data_17751 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17751 _Entry.Title ; Solution structure of Diiron protein in presence of 8 eq Zn2+, Northeast Structural Genomics consortium target OR21 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-06-29 _Entry.Accession_date 2011-06-29 _Entry.Last_release_date 2011-08-25 _Entry.Original_release_date 2011-08-25 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Macros Pires . . . 17751 2 Yibing Wu . . . 17751 3 Jeffrey Mills . . . 17751 4 Amanda Reig . . . 17751 5 Walter Englander . . . 17751 6 William DeGrado . . . 17751 7 Thomas Szyperski . . . 17751 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 . 'PSI, Protein Structure Initiative' 'Northeast Structural Genomics Consortium' . 17751 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DE NOVO PROTEIN' . 17751 'FOUR-HELIX BUNDLE' . 17751 NMR . 17751 structure . 17751 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17751 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 404 17751 '15N chemical shifts' 126 17751 '1H chemical shifts' 865 17751 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-08-25 2011-06-29 original author . 17751 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LFF 'BMRB Entry Tracking System' 17751 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17751 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure of Diiron protein in presence of 8 eq Zn2+' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Macros Pires . . . 17751 1 2 Yibing Wu . . . 17751 1 3 Jeffrey Mills . . . 17751 1 4 Amanda Reig . . . 17751 1 5 Walter Englander . . . 17751 1 6 William DeGrado . . . 17751 1 7 Thomas Szyperski . . . 17751 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17751 _Assembly.ID 1 _Assembly.Name Diiron _Assembly.BMRB_code . _Assembly.Number_of_components 7 _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 Diiron 1 $Diiron A . yes native no no . . . 17751 1 2 7-(PYRIDIN-2-YLMETHYL)QUINOLIN-8-OL_1 2 $ZIN B . no native no no . . . 17751 1 3 7-(PYRIDIN-2-YLMETHYL)QUINOLIN-8-OL_2 2 $ZIN C . no native no no . . . 17751 1 4 7-(PYRIDIN-2-YLMETHYL)QUINOLIN-8-OL_3 2 $ZIN D . no native no no . . . 17751 1 5 'Zinc Ion 1' 3 $ZN E . no native no no . . . 17751 1 6 'Zinc Ion 2' 3 $ZN F . no native no no . . . 17751 1 7 'Zinc Ion 3' 3 $ZN G . no native no no . . . 17751 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Diiron _Entity.Sf_category entity _Entity.Sf_framecode Diiron _Entity.Entry_ID 17751 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Diiron _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 ; MDELRELLKAEQQGIKILKE VLKKAKEGDEQELARLNQEI VKAEKQGVKVYKEAAEKARN PEKRQVIDKILEDEEKHIEW HKAASKQGNAEQFASLVQQH LQDEQRHVEEIEKKN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 115 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13489.420 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 17749 . entity_1 . . . . . 100.00 115 100.00 100.00 2.29e-70 . . . . 17751 1 2 no PDB 2LFD . "Solution Nmr Structure Of Diiron Protein In Presence Of 2 Eq Zn2+, Northeast Structural Genomics Consortium Target Or21" . . . . . 100.00 115 100.00 100.00 2.29e-70 . . . . 17751 1 3 no PDB 2LFF . "Solution Structure Of Diiron Protein In Presence Of 8 Eq Zn2+, Northeast Structural Genomics Consortium Target Or21" . . . . . 100.00 115 100.00 100.00 2.29e-70 . . . . 17751 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 17751 1 2 2 ASP . 17751 1 3 3 GLU . 17751 1 4 4 LEU . 17751 1 5 5 ARG . 17751 1 6 6 GLU . 17751 1 7 7 LEU . 17751 1 8 8 LEU . 17751 1 9 9 LYS . 17751 1 10 10 ALA . 17751 1 11 11 GLU . 17751 1 12 12 GLN . 17751 1 13 13 GLN . 17751 1 14 14 GLY . 17751 1 15 15 ILE . 17751 1 16 16 LYS . 17751 1 17 17 ILE . 17751 1 18 18 LEU . 17751 1 19 19 LYS . 17751 1 20 20 GLU . 17751 1 21 21 VAL . 17751 1 22 22 LEU . 17751 1 23 23 LYS . 17751 1 24 24 LYS . 17751 1 25 25 ALA . 17751 1 26 26 LYS . 17751 1 27 27 GLU . 17751 1 28 28 GLY . 17751 1 29 29 ASP . 17751 1 30 30 GLU . 17751 1 31 31 GLN . 17751 1 32 32 GLU . 17751 1 33 33 LEU . 17751 1 34 34 ALA . 17751 1 35 35 ARG . 17751 1 36 36 LEU . 17751 1 37 37 ASN . 17751 1 38 38 GLN . 17751 1 39 39 GLU . 17751 1 40 40 ILE . 17751 1 41 41 VAL . 17751 1 42 42 LYS . 17751 1 43 43 ALA . 17751 1 44 44 GLU . 17751 1 45 45 LYS . 17751 1 46 46 GLN . 17751 1 47 47 GLY . 17751 1 48 48 VAL . 17751 1 49 49 LYS . 17751 1 50 50 VAL . 17751 1 51 51 TYR . 17751 1 52 52 LYS . 17751 1 53 53 GLU . 17751 1 54 54 ALA . 17751 1 55 55 ALA . 17751 1 56 56 GLU . 17751 1 57 57 LYS . 17751 1 58 58 ALA . 17751 1 59 59 ARG . 17751 1 60 60 ASN . 17751 1 61 61 PRO . 17751 1 62 62 GLU . 17751 1 63 63 LYS . 17751 1 64 64 ARG . 17751 1 65 65 GLN . 17751 1 66 66 VAL . 17751 1 67 67 ILE . 17751 1 68 68 ASP . 17751 1 69 69 LYS . 17751 1 70 70 ILE . 17751 1 71 71 LEU . 17751 1 72 72 GLU . 17751 1 73 73 ASP . 17751 1 74 74 GLU . 17751 1 75 75 GLU . 17751 1 76 76 LYS . 17751 1 77 77 HIS . 