data_25137 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25137 _Entry.Title ; Ligand-induced folding of a receiver domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-08-08 _Entry.Accession_date 2014-08-08 _Entry.Last_release_date 2016-06-30 _Entry.Original_release_date 2016-06-30 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Victor Ocasio . J. . . 25137 2 Fernando Correa . . . . 25137 3 Kevin Gardner . H. . . 25137 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' . 25137 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID REC . 25137 'response regulator' . 25137 'two component system' . 25137 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25137 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 530 25137 '15N chemical shifts' 121 25137 '1H chemical shifts' 877 25137 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2016-06-30 2014-08-08 update BMRB 'update entry citation' 25137 1 . . 2015-02-09 2014-08-08 original author 'original release' 25137 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MSW 'BMRB Entry Tracking System' 25137 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25137 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25629646 _Citation.Full_citation . _Citation.Title ; Ligand-induced folding of a two-component signaling receiver domain ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 54 _Citation.Journal_issue 6 _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 1353 _Citation.Page_last 1363 _Citation.Year 2015 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Victor Ocasio . J. . . 25137 1 2 Fernando Correa . . . . 25137 1 3 Kevin Gardner . H. . . 25137 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25137 _Assembly.ID 1 _Assembly.Name EL_LovR _Assembly.BMRB_code . _Assembly.Number_of_components 3 _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 EL_LovR 1 $EL_LovR A . yes native no no . . . 25137 1 2 'BERYLLIUM TRIFLUORIDE ION' 2 $entity_BEF B . no native no no . . . 25137 1 3 Magnesium 3 $entity_MG C . no native no no . . . 25137 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_EL_LovR _Entity.Sf_category entity _Entity.Sf_framecode EL_LovR _Entity.Entry_ID 25137 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name EL_LovR _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 ; GAMGMPKVLVLEDEPLIAMN LQYAFEDEGAEVVVAATCEQ ALKSLADNPIDVAVLDVNLG PKSHCGPVADALKQRAIPFI LHTGDLDRHGELLRKIDAPV MAKPADTSDVAKRALEMCGG DKEPA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-4 is residual TEV protease tag' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 125 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13259.346 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 GLY . 25137 1 2 2 ALA . 25137 1 3 3 MET . 25137 1 4 4 GLY . 25137 1 5 5 MET . 25137 1 6 6 PRO . 25137 1 7 7 LYS . 25137 1 8 8 VAL . 25137 1 9 9 LEU . 25137 1 10 10 VAL . 25137 1 11 11 LEU . 25137 1 12 12 GLU . 25137 1 13 13 ASP . 25137 1 14 14 GLU . 25137 1 15 15 PRO . 25137 1 16 16 LEU . 25137 1 17 17 ILE . 25137 1 18 18 ALA . 25137 1 19 19 MET . 25137 1 20 20 ASN . 25137 1 21 21 LEU . 25137 1 22 22 GLN . 25137 1 23 23 TYR . 25137 1 24 24 ALA . 25137 1 25 25 PHE . 25137 1 26 26 GLU . 25137 1 27 27 ASP . 25137 1 28 28 GLU . 25137 1 29 29 GLY . 25137 1 30 30 ALA . 25137 1 31 31 GLU . 25137 1 32 32 VAL . 25137 1 33 33 VAL . 25137 1 34 34 VAL . 25137 1 35 35 ALA . 25137 1 36 36 ALA . 25137 1 37 37 THR . 25137 1 38 38 CYS . 25137 1 39 39 GLU . 25137 1 40 40 GLN . 25137 1 41 41 ALA . 25137 1 42 42 LEU . 25137 1 43 43 LYS . 25137 1 44 44 SER . 25137 1 45 45 LEU . 25137 1 46 46 ALA . 25137 1 47 47 ASP . 25137 1 48 48 ASN . 25137 1 49 49 PRO . 25137 1 50 50 ILE . 25137 1 51 51 ASP . 25137 1 52 52 VAL . 25137 1 53 53 ALA . 25137 1 54 54 VAL . 25137 1 55 55 LEU . 25137 1 56 56 ASP . 25137 1 57 57 VAL . 25137 1 58 58 ASN . 25137 1 59 59 LEU . 25137 1 60 60 GLY . 25137 1 61 61 PRO . 25137 1 62 62 LYS . 25137 1 63 63 SER . 25137 1 64 64 HIS . 25137 1 65 65 CYS . 25137 1 66 66 GLY . 25137 1 67 67 PRO . 25137 1 68 68 VAL . 25137 1 69 69 ALA . 25137 1 70 70 ASP . 25137 1 71 71 ALA . 25137 1 72 72 LEU . 25137 1 73 73 LYS . 25137 1 74 74 GLN . 25137 1 75 75 ARG . 25137 1 76 76 ALA . 25137 1 77 77 ILE . 25137 1 78 78 PRO . 25137 1 79 79 PHE . 25137 1 80 80 ILE . 25137 1 81 81 LEU . 25137 1 82 82 HIS . 25137 1 83 83 THR . 25137 1 84 84 GLY . 25137 1 85 85 ASP . 25137 1 86 86 LEU . 25137 1 87 87 ASP . 25137 1 88 88 ARG . 25137 1 89 89 HIS . 25137 1 90 90 GLY . 25137 1 91 91 GLU . 25137 1 92 92 LEU . 25137 1 93 93 LEU . 25137 1 94 94 ARG . 25137 1 95 95 LYS . 25137 1 96 96 ILE . 25137 1 97 97 ASP . 25137 1 98 98 ALA . 25137 1 99 99 PRO . 25137 1 100 100 VAL . 25137 1 101 101 MET . 25137 1 102 102 ALA . 25137 1 103 103 LYS . 25137 1 104 104 PRO . 25137 1 105 105 ALA . 25137 1 106 106 ASP . 25137 1 107 107 THR . 25137 1 108 108 SER . 25137 1 109 109 ASP . 25137 1 110 110 VAL . 25137 1 111 111 ALA . 25137 1 112 112 LYS . 25137 1 113 113 ARG . 25137 1 114 114 ALA . 25137 1 115 115 LEU . 25137 1 116 116 GLU . 25137 1 117 117 MET . 25137 1 118 118 CYS . 25137 1 119 119 GLY . 25137 1 120 120 GLY . 25137 1 121 121 ASP . 25137 1 122 122 LYS . 25137 1 123 123 GLU . 25137 1 124 124 PRO . 25137 1 125 125 ALA . 25137 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 25137 1 . ALA 2 2 25137 1 . MET 3 3 25137 1 . GLY 4 4 25137 1 . MET 5 5 25137 1 . PRO 6 6 25137 1 . LYS 7 7 25137 1 . VAL 8 8 25137 1 . LEU 9 9 25137 1 . VAL 10 10 25137 1 . LEU 11 11 25137 1 . GLU 12 12 25137 1 . ASP 13 13 25137 1 . GLU 14 14 25137 1 . PRO 15 15 25137 1 . LEU 16 16 25137 1 . ILE 17 17 25137 1 . ALA 18 18 25137 1 . MET 19 19 25137 1 . ASN 20 20 25137 1 . LEU 21 21 25137 1 . GLN 22 22 25137 1 . TYR 23 23 25137 1 . ALA 24 24 25137 1 . PHE 25 25 25137 1 . GLU 26 26 25137 1 . ASP 27 27 25137 1 . GLU 28 28 25137 1 . GLY 29 29 25137 1 . ALA 30 30 25137 1 . GLU 31 31 25137 1 . VAL 32 32 25137 1 . VAL 33 33 25137 1 . VAL 34 34 25137 1 . ALA 35 35 25137 1 . ALA 36 36 25137 1 . THR 37 37 25137 1 . CYS 38 38 25137 1 . GLU 39 39 25137 1 . GLN 40 40 25137 1 . ALA 41 41 25137 1 . LEU 42 42 25137 1 . LYS 43 43 25137 1 . SER 44 44 25137 1 . LEU 45 45 25137 1 . ALA 46 46 25137 1 . ASP 47 47 25137 1 . ASN 48 48 25137 1 . PRO 49 49 25137 1 . ILE 50 50 25137 1 . ASP 51 51 25137 1 . VAL 52 52 25137 1 . ALA 53 53 25137 1 . VAL 54 54 25137 1 . LEU 55 55 25137 1 . ASP 56 56 25137 1 . VAL 57 57 25137 1 . ASN 58 58 25137 1 . LEU 59 59 25137 1 . GLY 60 60 25137 1 . PRO 61 61 25137 1 . LYS 62 62 25137 1 . SER 63 63 25137 1 . HIS 64 64 25137 1 . CYS 65 65 25137 1 . GLY 66 66 25137 1 . PRO 67 67 25137 1 . VAL 68 68 25137 1 . ALA 69 69 25137 1 . ASP 70 70 25137 1 . ALA 71 71 25137 1 . LEU 72 72 25137 1 . LYS 73 73 25137 1 . GLN 74 74 25137 1 . ARG 75 75 25137 1 . ALA 76 76 25137 1 . ILE 77 77 25137 1 . PRO 78 78 25137 1 . PHE 79 79 25137 1 . ILE 80 80 25137 1 . LEU 81 81 25137 1 . HIS 82 82 25137 1 . THR 83 83 25137 1 . GLY 84 84 25137 1 . ASP 85 85 25137 1 . LEU 86 86 25137 1 . ASP 87 87 25137 1 . ARG 88 88 25137 1 . HIS 89 89 25137 1 . GLY 90 90 25137 1 . GLU 91 91 25137 1 . LEU 92 92 25137 1 . LEU 93 93 25137 1 . ARG 94 94 25137 1 . LYS 95 95 25137 1 . ILE 96 96 25137 1 . ASP 97 97 25137 1 . ALA 98 98 25137 1 . PRO 99 99 25137 1 . VAL 100 100 25137 1 . MET 101 101 25137 1 . ALA 102 102 25137 1 . LYS 103 103 25137 1 . PRO 104 104 25137 1 . ALA 105 105 25137 1 . ASP 106 106 25137 1 . THR 107 107 25137 1 . SER 108 108 25137 1 . ASP 109 109 25137 1 . VAL 110 110 25137 1 . ALA 111 111 25137 1 . LYS 112 112 25137 1 . ARG 113 113 25137 1 . ALA 114 114 25137 1 . LEU 115 115 25137 1 . GLU 116 116 25137 1 . MET 117 117 25137 1 . CYS 118 118 25137 1 . GLY 119 119 25137 1 . GLY 120 120 25137 1 . ASP 121 121 25137 1 . LYS 122 122 25137 1 . GLU 123 123 25137 1 . PRO 124 124 25137 1 . ALA 125 125 25137 1 stop_ save_ save_entity_BEF _Entity.Sf_category entity _Entity.Sf_framecode entity_BEF _Entity.Entry_ID 25137 _Entity.ID 2 _Entity.BMRB_code BEF _Entity.Name 'BERYLLIUM TRIFLUORIDE ION' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID BEF _Entity.Nonpolymer_comp_label $chem_comp_BEF _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 66.007 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'BERYLLIUM TRIFLUORIDE ION' BMRB 25137 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'BERYLLIUM TRIFLUORIDE ION' BMRB 25137 2 BEF 'Three letter code' 25137 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 BEF $chem_comp_BEF 25137 2 stop_ save_ save_entity_MG _Entity.Sf_category entity _Entity.Sf_framecode entity_MG _Entity.Entry_ID 25137 _Entity.ID 3 _Entity.BMRB_code MG _Entity.Name 'MAGNESIUM ION' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID MG _Entity.Nonpolymer_comp_label $chem_comp_MG _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 24.305 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'MAGNESIUM ION' BMRB 25137 3 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'MAGNESIUM ION' BMRB 25137 3 MG 'Three letter code' 25137 3 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MG $chem_comp_MG 25137 3 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 25137 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $EL_LovR . 314225 organism . 'Erythrobacter litoralis' a-proteobacteria . . Bacteria . Erythrobacter litoralis HTCC2594 . . . . . . . . . . ELI_07655 . 25137 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 25137 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $EL_LovR . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pHis-parallel . . . 25137 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_BEF _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_BEF _Chem_comp.Entry_ID 25137 _Chem_comp.ID BEF _Chem_comp.Provenance PDB _Chem_comp.Name 'BERYLLIUM TRIFLUORIDE ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code BEF _Chem_comp.PDB_code BEF _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code BEF _Chem_comp.Number_atoms_all 4 _Chem_comp.Number_atoms_nh 4 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Be.3FH/h;3*1H/q+2;;;/p-3 _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 -1 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'Be F3' _Chem_comp.Formula_weight 66.007 _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 yes _Chem_comp.Model_coordinates_db_code 1LVK _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID F[Be-](F)F SMILES ACDLabs 10.04 25137 BEF F[Be-](F)F SMILES CACTVS 3.341 25137 BEF F[Be-](F)F SMILES_CANONICAL CACTVS 3.341 25137 BEF InChI=1S/Be.3FH/h;3*1H/q+2;;;/p-3 InChI InChI 1.03 25137 BEF OGIAHMCCNXDTIE-UHFFFAOYSA-K InChIKey InChI 1.03 25137 BEF [Be-](F)(F)F SMILES 'OpenEye OEToolkits' 1.5.0 25137 BEF [Be-](F)(F)F SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 25137 BEF 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 trifluoroberyllate(1-) 'SYSTEMATIC NAME' ACDLabs 10.04 25137 BEF trifluoroberyllium 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 25137 BEF 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 BE BE BE BE . BE . . N -1 . . . 0 no no . . . . 32.595 . 58.188 . 22.992 . . . . 1 . 25137 BEF F1 F1 F1 F1 . F . . N 0 . . . 1 no no . . . . 31.324 . 57.364 . 23.232 . . . . 2 . 25137 BEF F2 F2 F2 F2 . F . . N 0 . . . 1 no no . . . . 33.110 . 58.885 . 24.291 . . . . 3 . 25137 BEF F3 F3 F3 F3 . F . . N 0 . . . 1 no no . . . . 32.321 . 59.297 . 21.951 . . . . 4 . 25137 BEF 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 . SING BE F1 no N 1 . 25137 BEF 2 . SING BE F2 no N 2 . 25137 BEF 3 . SING BE F3 no N 3 . 25137 BEF stop_ save_ save_chem_comp_MG _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_MG _Chem_comp.Entry_ID 25137 _Chem_comp.ID MG _Chem_comp.Provenance PDB _Chem_comp.Name 'MAGNESIUM ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code MG _Chem_comp.PDB_code MG _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code MG _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Mg/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Mg _Chem_comp.Formula_weight 24.305 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site PDBJ _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Mg/q+2 InChI InChI 1.03 25137 MG JLVVSXFLKOJNIY-UHFFFAOYSA-N InChIKey InChI 1.03 25137 MG [Mg++] SMILES CACTVS 3.341 25137 MG [Mg++] SMILES_CANONICAL CACTVS 3.341 25137 MG [Mg+2] SMILES ACDLabs 10.04 25137 MG [Mg+2] SMILES 'OpenEye OEToolkits' 1.5.0 25137 MG [Mg+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 25137 MG 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 magnesium 'SYSTEMATIC NAME' ACDLabs 10.04 25137 MG 'magnesium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 25137 MG 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 MG MG MG MG . MG . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 25137 MG stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25137 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium azide' 'natural abundance' . . . . . . 3 . . mM . . . . 25137 1 2 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 25137 1 3 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 25137 1 4 'AEBSF protease inhibitor' 'natural abundance' . . . . . . 1.8 . . mg/mL . . . . 25137 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25137 1 6 EL_LovR '[U-100% 13C; U-100% 15N]' . . 1 $EL_LovR . . 500 . . uM . . . . 25137 1 7 'Beryllium fluoride' 'natural abundance' . . 2 $entity_BEF . . 15 . . mM . . . . 25137 1 8 'Magnesium Chloride' 'natural abundance' . . 3 $entity_MG . . 10 . . mM . . . . 25137 1 9 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25137 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 25137 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0 . M 25137 1 pH 7.5 . pH 25137 1 pressure 1 . atm 25137 1 temperature 273 . K 25137 1 stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 25137 _Software.ID 1 _Software.Name ARIA _Software.Version 2.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 25137 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25137 1 'structure solution' 25137 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 25137 _Software.ID 2 _Software.Name NMRView _Software.Version 9.0.0-b114 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 25137 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25137 2 'data analysis' 25137 2 'peak picking' 25137 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25137 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25137 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25137 3 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 25137 _Software.ID 4 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 25137 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25137 4 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 25137 _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_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25137 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25137 _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 . . . 25137 1 2 spectrometer_2 Varian INOVA . 600 . . . 25137 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 25137 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25137 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25137 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25137 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25137 1 5 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25137 1 6 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25137 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25137 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25137 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25137 1 10 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25137 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 25137 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 25137 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25137 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25137 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 25137 _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 CBCA(CO)NH' . . . 25137 1 3 '3D HNCO' . . . 25137 1 4 '3D HNCACB' . . . 25137 1 5 '3D H(CCO)NH' . . . 25137 1 6 '3D C(CO)NH' . . . 25137 1 7 '3D HCCH-TOCSY' . . . 25137 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.9170 0.0000 . 2 . . . A 1 GLY HA2 . 25137 1 2 . 1 1 1 1 GLY HA3 H 1 3.9170 0.0000 . 2 . . . A 1 GLY HA3 . 25137 1 3 . 1 1 1 1 GLY C C 13 174.0100 0.0000 . 1 . . . A 1 GLY C . 25137 1 4 . 1 1 1 1 GLY CA C 13 45.3876 0.0000 . 1 . 10063 . A 1 GLY CA . 25137 1 5 . 1 1 2 2 ALA H H 1 7.9827 0.0000 . 1 . 11343 . A 2 ALA H . 25137 1 6 . 1 1 2 2 ALA HA H 1 4.3571 0.0000 . 1 . 78579 . A 2 ALA HA . 25137 1 7 . 