 . . . . . . . 106 VAL C . 17546 1 733 . 1 1 81 81 VAL CA C 13 67.173 . . . . . . . 106 VAL CA . 17546 1 734 . 1 1 81 81 VAL CB C 13 32.694 . . . . . . . 106 VAL CB . 17546 1 735 . 1 1 81 81 VAL CG1 C 13 21.4 . . . . . . . 106 VAL CG1 . 17546 1 736 . 1 1 81 81 VAL CG2 C 13 23.6 . . . . . . . 106 VAL CG2 . 17546 1 737 . 1 1 81 81 VAL N N 15 124.337 . . . . . . . 106 VAL N . 17546 1 738 . 1 1 82 82 GLU H H 1 8.533 . . . . . . . 107 GLU H . 17546 1 739 . 1 1 82 82 GLU HA H 1 4.010 . . . . . . . 107 GLU HA . 17546 1 740 . 1 1 82 82 GLU HB2 H 1 2.043 . . . . . . . 107 GLU HB2 . 17546 1 741 . 1 1 82 82 GLU HB3 H 1 2.297 . . . . . . . 107 GLU HB3 . 17546 1 742 . 1 1 82 82 GLU HG2 H 1 2.297 . . . . . . . 107 GLU HG2 . 17546 1 743 . 1 1 82 82 GLU HG3 H 1 2.221 . . . . . . . 107 GLU HG3 . 17546 1 744 . 1 1 82 82 GLU C C 13 178.426 . . . . . . . 107 GLU C . 17546 1 745 . 1 1 82 82 GLU CA C 13 59.222 . . . . . . . 107 GLU CA . 17546 1 746 . 1 1 82 82 GLU CB C 13 29.242 . . . . . . . 107 GLU CB . 17546 1 747 . 1 1 82 82 GLU CG C 13 36.207 . . . . . . . 107 GLU CG . 17546 1 748 . 1 1 82 82 GLU N N 15 120.478 . . . . . . . 107 GLU N . 17546 1 749 . 1 1 83 83 ALA H H 1 7.901 . . . . . . . 108 ALA H . 17546 1 750 . 1 1 83 83 ALA HA H 1 4.20 . . . . . . . 108 ALA HA . 17546 1 751 . 1 1 83 83 ALA HB1 H 1 1.25 . . . . . . . 108 ALA HB . 17546 1 752 . 1 1 83 83 ALA HB2 H 1 1.25 . . . . . . . 108 ALA HB . 17546 1 753 . 1 1 83 83 ALA HB3 H 1 1.25 . . . . . . . 108 ALA HB . 17546 1 754 . 1 1 83 83 ALA C C 13 176.434 . . . . . . . 108 ALA C . 17546 1 755 . 1 1 83 83 ALA CA C 13 51.866 . . . . . . . 108 ALA CA . 17546 1 756 . 1 1 83 83 ALA CB C 13 18.750 . . . . . . . 108 ALA CB . 17546 1 757 . 1 1 83 83 ALA N N 15 119.431 . . . . . . . 108 ALA N . 17546 1 758 . 1 1 84 84 GLN H H 1 7.873 . . . . . . . 109 GLN H . 17546 1 759 . 1 1 84 84 GLN HA H 1 3.381 . . . . . . . 109 GLN HA . 17546 1 760 . 1 1 84 84 GLN HG2 H 1 2.264 . . . . . . . 109 GLN HG2 . 17546 1 761 . 1 1 84 84 GLN C C 13 175.190 . . . . . . . 109 GLN C . 17546 1 762 . 1 1 84 84 GLN CA C 13 56.731 . . . . . . . 109 GLN CA . 17546 1 763 . 1 1 84 84 GLN CB C 13 25.903 . . . . . . . 109 GLN CB . 17546 1 764 . 1 1 84 84 GLN N N 15 115.320 . . . . . . . 109 GLN N . 17546 1 765 . 1 1 85 85 SER H H 1 8.164 . . . . . . . 110 SER H . 17546 1 766 . 1 1 85 85 SER HA H 1 4.97 . . . . . . . 110 SER HA . 17546 1 767 . 1 1 85 85 SER HB2 H 1 3.51 . . . . . . . 110 SER HB2 . 17546 1 768 . 1 1 85 85 SER HB3 H 1 3.60 . . . . . . . 110 SER HB3 . 17546 1 769 . 1 1 85 85 SER C C 13 174.692 . . . . . . . 110 SER C . 17546 1 770 . 1 1 85 85 SER CA C 13 56.908 . . . . . . . 110 SER CA . 17546 1 771 . 1 1 85 85 SER CB C 13 66.513 . . . . . . . 110 SER CB . 17546 1 772 . 1 1 85 85 SER N N 15 112.422 . . . . . . . 110 SER N . 17546 1 773 . 1 1 86 86 ARG H H 1 9.133 . . . . . . . 111 ARG H . 17546 1 774 . 1 1 86 86 ARG HA H 1 5.404 . . . . . . . 111 ARG HA . 17546 1 775 . 1 1 86 86 ARG C C 13 175.423 . . . . . . . 111 ARG C . 17546 1 776 . 1 1 86 86 ARG CA C 13 53.543 . . . . . . . 111 ARG CA . 17546 1 777 . 1 1 86 86 ARG CB C 13 33.584 . . . . . . . 111 ARG CB . 17546 1 778 . 1 1 86 86 ARG N N 15 126.065 . . . . . . . 111 ARG N . 17546 1 779 . 1 1 87 87 SER H H 1 9.625 . . . . . . . 112 SER H . 17546 1 780 . 1 1 87 87 SER HA H 1 5.83 . . . . . . . 112 SER HA . 17546 1 781 . 1 1 87 87 SER HB2 H 1 3.94 . . . . . . . 112 SER HB2 . 17546 1 782 . 1 1 87 87 SER HB3 H 1 3.81 . . . . . . . 112 SER HB3 . 17546 1 783 . 1 1 87 87 SER C C 13 173.801 . . . . . . . 112 SER C . 17546 1 784 . 1 1 87 87 SER CA C 13 57.026 . . . . . . . 112 SER CA . 17546 1 785 . 1 1 87 87 SER CB C 13 65.479 . . . . . . . 112 SER CB . 17546 1 786 . 1 1 87 87 SER N N 15 123.168 . . . . . . . 112 SER N . 17546 1 787 . 1 1 88 88 ILE H H 1 8.596 . . . . . . . 113 ILE H . 17546 1 788 . 1 1 88 88 ILE HA H 1 5.81 . . . . . . . 113 ILE HA . 17546 1 789 . 1 1 88 88 ILE HB H 1 1.65 . . . . . . . 113 ILE HB . 17546 1 790 . 1 1 88 88 ILE HG12 H 1 1.47 . . . . . . . 113 ILE HG12 . 17546 1 791 . 1 1 88 88 ILE HG13 H 1 1.22 . . . . . . . 113 ILE HG13 . 17546 1 792 . 1 1 88 88 ILE HG21 H 1 0.82 . . . . . . . 113 ILE HG2 . 17546 1 793 . 1 1 88 88 ILE HG22 H 1 0.82 . . . . . . . 113 ILE HG2 . 17546 1 794 . 1 1 88 88 ILE HG23 H 1 0.82 . . . . . . . 113 ILE HG2 . 17546 1 795 . 1 1 88 88 ILE HD11 H 1 0.67 . . . . . . . 113 ILE HD1 . 17546 1 796 . 1 1 88 88 ILE HD12 H 1 0.67 . . . . . . . 113 ILE HD1 . 17546 1 797 . 1 1 88 88 ILE HD13 H 1 0.67 . . . . . . . 113 ILE HD1 . 17546 1 798 . 1 1 88 88 ILE C C 13 174.613 . . . . . . . 113 ILE C . 17546 1 799 . 1 1 88 88 ILE CA C 13 58.725 . . . . . . . 113 ILE CA . 17546 1 800 . 1 1 88 88 ILE CB C 13 43.070 . . . . . . . 113 ILE CB . 17546 1 801 . 1 1 88 88 ILE CG1 C 13 33.6 . . . . . . . 113 ILE CG1 . 17546 1 802 . 1 1 88 88 ILE CG2 C 13 18.753 . . . . . . . 113 ILE CG2 . 17546 1 803 . 1 1 88 88 ILE CD1 C 13 14.84 . . . . . . . 113 ILE CD1 . 17546 1 804 . 1 1 88 88 ILE N N 15 117.091 . . . . . . . 113 ILE N . 17546 1 805 . 1 1 89 89 SER H H 1 7.889 . . . . . . . 114 SER H . 17546 1 806 . 1 1 89 89 SER HA H 1 4.019 . . . . . . . 114 SER HA . 17546 1 807 . 1 1 89 89 SER C C 13 173.234 . . . . . . . 114 SER C . 17546 1 808 . 1 1 89 89 SER CA C 13 57.378 . . . . . . . 114 SER CA . 17546 1 809 . 1 1 89 89 SER CB C 13 65.585 . . . . . . . 114 SER CB . 17546 1 810 . 1 1 89 89 SER N N 15 110.222 . . . . . . . 114 SER N . 17546 1 811 . 1 1 90 90 GLN H H 1 8.966 . . . . . . . 115 GLN H . 17546 1 812 . 1 1 90 90 GLN CA C 13 54.067 . . . . . . . 115 GLN CA . 17546 1 813 . 1 1 90 90 GLN CB C 13 30.620 . . . . . . . 115 GLN CB . 17546 1 814 . 1 1 90 90 GLN N N 15 120.288 . . . . . . . 115 GLN N . 17546 1 815 . 1 1 91 91 TRP C C 13 176.238 . . . . . . . 119 TRP C . 17546 1 816 . 1 1 92 92 SER C C 13 179.005 . . . . . . . 122 SER C . 17546 1 817 . 1 1 92 92 SER CA C 13 61.388 . . . . . . . 122 SER CA . 17546 1 818 . 1 1 93 93 ALA H H 1 7.990 . . . . . . . 123 ALA H . 17546 1 819 . 1 1 93 93 ALA HA H 1 4.261 . . . . . . . 123 ALA HA . 17546 1 820 . 1 1 93 93 ALA HB1 H 1 1.326 . . . . . . . 123 ALA HB . 17546 1 821 . 1 1 93 93 ALA HB2 H 1 1.326 . . . . . . . 123 ALA HB . 17546 1 822 . 1 1 93 93 ALA HB3 H 1 1.326 . . . . . . . 123 ALA HB . 17546 1 823 . 1 1 93 93 ALA C C 13 176.944 . . . . . . . 123 ALA C . 17546 1 824 . 1 1 93 93 ALA CA C 13 54.816 . . . . . . . 123 ALA CA . 17546 1 825 . 1 1 93 93 ALA CB C 13 18.955 . . . . . . . 123 ALA CB . 17546 1 826 . 1 1 93 93 ALA N N 15 119.257 . . . . . . . 123 ALA N . 17546 1 827 . 1 1 94 94 ARG H H 1 7.990 . . . . . . . 124 ARG H . 17546 1 828 . 1 1 94 94 ARG HA H 1 4.278 . . . . . . . 124 ARG HA . 17546 1 829 . 1 1 94 94 ARG HB2 H 1 1.565 . . . . . . . 124 ARG HB2 . 17546 1 830 . 1 1 94 94 ARG HB3 H 1 1.734 . . . . . . . 