17751 1 78 78 ILE . 17751 1 79 79 GLU . 17751 1 80 80 TRP . 17751 1 81 81 HIS . 17751 1 82 82 LYS . 17751 1 83 83 ALA . 17751 1 84 84 ALA . 17751 1 85 85 SER . 17751 1 86 86 LYS . 17751 1 87 87 GLN . 17751 1 88 88 GLY . 17751 1 89 89 ASN . 17751 1 90 90 ALA . 17751 1 91 91 GLU . 17751 1 92 92 GLN . 17751 1 93 93 PHE . 17751 1 94 94 ALA . 17751 1 95 95 SER . 17751 1 96 96 LEU . 17751 1 97 97 VAL . 17751 1 98 98 GLN . 17751 1 99 99 GLN . 17751 1 100 100 HIS . 17751 1 101 101 LEU . 17751 1 102 102 GLN . 17751 1 103 103 ASP . 17751 1 104 104 GLU . 17751 1 105 105 GLN . 17751 1 106 106 ARG . 17751 1 107 107 HIS . 17751 1 108 108 VAL . 17751 1 109 109 GLU . 17751 1 110 110 GLU . 17751 1 111 111 ILE . 17751 1 112 112 GLU . 17751 1 113 113 LYS . 17751 1 114 114 LYS . 17751 1 115 115 ASN . 17751 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 17751 1 . ASP 2 2 17751 1 . GLU 3 3 17751 1 . LEU 4 4 17751 1 . ARG 5 5 17751 1 . GLU 6 6 17751 1 . LEU 7 7 17751 1 . LEU 8 8 17751 1 . LYS 9 9 17751 1 . ALA 10 10 17751 1 . GLU 11 11 17751 1 . GLN 12 12 17751 1 . GLN 13 13 17751 1 . GLY 14 14 17751 1 . ILE 15 15 17751 1 . LYS 16 16 17751 1 . ILE 17 17 17751 1 . LEU 18 18 17751 1 . LYS 19 19 17751 1 . GLU 20 20 17751 1 . VAL 21 21 17751 1 . LEU 22 22 17751 1 . LYS 23 23 17751 1 . LYS 24 24 17751 1 . ALA 25 25 17751 1 . LYS 26 26 17751 1 . GLU 27 27 17751 1 . GLY 28 28 17751 1 . ASP 29 29 17751 1 . GLU 30 30 17751 1 . GLN 31 31 17751 1 . GLU 32 32 17751 1 . LEU 33 33 17751 1 . ALA 34 34 17751 1 . ARG 35 35 17751 1 . LEU 36 36 17751 1 . ASN 37 37 17751 1 . GLN 38 38 17751 1 . GLU 39 39 17751 1 . ILE 40 40 17751 1 . VAL 41 41 17751 1 . LYS 42 42 17751 1 . ALA 43 43 17751 1 . GLU 44 44 17751 1 . LYS 45 45 17751 1 . GLN 46 46 17751 1 . GLY 47 47 17751 1 . VAL 48 48 17751 1 . LYS 49 49 17751 1 . VAL 50 50 17751 1 . TYR 51 51 17751 1 . LYS 52 52 17751 1 . GLU 53 53 17751 1 . ALA 54 54 17751 1 . ALA 55 55 17751 1 . GLU 56 56 17751 1 . LYS 57 57 17751 1 . ALA 58 58 17751 1 . ARG 59 59 17751 1 . ASN 60 60 17751 1 . PRO 61 61 17751 1 . GLU 62 62 17751 1 . LYS 63 63 17751 1 . ARG 64 64 17751 1 . GLN 65 65 17751 1 . VAL 66 66 17751 1 . ILE 67 67 17751 1 . ASP 68 68 17751 1 . LYS 69 69 17751 1 . ILE 70 70 17751 1 . LEU 71 71 17751 1 . GLU 72 72 17751 1 . ASP 73 73 17751 1 . GLU 74 74 17751 1 . GLU 75 75 17751 1 . LYS 76 76 17751 1 . HIS 77 77 17751 1 . ILE 78 78 17751 1 . GLU 79 79 17751 1 . TRP 80 80 17751 1 . HIS 81 81 17751 1 . LYS 82 82 17751 1 . ALA 83 83 17751 1 . ALA 84 84 17751 1 . SER 85 85 17751 1 . LYS 86 86 17751 1 . GLN 87 87 17751 1 . GLY 88 88 17751 1 . ASN 89 89 17751 1 . ALA 90 90 17751 1 . GLU 91 91 17751 1 . GLN 92 92 17751 1 . PHE 93 93 17751 1 . ALA 94 94 17751 1 . SER 95 95 17751 1 . LEU 96 96 17751 1 . VAL 97 97 17751 1 . GLN 98 98 17751 1 . GLN 99 99 17751 1 . HIS 100 100 17751 1 . LEU 101 101 17751 1 . GLN 102 102 17751 1 . ASP 103 103 17751 1 . GLU 104 104 17751 1 . GLN 105 105 17751 1 . ARG 106 106 17751 1 . HIS 107 107 17751 1 . VAL 108 108 17751 1 . GLU 109 109 17751 1 . GLU 110 110 17751 1 . ILE 111 111 17751 1 . GLU 112 112 17751 1 . LYS 113 113 17751 1 . LYS 114 114 17751 1 . ASN 115 115 17751 1 stop_ save_ save_ZIN _Entity.Sf_category entity _Entity.Sf_framecode ZIN _Entity.Entry_ID 17751 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ZIN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ZIN _Entity.Nonpolymer_comp_label $chem_comp_ZIN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ZIN . 17751 2 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 17751 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ZN . 17751 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 17751 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Diiron . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 17751 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 17751 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Diiron . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . BL21 . . . . . . 17751 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 17751 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jul 8 17:44:25 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 17751 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 17751 ZN [Zn++] SMILES CACTVS 3.341 17751 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 17751 ZN [Zn+2] SMILES ACDLabs 10.04 17751 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 17751 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 17751 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 17751 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 17751 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN . ZN . . ZN . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 17751 ZN stop_ save_ save_chem_comp_ZIN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZIN _Chem_comp.Entry_ID 17751 _Chem_comp.ID ZIN _Chem_comp.Provenance . _Chem_comp.Name 7-(pyridin-2-ylmethyl)quinolin-8-ol _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZIN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2009-09-15 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZIN _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C15 H12 N2 O' _Chem_comp.Formula_weight 236.269 _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 3JTU _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 13 17:10:48 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID c1ccnc(c1)Cc2ccc3cccnc3c2O SMILES 'OpenEye OEToolkits' 1.7.0 17751 ZIN c1ccnc(c1)Cc2ccc3cccnc3c2O SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.0 17751 ZIN InChI=1S/C15H12N2O/c18-15-12(10-13-5-1-2-8-16-13)7-6-11-4-3-9-17-14(11)15/h1-9,18H,10H2 InChI InChI 1.03 17751 ZIN Oc1c(Cc2ccccn2)ccc3cccnc13 SMILES CACTVS 3.352 17751 ZIN Oc1c(Cc2ccccn2)ccc3cccnc13 SMILES_CANONICAL CACTVS 3.352 17751 ZIN Oc1c(ccc2cccnc12)Cc3ncccc3 SMILES ACDLabs 11.02 17751 ZIN WLWQZKQFQNNCAP-UHFFFAOYSA-N InChIKey InChI 1.03 17751 ZIN 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 7-(pyridin-2-ylmethyl)quinolin-8-ol 'SYSTEMATIC NAME' ACDLabs 11.02 17751 ZIN 7-(pyridin-2-ylmethyl)quinolin-8-ol 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.6.1 17751 ZIN 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 CAA . CAA . . C . . N 0 . . . . yes no . . . . 14.160 . -2.443 . 1.979 . 0.100 0.779 0.809 1 . 17751 ZIN CAB . CAB . . C . . N 0 . . . . yes no . . . . 14.741 . -1.841 . 3.092 . -0.675 -0.346 0.826 2 . 17751 ZIN CAC . CAC . . C . . N 0 . . . . no no . . . . 14.870 . -3.606 . 1.281 . 1.465 0.748 1.446 3 . 17751 ZIN CAD . CAD . . C . . N 0 . . . . yes no . . . . 14.144 . -0.724 . 3.669 . -1.954 -0.321 0.231 4 . 17751 ZIN CAF . CAF . . C . . N 0 . . . . yes no . . . . 12.973 . -1.937 . 1.454 . -0.350 1.951 0.209 5 . 17751 ZIN NAG . NAG . . N . . N 0 . . . . yes no . . . . 14.725 . -0.117 . 4.716 . -2.736 -1.404 0.230 6 . 17751 ZIN CAH . CAH . . C . . N 0 . . . . yes no . . . . 15.463 . -3.084 . -0.031 . 2.468 0.212 0.457 7 . 17751 ZIN NAI . NAI . . N . . N 0 . . . . yes no . . . . 14.737 . -3.148 . -1.160 . 2.262 -0.960 -0.110 8 . 17751 ZIN CAJ . CAJ . . C . . N 0 . . . . yes no . . . . 12.963 . -0.215 . 3.135 . -2.408 0.877 -0.373 9 . 17751 ZIN CAK . CAK . . C . . N 0 . . . . yes no . . . . 12.373 . -0.822 . 2.031 . -1.578 2.010 -0.379 10 . 17751 ZIN OAM . OAM . . O . . N 0 . . . . no no . . . . 15.888 . -2.346 . 3.623 . -0.217 -1.483 1.412 11 . 17751 ZIN CAT . CAT . . C . . N 0 . . . . yes no . . . . 14.217 . 0.970 . 5.271 . -3.925 -1.386 -0.322 12 . 17751 ZIN CAU . CAU . . C . . N 0 . . . . yes no . . . . 15.183 . -2.679 . -2.313 . 3.111 -1.469 -0.981 13 . 17751 ZIN CAV . CAV . . C . . N 0 . . . . yes no . . . . 16.733 . -2.516 . -0.047 . 3.591 0.957 0.150 14 . 17751 ZIN CAW . CAW . . C . . N 0 . . . . yes no . . . . 12.405 . 0.927 . 3.701 . -3.684 0.901 -0.967 15 . 17751 ZIN CAY . CAY . . C . . N 0 . . . . yes no . . . . 13.040 . 1.530 . 4.782 . -4.432 -0.241 -0.933 16 . 17751 ZIN CAZ . CAZ . . C . . N 0 . . . . yes no . . . . 16.444 . -2.095 . -2.395 . 4.259 -0.783 -1.332 17 . 17751 ZIN CBA . CBA . . C . . N 0 . . . . yes no . . . . 17.226 . -2.015 . -1.248 . 4.507 0.456 -0.761 18 . 17751 ZIN HAC . HAC . . H . . N 0 . . . . no no . . . . 15.671 . -3.997 . 1.925 . 1.751 1.758 1.742 19 . 17751 ZIN HACA . HACA . . H . . N 0 . . . . no no . . . . 14.152 . -4.413 . 1.073 . 1.442 0.104 2.325 20 . 17751 ZIN HAF . HAF . . H . . N 0 . . . . no no . . . . 12.517 . -2.411 . 0.597 . 0.282 2.826 0.210 21 . 17751 ZIN HAK . HAK . . H . . N 0 . . . . no no . . . . 11.453 . -0.429 . 1.623 . -1.914 2.927 -0.841 22 . 17751 ZIN HOAM . HOAM . . H . . N 0 . . . . no no . . . . 16.148 . -1.822 . 4.372 . -0.437 -1.558 2.351 23 . 17751 ZIN HAT . HAT . . H . . N 0 . . . . no no . . . . 14.719 . 1.427 . 6.111 . -4.527 -2.282 -0.302 24 . 17751 ZIN HAU . HAU . . H . . N 0 . . . . no no . . . . 14.565 . -2.749 . -3.196 . 2.908 -2.432 -1.425 25 . 17751 ZIN HAV . HAV . . H . . N 0 . . . . no no . . . . 17.325 . -2.465 . 0.855 . 3.753 1.919 0.614 26 . 17751 ZIN HAW . HAW . . H . . N 0 . . . . no no . . . . 11.489 . 1.341 . 3.306 . -4.061 1.798 -1.436 27 . 17751 ZIN HAY . HAY . . H . . N 0 . . . . no no . . . . 12.626 . 2.419 . 5.235 . -5.415 -0.257 -1.379 28 . 17751 ZIN HAZ . HAZ . . H . . N 0 . . . . no no . . . . 16.809 . -1.710 . -3.335 . 4.951 -1.205 -2.046 29 . 17751 ZIN HBA . HBA . . H . . N 0 . . . . no no . . . . 18.208 . -1.568 . -1.289 . 5.396 1.014 -1.017 30 . 17751 ZIN 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 CAC CAA no N 1 . 17751 ZIN 2 . DOUB CAF CAA yes N 2 . 17751 ZIN 3 . SING CAA CAB yes N 3 . 17751 ZIN 4 . SING CAB OAM no N 4 . 17751 ZIN 5 . DOUB CAB CAD yes N 5 . 17751 ZIN 6 . SING CAH CAC no N 6 . 17751 ZIN 7 . SING CAC HAC no N 7 . 17751 ZIN 8 . SING CAC HACA no N 8 . 17751 ZIN 9 . SING CAJ CAD yes N 9 . 17751 ZIN 10 . SING CAD NAG yes N 10 . 17751 ZIN 11 . SING CAF CAK yes N 11 . 