1 1 2 2 ALA HB1 H 1 1.4030 0.0000 . 1 . . . A 2 ALA HB1 . 25137 1 8 . 1 1 2 2 ALA HB2 H 1 1.4030 0.0000 . 1 . . . A 2 ALA HB2 . 25137 1 9 . 1 1 2 2 ALA HB3 H 1 1.4030 0.0000 . 1 . . . A 2 ALA HB3 . 25137 1 10 . 1 1 2 2 ALA C C 13 177.8112 0.0000 . 1 . . . A 2 ALA C . 25137 1 11 . 1 1 2 2 ALA CA C 13 52.6516 0.0000 . 1 . 17947 . A 2 ALA CA . 25137 1 12 . 1 1 2 2 ALA CB C 13 19.4882 0.0000 . 1 . 17948 . A 2 ALA CB . 25137 1 13 . 1 1 2 2 ALA N N 15 123.4233 0.0000 . 1 . 11345 . A 2 ALA N . 25137 1 14 . 1 1 3 3 MET H H 1 8.5700 0.0000 . 1 . 11628 . A 3 MET H . 25137 1 15 . 1 1 3 3 MET HA H 1 4.4816 0.0000 . 1 . . . A 3 MET HA . 25137 1 16 . 1 1 3 3 MET HB2 H 1 2.1100 0.0000 . 2 . . . A 3 MET HB2 . 25137 1 17 . 1 1 3 3 MET HB3 H 1 2.0300 0.0000 . 2 . . . A 3 MET HB3 . 25137 1 18 . 1 1 3 3 MET HG2 H 1 2.6200 0.0000 . 2 . . . A 3 MET HG2 . 25137 1 19 . 1 1 3 3 MET HG3 H 1 2.5400 0.0000 . 2 . . . A 3 MET HG3 . 25137 1 20 . 1 1 3 3 MET HE1 H 1 2.0700 0.0000 . 1 . . . A 3 MET HE1 . 25137 1 21 . 1 1 3 3 MET HE2 H 1 2.0700 0.0000 . 1 . . . A 3 MET HE2 . 25137 1 22 . 1 1 3 3 MET HE3 H 1 2.0700 0.0000 . 1 . . . A 3 MET HE3 . 25137 1 23 . 1 1 3 3 MET C C 13 176.5691 0.0000 . 1 . . . A 3 MET C . 25137 1 24 . 1 1 3 3 MET CA C 13 55.5700 0.0000 . 1 . 10561 . A 3 MET CA . 25137 1 25 . 1 1 3 3 MET CB C 13 32.9000 0.0000 . 1 . . . A 3 MET CB . 25137 1 26 . 1 1 3 3 MET CG C 13 32.2000 0.0000 . 1 . . . A 3 MET CG . 25137 1 27 . 1 1 3 3 MET CE C 13 16.9000 0.0000 . 1 . . . A 3 MET CE . 25137 1 28 . 1 1 3 3 MET N N 15 119.3900 0.0000 . 1 . 11630 . A 3 MET N . 25137 1 29 . 1 1 4 4 GLY H H 1 8.3700 0.0000 . 1 . 12483 . A 4 GLY H . 25137 1 30 . 1 1 4 4 GLY HA2 H 1 3.9400 0.0000 . 2 . . . A 4 GLY HA2 . 25137 1 31 . 1 1 4 4 GLY HA3 H 1 3.8490 0.0000 . 2 . . . A 4 GLY HA3 . 25137 1 32 . 1 1 4 4 GLY C C 13 173.6302 0.0000 . 1 . . . A 4 GLY C . 25137 1 33 . 1 1 4 4 GLY CA C 13 45.2700 0.0000 . 1 . 17968 . A 4 GLY CA . 25137 1 34 . 1 1 4 4 GLY N N 15 110.1300 0.0000 . 1 . 12485 . A 4 GLY N . 25137 1 35 . 1 1 5 5 MET H H 1 8.2100 0.0000 . 1 . 11643 . A 5 MET H . 25137 1 36 . 1 1 5 5 MET HA H 1 4.7800 0.0000 . 1 . 79464 . A 5 MET HA . 25137 1 37 . 1 1 5 5 MET HB2 H 1 1.9770 0.0000 . 2 . 78708 . A 5 MET HB2 . 25137 1 38 . 1 1 5 5 MET HB3 H 1 2.0728 0.0000 . 2 . 78708 . A 5 MET HB3 . 25137 1 39 . 1 1 5 5 MET HG2 H 1 2.5200 0.0000 . 2 . . . A 5 MET HG2 . 25137 1 40 . 1 1 5 5 MET HG3 H 1 2.6600 0.0000 . 2 . . . A 5 MET HG3 . 25137 1 41 . 1 1 5 5 MET HE1 H 1 2.0408 0.0000 . 1 . . . A 5 MET HE1 . 25137 1 42 . 1 1 5 5 MET HE2 H 1 2.0408 0.0000 . 1 . . . A 5 MET HE2 . 25137 1 43 . 1 1 5 5 MET HE3 H 1 2.0408 0.0000 . 1 . . . A 5 MET HE3 . 25137 1 44 . 1 1 5 5 MET CA C 13 53.6300 0.0000 . 1 . 17969 . A 5 MET CA . 25137 1 45 . 1 1 5 5 MET CB C 13 33.1400 0.0000 . 1 . 17104 . A 5 MET CB . 25137 1 46 . 1 1 5 5 MET CG C 13 32.0600 0.0000 . 1 . . . A 5 MET CG . 25137 1 47 . 1 1 5 5 MET CE C 13 17.3920 0.0000 . 1 . . . A 5 MET CE . 25137 1 48 . 1 1 5 5 MET N N 15 121.5700 0.0000 . 1 . 11645 . A 5 MET N . 25137 1 49 . 1 1 6 6 PRO HA H 1 4.5050 0.0000 . 1 . . . A 6 PRO HA . 25137 1 50 . 1 1 6 6 PRO HB2 H 1 1.5410 0.0000 . 2 . 78744 . A 6 PRO HB2 . 25137 1 51 . 1 1 6 6 PRO HB3 H 1 2.1934 0.0000 . 2 . . . A 6 PRO HB3 . 25137 1 52 . 1 1 6 6 PRO HG2 H 1 2.0100 0.0000 . 2 . 75495 . A 6 PRO HG2 . 25137 1 53 . 1 1 6 6 PRO HG3 H 1 1.9700 0.0000 . 2 . 75495 . A 6 PRO HG3 . 25137 1 54 . 1 1 6 6 PRO HD2 H 1 3.6830 0.0000 . 2 . 75468 . A 6 PRO HD2 . 25137 1 55 . 1 1 6 6 PRO HD3 H 1 3.8873 0.0000 . 2 . 73269 . A 6 PRO HD3 . 25137 1 56 . 1 1 6 6 PRO C C 13 174.5200 0.0000 . 1 . . . A 6 PRO C . 25137 1 57 . 1 1 6 6 PRO CA C 13 62.9800 0.0000 . 1 . . . A 6 PRO CA . 25137 1 58 . 1 1 6 6 PRO CB C 13 32.4000 0.0000 . 1 . 10111 . A 6 PRO CB . 25137 1 59 . 1 1 6 6 PRO CG C 13 28.1500 0.0000 . 1 . . . A 6 PRO CG . 25137 1 60 . 1 1 6 6 PRO CD C 13 50.6000 0.0000 . 1 . . . A 6 PRO CD . 25137 1 61 . 1 1 7 7 LYS H H 1 9.6745 0.0000 . 1 . 11367 . A 7 LYS H . 25137 1 62 . 1 1 7 7 LYS HA H 1 5.0002 0.0000 . 1 . 72459 . A 7 LYS HA . 25137 1 63 . 1 1 7 7 LYS HB2 H 1 1.7550 0.0000 . 2 . 75147 . A 7 LYS HB2 . 25137 1 64 . 1 1 7 7 LYS HB3 H 1 1.7640 0.0000 . 2 . . . A 7 LYS HB3 . 25137 1 65 . 1 1 7 7 LYS HG2 H 1 1.3200 0.0000 . 2 . 75156 . A 7 LYS HG2 . 25137 1 66 . 1 1 7 7 LYS HG3 H 1 1.3210 0.0000 . 2 . . . A 7 LYS HG3 . 25137 1 67 . 1 1 7 7 LYS HD2 H 1 1.5750 0.0000 . 2 . 78786 . A 7 LYS HD2 . 25137 1 68 . 1 1 7 7 LYS HD3 H 1 1.5670 0.0000 . 2 . . . A 7 LYS HD3 . 25137 1 69 . 1 1 7 7 LYS HE2 H 1 2.9070 0.0000 . 2 . 75132 . A 7 LYS HE2 . 25137 1 70 . 1 1 7 7 LYS HE3 H 1 2.9040 0.0000 . 2 . . . A 7 LYS HE3 . 25137 1 71 . 1 1 7 7 LYS C C 13 175.9200 0.0000 . 1 . . . A 7 LYS C . 25137 1 72 . 1 1 7 7 LYS CA C 13 54.9114 0.0000 . 1 . 9976 . A 7 LYS CA . 25137 1 73 . 1 1 7 7 LYS CB C 13 33.6351 0.0000 . 1 . 11188 . A 7 LYS CB . 25137 1 74 . 1 1 7 7 LYS CG C 13 25.0840 0.0000 . 1 . . . A 7 LYS CG . 25137 1 75 . 1 1 7 7 LYS CD C 13 28.8240 0.0000 . 1 . . . A 7 LYS CD . 25137 1 76 . 1 1 7 7 LYS CE C 13 42.0160 0.0000 . 1 . . . A 7 LYS CE . 25137 1 77 . 1 1 7 7 LYS N N 15 123.4427 0.0000 . 1 . 11369 . A 7 LYS N . 25137 1 78 . 1 1 8 8 VAL H H 1 8.8506 0.0000 . 1 . 11187 . A 8 VAL H . 25137 1 79 . 1 1 8 8 VAL HA H 1 4.7235 0.0000 . 1 . 72027 . A 8 VAL HA . 25137 1 80 . 1 1 8 8 VAL HB H 1 1.2416 0.0000 . 1 . 71754 . A 8 VAL HB . 25137 1 81 . 1 1 8 8 VAL HG11 H 1 -0.3003 0.0000 . 2 . 71766 . A 8 VAL HG11 . 25137 1 82 . 1 1 8 8 VAL HG12 H 1 -0.3003 0.0000 . 2 . 71766 . A 8 VAL HG12 . 25137 1 83 . 1 1 8 8 VAL HG13 H 1 -0.3003 0.0000 . 2 . 71766 . A 8 VAL HG13 . 25137 1 84 . 1 1 8 8 VAL HG21 H 1 0.2407 0.0000 . 2 . 71766 . A 8 VAL HG21 . 25137 1 85 . 1 1 8 8 VAL HG22 H 1 0.2407 0.0000 . 2 . 71766 . A 8 VAL HG22 . 25137 1 86 . 1 1 8 8 VAL HG23 H 1 0.2407 0.0000 . 2 . 71766 . A 8 VAL HG23 . 25137 1 87 . 1 1 8 8 VAL C C 13 174.6300 0.0000 . 1 . . . A 8 VAL C . 25137 1 88 . 1 1 8 8 VAL CA C 13 59.7259 0.0000 . 1 . 9736 . A 8 VAL CA . 25137 1 89 . 1 1 8 8 VAL CB C 13 34.9909 0.0000 . 1 . 9790 . A 8 VAL CB . 25137 1 90 . 1 1 8 8 VAL CG1 C 13 19.2798 0.0000 . 2 . . . A 8 VAL CG1 . 25137 1 91 . 1 1 8 8 VAL CG2 C 13 20.2700 0.0000 . 2 . . . A 8 VAL CG2 . 25137 1 92 . 1 1 8 8 VAL N N 15 125.8591 0.0000 . 1 . 11189 . A 8 VAL N . 25137 1 93 . 1 1 9 9 LEU H H 1 7.8815 0.0000 . 1 . 9798 . A 9 LEU H . 25137 1 94 . 1 1 9 9 LEU HA H 1 5.1897 0.0000 . 1 . 79464 . A 9 LEU HA . 25137 1 95 . 1 1 9 9 LEU HB2 H 1 1.6438 0.0000 . 2 . 78612 . A 9 LEU HB2 . 25137 1 96 . 1 1 9 9 LEU HB3 H 1 1.2173 0.0000 . 2 . . . A 9 LEU HB3 . 25137 1 97 . 1 1 9 9 LEU HG H 1 1.2839 0.0000 . 1 . . . A 9 LEU HG . 25137 1 98 . 1 1 9 9 LEU HD11 H 1 0.7610 0.0000 . 2 . . . A 9 LEU HD11 . 25137 1 99 . 1 1 9 9 LEU HD12 H 1 0.7610 0.0000 . 2 . . . A 9 LEU HD12 . 25137 1 100 . 1 1 9 9 LEU HD13 H 1 0.7610 0.0000 . 2 . . . A 9 LEU HD13 . 25137 1 101 . 1 1 9 9 LEU HD21 H 1 0.6430 0.0000 . 2 . . . A 9 LEU HD21 . 25137 1 102 . 1 1 9 9 LEU HD22 H 1 0.6430 0.0000 . 2 . . . A 9 LEU HD22 . 25137 1 103 . 1 1 9 9 LEU HD23 H 1 0.6430 0.0000 . 2 . . . A 9 LEU HD23 . 25137 1 104 . 1 1 9 9 LEU C C 13 174.0900 0.0000 . 1 . . . A 9 LEU C . 25137 1 105 . 1 1 9 9 LEU CA C 13 53.0895 0.0000 . 1 . 11140 . A 9 LEU CA . 25137 1 106 . 1 1 9 9 LEU CB C 13 45.0070 0.0000 . 1 . 9778 . A 9 LEU CB . 25137 1 107 . 1 1 9 9 LEU CG C 13 27.8321 0.0000 . 1 . . . A 9 LEU CG . 25137 1 108 . 1 1 9 9 LEU CD1 C 13 23.7020 0.0000 . 2 . . . A 9 LEU CD1 . 25137 1 109 . 1 1 9 9 LEU CD2 C 13 26.0700 0.0000 . 2 . . . A 9 LEU CD2 . 25137 1 110 . 1 1 9 9 LEU N N 15 127.1135 0.0000 . 1 . 9800 . A 9 LEU N . 25137 1 111 . 1 1 10 10 VAL H H 1 8.9518 0.0000 . 1 . 11145 . A 10 VAL H . 25137 1 112 . 1 1 10 10 VAL HA H 1 4.6474 0.0000 . 1 . 79014 . A 10 VAL HA . 25137 1 113 . 1 1 10 10 VAL HB H 1 1.8550 0.0000 . 1 . . . A 10 VAL HB . 25137 1 114 . 1 1 10 10 VAL HG11 H 1 0.9789 0.0000 . 2 . . . A 10 VAL HG11 . 25137 1 115 . 1 1 10 10 VAL HG12 H 1 0.9789 0.0000 . 2 . . . A 10 VAL HG12 . 25137 1 116 . 1 1 10 10 VAL HG13 H 1 0.9789 0.0000 . 2 . . . A 10 VAL HG13 . 25137 1 117 . 1 1 10 10 VAL HG21 H 1 0.7270 0.0000 . 2 . . . A 10 VAL HG21 . 25137 1 118 . 1 1 10 10 VAL HG22 H 1 0.7270 0.0000 . 2 . . . A 10 VAL HG22 . 25137 1 119 . 1 1 10 10 VAL HG23 H 1 0.7270 0.0000 . 2 . . . A 10 VAL HG23 . 25137 1 120 . 1 1 10 10 VAL C C 13 172.9000 0.0000 . 1 . . . A 10 VAL C . 25137 1 121 . 1 1 10 10 VAL CA C 13 61.2057 0.0000 . 1 . 9676 . A 10 VAL CA . 25137 1 122 . 1 1 10 10 VAL CB C 13 34.5415 0.0000 . 1 . 9709 . A 10 VAL CB . 25137 1 123 . 1 1 10 10 VAL CG1 C 13 21.7000 0.0000 . 2 . . . A 10 VAL CG1 . 25137 1 124 . 1 1 10 10 VAL CG2 C 13 22.1520 0.0000 . 2 . . . A 10 VAL CG2 . 25137 1 125 . 1 1 10 10 VAL N N 15 128.0244 0.0000 . 1 . 11147 . A 10 VAL N . 25137 1 126 . 1 1 11 11 LEU H H 1 8.4334 0.0000 . 1 . 9678 . A 11 LEU H . 25137 1 127 . 1 1 11 11 LEU HA H 1 5.5041 0.0000 . 1 . 73170 . A 11 LEU HA . 25137 1 128 . 1 1 11 11 LEU HB2 H 1 0.8500 0.0000 . 2 . . . A 11 LEU HB2 . 25137 1 129 . 1 1 11 11 LEU HB3 H 1 2.1000 0.0000 . 2 . . . A 11 LEU HB3 . 25137 1 130 . 1 1 11 11 LEU HG H 1 0.8500 0.0000 . 1 . . . A 11 LEU HG . 25137 1 131 . 1 1 11 11 LEU HD11 H 1 0.5100 0.0000 . 2 . . . A 11 LEU HD11 . 25137 1 132 . 1 1 11 11 LEU HD12 H 1 0.5100 0.0000 . 2 . . . A 11 LEU HD12 . 25137 1 133 . 1 1 11 11 LEU HD13 H 1 0.5100 0.0000 . 2 . . . A 11 LEU HD13 . 25137 1 134 . 1 1 11 11 LEU HD21 H 1 0.4990 0.0000 . 2 . 76932 . A 11 LEU HD21 . 25137 1 135 . 1 1 11 11 LEU HD22 H 1 0.4990 0.0000 . 2 . 76932 . A 11 LEU HD22 . 25137 1 136 . 1 1 11 11 LEU HD23 H 1 0.4990 0.0000 . 2 . 76932 . A 11 LEU HD23 . 25137 1 137 . 1 1 11 11 LEU C C 13 174.4500 0.0000 . 1 . . . A 11 LEU C . 25137 1 138 . 1 1 11 11 LEU CA C 13 52.3277 0.0000 . 1 . 9691 . A 11 LEU CA . 25137 1 139 . 1 1 11 11 LEU CB C 13 45.0000 0.0000 . 1 . 9703 . A 11 LEU CB . 25137 1 140 . 1 1 11 11 LEU CG C 13 28.3000 0.0000 . 1 . . . A 11 LEU CG . 25137 1 141 . 1 1 11 11 LEU CD1 C 13 23.3000 0.0000 . 2 . . . A 11 LEU CD1 . 25137 1 142 . 1 1 11 11 LEU CD2 C 13 22.7800 0.0000 . 2 . . . A 11 LEU CD2 . 25137 1 143 . 1 1 11 11 LEU N N 15 128.9790 0.0000 . 1 . 9680 . A 11 LEU N . 25137 1 144 . 1 1 12 12 GLU H H 1 8.5324 0.0000 . 1 . 11142 . A 12 GLU H . 25137 1 145 . 1 1 12 12 GLU HA H 1 4.2940 0.0000 . 1 . . . A 12 GLU HA . 25137 1 146 . 1 1 12 12 GLU HB2 H 1 2.4898 0.0000 . 2 . 75087 . A 12 GLU HB2 . 25137 1 147 . 1 1 12 12 GLU HB3 H 1 1.4384 0.0000 . 2 . . . A 12 GLU HB3 . 25137 1 148 . 1 1 12 12 GLU HG2 H 1 2.0340 0.0000 . 2 . 78678 . A 12 GLU HG2 . 25137 1 149 . 1 1 12 12 GLU HG3 H 1 2.3350 0.0000 . 2 . . . A 12 GLU HG3 . 25137 1 150 . 1 1 12 12 GLU C C 13 173.1200 0.0000 . 1 . . . A 12 GLU C . 25137 1 151 . 1 1 12 12 GLU CA C 13 56.9639 0.0000 . 1 . 9682 . A 12 GLU CA . 25137 1 152 . 1 1 12 12 GLU CB C 13 32.2007 0.0000 . 1 . 9715 . A 12 GLU CB . 25137 1 153 . 1 1 12 12 GLU CG C 13 37.6360 0.0000 . 1 . . . A 12 GLU CG . 25137 1 154 . 1 1 12 12 GLU N N 15 128.1579 0.0000 . 1 . 11144 . A 12 GLU N . 25137 1 155 . 1 1 13 13 ASP H H 1 8.8032 0.0000 . 1 . . . A 13 ASP H . 25137 1 156 . 1 1 13 13 ASP HA H 1 4.6590 0.0000 . 1 . . . A 13 ASP HA . 25137 1 157 . 1 1 13 13 ASP HB2 H 1 2.8060 0.0000 . 2 . . . A 13 ASP HB2 . 25137 1 158 . 1 1 13 13 ASP HB3 H 1 2.6900 0.0000 . 2 . . . A 13 ASP HB3 . 25137 1 159 . 1 1 13 13 ASP C C 13 176.0900 0.0000 . 1 . . . A 13 ASP C . 25137 1 160 . 1 1 13 13 ASP CA C 13 55.1400 0.0000 . 1 . . . A 13 ASP CA . 25137 1 161 . 1 1 13 13 ASP CB C 13 40.5244 0.0000 . 1 . 10072 . A 13 ASP CB . 25137 1 162 . 1 1 13 13 ASP N N 15 123.0769 0.0000 . 1 . . . A 13 ASP N . 25137 1 163 . 1 1 14 14 GLU H H 1 10.0770 0.0000 . 1 . 11172 . A 14 GLU H . 25137 1 164 . 1 1 14 14 GLU HA H 1 4.8085 0.0000 . 1 . 79464 . A 14 GLU HA . 25137 1 165 . 1 1 14 14 GLU HB2 H 1 2.0920 0.0000 . 2 . 78780 . A 14 GLU HB2 . 25137 1 166 . 1 1 14 14 GLU HB3 H 1 2.0920 0.0000 . 2 . 78780 . A 14 GLU HB3 . 25137 1 167 . 1 1 14 14 GLU HG2 H 1 2.3014 0.0000 . 2 . 78678 . A 14 GLU HG2 . 25137 1 168 . 1 1 14 14 GLU HG3 H 1 2.2114 0.0000 . 2 . 78678 . A 14 GLU HG3 . 25137 1 169 . 1 1 14 14 GLU CA C 13 54.5744 0.0000 . 1 . 9739 . A 14 GLU CA . 25137 1 170 . 1 1 14 14 GLU CB C 13 29.3100 0.0000 . 1 . . . A 14 GLU CB . 25137 1 171 . 1 1 14 14 GLU CG C 13 37.3834 0.0000 . 1 . . . A 14 GLU CG . 25137 1 172 . 1 1 14 14 GLU N N 15 126.6854 0.0000 . 1 . 11174 . A 14 GLU N . 25137 1 173 . 1 1 15 15 PRO HA H 1 4.2730 0.0000 . 1 . . . A 15 PRO HA . 25137 1 174 . 1 1 15 15 PRO HB2 H 1 1.9500 0.0000 . 2 . 78723 . A 15 PRO HB2 . 25137 1 175 . 1 1 15 15 PRO HB3 H 1 2.3600 0.0000 . 2 . . . A 15 PRO HB3 . 25137 1 176 . 1 1 15 15 PRO HG2 H 1 2.0770 0.0000 . 2 . 78804 . A 15 PRO HG2 . 25137 1 177 . 1 1 15 15 PRO HG3 H 1 2.0470 0.0000 . 2 . . . A 15 PRO HG3 . 25137 1 178 . 1 1 15 15 PRO HD2 H 1 3.9800 0.0000 . 2 . 76158 . A 15 PRO HD2 . 25137 1 179 . 1 1 15 15 PRO HD3 H 1 4.2700 0.0000 . 2 . 76158 . A 15 PRO HD3 . 25137 1 180 . 1 1 15 15 PRO C C 13 179.1100 0.0000 . 1 . . . A 15 PRO C . 25137 1 181 . 1 1 15 15 PRO CA C 13 65.4722 0.0000 . 1 . 10489 . A 15 PRO CA . 25137 1 182 . 1 1 15 15 PRO CB C 13 32.4619 0.0000 . 1 . 10654 . A 15 PRO CB . 25137 1 183 . 1 1 15 15 PRO CG C 13 27.3780 0.0000 . 1 . . . A 15 PRO CG . 25137 1 184 . 1 1 15 15 PRO CD C 13 51.6600 0.0000 . 1 . . . A 15 PRO CD . 25137 1 185 . 1 1 16 16 LEU H H 1 8.8514 0.0000 . 1 . 11559 . A 16 LEU H . 25137 1 186 . 1 1 16 16 LEU HA H 1 4.1310 0.0000 . 1 . . . A 16 LEU HA . 25137 1 187 . 1 1 16 16 LEU HB2 H 1 1.7351 0.0000 . 2 . 78645 . A 16 LEU HB2 . 25137 1 188 . 1 1 16 16 LEU HB3 H 1 1.5982 0.0000 . 2 . . . A 16 LEU HB3 . 25137 1 189 . 1 1 16 16 LEU HG H 1 1.6639 0.0000 . 1 . . . A 16 LEU HG . 25137 1 190 . 1 1 16 16 LEU HD11 H 1 0.9000 0.0000 . 2 . . . A 16 LEU HD11 . 25137 1 191 . 1 1 16 16 LEU HD12 H 1 0.9000 0.0000 . 2 . . . A 16 LEU HD12 . 25137 1 192 . 1 1 16 16 LEU HD13 H 1 0.9000 0.0000 . 2 . . . A 16 LEU HD13 . 25137 1 193 . 1 1 16 16 LEU HD21 H 1 0.9240 0.0000 . 2 . 74376 . A 16 LEU HD21 . 25137 1 194 . 1 1 16 16 LEU HD22 H 1 0.9240 0.0000 . 2 . 74376 . A 16 LEU HD22 . 25137 1 195 . 1 1 16 16 LEU HD23 H 1 0.9240 0.0000 . 2 . 74376 . A 16 LEU HD23 . 25137 1 196 . 1 1 16 16 LEU C C 13 179.2600 0.0000 . 1 . . . A 16 LEU C . 25137 1 197 . 1 1 16 16 LEU CA C 13 58.3061 0.0000 . 1 . 10519 . A 16 LEU CA . 25137 1 198 . 1 1 16 16 LEU CB C 13 41.7312 0.0000 . 1 . 11740 . A 16 LEU CB . 25137 1 199 . 1 1 16 16 LEU CG C 13 27.3072 0.0000 . 1 . . . A 16 LEU CG . 25137 1 200 . 1 1 16 16 LEU CD1 C 13 24.2020 0.0000 . 2 . . . A 16 LEU CD1 . 25137 1 201 . 1 1 16 16 LEU CD2 C 13 24.4000 0.0000 . 2 . . . A 16 LEU CD2 . 25137 1 202 . 1 1 16 16 LEU N N 15 118.3583 0.0000 . 1 . 11561 . A 16 LEU N . 25137 1 203 . 1 1 17 17 ILE H H 1 6.8860 0.0000 . 1 . 11739 . A 17 ILE H . 25137 1 204 . 1 1 17 17 ILE HA H 1 3.8320 0.0000 . 1 . . . A 17 ILE HA . 25137 1 205 . 1 1 17 17 ILE HB H 1 1.8550 0.0000 . 1 . . . A 17 ILE HB . 25137 1 206 . 1 1 17 17 ILE HG12 H 1 1.5360 0.0000 . 2 . . . A 17 ILE HG12 . 25137 1 207 . 1 1 17 17 ILE HG13 H 1 1.2170 0.0000 . 2 . . . A 17 ILE HG13 . 25137 1 208 . 1 1 17 17 ILE HG21 H 1 0.9650 0.0000 . 1 . 78162 . A 17 ILE HG21 . 25137 1 209 . 1 1 17 17 ILE HG22 H 1 0.9650 0.0000 . 1 . 78162 . A 17 ILE HG22 . 25137 1 210 . 1 1 17 17 ILE HG23 H 1 0.9650 0.0000 . 1 . 78162 . A 17 ILE HG23 . 25137 1 211 . 1 1 17 17 ILE HD11 H 1 0.7870 0.0000 . 1 . . . A 17 ILE HD11 . 25137 1 212 . 1 1 17 17 ILE HD12 H 1 0.7870 0.0000 . 1 . . . A 17 ILE HD12 . 25137 1 213 . 1 1 17 17 ILE HD13 H 1 0.7870 0.0000 . 1 . . . A 17 ILE HD13 . 25137 1 214 . 1 1 17 17 ILE C C 13 178.2300 0.0000 . 1 . . . A 17 ILE C . 25137 1 215 . 1 1 17 17 ILE CA C 13 63.3445 0.0000 . 1 . 10720 . A 17 ILE CA . 25137 1 216 . 1 1 17 17 ILE CB C 13 36.5636 0.0000 . 1 . 10792 . A 17 ILE CB . 25137 1 217 . 1 1 17 17 ILE CG1 C 13 27.8350 0.0000 . 1 . . . A 17 ILE CG1 . 25137 1 218 . 1 1 17 17 ILE CG2 C 13 17.1810 0.0000 . 1 . . . A 17 ILE CG2 . 25137 1 219 . 1 1 17 17 ILE CD1 C 13 12.2690 0.0000 . 1 . . . A 17 ILE CD1 . 25137 1 220 . 1 1 17 17 ILE N N 15 117.6801 0.0000 . 1 . 11741 . A 17 ILE N . 25137 1 221 . 1 1 18 18 ALA H H 1 7.9877 0.0000 . 1 . 11259 . A 18 ALA H . 25137 1 222 . 1 1 18 18 ALA HA H 1 3.7200 0.0000 . 1 . . . A 18 ALA HA . 25137 1 223 . 1 1 18 18 ALA HB1 H 1 1.3290 0.0000 . 1 . . . A 18 ALA HB1 . 25137 1 224 . 1 1 18 18 ALA HB2 H 1 1.3290 0.0000 . 1 . . . A 18 ALA HB2 . 25137 1 225 . 1 1 18 18 ALA HB3 H 1 1.3290 0.0000 . 1 . . . A 18 ALA HB3 . 25137 1 226 . 1 1 18 18 ALA C C 13 178.9000 0.0000 . 1 . . . A 18 ALA C . 25137 1 227 . 1 1 18 18 ALA CA C 13 55.8900 0.0000 . 1 . . . A 18 ALA CA . 25137 1 228 . 1 1 18 18 ALA CB C 13 18.1647 0.0000 . 1 . 10927 . A 18 ALA CB . 25137 1 229 . 1 1 18 18 ALA N N 15 122.3209 0.0000 . 1 . 11261 . A 18 ALA N . 25137 1 230 . 1 1 19 19 MET H H 1 8.2035 0.0000 . 