124 ARG HB3 . 17546 1 831 . 1 1 94 94 ARG HG2 H 1 1.471 . . . . . . . 124 ARG HG2 . 17546 1 832 . 1 1 94 94 ARG HD2 H 1 2.920 . . . . . . . 124 ARG HD2 . 17546 1 833 . 1 1 94 94 ARG HD3 H 1 2.86 . . . . . . . 124 ARG HD3 . 17546 1 834 . 1 1 94 94 ARG C C 13 176.296 . . . . . . . 124 ARG C . 17546 1 835 . 1 1 94 94 ARG CA C 13 55.812 . . . . . . . 124 ARG CA . 17546 1 836 . 1 1 94 94 ARG CB C 13 31.270 . . . . . . . 124 ARG CB . 17546 1 837 . 1 1 94 94 ARG CG C 13 27.098 . . . . . . . 124 ARG CG . 17546 1 838 . 1 1 94 94 ARG CD C 13 43.2 . . . . . . . 124 ARG CD . 17546 1 839 . 1 1 94 94 ARG N N 15 120.101 . . . . . . . 124 ARG N . 17546 1 840 . 1 1 95 95 VAL H H 1 7.948 . . . . . . . 125 VAL H . 17546 1 841 . 1 1 95 95 VAL CA C 13 60.043 . . . . . . . 125 VAL CA . 17546 1 842 . 1 1 95 95 VAL CB C 13 32.616 . . . . . . . 125 VAL CB . 17546 1 843 . 1 1 95 95 VAL N N 15 121.410 . . . . . . . 125 VAL N . 17546 1 844 . 1 1 96 96 GLU CA C 13 60.04 . . . . . . . 129 GLU CA . 17546 1 845 . 1 1 96 96 GLU CB C 13 32.62 . . . . . . . 129 GLU CB . 17546 1 846 . 1 1 97 97 PRO HA H 1 4.440 . . . . . . . 130 PRO HA . 17546 1 847 . 1 1 97 97 PRO C C 13 177.063 . . . . . . . 130 PRO C . 17546 1 848 . 1 1 97 97 PRO CA C 13 62.417 . . . . . . . 130 PRO CA . 17546 1 849 . 1 1 97 97 PRO CB C 13 32.278 . . . . . . . 130 PRO CB . 17546 1 850 . 1 1 97 97 PRO CG C 13 27.544 . . . . . . . 130 PRO CG . 17546 1 851 . 1 1 98 98 LEU H H 1 8.542 . . . . . . . 131 LEU H . 17546 1 852 . 1 1 98 98 LEU HA H 1 4.10 . . . . . . . 131 LEU HA . 17546 1 853 . 1 1 98 98 LEU HB2 H 1 1.79 . . . . . . . 131 LEU HB2 . 17546 1 854 . 1 1 98 98 LEU HG H 1 1.85 . . . . . . . 131 LEU HG . 17546 1 855 . 1 1 98 98 LEU HD11 H 1 1.02 . . . . . . . 131 LEU HD1 . 17546 1 856 . 1 1 98 98 LEU HD12 H 1 1.02 . . . . . . . 131 LEU HD1 . 17546 1 857 . 1 1 98 98 LEU HD13 H 1 1.02 . . . . . . . 131 LEU HD1 . 17546 1 858 . 1 1 98 98 LEU HD21 H 1 0.89 . . . . . . . 131 LEU HD2 . 17546 1 859 . 1 1 98 98 LEU HD22 H 1 0.89 . . . . . . . 131 LEU HD2 . 17546 1 860 . 1 1 98 98 LEU HD23 H 1 0.89 . . . . . . . 131 LEU HD2 . 17546 1 861 . 1 1 98 98 LEU C C 13 177.152 . . . . . . . 131 LEU C . 17546 1 862 . 1 1 98 98 LEU CA C 13 57.239 . . . . . . . 131 LEU CA . 17546 1 863 . 1 1 98 98 LEU CB C 13 41.153 . . . . . . . 131 LEU CB . 17546 1 864 . 1 1 98 98 LEU CG C 13 27.3 . . . . . . . 131 LEU CG . 17546 1 865 . 1 1 98 98 LEU CD1 C 13 25.364 . . . . . . . 131 LEU CD1 . 17546 1 866 . 1 1 98 98 LEU CD2 C 13 22.599 . . . . . . . 131 LEU CD2 . 17546 1 867 . 1 1 98 98 LEU N N 15 121.804 . . . . . . . 131 LEU N . 17546 1 868 . 1 1 99 99 GLN H H 1 7.574 . . . . . . . 132 GLN H . 17546 1 869 . 1 1 99 99 GLN HA H 1 5.54 . . . . . . . 132 GLN HA . 17546 1 870 . 1 1 99 99 GLN HB2 H 1 1.96 . . . . . . . 132 GLN HB2 . 17546 1 871 . 1 1 99 99 GLN HG2 H 1 2.29 . . . . . . . 132 GLN HG2 . 17546 1 872 . 1 1 99 99 GLN HG3 H 1 2.27 . . . . . . . 132 GLN HG3 . 17546 1 873 . 1 1 99 99 GLN HE21 H 1 7.45 . . . . . . . 132 GLN HE21 . 17546 1 874 . 1 1 99 99 GLN HE22 H 1 6.81 . . . . . . . 132 GLN HE22 . 17546 1 875 . 1 1 99 99 GLN C C 13 174.589 . . . . . . . 132 GLN C . 17546 1 876 . 1 1 99 99 GLN CA C 13 54.592 . . . . . . . 132 GLN CA . 17546 1 877 . 1 1 99 99 GLN CB C 13 32.085 . . . . . . . 132 GLN CB . 17546 1 878 . 1 1 99 99 GLN CG C 13 34.2 . . . . . . . 132 GLN CG . 17546 1 879 . 1 1 99 99 GLN N N 15 115.305 . . . . . . . 132 GLN N . 17546 1 880 . 1 1 99 99 GLN NE2 N 15 111.42 . . . . . . . 132 GLN NE2 . 17546 1 881 . 1 1 100 100 ARG H H 1 8.460 . . . . . . . 133 ARG H . 17546 1 882 . 1 1 100 100 ARG CA C 13 55.066 . . . . . . . 133 ARG CA . 17546 1 883 . 1 1 100 100 ARG CB C 13 28.593 . . . . . . . 133 ARG CB . 17546 1 884 . 1 1 100 100 ARG N N 15 119.661 . . . . . . . 133 ARG N . 17546 1 885 . 1 1 101 101 PRO HA H 1 5.098 . . . . . . . 134 PRO HA . 17546 1 886 . 1 1 101 101 PRO HB2 H 1 2.57 . . . . . . . 134 PRO HB2 . 17546 1 887 . 1 1 101 101 PRO HB3 H 1 1.78 . . . . . . . 134 PRO HB3 . 17546 1 888 . 1 1 101 101 PRO HD2 H 1 4.59 . . . . . . . 134 PRO HD2 . 17546 1 889 . 1 1 101 101 PRO C C 13 177.271 . . . . . . . 134 PRO C . 17546 1 890 . 1 1 101 101 PRO CA C 13 62.638 . . . . . . . 134 PRO CA . 17546 1 891 . 1 1 101 101 PRO CB C 13 32.483 . . . . . . . 134 PRO CB . 17546 1 892 . 1 1 101 101 PRO CG C 13 28.117 . . . . . . . 134 PRO CG . 17546 1 893 . 1 1 101 101 PRO CD C 13 52.0 . . . . . . . 134 PRO CD . 17546 1 894 . 1 1 102 102 VAL H H 1 7.658 . . . . . . . 135 VAL H . 17546 1 895 . 1 1 102 102 VAL HA H 1 3.89 . . . . . . . 135 VAL HA . 17546 1 896 . 1 1 102 102 VAL HB H 1 1.33 . . . . . . . 135 VAL HB . 17546 1 897 . 1 1 102 102 VAL HG11 H 1 1.047 . . . . . . . 135 VAL HG1 . 17546 1 898 . 1 1 102 102 VAL HG12 H 1 1.047 . . . . . . . 135 VAL HG1 . 17546 1 899 . 1 1 102 102 VAL HG13 H 1 1.047 . . . . . . . 135 VAL HG1 . 17546 1 900 . 1 1 102 102 VAL HG21 H 1 0.977 . . . . . . . 135 VAL HG2 . 17546 1 901 . 1 1 102 102 VAL HG22 H 1 0.977 . . . . . . . 135 VAL HG2 . 17546 1 902 . 1 1 102 102 VAL HG23 H 1 0.977 . . . . . . . 135 VAL HG2 . 17546 1 903 . 1 1 102 102 VAL C C 13 174.227 . . . . . . . 135 VAL C . 17546 1 904 . 1 1 102 102 VAL CA C 13 60.410 . . . . . . . 135 VAL CA . 17546 1 905 . 1 1 102 102 VAL CB C 13 33.630 . . . . . . . 135 VAL CB . 17546 1 906 . 1 1 102 102 VAL CG1 C 13 24.977 . . . . . . . 135 VAL CG1 . 17546 1 907 . 1 1 102 102 VAL CG2 C 13 22.800 . . . . . . . 135 VAL CG2 . 17546 1 908 . 1 1 102 102 VAL N N 15 124.938 . . . . . . . 135 VAL N . 17546 1 909 . 1 1 103 103 ASP H H 1 9.338 . . . . . . . 136 ASP H . 17546 1 910 . 1 1 103 103 ASP HA H 1 4.73 . . . . . . . 136 ASP HA . 17546 1 911 . 1 1 103 103 ASP HB2 H 1 2.88 . . . . . . . 136 ASP HB2 . 17546 1 912 . 1 1 103 103 ASP HB3 H 1 2.47 . . . . . . . 136 ASP HB3 . 17546 1 913 . 1 1 103 103 ASP CA C 13 53.818 . . . . . . . 136 ASP CA . 17546 1 914 . 1 1 103 103 ASP N N 15 128.979 . . . . . . . 136 ASP N . 17546 1 915 . 1 1 104 104 PRO HA H 1 4.112 . . . . . . . 137 PRO HA . 17546 1 916 . 1 1 104 104 PRO HB2 H 1 2.42 . . . . . . . 137 PRO HB2 . 17546 1 917 . 1 1 104 104 PRO HB3 H 1 1.98 . . . . . . . 137 PRO HB3 . 17546 1 918 . 1 1 104 104 PRO HG2 H 1 2.12 . . . . . . . 137 PRO HG2 . 17546 1 919 . 1 1 104 104 PRO HD2 H 1 4.02 . . . . . . . 137 PRO HD2 . 17546 1 920 . 1 1 104 104 PRO HD3 H 1 3.70 . . . . . . . 137 PRO HD3 . 17546 1 921 . 1 1 104 104 PRO C C 13 178.188 . . . . . . . 137 PRO C . 17546 1 922 . 1 1 104 104 PRO CA C 13 65.516 . . . . . . . 137 PRO CA . 17546 1 923 . 1 1 104 104 PRO CB C 13 32.612 . . . . . . . 137 PRO CB . 17546 1 924 . 1 1 104 104 PRO CG C 13 27.542 . . . . . . . 137 PRO CG . 17546 1 925 . 1 1 104 104 PRO CD C 13 51.6 . . . . . . . 137 PRO CD . 17546 1 926 . 1 1 105 105 CYC C C 13 177.356 . . . . . . . 138 CYC C . 17546 1 927 . 