17751 ZIN 12 . SING CAF HAF no N 12 . 17751 ZIN 13 . DOUB NAG CAT yes N 13 . 17751 ZIN 14 . DOUB NAI CAH yes N 14 . 17751 ZIN 15 . SING CAV CAH yes N 15 . 17751 ZIN 16 . SING CAU NAI yes N 16 . 17751 ZIN 17 . DOUB CAK CAJ yes N 17 . 17751 ZIN 18 . SING CAJ CAW yes N 18 . 17751 ZIN 19 . SING CAK HAK no N 19 . 17751 ZIN 20 . SING OAM HOAM no N 20 . 17751 ZIN 21 . SING CAY CAT yes N 21 . 17751 ZIN 22 . SING CAT HAT no N 22 . 17751 ZIN 23 . DOUB CAZ CAU yes N 23 . 17751 ZIN 24 . SING CAU HAU no N 24 . 17751 ZIN 25 . DOUB CBA CAV yes N 25 . 17751 ZIN 26 . SING CAV HAV no N 26 . 17751 ZIN 27 . DOUB CAW CAY yes N 27 . 17751 ZIN 28 . SING CAW HAW no N 28 . 17751 ZIN 29 . SING CAY HAY no N 29 . 17751 ZIN 30 . SING CAZ CBA yes N 30 . 17751 ZIN 31 . SING CAZ HAZ no N 31 . 17751 ZIN 32 . SING CBA HBA no N 32 . 17751 ZIN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17751 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Diiron '[U-100% 13C; U-100% 15N]' . . 1 $Diiron . . 0.8 . . mM . . . . 17751 1 2 H2O 'natural abundance' . . . . . . 95.0 . . % . . . . 17751 1 3 D2O 'natural abundance' . . . . . . 5.0 . . % . . . . 17751 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17751 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Diiron '[U-10% 13C; U-100% 15N]' . . 1 $Diiron . . 0.3 . . mM . . . . 17751 2 2 H2O 'natural abundance' . . . . . . 95.0 . . % . . . . 17751 2 3 D2O 'natural abundance' . . . . . . 5.0 . . % . . . . 17751 2 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 17751 _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' 0.2 . M 17751 1 pH 7.8 . pH 17751 1 pressure 1 . atm 17751 1 temperature 298 . K 17751 1 stop_ save_ ############################ # Computer software used # ############################ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 17751 _Software.ID 1 _Software.Name AutoStruct _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Huang, Tejero, Powers and Montelione' . . 17751 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17751 1 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 17751 _Software.ID 2 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 17751 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17751 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17751 _Software.ID 3 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 17751 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17751 3 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17751 _Software.ID 4 _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' . . 17751 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17751 4 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 17751 _Software.ID 5 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 17751 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17751 5 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 17751 _Software.ID 6 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 17751 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 17751 6 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 17751 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17751 _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 17751 _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 . 750 . . . 17751 1 2 spectrometer_2 Varian INOVA . 600 . . . 17751 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 17751 _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 . . . . . . . . . . . . . . . . . . . . . 17751 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17751 1 3 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17751 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17751 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17751 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17751 1 7 '3D CCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17751 1 8 '(4,3)D HCCH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17751 1 9 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17751 1 10 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17751 1 11 '3D 15N,13C- simNOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17751 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 17751 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 n/a indirect 0.251449530 . . . . . . . . . 17751 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17751 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 n/a indirect 0.101329118 . . . . . . . . . 17751 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 17751 _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 4 '3D CBCA(CO)NH' . . . 17751 1 5 '3D HNCACB' . . . 17751 1 6 '3D HBHA(CO)NH' . . . 17751 1 7 '3D CCH-TOCSY' . . . 17751 1 8 '(4,3)D HCCH' . . . 17751 1 11 '3D 15N,13C- simNOESY' . . . 17751 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 MET HE1 H 1 2.120 0.020 . 1 . . . A 1 MET HE1 . 17751 1 2 . 1 1 1 1 MET HE2 H 1 2.120 0.020 . 1 . . . A 1 MET HE2 . 17751 1 3 . 