1 . 11772 . A 19 MET H . 25137 1 231 . 1 1 19 19 MET HA H 1 3.9990 0.0000 . 1 . . . A 19 MET HA . 25137 1 232 . 1 1 19 19 MET HB2 H 1 2.0728 0.0000 . 2 . 75021 . A 19 MET HB2 . 25137 1 233 . 1 1 19 19 MET HB3 H 1 2.0021 0.0000 . 2 . 75021 . A 19 MET HB3 . 25137 1 234 . 1 1 19 19 MET HG2 H 1 2.3500 0.0000 . 2 . . . A 19 MET HG2 . 25137 1 235 . 1 1 19 19 MET HG3 H 1 2.4250 0.0000 . 2 . . . A 19 MET HG3 . 25137 1 236 . 1 1 19 19 MET HE1 H 1 2.0350 0.0000 . 1 . . . A 19 MET HE1 . 25137 1 237 . 1 1 19 19 MET HE2 H 1 2.0350 0.0000 . 1 . . . A 19 MET HE2 . 25137 1 238 . 1 1 19 19 MET HE3 H 1 2.0350 0.0000 . 1 . . . A 19 MET HE3 . 25137 1 239 . 1 1 19 19 MET C C 13 177.1800 0.0000 . 1 . . . A 19 MET C . 25137 1 240 . 1 1 19 19 MET CA C 13 58.1436 0.0000 . 1 . 10837 . A 19 MET CA . 25137 1 241 . 1 1 19 19 MET CB C 13 32.8517 0.0000 . 1 . 10906 . A 19 MET CB . 25137 1 242 . 1 1 19 19 MET CG C 13 31.9000 0.0000 . 1 . . . A 19 MET CG . 25137 1 243 . 1 1 19 19 MET CE C 13 17.2000 0.0000 . 1 . . . A 19 MET CE . 25137 1 244 . 1 1 19 19 MET N N 15 115.8067 0.0000 . 1 . 11774 . A 19 MET N . 25137 1 245 . 1 1 20 20 ASN H H 1 7.8391 0.0000 . 1 . 11742 . A 20 ASN H . 25137 1 246 . 1 1 20 20 ASN HA H 1 4.5450 0.0000 . 1 . . . A 20 ASN HA . 25137 1 247 . 1 1 20 20 ASN HB2 H 1 2.9840 0.0000 . 2 . . . A 20 ASN HB2 . 25137 1 248 . 1 1 20 20 ASN HB3 H 1 2.8950 0.0000 . 2 . . . A 20 ASN HB3 . 25137 1 249 . 1 1 20 20 ASN HD21 H 1 7.5309 0.0000 . 2 . . . A 20 ASN HD21 . 25137 1 250 . 1 1 20 20 ASN HD22 H 1 6.8374 0.0000 . 2 . . . A 20 ASN HD22 . 25137 1 251 . 1 1 20 20 ASN C C 13 179.5900 0.0000 . 1 . . . A 20 ASN C . 25137 1 252 . 1 1 20 20 ASN CA C 13 56.2218 0.0000 . 1 . 10759 . A 20 ASN CA . 25137 1 253 . 1 1 20 20 ASN CB C 13 38.0054 0.0000 . 1 . 10789 . A 20 ASN CB . 25137 1 254 . 1 1 20 20 ASN N N 15 117.8428 0.0000 . 1 . 11744 . A 20 ASN N . 25137 1 255 . 1 1 20 20 ASN ND2 N 15 110.9032 0.0000 . 1 . . . A 20 ASN ND2 . 25137 1 256 . 1 1 21 21 LEU H H 1 8.6011 0.0000 . 1 . 11532 . A 21 LEU H . 25137 1 257 . 1 1 21 21 LEU HA H 1 4.0550 0.0000 . 1 . . . A 21 LEU HA . 25137 1 258 . 1 1 21 21 LEU HB2 H 1 1.4308 0.0000 . 2 . . . A 21 LEU HB2 . 25137 1 259 . 1 1 21 21 LEU HB3 H 1 2.1569 0.0000 . 2 . . . A 21 LEU HB3 . 25137 1 260 . 1 1 21 21 LEU HG H 1 1.8300 0.0000 . 1 . . . A 21 LEU HG . 25137 1 261 . 1 1 21 21 LEU HD11 H 1 0.9690 0.0000 . 2 . . . A 21 LEU HD11 . 25137 1 262 . 1 1 21 21 LEU HD12 H 1 0.9690 0.0000 . 2 . . . A 21 LEU HD12 . 25137 1 263 . 1 1 21 21 LEU HD13 H 1 0.9690 0.0000 . 2 . . . A 21 LEU HD13 . 25137 1 264 . 1 1 21 21 LEU HD21 H 1 0.7870 0.0000 . 2 . . . A 21 LEU HD21 . 25137 1 265 . 1 1 21 21 LEU HD22 H 1 0.7870 0.0000 . 2 . . . A 21 LEU HD22 . 25137 1 266 . 1 1 21 21 LEU HD23 H 1 0.7870 0.0000 . 2 . . . A 21 LEU HD23 . 25137 1 267 . 1 1 21 21 LEU C C 13 177.7500 0.0000 . 1 . . . A 21 LEU C . 25137 1 268 . 1 1 21 21 LEU CA C 13 58.2678 0.0000 . 1 . 10228 . A 21 LEU CA . 25137 1 269 . 1 1 21 21 LEU CB C 13 42.6049 0.0000 . 1 . 10348 . A 21 LEU CB . 25137 1 270 . 1 1 21 21 LEU CG C 13 27.4300 0.0000 . 1 . . . A 21 LEU CG . 25137 1 271 . 1 1 21 21 LEU CD1 C 13 27.1220 0.0000 . 2 . . . A 21 LEU CD1 . 25137 1 272 . 1 1 21 21 LEU CD2 C 13 24.2480 0.0000 . 2 . . . A 21 LEU CD2 . 25137 1 273 . 1 1 21 21 LEU N N 15 121.7487 0.0000 . 1 . 11534 . A 21 LEU N . 25137 1 274 . 1 1 22 22 GLN H H 1 8.7492 0.0000 . 1 . 10230 . A 22 GLN H . 25137 1 275 . 1 1 22 22 GLN HA H 1 3.9350 0.0000 . 1 . . . A 22 GLN HA . 25137 1 276 . 1 1 22 22 GLN HB2 H 1 1.9811 0.0000 . 2 . 76170 . A 22 GLN HB2 . 25137 1 277 . 1 1 22 22 GLN HB3 H 1 2.2642 0.0000 . 2 . . . A 22 GLN HB3 . 25137 1 278 . 1 1 22 22 GLN HG2 H 1 2.0288 0.0000 . 2 . 79935 . A 22 GLN HG2 . 25137 1 279 . 1 1 22 22 GLN HG3 H 1 2.0888 0.0000 . 2 . 76104 . A 22 GLN HG3 . 25137 1 280 . 1 1 22 22 GLN HE21 H 1 6.4402 0.0000 . 2 . . . A 22 GLN HE21 . 25137 1 281 . 1 1 22 22 GLN HE22 H 1 7.7523 0.0000 . 2 . . . A 22 GLN HE22 . 25137 1 282 . 1 1 22 22 GLN C C 13 178.0700 0.0000 . 1 . . . A 22 GLN C . 25137 1 283 . 1 1 22 22 GLN CA C 13 60.4634 0.0000 . 1 . 10201 . A 22 GLN CA . 25137 1 284 . 1 1 22 22 GLN CB C 13 26.9025 0.0000 . 1 . 10465 . A 22 GLN CB . 25137 1 285 . 1 1 22 22 GLN CG C 13 32.1680 0.0000 . 1 . . . A 22 GLN CG . 25137 1 286 . 1 1 22 22 GLN N N 15 120.9912 0.0000 . 1 . 10232 . A 22 GLN N . 25137 1 287 . 1 1 22 22 GLN NE2 N 15 109.5219 0.0000 . 1 . . . A 22 GLN NE2 . 25137 1 288 . 1 1 23 23 TYR H H 1 8.4496 0.0000 . 1 . 11703 . A 23 TYR H . 25137 1 289 . 1 1 23 23 TYR HA H 1 4.5170 0.0000 . 1 . 79314 . A 23 TYR HA . 25137 1 290 . 1 1 23 23 TYR HB2 H 1 3.2940 0.0000 . 2 . . . A 23 TYR HB2 . 25137 1 291 . 1 1 23 23 TYR HB3 H 1 3.0730 0.0000 . 2 . . . A 23 TYR HB3 . 25137 1 292 . 1 1 23 23 TYR HD1 H 1 7.1650 0.0000 . 3 . . . A 23 TYR HD1 . 25137 1 293 . 1 1 23 23 TYR HD2 H 1 7.1650 0.0000 . 3 . . . A 23 TYR HD2 . 25137 1 294 . 1 1 23 23 TYR HE1 H 1 6.8088 0.0000 . 3 . . . A 23 TYR HE1 . 25137 1 295 . 1 1 23 23 TYR HE2 H 1 6.8088 0.0000 . 3 . . . A 23 TYR HE2 . 25137 1 296 . 1 1 23 23 TYR C C 13 178.2100 0.0000 . 1 . . . A 23 TYR C . 25137 1 297 . 1 1 23 23 TYR CA C 13 59.4252 0.0000 . 1 . 10729 . A 23 TYR CA . 25137 1 298 . 1 1 23 23 TYR CB C 13 36.9752 0.0000 . 1 . 10786 . A 23 TYR CB . 25137 1 299 . 1 1 23 23 TYR CD1 C 13 132.0686 0.0000 . 3 . . . A 23 TYR CD1 . 25137 1 300 . 1 1 23 23 TYR CD2 C 13 132.0686 0.0000 . 3 . . . A 23 TYR CD2 . 25137 1 301 . 1 1 23 23 TYR CE1 C 13 117.9664 0.0000 . 3 . . . A 23 TYR CE1 . 25137 1 302 . 1 1 23 23 TYR CE2 C 13 117.9664 0.0000 . 3 . . . A 23 TYR CE2 . 25137 1 303 . 1 1 23 23 TYR N N 15 117.4461 0.0000 . 1 . 11705 . A 23 TYR N . 25137 1 304 . 1 1 24 24 ALA H H 1 7.7647 0.0000 . 1 . 11433 . A 24 ALA H . 25137 1 305 . 1 1 24 24 ALA HA H 1 4.1000 0.0000 . 1 . 79437 . A 24 ALA HA . 25137 1 306 . 1 1 24 24 ALA HB1 H 1 1.2800 0.0000 . 1 . . . A 24 ALA HB1 . 25137 1 307 . 1 1 24 24 ALA HB2 H 1 1.2800 0.0000 . 1 . . . A 24 ALA HB2 . 25137 1 308 . 1 1 24 24 ALA HB3 H 1 1.2800 0.0000 . 1 . . . A 24 ALA HB3 . 25137 1 309 . 1 1 24 24 ALA C C 13 180.9100 0.0000 . 1 . . . A 24 ALA C . 25137 1 310 . 1 1 24 24 ALA CA C 13 55.0598 0.0000 . 1 . 10324 . A 24 ALA CA . 25137 1 311 . 1 1 24 24 ALA CB C 13 18.0698 0.0000 . 1 . 10480 . A 24 ALA CB . 25137 1 312 . 1 1 24 24 ALA N N 15 121.6267 0.0000 . 1 . 11435 . A 24 ALA N . 25137 1 313 . 1 1 25 25 PHE H H 1 8.3485 0.0000 . 1 . 11775 . A 25 PHE H . 25137 1 314 . 1 1 25 25 PHE HA H 1 3.9400 0.0000 . 1 . . . A 25 PHE HA . 25137 1 315 . 1 1 25 25 PHE HB2 H 1 2.6540 0.0000 . 2 . . . A 25 PHE HB2 . 25137 1 316 . 1 1 25 25 PHE HB3 H 1 2.9700 0.0000 . 2 . . . A 25 PHE HB3 . 25137 1 317 . 1 1 25 25 PHE HD1 H 1 7.1200 0.0000 . 3 . . . A 25 PHE HD1 . 25137 1 318 . 1 1 25 25 PHE HD2 H 1 7.1200 0.0000 . 3 . . . A 25 PHE HD2 . 25137 1 319 . 1 1 25 25 PHE HE1 H 1 7.0366 0.0000 . 3 . . . A 25 PHE HE1 . 25137 1 320 . 1 1 25 25 PHE HE2 H 1 7.0366 0.0000 . 3 . . . A 25 PHE HE2 . 25137 1 321 . 1 1 25 25 PHE HZ H 1 6.8310 0.0000 . 1 . . . A 25 PHE HZ . 25137 1 322 . 1 1 25 25 PHE C C 13 179.0900 0.0000 . 1 . . . A 25 PHE C . 25137 1 323 . 1 1 25 25 PHE CA C 13 63.4525 0.0000 . 1 . 10825 . A 25 PHE CA . 25137 1 324 . 1 1 25 25 PHE CB C 13 39.4844 0.0000 . 1 . 10894 . A 25 PHE CB . 25137 1 325 . 1 1 25 25 PHE CD1 C 13 131.7400 0.0000 . 3 . . . A 25 PHE CD1 . 25137 1 326 . 1 1 25 25 PHE CD2 C 13 131.7400 0.0000 . 3 . . . A 25 PHE CD2 . 25137 1 327 . 1 1 25 25 PHE CE1 C 13 130.8959 0.0000 . 3 . . . A 25 PHE CE1 . 25137 1 328 . 1 1 25 25 PHE CE2 C 13 130.8959 0.0000 . 3 . . . A 25 PHE CE2 . 25137 1 329 . 1 1 25 25 PHE CZ C 13 129.0433 0.0000 . 1 . . . A 25 PHE CZ . 25137 1 330 . 1 1 25 25 PHE N N 15 115.5891 0.0000 . 1 . 11777 . A 25 PHE N . 25137 1 331 . 1 1 26 26 GLU H H 1 8.8217 0.0000 . 1 . 10197 . A 26 GLU H . 25137 1 332 . 1 1 26 26 GLU HA H 1 4.4290 0.0000 . 1 . . . A 26 GLU HA . 25137 1 333 . 1 1 26 26 GLU HB2 H 1 2.2679 0.0000 . 2 . 80028 . A 26 GLU HB2 . 25137 1 334 . 1 1 26 26 GLU HB3 H 1 2.0786 0.0000 . 2 . 78792 . A 26 GLU HB3 . 25137 1 335 . 1 1 26 26 GLU HG2 H 1 2.4413 0.0000 . 2 . 74742 . A 26 GLU HG2 . 25137 1 336 . 1 1 26 26 GLU HG3 H 1 2.7185 0.0000 . 2 . . . A 26 GLU HG3 . 25137 1 337 . 1 1 26 26 GLU C C 13 181.6800 0.0000 . 1 . . . A 26 GLU C . 25137 1 338 . 1 1 26 26 GLU CA C 13 59.7371 0.0000 . 1 . 10225 . A 26 GLU CA . 25137 1 339 . 1 1 26 26 GLU CB C 13 28.9246 0.0000 . 1 . 10432 . A 26 GLU CB . 25137 1 340 . 1 1 26 26 GLU CG C 13 37.4340 0.0000 . 1 . . . A 26 GLU CG . 25137 1 341 . 1 1 26 26 GLU N N 15 121.1976 0.0000 . 1 . 10199 . A 26 GLU N . 25137 1 342 . 1 1 27 27 ASP H H 1 8.4236 0.0000 . 1 . 11424 . A 27 ASP H . 25137 1 343 . 1 1 27 27 ASP HA H 1 4.4680 0.0000 . 1 . . . A 27 ASP HA . 25137 1 344 . 1 1 27 27 ASP HB2 H 1 2.6710 0.0000 . 2 . . . A 27 ASP HB2 . 25137 1 345 . 1 1 27 27 ASP HB3 H 1 2.8050 0.0000 . 2 . . . A 27 ASP HB3 . 25137 1 346 . 1 1 27 27 ASP C C 13 177.8800 0.0000 . 1 . . . A 27 ASP C . 25137 1 347 . 1 1 27 27 ASP CA C 13 56.9957 0.0000 . 1 . 10240 . A 27 ASP CA . 25137 1 348 . 1 1 27 27 ASP CB C 13 40.6398 0.0000 . 1 . 10369 . A 27 ASP CB . 25137 1 349 . 1 1 27 27 ASP N N 15 121.8460 0.0000 . 1 . 11426 . A 27 ASP N . 25137 1 350 . 1 1 28 28 GLU H H 1 7.1696 0.0000 . 1 . 11787 . A 28 GLU H . 25137 1 351 . 1 1 28 28 GLU HA H 1 4.3310 0.0000 . 1 . . . A 28 GLU HA . 25137 1 352 . 1 1 28 28 GLU HB2 H 1 1.7905 0.0000 . 2 . 80007 . A 28 GLU HB2 . 25137 1 353 . 1 1 28 28 GLU HB3 H 1 2.3811 0.0000 . 2 . . . A 28 GLU HB3 . 25137 1 354 . 1 1 28 28 GLU HG2 H 1 2.3328 0.0000 . 2 . . . A 28 GLU HG2 . 25137 1 355 . 1 1 28 28 GLU HG3 H 1 1.9667 0.0000 . 2 . . . A 28 GLU HG3 . 25137 1 356 . 1 1 28 28 GLU C C 13 176.4600 0.0000 . 1 . . . A 28 GLU C . 25137 1 357 . 1 1 28 28 GLU CA C 13 55.3951 0.0000 . 1 . 10879 . A 28 GLU CA . 25137 1 358 . 1 1 28 28 GLU CB C 13 30.2644 0.0000 . 1 . 10921 . A 28 GLU CB . 25137 1 359 . 1 1 28 28 GLU CG C 13 35.0079 0.0000 . 1 . . . A 28 GLU CG . 25137 1 360 . 1 1 28 28 GLU N N 15 115.7590 0.0000 . 1 . 11789 . A 28 GLU N . 25137 1 361 . 1 1 29 29 GLY H H 1 7.8893 0.0000 . 1 . 11889 . A 29 GLY H . 25137 1 362 . 1 1 29 29 GLY HA2 H 1 4.2450 0.0000 . 2 . . . A 29 GLY HA2 . 25137 1 363 . 1 1 29 29 GLY HA3 H 1 3.7630 0.0000 . 2 . . . A 29 GLY HA3 . 25137 1 364 . 1 1 29 29 GLY C C 13 173.1600 0.0000 . 1 . . . A 29 GLY C . 25137 1 365 . 1 1 29 29 GLY CA C 13 45.5888 0.0000 . 1 . 10366 . A 29 GLY CA . 25137 1 366 . 1 1 29 29 GLY N N 15 106.8990 0.0000 . 1 . 11891 . A 29 GLY N . 25137 1 367 . 1 1 30 30 ALA H H 1 7.7429 0.0000 . 1 . 11511 . A 30 ALA H . 25137 1 368 . 1 1 30 30 ALA HA H 1 4.6800 0.0000 . 1 . 79536 . A 30 ALA HA . 25137 1 369 . 1 1 30 30 ALA HB1 H 1 1.2650 0.0000 . 1 . . . A 30 ALA HB1 . 25137 1 370 . 1 1 30 30 ALA HB2 H 1 1.2650 0.0000 . 1 . . . A 30 ALA HB2 . 25137 1 371 . 1 1 30 30 ALA HB3 H 1 1.2650 0.0000 . 1 . . . A 30 ALA HB3 . 25137 1 372 . 1 1 30 30 ALA C C 13 175.8800 0.0000 . 1 . . . A 30 ALA C . 25137 1 373 . 1 1 30 30 ALA CA C 13 50.6656 0.0000 . 1 . 10342 . A 30 ALA CA . 25137 1 374 . 1 1 30 30 ALA CB C 13 21.8820 0.0000 . 1 . 10474 . A 30 ALA CB . 25137 1 375 . 1 1 30 30 ALA N N 15 121.0072 0.0000 . 1 . 11513 . A 30 ALA N . 25137 1 376 . 1 1 31 31 GLU H H 1 8.5947 0.0000 . 1 . 12201 . A 31 GLU H . 25137 1 377 . 1 1 31 31 GLU HA H 1 4.6640 0.0000 . 1 . . . A 31 GLU HA . 25137 1 378 . 1 1 31 31 GLU HB2 H 1 1.9117 0.0000 . 2 . 75495 . A 31 GLU HB2 . 25137 1 379 . 1 1 31 31 GLU HB3 H 1 1.9117 0.0000 . 2 . . . A 31 GLU HB3 . 25137 1 380 . 1 1 31 31 GLU HG2 H 1 2.2599 0.0000 . 2 . 74787 . A 31 GLU HG2 . 25137 1 381 . 1 1 31 31 GLU HG3 H 1 2.0661 0.0000 . 2 . . . A 31 GLU HG3 . 25137 1 382 . 1 1 31 31 GLU C C 13 175.4300 0.0000 . 1 . . . A 31 GLU C . 25137 1 383 . 1 1 31 31 GLU CA C 13 55.1356 0.0000 . 1 . 10546 . A 31 GLU CA . 25137 1 384 . 1 1 31 31 GLU CB C 13 32.1256 0.0000 . 1 . 10657 . A 31 GLU CB . 25137 1 385 . 1 1 31 31 GLU CG C 13 36.8060 0.0000 . 1 . . . A 31 GLU CG . 25137 1 386 . 1 1 31 31 GLU N N 15 120.0654 0.0000 . 1 . 12203 . A 31 GLU N . 25137 1 387 . 1 1 32 32 VAL H H 1 8.8723 0.0000 . 1 . 11295 . A 32 VAL H . 25137 1 388 . 1 1 32 32 VAL HA H 1 4.7870 0.0000 . 1 . . . A 32 VAL HA . 25137 1 389 . 1 1 32 32 VAL HB H 1 1.8060 0.0000 . 1 . . . A 32 VAL HB . 25137 1 390 . 1 1 32 32 VAL HG11 H 1 0.6690 0.0000 . 2 . . . A 32 VAL HG11 . 25137 1 391 . 1 1 32 32 VAL HG12 H 1 0.6690 0.0000 . 2 . . . A 32 VAL HG12 . 25137 1 392 . 1 1 32 32 VAL HG13 H 1 0.6690 0.0000 . 2 . . . A 32 VAL HG13 . 25137 1 393 . 1 1 32 32 VAL HG21 H 1 0.8500 0.0000 . 2 . . . A 32 VAL HG21 . 25137 1 394 . 1 1 32 32 VAL HG22 H 1 0.8500 0.0000 . 2 . . . A 32 VAL HG22 . 25137 1 395 . 1 1 32 32 VAL HG23 H 1 0.8500 0.0000 . 2 . . . A 32 VAL HG23 . 25137 1 396 . 1 1 32 32 VAL C C 13 175.2900 0.0000 . 1 . . . A 32 VAL C . 25137 1 397 . 1 1 32 32 VAL CA C 13 60.8019 0.0000 . 1 . 9928 . A 32 VAL CA . 25137 1 398 . 1 1 32 32 VAL CB C 13 34.9909 0.0000 . 1 . 10114 . A 32 VAL CB . 25137 1 399 . 1 1 32 32 VAL CG1 C 13 22.3980 0.0000 . 2 . . . A 32 VAL CG1 . 25137 1 400 . 1 1 32 32 VAL CG2 C 13 23.3830 0.0000 . 2 . . . A 32 VAL CG2 . 25137 1 401 . 1 1 32 32 VAL N N 15 123.4137 0.0000 . 1 . 11297 . A 32 VAL N . 25137 1 402 . 1 1 33 33 VAL H H 1 9.0421 0.0000 . 1 . 11130 . A 33 VAL H . 25137 1 403 . 1 1 33 33 VAL HA H 1 4.2260 0.0000 . 1 . . . A 33 VAL HA . 25137 1 404 . 1 1 33 33 VAL HB H 1 1.8440 0.0000 . 1 . . . A 33 VAL HB . 25137 1 405 . 1 1 33 33 VAL HG11 H 1 0.8010 0.0000 . 2 . . . A 33 VAL HG11 . 25137 1 406 . 1 1 33 33 VAL HG12 H 1 0.8010 0.0000 . 2 . . . A 33 VAL HG12 . 25137 1 407 . 1 1 33 33 VAL HG13 H 1 0.8010 0.0000 . 2 . . . A 33 VAL HG13 . 25137 1 408 . 1 1 33 33 VAL HG21 H 1 0.7740 0.0000 . 2 . 77424 . A 33 VAL HG21 . 25137 1 409 . 1 1 33 33 VAL HG22 H 1 0.7740 0.0000 . 2 . 77424 . A 33 VAL HG22 . 25137 1 410 . 1 1 33 33 VAL HG23 H 1 0.7740 0.0000 . 2 . 77424 . A 33 VAL HG23 . 25137 1 411 . 1 1 33 33 VAL C C 13 173.8300 0.0000 . 1 . . . A 33 VAL C . 25137 1 412 . 1 1 33 33 VAL CA C 13 60.9900 0.0000 . 1 . . . A 33 VAL CA . 25137 1 413 . 1 1 33 33 VAL CB C 13 33.7363 0.0000 . 1 . 17926 . A 33 VAL CB . 25137 1 414 . 1 1 33 33 VAL CG1 C 13 21.2000 0.0000 . 2 . . . A 33 VAL CG1 . 25137 1 415 . 1 1 33 33 VAL CG2 C 13 20.8200 0.0000 . 2 . . . A 33 VAL CG2 . 25137 1 416 . 1 1 33 33 VAL N N 15 128.1584 0.0000 . 1 . 11132 . A 33 VAL N . 25137 1 417 . 1 1 34 34 VAL H H 1 8.5219 0.0000 . 1 . 11151 . A 34 VAL H . 25137 1 418 . 1 1 34 34 VAL HA H 1 4.7510 0.0000 . 1 . . . A 34 VAL HA . 25137 1 419 . 1 1 34 34 VAL HB H 1 1.8640 0.0000 . 1 . . . A 34 VAL HB . 25137 1 420 . 1 1 34 34 VAL HG11 H 1 0.8000 0.0000 . 2 . . . A 34 VAL HG11 . 25137 1 421 . 1 1 34 34 VAL HG12 H 1 0.8000 0.0000 . 2 . . . A 34 VAL HG12 . 25137 1 422 . 1 1 34 34 VAL HG13 H 1 0.8000 0.0000 . 2 . . . A 34 VAL HG13 . 25137 1 423 . 1 1 34 34 VAL HG21 H 1 0.6677 0.0000 . 2 . 78921 . A 34 VAL HG21 . 25137 1 424 . 1 1 34 34 VAL HG22 H 1 0.6677 0.0000 . 2 . 78921 . A 34 VAL HG22 . 25137 1 425 . 1 1 34 34 VAL HG23 H 1 0.6677 0.0000 . 2 . 78921 . A 34 VAL HG23 . 25137 1 426 . 1 1 34 34 VAL C C 13 175.1000 0.0000 . 1 . . . A 34 VAL C . 25137 1 427 . 1 1 34 34 VAL CA C 13 61.3889 0.0000 . 1 . 9724 . A 34 VAL CA . 25137 1 428 . 1 1 34 34 VAL CB C 13 33.1934 0.0000 . 1 . 9796 . A 34 VAL CB . 25137 1 429 . 1 1 34 34 VAL CG1 C 13 21.8900 0.0000 . 2 . . . A 34 VAL CG1 . 25137 1 430 . 1 1 34 34 VAL CG2 C 13 22.4800 0.0000 . 2 . . . A 34 VAL CG2 . 25137 1 431 . 1 1 34 34 VAL N N 15 126.2393 0.0000 . 1 . 11153 . A 34 VAL N . 25137 1 432 . 1 1 35 35 ALA H H 1 9.3881 0.0000 . 1 . 9612 . A 35 ALA H . 25137 1 433 . 1 1 35 35 ALA HA H 1 4.6820 0.0000 . 1 . . . A 35 ALA HA . 25137 1 434 . 1 1 35 35 ALA HB1 H 1 1.2490 0.0000 . 1 . . . A 35 ALA HB1 . 25137 1 435 . 1 1 35 35 ALA HB2 H 1 1.2490 0.0000 . 1 . . . A 35 ALA HB2 . 25137 1 436 . 1 1 35 35 ALA HB3 H 1 1.2490 0.0000 . 1 . . . A 35 ALA HB3 . 25137 1 437 . 1 1 35 35 ALA C C 13 174.3800 0.0000 . 1 . . . A 35 ALA C . 25137 1 438 . 1 1 35 35 ALA CA C 13 50.1541 0.0000 . 1 . 9640 . A 35 ALA CA . 25137 1 439 . 1 1 35 35 ALA CB C 13 22.9222 0.0000 . 1 . 9658 . A 35 ALA CB . 25137 1 440 . 1 1 35 35 ALA N N 15 129.9548 0.0000 . 1 . 9614 . A 35 ALA N . 25137 1 441 . 1 1 36 36 ALA H H 1 8.5394 0.0000 . 1 . 11550 . A 36 ALA H . 25137 1 442 . 1 1 36 36 ALA HA H 1 4.6320 0.0000 . 1 . 79503 . A 36 ALA HA . 25137 1 443 . 1 1 36 36 ALA HB1 H 1 1.4960 0.0000 . 1 . . . A 36 ALA HB1 . 25137 1 444 . 1 1 36 36 ALA HB2 H 1 1.4960 0.0000 . 1 . . . A 36 ALA HB2 . 25137 1 445 . 1 1 36 36 ALA HB3 H 1 1.4960 0.0000 . 1 . . . A 36 ALA HB3 . 25137 1 446 . 1 1 36 36 ALA C C 13 176.4900 0.0000 . 1 . . . A 36 ALA C . 25137 1 447 . 1 1 36 36 ALA CA C 13 51.7780 0.0000 . 1 . 10330 . A 36 ALA CA . 25137 1 448 . 1 1 36 36 ALA CB C 13 21.5059 0.0000 . 1 . 10471 . A 36 ALA CB . 