1 1 105 105 CYC CA C 13 58.566 . . . . . . . 138 CYC CA . 17546 1 928 . 1 1 105 105 CYC CB C 13 35.352 . . . . . . . 138 CYC CB . 17546 1 929 . 1 1 105 105 CYC H H 1 9.261 . . . . . . . 138 CYC H . 17546 1 930 . 1 1 105 105 CYC HA H 1 4.18 . . . . . . . 138 CYC HA . 17546 1 931 . 1 1 105 105 CYC HB2 H 1 3.397 . . . . . . . 138 CYC HB2 . 17546 1 932 . 1 1 105 105 CYC HB3 H 1 2.84 . . . . . . . 138 CYC HB3 . 17546 1 933 . 1 1 105 105 CYC N N 15 117.937 . . . . . . . 138 CYC N . 17546 1 934 . 1 1 106 106 HIS H H 1 7.373 . . . . . . . 139 HIS H . 17546 1 935 . 1 1 106 106 HIS HA H 1 4.588 . . . . . . . 139 HIS HA . 17546 1 936 . 1 1 106 106 HIS HB2 H 1 2.72 . . . . . . . 139 HIS HB2 . 17546 1 937 . 1 1 106 106 HIS HB3 H 1 1.66 . . . . . . . 139 HIS HB3 . 17546 1 938 . 1 1 106 106 HIS HD2 H 1 6.59 . . . . . . . 139 HIS HD2 . 17546 1 939 . 1 1 106 106 HIS C C 13 176.287 . . . . . . . 139 HIS C . 17546 1 940 . 1 1 106 106 HIS CA C 13 57.093 . . . . . . . 139 HIS CA . 17546 1 941 . 1 1 106 106 HIS CB C 13 32.5 . . . . . . . 139 HIS CB . 17546 1 942 . 1 1 106 106 HIS CD2 C 13 119.0 . . . . . . . 139 HIS CD2 . 17546 1 943 . 1 1 106 106 HIS N N 15 117.702 . . . . . . . 139 HIS N . 17546 1 944 . 1 1 107 107 VAL H H 1 7.414 . . . . . . . 140 VAL H . 17546 1 945 . 1 1 107 107 VAL HA H 1 3.140 . . . . . . . 140 VAL HA . 17546 1 946 . 1 1 107 107 VAL HG11 H 1 0.804 . . . . . . . 140 VAL HG1 . 17546 1 947 . 1 1 107 107 VAL HG12 H 1 0.804 . . . . . . . 140 VAL HG1 . 17546 1 948 . 1 1 107 107 VAL HG13 H 1 0.804 . . . . . . . 140 VAL HG1 . 17546 1 949 . 1 1 107 107 VAL C C 13 176.965 . . . . . . . 140 VAL C . 17546 1 950 . 1 1 107 107 VAL CA C 13 67.554 . . . . . . . 140 VAL CA . 17546 1 951 . 1 1 107 107 VAL CB C 13 31.653 . . . . . . . 140 VAL CB . 17546 1 952 . 1 1 107 107 VAL CG1 C 13 21.248 . . . . . . . 140 VAL CG1 . 17546 1 953 . 1 1 107 107 VAL N N 15 118.374 . . . . . . . 140 VAL N . 17546 1 954 . 1 1 108 108 HIS H H 1 7.791 . . . . . . . 141 HIS H . 17546 1 955 . 1 1 108 108 HIS HB2 H 1 3.125 . . . . . . . 141 HIS HB2 . 17546 1 956 . 1 1 108 108 HIS HD2 H 1 7.00 . . . . . . . 141 HIS HD2 . 17546 1 957 . 1 1 108 108 HIS HE1 H 1 6.97 . . . . . . . 141 HIS HE1 . 17546 1 958 . 1 1 108 108 HIS C C 13 177.711 . . . . . . . 141 HIS C . 17546 1 959 . 1 1 108 108 HIS CA C 13 60.097 . . . . . . . 141 HIS CA . 17546 1 960 . 1 1 108 108 HIS CB C 13 30.256 . . . . . . . 141 HIS CB . 17546 1 961 . 1 1 108 108 HIS N N 15 117.380 . . . . . . . 141 HIS N . 17546 1 962 . 1 1 109 109 TYR H H 1 8.120 . . . . . . . 142 TYR H . 17546 1 963 . 1 1 109 109 TYR HA H 1 3.936 . . . . . . . 142 TYR HA . 17546 1 964 . 1 1 109 109 TYR HB2 H 1 3.31 . . . . . . . 142 TYR HB2 . 17546 1 965 . 1 1 109 109 TYR HB3 H 1 3.16 . . . . . . . 142 TYR HB3 . 17546 1 966 . 1 1 109 109 TYR HD1 H 1 6.82 . . . . . . . 142 TYR HD1 . 17546 1 967 . 1 1 109 109 TYR HE1 H 1 6.53 . . . . . . . 142 TYR HE1 . 17546 1 968 . 1 1 109 109 TYR C C 13 178.204 . . . . . . . 142 TYR C . 17546 1 969 . 1 1 109 109 TYR CA C 13 61.511 . . . . . . . 142 TYR CA . 17546 1 970 . 1 1 109 109 TYR CB C 13 39.487 . . . . . . . 142 TYR CB . 17546 1 971 . 1 1 109 109 TYR CD1 C 13 133.6 . . . . . . . 142 TYR CD1 . 17546 1 972 . 1 1 109 109 TYR CE1 C 13 119.7 . . . . . . . 142 TYR CE1 . 17546 1 973 . 1 1 109 109 TYR N N 15 122.628 . . . . . . . 142 TYR N . 17546 1 974 . 1 1 110 110 LEU H H 1 7.771 . . . . . . . 143 LEU H . 17546 1 975 . 1 1 110 110 LEU HA H 1 3.735 . . . . . . . 143 LEU HA . 17546 1 976 . 1 1 110 110 LEU HB2 H 1 1.46 . . . . . . . 143 LEU HB2 . 17546 1 977 . 1 1 110 110 LEU HB3 H 1 0.84 . . . . . . . 143 LEU HB3 . 17546 1 978 . 1 1 110 110 LEU HG H 1 1.12 . . . . . . . 143 LEU HG . 17546 1 979 . 1 1 110 110 LEU HD11 H 1 0.23 . . . . . . . 143 LEU HD1 . 17546 1 980 . 1 1 110 110 LEU HD12 H 1 0.23 . . . . . . . 143 LEU HD1 . 17546 1 981 . 1 1 110 110 LEU HD13 H 1 0.23 . . . . . . . 143 LEU HD1 . 17546 1 982 . 1 1 110 110 LEU HD21 H 1 0.43 . . . . . . . 143 LEU HD2 . 17546 1 983 . 1 1 110 110 LEU HD22 H 1 0.43 . . . . . . . 143 LEU HD2 . 17546 1 984 . 1 1 110 110 LEU HD23 H 1 0.43 . . . . . . . 143 LEU HD2 . 17546 1 985 . 1 1 110 110 LEU C C 13 179.636 . . . . . . . 143 LEU C . 17546 1 986 . 1 1 110 110 LEU CA C 13 57.304 . . . . . . . 143 LEU CA . 17546 1 987 . 1 1 110 110 LEU CB C 13 41.634 . . . . . . . 143 LEU CB . 17546 1 988 . 1 1 110 110 LEU CG C 13 26.8 . . . . . . . 143 LEU CG . 17546 1 989 . 1 1 110 110 LEU CD1 C 13 26.1 . . . . . . . 143 LEU CD1 . 17546 1 990 . 1 1 110 110 LEU CD2 C 13 20.8 . . . . . . . 143 LEU CD2 . 17546 1 991 . 1 1 110 110 LEU N N 15 118.050 . . . . . . . 143 LEU N . 17546 1 992 . 1 1 111 111 LYS H H 1 8.665 . . . . . . . 144 LYS H . 17546 1 993 . 1 1 111 111 LYS HA H 1 3.903 . . . . . . . 144 LYS HA . 17546 1 994 . 1 1 111 111 LYS HB2 H 1 1.718 . . . . . . . 144 LYS HB2 . 17546 1 995 . 1 1 111 111 LYS HG2 H 1 1.283 . . . . . . . 144 LYS HG2 . 17546 1 996 . 1 1 111 111 LYS HG3 H 1 1.43 . . . . . . . 144 LYS HG3 . 17546 1 997 . 1 1 111 111 LYS HD2 H 1 1.523 . . . . . . . 144 LYS HD2 . 17546 1 998 . 1 1 111 111 LYS HE2 H 1 2.795 . . . . . . . 144 LYS HE2 . 17546 1 999 . 1 1 111 111 LYS C C 13 181.884 . . . . . . . 144 LYS C . 17546 1 1000 . 1 1 111 111 LYS CA C 13 60.195 . . . . . . . 144 LYS CA . 17546 1 1001 . 1 1 111 111 LYS CB C 13 32.310 . . . . . . . 144 LYS CB . 17546 1 1002 . 1 1 111 111 LYS CG C 13 25.534 . . . . . . . 144 LYS CG . 17546 1 1003 . 1 1 111 111 LYS CD C 13 29.372 . . . . . . . 144 LYS CD . 17546 1 1004 . 1 1 111 111 LYS N N 15 121.247 . . . . . . . 144 LYS N . 17546 1 1005 . 1 1 112 112 SER H H 1 8.447 . . . . . . . 145 SER H . 17546 1 1006 . 1 1 112 112 SER HA H 1 4.070 . . . . . . . 145 SER HA . 17546 1 1007 . 1 1 112 112 SER HB2 H 1 3.80 . . . . . . . 145 SER HB2 . 17546 1 1008 . 1 1 112 112 SER HB3 H 1 3.68 . . . . . . . 145 SER HB3 . 17546 1 1009 . 1 1 112 112 SER C C 13 174.977 . . . . . . . 145 SER C . 17546 1 1010 . 1 1 112 112 SER CA C 13 61.6 . . . . . . . 145 SER CA . 17546 1 1011 . 1 1 112 112 SER CB C 13 62.6 . . . . . . . 145 SER CB . 17546 1 1012 . 1 1 112 112 SER N N 15 116.491 . . . . . . . 145 SER N . 17546 1 1013 . 1 1 113 113 MET H H 1 7.037 . . . . . . . 146 MET H . 17546 1 1014 . 1 1 113 113 MET HA H 1 4.20 . . . . . . . 146 MET HA . 17546 1 1015 . 1 1 113 113 MET HB2 H 1 1.98 . . . . . . . 146 MET HB2 . 17546 1 1016 . 1 1 113 113 MET HG2 H 1 2.41 . . . . . . . 146 MET HG2 . 17546 1 1017 . 1 1 113 113 MET HG3 H 1 2.242 . . . . . . . 146 MET HG3 . 17546 1 1018 . 1 1 113 113 MET C C 13 176.478 . . . . . . . 146 MET C . 17546 1 1019 . 1 1 113 113 MET CA C 13 56.637 . . . . . . . 146 MET CA . 17546 1 1020 . 1 1 113 113 MET CB C 13 34.907 . . . . . . . 146 MET CB . 17546 1 1021 . 1 1 113 113 MET CG C 13 32.860 . . . . . . . 146 MET CG . 