1 1 1 1 MET HE3 H 1 2.120 0.020 . 1 . . . A 1 MET HE3 . 17751 1 4 . 1 1 1 1 MET CE C 13 17.000 0.050 . 1 . . . A 1 MET CE . 17751 1 5 . 1 1 3 3 GLU HA H 1 4.260 0.020 . 1 . . . A 3 GLU HA . 17751 1 6 . 1 1 3 3 GLU HB2 H 1 2.040 0.020 . 2 . . . A 3 GLU HB2 . 17751 1 7 . 1 1 3 3 GLU HB3 H 1 2.040 0.020 . 2 . . . A 3 GLU HB3 . 17751 1 8 . 1 1 3 3 GLU HG2 H 1 2.310 0.020 . 2 . . . A 3 GLU HG2 . 17751 1 9 . 1 1 3 3 GLU HG3 H 1 2.310 0.020 . 2 . . . A 3 GLU HG3 . 17751 1 10 . 1 1 3 3 GLU CB C 13 30.100 0.050 . 1 . . . A 3 GLU CB . 17751 1 11 . 1 1 3 3 GLU CG C 13 36.000 0.050 . 1 . . . A 3 GLU CG . 17751 1 12 . 1 1 4 4 LEU HA H 1 4.140 0.020 . 1 . . . A 4 LEU HA . 17751 1 13 . 1 1 4 4 LEU HB2 H 1 1.740 0.020 . 2 . . . A 4 LEU HB2 . 17751 1 14 . 1 1 4 4 LEU HB3 H 1 1.740 0.020 . 2 . . . A 4 LEU HB3 . 17751 1 15 . 1 1 4 4 LEU HG H 1 1.690 0.020 . 1 . . . A 4 LEU HG . 17751 1 16 . 1 1 4 4 LEU HD11 H 1 0.970 0.020 . 2 . . . A 4 LEU HD11 . 17751 1 17 . 1 1 4 4 LEU HD12 H 1 0.970 0.020 . 2 . . . A 4 LEU HD12 . 17751 1 18 . 1 1 4 4 LEU HD13 H 1 0.970 0.020 . 2 . . . A 4 LEU HD13 . 17751 1 19 . 1 1 4 4 LEU HD21 H 1 0.970 0.020 . 2 . . . A 4 LEU HD21 . 17751 1 20 . 1 1 4 4 LEU HD22 H 1 0.970 0.020 . 2 . . . A 4 LEU HD22 . 17751 1 21 . 1 1 4 4 LEU HD23 H 1 0.970 0.020 . 2 . . . A 4 LEU HD23 . 17751 1 22 . 1 1 4 4 LEU CA C 13 57.800 0.050 . 1 . . . A 4 LEU CA . 17751 1 23 . 1 1 4 4 LEU CB C 13 41.000 0.050 . 1 . . . A 4 LEU CB . 17751 1 24 . 1 1 4 4 LEU CG C 13 27.100 0.050 . 1 . . . A 4 LEU CG . 17751 1 25 . 1 1 4 4 LEU CD1 C 13 24.700 0.050 . 1 . . . A 4 LEU CD1 . 17751 1 26 . 1 1 4 4 LEU CD2 C 13 24.700 0.050 . 1 . . . A 4 LEU CD2 . 17751 1 27 . 1 1 5 5 ARG H H 1 8.240 0.020 . 1 . . . A 5 ARG H . 17751 1 28 . 1 1 5 5 ARG HA H 1 3.970 0.020 . 1 . . . A 5 ARG HA . 17751 1 29 . 1 1 5 5 ARG HB2 H 1 1.920 0.020 . 2 . . . A 5 ARG HB2 . 17751 1 30 . 1 1 5 5 ARG HB3 H 1 1.940 0.020 . 2 . . . A 5 ARG HB3 . 17751 1 31 . 1 1 5 5 ARG HG2 H 1 1.580 0.020 . 2 . . . A 5 ARG HG2 . 17751 1 32 . 1 1 5 5 ARG HG3 H 1 1.670 0.020 . 2 . . . A 5 ARG HG3 . 17751 1 33 . 1 1 5 5 ARG HD2 H 1 3.240 0.020 . 2 . . . A 5 ARG HD2 . 17751 1 34 . 1 1 5 5 ARG HD3 H 1 3.240 0.020 . 2 . . . A 5 ARG HD3 . 17751 1 35 . 1 1 5 5 ARG CA C 13 59.500 0.050 . 1 . . . A 5 ARG CA . 17751 1 36 . 1 1 5 5 ARG CB C 13 29.700 0.050 . 1 . . . A 5 ARG CB . 17751 1 37 . 1 1 5 5 ARG CG C 13 27.300 0.050 . 1 . . . A 5 ARG CG . 17751 1 38 . 1 1 5 5 ARG CD C 13 43.100 0.050 . 1 . . . A 5 ARG CD . 17751 1 39 . 1 1 5 5 ARG N N 15 120.600 0.050 . 1 . . . A 5 ARG N . 17751 1 40 . 1 1 6 6 GLU H H 1 8.340 0.020 . 1 . . . A 6 GLU H . 17751 1 41 . 1 1 6 6 GLU HA H 1 4.010 0.020 . 1 . . . A 6 GLU HA . 17751 1 42 . 1 1 6 6 GLU HB2 H 1 2.040 0.020 . 2 . . . A 6 GLU HB2 . 17751 1 43 . 1 1 6 6 GLU HB3 H 1 2.040 0.020 . 2 . . . A 6 GLU HB3 . 17751 1 44 . 1 1 6 6 GLU HG2 H 1 2.310 0.020 . 2 . . . A 6 GLU HG2 . 17751 1 45 . 1 1 6 6 GLU HG3 H 1 2.310 0.020 . 2 . . . A 6 GLU HG3 . 17751 1 46 . 1 1 6 6 GLU CA C 13 59.300 0.050 . 1 . . . A 6 GLU CA . 17751 1 47 . 1 1 6 6 GLU CB C 13 29.300 0.050 . 1 . . . A 6 GLU CB . 17751 1 48 . 1 1 6 6 GLU CG C 13 36.000 0.050 . 1 . . . A 6 GLU CG . 17751 1 49 . 1 1 6 6 GLU N N 15 120.700 0.050 . 1 . . . A 6 GLU N . 17751 1 50 . 1 1 7 7 LEU H H 1 8.050 0.020 . 1 . . . A 7 LEU H . 17751 1 51 . 1 1 7 7 LEU HA H 1 3.850 0.020 . 1 . . . A 7 LEU HA . 17751 1 52 . 1 1 7 7 LEU HB2 H 1 1.840 0.020 . 2 . . . A 7 LEU HB2 . 17751 1 53 . 1 1 7 7 LEU HB3 H 1 1.350 0.020 . 2 . . . A 7 LEU HB3 . 17751 1 54 . 1 1 7 7 LEU HG H 1 1.570 0.020 . 1 . . . A 7 LEU HG . 17751 1 55 . 1 1 7 7 LEU HD11 H 1 0.610 0.020 . 2 . . . A 7 LEU HD11 . 17751 1 56 . 1 1 7 7 LEU HD12 H 1 0.610 0.020 . 2 . . . A 7 LEU HD12 . 17751 1 57 . 1 1 7 7 LEU HD13 H 1 0.610 0.020 . 2 . . . A 7 LEU HD13 . 17751 1 58 . 1 1 7 7 LEU HD21 H 1 0.120 0.020 . 2 . . . A 7 LEU HD21 . 17751 1 59 . 1 1 7 7 LEU HD22 H 1 0.120 0.020 . 2 . . . A 7 LEU HD22 . 17751 1 60 . 1 1 7 7 LEU HD23 H 1 0.120 0.020 . 2 . . . A 7 LEU HD23 . 17751 1 61 . 1 1 7 7 LEU CA C 13 57.700 0.050 . 1 . . . A 7 LEU CA . 17751 1 62 . 1 1 7 7 LEU CB C 13 41.500 0.050 . 1 . . . A 7 LEU CB . 17751 1 63 . 1 1 7 7 LEU CG C 13 26.300 0.050 . 1 . . . A 7 LEU CG . 17751 1 64 . 1 1 7 7 LEU CD1 C 13 24.500 0.050 . 1 . . . A 7 LEU CD1 . 17751 1 65 . 1 1 7 7 LEU CD2 C 13 22.600 0.050 . 1 . . . A 7 LEU CD2 . 17751 1 66 . 1 1 7 7 LEU N N 15 118.400 0.050 . 1 . . . A 7 LEU N . 17751 1 67 . 1 1 8 8 LEU H H 1 8.050 0.020 . 1 . . . A 8 LEU H . 17751 1 68 . 1 1 8 8 LEU HA H 1 3.920 0.020 . 1 . . . A 8 LEU HA . 17751 1 69 . 1 1 8 8 LEU HB2 H 1 1.790 0.020 . 2 . . . A 8 LEU HB2 . 17751 1 70 . 1 1 8 8 LEU HB3 H 1 1.590 0.020 . 2 . . . A 8 LEU HB3 . 17751 1 71 . 1 1 8 8 LEU HG H 1 1.750 0.020 . 1 . . . A 8 LEU HG . 17751 1 72 . 1 1 8 8 LEU HD11 H 1 0.940 0.020 . 2 . . . A 8 LEU HD11 . 17751 1 73 . 1 1 8 8 LEU HD12 H 1 0.940 0.020 . 2 . . . A 8 LEU HD12 . 17751 1 74 . 1 1 8 8 LEU HD13 H 1 0.940 0.020 . 