25137 1 449 . 1 1 36 36 ALA N N 15 121.0109 0.0000 . 1 . 11552 . A 36 ALA N . 25137 1 450 . 1 1 37 37 THR H H 1 7.0187 0.0000 . 1 . 11103 . A 37 THR H . 25137 1 451 . 1 1 37 37 THR HA H 1 4.6200 0.0000 . 1 . . . A 37 THR HA . 25137 1 452 . 1 1 37 37 THR HB H 1 4.5730 0.0000 . 1 . . . A 37 THR HB . 25137 1 453 . 1 1 37 37 THR HG1 H 1 5.6300 0.0000 . 1 . . . A 37 THR HG1 . 25137 1 454 . 1 1 37 37 THR HG21 H 1 1.1750 0.0000 . 1 . . . A 37 THR HG21 . 25137 1 455 . 1 1 37 37 THR HG22 H 1 1.1750 0.0000 . 1 . . . A 37 THR HG22 . 25137 1 456 . 1 1 37 37 THR HG23 H 1 1.1750 0.0000 . 1 . . . A 37 THR HG23 . 25137 1 457 . 1 1 37 37 THR C C 13 174.7100 0.0000 . 1 . . . A 37 THR C . 25137 1 458 . 1 1 37 37 THR CA C 13 57.5205 0.0000 . 1 . 9601 . A 37 THR CA . 25137 1 459 . 1 1 37 37 THR CB C 13 72.9722 0.0000 . 1 . 9598 . A 37 THR CB . 25137 1 460 . 1 1 37 37 THR CG2 C 13 21.5330 0.0000 . 1 . . . A 37 THR CG2 . 25137 1 461 . 1 1 37 37 THR N N 15 102.8800 0.0000 . 1 . 11105 . A 37 THR N . 25137 1 462 . 1 1 38 38 CYS H H 1 9.3983 0.0000 . 1 . 11418 . A 38 CYS H . 25137 1 463 . 1 1 38 38 CYS HA H 1 3.6768 0.0000 . 1 . . . A 38 CYS HA . 25137 1 464 . 1 1 38 38 CYS HB2 H 1 2.5750 0.0000 . 2 . . . A 38 CYS HB2 . 25137 1 465 . 1 1 38 38 CYS HB3 H 1 2.8510 0.0000 . 2 . . . A 38 CYS HB3 . 25137 1 466 . 1 1 38 38 CYS C C 13 176.0200 0.0000 . 1 . . . A 38 CYS C . 25137 1 467 . 1 1 38 38 CYS CA C 13 63.1793 0.0000 . 1 . 10498 . A 38 CYS CA . 25137 1 468 . 1 1 38 38 CYS CB C 13 26.3174 0.0000 . 1 . 10462 . A 38 CYS CB . 25137 1 469 . 1 1 38 38 CYS N N 15 120.5531 0.0000 . 1 . 11420 . A 38 CYS N . 25137 1 470 . 1 1 39 39 GLU H H 1 8.9603 0.0000 . 1 . 11565 . A 39 GLU H . 25137 1 471 . 1 1 39 39 GLU HA H 1 3.8290 0.0000 . 1 . . . A 39 GLU HA . 25137 1 472 . 1 1 39 39 GLU HB2 H 1 2.0308 0.0000 . 2 . 80010 . A 39 GLU HB2 . 25137 1 473 . 1 1 39 39 GLU HB3 H 1 1.8746 0.0000 . 2 . . . A 39 GLU HB3 . 25137 1 474 . 1 1 39 39 GLU HG2 H 1 2.3194 0.0000 . 2 . 75696 . A 39 GLU HG2 . 25137 1 475 . 1 1 39 39 GLU HG3 H 1 2.2307 0.0000 . 2 . . . A 39 GLU HG3 . 25137 1 476 . 1 1 39 39 GLU C C 13 179.4700 0.0000 . 1 . . . A 39 GLU C . 25137 1 477 . 1 1 39 39 GLU CA C 13 60.5940 0.0000 . 1 . 10501 . A 39 GLU CA . 25137 1 478 . 1 1 39 39 GLU CB C 13 28.9632 0.0000 . 1 . 10678 . A 39 GLU CB . 25137 1 479 . 1 1 39 39 GLU CG C 13 36.8047 0.0000 . 1 . . . A 39 GLU CG . 25137 1 480 . 1 1 39 39 GLU N N 15 118.5208 0.0000 . 1 . 11567 . A 39 GLU N . 25137 1 481 . 1 1 40 40 GLN H H 1 7.8552 0.0000 . 1 . 11571 . A 40 GLN H . 25137 1 482 . 1 1 40 40 GLN HA H 1 4.0210 0.0000 . 1 . . . A 40 GLN HA . 25137 1 483 . 1 1 40 40 GLN HB2 H 1 2.0874 0.0000 . 2 . 78792 . A 40 GLN HB2 . 25137 1 484 . 1 1 40 40 GLN HB3 H 1 2.1720 0.0000 . 2 . 78792 . A 40 GLN HB3 . 25137 1 485 . 1 1 40 40 GLN HG2 H 1 2.4790 0.0000 . 2 . 74925 . A 40 GLN HG2 . 25137 1 486 . 1 1 40 40 GLN HG3 H 1 2.4790 0.0000 . 2 . . . A 40 GLN HG3 . 25137 1 487 . 1 1 40 40 GLN HE21 H 1 7.4723 0.0000 . 2 . . . A 40 GLN HE21 . 25137 1 488 . 1 1 40 40 GLN HE22 H 1 7.0312 0.0000 . 2 . . . A 40 GLN HE22 . 25137 1 489 . 1 1 40 40 GLN C C 13 176.2110 0.0000 . 1 . . . A 40 GLN C . 25137 1 490 . 1 1 40 40 GLN CA C 13 58.3065 0.0000 . 1 . 9961 . A 40 GLN CA . 25137 1 491 . 1 1 40 40 GLN CB C 13 28.9246 0.0000 . 1 . 33814 . A 40 GLN CB . 25137 1 492 . 1 1 40 40 GLN CG C 13 33.6030 0.0000 . 1 . . . A 40 GLN CG . 25137 1 493 . 1 1 40 40 GLN N N 15 118.6019 0.0000 . 1 . 11573 . A 40 GLN N . 25137 1 494 . 1 1 40 40 GLN NE2 N 15 112.0140 0.0000 . 1 . . . A 40 GLN NE2 . 25137 1 495 . 1 1 41 41 ALA H H 1 8.0094 0.0000 . 1 . 11286 . A 41 ALA H . 25137 1 496 . 1 1 41 41 ALA HA H 1 3.7350 0.0000 . 1 . 79413 . A 41 ALA HA . 25137 1 497 . 1 1 41 41 ALA HB1 H 1 1.4140 0.0000 . 1 . . . A 41 ALA HB1 . 25137 1 498 . 1 1 41 41 ALA HB2 H 1 1.4140 0.0000 . 1 . . . A 41 ALA HB2 . 25137 1 499 . 1 1 41 41 ALA HB3 H 1 1.4140 0.0000 . 1 . . . A 41 ALA HB3 . 25137 1 500 . 1 1 41 41 ALA C C 13 178.4400 0.0000 . 1 . . . A 41 ALA C . 25137 1 501 . 1 1 41 41 ALA CA C 13 55.1776 0.0000 . 1 . 10024 . A 41 ALA CA . 25137 1 502 . 1 1 41 41 ALA CB C 13 19.8715 0.0000 . 1 . 10177 . A 41 ALA CB . 25137 1 503 . 1 1 41 41 ALA N N 15 122.3946 0.0000 . 1 . 11288 . A 41 ALA N . 25137 1 504 . 1 1 42 42 LEU H H 1 8.4974 0.0000 . 1 . 10818 . A 42 LEU H . 25137 1 505 . 1 1 42 42 LEU HA H 1 3.8750 0.0000 . 1 . . . A 42 LEU HA . 25137 1 506 . 1 1 42 42 LEU HB2 H 1 1.7847 0.0000 . 2 . 74358 . A 42 LEU HB2 . 25137 1 507 . 1 1 42 42 LEU HB3 H 1 1.3623 0.0000 . 2 . . . A 42 LEU HB3 . 25137 1 508 . 1 1 42 42 LEU HG H 1 1.7053 0.0000 . 1 . . . A 42 LEU HG . 25137 1 509 . 1 1 42 42 LEU HD11 H 1 0.7160 0.0000 . 2 . . . A 42 LEU HD11 . 25137 1 510 . 1 1 42 42 LEU HD12 H 1 0.7160 0.0000 . 2 . . . A 42 LEU HD12 . 25137 1 511 . 1 1 42 42 LEU HD13 H 1 0.7160 0.0000 . 2 . . . A 42 LEU HD13 . 25137 1 512 . 1 1 42 42 LEU HD21 H 1 0.6808 0.0000 . 2 . 78882 . A 42 LEU HD21 . 25137 1 513 . 1 1 42 42 LEU HD22 H 1 0.6808 0.0000 . 2 . 78882 . A 42 LEU HD22 . 25137 1 514 . 1 1 42 42 LEU HD23 H 1 0.6808 0.0000 . 2 . 78882 . A 42 LEU HD23 . 25137 1 515 . 1 1 42 42 LEU C C 13 180.0800 0.0000 . 1 . . . A 42 LEU C . 25137 1 516 . 1 1 42 42 LEU CA C 13 58.0107 0.0000 . 1 . 10732 . A 42 LEU CA . 25137 1 517 . 1 1 42 42 LEU CB C 13 40.9610 0.0000 . 1 . . . A 42 LEU CB . 25137 1 518 . 1 1 42 42 LEU CG C 13 27.0228 0.0000 . 1 . . . A 42 LEU CG . 25137 1 519 . 1 1 42 42 LEU CD1 C 13 25.5080 0.0000 . 2 . . . A 42 LEU CD1 . 25137 1 520 . 1 1 42 42 LEU CD2 C 13 22.8111 0.0000 . 2 . . . A 42 LEU CD2 . 25137 1 521 . 1 1 42 42 LEU N N 15 116.8324 0.0000 . 1 . 10820 . A 42 LEU N . 25137 1 522 . 1 1 43 43 LYS H H 1 7.5926 0.0000 . 1 . 11439 . A 43 LYS H . 25137 1 523 . 1 1 43 43 LYS HA H 1 4.0654 0.0000 . 1 . . . A 43 LYS HA . 25137 1 524 . 1 1 43 43 LYS HB2 H 1 1.8290 0.0000 . 2 . . . A 43 LYS HB2 . 25137 1 525 . 1 1 43 43 LYS HB3 H 1 1.9156 0.0000 . 2 . . . A 43 LYS HB3 . 25137 1 526 . 1 1 43 43 LYS HG2 H 1 1.4690 0.0000 . 2 . . . A 43 LYS HG2 . 25137 1 527 . 1 1 43 43 LYS HG3 H 1 1.3990 0.0000 . 2 . . . A 43 LYS HG3 . 25137 1 528 . 1 1 43 43 LYS HD2 H 1 1.6080 0.0000 . 2 . . . A 43 LYS HD2 . 25137 1 529 . 1 1 43 43 LYS HD3 H 1 1.6490 0.0000 . 2 . . . A 43 LYS HD3 . 25137 1 530 . 1 1 43 43 LYS HE2 H 1 3.2599 0.0000 . 2 . . . A 43 LYS HE2 . 25137 1 531 . 1 1 43 43 LYS HE3 H 1 3.1070 0.0000 . 2 . . . A 43 LYS HE3 . 25137 1 532 . 1 1 43 43 LYS C C 13 178.5000 0.0000 . 1 . . . A 43 LYS C . 25137 1 533 . 1 1 43 43 LYS CA C 13 59.2559 0.0000 . 1 . 10261 . A 43 LYS CA . 25137 1 534 . 1 1 43 43 LYS CB C 13 32.2947 0.0000 . 1 . 10426 . A 43 LYS CB . 25137 1 535 . 1 1 43 43 LYS CG C 13 25.3770 0.0000 . 1 . . . A 43 LYS CG . 25137 1 536 . 1 1 43 43 LYS CD C 13 29.1270 0.0000 . 1 . . . A 43 LYS CD . 25137 1 537 . 1 1 43 43 LYS CE C 13 42.4850 0.0000 . 1 . . . A 43 LYS CE . 25137 1 538 . 1 1 43 43 LYS N N 15 121.0869 0.0000 . 1 . 11441 . A 43 LYS N . 25137 1 539 . 1 1 44 44 SER H H 1 8.1000 0.0000 . 1 . 11688 . A 44 SER H . 25137 1 540 . 1 1 44 44 SER HA H 1 4.1300 0.0000 . 1 . . . A 44 SER HA . 25137 1 541 . 1 1 44 44 SER HB2 H 1 3.6900 0.0000 . 2 . 71631 . A 44 SER HB2 . 25137 1 542 . 1 1 44 44 SER HB3 H 1 3.9000 0.0000 . 2 . . . A 44 SER HB3 . 25137 1 543 . 1 1 44 44 SER C C 13 176.4300 0.0000 . 1 . . . A 44 SER C . 25137 1 544 . 1 1 44 44 SER CA C 13 62.9000 0.0000 . 1 . . . A 44 SER CA . 25137 1 545 . 1 1 44 44 SER CB C 13 62.9000 0.0000 . 1 . . . A 44 SER CB . 25137 1 546 . 1 1 44 44 SER N N 15 115.1500 0.0000 . 1 . 11690 . A 44 SER N . 25137 1 547 . 1 1 45 45 LEU H H 1 8.0500 0.0000 . 1 . . . A 45 LEU H . 25137 1 548 . 1 1 45 45 LEU HA H 1 4.1212 0.0000 . 1 . 79359 . A 45 LEU HA . 25137 1 549 . 1 1 45 45 LEU HB2 H 1 1.5944 0.0000 . 2 . 79725 . A 45 LEU HB2 . 25137 1 550 . 1 1 45 45 LEU HB3 H 1 1.5032 0.0000 . 2 . 79725 . A 45 LEU HB3 . 25137 1 551 . 1 1 45 45 LEU HG H 1 1.6800 0.0000 . 1 . . . A 45 LEU HG . 25137 1 552 . 1 1 45 45 LEU HD11 H 1 0.6800 0.0000 . 2 . . . A 45 LEU HD11 . 25137 1 553 . 1 1 45 45 LEU HD12 H 1 0.6800 0.0000 . 2 . . . A 45 LEU HD12 . 25137 1 554 . 1 1 45 45 LEU HD13 H 1 0.6800 0.0000 . 2 . . . A 45 LEU HD13 . 25137 1 555 . 1 1 45 45 LEU HD21 H 1 0.6800 0.0000 . 2 . 80121 . A 45 LEU HD21 . 25137 1 556 . 1 1 45 45 LEU HD22 H 1 0.6800 0.0000 . 2 . 80121 . A 45 LEU HD22 . 25137 1 557 . 1 1 45 45 LEU HD23 H 1 0.6800 0.0000 . 2 . 80121 . A 45 LEU HD23 . 25137 1 558 . 1 1 45 45 LEU C C 13 177.2600 0.0000 . 1 . . . A 45 LEU C . 25137 1 559 . 1 1 45 45 LEU CA C 13 56.7700 0.0000 . 1 . 10579 . A 45 LEU CA . 25137 1 560 . 1 1 45 45 LEU CB C 13 42.3890 0.0000 . 1 . 10645 . A 45 LEU CB . 25137 1 561 . 1 1 45 45 LEU CG C 13 26.9000 0.0000 . 1 . . . A 45 LEU CG . 25137 1 562 . 1 1 45 45 LEU CD1 C 13 25.4000 0.0000 . 2 . . . A 45 LEU CD1 . 25137 1 563 . 1 1 45 45 LEU CD2 C 13 25.4000 0.0000 . 2 . . . A 45 LEU CD2 . 25137 1 564 . 1 1 45 45 LEU N N 15 120.0500 0.0000 . 1 . . . A 45 LEU N . 25137 1 565 . 1 1 46 46 ALA H H 1 7.3602 0.0000 . 1 . 11658 . A 46 ALA H . 25137 1 566 . 1 1 46 46 ALA HA H 1 4.0935 0.0000 . 1 . 79437 . A 46 ALA HA . 25137 1 567 . 1 1 46 46 ALA HB1 H 1 1.4525 0.0000 . 1 . 77670 . A 46 ALA HB1 . 25137 1 568 . 1 1 46 46 ALA HB2 H 1 1.4525 0.0000 . 1 . 77670 . A 46 ALA HB2 . 25137 1 569 . 1 1 46 46 ALA HB3 H 1 1.4525 0.0000 . 1 . 77670 . A 46 ALA HB3 . 25137 1 570 . 1 1 46 46 ALA C C 13 179.3100 0.0000 . 1 . . . A 46 ALA C . 25137 1 571 . 1 1 46 46 ALA CA C 13 54.1263 0.0000 . 1 . 10582 . A 46 ALA CA . 25137 1 572 . 1 1 46 46 ALA CB C 13 18.4115 0.0000 . 1 . 10705 . A 46 ALA CB . 25137 1 573 . 1 1 46 46 ALA N N 15 119.9396 0.0000 . 1 . 11660 . A 46 ALA N . 25137 1 574 . 1 1 47 47 ASP H H 1 7.5835 0.0000 . 1 . 11784 . A 47 ASP H . 25137 1 575 . 1 1 47 47 ASP HA H 1 4.6100 0.0000 . 1 . 79035 . A 47 ASP HA . 25137 1 576 . 1 1 47 47 ASP HB2 H 1 2.5413 0.0000 . 2 . 79749 . A 47 ASP HB2 . 25137 1 577 . 1 1 47 47 ASP HB3 H 1 2.7180 0.0000 . 2 . . . A 47 ASP HB3 . 25137 1 578 . 1 1 47 47 ASP C C 13 175.9300 0.0000 . 1 . . . A 47 ASP C . 25137 1 579 . 1 1 47 47 ASP CA C 13 55.0868 0.0000 . 1 . 10873 . A 47 ASP CA . 25137 1 580 . 1 1 47 47 ASP CB C 13 42.3638 0.0000 . 1 . 10897 . A 47 ASP CB . 25137 1 581 . 1 1 47 47 ASP N N 15 115.2772 0.0000 . 1 . 11786 . A 47 ASP N . 25137 1 582 . 1 1 48 48 ASN H H 1 7.7271 0.0000 . 1 . 11733 . A 48 ASN H . 25137 1 583 . 1 1 48 48 ASN HA H 1 5.2193 0.0000 . 1 . 79503 . A 48 ASN HA . 25137 1 584 . 1 1 48 48 ASN HB2 H 1 2.2539 0.0000 . 2 . 79749 . A 48 ASN HB2 . 25137 1 585 . 1 1 48 48 ASN HB3 H 1 2.5448 0.0000 . 2 . 79749 . A 48 ASN HB3 . 25137 1 586 . 1 1 48 48 ASN HD21 H 1 7.2396 0.0000 . 2 . . . A 48 ASN HD21 . 25137 1 587 . 1 1 48 48 ASN HD22 H 1 7.9950 0.0000 . 2 . . . A 48 ASN HD22 . 25137 1 588 . 1 1 48 48 ASN CA C 13 51.0959 0.0000 . 1 . 10768 . A 48 ASN CA . 25137 1 589 . 1 1 48 48 ASN CB C 13 42.3814 0.0000 . 1 . 34294 . A 48 ASN CB . 25137 1 590 . 1 1 48 48 ASN N N 15 116.9770 0.0000 . 1 . 11735 . A 48 ASN N . 25137 1 591 . 1 1 48 48 ASN ND2 N 15 115.6971 0.0000 . 1 . . . A 48 ASN ND2 . 25137 1 592 . 1 1 49 49 PRO HA H 1 4.5506 0.0000 . 1 . 79233 . A 49 PRO HA . 25137 1 593 . 1 1 49 49 PRO HB2 H 1 2.0400 0.0000 . 2 . . . A 49 PRO HB2 . 25137 1 594 . 1 1 49 49 PRO HB3 H 1 2.0400 0.0000 . 2 . 78744 . A 49 PRO HB3 . 25137 1 595 . 1 1 49 49 PRO HG2 H 1 2.0700 0.0000 . 2 . 75810 . A 49 PRO HG2 . 25137 1 596 . 1 1 49 49 PRO HG3 H 1 2.0700 0.0000 . 2 . 75810 . A 49 PRO HG3 . 25137 1 597 . 1 1 49 49 PRO HD2 H 1 3.7620 0.0000 . 2 . . . A 49 PRO HD2 . 25137 1 598 . 1 1 49 49 PRO HD3 H 1 3.6400 0.0000 . 2 . . . A 49 PRO HD3 . 25137 1 599 . 1 1 49 49 PRO C C 13 174.8900 0.0000 . 1 . . . A 49 PRO C . 25137 1 600 . 1 1 49 49 PRO CA C 13 62.0925 0.0000 . 1 . . . A 49 PRO CA . 25137 1 601 . 1 1 49 49 PRO CB C 13 29.9400 0.0000 . 1 . 19607 . A 49 PRO CB . 25137 1 602 . 1 1 49 49 PRO CG C 13 27.2800 0.0000 . 1 . . . A 49 PRO CG . 25137 1 603 . 1 1 49 49 PRO CD C 13 50.2674 0.0000 . 1 . . . A 49 PRO CD . 25137 1 604 . 1 1 50 50 ILE H H 1 7.4200 0.0000 . 1 . . . A 50 ILE H . 25137 1 605 . 1 1 50 50 ILE HA H 1 3.9080 0.0000 . 1 . . . A 50 ILE HA . 25137 1 606 . 1 1 50 50 ILE HB H 1 1.8000 0.0000 . 1 . . . A 50 ILE HB . 25137 1 607 . 1 1 50 50 ILE HG12 H 1 1.5266 0.0000 . 2 . 80067 . A 50 ILE HG12 . 25137 1 608 . 1 1 50 50 ILE HG13 H 1 1.0931 0.0000 . 2 . 80067 . A 50 ILE HG13 . 25137 1 609 . 1 1 50 50 ILE HG21 H 1 0.7800 0.0000 . 1 . . . A 50 ILE HG21 . 25137 1 610 . 1 1 50 50 ILE HG22 H 1 0.7800 0.0000 . 1 . . . A 50 ILE HG22 . 25137 1 611 . 1 1 50 50 ILE HG23 H 1 0.7800 0.0000 . 1 . . . A 50 ILE HG23 . 25137 1 612 . 1 1 50 50 ILE HD11 H 1 0.4926 0.0000 . 1 . . . A 50 ILE HD11 . 25137 1 613 . 1 1 50 50 ILE HD12 H 1 0.4926 0.0000 . 1 . . . A 50 ILE HD12 . 25137 1 614 . 1 1 50 50 ILE HD13 H 1 0.4926 0.0000 . 1 . . . A 50 ILE HD13 . 25137 1 615 . 1 1 50 50 ILE C C 13 174.8400 0.0000 . 1 . . . A 50 ILE C . 25137 1 616 . 1 1 50 50 ILE CA C 13 58.5800 0.0000 . 1 . . . A 50 ILE CA . 25137 1 617 . 1 1 50 50 ILE CB C 13 38.8500 0.0000 . 1 . . . A 50 ILE CB . 25137 1 618 . 1 1 50 50 ILE CG1 C 13 26.6400 0.0000 . 1 . . . A 50 ILE CG1 . 25137 1 619 . 1 1 50 50 ILE CG2 C 13 19.0200 0.0000 . 1 . . . A 50 ILE CG2 . 25137 1 620 . 1 1 50 50 ILE CD1 C 13 10.4970 0.0000 . 1 . . . A 50 ILE CD1 . 25137 1 621 . 1 1 50 50 ILE N N 15 122.2800 0.0000 . 1 . . . A 50 ILE N . 25137 1 622 . 1 1 51 51 ASP H H 1 9.3100 0.0000 . 1 . . . A 51 ASP H . 25137 1 623 . 1 1 51 51 ASP HA H 1 4.7494 0.0000 . 1 . . . A 51 ASP HA . 25137 1 624 . 1 1 51 51 ASP HB2 H 1 2.5758 0.0000 . 2 . . . A 51 ASP HB2 . 25137 1 625 . 1 1 51 51 ASP HB3 H 1 2.7768 0.0000 . 2 . . . A 51 ASP HB3 . 25137 1 626 . 1 1 51 51 ASP C C 13 175.1136 0.0000 . 1 . . . A 51 ASP C . 25137 1 627 . 1 1 51 51 ASP CA C 13 56.9300 0.0000 . 1 . . . A 51 ASP CA . 25137 1 628 . 1 1 51 51 ASP CB C 13 44.3600 0.0000 . 1 . . . A 51 ASP CB . 25137 1 629 . 1 1 51 51 ASP N N 15 123.7700 0.0000 . 1 . . . A 51 ASP N . 25137 1 630 . 1 1 52 52 VAL H H 1 7.5801 0.0000 . 1 . . . A 52 VAL H . 25137 1 631 . 1 1 52 52 VAL HA H 1 4.8740 0.0000 . 1 . 78525 . A 52 VAL HA . 25137 1 632 . 1 1 52 52 VAL HB H 1 2.2621 0.0000 . 1 . 75087 . A 52 VAL HB . 25137 1 633 . 1 1 52 52 VAL HG11 H 1 0.5256 0.0000 . 2 . . . A 52 VAL HG11 . 25137 1 634 . 1 1 52 52 VAL HG12 H 1 0.5256 0.0000 . 2 . . . A 52 VAL HG12 . 25137 1 635 . 1 1 52 52 VAL HG13 H 1 0.5256 0.0000 . 2 . . . A 52 VAL HG13 . 25137 1 636 . 1 1 52 52 VAL HG21 H 1 1.0800 0.0000 . 2 . 75105 . A 52 VAL HG21 . 25137 1 637 . 1 1 52 52 VAL HG22 H 1 1.0800 0.0000 . 2 . 75105 . A 52 VAL HG22 . 25137 1 638 . 1 1 52 52 VAL HG23 H 1 1.0800 0.0000 . 2 . 75105 . A 52 VAL HG23 . 25137 1 639 . 1 1 52 52 VAL C C 13 171.1290 0.0000 . 1 . . . A 52 VAL C . 25137 1 640 . 1 1 52 52 VAL CA C 13 59.8500 0.0000 . 1 . . . A 52 VAL CA . 25137 1 641 . 1 1 52 52 VAL CB C 13 32.9800 0.0000 . 1 . . . A 52 VAL CB . 25137 1 642 . 1 1 52 52 VAL CG1 C 13 20.2860 0.0000 . 2 . . . A 52 VAL CG1 . 25137 1 643 . 1 1 52 52 VAL CG2 C 13 20.7210 0.0000 . 2 . . . A 52 VAL CG2 . 25137 1 644 . 1 1 52 52 VAL N N 15 114.4537 0.0000 . 1 . . . A 52 VAL N . 25137 1 645 . 1 1 53 53 ALA H H 1 7.7800 0.0000 . 1 . . . A 53 ALA H . 25137 1 646 . 1 1 53 53 ALA HA H 1 5.6654 0.0000 . 1 . . . A 53 ALA HA . 25137 1 647 . 1 1 53 53 ALA HB1 H 1 1.2240 0.0000 . 1 . . . A 53 ALA HB1 . 25137 1 648 . 1 1 53 53 ALA HB2 H 1 1.2240 0.0000 . 1 . . . A 53 ALA HB2 . 25137 1 649 . 1 1 53 53 ALA HB3 H 1 1.2240 0.0000 . 1 . . . A 53 ALA HB3 . 25137 1 650 . 1 1 53 53 ALA C C 13 175.1000 0.0000 . 1 . . . A 53 ALA C . 25137 1 651 . 1 1 53 53 ALA CA C 13 49.8100 0.0000 . 1 . . . A 53 ALA CA . 25137 1 652 . 1 1 53 53 ALA CB C 13 25.7500 0.0000 . 1 . . . A 53 ALA CB . 25137 1 653 . 1 1 53 53 ALA N N 15 124.6200 0.0000 . 1 . . . A 53 ALA N . 25137 1 654 . 1 1 54 54 VAL H H 1 8.7300 0.0000 . 1 . . . A 54 VAL H . 25137 1 655 . 1 1 54 54 VAL HA H 1 4.6472 0.0000 . 1 . . . A 54 VAL HA . 25137 1 656 . 1 1 54 54 VAL HB H 1 1.9650 0.0000 . 1 . . . A 54 VAL HB . 25137 1 657 . 1 1 54 54 VAL HG11 H 1 0.8925 0.0000 . 2 . . . A 54 VAL HG11 . 25137 1 658 . 1 1 54 54 VAL HG12 H 1 0.8925 0.0000 . 2 . . . A 54 VAL HG12 . 25137 1 659 . 1 1 54 54 VAL HG13 H 1 0.8925 0.0000 . 2 . . . A 54 VAL HG13 . 25137 1 660 . 1 1 54 54 VAL HG21 H 1 1.2258 0.0000 . 2 . . . A 54 VAL HG21 . 25137 1 661 . 1 1 54 54 VAL HG22 H 1 1.2258 0.0000 . 2 . . . A 54 VAL HG22 . 25137 1 662 . 1 1 54 54 VAL HG23 H 1 1.2258 0.0000 . 2 . . . A 54 VAL HG23 . 25137 1 663 . 1 1 54 54 VAL C C 13 174.0200 0.0000 . 1 . . . A 54 VAL C . 25137 1 664 . 1 1 54 54 VAL CA C 13 61.5800 0.0000 . 1 . . . A 54 VAL CA . 25137 1 665 . 1 1 54 54 VAL CB C 13 34.3200 0.0000 . 1 . . . A 54 VAL CB . 25137 1 666 . 1 1 54 54 VAL CG1 C 13 21.7810 0.0000 . 2 . . . A 54 VAL CG1 . 25137 1 667 . 1 1 54 54 VAL CG2 C 13 21.7810 0.0000 . 2 . . . A 54 VAL CG2 . 