17546 1 1022 . 1 1 113 113 MET N N 15 118.550 . . . . . . . 146 MET N . 17546 1 1023 . 1 1 114 114 GLY H H 1 7.979 . . . . . . . 147 GLY H . 17546 1 1024 . 1 1 114 114 GLY HA2 H 1 3.672 . . . . . . . 147 GLY HA2 . 17546 1 1025 . 1 1 114 114 GLY HA3 H 1 4.008 . . . . . . . 147 GLY HA3 . 17546 1 1026 . 1 1 114 114 GLY C C 13 173.482 . . . . . . . 147 GLY C . 17546 1 1027 . 1 1 114 114 GLY CA C 13 45.328 . . . . . . . 147 GLY CA . 17546 1 1028 . 1 1 114 114 GLY N N 15 108.910 . . . . . . . 147 GLY N . 17546 1 1029 . 1 1 115 115 VAL H H 1 7.436 . . . . . . . 148 VAL H . 17546 1 1030 . 1 1 115 115 VAL HA H 1 3.38 . . . . . . . 148 VAL HA . 17546 1 1031 . 1 1 115 115 VAL HB H 1 1.52 . . . . . . . 148 VAL HB . 17546 1 1032 . 1 1 115 115 VAL HG11 H 1 0.38 . . . . . . . 148 VAL HG1 . 17546 1 1033 . 1 1 115 115 VAL HG12 H 1 0.38 . . . . . . . 148 VAL HG1 . 17546 1 1034 . 1 1 115 115 VAL HG13 H 1 0.38 . . . . . . . 148 VAL HG1 . 17546 1 1035 . 1 1 115 115 VAL C C 13 174.128 . . . . . . . 148 VAL C . 17546 1 1036 . 1 1 115 115 VAL CA C 13 62.958 . . . . . . . 148 VAL CA . 17546 1 1037 . 1 1 115 115 VAL CB C 13 32.926 . . . . . . . 148 VAL CB . 17546 1 1038 . 1 1 115 115 VAL CG1 C 13 23.0 . . . . . . . 148 VAL CG1 . 17546 1 1039 . 1 1 115 115 VAL N N 15 119.776 . . . . . . . 148 VAL N . 17546 1 1040 . 1 1 116 116 ALA H H 1 8.560 . . . . . . . 149 ALA H . 17546 1 1041 . 1 1 116 116 ALA HA H 1 4.47 . . . . . . . 149 ALA HA . 17546 1 1042 . 1 1 116 116 ALA HB1 H 1 1.008 . . . . . . . 149 ALA HB . 17546 1 1043 . 1 1 116 116 ALA HB2 H 1 1.008 . . . . . . . 149 ALA HB . 17546 1 1044 . 1 1 116 116 ALA HB3 H 1 1.008 . . . . . . . 149 ALA HB . 17546 1 1045 . 1 1 116 116 ALA C C 13 177.603 . . . . . . . 149 ALA C . 17546 1 1046 . 1 1 116 116 ALA CA C 13 51.670 . . . . . . . 149 ALA CA . 17546 1 1047 . 1 1 116 116 ALA CB C 13 20.424 . . . . . . . 149 ALA CB . 17546 1 1048 . 1 1 116 116 ALA N N 15 126.401 . . . . . . . 149 ALA N . 17546 1 1049 . 1 1 117 117 SER H H 1 7.770 . . . . . . . 150 SER H . 17546 1 1050 . 1 1 117 117 SER HA H 1 5.29 . . . . . . . 150 SER HA . 17546 1 1051 . 1 1 117 117 SER HB2 H 1 4.06 . . . . . . . 150 SER HB2 . 17546 1 1052 . 1 1 117 117 SER HB3 H 1 3.77 . . . . . . . 150 SER HB3 . 17546 1 1053 . 1 1 117 117 SER C C 13 173.163 . . . . . . . 150 SER C . 17546 1 1054 . 1 1 117 117 SER CA C 13 56.097 . . . . . . . 150 SER CA . 17546 1 1055 . 1 1 117 117 SER CB C 13 64.731 . . . . . . . 150 SER CB . 17546 1 1056 . 1 1 117 117 SER N N 15 114.567 . . . . . . . 150 SER N . 17546 1 1057 . 1 1 118 118 SER H H 1 8.658 . . . . . . . 151 SER H . 17546 1 1058 . 1 1 118 118 SER HA H 1 5.68 . . . . . . . 151 SER HA . 17546 1 1059 . 1 1 118 118 SER HB2 H 1 3.76 . . . . . . . 151 SER HB2 . 17546 1 1060 . 1 1 118 118 SER HB3 H 1 3.28 . . . . . . . 151 SER HB3 . 17546 1 1061 . 1 1 118 118 SER C C 13 171.263 . . . . . . . 151 SER C . 17546 1 1062 . 1 1 118 118 SER CA C 13 56.3 . . . . . . . 151 SER CA . 17546 1 1063 . 1 1 118 118 SER CB C 13 65.589 . . . . . . . 151 SER CB . 17546 1 1064 . 1 1 118 118 SER N N 15 122.341 . . . . . . . 151 SER N . 17546 1 1065 . 1 1 119 119 LEU H H 1 9.057 . . . . . . . 152 LEU H . 17546 1 1066 . 1 1 119 119 LEU HA H 1 5.27 . . . . . . . 152 LEU HA . 17546 1 1067 . 1 1 119 119 LEU HB2 H 1 1.53 . . . . . . . 152 LEU HB2 . 17546 1 1068 . 1 1 119 119 LEU HB3 H 1 1.02 . . . . . . . 152 LEU HB3 . 17546 1 1069 . 1 1 119 119 LEU HG H 1 1.14 . . . . . . . 152 LEU HG . 17546 1 1070 . 1 1 119 119 LEU HD11 H 1 0.30 . . . . . . . 152 LEU HD1 . 17546 1 1071 . 1 1 119 119 LEU HD12 H 1 0.30 . . . . . . . 152 LEU HD1 . 17546 1 1072 . 1 1 119 119 LEU HD13 H 1 0.30 . . . . . . . 152 LEU HD1 . 17546 1 1073 . 1 1 119 119 LEU HD21 H 1 0.39 . . . . . . . 152 LEU HD2 . 17546 1 1074 . 1 1 119 119 LEU HD22 H 1 0.39 . . . . . . . 152 LEU HD2 . 17546 1 1075 . 1 1 119 119 LEU HD23 H 1 0.39 . . . . . . . 152 LEU HD2 . 17546 1 1076 . 1 1 119 119 LEU C C 13 174.384 . . . . . . . 152 LEU C . 17546 1 1077 . 1 1 119 119 LEU CA C 13 54.042 . . . . . . . 152 LEU CA . 17546 1 1078 . 1 1 119 119 LEU CB C 13 43.879 . . . . . . . 152 LEU CB . 17546 1 1079 . 1 1 119 119 LEU CG C 13 28.0 . . . . . . . 152 LEU CG . 17546 1 1080 . 1 1 119 119 LEU CD1 C 13 25.1 . . . . . . . 152 LEU CD1 . 17546 1 1081 . 1 1 119 119 LEU CD2 C 13 23.43 . . . . . . . 152 LEU CD2 . 17546 1 1082 . 1 1 119 119 LEU N N 15 131.142 . . . . . . . 152 LEU N . 17546 1 1083 . 1 1 120 120 VAL H H 1 8.747 . . . . . . . 153 VAL H . 17546 1 1084 . 1 1 120 120 VAL HA H 1 5.068 . . . . . . . 153 VAL HA . 17546 1 1085 . 1 1 120 120 VAL HB H 1 2.06 . . . . . . . 153 VAL HB . 17546 1 1086 . 1 1 120 120 VAL HG11 H 1 0.90 . . . . . . . 153 VAL HG1 . 17546 1 1087 . 1 1 120 120 VAL HG12 H 1 0.90 . . . . . . . 153 VAL HG1 . 17546 1 1088 . 1 1 120 120 VAL HG13 H 1 0.90 . . . . . . . 153 VAL HG1 . 17546 1 1089 . 1 1 120 120 VAL HG21 H 1 1.30 . . . . . . . 153 VAL HG2 . 17546 1 1090 . 1 1 120 120 VAL HG22 H 1 1.30 . . . . . . . 153 VAL HG2 . 17546 1 1091 . 1 1 120 120 VAL HG23 H 1 1.30 . . . . . . . 153 VAL HG2 . 17546 1 1092 . 1 1 120 120 VAL C C 13 173.936 . . . . . . . 153 VAL C . 17546 1 1093 . 1 1 120 120 VAL CA C 13 61.036 . . . . . . . 153 VAL CA . 17546 1 1094 . 1 1 120 120 VAL CB C 13 35.516 . . . . . . . 153 VAL CB . 17546 1 1095 . 1 1 120 120 VAL CG1 C 13 26.184 . . . . . . . 153 VAL CG1 . 17546 1 1096 . 1 1 120 120 VAL CG2 C 13 23.1 . . . . . . . 153 VAL CG2 . 17546 1 1097 . 1 1 120 120 VAL N N 15 125.053 . . . . . . . 153 VAL N . 17546 1 1098 . 1 1 121 121 VAL H H 1 8.985 . . . . . . . 154 VAL H . 17546 1 1099 . 1 1 121 121 VAL HA H 1 4.74 . . . . . . . 154 VAL HA . 17546 1 1100 . 1 1 121 121 VAL HB H 1 1.88 . . . . . . . 154 VAL HB . 17546 1 1101 . 1 1 121 121 VAL HG11 H 1 0.93 . . . . . . . 154 VAL HG1 . 17546 1 1102 . 1 1 121 121 VAL HG12 H 1 0.93 . . . . . . . 154 VAL HG1 . 17546 1 1103 . 1 1 121 121 VAL HG13 H 1 0.93 . . . . . . . 154 VAL HG1 . 17546 1 1104 . 1 1 121 121 VAL HG21 H 1 0.74 . . . . . . . 154 VAL HG2 . 17546 1 1105 . 1 1 121 121 VAL HG22 H 1 0.74 . . . . . . . 154 VAL HG2 . 17546 1 1106 . 1 1 121 121 VAL HG23 H 1 0.74 . . . . . . . 154 VAL HG2 . 17546 1 1107 . 1 1 121 121 VAL CA C 13 58.294 . . . . . . . 154 VAL CA . 17546 1 1108 . 1 1 121 121 VAL CB C 13 36.152 . . . . . . . 154 VAL CB . 17546 1 1109 . 1 1 121 121 VAL CG1 C 13 20.0 . . . . . . . 154 VAL CG1 . 17546 1 1110 . 1 1 121 121 VAL CG2 C 13 20.5 . . . . . . . 154 VAL CG2 . 17546 1 1111 . 1 1 121 121 VAL N N 15 126.490 . . . . . . . 154 VAL N . 17546 1 1112 . 1 1 122 122 PRO HA H 1 4.408 . . . . . . . 155 PRO HA . 17546 1 1113 . 1 1 122 122 PRO HB2 H 1 1.863 . . . . . . . 155 PRO HB2 . 17546 1 1114 . 1 1 122 122 PRO C C 13 173.808 . . . . . . . 155 PRO C . 17546 1 1115 . 1 1 122 122 PRO CA C 13 63.223 . . . . . . . 155 PRO CA . 