2 . . . A 8 LEU HD13 . 17751 1 75 . 1 1 8 8 LEU HD21 H 1 0.950 0.020 . 2 . . . A 8 LEU HD21 . 17751 1 76 . 1 1 8 8 LEU HD22 H 1 0.950 0.020 . 2 . . . A 8 LEU HD22 . 17751 1 77 . 1 1 8 8 LEU HD23 H 1 0.950 0.020 . 2 . . . A 8 LEU HD23 . 17751 1 78 . 1 1 8 8 LEU CA C 13 58.100 0.050 . 1 . . . A 8 LEU CA . 17751 1 79 . 1 1 8 8 LEU CB C 13 41.500 0.050 . 1 . . . A 8 LEU CB . 17751 1 80 . 1 1 8 8 LEU CG C 13 27.000 0.050 . 1 . . . A 8 LEU CG . 17751 1 81 . 1 1 8 8 LEU CD1 C 13 25.400 0.050 . 1 . . . A 8 LEU CD1 . 17751 1 82 . 1 1 8 8 LEU CD2 C 13 24.100 0.050 . 1 . . . A 8 LEU CD2 . 17751 1 83 . 1 1 8 8 LEU N N 15 118.400 0.050 . 1 . . . A 8 LEU N . 17751 1 84 . 1 1 9 9 LYS H H 1 8.000 0.020 . 1 . . . A 9 LYS H . 17751 1 85 . 1 1 9 9 LYS HA H 1 4.030 0.020 . 1 . . . A 9 LYS HA . 17751 1 86 . 1 1 9 9 LYS HB2 H 1 1.900 0.020 . 2 . . . A 9 LYS HB2 . 17751 1 87 . 1 1 9 9 LYS HB3 H 1 1.900 0.020 . 2 . . . A 9 LYS HB3 . 17751 1 88 . 1 1 9 9 LYS HG2 H 1 1.570 0.020 . 2 . . . A 9 LYS HG2 . 17751 1 89 . 1 1 9 9 LYS HG3 H 1 1.430 0.020 . 2 . . . A 9 LYS HG3 . 17751 1 90 . 1 1 9 9 LYS HD2 H 1 1.570 0.020 . 2 . . . A 9 LYS HD2 . 17751 1 91 . 1 1 9 9 LYS HD3 H 1 1.680 0.020 . 2 . . . A 9 LYS HD3 . 17751 1 92 . 1 1 9 9 LYS HE2 H 1 2.960 0.020 . 2 . . . A 9 LYS HE2 . 17751 1 93 . 1 1 9 9 LYS HE3 H 1 2.960 0.020 . 2 . . . A 9 LYS HE3 . 17751 1 94 . 1 1 9 9 LYS CA C 13 59.500 0.050 . 1 . . . A 9 LYS CA . 17751 1 95 . 1 1 9 9 LYS CB C 13 32.400 0.050 . 1 . . . A 9 LYS CB . 17751 1 96 . 1 1 9 9 LYS CG C 13 25.000 0.050 . 1 . . . A 9 LYS CG . 17751 1 97 . 1 1 9 9 LYS CD C 13 29.600 0.050 . 1 . . . A 9 LYS CD . 17751 1 98 . 1 1 9 9 LYS CE C 13 41.800 0.050 . 1 . . . A 9 LYS CE . 17751 1 99 . 1 1 9 9 LYS N N 15 118.300 0.050 . 1 . . . A 9 LYS N . 17751 1 100 . 1 1 10 10 ALA H H 1 7.740 0.020 . 1 . . . A 10 ALA H . 17751 1 101 . 1 1 10 10 ALA HA H 1 4.210 0.020 . 1 . . . A 10 ALA HA . 17751 1 102 . 1 1 10 10 ALA HB1 H 1 1.550 0.020 . 1 . . . A 10 ALA HB1 . 17751 1 103 . 1 1 10 10 ALA HB2 H 1 1.550 0.020 . 1 . . . A 10 ALA HB2 . 17751 1 104 . 1 1 10 10 ALA HB3 H 1 1.550 0.020 . 1 . . . A 10 ALA HB3 . 17751 1 105 . 1 1 10 10 ALA CA C 13 55.200 0.050 . 1 . . . A 10 ALA CA . 17751 1 106 . 1 1 10 10 ALA CB C 13 17.500 0.050 . 1 . . . A 10 ALA CB . 17751 1 107 . 1 1 10 10 ALA N N 15 121.500 0.050 . 1 . . . A 10 ALA N . 17751 1 108 . 1 1 11 11 GLU H H 1 8.490 0.020 . 1 . . . A 11 GLU H . 17751 1 109 . 1 1 11 11 GLU HA H 1 4.870 0.020 . 1 . . . A 11 GLU HA . 17751 1 110 . 1 1 11 11 GLU HB2 H 1 2.050 0.020 . 2 . . . A 11 GLU HB2 . 17751 1 111 . 1 1 11 11 GLU HB3 H 1 2.050 0.020 . 2 . . . A 11 GLU HB3 . 17751 1 112 . 1 1 11 11 GLU HG2 H 1 2.360 0.020 . 2 . . . A 11 GLU HG2 . 17751 1 113 . 1 1 11 11 GLU HG3 H 1 2.770 0.020 . 2 . . . A 11 GLU HG3 . 17751 1 114 . 1 1 11 11 GLU CA C 13 57.500 0.050 . 1 . . . A 11 GLU CA . 17751 1 115 . 1 1 11 11 GLU CB C 13 29.900 0.050 . 1 . . . A 11 GLU CB . 17751 1 116 . 1 1 11 11 GLU CG C 13 32.400 0.050 . 1 . . . A 11 GLU CG . 17751 1 117 . 1 1 11 11 GLU N N 15 117.300 0.050 . 1 . . . A 11 GLU N . 17751 1 118 . 1 1 12 12 GLN H H 1 8.840 0.020 . 1 . . . A 12 GLN H . 17751 1 119 . 1 1 12 12 GLN HA H 1 4.090 0.020 . 1 . . . A 12 GLN HA . 17751 1 120 . 1 1 12 12 GLN HB2 H 1 2.270 0.020 . 2 . . . A 12 GLN HB2 . 17751 1 121 . 1 1 12 12 GLN HB3 H 1 2.090 0.020 . 2 . . . A 12 GLN HB3 . 17751 1 122 . 1 1 12 12 GLN HG2 H 1 2.600 0.020 . 2 . . . A 12 GLN HG2 . 17751 1 123 . 1 1 12 12 GLN HG3 H 1 2.520 0.020 . 2 . . . A 12 GLN HG3 . 17751 1 124 . 1 1 12 12 GLN HE21 H 1 6.820 0.020 . 2 . . . A 12 GLN HE21 . 17751 1 125 . 1 1 12 12 GLN HE22 H 1 7.210 0.020 . 2 . . . A 12 GLN HE22 . 17751 1 126 . 1 1 12 12 GLN CA C 13 58.900 0.050 . 1 . . . A 12 GLN CA . 17751 1 127 . 1 1 12 12 GLN CB C 13 27.600 0.050 . 1 . . . A 12 GLN CB . 17751 1 128 . 1 1 12 12 GLN CG C 13 33.600 0.050 . 1 . . . A 12 GLN CG . 17751 1 129 . 1 1 12 12 GLN N N 15 118.100 0.050 . 1 . . . A 12 GLN N . 17751 1 130 . 1 1 12 12 GLN NE2 N 15 109.900 0.050 . 1 . . . A 12 GLN NE2 . 17751 1 131 . 1 1 13 13 GLN H H 1 8.020 0.020 . 1 . . . A 13 GLN H . 17751 1 132 . 1 1 13 13 GLN HA H 1 4.190 0.020 . 1 . . . A 13 GLN HA . 17751 1 133 . 1 1 13 13 GLN HB2 H 1 2.300 0.020 . 2 . . . A 13 GLN HB2 . 17751 1 134 . 1 1 13 13 GLN HB3 H 1 2.160 0.020 . 2 . . . A 13 GLN HB3 . 17751 1 135 . 1 1 13 13 GLN HG2 H 1 2.580 0.020 . 2 . . . A 13 GLN HG2 . 17751 1 136 . 1 1 13 13 GLN HG3 H 1 2.400 0.020 . 2 . . . A 13 GLN HG3 . 17751 1 137 . 1 1 13 13 GLN HE21 H 1 6.960 0.020 . 2 . . . A 13 GLN HE21 . 17751 1 138 . 1 1 13 13 GLN HE22 H 1 7.400 0.020 . 2 . . . A 13 GLN HE22 . 17751 1 139 . 1 1 13 13 GLN CA C 13 58.700 0.050 . 1 . . . A 13 GLN CA . 17751 1 140 . 1 1 13 13 GLN CB C 13 27.700 0.050 . 1 . . . A 13 GLN CB . 17751 1 141 . 1 1 13 13 GLN CG C 13 33.400 0.050 . 1 . . . A 13 GLN CG . 17751 1 142 . 1 1 13 13 GLN N N 15 120.500 0.050 . 1 . . . A 13 GLN N . 17751 1 143 . 1 1 13 13 GLN NE2 N 15 111.000 0.050 . 1 . . . A 13 GLN NE2 . 