25137 1 668 . 1 1 54 54 VAL N N 15 118.9500 0.0000 . 1 . . . A 54 VAL N . 25137 1 669 . 1 1 55 55 LEU H H 1 9.2400 0.0000 . 1 . . . A 55 LEU H . 25137 1 670 . 1 1 55 55 LEU HA H 1 4.9530 0.0000 . 1 . 79488 . A 55 LEU HA . 25137 1 671 . 1 1 55 55 LEU HB2 H 1 1.4030 0.0000 . 2 . 78633 . A 55 LEU HB2 . 25137 1 672 . 1 1 55 55 LEU HB3 H 1 2.0168 0.0000 . 2 . 78633 . A 55 LEU HB3 . 25137 1 673 . 1 1 55 55 LEU HG H 1 1.4500 0.0000 . 1 . . . A 55 LEU HG . 25137 1 674 . 1 1 55 55 LEU HD11 H 1 0.5370 0.0000 . 2 . . . A 55 LEU HD11 . 25137 1 675 . 1 1 55 55 LEU HD12 H 1 0.5370 0.0000 . 2 . . . A 55 LEU HD12 . 25137 1 676 . 1 1 55 55 LEU HD13 H 1 0.5370 0.0000 . 2 . . . A 55 LEU HD13 . 25137 1 677 . 1 1 55 55 LEU HD21 H 1 0.2922 0.0000 . 2 . . . A 55 LEU HD21 . 25137 1 678 . 1 1 55 55 LEU HD22 H 1 0.2922 0.0000 . 2 . . . A 55 LEU HD22 . 25137 1 679 . 1 1 55 55 LEU HD23 H 1 0.2922 0.0000 . 2 . . . A 55 LEU HD23 . 25137 1 680 . 1 1 55 55 LEU C C 13 176.1100 0.0000 . 1 . . . A 55 LEU C . 25137 1 681 . 1 1 55 55 LEU CA C 13 53.5400 0.0000 . 1 . . . A 55 LEU CA . 25137 1 682 . 1 1 55 55 LEU CB C 13 42.6900 0.0000 . 1 . . . A 55 LEU CB . 25137 1 683 . 1 1 55 55 LEU CG C 13 27.5000 0.0000 . 1 . . . A 55 LEU CG . 25137 1 684 . 1 1 55 55 LEU CD1 C 13 24.1300 0.0000 . 2 . . . A 55 LEU CD1 . 25137 1 685 . 1 1 55 55 LEU CD2 C 13 25.3360 0.0000 . 2 . . . A 55 LEU CD2 . 25137 1 686 . 1 1 55 55 LEU N N 15 124.8200 0.0000 . 1 . . . A 55 LEU N . 25137 1 687 . 1 1 56 56 ASP H H 1 8.3600 0.0000 . 1 . . . A 56 ASP H . 25137 1 688 . 1 1 56 56 ASP HA H 1 5.6287 0.0000 . 1 . 78573 . A 56 ASP HA . 25137 1 689 . 1 1 56 56 ASP HB2 H 1 3.4008 0.0000 . 2 . 73056 . A 56 ASP HB2 . 25137 1 690 . 1 1 56 56 ASP HB3 H 1 2.4075 0.0000 . 2 . 73053 . A 56 ASP HB3 . 25137 1 691 . 1 1 56 56 ASP C C 13 174.4600 0.0000 . 1 . . . A 56 ASP C . 25137 1 692 . 1 1 56 56 ASP CA C 13 52.9300 0.0000 . 1 . . . A 56 ASP CA . 25137 1 693 . 1 1 56 56 ASP CB C 13 43.4000 0.0000 . 1 . . . A 56 ASP CB . 25137 1 694 . 1 1 56 56 ASP N N 15 124.2200 0.0000 . 1 . . . A 56 ASP N . 25137 1 695 . 1 1 57 57 VAL H H 1 7.0217 0.0000 . 1 . . . A 57 VAL H . 25137 1 696 . 1 1 57 57 VAL HA H 1 4.2387 0.0000 . 1 . 78522 . A 57 VAL HA . 25137 1 697 . 1 1 57 57 VAL HB H 1 1.8478 0.0000 . 1 . 78744 . A 57 VAL HB . 25137 1 698 . 1 1 57 57 VAL HG11 H 1 0.6510 0.0000 . 2 . 71619 . A 57 VAL HG11 . 25137 1 699 . 1 1 57 57 VAL HG12 H 1 0.6510 0.0000 . 2 . 71619 . A 57 VAL HG12 . 25137 1 700 . 1 1 57 57 VAL HG13 H 1 0.6510 0.0000 . 2 . 71619 . A 57 VAL HG13 . 25137 1 701 . 1 1 57 57 VAL HG21 H 1 0.9380 0.0000 . 2 . 71619 . A 57 VAL HG21 . 25137 1 702 . 1 1 57 57 VAL HG22 H 1 0.9380 0.0000 . 2 . 71619 . A 57 VAL HG22 . 25137 1 703 . 1 1 57 57 VAL HG23 H 1 0.9380 0.0000 . 2 . 71619 . A 57 VAL HG23 . 25137 1 704 . 1 1 57 57 VAL C C 13 175.4800 0.0000 . 1 . . . A 57 VAL C . 25137 1 705 . 1 1 57 57 VAL CA C 13 64.5645 0.0000 . 1 . . . A 57 VAL CA . 25137 1 706 . 1 1 57 57 VAL CB C 13 32.5200 0.0000 . 1 . . . A 57 VAL CB . 25137 1 707 . 1 1 57 57 VAL CG1 C 13 21.1620 0.0000 . 2 . . . A 57 VAL CG1 . 25137 1 708 . 1 1 57 57 VAL CG2 C 13 23.3920 0.0000 . 2 . . . A 57 VAL CG2 . 25137 1 709 . 1 1 57 57 VAL N N 15 119.5807 0.0000 . 1 . . . A 57 VAL N . 25137 1 710 . 1 1 58 58 ASN H H 1 8.6000 0.0000 . 1 . . . A 58 ASN H . 25137 1 711 . 1 1 58 58 ASN HA H 1 4.6930 0.0000 . 1 . . . A 58 ASN HA . 25137 1 712 . 1 1 58 58 ASN HB2 H 1 2.9230 0.0000 . 2 . . . A 58 ASN HB2 . 25137 1 713 . 1 1 58 58 ASN HB3 H 1 3.2900 0.0000 . 2 . . . A 58 ASN HB3 . 25137 1 714 . 1 1 58 58 ASN HD21 H 1 7.9243 0.0000 . 2 . . . A 58 ASN HD21 . 25137 1 715 . 1 1 58 58 ASN HD22 H 1 7.0071 0.0000 . 2 . . . A 58 ASN HD22 . 25137 1 716 . 1 1 58 58 ASN C C 13 173.4000 0.0000 . 1 . . . A 58 ASN C . 25137 1 717 . 1 1 58 58 ASN CA C 13 53.5700 0.0000 . 1 . . . A 58 ASN CA . 25137 1 718 . 1 1 58 58 ASN CB C 13 38.8200 0.0000 . 1 . . . A 58 ASN CB . 25137 1 719 . 1 1 58 58 ASN N N 15 114.4900 0.0000 . 1 . . . A 58 ASN N . 25137 1 720 . 1 1 58 58 ASN ND2 N 15 113.8063 0.0000 . 1 . . . A 58 ASN ND2 . 25137 1 721 . 1 1 59 59 LEU H H 1 8.2600 0.0000 . 1 . . . A 59 LEU H . 25137 1 722 . 1 1 59 59 LEU HA H 1 4.6470 0.0000 . 1 . . . A 59 LEU HA . 25137 1 723 . 1 1 59 59 LEU HB2 H 1 1.6130 0.0000 . 2 . . . A 59 LEU HB2 . 25137 1 724 . 1 1 59 59 LEU HB3 H 1 1.2680 0.0000 . 2 . . . A 59 LEU HB3 . 25137 1 725 . 1 1 59 59 LEU HG H 1 1.3800 0.0000 . 1 . . . A 59 LEU HG . 25137 1 726 . 1 1 59 59 LEU HD11 H 1 0.6370 0.0000 . 2 . . . A 59 LEU HD11 . 25137 1 727 . 1 1 59 59 LEU HD12 H 1 0.6370 0.0000 . 2 . . . A 59 LEU HD12 . 25137 1 728 . 1 1 59 59 LEU HD13 H 1 0.6370 0.0000 . 2 . . . A 59 LEU HD13 . 25137 1 729 . 1 1 59 59 LEU HD21 H 1 0.5950 0.0000 . 2 . . . A 59 LEU HD21 . 25137 1 730 . 1 1 59 59 LEU HD22 H 1 0.5950 0.0000 . 2 . . . A 59 LEU HD22 . 25137 1 731 . 1 1 59 59 LEU HD23 H 1 0.5950 0.0000 . 2 . . . A 59 LEU HD23 . 25137 1 732 . 1 1 59 59 LEU C C 13 175.3400 0.0000 . 1 . . . A 59 LEU C . 25137 1 733 . 1 1 59 59 LEU CA C 13 53.5500 0.0000 . 1 . . . A 59 LEU CA . 25137 1 734 . 1 1 59 59 LEU CB C 13 41.4300 0.0000 . 1 . . . A 59 LEU CB . 25137 1 735 . 1 1 59 59 LEU CG C 13 27.1000 0.0000 . 1 . . . A 59 LEU CG . 25137 1 736 . 1 1 59 59 LEU CD1 C 13 26.9100 0.0000 . 2 . . . A 59 LEU CD1 . 25137 1 737 . 1 1 59 59 LEU CD2 C 13 21.8000 0.0000 . 2 . . . A 59 LEU CD2 . 25137 1 738 . 1 1 59 59 LEU N N 15 130.6700 0.0000 . 1 . . . A 59 LEU N . 25137 1 739 . 1 1 60 60 GLY H H 1 7.8600 0.0000 . 1 . . . A 60 GLY H . 25137 1 740 . 1 1 60 60 GLY HA2 H 1 4.4347 0.0000 . 2 . . . A 60 GLY HA2 . 25137 1 741 . 1 1 60 60 GLY HA3 H 1 3.9500 0.0000 . 2 . . . A 60 GLY HA3 . 25137 1 742 . 1 1 60 60 GLY CA C 13 44.6100 0.0000 . 1 . . . A 60 GLY CA . 25137 1 743 . 1 1 60 60 GLY N N 15 109.0300 0.0000 . 1 . . . A 60 GLY N . 25137 1 744 . 1 1 61 61 PRO HA H 1 4.3850 0.0000 . 1 . . . A 61 PRO HA . 25137 1 745 . 1 1 61 61 PRO HB2 H 1 2.3800 0.0000 . 2 . 79929 . A 61 PRO HB2 . 25137 1 746 . 1 1 61 61 PRO HB3 H 1 1.9600 0.0000 . 2 . . . A 61 PRO HB3 . 25137 1 747 . 1 1 61 61 PRO HG2 H 1 1.9900 0.0000 . 2 . 80073 . A 61 PRO HG2 . 25137 1 748 . 1 1 61 61 PRO HG3 H 1 2.0500 0.0000 . 2 . 80073 . A 61 PRO HG3 . 25137 1 749 . 1 1 61 61 PRO HD2 H 1 3.7100 0.0000 . 2 . 71586 . A 61 PRO HD2 . 25137 1 750 . 1 1 61 61 PRO HD3 H 1 3.6300 0.0000 . 2 . 71586 . A 61 PRO HD3 . 25137 1 751 . 1 1 61 61 PRO C C 13 177.9600 0.0000 . 1 . . . A 61 PRO C . 25137 1 752 . 1 1 61 61 PRO CA C 13 64.8879 0.0000 . 1 . 11758 . A 61 PRO CA . 25137 1 753 . 1 1 61 61 PRO CB C 13 32.0701 0.0000 . 1 . 17195 . A 61 PRO CB . 25137 1 754 . 1 1 61 61 PRO CG C 13 27.3960 0.0000 . 1 . . . A 61 PRO CG . 25137 1 755 . 1 1 61 61 PRO CD C 13 49.1800 0.0000 . 1 . . . A 61 PRO CD . 25137 1 756 . 1 1 62 62 LYS H H 1 8.6254 0.0000 . 1 . 11757 . A 62 LYS H . 25137 1 757 . 1 1 62 62 LYS HA H 1 4.5240 0.0000 . 1 . . . A 62 LYS HA . 25137 1 758 . 1 1 62 62 LYS HB2 H 1 2.0411 0.0000 . 2 . 79911 . A 62 LYS HB2 . 25137 1 759 . 1 1 62 62 LYS HB3 H 1 1.6950 0.0000 . 2 . . . A 62 LYS HB3 . 25137 1 760 . 1 1 62 62 LYS HG2 H 1 1.4280 0.0000 . 2 . 75216 . A 62 LYS HG2 . 25137 1 761 . 1 1 62 62 LYS HG3 H 1 1.3620 0.0000 . 2 . . . A 62 LYS HG3 . 25137 1 762 . 1 1 62 62 LYS HD2 H 1 1.6900 0.0000 . 2 . 80004 . A 62 LYS HD2 . 25137 1 763 . 1 1 62 62 LYS HD3 H 1 1.6950 0.0000 . 2 . . . A 62 LYS HD3 . 25137 1 764 . 1 1 62 62 LYS HE2 H 1 2.9810 0.0000 . 2 . 74136 . A 62 LYS HE2 . 25137 1 765 . 1 1 62 62 LYS HE3 H 1 2.9980 0.0000 . 2 . . . A 62 LYS HE3 . 25137 1 766 . 1 1 62 62 LYS C C 13 175.8100 0.0000 . 1 . . . A 62 LYS C . 25137 1 767 . 1 1 62 62 LYS CA C 13 55.4439 0.0000 . 1 . 10849 . A 62 LYS CA . 25137 1 768 . 1 1 62 62 LYS CB C 13 33.2162 0.0000 . 1 . 10903 . A 62 LYS CB . 25137 1 769 . 1 1 62 62 LYS CG C 13 24.8930 0.0000 . 1 . . . A 62 LYS CG . 25137 1 770 . 1 1 62 62 LYS CD C 13 29.0770 0.0000 . 1 . . . A 62 LYS CD . 25137 1 771 . 1 1 62 62 LYS CE C 13 42.4030 0.0000 . 1 . . . A 62 LYS CE . 25137 1 772 . 1 1 62 62 LYS N N 15 115.9842 0.0000 . 1 . 11759 . A 62 LYS N . 25137 1 773 . 1 1 63 63 SER H H 1 7.3893 0.0000 . 1 . 10986 . A 63 SER H . 25137 1 774 . 1 1 63 63 SER HA H 1 4.6090 0.0000 . 1 . . . A 63 SER HA . 25137 1 775 . 1 1 63 63 SER HB2 H 1 3.8180 0.0000 . 2 . 79203 . A 63 SER HB2 . 25137 1 776 . 1 1 63 63 SER HB3 H 1 3.5380 0.0000 . 2 . . . A 63 SER HB3 . 25137 1 777 . 1 1 63 63 SER C C 13 172.5600 0.0000 . 1 . . . A 63 SER C . 25137 1 778 . 1 1 63 63 SER CA C 13 57.7146 0.0000 . 1 . 10957 . A 63 SER CA . 25137 1 779 . 1 1 63 63 SER CB C 13 64.8661 0.0000 . 1 . 10942 . A 63 SER CB . 25137 1 780 . 1 1 63 63 SER N N 15 113.4322 0.0000 . 1 . 10988 . A 63 SER N . 25137 1 781 . 1 1 64 64 HIS H H 1 7.7621 0.0000 . 1 . 11250 . A 64 HIS H . 25137 1 782 . 1 1 64 64 HIS HA H 1 5.8330 0.0000 . 1 . 78564 . A 64 HIS HA . 25137 1 783 . 1 1 64 64 HIS HB2 H 1 2.8901 0.0000 . 2 . . . A 64 HIS HB2 . 25137 1 784 . 1 1 64 64 HIS HB3 H 1 2.7070 0.0000 . 2 . . . A 64 HIS HB3 . 25137 1 785 . 1 1 64 64 HIS HD2 H 1 6.9200 0.0000 . 1 . . . A 64 HIS HD2 . 25137 1 786 . 1 1 64 64 HIS HE1 H 1 7.8120 0.0000 . 1 . . . A 64 HIS HE1 . 25137 1 787 . 1 1 64 64 HIS C C 13 176.2100 0.0000 . 1 . . . A 64 HIS C . 25137 1 788 . 1 1 64 64 HIS CA C 13 54.0060 0.0000 . 1 . 10039 . A 64 HIS CA . 25137 1 789 . 1 1 64 64 HIS CB C 13 34.0921 0.0000 . 1 . 10135 . A 64 HIS CB . 25137 1 790 . 1 1 64 64 HIS CD2 C 13 118.1900 0.0000 . 1 . . . A 64 HIS CD2 . 25137 1 791 . 1 1 64 64 HIS CE1 C 13 138.5685 0.0000 . 1 . . . A 64 HIS CE1 . 25137 1 792 . 1 1 64 64 HIS N N 15 122.5800 0.0000 . 1 . 11252 . A 64 HIS N . 25137 1 793 . 1 1 65 65 CYS H H 1 7.9460 0.0000 . 1 . 10998 . A 65 CYS H . 25137 1 794 . 1 1 65 65 CYS HA H 1 4.3416 0.0000 . 1 . 79353 . A 65 CYS HA . 25137 1 795 . 1 1 65 65 CYS HB2 H 1 3.1978 0.0000 . 2 . 75639 . A 65 CYS HB2 . 25137 1 796 . 1 1 65 65 CYS HB3 H 1 3.5867 0.0000 . 2 . . . A 65 CYS HB3 . 25137 1 797 . 1 1 65 65 CYS HG H 1 1.1140 0.0000 . 1 . . . A 65 CYS HG . 25137 1 798 . 1 1 65 65 CYS C C 13 175.8805 0.0000 . 1 . . . A 65 CYS C . 25137 1 799 . 1 1 65 65 CYS CA C 13 57.9800 0.0000 . 1 . 17982 . A 65 CYS CA . 25137 1 800 . 1 1 65 65 CYS CB C 13 29.7900 0.0000 . 1 . . . A 65 CYS CB . 25137 1 801 . 1 1 65 65 CYS N N 15 111.4785 0.0000 . 1 . 11000 . A 65 CYS N . 25137 1 802 . 1 1 66 66 GLY H H 1 11.2900 0.0000 . 1 . 11547 . A 66 GLY H . 25137 1 803 . 1 1 66 66 GLY HA2 H 1 3.7200 0.0000 . 2 . . . A 66 GLY HA2 . 25137 1 804 . 1 1 66 66 GLY HA3 H 1 4.3715 0.0000 . 2 . . . A 66 GLY HA3 . 25137 1 805 . 1 1 66 66 GLY CA C 13 48.8800 0.0000 . 1 . . . A 66 GLY CA . 25137 1 806 . 1 1 66 66 GLY N N 15 120.3400 0.0000 . 1 . 11549 . A 66 GLY N . 25137 1 807 . 1 1 67 67 PRO HA H 1 4.3861 0.0000 . 1 . . . A 67 PRO HA . 25137 1 808 . 1 1 67 67 PRO HB2 H 1 1.5500 0.0000 . 2 . . . A 67 PRO HB2 . 25137 1 809 . 1 1 67 67 PRO HB3 H 1 2.4700 0.0000 . 2 . . . A 67 PRO HB3 . 25137 1 810 . 1 1 67 67 PRO HG2 H 1 2.0500 0.0000 . 2 . 78804 . A 67 PRO HG2 . 25137 1 811 . 1 1 67 67 PRO HG3 H 1 1.9900 0.0000 . 2 . 78804 . A 67 PRO HG3 . 25137 1 812 . 1 1 67 67 PRO HD2 H 1 3.8700 0.0000 . 2 . . . A 67 PRO HD2 . 25137 1 813 . 1 1 67 67 PRO HD3 H 1 3.5100 0.0000 . 2 . . . A 67 PRO HD3 . 25137 1 814 . 1 1 67 67 PRO C C 13 179.8600 0.0000 . 1 . . . A 67 PRO C . 25137 1 815 . 1 1 67 67 PRO CA C 13 65.3883 0.0000 . 1 . . . A 67 PRO CA . 25137 1 816 . 1 1 67 67 PRO CB C 13 32.9700 0.0000 . 1 . 10798 . A 67 PRO CB . 25137 1 817 . 1 1 67 67 PRO CG C 13 28.2116 0.0000 . 1 . . . A 67 PRO CG . 25137 1 818 . 1 1 67 67 PRO CD C 13 50.7277 0.0000 . 1 . . . A 67 PRO CD . 25137 1 819 . 1 1 68 68 VAL H H 1 7.4710 0.0000 . 1 . 11697 . A 68 VAL H . 25137 1 820 . 1 1 68 68 VAL HA H 1 3.4940 0.0000 . 1 . . . A 68 VAL HA . 25137 1 821 . 1 1 68 68 VAL HB H 1 1.9263 0.0000 . 1 . . . A 68 VAL HB . 25137 1 822 . 1 1 68 68 VAL HG11 H 1 0.5942 0.0000 . 2 . . . A 68 VAL HG11 . 25137 1 823 . 1 1 68 68 VAL HG12 H 1 0.5942 0.0000 . 2 . . . A 68 VAL HG12 . 25137 1 824 . 1 1 68 68 VAL HG13 H 1 0.5942 0.0000 . 2 . . . A 68 VAL HG13 . 25137 1 825 . 1 1 68 68 VAL HG21 H 1 0.9001 0.0000 . 2 . . . A 68 VAL HG21 . 25137 1 826 . 1 1 68 68 VAL HG22 H 1 0.9001 0.0000 . 2 . . . A 68 VAL HG22 . 25137 1 827 . 1 1 68 68 VAL HG23 H 1 0.9001 0.0000 . 2 . . . A 68 VAL HG23 . 25137 1 828 . 1 1 68 68 VAL C C 13 176.3500 0.0000 . 1 . . . A 68 VAL C . 25137 1 829 . 1 1 68 68 VAL CA C 13 64.8393 0.0000 . 1 . 10711 . A 68 VAL CA . 25137 1 830 . 1 1 68 68 VAL CB C 13 31.3960 0.0000 . 1 . 10810 . A 68 VAL CB . 25137 1 831 . 1 1 68 68 VAL CG1 C 13 22.0250 0.0000 . 2 . . . A 68 VAL CG1 . 25137 1 832 . 1 1 68 68 VAL CG2 C 13 24.1380 0.0000 . 2 . . . A 68 VAL CG2 . 25137 1 833 . 1 1 68 68 VAL N N 15 116.5643 0.0000 . 1 . 11699 . A 68 VAL N . 25137 1 834 . 1 1 69 69 ALA H H 1 7.8799 0.0000 . 1 . 11247 . A 69 ALA H . 25137 1 835 . 1 1 69 69 ALA HA H 1 3.0846 0.0000 . 1 . 79461 . A 69 ALA HA . 25137 1 836 . 1 1 69 69 ALA HB1 H 1 1.2660 0.0000 . 1 . . . A 69 ALA HB1 . 25137 1 837 . 1 1 69 69 ALA HB2 H 1 1.2660 0.0000 . 1 . . . A 69 ALA HB2 . 25137 1 838 . 1 1 69 69 ALA HB3 H 1 1.2660 0.0000 . 1 . . . A 69 ALA HB3 . 25137 1 839 . 1 1 69 69 ALA C C 13 179.2800 0.0000 . 1 . . . A 69 ALA C . 25137 1 840 . 1 1 69 69 ALA CA C 13 55.2090 0.0000 . 1 . 10036 . A 69 ALA CA . 25137 1 841 . 1 1 69 69 ALA CB C 13 18.1407 0.0000 . 1 . 10183 . A 69 ALA CB . 25137 1 842 . 1 1 69 69 ALA N N 15 122.8247 0.0000 . 1 . 11249 . A 69 ALA N . 25137 1 843 . 1 1 70 70 ASP H H 1 8.3158 0.0000 . 1 . 12402 . A 70 ASP H . 25137 1 844 . 1 1 70 70 ASP HA H 1 4.3140 0.0000 . 1 . . . A 70 ASP HA . 25137 1 845 . 1 1 70 70 ASP HB2 H 1 2.5800 0.0000 . 2 . 74304 . A 70 ASP HB2 . 25137 1 846 . 1 1 70 70 ASP HB3 H 1 2.5810 0.0000 . 2 . . . A 70 ASP HB3 . 25137 1 847 . 1 1 70 70 ASP C C 13 178.3000 0.0000 . 1 . . . A 70 ASP C . 25137 1 848 . 1 1 70 70 ASP CA C 13 57.5296 0.0000 . 1 . 11293 . A 70 ASP CA . 25137 1 849 . 1 1 70 70 ASP CB C 13 40.5817 0.0000 . 1 . 10891 . A 70 ASP CB . 25137 1 850 . 1 1 70 70 ASP N N 15 116.2688 0.0000 . 1 . 12404 . A 70 ASP N . 25137 1 851 . 1 1 71 71 ALA H H 1 7.1561 0.0000 . 1 . 11361 . A 71 ALA H . 25137 1 852 . 1 1 71 71 ALA HA H 1 4.0453 0.0000 . 1 . 72822 . A 71 ALA HA . 25137 1 853 . 1 1 71 71 ALA HB1 H 1 1.3570 0.0000 . 1 . . . A 71 ALA HB1 . 25137 1 854 . 1 1 71 71 ALA HB2 H 1 1.3570 0.0000 . 1 . . . A 71 ALA HB2 . 25137 1 855 . 1 1 71 71 ALA HB3 H 1 1.3570 0.0000 . 1 . . . A 71 ALA HB3 . 25137 1 856 . 1 1 71 71 ALA C C 13 180.7000 0.0000 . 1 . . . A 71 ALA C . 25137 1 857 . 1 1 71 71 ALA CA C 13 55.0615 0.0000 . 1 . 10042 . A 71 ALA CA . 25137 1 858 . 1 1 71 71 ALA CB C 13 18.6753 0.0000 . 1 . 10186 . A 71 ALA CB . 25137 1 859 . 1 1 71 71 ALA N N 15 122.7710 0.0000 . 1 . 11363 . A 71 ALA N . 25137 1 860 . 1 1 72 72 LEU H H 1 8.2498 0.0000 . 1 . 10701 . A 72 LEU H . 25137 1 861 . 1 1 72 72 LEU HA H 1 3.8238 0.0000 . 1 . . . A 72 LEU HA . 25137 1 862 . 1 1 72 72 LEU HB2 H 1 1.6000 0.0000 . 2 . . . A 72 LEU HB2 . 25137 1 863 . 1 1 72 72 LEU HB3 H 1 1.6754 0.0000 . 2 . . . A 72 LEU HB3 . 25137 1 864 . 1 1 72 72 LEU HG H 1 1.5700 0.0000 . 1 . 79788 . A 72 LEU HG . 25137 1 865 . 1 1 72 72 LEU HD11 H 1 0.2100 0.0000 . 2 . . . A 72 LEU HD11 . 25137 1 866 . 1 1 72 72 LEU HD12 H 1 0.2100 0.0000 . 2 . . . A 72 LEU HD12 . 25137 1 867 . 1 1 72 72 LEU HD13 H 1 0.2100 0.0000 . 2 . . . A 72 LEU HD13 . 25137 1 868 . 1 1 72 72 LEU HD21 H 1 0.6100 0.0000 . 2 . 77124 . A 72 LEU HD21 . 25137 1 869 . 1 1 72 72 LEU HD22 H 1 0.6100 0.0000 . 2 . 77124 . A 72 LEU HD22 . 25137 1 870 . 1 1 72 72 LEU HD23 H 1 0.6100 0.0000 . 2 . 77124 . A 72 LEU HD23 . 25137 1 871 . 1 1 72 72 LEU C C 13 179.5600 0.0000 . 1 . . . A 72 LEU C . 25137 1 872 . 1 1 72 72 LEU CA C 13 58.3514 0.0000 . 1 . 10525 . A 72 LEU CA . 25137 1 873 . 1 1 72 72 LEU CB C 13 40.4369 0.0000 . 1 . 10627 . A 72 LEU CB . 25137 1 874 . 1 1 72 72 LEU CG C 13 26.2000 0.0000 . 1 . . . A 72 LEU CG . 25137 1 875 . 1 1 72 72 LEU CD1 C 13 28.7500 0.0000 . 2 . . . A 72 LEU CD1 . 25137 1 876 . 1 1 72 72 LEU CD2 C 13 24.9000 0.0000 . 2 . . . A 72 LEU CD2 . 25137 1 877 . 1 1 72 72 LEU N N 15 119.0208 0.0000 . 1 . 10703 . A 72 LEU N . 25137 1 878 . 1 1 73 73 LYS H H 1 8.3829 0.0000 . 1 . 11649 . A 73 LYS H . 25137 1 879 . 1 1 73 73 LYS HA H 1 4.4310 0.0000 . 1 . . . A 73 LYS HA . 25137 1 880 . 1 1 73 73 LYS HB2 H 1 2.1246 0.0000 . 2 . . . A 73 LYS HB2 . 25137 1 881 . 1 1 73 73 LYS HB3 H 1 2.0498 0.0000 . 2 . . . A 73 LYS HB3 . 25137 1 882 . 1 1 73 73 LYS HG2 H 1 1.6414 0.0000 . 2 . 76746 . A 73 LYS HG2 . 25137 1 883 . 1 1 73 73 LYS HG3 H 1 1.8072 0.0000 . 2 . . . A 73 LYS HG3 . 25137 1 884 . 1 1 73 73 LYS HD2 H 1 1.8800 0.0000 . 2 . 78783 . A 73 LYS HD2 . 25137 1 885 . 1 1 73 73 LYS HD3 H 1 1.8500 0.0000 . 2 . . . A 73 LYS HD3 . 25137 1 886 . 1 1 73 73 LYS HE2 H 1 3.1070 0.0000 . 2 . 79731 . A 73 LYS HE2 . 