17546 1 1116 . 1 1 122 122 PRO CB C 13 32.722 . . . . . . . 155 PRO CB . 17546 1 1117 . 1 1 122 122 PRO CG C 13 27.230 . . . . . . . 155 PRO CG . 17546 1 1118 . 1 1 123 123 LEU H H 1 8.324 . . . . . . . 156 LEU H . 17546 1 1119 . 1 1 123 123 LEU HA H 1 4.676 . . . . . . . 156 LEU HA . 17546 1 1120 . 1 1 123 123 LEU HD11 H 1 0.823 . . . . . . . 156 LEU HD1 . 17546 1 1121 . 1 1 123 123 LEU HD12 H 1 0.823 . . . . . . . 156 LEU HD1 . 17546 1 1122 . 1 1 123 123 LEU HD13 H 1 0.823 . . . . . . . 156 LEU HD1 . 17546 1 1123 . 1 1 123 123 LEU C C 13 175.314 . . . . . . . 156 LEU C . 17546 1 1124 . 1 1 123 123 LEU CA C 13 52.768 . . . . . . . 156 LEU CA . 17546 1 1125 . 1 1 123 123 LEU CB C 13 43.432 . . . . . . . 156 LEU CB . 17546 1 1126 . 1 1 123 123 LEU CD1 C 13 23.035 . . . . . . . 156 LEU CD1 . 17546 1 1127 . 1 1 123 123 LEU N N 15 119.029 . . . . . . . 156 LEU N . 17546 1 1128 . 1 1 124 124 MET H H 1 8.609 . . . . . . . 157 MET H . 17546 1 1129 . 1 1 124 124 MET C C 13 175.711 . . . . . . . 157 MET C . 17546 1 1130 . 1 1 124 124 MET CA C 13 52.590 . . . . . . . 157 MET CA . 17546 1 1131 . 1 1 124 124 MET CB C 13 31.975 . . . . . . . 157 MET CB . 17546 1 1132 . 1 1 124 124 MET N N 15 121.890 . . . . . . . 157 MET N . 17546 1 1133 . 1 1 125 125 HIS H H 1 9.039 . . . . . . . 158 HIS H . 17546 1 1134 . 1 1 125 125 HIS HD2 H 1 7.29 . . . . . . . 158 HIS HD2 . 17546 1 1135 . 1 1 125 125 HIS HE1 H 1 7.28 . . . . . . . 158 HIS HE1 . 17546 1 1136 . 1 1 125 125 HIS CA C 13 52.908 . . . . . . . 158 HIS CA . 17546 1 1137 . 1 1 125 125 HIS CB C 13 31.930 . . . . . . . 158 HIS CB . 17546 1 1138 . 1 1 125 125 HIS N N 15 119.531 . . . . . . . 158 HIS N . 17546 1 1139 . 1 1 126 126 HIS C C 13 179.872 . . . . . . . 159 HIS C . 17546 1 1140 . 1 1 127 127 GLN HA H 1 4.395 . . . . . . . 160 GLN HA . 17546 1 1141 . 1 1 127 127 GLN HB2 H 1 2.330 . . . . . . . 160 GLN HB2 . 17546 1 1142 . 1 1 127 127 GLN HE21 H 1 7.59 . . . . . . . 160 GLN HE21 . 17546 1 1143 . 1 1 127 127 GLN HE22 H 1 6.88 . . . . . . . 160 GLN HE22 . 17546 1 1144 . 1 1 127 127 GLN C C 13 175.439 . . . . . . . 160 GLN C . 17546 1 1145 . 1 1 127 127 GLN CA C 13 56.540 . . . . . . . 160 GLN CA . 17546 1 1146 . 1 1 127 127 GLN CB C 13 28.662 . . . . . . . 160 GLN CB . 17546 1 1147 . 1 1 127 127 GLN CG C 13 34.840 . . . . . . . 160 GLN CG . 17546 1 1148 . 1 1 127 127 GLN NE2 N 15 112.6 . . . . . . . 160 GLN NE2 . 17546 1 1149 . 1 1 128 128 GLU H H 1 8.289 . . . . . . . 161 GLU H . 17546 1 1150 . 1 1 128 128 GLU HA H 1 4.451 . . . . . . . 161 GLU HA . 17546 1 1151 . 1 1 128 128 GLU HB2 H 1 2.115 . . . . . . . 161 GLU HB2 . 17546 1 1152 . 1 1 128 128 GLU HG2 H 1 2.366 . . . . . . . 161 GLU HG2 . 17546 1 1153 . 1 1 128 128 GLU HG3 H 1 2.285 . . . . . . . 161 GLU HG3 . 17546 1 1154 . 1 1 128 128 GLU C C 13 175.329 . . . . . . . 161 GLU C . 17546 1 1155 . 1 1 128 128 GLU CA C 13 54.708 . . . . . . . 161 GLU CA . 17546 1 1156 . 1 1 128 128 GLU CB C 13 31.318 . . . . . . . 161 GLU CB . 17546 1 1157 . 1 1 128 128 GLU CG C 13 36.123 . . . . . . . 161 GLU CG . 17546 1 1158 . 1 1 128 128 GLU N N 15 119.617 . . . . . . . 161 GLU N . 17546 1 1159 . 1 1 129 129 LEU H H 1 8.900 . . . . . . . 162 LEU H . 17546 1 1160 . 1 1 129 129 LEU HA H 1 4.832 . . . . . . . 162 LEU HA . 17546 1 1161 . 1 1 129 129 LEU C C 13 174.234 . . . . . . . 162 LEU C . 17546 1 1162 . 1 1 129 129 LEU CA C 13 54.572 . . . . . . . 162 LEU CA . 17546 1 1163 . 1 1 129 129 LEU CB C 13 42.786 . . . . . . . 162 LEU CB . 17546 1 1164 . 1 1 129 129 LEU N N 15 124.672 . . . . . . . 162 LEU N . 17546 1 1165 . 1 1 130 130 TRP H H 1 9.180 . . . . . . . 163 TRP H . 17546 1 1166 . 1 1 130 130 TRP HA H 1 4.526 . . . . . . . 163 TRP HA . 17546 1 1167 . 1 1 130 130 TRP HB2 H 1 3.121 . . . . . . . 163 TRP HB2 . 17546 1 1168 . 1 1 130 130 TRP HD1 H 1 7.22 . . . . . . . 163 TRP HD1 . 17546 1 1169 . 1 1 130 130 TRP HE1 H 1 10.37 . . . . . . . 163 TRP HE1 . 17546 1 1170 . 1 1 130 130 TRP HE3 H 1 7.55 . . . . . . . 163 TRP HE3 . 17546 1 1171 . 1 1 130 130 TRP HZ2 H 1 7.43 . . . . . . . 163 TRP HZ2 . 17546 1 1172 . 1 1 130 130 TRP HZ3 H 1 7.17 . . . . . . . 163 TRP HZ3 . 17546 1 1173 . 1 1 130 130 TRP HH2 H 1 7.09 . . . . . . . 163 TRP HH2 . 17546 1 1174 . 1 1 130 130 TRP C C 13 177.781 . . . . . . . 163 TRP C . 17546 1 1175 . 1 1 130 130 TRP CA C 13 60.172 . . . . . . . 163 TRP CA . 17546 1 1176 . 1 1 130 130 TRP CB C 13 31.918 . . . . . . . 163 TRP CB . 17546 1 1177 . 1 1 130 130 TRP CD1 C 13 127.09 . . . . . . . 163 TRP CD1 . 17546 1 1178 . 1 1 130 130 TRP CE3 C 13 120.84 . . . . . . . 163 TRP CE3 . 17546 1 1179 . 1 1 130 130 TRP CZ2 C 13 114.59 . . . . . . . 163 TRP CZ2 . 17546 1 1180 . 1 1 130 130 TRP CZ3 C 13 124.65 . . . . . . . 163 TRP CZ3 . 17546 1 1181 . 1 1 130 130 TRP CH2 C 13 121.95 . . . . . . . 163 TRP CH2 . 17546 1 1182 . 1 1 130 130 TRP N N 15 132.733 . . . . . . . 163 TRP N . 17546 1 1183 . 1 1 130 130 TRP NE1 N 15 131.38 . . . . . . . 163 TRP NE1 . 17546 1 1184 . 1 1 131 131 GLY H H 1 8.698 . . . . . . . 164 GLY H . 17546 1 1185 . 1 1 131 131 GLY HA2 H 1 4.40 . . . . . . . 164 GLY HA2 . 17546 1 1186 . 1 1 131 131 GLY HA3 H 1 4.16 . . . . . . . 164 GLY HA3 . 17546 1 1187 . 1 1 131 131 GLY C C 13 170.527 . . . . . . . 164 GLY C . 17546 1 1188 . 1 1 131 131 GLY CA C 13 47.380 . . . . . . . 164 GLY CA . 17546 1 1189 . 1 1 131 131 GLY N N 15 104.544 . . . . . . . 164 GLY N . 17546 1 1190 . 1 1 132 132 LEU H H 1 9.584 . . . . . . . 165 LEU H . 17546 1 1191 . 1 1 132 132 LEU HA H 1 4.891 . . . . . . . 165 LEU HA . 17546 1 1192 . 1 1 132 132 LEU C C 13 174.098 . . . . . . . 165 LEU C . 17546 1 1193 . 1 1 132 132 LEU CA C 13 53.431 . . . . . . . 165 LEU CA . 17546 1 1194 . 1 1 132 132 LEU CB C 13 46.553 . . . . . . . 165 LEU CB . 17546 1 1195 . 1 1 132 132 LEU CG C 13 26.241 . . . . . . . 165 LEU CG . 17546 1 1196 . 1 1 132 132 LEU N N 15 117.358 . . . . . . . 165 LEU N . 17546 1 1197 . 1 1 133 133 LEU H H 1 9.580 . . . . . . . 166 LEU H . 17546 1 1198 . 1 1 133 133 LEU HA H 1 5.04 . . . . . . . 166 LEU HA . 17546 1 1199 . 1 1 133 133 LEU HB2 H 1 1.89 . . . . . . . 166 LEU HB2 . 17546 1 1200 . 1 1 133 133 LEU HB3 H 1 1.15 . . . . . . . 166 LEU HB3 . 17546 1 1201 . 1 1 133 133 LEU HG H 1 1.36 . . . . . . . 166 LEU HG . 17546 1 1202 . 1 1 133 133 LEU HD11 H 1 0.68 . . . . . . . 166 LEU HD1 . 17546 1 1203 . 1 1 133 133 LEU HD12 H 1 0.68 . . . . . . . 166 LEU HD1 . 17546 1 1204 . 1 1 133 133 LEU HD13 H 1 0.68 . . . . . . . 166 LEU HD1 . 17546 1 1205 . 1 1 133 133 LEU HD21 H 1 0.70 . . . . . . . 166 LEU HD2 . 17546 1 1206 . 1 1 133 133 LEU HD22 H 1 0.70 . . . . . . . 166 LEU HD2 . 17546 1 1207 . 1 1 133 133 LEU HD23 H 1 0.70 . . . . . . . 166 LEU HD2 . 17546 1 1208 . 1 1 133 133 LEU C C 13 172.103 . . . . . . . 166 LEU C . 17546 1 1209 . 1 1 133 133 LEU CA C 13 54.073 . . . . . . . 