17751 1 144 . 1 1 14 14 GLY H H 1 7.630 0.020 . 1 . . . A 14 GLY H . 17751 1 145 . 1 1 14 14 GLY HA2 H 1 4.240 0.020 . 2 . . . A 14 GLY HA2 . 17751 1 146 . 1 1 14 14 GLY HA3 H 1 3.640 0.020 . 2 . . . A 14 GLY HA3 . 17751 1 147 . 1 1 14 14 GLY CA C 13 47.400 0.050 . 1 . . . A 14 GLY CA . 17751 1 148 . 1 1 14 14 GLY N N 15 105.400 0.050 . 1 . . . A 14 GLY N . 17751 1 149 . 1 1 15 15 ILE H H 1 8.040 0.020 . 1 . . . A 15 ILE H . 17751 1 150 . 1 1 15 15 ILE HA H 1 3.420 0.020 . 1 . . . A 15 ILE HA . 17751 1 151 . 1 1 15 15 ILE HB H 1 1.810 0.020 . 1 . . . A 15 ILE HB . 17751 1 152 . 1 1 15 15 ILE HG12 H 1 0.770 0.020 . 2 . . . A 15 ILE HG12 . 17751 1 153 . 1 1 15 15 ILE HG13 H 1 1.830 0.020 . 2 . . . A 15 ILE HG13 . 17751 1 154 . 1 1 15 15 ILE HG21 H 1 0.890 0.020 . 1 . . . A 15 ILE HG21 . 17751 1 155 . 1 1 15 15 ILE HG22 H 1 0.890 0.020 . 1 . . . A 15 ILE HG22 . 17751 1 156 . 1 1 15 15 ILE HG23 H 1 0.890 0.020 . 1 . . . A 15 ILE HG23 . 17751 1 157 . 1 1 15 15 ILE HD11 H 1 0.760 0.020 . 1 . . . A 15 ILE HD11 . 17751 1 158 . 1 1 15 15 ILE HD12 H 1 0.760 0.020 . 1 . . . A 15 ILE HD12 . 17751 1 159 . 1 1 15 15 ILE HD13 H 1 0.760 0.020 . 1 . . . A 15 ILE HD13 . 17751 1 160 . 1 1 15 15 ILE CA C 13 66.200 0.050 . 1 . . . A 15 ILE CA . 17751 1 161 . 1 1 15 15 ILE CB C 13 38.500 0.050 . 1 . . . A 15 ILE CB . 17751 1 162 . 1 1 15 15 ILE CG1 C 13 31.800 0.050 . 1 . . . A 15 ILE CG1 . 17751 1 163 . 1 1 15 15 ILE CG2 C 13 16.700 0.050 . 1 . . . A 15 ILE CG2 . 17751 1 164 . 1 1 15 15 ILE CD1 C 13 13.500 0.050 . 1 . . . A 15 ILE CD1 . 17751 1 165 . 1 1 15 15 ILE N N 15 121.700 0.050 . 1 . . . A 15 ILE N . 17751 1 166 . 1 1 16 16 LYS H H 1 7.850 0.020 . 1 . . . A 16 LYS H . 17751 1 167 . 1 1 16 16 LYS HA H 1 3.890 0.020 . 1 . . . A 16 LYS HA . 17751 1 168 . 1 1 16 16 LYS HB2 H 1 1.970 0.020 . 2 . . . A 16 LYS HB2 . 17751 1 169 . 1 1 16 16 LYS HB3 H 1 2.020 0.020 . 2 . . . A 16 LYS HB3 . 17751 1 170 . 1 1 16 16 LYS HG2 H 1 1.610 0.020 . 2 . . . A 16 LYS HG2 . 17751 1 171 . 1 1 16 16 LYS HG3 H 1 1.410 0.020 . 2 . . . A 16 LYS HG3 . 17751 1 172 . 1 1 16 16 LYS HD2 H 1 1.720 0.020 . 2 . . . A 16 LYS HD2 . 17751 1 173 . 1 1 16 16 LYS HD3 H 1 1.720 0.020 . 2 . . . A 16 LYS HD3 . 17751 1 174 . 1 1 16 16 LYS HE2 H 1 2.980 0.020 . 2 . . . A 16 LYS HE2 . 17751 1 175 . 1 1 16 16 LYS HE3 H 1 2.980 0.020 . 2 . . . A 16 LYS HE3 . 17751 1 176 . 1 1 16 16 LYS CA C 13 60.100 0.050 . 1 . . . A 16 LYS CA . 17751 1 177 . 1 1 16 16 LYS CB C 13 32.400 0.050 . 1 . . . A 16 LYS CB . 17751 1 178 . 1 1 16 16 LYS CG C 13 25.000 0.050 . 1 . . . A 16 LYS CG . 17751 1 179 . 1 1 16 16 LYS CD C 13 29.800 0.050 . 1 . . . A 16 LYS CD . 17751 1 180 . 1 1 16 16 LYS CE C 13 41.800 0.050 . 1 . . . A 16 LYS CE . 17751 1 181 . 1 1 16 16 LYS N N 15 119.100 0.050 . 1 . . . A 16 LYS N . 17751 1 182 . 1 1 17 17 ILE H H 1 7.510 0.020 . 1 . . . A 17 ILE H . 17751 1 183 . 1 1 17 17 ILE HA H 1 3.800 0.020 . 1 . . . A 17 ILE HA . 17751 1 184 . 1 1 17 17 ILE HB H 1 1.900 0.020 . 1 . . . A 17 ILE HB . 17751 1 185 . 1 1 17 17 ILE HG12 H 1 1.670 0.020 . 2 . . . A 17 ILE HG12 . 17751 1 186 . 1 1 17 17 ILE HG13 H 1 1.320 0.020 . 2 . . . A 17 ILE HG13 . 17751 1 187 . 1 1 17 17 ILE HG21 H 1 0.870 0.020 . 1 . . . A 17 ILE HG21 . 17751 1 188 . 1 1 17 17 ILE HG22 H 1 0.870 0.020 . 1 . . . A 17 ILE HG22 . 17751 1 189 . 1 1 17 17 ILE HG23 H 1 0.870 0.020 . 1 . . . A 17 ILE HG23 . 17751 1 190 . 1 1 17 17 ILE HD11 H 1 0.810 0.020 . 1 . . . A 17 ILE HD11 . 17751 1 191 . 1 1 17 17 ILE HD12 H 1 0.810 0.020 . 1 . . . A 17 ILE HD12 . 17751 1 192 . 1 1 17 17 ILE HD13 H 1 0.810 0.020 . 1 . . . A 17 ILE HD13 . 17751 1 193 . 1 1 17 17 ILE CA C 13 64.000 0.050 . 1 . . . A 17 ILE CA . 17751 1 194 . 1 1 17 17 ILE CB C 13 37.700 0.050 . 1 . . . A 17 ILE CB . 17751 1 195 . 1 1 17 17 ILE CG1 C 13 27.800 0.050 . 1 . . . A 17 ILE CG1 . 17751 1 196 . 1 1 17 17 ILE CG2 C 13 19.400 0.050 . 1 . . . A 17 ILE CG2 . 17751 1 197 . 1 1 17 17 ILE CD1 C 13 13.400 0.050 . 1 . . . A 17 ILE CD1 . 17751 1 198 . 1 1 17 17 ILE N N 15 119.200 0.050 . 1 . . . A 17 ILE N . 17751 1 199 . 1 1 18 18 LEU H H 1 8.290 0.020 . 1 . . . A 18 LEU H . 17751 1 200 . 1 1 18 18 LEU HA H 1 3.750 0.020 . 1 . . . A 18 LEU HA . 17751 1 201 . 1 1 18 18 LEU HB2 H 1 1.000 0.020 . 2 . . . A 18 LEU HB2 . 17751 1 202 . 1 1 18 18 LEU HB3 H 1 1.910 0.020 . 2 . . . A 18 LEU HB3 . 17751 1 203 . 1 1 18 18 LEU HG H 1 1.510 0.020 . 1 . . . A 18 LEU HG . 17751 1 204 . 1 1 18 18 LEU HD11 H 1 0.170 0.020 . 2 . . . A 18 LEU HD11 . 17751 1 205 . 1 1 18 18 LEU HD12 H 1 0.170 0.020 . 2 . . . A 18 LEU HD12 . 17751 1 206 . 1 1 18 18 LEU HD13 H 1 0.170 0.020 . 2 . . . A 18 LEU HD13 . 17751 1 207 . 1 1 18 18 LEU HD21 H 1 0.190 0.020 . 2 . . . A 18 LEU HD21 . 17751 1 208 . 1 1 18 18 LEU HD22 H 1 0.190 0.020 . 2 . . . A 18 LEU HD22 . 17751 1 209 . 1 1 18 18 LEU HD23 H 1 0.190 0.020 . 2 . . . A 18 LEU HD23 . 17751 1 210 . 1 1 18 18 LEU CA C 13 58.200 0.050 . 1 . . . A 18 LEU CA . 17751 1 211 . 