25137 1 887 . 1 1 73 73 LYS HE3 H 1 3.1070 0.0000 . 2 . . . A 73 LYS HE3 . 25137 1 888 . 1 1 73 73 LYS C C 13 181.3100 0.0000 . 1 . . . A 73 LYS C . 25137 1 889 . 1 1 73 73 LYS CA C 13 59.3070 0.0000 . 1 . 10522 . A 73 LYS CA . 25137 1 890 . 1 1 73 73 LYS CB C 13 32.4039 0.0000 . 1 . 10669 . A 73 LYS CB . 25137 1 891 . 1 1 73 73 LYS CG C 13 25.3370 0.0000 . 1 . . . A 73 LYS CG . 25137 1 892 . 1 1 73 73 LYS CD C 13 29.3260 0.0000 . 1 . . . A 73 LYS CD . 25137 1 893 . 1 1 73 73 LYS CE C 13 42.4850 0.0000 . 1 . . . A 73 LYS CE . 25137 1 894 . 1 1 73 73 LYS N N 15 120.0865 0.0000 . 1 . 11651 . A 73 LYS N . 25137 1 895 . 1 1 74 74 GLN H H 1 8.0148 0.0000 . 1 . 11664 . A 74 GLN H . 25137 1 896 . 1 1 74 74 GLN HA H 1 4.0740 0.0000 . 1 . . . A 74 GLN HA . 25137 1 897 . 1 1 74 74 GLN HB2 H 1 2.1826 0.0000 . 2 . 78780 . A 74 GLN HB2 . 25137 1 898 . 1 1 74 74 GLN HB3 H 1 2.1803 0.0000 . 2 . 78780 . A 74 GLN HB3 . 25137 1 899 . 1 1 74 74 GLN HG2 H 1 2.5370 0.0000 . 2 . . . A 74 GLN HG2 . 25137 1 900 . 1 1 74 74 GLN HG3 H 1 2.4720 0.0000 . 2 . . . A 74 GLN HG3 . 25137 1 901 . 1 1 74 74 GLN HE21 H 1 7.4391 0.0000 . 2 . . . A 74 GLN HE21 . 25137 1 902 . 1 1 74 74 GLN HE22 H 1 6.7952 0.0000 . 2 . . . A 74 GLN HE22 . 25137 1 903 . 1 1 74 74 GLN C C 13 177.6200 0.0000 . 1 . . . A 74 GLN C . 25137 1 904 . 1 1 74 74 GLN CA C 13 58.8337 0.0000 . 1 . 10537 . A 74 GLN CA . 25137 1 905 . 1 1 74 74 GLN CB C 13 28.5051 0.0000 . 1 . 10684 . A 74 GLN CB . 25137 1 906 . 1 1 74 74 GLN CG C 13 33.8900 0.0000 . 1 . . . A 74 GLN CG . 25137 1 907 . 1 1 74 74 GLN N N 15 118.9818 0.0000 . 1 . 11666 . A 74 GLN N . 25137 1 908 . 1 1 74 74 GLN NE2 N 15 111.8900 0.0000 . 1 . . . A 74 GLN NE2 . 25137 1 909 . 1 1 75 75 ARG H H 1 7.2400 0.0000 . 1 . 10812 . A 75 ARG H . 25137 1 910 . 1 1 75 75 ARG HA H 1 4.2720 0.0000 . 1 . . . A 75 ARG HA . 25137 1 911 . 1 1 75 75 ARG HB2 H 1 2.2511 0.0000 . 2 . 79923 . A 75 ARG HB2 . 25137 1 912 . 1 1 75 75 ARG HB3 H 1 1.5269 0.0000 . 2 . . . A 75 ARG HB3 . 25137 1 913 . 1 1 75 75 ARG HG2 H 1 1.7060 0.0000 . 2 . 78795 . A 75 ARG HG2 . 25137 1 914 . 1 1 75 75 ARG HG3 H 1 1.7779 0.0000 . 2 . 78795 . A 75 ARG HG3 . 25137 1 915 . 1 1 75 75 ARG HD2 H 1 3.0450 0.0000 . 2 . 73899 . A 75 ARG HD2 . 25137 1 916 . 1 1 75 75 ARG HD3 H 1 3.1138 0.0000 . 2 . . . A 75 ARG HD3 . 25137 1 917 . 1 1 75 75 ARG C C 13 174.3100 0.0000 . 1 . . . A 75 ARG C . 25137 1 918 . 1 1 75 75 ARG CA C 13 55.9500 0.0000 . 1 . 34277 . A 75 ARG CA . 25137 1 919 . 1 1 75 75 ARG CB C 13 31.7800 0.0000 . 1 . 34289 . A 75 ARG CB . 25137 1 920 . 1 1 75 75 ARG CG C 13 27.9585 0.0000 . 1 . . . A 75 ARG CG . 25137 1 921 . 1 1 75 75 ARG CD C 13 43.3930 0.0000 . 1 . . . A 75 ARG CD . 25137 1 922 . 1 1 75 75 ARG N N 15 116.7700 0.0000 . 1 . 10814 . A 75 ARG N . 25137 1 923 . 1 1 76 76 ALA H H 1 8.0651 0.0000 . 1 . 11319 . A 76 ALA H . 25137 1 924 . 1 1 76 76 ALA HA H 1 4.0500 0.0000 . 1 . . . A 76 ALA HA . 25137 1 925 . 1 1 76 76 ALA HB1 H 1 1.4870 0.0000 . 1 . . . A 76 ALA HB1 . 25137 1 926 . 1 1 76 76 ALA HB2 H 1 1.4870 0.0000 . 1 . . . A 76 ALA HB2 . 25137 1 927 . 1 1 76 76 ALA HB3 H 1 1.4870 0.0000 . 1 . . . A 76 ALA HB3 . 25137 1 928 . 1 1 76 76 ALA C C 13 176.2400 0.0000 . 1 . . . A 76 ALA C . 25137 1 929 . 1 1 76 76 ALA CA C 13 53.1700 0.0000 . 1 . . . A 76 ALA CA . 25137 1 930 . 1 1 76 76 ALA CB C 13 16.6500 0.0000 . 1 . . . A 76 ALA CB . 25137 1 931 . 1 1 76 76 ALA N N 15 122.0200 0.0000 . 1 . 11321 . A 76 ALA N . 25137 1 932 . 1 1 77 77 ILE H H 1 8.0800 0.0000 . 1 . . . A 77 ILE H . 25137 1 933 . 1 1 77 77 ILE HA H 1 4.5020 0.0000 . 1 . 72066 . A 77 ILE HA . 25137 1 934 . 1 1 77 77 ILE HB H 1 1.5600 0.0000 . 1 . 74655 . A 77 ILE HB . 25137 1 935 . 1 1 77 77 ILE HG12 H 1 1.0783 0.0000 . 2 . 74661 . A 77 ILE HG12 . 25137 1 936 . 1 1 77 77 ILE HG13 H 1 1.6127 0.0000 . 2 . 74661 . A 77 ILE HG13 . 25137 1 937 . 1 1 77 77 ILE HG21 H 1 0.8210 0.0000 . 1 . . . A 77 ILE HG21 . 25137 1 938 . 1 1 77 77 ILE HG22 H 1 0.8210 0.0000 . 1 . . . A 77 ILE HG22 . 25137 1 939 . 1 1 77 77 ILE HG23 H 1 0.8210 0.0000 . 1 . . . A 77 ILE HG23 . 25137 1 940 . 1 1 77 77 ILE HD11 H 1 0.8195 0.0000 . 1 . . . A 77 ILE HD11 . 25137 1 941 . 1 1 77 77 ILE HD12 H 1 0.8195 0.0000 . 1 . . . A 77 ILE HD12 . 25137 1 942 . 1 1 77 77 ILE HD13 H 1 0.8195 0.0000 . 1 . . . A 77 ILE HD13 . 25137 1 943 . 1 1 77 77 ILE CA C 13 58.6100 0.0000 . 1 . . . A 77 ILE CA . 25137 1 944 . 1 1 77 77 ILE CB C 13 40.0000 0.0000 . 1 . . . A 77 ILE CB . 25137 1 945 . 1 1 77 77 ILE CG1 C 13 27.8532 0.0000 . 1 . . . A 77 ILE CG1 . 25137 1 946 . 1 1 77 77 ILE CG2 C 13 16.4900 0.0000 . 1 . . . A 77 ILE CG2 . 25137 1 947 . 1 1 77 77 ILE CD1 C 13 15.2278 0.0000 . 1 . . . A 77 ILE CD1 . 25137 1 948 . 1 1 77 77 ILE N N 15 122.3000 0.0000 . 1 . . . A 77 ILE N . 25137 1 949 . 1 1 78 78 PRO HA H 1 4.4540 0.0000 . 1 . . . A 78 PRO HA . 25137 1 950 . 1 1 78 78 PRO HB2 H 1 2.0840 0.0000 . 2 . . . A 78 PRO HB2 . 25137 1 951 . 1 1 78 78 PRO HB3 H 1 2.3783 0.0000 . 2 . . . A 78 PRO HB3 . 25137 1 952 . 1 1 78 78 PRO HG2 H 1 2.0734 0.0000 . 2 . 78813 . A 78 PRO HG2 . 25137 1 953 . 1 1 78 78 PRO HG3 H 1 2.2293 0.0000 . 2 . 78813 . A 78 PRO HG3 . 25137 1 954 . 1 1 78 78 PRO HD2 H 1 4.2270 0.0000 . 2 . . . A 78 PRO HD2 . 25137 1 955 . 1 1 78 78 PRO HD3 H 1 3.8880 0.0000 . 2 . . . A 78 PRO HD3 . 25137 1 956 . 1 1 78 78 PRO C C 13 174.6800 0.0000 . 1 . . . A 78 PRO C . 25137 1 957 . 1 1 78 78 PRO CA C 13 62.6217 0.0000 . 1 . 13853 . A 78 PRO CA . 25137 1 958 . 1 1 78 78 PRO CB C 13 32.7715 0.0000 . 1 . 11875 . A 78 PRO CB . 25137 1 959 . 1 1 78 78 PRO CG C 13 26.9380 0.0000 . 1 . . . A 78 PRO CG . 25137 1 960 . 1 1 78 78 PRO CD C 13 50.9900 0.0000 . 1 . . . A 78 PRO CD . 25137 1 961 . 1 1 79 79 PHE H H 1 7.4625 0.0000 . 1 . 11847 . A 79 PHE H . 25137 1 962 . 1 1 79 79 PHE HA H 1 5.6561 0.0000 . 1 . 79026 . A 79 PHE HA . 25137 1 963 . 1 1 79 79 PHE HB2 H 1 2.6480 0.0000 . 2 . . . A 79 PHE HB2 . 25137 1 964 . 1 1 79 79 PHE HB3 H 1 3.1531 0.0000 . 2 . . . A 79 PHE HB3 . 25137 1 965 . 1 1 79 79 PHE HD1 H 1 7.0400 0.0000 . 3 . . . A 79 PHE HD1 . 25137 1 966 . 1 1 79 79 PHE HD2 H 1 7.0400 0.0000 . 3 . . . A 79 PHE HD2 . 25137 1 967 . 1 1 79 79 PHE HE1 H 1 7.0430 0.0000 . 3 . . . A 79 PHE HE1 . 25137 1 968 . 1 1 79 79 PHE HE2 H 1 7.0430 0.0000 . 3 . . . A 79 PHE HE2 . 25137 1 969 . 1 1 79 79 PHE HZ H 1 7.0500 0.0000 . 1 . . . A 79 PHE HZ . 25137 1 970 . 1 1 79 79 PHE C C 13 172.7800 0.0000 . 1 . . . A 79 PHE C . 25137 1 971 . 1 1 79 79 PHE CA C 13 55.6120 0.0000 . 1 . 82817 . A 79 PHE CA . 25137 1 972 . 1 1 79 79 PHE CB C 13 42.1805 0.0000 . 1 . 82818 . A 79 PHE CB . 25137 1 973 . 1 1 79 79 PHE CD1 C 13 132.9138 0.0000 . 3 . . . A 79 PHE CD1 . 25137 1 974 . 1 1 79 79 PHE CD2 C 13 132.9138 0.0000 . 3 . . . A 79 PHE CD2 . 25137 1 975 . 1 1 79 79 PHE CE1 C 13 130.4800 0.0000 . 3 . . . A 79 PHE CE1 . 25137 1 976 . 1 1 79 79 PHE CE2 C 13 130.4800 0.0000 . 3 . . . A 79 PHE CE2 . 25137 1 977 . 1 1 79 79 PHE CZ C 13 128.6030 0.0000 . 1 . . . A 79 PHE CZ . 25137 1 978 . 1 1 79 79 PHE N N 15 109.8004 0.0000 . 1 . 11849 . A 79 PHE N . 25137 1 979 . 1 1 80 80 ILE H H 1 8.0244 0.0000 . 1 . 10866 . A 80 ILE H . 25137 1 980 . 1 1 80 80 ILE HA H 1 4.5450 0.0000 . 1 . . . A 80 ILE HA . 25137 1 981 . 1 1 80 80 ILE HB H 1 1.5800 0.0000 . 1 . . . A 80 ILE HB . 25137 1 982 . 1 1 80 80 ILE HG12 H 1 1.5158 0.0000 . 2 . 78798 . A 80 ILE HG12 . 25137 1 983 . 1 1 80 80 ILE HG13 H 1 0.9118 0.0000 . 2 . 78798 . A 80 ILE HG13 . 25137 1 984 . 1 1 80 80 ILE HG21 H 1 0.8100 0.0000 . 1 . . . A 80 ILE HG21 . 25137 1 985 . 1 1 80 80 ILE HG22 H 1 0.8100 0.0000 . 1 . . . A 80 ILE HG22 . 25137 1 986 . 1 1 80 80 ILE HG23 H 1 0.8100 0.0000 . 1 . . . A 80 ILE HG23 . 25137 1 987 . 1 1 80 80 ILE HD11 H 1 0.7720 0.0000 . 1 . . . A 80 ILE HD11 . 25137 1 988 . 1 1 80 80 ILE HD12 H 1 0.7720 0.0000 . 1 . . . A 80 ILE HD12 . 25137 1 989 . 1 1 80 80 ILE HD13 H 1 0.7720 0.0000 . 1 . . . A 80 ILE HD13 . 25137 1 990 . 1 1 80 80 ILE C C 13 174.7500 0.0000 . 1 . . . A 80 ILE C . 25137 1 991 . 1 1 80 80 ILE CA C 13 58.9140 0.0000 . 1 . 82819 . A 80 ILE CA . 25137 1 992 . 1 1 80 80 ILE CB C 13 43.0792 0.0000 . 1 . 82820 . A 80 ILE CB . 25137 1 993 . 1 1 80 80 ILE CG1 C 13 28.1180 0.0000 . 1 . . . A 80 ILE CG1 . 25137 1 994 . 1 1 80 80 ILE CG2 C 13 17.7210 0.0000 . 1 . . . A 80 ILE CG2 . 25137 1 995 . 1 1 80 80 ILE CD1 C 13 14.3970 0.0000 . 1 . . . A 80 ILE CD1 . 25137 1 996 . 1 1 80 80 ILE N N 15 114.7465 0.0000 . 1 . 10868 . A 80 ILE N . 25137 1 997 . 1 1 81 81 LEU H H 1 8.9346 0.0000 . 1 . 11214 . A 81 LEU H . 25137 1 998 . 1 1 81 81 LEU HA H 1 5.4697 0.0000 . 1 . 79473 . A 81 LEU HA . 25137 1 999 . 1 1 81 81 LEU HB2 H 1 2.0013 0.0000 . 2 . 79725 . A 81 LEU HB2 . 25137 1 1000 . 1 1 81 81 LEU HB3 H 1 1.1500 0.0000 . 2 . 79725 . A 81 LEU HB3 . 25137 1 1001 . 1 1 81 81 LEU HG H 1 1.7310 0.0000 . 1 . 76350 . A 81 LEU HG . 25137 1 1002 . 1 1 81 81 LEU HD11 H 1 0.9210 0.0000 . 2 . . . A 81 LEU HD11 . 25137 1 1003 . 1 1 81 81 LEU HD12 H 1 0.9210 0.0000 . 2 . . . A 81 LEU HD12 . 25137 1 1004 . 1 1 81 81 LEU HD13 H 1 0.9210 0.0000 . 2 . . . A 81 LEU HD13 . 25137 1 1005 . 1 1 81 81 LEU HD21 H 1 0.8980 0.0000 . 2 . . . A 81 LEU HD21 . 25137 1 1006 . 1 1 81 81 LEU HD22 H 1 0.8980 0.0000 . 2 . . . A 81 LEU HD22 . 25137 1 1007 . 1 1 81 81 LEU HD23 H 1 0.8980 0.0000 . 2 . . . A 81 LEU HD23 . 25137 1 1008 . 1 1 81 81 LEU C C 13 175.6200 0.0000 . 1 . . . A 81 LEU C . 25137 1 1009 . 1 1 81 81 LEU CA C 13 53.3450 0.0000 . 1 . 82821 . A 81 LEU CA . 25137 1 1010 . 1 1 81 81 LEU CB C 13 43.3039 0.0000 . 1 . 82822 . A 81 LEU CB . 25137 1 1011 . 1 1 81 81 LEU CG C 13 27.1883 0.0000 . 1 . . . A 81 LEU CG . 25137 1 1012 . 1 1 81 81 LEU CD1 C 13 25.0840 0.0000 . 2 . . . A 81 LEU CD1 . 25137 1 1013 . 1 1 81 81 LEU CD2 C 13 26.4370 0.0000 . 2 . . . A 81 LEU CD2 . 25137 1 1014 . 1 1 81 81 LEU N N 15 124.4498 0.0000 . 1 . 11216 . A 81 LEU N . 25137 1 1015 . 1 1 82 82 HIS H H 1 8.8284 0.0000 . 1 . 9771 . A 82 HIS H . 25137 1 1016 . 1 1 82 82 HIS HA H 1 5.8797 0.0000 . 1 . 78573 . A 82 HIS HA . 25137 1 1017 . 1 1 82 82 HIS HB2 H 1 3.1040 0.0000 . 2 . . . A 82 HIS HB2 . 25137 1 1018 . 1 1 82 82 HIS HB3 H 1 2.3701 0.0000 . 2 . . . A 82 HIS HB3 . 25137 1 1019 . 1 1 82 82 HIS HD2 H 1 6.7419 0.0000 . 1 . . . A 82 HIS HD2 . 25137 1 1020 . 1 1 82 82 HIS HE1 H 1 7.2138 0.0000 . 1 . . . A 82 HIS HE1 . 25137 1 1021 . 1 1 82 82 HIS C C 13 172.7300 0.0000 . 1 . . . A 82 HIS C . 25137 1 1022 . 1 1 82 82 HIS CA C 13 52.9470 0.0000 . 1 . . . A 82 HIS CA . 25137 1 1023 . 1 1 82 82 HIS CB C 13 31.1714 0.0000 . 1 . 82823 . A 82 HIS CB . 25137 1 1024 . 1 1 82 82 HIS CD2 C 13 127.4300 0.0000 . 1 . . . A 82 HIS CD2 . 25137 1 1025 . 1 1 82 82 HIS CE1 C 13 136.0888 0.0000 . 1 . . . A 82 HIS CE1 . 25137 1 1026 . 1 1 82 82 HIS N N 15 126.1666 0.0000 . 1 . 9773 . A 82 HIS N . 25137 1 1027 . 1 1 83 83 THR H H 1 7.2517 0.0000 . 1 . 12462 . A 83 THR H . 25137 1 1028 . 1 1 83 83 THR HA H 1 5.3051 0.0000 . 1 . 72138 . A 83 THR HA . 25137 1 1029 . 1 1 83 83 THR HB H 1 4.0810 0.0000 . 1 . . . A 83 THR HB . 25137 1 1030 . 1 1 83 83 THR HG1 H 1 6.5600 0.0000 . 1 . . . A 83 THR HG1 . 25137 1 1031 . 1 1 83 83 THR HG21 H 1 0.9574 0.0000 . 1 . . . A 83 THR HG21 . 25137 1 1032 . 1 1 83 83 THR HG22 H 1 0.9574 0.0000 . 1 . . . A 83 THR HG22 . 25137 1 1033 . 1 1 83 83 THR HG23 H 1 0.9574 0.0000 . 1 . . . A 83 THR HG23 . 25137 1 1034 . 1 1 83 83 THR C C 13 172.8000 0.0000 . 1 . . . A 83 THR C . 25137 1 1035 . 1 1 83 83 THR CA C 13 58.8066 0.0000 . 1 . 10960 . A 83 THR CA . 25137 1 1036 . 1 1 83 83 THR CB C 13 69.3664 0.0000 . 1 . 82825 . A 83 THR CB . 25137 1 1037 . 1 1 83 83 THR CG2 C 13 18.0738 0.0000 . 1 . . . A 83 THR CG2 . 25137 1 1038 . 1 1 83 83 THR N N 15 114.0005 0.0000 . 1 . 12464 . A 83 THR N . 25137 1 1039 . 1 1 84 84 GLY H H 1 8.4834 0.0000 . 1 . 10881 . A 84 GLY H . 25137 1 1040 . 1 1 84 84 GLY HA2 H 1 4.7054 0.0000 . 2 . . . A 84 GLY HA2 . 25137 1 1041 . 1 1 84 84 GLY HA3 H 1 3.8123 0.0000 . 2 . . . A 84 GLY HA3 . 25137 1 1042 . 1 1 84 84 GLY C C 13 173.7640 0.0000 . 1 . . . A 84 GLY C . 25137 1 1043 . 1 1 84 84 GLY CA C 13 45.2838 0.0000 . 1 . 82826 . A 84 GLY CA . 25137 1 1044 . 1 1 84 84 GLY N N 15 115.6658 0.0000 . 1 . 10883 . A 84 GLY N . 25137 1 1045 . 1 1 85 85 ASP H H 1 8.5100 0.0000 . 1 . 11499 . A 85 ASP H . 25137 1 1046 . 1 1 85 85 ASP HA H 1 4.9817 0.0000 . 1 . 79047 . A 85 ASP HA . 25137 1 1047 . 1 1 85 85 ASP HB2 H 1 2.8640 0.0000 . 2 . . . A 85 ASP HB2 . 25137 1 1048 . 1 1 85 85 ASP HB3 H 1 2.4871 0.0000 . 2 . . . A 85 ASP HB3 . 25137 1 1049 . 1 1 85 85 ASP C C 13 175.8288 0.0000 . 1 . . . A 85 ASP C . 25137 1 1050 . 1 1 85 85 ASP CA C 13 53.4200 0.0000 . 1 . 82827 . A 85 ASP CA . 25137 1 1051 . 1 1 85 85 ASP CB C 13 41.5600 0.0000 . 1 . . . A 85 ASP CB . 25137 1 1052 . 1 1 85 85 ASP N N 15 123.4900 0.0000 . 1 . 11501 . A 85 ASP N . 25137 1 1053 . 1 1 86 86 LEU H H 1 8.2100 0.0000 . 1 . . . A 86 LEU H . 25137 1 1054 . 1 1 86 86 LEU HA H 1 3.9970 0.0000 . 1 . . . A 86 LEU HA . 25137 1 1055 . 1 1 86 86 LEU HB2 H 1 1.6130 0.0000 . 2 . . . A 86 LEU HB2 . 25137 1 1056 . 1 1 86 86 LEU HB3 H 1 1.6130 0.0000 . 2 . . . A 86 LEU HB3 . 25137 1 1057 . 1 1 86 86 LEU HG H 1 1.6060 0.0000 . 1 . 72582 . A 86 LEU HG . 25137 1 1058 . 1 1 86 86 LEU HD11 H 1 0.8190 0.0000 . 2 . . . A 86 LEU HD11 . 25137 1 1059 . 1 1 86 86 LEU HD12 H 1 0.8190 0.0000 . 2 . . . A 86 LEU HD12 . 25137 1 1060 . 1 1 86 86 LEU HD13 H 1 0.8190 0.0000 . 2 . . . A 86 LEU HD13 . 25137 1 1061 . 1 1 86 86 LEU HD21 H 1 0.9190 0.0000 . 2 . . . A 86 LEU HD21 . 25137 1 1062 . 1 1 86 86 LEU HD22 H 1 0.9190 0.0000 . 2 . . . A 86 LEU HD22 . 25137 1 1063 . 1 1 86 86 LEU HD23 H 1 0.9190 0.0000 . 2 . . . A 86 LEU HD23 . 25137 1 1064 . 1 1 86 86 LEU C C 13 178.2419 0.0000 . 1 . . . A 86 LEU C . 25137 1 1065 . 1 1 86 86 LEU CA C 13 57.4100 0.0000 . 1 . . . A 86 LEU CA . 25137 1 1066 . 1 1 86 86 LEU CB C 13 42.0000 0.0000 . 1 . . . A 86 LEU CB . 25137 1 1067 . 1 1 86 86 LEU CG C 13 27.9000 0.0000 . 1 . . . A 86 LEU CG . 25137 1 1068 . 1 1 86 86 LEU CD1 C 13 25.2430 0.0000 . 2 . . . A 86 LEU CD1 . 25137 1 1069 . 1 1 86 86 LEU CD2 C 13 24.2840 0.0000 . 2 . . . A 86 LEU CD2 . 25137 1 1070 . 1 1 86 86 LEU N N 15 122.0100 0.0000 . 1 . . . A 86 LEU N . 25137 1 1071 . 1 1 87 87 ASP H H 1 8.2900 0.0000 . 1 . . . A 87 ASP H . 25137 1 1072 . 1 1 87 87 ASP HA H 1 4.5350 0.0000 . 1 . . . A 87 ASP HA . 25137 1 1073 . 1 1 87 87 ASP HB2 H 1 2.6600 0.0000 . 2 . . . A 87 ASP HB2 . 25137 1 1074 . 1 1 87 87 ASP HB3 H 1 2.6662 0.0000 . 2 . . . A 87 ASP HB3 . 25137 1 1075 . 1 1 87 87 ASP C C 13 178.3508 0.0000 . 1 . . . A 87 ASP C . 25137 1 1076 . 1 1 87 87 ASP CA C 13 56.0100 0.0000 . 1 . . . A 87 ASP CA . 25137 1 1077 . 1 1 87 87 ASP CB C 13 41.4000 0.0000 . 1 . . . A 87 ASP CB . 25137 1 1078 . 1 1 87 87 ASP N N 15 117.2600 0.0000 . 1 . . . A 87 ASP N . 25137 1 1079 . 1 1 88 88 ARG H H 1 8.0400 0.0000 . 1 . . . A 88 ARG H . 25137 1 1080 . 1 1 88 88 ARG HA H 1 4.0150 0.0000 . 1 . . . A 88 ARG HA . 25137 1 1081 . 1 1 88 88 ARG HB2 H 1 1.7454 0.0000 . 2 . 78774 . A 88 ARG HB2 . 25137 1 1082 . 1 1 88 88 ARG HB3 H 1 1.4639 0.0000 . 2 . 78768 . A 88 ARG HB3 . 25137 1 1083 . 1 1 88 88 ARG HG2 H 1 1.1500 0.0000 . 2 . . . A 88 ARG HG2 . 25137 1 1084 . 1 1 88 88 ARG HG3 H 1 1.4000 0.0000 . 2 . . . A 88 ARG HG3 . 25137 1 1085 . 1 1 88 88 ARG HD2 H 1 3.0700 0.0000 . 2 . . . A 88 ARG HD2 . 25137 1 1086 . 1 1 88 88 ARG HD3 H 1 3.0700 0.0000 . 2 . . . A 88 ARG HD3 . 25137 1 1087 . 1 1 88 88 ARG C C 13 177.3000 0.0000 . 1 . . . A 88 ARG C . 25137 1 1088 . 1 1 88 88 ARG CA C 13 58.3400 0.0000 . 1 . . . A 88 ARG CA . 25137 1 1089 . 1 1 88 88 ARG CB C 13 30.4600 0.0000 . 1 . . . A 88 ARG CB . 25137 1 1090 . 1 1 88 88 ARG CG C 13 27.0000 0.0000 . 1 . . . A 88 ARG CG . 25137 1 1091 . 1 1 88 88 ARG CD C 13 43.3690 0.0000 . 1 . . . A 88 ARG CD . 25137 1 1092 . 1 1 88 88 ARG N N 15 120.7500 0.0000 . 1 . . . A 88 ARG N . 25137 1 1093 . 1 1 89 89 HIS H H 1 7.9000 0.0000 . 1 . . . A 89 HIS H . 25137 1 1094 . 1 1 89 89 HIS HA H 1 5.0261 0.0000 . 1 . . . A 89 HIS HA . 25137 1 1095 . 1 1 89 89 HIS HB2 H 1 2.8030 0.0000 . 2 . . . A 89 HIS HB2 . 25137 1 1096 . 1 1 89 89 HIS HB3 H 1 3.3530 0.0000 . 2 . . . A 89 HIS HB3 . 25137 1 1097 . 1 1 89 89 HIS HD2 H 1 7.1606 0.0000 . 1 . . . A 89 HIS HD2 . 25137 1 1098 . 1 1 89 89 HIS HE1 H 1 7.9320 0.0000 . 1 . . . A 89 HIS HE1 . 25137 1 1099 . 1 1 89 89 HIS C C 13 175.6700 0.0000 . 1 . . . A 89 HIS C . 25137 1 1100 . 1 1 89 89 HIS CA C 13 55.3000 0.0000 . 1 . . . A 89 HIS CA . 25137 1 1101 . 1 1 89 89 HIS CB C 13 29.8900 0.0000 . 1 . . . A 89 HIS CB . 25137 1 1102 . 1 1 89 89 HIS CD2 C 13 120.9654 0.0000 . 1 . . . A 89 HIS CD2 . 25137 1 1103 . 1 1 89 89 HIS CE1 C 13 137.6490 0.0000 . 1 . . . A 89 HIS CE1 . 25137 1 1104 . 1 1 89 89 HIS N N 15 115.5800 0.0000 . 1 . . . A 89 HIS N . 