166 LEU CA . 17546 1 1210 . 1 1 133 133 LEU CB C 13 44.154 . . . . . . . 166 LEU CB . 17546 1 1211 . 1 1 133 133 LEU CG C 13 27.8 . . . . . . . 166 LEU CG . 17546 1 1212 . 1 1 133 133 LEU CD1 C 13 25.9 . . . . . . . 166 LEU CD1 . 17546 1 1213 . 1 1 133 133 LEU CD2 C 13 24.1 . . . . . . . 166 LEU CD2 . 17546 1 1214 . 1 1 133 133 LEU N N 15 126.488 . . . . . . . 166 LEU N . 17546 1 1215 . 1 1 134 134 VAL H H 1 9.118 . . . . . . . 167 VAL H . 17546 1 1216 . 1 1 134 134 VAL HA H 1 4.99 . . . . . . . 167 VAL HA . 17546 1 1217 . 1 1 134 134 VAL HB H 1 1.56 . . . . . . . 167 VAL HB . 17546 1 1218 . 1 1 134 134 VAL HG11 H 1 0.56 . . . . . . . 167 VAL HG1 . 17546 1 1219 . 1 1 134 134 VAL HG12 H 1 0.56 . . . . . . . 167 VAL HG1 . 17546 1 1220 . 1 1 134 134 VAL HG13 H 1 0.56 . . . . . . . 167 VAL HG1 . 17546 1 1221 . 1 1 134 134 VAL HG21 H 1 0.48 . . . . . . . 167 VAL HG2 . 17546 1 1222 . 1 1 134 134 VAL HG22 H 1 0.48 . . . . . . . 167 VAL HG2 . 17546 1 1223 . 1 1 134 134 VAL HG23 H 1 0.48 . . . . . . . 167 VAL HG2 . 17546 1 1224 . 1 1 134 134 VAL C C 13 175.183 . . . . . . . 167 VAL C . 17546 1 1225 . 1 1 134 134 VAL CA C 13 60.885 . . . . . . . 167 VAL CA . 17546 1 1226 . 1 1 134 134 VAL CB C 13 36.002 . . . . . . . 167 VAL CB . 17546 1 1227 . 1 1 134 134 VAL CG1 C 13 20.1 . . . . . . . 167 VAL CG1 . 17546 1 1228 . 1 1 134 134 VAL CG2 C 13 20.5 . . . . . . . 167 VAL CG2 . 17546 1 1229 . 1 1 134 134 VAL N N 15 126.011 . . . . . . . 167 VAL N . 17546 1 1230 . 1 1 135 135 SER H H 1 9.632 . . . . . . . 168 SER H . 17546 1 1231 . 1 1 135 135 SER HA H 1 5.42 . . . . . . . 168 SER HA . 17546 1 1232 . 1 1 135 135 SER HB2 H 1 3.98 . . . . . . . 168 SER HB2 . 17546 1 1233 . 1 1 135 135 SER HB3 H 1 3.31 . . . . . . . 168 SER HB3 . 17546 1 1234 . 1 1 135 135 SER C C 13 174.618 . . . . . . . 168 SER C . 17546 1 1235 . 1 1 135 135 SER CA C 13 56.013 . . . . . . . 168 SER CA . 17546 1 1236 . 1 1 135 135 SER CB C 13 64.2 . . . . . . . 168 SER CB . 17546 1 1237 . 1 1 135 135 SER N N 15 120.154 . . . . . . . 168 SER N . 17546 1 1238 . 1 1 136 136 HIS H H 1 10.172 . . . . . . . 169 HIS H . 17546 1 1239 . 1 1 136 136 HIS HA H 1 5.95 . . . . . . . 169 HIS HA . 17546 1 1240 . 1 1 136 136 HIS HB2 H 1 3.08 . . . . . . . 169 HIS HB2 . 17546 1 1241 . 1 1 136 136 HIS HB3 H 1 3.00 . . . . . . . 169 HIS HB3 . 17546 1 1242 . 1 1 136 136 HIS HD2 H 1 7.34 . . . . . . . 169 HIS HD2 . 17546 1 1243 . 1 1 136 136 HIS HE1 H 1 7.28 . . . . . . . 169 HIS HE1 . 17546 1 1244 . 1 1 136 136 HIS HE2 H 1 10.07 . . . . . . . 169 HIS HE2 . 17546 1 1245 . 1 1 136 136 HIS C C 13 173.171 . . . . . . . 169 HIS C . 17546 1 1246 . 1 1 136 136 HIS CA C 13 52.529 . . . . . . . 169 HIS CA . 17546 1 1247 . 1 1 136 136 HIS CB C 13 38.030 . . . . . . . 169 HIS CB . 17546 1 1248 . 1 1 136 136 HIS CD2 C 13 131.19 . . . . . . . 169 HIS CD2 . 17546 1 1249 . 1 1 136 136 HIS N N 15 131.426 . . . . . . . 169 HIS N . 17546 1 1250 . 1 1 137 137 HIS H H 1 8.766 . . . . . . . 170 HIS H . 17546 1 1251 . 1 1 137 137 HIS HA H 1 5.56 . . . . . . . 170 HIS HA . 17546 1 1252 . 1 1 137 137 HIS HB2 H 1 3.61 . . . . . . . 170 HIS HB2 . 17546 1 1253 . 1 1 137 137 HIS HB3 H 1 2.95 . . . . . . . 170 HIS HB3 . 17546 1 1254 . 1 1 137 137 HIS C C 13 176.203 . . . . . . . 170 HIS C . 17546 1 1255 . 1 1 137 137 HIS CA C 13 55.470 . . . . . . . 170 HIS CA . 17546 1 1256 . 1 1 137 137 HIS CB C 13 36.954 . . . . . . . 170 HIS CB . 17546 1 1257 . 1 1 137 137 HIS N N 15 119.877 . . . . . . . 170 HIS N . 17546 1 1258 . 1 1 138 138 ALA H H 1 9.619 . . . . . . . 171 ALA H . 17546 1 1259 . 1 1 138 138 ALA HA H 1 4.53 . . . . . . . 171 ALA HA . 17546 1 1260 . 1 1 138 138 ALA HB1 H 1 1.317 . . . . . . . 171 ALA HB . 17546 1 1261 . 1 1 138 138 ALA HB2 H 1 1.317 . . . . . . . 171 ALA HB . 17546 1 1262 . 1 1 138 138 ALA HB3 H 1 1.317 . . . . . . . 171 ALA HB . 17546 1 1263 . 1 1 138 138 ALA C C 13 174.639 . . . . . . . 171 ALA C . 17546 1 1264 . 1 1 138 138 ALA CA C 13 53.693 . . . . . . . 171 ALA CA . 17546 1 1265 . 1 1 138 138 ALA CB C 13 19.394 . . . . . . . 171 ALA CB . 17546 1 1266 . 1 1 138 138 ALA N N 15 129.645 . . . . . . . 171 ALA N . 17546 1 1267 . 1 1 139 139 GLU H H 1 6.937 . . . . . . . 172 GLU H . 17546 1 1268 . 1 1 139 139 GLU CA C 13 53.230 . . . . . . . 172 GLU CA . 17546 1 1269 . 1 1 139 139 GLU CB C 13 31.705 . . . . . . . 172 GLU CB . 17546 1 1270 . 1 1 139 139 GLU N N 15 115.955 . . . . . . . 172 GLU N . 17546 1 1271 . 1 1 140 140 PRO C C 13 176.114 . . . . . . . 175 PRO C . 17546 1 1272 . 1 1 140 140 PRO CA C 13 62.117 . . . . . . . 175 PRO CA . 17546 1 1273 . 1 1 140 140 PRO CB C 13 32.280 . . . . . . . 175 PRO CB . 17546 1 1274 . 1 1 141 141 TYR H H 1 8.748 . . . . . . . 176 TYR H . 17546 1 1275 . 1 1 141 141 TYR HA H 1 4.694 . . . . . . . 176 TYR HA . 17546 1 1276 . 1 1 141 141 TYR HB2 H 1 2.72 . . . . . . . 176 TYR HB2 . 17546 1 1277 . 1 1 141 141 TYR HB3 H 1 2.65 . . . . . . . 176 TYR HB3 . 17546 1 1278 . 1 1 141 141 TYR HD1 H 1 6.94 . . . . . . . 176 TYR HD1 . 17546 1 1279 . 1 1 141 141 TYR HE1 H 1 6.52 . . . . . . . 176 TYR HE1 . 17546 1 1280 . 1 1 141 141 TYR C C 13 175.825 . . . . . . . 176 TYR C . 17546 1 1281 . 1 1 141 141 TYR CA C 13 57.572 . . . . . . . 176 TYR CA . 17546 1 1282 . 1 1 141 141 TYR CB C 13 41.27 . . . . . . . 176 TYR CB . 17546 1 1283 . 1 1 141 141 TYR CD1 C 13 133.2 . . . . . . . 176 TYR CD1 . 17546 1 1284 . 1 1 141 141 TYR CE1 C 13 118.0 . . . . . . . 176 TYR CE1 . 17546 1 1285 . 1 1 141 141 TYR N N 15 118.810 . . . . . . . 176 TYR N . 17546 1 1286 . 1 1 142 142 SER H H 1 9.176 . . . . . . . 177 SER H . 17546 1 1287 . 1 1 142 142 SER CA C 13 56.158 . . . . . . . 177 SER CA . 17546 1 1288 . 1 1 142 142 SER CB C 13 65.972 . . . . . . . 177 SER CB . 17546 1 1289 . 1 1 142 142 SER N N 15 120.202 . . . . . . . 177 SER N . 17546 1 1290 . 1 1 143 143 GLN C C 13 178.823 . . . . . . . 178 GLN C . 17546 1 1291 . 1 1 143 143 GLN CA C 13 60.029 . . . . . . . 178 GLN CA . 17546 1 1292 . 1 1 143 143 GLN CB C 13 29.416 . . . . . . . 178 GLN CB . 17546 1 1293 . 1 1 144 144 GLU H H 1 8.003 . . . . . . . 179 GLU H . 17546 1 1294 . 1 1 144 144 GLU CA C 13 59.878 . . . . . . . 179 GLU CA . 17546 1 1295 . 1 1 144 144 GLU CB C 13 30.192 . . . . . . . 179 GLU CB . 17546 1 1296 . 1 1 144 144 GLU N N 15 118.920 . . . . . . . 179 GLU N . 17546 1 1297 . 1 1 145 145 GLN C C 13 180.324 . . . . . . . 182 GLN C . 17546 1 1298 . 1 1 145 145 GLN CA C 13 58.966 . . . . . . . 182 GLN CA . 17546 1 1299 . 1 1 145 145 GLN CB C 13 29.309 . . . . . . . 182 GLN CB . 17546 1 1300 . 1 1 146 146 VAL H H 1 8.837 . . . . . . . 183 VAL H . 17546 1 1301 . 1 1 146 146 VAL HA H 1 3.544 . . . . . . . 183 VAL HA . 17546 1 1302 . 1 1 146 146 VAL HG11 H 1 1.066 . . . . . . . 183 VAL HG1 . 17546 1 1303 . 1 1 146 146 VAL HG12 H 1 1.066 . . . . . . . 