25137 1 1105 . 1 1 90 90 GLY H H 1 7.7900 0.0000 . 1 . . . A 90 GLY H . 25137 1 1106 . 1 1 90 90 GLY HA2 H 1 3.7250 0.0000 . 2 . . . A 90 GLY HA2 . 25137 1 1107 . 1 1 90 90 GLY HA3 H 1 4.0680 0.0000 . 2 . . . A 90 GLY HA3 . 25137 1 1108 . 1 1 90 90 GLY C C 13 175.8800 0.0000 . 1 . . . A 90 GLY C . 25137 1 1109 . 1 1 90 90 GLY CA C 13 48.3100 0.0000 . 1 . . . A 90 GLY CA . 25137 1 1110 . 1 1 90 90 GLY N N 15 108.3200 0.0000 . 1 . . . A 90 GLY N . 25137 1 1111 . 1 1 91 91 GLU H H 1 8.5800 0.0000 . 1 . . . A 91 GLU H . 25137 1 1112 . 1 1 91 91 GLU HA H 1 4.0430 0.0000 . 1 . . . A 91 GLU HA . 25137 1 1113 . 1 1 91 91 GLU HB2 H 1 2.0015 0.0000 . 2 . . . A 91 GLU HB2 . 25137 1 1114 . 1 1 91 91 GLU HB3 H 1 2.0015 0.0000 . 2 . . . A 91 GLU HB3 . 25137 1 1115 . 1 1 91 91 GLU HG2 H 1 2.3030 0.0000 . 2 . . . A 91 GLU HG2 . 25137 1 1116 . 1 1 91 91 GLU HG3 H 1 2.2220 0.0000 . 2 . . . A 91 GLU HG3 . 25137 1 1117 . 1 1 91 91 GLU C C 13 178.4100 0.0000 . 1 . . . A 91 GLU C . 25137 1 1118 . 1 1 91 91 GLU CA C 13 59.2000 0.0000 . 1 . . . A 91 GLU CA . 25137 1 1119 . 1 1 91 91 GLU CB C 13 29.2400 0.0000 . 1 . . . A 91 GLU CB . 25137 1 1120 . 1 1 91 91 GLU CG C 13 36.3320 0.0000 . 1 . . . A 91 GLU CG . 25137 1 1121 . 1 1 91 91 GLU N N 15 120.4900 0.0000 . 1 . . . A 91 GLU N . 25137 1 1122 . 1 1 92 92 LEU H H 1 7.6900 0.0000 . 1 . . . A 92 LEU H . 25137 1 1123 . 1 1 92 92 LEU HA H 1 4.0482 0.0000 . 1 . 79359 . A 92 LEU HA . 25137 1 1124 . 1 1 92 92 LEU HB2 H 1 1.7251 0.0000 . 2 . 78633 . A 92 LEU HB2 . 25137 1 1125 . 1 1 92 92 LEU HB3 H 1 1.4667 0.0000 . 2 . 78633 . A 92 LEU HB3 . 25137 1 1126 . 1 1 92 92 LEU HG H 1 1.3400 0.0000 . 1 . . . A 92 LEU HG . 25137 1 1127 . 1 1 92 92 LEU HD11 H 1 0.6470 0.0000 . 2 . . . A 92 LEU HD11 . 25137 1 1128 . 1 1 92 92 LEU HD12 H 1 0.6470 0.0000 . 2 . . . A 92 LEU HD12 . 25137 1 1129 . 1 1 92 92 LEU HD13 H 1 0.6470 0.0000 . 2 . . . A 92 LEU HD13 . 25137 1 1130 . 1 1 92 92 LEU HD21 H 1 0.3540 0.0000 . 2 . . . A 92 LEU HD21 . 25137 1 1131 . 1 1 92 92 LEU HD22 H 1 0.3540 0.0000 . 2 . . . A 92 LEU HD22 . 25137 1 1132 . 1 1 92 92 LEU HD23 H 1 0.3540 0.0000 . 2 . . . A 92 LEU HD23 . 25137 1 1133 . 1 1 92 92 LEU C C 13 178.6300 0.0000 . 1 . . . A 92 LEU C . 25137 1 1134 . 1 1 92 92 LEU CA C 13 57.6900 0.0000 . 1 . . . A 92 LEU CA . 25137 1 1135 . 1 1 92 92 LEU CB C 13 41.8200 0.0000 . 1 . . . A 92 LEU CB . 25137 1 1136 . 1 1 92 92 LEU CG C 13 26.7700 0.0000 . 1 . . . A 92 LEU CG . 25137 1 1137 . 1 1 92 92 LEU CD1 C 13 23.5840 0.0000 . 2 . . . A 92 LEU CD1 . 25137 1 1138 . 1 1 92 92 LEU CD2 C 13 25.2840 0.0000 . 2 . . . A 92 LEU CD2 . 25137 1 1139 . 1 1 92 92 LEU N N 15 121.7400 0.0000 . 1 . . . A 92 LEU N . 25137 1 1140 . 1 1 93 93 LEU H H 1 8.1600 0.0000 . 1 . . . A 93 LEU H . 25137 1 1141 . 1 1 93 93 LEU HA H 1 3.8810 0.0000 . 1 . 79335 . A 93 LEU HA . 25137 1 1142 . 1 1 93 93 LEU HB2 H 1 1.5738 0.0000 . 2 . . . A 93 LEU HB2 . 25137 1 1143 . 1 1 93 93 LEU HB3 H 1 1.8406 0.0000 . 2 . . . A 93 LEU HB3 . 25137 1 1144 . 1 1 93 93 LEU HG H 1 1.8500 0.0000 . 1 . 76719 . A 93 LEU HG . 25137 1 1145 . 1 1 93 93 LEU HD11 H 1 0.9270 0.0000 . 2 . . . A 93 LEU HD11 . 25137 1 1146 . 1 1 93 93 LEU HD12 H 1 0.9270 0.0000 . 2 . . . A 93 LEU HD12 . 25137 1 1147 . 1 1 93 93 LEU HD13 H 1 0.9270 0.0000 . 2 . . . A 93 LEU HD13 . 25137 1 1148 . 1 1 93 93 LEU HD21 H 1 0.8320 0.0000 . 2 . . . A 93 LEU HD21 . 25137 1 1149 . 1 1 93 93 LEU HD22 H 1 0.8320 0.0000 . 2 . . . A 93 LEU HD22 . 25137 1 1150 . 1 1 93 93 LEU HD23 H 1 0.8320 0.0000 . 2 . . . A 93 LEU HD23 . 25137 1 1151 . 1 1 93 93 LEU C C 13 174.9672 0.0000 . 1 . . . A 93 LEU C . 25137 1 1152 . 1 1 93 93 LEU CA C 13 57.9400 0.0000 . 1 . . . A 93 LEU CA . 25137 1 1153 . 1 1 93 93 LEU CB C 13 40.6400 0.0000 . 1 . . . A 93 LEU CB . 25137 1 1154 . 1 1 93 93 LEU CG C 13 27.7100 0.0000 . 1 . . . A 93 LEU CG . 25137 1 1155 . 1 1 93 93 LEU CD1 C 13 25.4050 0.0000 . 2 . . . A 93 LEU CD1 . 25137 1 1156 . 1 1 93 93 LEU CD2 C 13 24.2600 0.0000 . 2 . . . A 93 LEU CD2 . 25137 1 1157 . 1 1 93 93 LEU N N 15 117.3100 0.0000 . 1 . . . A 93 LEU N . 25137 1 1158 . 1 1 94 94 ARG H H 1 7.7700 0.0000 . 1 . . . A 94 ARG H . 25137 1 1159 . 1 1 94 94 ARG HA H 1 4.1200 0.0000 . 1 . . . A 94 ARG HA . 25137 1 1160 . 1 1 94 94 ARG HB2 H 1 1.8720 0.0000 . 2 . . . A 94 ARG HB2 . 25137 1 1161 . 1 1 94 94 ARG HB3 H 1 1.8720 0.0000 . 2 . . . A 94 ARG HB3 . 25137 1 1162 . 1 1 94 94 ARG HG2 H 1 1.7653 0.0000 . 2 . 78816 . A 94 ARG HG2 . 25137 1 1163 . 1 1 94 94 ARG HG3 H 1 1.6052 0.0000 . 2 . 78816 . A 94 ARG HG3 . 25137 1 1164 . 1 1 94 94 ARG HD2 H 1 3.1700 0.0000 . 2 . 79683 . A 94 ARG HD2 . 25137 1 1165 . 1 1 94 94 ARG HD3 H 1 3.2100 0.0000 . 2 . 79683 . A 94 ARG HD3 . 25137 1 1166 . 1 1 94 94 ARG C C 13 177.8700 0.0000 . 1 . . . A 94 ARG C . 25137 1 1167 . 1 1 94 94 ARG CA C 13 58.4500 0.0000 . 1 . . . A 94 ARG CA . 25137 1 1168 . 1 1 94 94 ARG CB C 13 30.3700 0.0000 . 1 . . . A 94 ARG CB . 25137 1 1169 . 1 1 94 94 ARG CG C 13 27.7510 0.0000 . 1 . . . A 94 ARG CG . 25137 1 1170 . 1 1 94 94 ARG CD C 13 43.3900 0.0000 . 1 . . . A 94 ARG CD . 25137 1 1171 . 1 1 94 94 ARG N N 15 117.9400 0.0000 . 1 . . . A 94 ARG N . 25137 1 1172 . 1 1 95 95 LYS H H 1 7.6400 0.0000 . 1 . . . A 95 LYS H . 25137 1 1173 . 1 1 95 95 LYS HA H 1 4.1598 0.0000 . 1 . 79377 . A 95 LYS HA . 25137 1 1174 . 1 1 95 95 LYS HB2 H 1 1.9390 0.0000 . 2 . 78726 . A 95 LYS HB2 . 25137 1 1175 . 1 1 95 95 LYS HB3 H 1 1.9390 0.0000 . 2 . 78726 . A 95 LYS HB3 . 25137 1 1176 . 1 1 95 95 LYS HG2 H 1 1.5176 0.0000 . 2 . 75504 . A 95 LYS HG2 . 25137 1 1177 . 1 1 95 95 LYS HG3 H 1 1.4140 0.0000 . 2 . 75504 . A 95 LYS HG3 . 25137 1 1178 . 1 1 95 95 LYS HD2 H 1 1.6490 0.0000 . 2 . 75093 . A 95 LYS HD2 . 25137 1 1179 . 1 1 95 95 LYS HD3 H 1 1.6490 0.0000 . 2 . 75093 . A 95 LYS HD3 . 25137 1 1180 . 1 1 95 95 LYS HE2 H 1 2.9540 0.0000 . 2 . 75480 . A 95 LYS HE2 . 25137 1 1181 . 1 1 95 95 LYS HE3 H 1 2.9540 0.0000 . 2 . 75480 . A 95 LYS HE3 . 25137 1 1182 . 1 1 95 95 LYS C C 13 177.7300 0.0000 . 1 . . . A 95 LYS C . 25137 1 1183 . 1 1 95 95 LYS CA C 13 57.6000 0.0000 . 1 . . . A 95 LYS CA . 25137 1 1184 . 1 1 95 95 LYS CB C 13 32.7700 0.0000 . 1 . . . A 95 LYS CB . 25137 1 1185 . 1 1 95 95 LYS CG C 13 25.0000 0.0000 . 1 . . . A 95 LYS CG . 25137 1 1186 . 1 1 95 95 LYS CD C 13 28.7000 0.0000 . 1 . . . A 95 LYS CD . 25137 1 1187 . 1 1 95 95 LYS CE C 13 41.9000 0.0000 . 1 . . . A 95 LYS CE . 25137 1 1188 . 1 1 95 95 LYS N N 15 118.3800 0.0000 . 1 . . . A 95 LYS N . 25137 1 1189 . 1 1 96 96 ILE H H 1 7.9800 0.0000 . 1 . . . A 96 ILE H . 25137 1 1190 . 1 1 96 96 ILE HA H 1 3.7813 0.0000 . 1 . . . A 96 ILE HA . 25137 1 1191 . 1 1 96 96 ILE HB H 1 1.7700 0.0000 . 1 . . . A 96 ILE HB . 25137 1 1192 . 1 1 96 96 ILE HG12 H 1 1.7900 0.0000 . 2 . . . A 96 ILE HG12 . 25137 1 1193 . 1 1 96 96 ILE HG13 H 1 1.0122 0.0000 . 2 . . . A 96 ILE HG13 . 25137 1 1194 . 1 1 96 96 ILE HG21 H 1 1.0732 0.0000 . 1 . . . A 96 ILE HG21 . 25137 1 1195 . 1 1 96 96 ILE HG22 H 1 1.0732 0.0000 . 1 . . . A 96 ILE HG22 . 25137 1 1196 . 1 1 96 96 ILE HG23 H 1 1.0732 0.0000 . 1 . . . A 96 ILE HG23 . 25137 1 1197 . 1 1 96 96 ILE HD11 H 1 0.6741 0.0000 . 1 . . . A 96 ILE HD11 . 25137 1 1198 . 1 1 96 96 ILE HD12 H 1 0.6741 0.0000 . 1 . . . A 96 ILE HD12 . 25137 1 1199 . 1 1 96 96 ILE HD13 H 1 0.6741 0.0000 . 1 . . . A 96 ILE HD13 . 25137 1 1200 . 1 1 96 96 ILE C C 13 175.8400 0.0000 . 1 . . . A 96 ILE C . 25137 1 1201 . 1 1 96 96 ILE CA C 13 63.7200 0.0000 . 1 . . . A 96 ILE CA . 25137 1 1202 . 1 1 96 96 ILE CB C 13 38.6700 0.0000 . 1 . . . A 96 ILE CB . 25137 1 1203 . 1 1 96 96 ILE CG1 C 13 28.2049 0.0000 . 1 . . . A 96 ILE CG1 . 25137 1 1204 . 1 1 96 96 ILE CG2 C 13 19.0752 0.0000 . 1 . . . A 96 ILE CG2 . 25137 1 1205 . 1 1 96 96 ILE CD1 C 13 14.0846 0.0000 . 1 . . . A 96 ILE CD1 . 25137 1 1206 . 1 1 96 96 ILE N N 15 120.1600 0.0000 . 1 . . . A 96 ILE N . 25137 1 1207 . 1 1 97 97 ASP H H 1 8.1600 0.0000 . 1 . . . A 97 ASP H . 25137 1 1208 . 1 1 97 97 ASP HA H 1 4.3800 0.0000 . 1 . . . A 97 ASP HA . 25137 1 1209 . 1 1 97 97 ASP HB2 H 1 2.9220 0.0000 . 2 . 79806 . A 97 ASP HB2 . 25137 1 1210 . 1 1 97 97 ASP HB3 H 1 2.3289 0.0000 . 2 . . . A 97 ASP HB3 . 25137 1 1211 . 1 1 97 97 ASP C C 13 173.5800 0.0000 . 1 . . . A 97 ASP C . 25137 1 1212 . 1 1 97 97 ASP CA C 13 54.3000 0.0000 . 1 . . . A 97 ASP CA . 25137 1 1213 . 1 1 97 97 ASP CB C 13 39.4900 0.0000 . 1 . . . A 97 ASP CB . 25137 1 1214 . 1 1 97 97 ASP N N 15 120.5100 0.0000 . 1 . . . A 97 ASP N . 25137 1 1215 . 1 1 98 98 ALA H H 1 7.6800 0.0000 . 1 . . . A 98 ALA H . 25137 1 1216 . 1 1 98 98 ALA HA H 1 4.5500 0.0000 . 1 . 79542 . A 98 ALA HA . 25137 1 1217 . 1 1 98 98 ALA HB1 H 1 0.8303 0.0000 . 1 . 78924 . A 98 ALA HB1 . 25137 1 1218 . 1 1 98 98 ALA HB2 H 1 0.8303 0.0000 . 1 . 78924 . A 98 ALA HB2 . 25137 1 1219 . 1 1 98 98 ALA HB3 H 1 0.8303 0.0000 . 1 . 78924 . A 98 ALA HB3 . 25137 1 1220 . 1 1 98 98 ALA CA C 13 49.8600 0.0000 . 1 . . . A 98 ALA CA . 25137 1 1221 . 1 1 98 98 ALA CB C 13 21.0700 0.0000 . 1 . . . A 98 ALA CB . 25137 1 1222 . 1 1 98 98 ALA N N 15 123.8000 0.0000 . 1 . . . A 98 ALA N . 25137 1 1223 . 1 1 99 99 PRO HA H 1 4.3695 0.0000 . 1 . 79233 . A 99 PRO HA . 25137 1 1224 . 1 1 99 99 PRO HB2 H 1 2.3150 0.0000 . 2 . 78717 . A 99 PRO HB2 . 25137 1 1225 . 1 1 99 99 PRO HB3 H 1 1.6900 0.0000 . 2 . 78717 . A 99 PRO HB3 . 25137 1 1226 . 1 1 99 99 PRO HG2 H 1 2.0500 0.0000 . 2 . . . A 99 PRO HG2 . 25137 1 1227 . 1 1 99 99 PRO HG3 H 1 1.9900 0.0000 . 2 . . . A 99 PRO HG3 . 25137 1 1228 . 1 1 99 99 PRO HD2 H 1 3.6500 0.0000 . 2 . . . A 99 PRO HD2 . 25137 1 1229 . 1 1 99 99 PRO HD3 H 1 3.7100 0.0000 . 2 . . . A 99 PRO HD3 . 25137 1 1230 . 1 1 99 99 PRO C C 13 174.7600 0.0000 . 1 . . . A 99 PRO C . 25137 1 1231 . 1 1 99 99 PRO CA C 13 62.9500 0.0000 . 1 . . . A 99 PRO CA . 25137 1 1232 . 1 1 99 99 PRO CB C 13 32.3100 0.0000 . 1 . 13378 . A 99 PRO CB . 25137 1 1233 . 1 1 99 99 PRO CG C 13 28.0000 0.0000 . 1 . . . A 99 PRO CG . 25137 1 1234 . 1 1 99 99 PRO CD C 13 50.4600 0.0000 . 1 . . . A 99 PRO CD . 25137 1 1235 . 1 1 100 100 VAL H H 1 8.2700 0.0000 . 1 . . . A 100 VAL H . 25137 1 1236 . 1 1 100 100 VAL HA H 1 4.8324 0.0000 . 1 . . . A 100 VAL HA . 25137 1 1237 . 1 1 100 100 VAL HB H 1 1.9450 0.0000 . 1 . 79878 . A 100 VAL HB . 25137 1 1238 . 1 1 100 100 VAL HG11 H 1 0.8020 0.0000 . 2 . . . A 100 VAL HG11 . 25137 1 1239 . 1 1 100 100 VAL HG12 H 1 0.8020 0.0000 . 2 . . . A 100 VAL HG12 . 25137 1 1240 . 1 1 100 100 VAL HG13 H 1 0.8020 0.0000 . 2 . . . A 100 VAL HG13 . 25137 1 1241 . 1 1 100 100 VAL HG21 H 1 1.0190 0.0000 . 2 . . . A 100 VAL HG21 . 25137 1 1242 . 1 1 100 100 VAL HG22 H 1 1.0190 0.0000 . 2 . . . A 100 VAL HG22 . 25137 1 1243 . 1 1 100 100 VAL HG23 H 1 1.0190 0.0000 . 2 . . . A 100 VAL HG23 . 25137 1 1244 . 1 1 100 100 VAL C C 13 176.6500 0.0000 . 1 . . . A 100 VAL C . 25137 1 1245 . 1 1 100 100 VAL CA C 13 60.4500 0.0000 . 1 . . . A 100 VAL CA . 25137 1 1246 . 1 1 100 100 VAL CB C 13 34.8300 0.0000 . 1 . . . A 100 VAL CB . 25137 1 1247 . 1 1 100 100 VAL CG1 C 13 21.0750 0.0000 . 2 . . . A 100 VAL CG1 . 25137 1 1248 . 1 1 100 100 VAL CG2 C 13 22.0620 0.0000 . 2 . . . A 100 VAL CG2 . 25137 1 1249 . 1 1 100 100 VAL N N 15 120.4900 0.0000 . 1 . . . A 100 VAL N . 25137 1 1250 . 1 1 101 101 MET H H 1 9.2400 0.0000 . 1 . . . A 101 MET H . 25137 1 1251 . 1 1 101 101 MET HA H 1 4.7052 0.0000 . 1 . . . A 101 MET HA . 25137 1 1252 . 1 1 101 101 MET HB2 H 1 1.9672 0.0000 . 2 . 78732 . A 101 MET HB2 . 25137 1 1253 . 1 1 101 101 MET HB3 H 1 1.7407 0.0000 . 2 . 78732 . A 101 MET HB3 . 25137 1 1254 . 1 1 101 101 MET HG2 H 1 2.4394 0.0000 . 2 . 78714 . A 101 MET HG2 . 25137 1 1255 . 1 1 101 101 MET HG3 H 1 2.3598 0.0000 . 2 . . . A 101 MET HG3 . 25137 1 1256 . 1 1 101 101 MET HE1 H 1 1.8913 0.0000 . 1 . . . A 101 MET HE1 . 25137 1 1257 . 1 1 101 101 MET HE2 H 1 1.8913 0.0000 . 1 . . . A 101 MET HE2 . 25137 1 1258 . 1 1 101 101 MET HE3 H 1 1.8913 0.0000 . 1 . . . A 101 MET HE3 . 25137 1 1259 . 1 1 101 101 MET C C 13 174.4900 0.0000 . 1 . . . A 101 MET C . 25137 1 1260 . 1 1 101 101 MET CA C 13 54.7300 0.0000 . 1 . . . A 101 MET CA . 25137 1 1261 . 1 1 101 101 MET CB C 13 34.5600 0.0000 . 1 . . . A 101 MET CB . 25137 1 1262 . 1 1 101 101 MET CG C 13 32.7902 0.0000 . 1 . . . A 101 MET CG . 25137 1 1263 . 1 1 101 101 MET CE C 13 17.4940 0.0000 . 1 . . . A 101 MET CE . 25137 1 1264 . 1 1 101 101 MET N N 15 127.4200 0.0000 . 1 . . . A 101 MET N . 25137 1 1265 . 1 1 102 102 ALA H H 1 8.7600 0.0000 . 1 . . . A 102 ALA H . 25137 1 1266 . 1 1 102 102 ALA HA H 1 4.6081 0.0000 . 1 . . . A 102 ALA HA . 25137 1 1267 . 1 1 102 102 ALA HB1 H 1 1.4004 0.0000 . 1 . . . A 102 ALA HB1 . 25137 1 1268 . 1 1 102 102 ALA HB2 H 1 1.4004 0.0000 . 1 . . . A 102 ALA HB2 . 25137 1 1269 . 1 1 102 102 ALA HB3 H 1 1.4004 0.0000 . 1 . . . A 102 ALA HB3 . 25137 1 1270 . 1 1 102 102 ALA C C 13 177.9346 0.0000 . 1 . . . A 102 ALA C . 25137 1 1271 . 1 1 102 102 ALA CA C 13 51.9300 0.0000 . 1 . . . A 102 ALA CA . 25137 1 1272 . 1 1 102 102 ALA CB C 13 19.0400 0.0000 . 1 . . . A 102 ALA CB . 25137 1 1273 . 1 1 102 102 ALA N N 15 128.5900 0.0000 . 1 . . . A 102 ALA N . 25137 1 1274 . 1 1 103 103 LYS H H 1 7.3000 0.0000 . 1 . . . A 103 LYS H . 25137 1 1275 . 1 1 103 103 LYS HA H 1 4.2840 0.0000 . 1 . 78564 . A 103 LYS HA . 25137 1 1276 . 1 1 103 103 LYS HB2 H 1 1.0148 0.0000 . 2 . 72759 . A 103 LYS HB2 . 25137 1 1277 . 1 1 103 103 LYS HB3 H 1 1.6581 0.0000 . 2 . 72759 . A 103 LYS HB3 . 25137 1 1278 . 1 1 103 103 LYS HG2 H 1 0.3260 0.0000 . 2 . . . A 103 LYS HG2 . 25137 1 1279 . 1 1 103 103 LYS HG3 H 1 0.7600 0.0000 . 2 . . . A 103 LYS HG3 . 25137 1 1280 . 1 1 103 103 LYS HD2 H 1 1.4500 0.0000 . 2 . . . A 103 LYS HD2 . 25137 1 1281 . 1 1 103 103 LYS HD3 H 1 1.2700 0.0000 . 2 . . . A 103 LYS HD3 . 25137 1 1282 . 1 1 103 103 LYS HE2 H 1 2.1100 0.0000 . 2 . . . A 103 LYS HE2 . 25137 1 1283 . 1 1 103 103 LYS HE3 H 1 2.1500 0.0000 . 2 . . . A 103 LYS HE3 . 25137 1 1284 . 1 1 103 103 LYS CA C 13 54.3700 0.0000 . 1 . . . A 103 LYS CA . 25137 1 1285 . 1 1 103 103 LYS CB C 13 34.1900 0.0000 . 1 . . . A 103 LYS CB . 25137 1 1286 . 1 1 103 103 LYS CG C 13 25.5000 0.0000 . 1 . . . A 103 LYS CG . 25137 1 1287 . 1 1 103 103 LYS CD C 13 30.4800 0.0000 . 1 . . . A 103 LYS CD . 25137 1 1288 . 1 1 103 103 LYS CE C 13 41.2100 0.0000 . 1 . . . A 103 LYS CE . 25137 1 1289 . 1 1 103 103 LYS N N 15 120.2000 0.0000 . 1 . . . A 103 LYS N . 25137 1 1290 . 1 1 104 104 PRO HA H 1 4.6107 0.0000 . 1 . 79011 . A 104 PRO HA . 25137 1 1291 . 1 1 104 104 PRO HB2 H 1 2.2544 0.0000 . 2 . 78717 . A 104 PRO HB2 . 25137 1 1292 . 1 1 104 104 PRO HB3 H 1 2.0996 0.0000 . 2 . 78717 . A 104 PRO HB3 . 25137 1 1293 . 1 1 104 104 PRO HG2 H 1 1.9500 0.0000 . 2 . . . A 104 PRO HG2 . 25137 1 1294 . 1 1 104 104 PRO HG3 H 1 2.0000 0.0000 . 2 . . . A 104 PRO HG3 . 25137 1 1295 . 1 1 104 104 PRO HD2 H 1 3.4839 0.0000 . 2 . . . A 104 PRO HD2 . 25137 1 1296 . 1 1 104 104 PRO HD3 H 1 3.6400 0.0000 . 2 . . . A 104 PRO HD3 . 25137 1 1297 . 1 1 104 104 PRO C C 13 174.9800 0.0000 . 1 . . . A 104 PRO C . 25137 1 1298 . 1 1 104 104 PRO CA C 13 62.6261 0.0000 . 1 . 15860 . A 104 PRO CA . 25137 1 1299 . 1 1 104 104 PRO CB C 13 33.8675 0.0000 . 1 . 9712 . A 104 PRO CB . 25137 1 1300 . 1 1 104 104 PRO CG C 13 24.8000 0.0000 . 1 . . . A 104 PRO CG . 25137 1 1301 . 1 1 104 104 PRO CD C 13 50.1853 0.0000 . 1 . . . A 104 PRO CD . 25137 1 1302 . 1 1 105 105 ALA H H 1 8.6677 0.0000 . 1 . 9852 . A 105 ALA H . 25137 1 1303 . 1 1 105 105 ALA HA H 1 4.5756 0.0000 . 1 . . . A 105 ALA HA . 25137 1 1304 . 1 1 105 105 ALA HB1 H 1 1.3717 0.0000 . 1 . . . A 105 ALA HB1 . 25137 1 1305 . 1 1 105 105 ALA HB2 H 1 1.3717 0.0000 . 1 . . . A 105 ALA HB2 . 25137 1 1306 . 1 1 105 105 ALA HB3 H 1 1.3717 0.0000 . 1 . . . A 105 ALA HB3 . 25137 1 1307 . 1 1 105 105 ALA C C 13 176.8900 0.0000 . 1 . . . A 105 ALA C . 25137 1 1308 . 1 1 105 105 ALA CA C 13 51.1766 0.0000 . 1 . 80425 . A 105 ALA CA . 25137 1 1309 . 1 1 105 105 ALA CB C 13 21.7349 0.0000 . 1 . 80426 . A 105 ALA CB . 25137 1 1310 . 1 1 105 105 ALA N N 15 125.0820 0.0000 . 1 . 9854 . A 105 ALA N . 25137 1 1311 . 1 1 106 106 ASP H H 1 8.8673 0.0000 . 1 . 11328 . A 106 ASP H . 25137 1 1312 . 1 1 106 106 ASP HA H 1 4.6360 0.0000 . 1 . . . A 106 ASP HA . 25137 1 1313 . 1 1 106 106 ASP HB2 H 1 2.8105 0.0000 . 2 . . . A 106 ASP HB2 . 25137 1 1314 . 1 1 106 106 ASP HB3 H 1 2.6171 0.0000 . 2 . . . A 106 ASP HB3 . 25137 1 1315 . 1 1 106 106 ASP C C 13 178.3830 0.0000 . 1 . . . A 106 ASP C . 25137 1 1316 . 1 1 106 106 ASP CA C 13 54.3124 0.0000 . 1 . 34316 . A 106 ASP CA . 25137 1 1317 . 1 1 106 106 ASP CB C 13 41.2604 0.0000 . 1 . 34317 . A 106 ASP CB . 25137 1 1318 . 1 1 106 106 ASP N N 15 122.3060 0.0000 . 1 . 11330 . A 106 ASP N . 25137 1 1319 . 1 1 107 107 THR H H 1 8.6577 0.0000 . 1 . 11826 . A 107 THR H . 25137 1 1320 . 1 1 107 107 THR HA H 1 3.5732 0.0000 . 1 . . . A 107 THR HA . 25137 1 1321 . 1 1 107 107 THR HB H 1 4.0053 0.0000 . 1 . 71520 . A 107 THR HB . 25137 1 1322 . 1 1 107 107 THR HG21 H 1 1.2920 0.0000 . 1 . . . A 107 THR HG21 . 25137 1 1323 . 1 1 107 107 THR HG22 H 1 1.2920 0.0000 . 1 . . . A 107 THR HG22 . 25137 1 1324 . 1 1 107 107 THR HG23 H 1 1.2920 0.0000 . 1 . . . A 107 THR HG23 . 25137 1 1325 . 1 1 107 107 THR C C 13 176.3932 0.0000 . 1 . . . A 107 THR C . 25137 1 1326 . 1 1 107 107 THR CA C 13 65.9400 0.0000 . 1 . 80643 . A 107 THR CA . 25137 1 1327 . 1 1 107 107 THR CB C 13 68.1912 0.0000 . 1 . 80642 . A 107 THR CB . 25137 1 1328 . 1 1 107 107 THR CG2 C 13 23.6528 0.0000 . 1 . . . A 107 THR CG2 . 25137 1 1329 . 1 1 107 107 THR N N 15 119.5400 0.0000 . 1 . 11828 . A 107 THR N . 25137 1 1330 . 1 1 108 108 SER H H 1 8.4800 0.0000 . 1 . 11700 . A 108 SER H . 25137 1 1331 . 1 1 108 108 SER HA H 1 4.1400 0.0000 . 1 . . . A 108 SER HA . 25137 1 1332 . 1 1 108 108 SER HB2 H 1 3.8580 0.0000 . 2 . . . A 108 SER HB2 . 25137 1 1333 . 1 1 108 108 SER HB3 H 1 3.8580 0.0000 . 2 . . . A 108 SER HB3 . 25137 1 1334 . 1 1 108 108 SER C C 13 176.1434 0.0000 . 1 . . . A 108 SER C . 25137 1 1335 . 1 1 108 108 SER CA C 13 61.6500 0.0000 . 1 . 80647 . A 108 SER CA . 25137 1 1336 . 1 1 108 108 SER CB C 13 62.4500 0.0000 . 1 . 80646 . A 108 SER CB . 25137 1 1337 . 1 1 108 108 SER N N 15 117.0953 0.0000 . 1 . 11702 . A 108 SER N . 25137 1 1338 . 1 1 109 109 ASP H H 1 7.3500 0.0000 . 1 . 12099 . A 109 ASP H . 25137 1 1339 . 1 1 109 109 ASP HA H 1 4.4000 0.0000 . 1 . . . A 109 ASP HA . 25137 1 1340 . 1 1 109 109 ASP HB2 H 1 2.8190 0.0000 . 2 . . . A 109 ASP HB2 . 25137 1 1341 . 1 1 109 109 ASP HB3 H 1 2.6060 0.0000 . 2 . . . A 109 ASP HB3 . 25137 1 1342 . 1 1 109 109 ASP C C 13 178.4985 0.0000 . 1 . . . A 109 ASP C . 25137 1 1343 . 1 1 109 109 ASP CA C 13 56.9900 0.0000 . 1 . 80678 . A 109 ASP CA . 25137 1 1344 . 1 1 109 109 ASP CB C 13 40.5600 0.0000 . 1 . 80679 . A 109 ASP CB . 25137 1 1345 . 1 1 109 109 ASP N N 15 122.5200 0.0000 . 1 . 12101 . A 109 ASP N . 25137 1 1346 . 1 1 110 110 VAL H H 1 7.4400 0.0000 . 1 . 11517 . A 110 VAL H . 25137 1 1347 . 1 1 110 110 VAL HA H 1 3.2620 0.0000 . 1 . . . A 110 VAL HA . 25137 1 1348 . 1 1 110 110 VAL HB H 1 1.6895 0.0000 . 1 . 79950 . A 110 VAL HB . 25137 1 1349 . 1 1 110 110 VAL HG11 H 1 0.4960 0.0000 . 2 . . . A 110 VAL HG11 . 25137 1 1350 . 1 1 110 110 VAL HG12 H 1 0.4960 0.0000 . 2 . . . A 110 VAL HG12 . 25137 1 1351 . 1 1 110 110 VAL HG13 H 1 0.4960 0.0000 . 2 . . . A 110 VAL HG13 . 25137 1 1352 . 1 1 110 110 VAL HG21 H 1 0.5496 0.0000 . 2 . . . A 110 VAL HG21 . 25137 1 1353 . 1 1 110 110 VAL HG22 H 1 0.5496 0.0000 . 2 . . . A 110 VAL HG22 . 25137 1 1354 . 1 1 110 110 VAL HG23 H 1 0.5496 0.0000 . 2 . . . A 110 VAL HG23 . 25137 1 1355 . 1 1 110 110 VAL C C 13 176.5348 0.0000 . 1 . . . A 110 VAL C . 25137 1 1356 . 1 1 110 110 VAL CA C 13 66.0900 0.0000 . 1 . 34290 . A 110 VAL CA . 25137 1 1357 . 1 1 110 110 VAL CB C 13 31.4000 0.0000 . 1 . 10411 . A 110 VAL CB . 25137 1 1358 . 1 1 110 110 VAL CG1 C 13 21.4000 0.0000 . 2 . . . A 110 VAL CG1 . 25137 1 1359 . 1 1 110 110 VAL CG2 C 13 21.0700 0.0000 . 2 . . . A 110 VAL CG2 . 25137 1 1360 . 1 1 110 110 VAL N N 15 120.2100 0.0000 . 1 . 11519 . A 110 VAL N . 25137 1 1361 . 1 1 111 111 ALA H H 1 7.6100 0.0000 . 1 . . . A 111 ALA H . 25137 1 1362 . 1 1 111 111 ALA HA H 1 3.2643 0.0000 . 1 . . . A 111 ALA HA . 25137 1 1363 . 1 1 111 111 ALA HB1 H 1 0.3580 0.0000 . 1 . . . A 111 ALA HB1 . 25137 1 1364 . 1 1 111 111 ALA HB2 H 1 0.3580 0.0000 . 1 . . . A 111 ALA HB2 . 25137 1 1365 . 1 1 111 111 ALA HB3 H 1 0.3580 0.0000 . 1 . . . A 111 ALA HB3 . 25137 1 1366 . 1 1 111 111 ALA C C 13 179.0300 0.0000 . 1 . . . A 111 ALA C . 25137 1 1367 . 1 1 111 111 ALA CA C 13 54.5900 0.0000 . 1 . 18027 . A 111 ALA CA . 25137 1 1368 . 1 1 111 111 ALA CB C 13 16.4800 0.0000 . 1 . . . A 111 ALA CB . 25137 1 1369 . 1 1 111 111 ALA N N 15 118.7900 0.0000 . 1 . . . A 111 ALA N . 25137 1 1370 . 1 1 112 112 LYS H H 1 7.8400 0.0000 . 1 . . . A 112 LYS H . 25137 1 1371 . 1 1 112 112 LYS HA H 1 3.7501 0.0000 . 1 . 78528 . A 112 LYS HA . 25137 1 1372 . 1 1 112 112 LYS HB2 H 1 1.7620 0.0000 . 2 . . . A 112 LYS HB2 . 25137 1 1373 . 1 1 112 112 LYS HB3 H 1 1.7620 0.0000 . 2 . . . A 112 LYS HB3 . 25137 1 1374 . 1 1 112 112 LYS HG2 H 1 1.2800 0.0000 . 2 . 76746 . A 112 LYS HG2 . 25137 1 1375 . 1 1 112 112 LYS HG3 H 1 1.5100 0.0000 . 2 . 76746 . A 112 LYS HG3 . 25137 1 1376 . 1 1 112 112 LYS HD2 H 1 1.5830 0.0000 . 2 . . . A 112 LYS HD2 . 25137 1 1377 . 1 1 112 112 LYS HD3 H 1 1.5830 0.0000 . 2 . . . A 112 LYS HD3 . 25137 1 1378 . 1 1 112 112 LYS HE2 H 1 2.9200 0.0000 . 2 . . . A 112 LYS HE2 . 25137 1 1379 . 1 1 112 112 LYS HE3 H 1 2.9200 0.0000 . 2 . . . A 112 LYS HE3 . 25137 1 1380 . 1 1 112 112 LYS C C 13 179.4700 0.0000 . 1 . . . A 112 LYS C . 25137 1 1381 . 1 1 112 112 LYS CA C 13 60.0200 0.0000 . 1 . . . A 112 LYS CA . 25137 1 1382 . 1 1 112 112 LYS CB C 13 32.6800 0.0000 . 1 . . . A 112 LYS CB . 25137 1 1383 . 1 1 112 112 LYS CG C 13 25.8790 0.0000 . 1 . . . A 112 LYS CG . 25137 1 1384 . 1 1 112 112 LYS CD C 13 29.3240 0.0000 . 1 . . . A 112 LYS CD . 25137 1 1385 . 1 1 112 112 LYS CE C 13 42.0300 0.0000 . 1 . . . A 112 LYS CE . 25137 1 1386 . 1 1 112 112 LYS N N 15 115.5400 0.0000 . 1 . . . A 112 LYS N . 25137 1 1387 . 1 1 113 113 ARG H H 1 7.8600 0.0000 . 1 . . . A 113 ARG H . 25137 1 1388 . 1 1 113 113 ARG HA H 1 4.0210 0.0000 . 1 . 79338 . A 113 ARG HA . 25137 1 1389 . 1 1 113 113 ARG HB2 H 1 1.7950 0.0000 . 2 . . . A 113 ARG HB2 . 25137 1 1390 . 1 1 113 113 ARG HB3 H 1 1.8348 0.0000 . 2 . . . A 113 ARG HB3 . 25137 1 1391 . 1 1 113 113 ARG HG2 H 1 1.7460 0.0000 . 2 . . . A 113 ARG HG2 . 25137 1 1392 . 1 1 113 113 ARG HG3 H 1 1.5900 0.0000 . 2 . . . A 113 ARG HG3 . 25137 1 1393 . 1 1 113 113 ARG HD2 H 1 3.2500 0.0000 . 2 . . . A 113 ARG HD2 . 25137 1 1394 . 1 1 113 113 ARG HD3 H 1 3.1440 0.0000 . 2 . . . A 113 ARG HD3 . 25137 1 1395 . 1 1 113 113 ARG C C 13 179.1200 0.0000 . 1 . . . A 113 ARG C . 25137 1 1396 . 1 1 113 113 ARG CA C 13 58.1800 0.0000 . 1 . . . A 113 ARG CA . 25137 1 1397 . 1 1 113 113 ARG CB C 13 29.5300 0.0000 . 1 . . . A 113 ARG CB . 25137 1 1398 . 1 1 113 113 ARG CG C 13 26.9500 0.0000 . 1 . . . A 113 ARG CG . 25137 1 1399 . 1 1 113 113 ARG CD C 13 42.7200 0.0000 . 1 . . . A 113 ARG CD . 25137 1 1400 . 1 1 113 113 ARG N N 15 118.5900 0.0000 . 1 . . . A 113 ARG N . 25137 1 1401 . 1 1 114 114 ALA H H 1 8.1900 0.0000 . 1 . . . A 114 ALA H . 25137 1 1402 . 1 1 114 114 ALA HA H 1 4.0459 0.0000 . 1 . . . A 114 ALA HA . 25137 1 1403 . 1 1 114 114 ALA HB1 H 1 1.4900 0.0000 . 1 . . . A 114 ALA HB1 . 25137 1 1404 . 1 1 114 114 ALA HB2 H 1 1.4900 0.0000 . 1 . . . A 114 ALA HB2 . 25137 1 1405 . 1 1 114 114 ALA HB3 H 1 1.4900 0.0000 . 1 . . . A 114 ALA HB3 . 25137 1 1406 . 1 1 114 114 ALA C C 13 179.2800 0.0000 . 1 . . . A 114 ALA C . 25137 1 1407 . 1 1 114 114 ALA CA C 13 55.0700 0.0000 . 1 . . . A 114 ALA CA . 25137 1 1408 . 1 1 114 114 ALA CB C 13 17.9200 0.0000 . 1 . . . A 114 ALA CB . 25137 1 1409 . 1 1 114 114 ALA N N 15 120.5200 0.0000 . 1 . . . A 114 ALA N . 25137 1 1410 . 1 1 115 115 LEU H H 1 8.3200 0.0000 . 1 . . . A 115 LEU H . 25137 1 1411 . 1 1 115 115 LEU HA H 1 4.2250 0.0000 . 1 . 78555 . A 115 LEU HA . 25137 1 1412 . 1 1 115 115 LEU HB2 H 1 1.9280 0.0000 . 2 . . . A 115 LEU HB2 . 25137 1 1413 . 1 1 115 115 LEU HB3 H 1 1.4778 0.0000 . 2 . . . A 115 LEU HB3 . 25137 1 1414 . 1 1 115 115 LEU HG H 1 2.1000 0.0000 . 1 . . . A 115 LEU HG . 25137 1 1415 . 1 1 115 115 LEU HD11 H 1 0.9370 0.0000 . 2 . . . A 115 LEU HD11 . 25137 1 1416 . 1 1 115 115 LEU HD12 H 1 0.9370 0.0000 . 2 . . . A 115 LEU HD12 . 25137 1 1417 . 1 1 115 115 LEU HD13 H 1 0.9370 0.0000 . 2 . . . A 115 LEU HD13 . 25137 1 1418 . 1 1 115 115 LEU HD21 H 1 0.8150 0.0000 . 2 . . . A 115 LEU HD21 . 25137 1 1419 . 1 1 115 115 LEU HD22 H 1 0.8150 0.0000 . 2 . . . A 115 LEU HD22 . 25137 1 1420 . 1 1 115 115 LEU HD23 H 1 0.8150 0.0000 . 2 . . . A 115 LEU HD23 . 25137 1 1421 . 1 1 115 115 LEU C C 13 180.4900 0.0000 . 1 . . . A 115 LEU C . 25137 1 1422 . 1 1 115 115 LEU CA C 13 57.6000 0.0000 . 1 . 10531 . A 115 LEU CA . 25137 1 1423 . 1 1 115 115 LEU CB C 13 40.5900 0.0000 . 1 . 10633 . A 115 LEU CB . 25137 1 1424 . 1 1 115 115 LEU CG C 13 27.5300 0.0000 . 1 . . . A 115 LEU CG . 25137 1 1425 . 1 1 115 115 LEU CD1 C 13 26.3300 0.0000 . 2 . . . A 115 LEU CD1 . 25137 1 1426 . 1 1 115 115 LEU CD2 C 13 22.3410 0.0000 . 2 . . . A 115 LEU CD2 . 25137 1 1427 . 1 1 115 115 LEU N N 15 115.8200 0.0000 . 1 . . . A 115 LEU N . 25137 1 1428 . 1 1 116 116 GLU H H 1 7.9042 0.0000 . 1 . 11652 . A 116 GLU H . 25137 1 1429 . 1 1 116 116 GLU HA H 1 4.1090 0.0000 . 1 . . . A 116 GLU HA . 25137 1 1430 . 1 1 116 116 GLU HB2 H 1 2.0760 0.0000 . 2 . 80028 . A 116 GLU HB2 . 25137 1 1431 . 1 1 116 116 GLU HB3 H 1 2.2108 0.0000 . 2 . 80028 . A 116 GLU HB3 . 25137 1 1432 . 1 1 116 116 GLU HG2 H 1 2.3118 0.0000 . 2 . 74778 . A 116 GLU HG2 . 25137 1 1433 . 1 1 116 116 GLU HG3 H 1 2.4953 0.0000 . 2 . . . A 116 GLU HG3 . 25137 1 1434 . 1 1 116 116 GLU C C 13 178.7900 0.0000 . 1 . . . A 116 GLU C . 25137 1 1435 . 1 1 116 116 GLU CA C 13 58.6251 0.0000 . 1 . 33452 . A 116 GLU CA . 25137 1 1436 . 1 1 116 116 GLU CB C 13 29.5480 0.0000 . 1 . 11746 . A 116 GLU CB . 25137 1 1437 . 1 1 116 116 GLU CG C 13 36.5660 0.0000 . 1 . . . A 116 GLU CG . 25137 1 1438 . 1 1 116 116 GLU N N 15 119.7891 0.0000 . 1 . 11654 . A 116 GLU N . 25137 1 1439 . 1 1 117 117 MET H H 1 7.7120 0.0000 . 1 . 11718 . A 117 MET H . 25137 1 1440 . 1 1 117 117 MET HA H 1 4.2450 0.0000 . 1 . . . A 117 MET HA . 25137 1 1441 . 1 1 117 117 MET HB2 H 1 2.2240 0.0000 . 2 . 79896 . A 117 MET HB2 . 25137 1 1442 . 1 1 117 117 MET HB3 H 1 2.3160 0.0000 . 2 . 79896 . A 117 MET HB3 . 25137 1 1443 . 1 1 117 117 MET HG2 H 1 2.5100 0.0000 . 2 . . . A 117 MET HG2 . 25137 1 1444 . 1 1 117 117 MET HG3 H 1 2.9090 0.0000 . 2 . . . A 117 MET HG3 . 25137 1 1445 . 1 1 117 117 MET HE1 H 1 1.9726 0.0000 . 1 . . . A 117 MET HE1 . 25137 1 1446 . 1 1 117 117 MET HE2 H 1 1.9726 0.0000 . 1 . . . A 117 MET HE2 . 25137 1 1447 . 1 1 117 117 MET HE3 H 1 1.9726 0.0000 . 1 . . . A 117 MET HE3 . 25137 1 1448 . 1 1 117 117 MET C C 13 176.8900 0.0000 . 1 . . . A 117 MET C . 25137 1 1449 . 1 1 117 117 MET CA C 13 57.6377 0.0000 . 1 . 10744 . A 117 MET CA . 25137 1 1450 . 1 1 117 117 MET CB C 13 33.4665 0.0000 . 1 . 10912 . A 117 MET CB . 25137 1 1451 . 1 1 117 117 MET CG C 13 32.4080 0.0000 . 1 . . . A 117 MET CG . 25137 1 1452 . 1 1 117 117 MET CE C 13 17.5916 0.0000 . 1 . . . A 117 MET CE . 25137 1 1453 . 1 1 117 117 MET N N 15 116.4264 0.0000 . 1 . 11720 . A 117 MET N . 25137 1 1454 . 1 1 118 118 CYS H H 1 7.4281 0.0000 . 1 . 11808 . A 118 CYS H . 25137 1 1455 . 1 1 118 118 CYS HA H 1 4.6990 0.0000 . 1 . . . A 118 CYS HA . 25137 1 1456 . 1 1 118 118 CYS HB2 H 1 2.8300 0.0000 . 2 . . . A 118 CYS HB2 . 25137 1 1457 . 1 1 118 118 CYS HB3 H 1 3.1410 0.0000 . 2 . . . A 118 CYS HB3 . 25137 1 1458 . 1 1 118 118 CYS C C 13 174.7500 0.0000 . 1 . . . A 118 CYS C . 25137 1 1459 . 1 1 118 118 CYS CA C 13 58.5415 0.0000 . 1 . 17946 . A 118 CYS CA . 25137 1 1460 . 1 1 118 118 CYS CB C 13 28.5525 0.0000 . 1 . 10990 . A 118 CYS CB . 25137 1 1461 . 1 1 118 118 CYS N N 15 113.9925 0.0000 . 1 . 11810 . A 118 CYS N . 25137 1 1462 . 1 1 119 119 GLY H H 1 8.0558 0.0000 . 1 . 11877 . A 119 GLY H . 25137 1 1463 . 1 1 119 119 GLY HA2 H 1 4.0480 0.0000 . 2 . . . A 119 GLY HA2 . 25137 1 1464 . 1 1 119 119 GLY HA3 H 1 4.0480 0.0000 . 2 . . . A 119 GLY HA3 . 25137 1 1465 . 1 1 119 119 GLY C C 13 174.6600 0.0000 . 1 . . . A 119 GLY C . 25137 1 1466 . 1 1 119 119 GLY CA C 13 45.7086 0.0000 . 1 . 34292 . A 119 GLY CA . 25137 1 1467 . 1 1 119 119 GLY N N 15 109.8231 0.0000 . 1 . 11879 . A 119 GLY N . 25137 1 1468 . 1 1 120 120 GLY H H 1 8.3010 0.0000 . 1 . 11883 . A 120 GLY H . 25137 1 1469 . 1 1 120 120 GLY HA2 H 1 4.0151 0.0000 . 2 . . . A 120 GLY HA2 . 25137 1 1470 . 1 1 120 120 GLY HA3 H 1 3.9494 0.0000 . 2 . . . A 120 GLY HA3 . 25137 1 1471 . 1 1 120 120 GLY C C 13 173.7900 0.0000 . 1 . . . A 120 GLY C . 25137 1 1472 . 1 1 120 120 GLY CA C 13 45.3260 0.0000 . 1 . 11086 . A 120 GLY CA . 25137 1 1473 . 1 1 120 120 GLY N N 15 108.8207 0.0000 . 1 . 11885 . A 120 GLY N . 25137 1 1474 . 1 1 121 121 ASP H H 1 8.4384 0.0000 . 1 . 12186 . A 121 ASP H . 25137 1 1475 . 1 1 121 121 ASP HA H 1 4.5910 0.0000 . 1 . . . A 121 ASP HA . 25137 1 1476 . 1 1 121 121 ASP HB2 H 1 2.6570 0.0000 . 2 . 78654 . A 121 ASP HB2 . 25137 1 1477 . 1 1 121 121 ASP HB3 H 1 2.6300 0.0000 . 2 . . . A 121 ASP HB3 . 25137 1 1478 . 1 1 121 121 ASP C C 13 176.1600 0.0000 . 1 . . . A 121 ASP C . 25137 1 1479 . 1 1 121 121 ASP CA C 13 54.3130 0.0000 . 1 . 15728 . A 121 ASP CA . 25137 1 1480 . 1 1 121 121 ASP CB C 13 41.0790 0.0000 . 1 . . . A 121 ASP CB . 25137 1 1481 . 1 1 121 121 ASP N N 15 120.3830 0.0000 . 1 . 12188 . A 121 ASP N . 25137 1 1482 . 1 1 122 122 LYS H H 1 8.2578 0.0000 . 1 . 12189 . A 122 LYS H . 25137 1 1483 . 1 1 122 122 LYS HA H 1 4.3500 0.0000 . 1 . . . A 122 LYS HA . 25137 1 1484 . 1 1 122 122 LYS HB2 H 1 1.7500 0.0000 . 2 . . . A 122 LYS HB2 . 25137 1 1485 . 1 1 122 122 LYS HB3 H 1 1.8350 0.0000 . 2 . . . A 122 LYS HB3 . 25137 1 1486 . 1 1 122 122 LYS HG2 H 1 1.4270 0.0000 . 2 . 76719 . A 122 LYS HG2 . 25137 1 1487 . 1 1 122 122 LYS HG3 H 1 1.4320 0.0000 . 2 . . . A 122 LYS HG3 . 25137 1 1488 . 1 1 122 122 LYS HD2 H 1 1.6674 0.0000 . 2 . 78786 . A 122 LYS HD2 . 25137 1 1489 . 1 1 122 122 LYS HD3 H 1 1.6674 0.0000 . 2 . . . A 122 LYS HD3 . 25137 1 1490 . 1 1 122 122 LYS HE2 H 1 3.0030 0.0000 . 2 . 79737 . A 122 LYS HE2 . 25137 1 1491 . 1 1 122 122 LYS HE3 H 1 3.0170 0.0000 . 2 . . . A 122 LYS HE3 . 25137 1 1492 . 1 1 122 122 LYS C C 13 177.1839 0.0000 . 1 . . . A 122 LYS C . 25137 1 1493 . 1 1 122 122 LYS CA C 13 55.8900 0.0000 . 1 . . . A 122 LYS CA . 25137 1 1494 . 1 1 122 122 LYS CB C 13 33.1900 0.0000 . 1 . . . A 122 LYS CB . 25137 1 1495 . 1 1 122 122 LYS CG C 13 24.4680 0.0000 . 1 . . . A 122 LYS CG . 25137 1 1496 . 1 1 122 122 LYS CD C 13 29.0283 0.0000 . 1 . . . A 122 LYS CD . 25137 1 1497 . 1 1 122 122 LYS CE C 13 42.3680 0.0000 . 1 . . . A 122 LYS CE . 25137 1 1498 . 1 1 122 122 LYS N N 15 121.4500 0.0000 . 1 . 12191 . A 122 LYS N . 25137 1 1499 . 1 1 123 123 GLU H H 1 8.4200 0.0000 . 1 . . . A 123 GLU H . 25137 1 1500 . 1 1 123 123 GLU HA H 1 4.5500 0.0000 . 1 . . . A 123 GLU HA . 25137 1 1501 . 1 1 123 123 GLU HB2 H 1 2.0338 0.0000 . 2 . . . A 123 GLU HB2 . 25137 1 1502 . 1 1 123 123 GLU HB3 H 1 1.8973 0.0000 . 2 . . . A 123 GLU HB3 . 25137 1 1503 . 1 1 123 123 GLU HG2 H 1 2.3100 0.0000 . 2 . . . A 123 GLU HG2 . 25137 1 1504 . 1 1 123 123 GLU HG3 H 1 2.2300 0.0000 . 2 . . . A 123 GLU HG3 . 25137 1 1505 . 1 1 123 123 GLU CA C 13 54.4700 0.0000 . 1 . . . A 123 GLU CA . 25137 1 1506 . 1 1 123 123 GLU CB C 13 29.6400 0.0000 . 1 . . . A 123 GLU CB . 25137 1 1507 . 1 1 123 123 GLU CG C 13 36.2000 0.0000 . 1 . . . A 123 GLU CG . 25137 1 1508 . 1 1 123 123 GLU N N 15 123.5600 0.0000 . 1 . . . A 123 GLU N . 25137 1 1509 . 1 1 124 124 PRO HA H 1 4.3840 0.0000 . 1 . . . A 124 PRO HA . 25137 1 1510 . 1 1 124 124 PRO HB2 H 1 1.6900 0.0000 . 2 . . . A 124 PRO HB2 . 25137 1 1511 . 1 1 124 124 PRO HB3 H 1 2.3100 0.0000 . 2 . . . A 124 PRO HB3 . 25137 1 1512 . 1 1 124 124 PRO HG2 H 1 1.9870 0.0000 . 2 . . . A 124 PRO HG2 . 25137 1 1513 . 1 1 124 124 PRO HG3 H 1 2.0500 0.0000 . 2 . . . A 124 PRO HG3 . 25137 1 1514 . 1 1 124 124 PRO HD2 H 1 3.6880 0.0000 . 2 . . . A 124 PRO HD2 . 25137 1 1515 . 1 1 124 124 PRO HD3 H 1 3.8093 0.0000 . 2 . . . A 124 PRO HD3 . 25137 1 1516 . 1 1 124 124 PRO C C 13 175.7700 0.0000 . 1 . . . A 124 PRO C . 25137 1 1517 . 1 1 124 124 PRO CA C 13 63.3500 0.0000 . 1 . . . A 124 PRO CA . 25137 1 1518 . 1 1 124 124 PRO CB C 13 32.3000 0.0000 . 1 . . . A 124 PRO CB . 25137 1 1519 . 1 1 124 124 PRO CG C 13 27.3030 0.0000 . 1 . . . A 124 PRO CG . 25137 1 1520 . 1 1 124 124 PRO CD C 13 50.6230 0.0000 . 1 . . . A 124 PRO CD . 25137 1 1521 . 1 1 125 125 ALA H H 1 8.0000 0.0000 . 1 . . . A 125 ALA H . 25137 1 1522 . 1 1 125 125 ALA HA H 1 4.1143 0.0000 . 1 . 79464 . A 125 ALA HA . 25137 1 1523 . 1 1 125 125 ALA HB1 H 1 1.3310 0.0000 . 1 . 78951 . A 125 ALA HB1 . 25137 1 1524 . 1 1 125 125 ALA HB2 H 1 1.3310 0.0000 . 1 . 78951 . A 125 ALA HB2 . 25137 1 1525 . 1 1 125 125 ALA HB3 H 1 1.3310 0.0000 . 1 . 78951 . A 125 ALA HB3 . 25137 1 1526 . 1 1 125 125 ALA CA C 13 53.8000 0.0000 . 1 . . . A 125 ALA CA . 25137 1 1527 . 1 1 125 125 ALA CB C 13 20.2400 0.0000 . 1 . . . A 125 ALA CB . 25137 1 1528 . 1 1 125 125 ALA N N 15 130.3100 0.0000 . 1 . . . A 125 ALA N . 25137 1 stop_ save_