183 VAL HG1 . 17546 1 1304 . 1 1 146 146 VAL HG13 H 1 1.066 . . . . . . . 183 VAL HG1 . 17546 1 1305 . 1 1 146 146 VAL C C 13 177.165 . . . . . . . 183 VAL C . 17546 1 1306 . 1 1 146 146 VAL CA C 13 67.340 . . . . . . . 183 VAL CA . 17546 1 1307 . 1 1 146 146 VAL CB C 13 31.625 . . . . . . . 183 VAL CB . 17546 1 1308 . 1 1 146 146 VAL N N 15 119.232 . . . . . . . 183 VAL N . 17546 1 1309 . 1 1 147 147 VAL H H 1 8.409 . . . . . . . 184 VAL H . 17546 1 1310 . 1 1 147 147 VAL CA C 13 61.341 . . . . . . . 184 VAL CA . 17546 1 1311 . 1 1 147 147 VAL CB C 13 28.751 . . . . . . . 184 VAL CB . 17546 1 1312 . 1 1 147 147 VAL N N 15 120.147 . . . . . . . 184 VAL N . 17546 1 1313 . 1 1 148 148 LEU HA H 1 4.191 . . . . . . . 186 LEU HA . 17546 1 1314 . 1 1 148 148 LEU C C 13 180.853 . . . . . . . 186 LEU C . 17546 1 1315 . 1 1 148 148 LEU CA C 13 58.152 . . . . . . . 186 LEU CA . 17546 1 1316 . 1 1 148 148 LEU CB C 13 41.715 . . . . . . . 186 LEU CB . 17546 1 1317 . 1 1 148 148 LEU CD1 C 13 25.795 . . . . . . . 186 LEU CD1 . 17546 1 1318 . 1 1 149 149 LEU H H 1 7.939 . . . . . . . 187 LEU H . 17546 1 1319 . 1 1 149 149 LEU HA H 1 3.98 . . . . . . . 187 LEU HA . 17546 1 1320 . 1 1 149 149 LEU HB2 H 1 1.83 . . . . . . . 187 LEU HB2 . 17546 1 1321 . 1 1 149 149 LEU HB3 H 1 1.22 . . . . . . . 187 LEU HB3 . 17546 1 1322 . 1 1 149 149 LEU HG H 1 1.71 . . . . . . . 187 LEU HG . 17546 1 1323 . 1 1 149 149 LEU HD11 H 1 0.65 . . . . . . . 187 LEU HD1 . 17546 1 1324 . 1 1 149 149 LEU HD12 H 1 0.65 . . . . . . . 187 LEU HD1 . 17546 1 1325 . 1 1 149 149 LEU HD13 H 1 0.65 . . . . . . . 187 LEU HD1 . 17546 1 1326 . 1 1 149 149 LEU HD21 H 1 0.72 . . . . . . . 187 LEU HD2 . 17546 1 1327 . 1 1 149 149 LEU HD22 H 1 0.72 . . . . . . . 187 LEU HD2 . 17546 1 1328 . 1 1 149 149 LEU HD23 H 1 0.72 . . . . . . . 187 LEU HD2 . 17546 1 1329 . 1 1 149 149 LEU C C 13 178.745 . . . . . . . 187 LEU C . 17546 1 1330 . 1 1 149 149 LEU CA C 13 58.116 . . . . . . . 187 LEU CA . 17546 1 1331 . 1 1 149 149 LEU CB C 13 41.002 . . . . . . . 187 LEU CB . 17546 1 1332 . 1 1 149 149 LEU CG C 13 27.0 . . . . . . . 187 LEU CG . 17546 1 1333 . 1 1 149 149 LEU CD1 C 13 25.3 . . . . . . . 187 LEU CD1 . 17546 1 1334 . 1 1 149 149 LEU CD2 C 13 23.7 . . . . . . . 187 LEU CD2 . 17546 1 1335 . 1 1 149 149 LEU N N 15 119.902 . . . . . . . 187 LEU N . 17546 1 1336 . 1 1 150 150 ALA H H 1 8.777 . . . . . . . 188 ALA H . 17546 1 1337 . 1 1 150 150 ALA HA H 1 3.69 . . . . . . . 188 ALA HA . 17546 1 1338 . 1 1 150 150 ALA HB1 H 1 1.40 . . . . . . . 188 ALA HB . 17546 1 1339 . 1 1 150 150 ALA HB2 H 1 1.40 . . . . . . . 188 ALA HB . 17546 1 1340 . 1 1 150 150 ALA HB3 H 1 1.40 . . . . . . . 188 ALA HB . 17546 1 1341 . 1 1 150 150 ALA C C 13 179.733 . . . . . . . 188 ALA C . 17546 1 1342 . 1 1 150 150 ALA CA C 13 55.766 . . . . . . . 188 ALA CA . 17546 1 1343 . 1 1 150 150 ALA CB C 13 17.727 . . . . . . . 188 ALA CB . 17546 1 1344 . 1 1 150 150 ALA N N 15 124.067 . . . . . . . 188 ALA N . 17546 1 1345 . 1 1 151 151 ASP H H 1 8.889 . . . . . . . 189 ASP H . 17546 1 1346 . 1 1 151 151 ASP HA H 1 4.32 . . . . . . . 189 ASP HA . 17546 1 1347 . 1 1 151 151 ASP HB2 H 1 2.98 . . . . . . . 189 ASP HB2 . 17546 1 1348 . 1 1 151 151 ASP HB3 H 1 2.66 . . . . . . . 189 ASP HB3 . 17546 1 1349 . 1 1 151 151 ASP C C 13 179.743 . . . . . . . 189 ASP C . 17546 1 1350 . 1 1 151 151 ASP CA C 13 57.377 . . . . . . . 189 ASP CA . 17546 1 1351 . 1 1 151 151 ASP CB C 13 39.810 . . . . . . . 189 ASP CB . 17546 1 1352 . 1 1 151 151 ASP N N 15 119.061 . . . . . . . 189 ASP N . 17546 1 1353 . 1 1 152 152 GLN H H 1 7.576 . . . . . . . 190 GLN H . 17546 1 1354 . 1 1 152 152 GLN C C 13 178.667 . . . . . . . 190 GLN C . 17546 1 1355 . 1 1 152 152 GLN CA C 13 58.050 . . . . . . . 190 GLN CA . 17546 1 1356 . 1 1 152 152 GLN CB C 13 27.939 . . . . . . . 190 GLN CB . 17546 1 1357 . 1 1 152 152 GLN N N 15 118.340 . . . . . . . 190 GLN N . 17546 1 1358 . 1 1 153 153 VAL H H 1 8.290 . . . . . . . 191 VAL H . 17546 1 1359 . 1 1 153 153 VAL HA H 1 3.29 . . . . . . . 191 VAL HA . 17546 1 1360 . 1 1 153 153 VAL HB H 1 2.18 . . . . . . . 191 VAL HB . 17546 1 1361 . 1 1 153 153 VAL HG11 H 1 0.89 . . . . . . . 191 VAL HG1 . 17546 1 1362 . 1 1 153 153 VAL HG12 H 1 0.89 . . . . . . . 191 VAL HG1 . 17546 1 1363 . 1 1 153 153 VAL HG13 H 1 0.89 . . . . . . . 191 VAL HG1 . 17546 1 1364 . 1 1 153 153 VAL HG21 H 1 0.61 . . . . . . . 191 VAL HG2 . 17546 1 1365 . 1 1 153 153 VAL HG22 H 1 0.61 . . . . . . . 191 VAL HG2 . 17546 1 1366 . 1 1 153 153 VAL HG23 H 1 0.61 . . . . . . . 191 VAL HG2 . 17546 1 1367 . 1 1 153 153 VAL C C 13 177.167 . . . . . . . 191 VAL C . 17546 1 1368 . 1 1 153 153 VAL CA C 13 67.008 . . . . . . . 191 VAL CA . 17546 1 1369 . 1 1 153 153 VAL CB C 13 30.358 . . . . . . . 191 VAL CB . 17546 1 1370 . 1 1 153 153 VAL CG1 C 13 24.6 . . . . . . . 191 VAL CG1 . 17546 1 1371 . 1 1 153 153 VAL CG2 C 13 22.6 . . . . . . . 191 VAL CG2 . 17546 1 1372 . 1 1 153 153 VAL N N 15 121.704 . . . . . . . 191 VAL N . 17546 1 1373 . 1 1 154 154 SER H H 1 8.341 . . . . . . . 192 SER H . 17546 1 1374 . 1 1 154 154 SER C C 13 177.103 . . . . . . . 192 SER C . 17546 1 1375 . 1 1 154 154 SER CA C 13 62.670 . . . . . . . 192 SER CA . 17546 1 1376 . 1 1 154 154 SER CB C 13 62.891 . . . . . . . 192 SER CB . 17546 1 1377 . 1 1 154 154 SER N N 15 115.695 . . . . . . . 192 SER N . 17546 1 1378 . 1 1 155 155 ILE H H 1 7.450 . . . . . . . 193 ILE H . 17546 1 1379 . 1 1 155 155 ILE HA H 1 3.673 . . . . . . . 193 ILE HA . 17546 1 1380 . 1 1 155 155 ILE HB H 1 1.95 . . . . . . . 193 ILE HB . 17546 1 1381 . 1 1 155 155 ILE HG12 H 1 1.73 . . . . . . . 193 ILE HG12 . 17546 1 1382 . 1 1 155 155 ILE HG13 H 1 1.06 . . . . . . . 193 ILE HG13 . 17546 1 1383 . 1 1 155 155 ILE HG21 H 1 0.85 . . . . . . . 193 ILE HG2 . 17546 1 1384 . 1 1 155 155 ILE HG22 H 1 0.85 . . . . . . . 193 ILE HG2 . 17546 1 1385 . 1 1 155 155 ILE HG23 H 1 0.85 . . . . . . . 193 ILE HG2 . 17546 1 1386 . 1 1 155 155 ILE HD11 H 1 0.82 . . . . . . . 193 ILE HD1 . 17546 1 1387 . 1 1 155 155 ILE HD12 H 1 0.82 . . . . . . . 193 ILE HD1 . 17546 1 1388 . 1 1 155 155 ILE HD13 H 1 0.82 . . . . . . . 193 ILE HD1 . 17546 1 1389 . 1 1 155 155 ILE C C 13 178.014 . . . . . . . 193 ILE C . 17546 1 1390 . 1 1 155 155 ILE CA C 13 65.094 . . . . . . . 193 ILE CA . 17546 1 1391 . 1 1 155 155 ILE CB C 13 38.141 . . . . . . . 193 ILE CB . 17546 1 1392 . 1 1 155 155 ILE CG1 C 13 29.4 . . . . . . . 193 ILE CG1 . 17546 1 1393 . 1 1 155 155 ILE CG2 C 13 17.207 . . . . . . . 193 ILE CG2 . 17546 1 1394 . 1 1 155 155 ILE CD1 C 13 13.17 . . . . . . . 193 ILE CD1 . 17546 1 1395 . 1 1 155 155 ILE N N 15 122.736 . . . . . . . 193 ILE N . 17546 1 1396 . 1 1 156 156 ALA H H 1 7.791 . . . . . . . 194 ALA H . 17546 1 1397 . 1 1 156 156 ALA HA H 1 3.96 . . . . . . . 194 ALA HA . 17546 1 1398 . 1 1 156 156 ALA HB1 H 1 1.41 . . . . . . . 194 ALA HB . 17546 1 1399 . 1 1 156 156 ALA HB2 H 1 1.41 . . . . . . . 194 ALA HB . 17546 1 1400 . 1 1 156 156 ALA HB3 H 1 1.41 . . . . . . . 194 ALA HB . 17546 1 1401 . 1 1 156 156 ALA C C 13 180.381 . . . . . . . 194 ALA C . 17546 1 1402 . 1 1 156 156 ALA CA C 13 55.044 . . . . . . . 194 ALA CA . 17546 1 1403 . 1 1 156 156 ALA CB C 13 18.360 . . . . . . . 194 ALA CB . 17546 1 1404 . 1 1 156 156 ALA N N 15 123.462 . . . . . . . 194 ALA N . 17546 1 1405 . 1 1 157 157 ILE H H 1 8.636 . . . . . . . 195 ILE H . 17546 1 1406 . 1 1 157 157 ILE HA H 1 3.07 . . . . . . . 195 ILE HA . 17546 1 1407 . 1 1 157 157 ILE HB H 1 1.39 . . . . . . . 195 ILE HB . 17546 1 1408 . 1 1 157 157 ILE HG12 H 1 1.15 . . . . . . . 195 ILE HG12 . 17546 1 1409 . 1 1 157 157 ILE HG13 H 1 -0.48 . . . . . . . 195 ILE HG13 . 17546 1 1410 . 1 1 157 157 ILE HG21 H 1 -0.28 . . . . . . . 195 ILE HG2 . 17546 1 1411 . 1 1 157 157 ILE HG22 H 1 -0.28 . . . . . . . 195 ILE HG2 . 17546 1 1412 . 1 1 157 157 ILE HG23 H 1 -0.28 . . . . . . . 195 ILE HG2 . 17546 1 1413 . 1 1 157 157 ILE HD11 H 1 -0.48 . . . . . . . 195 ILE HD1 . 17546 1 1414 . 1 1 157 157 ILE HD12 H 1 -0.48 . . . . . . . 195 ILE HD1 . 17546 1 1415 . 1 1 157 157 ILE HD13 H 1 -0.48 . . . . . . . 195 ILE HD1 . 17546 1 1416 . 1 1 157 157 ILE C C 13 177.629 . . . . . . . 195 ILE C . 17546 1 1417 . 1 1 157 157 ILE CA C 13 65.53 . . . . . . . 195 ILE CA . 17546 1 1418 . 1 1 157 157 ILE CB C 13 37.874 . . . . . . . 195 ILE CB . 17546 1 1419 . 1 1 157 157 ILE CG1 C 13 29.3 . . . . . . . 195 ILE CG1 . 17546 1 1420 . 1 1 157 157 ILE CG2 C 13 15.9 . . . . . . . 195 ILE CG2 . 17546 1 1421 . 1 1 157 157 ILE CD1 C 13 13.7 . . . . . . . 195 ILE CD1 . 17546 1 1422 . 1 1 157 157 ILE N N 15 120.302 . . . . . . . 195 ILE N . 17546 1 1423 . 1 1 158 158 ALA H H 1 7.346 . . . . . . . 196 ALA H . 17546 1 1424 . 1 1 158 158 ALA HA H 1 3.865 . . . . . . . 196 ALA HA . 17546 1 1425 . 1 1 158 158 ALA HB1 H 1 1.42 . . . . . . . 196 ALA HB . 17546 1 1426 . 1 1 158 158 ALA HB2 H 1 1.42 . . . . . . . 196 ALA HB . 17546 1 1427 . 1 1 158 158 ALA HB3 H 1 1.42 . . . . . . . 196 ALA HB . 17546 1 1428 . 1 1 158 158 ALA C C 13 180.451 . . . . . . . 196 ALA C . 17546 1 1429 . 1 1 158 158 ALA CA C 13 54.611 . . . . . . . 196 ALA CA . 17546 1 1430 . 1 1 158 158 ALA CB C 13 17.878 . . . . . . . 196 ALA CB . 17546 1 1431 . 1 1 158 158 ALA N N 15 120.110 . . . . . . . 196 ALA N . 17546 1 1432 . 1 1 159 159 GLN H H 1 8.098 . . . . . . . 197 GLN H . 17546 1 1433 . 1 1 159 159 GLN HA H 1 4.082 . . . . . . . 197 GLN HA . 17546 1 1434 . 1 1 159 159 GLN HB2 H 1 2.096 . . . . . . . 197 GLN HB2 . 17546 1 1435 . 1 1 159 159 GLN HG2 H 1 2.443 . . . . . . . 197 GLN HG2 . 17546 1 1436 . 1 1 159 159 GLN HE21 H 1 6.92 . . . . . . . 197 GLN HE21 . 17546 1 1437 . 1 1 159 159 GLN HE22 H 1 7.69 . . . . . . . 197 GLN HE22 . 17546 1 1438 . 1 1 159 159 GLN C C 13 178.018 . . . . . . . 197 GLN C . 17546 1 1439 . 1 1 159 159 GLN CA C 13 57.945 . . . . . . . 197 GLN CA . 17546 1 1440 . 1 1 159 159 GLN CB C 13 28.715 . . . . . . . 197 GLN CB . 17546 1 1441 . 1 1 159 159 GLN CG C 13 34.147 . . . . . . . 197 GLN CG . 17546 1 1442 . 1 1 159 159 GLN N N 15 116.894 . . . . . . . 197 GLN N . 17546 1 1443 . 1 1 159 159 GLN NE2 N 15 112.67 . . . . . . . 197 GLN NE2 . 17546 1 1444 . 1 1 160 160 ALA H H 1 8.106 . . . . . . . 198 ALA H . 17546 1 1445 . 1 1 160 160 ALA HA H 1 4.19 . . . . . . . 198 ALA HA . 17546 1 1446 . 1 1 160 160 ALA HB1 H 1 1.486 . . . . . . . 198 ALA HB . 17546 1 1447 . 1 1 160 160 ALA HB2 H 1 1.486 . . . . . . . 198 ALA HB . 17546 1 1448 . 1 1 160 160 ALA HB3 H 1 1.486 . . . . . . . 198 ALA HB . 17546 1 1449 . 1 1 160 160 ALA C C 13 179.652 . . . . . . . 198 ALA C . 17546 1 1450 . 1 1 160 160 ALA CA C 13 54.389 . . . . . . . 198 ALA CA . 17546 1 1451 . 1 1 160 160 ALA CB C 13 19.042 . . . . . . . 198 ALA CB . 17546 1 1452 . 1 1 160 160 ALA N N 15 122.979 . . . . . . . 198 ALA N . 17546 1 1453 . 1 1 161 161 GLU H H 1 7.941 . . . . . . . 199 GLU H . 17546 1 1454 . 1 1 161 161 GLU HA H 1 4.184 . . . . . . . 199 GLU HA . 17546 1 1455 . 1 1 161 161 GLU HB2 H 1 2.200 . . . . . . . 199 GLU HB2 . 17546 1 1456 . 1 1 161 161 GLU HB3 H 1 1.939 . . . . . . . 199 GLU HB3 . 17546 1 1457 . 1 1 161 161 GLU HG2 H 1 2.287 . . . . . . . 199 GLU HG2 . 17546 1 1458 . 1 1 161 161 GLU HG3 H 1 2.130 . . . . . . . 199 GLU HG3 . 17546 1 1459 . 1 1 161 161 GLU C C 13 177.836 . . . . . . . 199 GLU C . 17546 1 1460 . 1 1 161 161 GLU CA C 13 57.937 . . . . . . . 199 GLU CA . 17546 1 1461 . 1 1 161 161 GLU CB C 13 29.871 . . . . . . . 199 GLU CB . 17546 1 1462 . 1 1 161 161 GLU CG C 13 36.173 . . . . . . . 199 GLU CG . 17546 1 1463 . 1 1 161 161 GLU N N 15 117.777 . . . . . . . 199 GLU N . 17546 1 1464 . 1 1 162 162 LEU H H 1 7.763 . . . . . . . 200 LEU H . 17546 1 1465 . 1 1 162 162 LEU HA H 1 4.28 . . . . . . . 200 LEU HA . 17546 1 1466 . 1 1 162 162 LEU HB2 H 1 1.798 . . . . . . . 200 LEU HB2 . 17546 1 1467 . 1 1 162 162 LEU HB3 H 1 1.654 . . . . . . . 200 LEU HB3 . 17546 1 1468 . 1 1 162 162 LEU HD11 H 1 0.95 . . . . . . . 200 LEU HD1 . 17546 1 1469 . 1 1 162 162 LEU HD12 H 1 0.95 . . . . . . . 200 LEU HD1 . 17546 1 1470 . 1 1 162 162 LEU HD13 H 1 0.95 . . . . . . . 200 LEU HD1 . 17546 1 1471 . 1 1 162 162 LEU HD21 H 1 0.91 . . . . . . . 200 LEU HD2 . 17546 1 1472 . 1 1 162 162 LEU HD22 H 1 0.91 . . . . . . . 200 LEU HD2 . 17546 1 1473 . 1 1 162 162 LEU HD23 H 1 0.91 . . . . . . . 200 LEU HD2 . 17546 1 1474 . 1 1 162 162 LEU C C 13 178.382 . . . . . . . 200 LEU C . 17546 1 1475 . 1 1 162 162 LEU CA C 13 56.315 . . . . . . . 200 LEU CA . 17546 1 1476 . 1 1 162 162 LEU CB C 13 42.194 . . . . . . . 200 LEU CB . 17546 1 1477 . 1 1 162 162 LEU CD1 C 13 26.9 . . . . . . . 200 LEU CD1 . 17546 1 1478 . 1 1 162 162 LEU CD2 C 13 25.0 . . . . . . . 200 LEU CD2 . 17546 1 1479 . 1 1 162 162 LEU N N 15 120.195 . . . . . . . 200 LEU N . 17546 1 1480 . 1 1 163 163 SER H H 1 8.014 . . . . . . . 201 SER H . 17546 1 1481 . 1 1 163 163 SER HA H 1 4.343 . . . . . . . 201 SER HA . 17546 1 1482 . 1 1 163 163 SER HB2 H 1 3.927 . . . . . . . 201 SER HB2 . 17546 1 1483 . 1 1 163 163 SER C C 13 175.038 . . . . . . . 201 SER C . 17546 1 1484 . 1 1 163 163 SER CA C 13 59.410 . . . . . . . 201 SER CA . 17546 1 1485 . 1 1 163 163 SER CB C 13 63.518 . . . . . . . 201 SER CB . 17546 1 1486 . 1 1 163 163 SER N N 15 114.513 . . . . . . . 201 SER N . 17546 1 1487 . 1 1 164 164 LEU H H 1 7.893 . . . . . . . 202 LEU H . 17546 1 1488 . 1 1 164 164 LEU CA C 13 55.87 . . . . . . . 202 LEU CA . 17546 1 1489 . 1 1 164 164 LEU CB C 13 42.19 . . . . . . . 202 LEU CB . 17546 1 1490 . 1 1 164 164 LEU N N 15 122.426 . . . . . . . 202 LEU N . 17546 1 stop_ save_