1 1 18 18 LEU CB C 13 42.100 0.050 . 1 . . . A 18 LEU CB . 17751 1 212 . 1 1 18 18 LEU CG C 13 26.300 0.050 . 1 . . . A 18 LEU CG . 17751 1 213 . 1 1 18 18 LEU CD1 C 13 25.900 0.050 . 1 . . . A 18 LEU CD1 . 17751 1 214 . 1 1 18 18 LEU CD2 C 13 22.400 0.050 . 1 . . . A 18 LEU CD2 . 17751 1 215 . 1 1 18 18 LEU N N 15 120.600 0.050 . 1 . . . A 18 LEU N . 17751 1 216 . 1 1 19 19 LYS H H 1 8.390 0.020 . 1 . . . A 19 LYS H . 17751 1 217 . 1 1 19 19 LYS HA H 1 3.860 0.020 . 1 . . . A 19 LYS HA . 17751 1 218 . 1 1 19 19 LYS HB2 H 1 1.910 0.020 . 2 . . . A 19 LYS HB2 . 17751 1 219 . 1 1 19 19 LYS HB3 H 1 1.820 0.020 . 2 . . . A 19 LYS HB3 . 17751 1 220 . 1 1 19 19 LYS HG2 H 1 1.770 0.020 . 2 . . . A 19 LYS HG2 . 17751 1 221 . 1 1 19 19 LYS HG3 H 1 1.320 0.020 . 2 . . . A 19 LYS HG3 . 17751 1 222 . 1 1 19 19 LYS HD2 H 1 1.660 0.020 . 2 . . . A 19 LYS HD2 . 17751 1 223 . 1 1 19 19 LYS HD3 H 1 1.660 0.020 . 2 . . . A 19 LYS HD3 . 17751 1 224 . 1 1 19 19 LYS HE2 H 1 2.910 0.020 . 2 . . . A 19 LYS HE2 . 17751 1 225 . 1 1 19 19 LYS HE3 H 1 2.910 0.020 . 2 . . . A 19 LYS HE3 . 17751 1 226 . 1 1 19 19 LYS CA C 13 60.500 0.050 . 1 . . . A 19 LYS CA . 17751 1 227 . 1 1 19 19 LYS CB C 13 32.500 0.050 . 1 . . . A 19 LYS CB . 17751 1 228 . 1 1 19 19 LYS CG C 13 27.300 0.050 . 1 . . . A 19 LYS CG . 17751 1 229 . 1 1 19 19 LYS CD C 13 29.800 0.050 . 1 . . . A 19 LYS CD . 17751 1 230 . 1 1 19 19 LYS CE C 13 41.800 0.050 . 1 . . . A 19 LYS CE . 17751 1 231 . 1 1 19 19 LYS N N 15 116.700 0.050 . 1 . . . A 19 LYS N . 17751 1 232 . 1 1 20 20 GLU H H 1 7.600 0.020 . 1 . . . A 20 GLU H . 17751 1 233 . 1 1 20 20 GLU HA H 1 4.140 0.020 . 1 . . . A 20 GLU HA . 17751 1 234 . 1 1 20 20 GLU HB2 H 1 2.260 0.020 . 2 . . . A 20 GLU HB2 . 17751 1 235 . 1 1 20 20 GLU HB3 H 1 2.260 0.020 . 2 . . . A 20 GLU HB3 . 17751 1 236 . 1 1 20 20 GLU HG2 H 1 2.310 0.020 . 2 . . . A 20 GLU HG2 . 17751 1 237 . 1 1 20 20 GLU HG3 H 1 2.380 0.020 . 2 . . . A 20 GLU HG3 . 17751 1 238 . 1 1 20 20 GLU CA C 13 59.200 0.050 . 1 . . . A 20 GLU CA . 17751 1 239 . 1 1 20 20 GLU CB C 13 29.200 0.050 . 1 . . . A 20 GLU CB . 17751 1 240 . 1 1 20 20 GLU CG C 13 35.900 0.050 . 1 . . . A 20 GLU CG . 17751 1 241 . 1 1 20 20 GLU N N 15 122.000 0.050 . 1 . . . A 20 GLU N . 17751 1 242 . 1 1 21 21 VAL H H 1 8.540 0.020 . 1 . . . A 21 VAL H . 17751 1 243 . 1 1 21 21 VAL HA H 1 3.390 0.020 . 1 . . . A 21 VAL HA . 17751 1 244 . 1 1 21 21 VAL HB H 1 2.410 0.020 . 1 . . . A 21 VAL HB . 17751 1 245 . 1 1 21 21 VAL HG11 H 1 0.950 0.020 . 2 . . . A 21 VAL HG11 . 17751 1 246 . 1 1 21 21 VAL HG12 H 1 0.950 0.020 . 2 . . . A 21 VAL HG12 . 17751 1 247 . 1 1 21 21 VAL HG13 H 1 0.950 0.020 . 2 . . . A 21 VAL HG13 . 17751 1 248 . 1 1 21 21 VAL HG21 H 1 1.090 0.020 . 2 . . . A 21 VAL HG21 . 17751 1 249 . 1 1 21 21 VAL HG22 H 1 1.090 0.020 . 2 . . . A 21 VAL HG22 . 17751 1 250 . 1 1 21 21 VAL HG23 H 1 1.090 0.020 . 2 . . . A 21 VAL HG23 . 17751 1 251 . 1 1 21 21 VAL CA C 13 67.000 0.050 . 1 . . . A 21 VAL CA . 17751 1 252 . 1 1 21 21 VAL CB C 13 30.700 0.050 . 1 . . . A 21 VAL CB . 17751 1 253 . 1 1 21 21 VAL CG1 C 13 22.600 0.050 . 1 . . . A 21 VAL CG1 . 17751 1 254 . 1 1 21 21 VAL CG2 C 13 24.700 0.050 . 1 . . . A 21 VAL CG2 . 17751 1 255 . 1 1 21 21 VAL N N 15 120.900 0.050 . 1 . . . A 21 VAL N . 17751 1 256 . 1 1 22 22 LEU H H 1 8.120 0.020 . 1 . . . A 22 LEU H . 17751 1 257 . 1 1 22 22 LEU HA H 1 3.930 0.020 . 1 . . . A 22 LEU HA . 17751 1 258 . 1 1 22 22 LEU HB2 H 1 1.720 0.020 . 2 . . . A 22 LEU HB2 . 17751 1 259 . 1 1 22 22 LEU HB3 H 1 1.720 0.020 . 2 . . . A 22 LEU HB3 . 17751 1 260 . 1 1 22 22 LEU HG H 1 1.680 0.020 . 1 . . . A 22 LEU HG . 17751 1 261 . 1 1 22 22 LEU HD11 H 1 0.880 0.020 . 2 . . . A 22 LEU HD11 . 17751 1 262 . 1 1 22 22 LEU HD12 H 1 0.880 0.020 . 2 . . . A 22 LEU HD12 . 17751 1 263 . 1 1 22 22 LEU HD13 H 1 0.880 0.020 . 2 . . . A 22 LEU HD13 . 17751 1 264 . 1 1 22 22 LEU HD21 H 1 0.840 0.020 . 2 . . . A 22 LEU HD21 . 17751 1 265 . 1 1 22 22 LEU HD22 H 1 0.840 0.020 . 2 . . . A 22 LEU HD22 . 17751 1 266 . 1 1 22 22 LEU HD23 H 1 0.840 0.020 . 2 . . . A 22 LEU HD23 . 17751 1 267 . 1 1 22 22 LEU CA C 13 58.400 0.050 . 1 . . . A 22 LEU CA . 17751 1 268 . 1 1 22 22 LEU CB C 13 41.800 0.050 . 1 . . . A 22 LEU CB . 17751 1 269 . 1 1 22 22 LEU CG C 13 26.800 0.050 . 1 . . . A 22 LEU CG . 17751 1 270 . 1 1 22 22 LEU CD1 C 13 24.900 0.050 . 1 . . . A 22 LEU CD1 . 17751 1 271 . 1 1 22 22 LEU CD2 C 13 25.400 0.050 . 1 . . . A 22 LEU CD2 . 17751 1 272 . 1 1 22 22 LEU N N 15 118.700 0.050 . 1 . . . A 22 LEU N . 17751 1 273 . 1 1 23 23 LYS H H 1 7.400 0.020 . 1 . . . A 23 LYS H . 17751 1 274 . 1 1 23 23 LYS HA H 1 4.080 0.020 . 1 . . . A 23 LYS HA . 17751 1 275 . 1 1 23 23 LYS HB2 H 1 1.990 0.020 . 2 . . . A 23 LYS HB2 . 17751 1 276 . 1 1 23 23 LYS HB3 H 1 1.990 0.020 . 2 . . . A 23 LYS HB3 . 17751 1 277 . 1 1 23 23 LYS HG2 H 1 1.600 0.020 . 2 . . . A 23 LYS HG2 . 17751 1 278 . 1 1 23 23 LYS HG3 H 1 1.420 0.020 . 2 . . . A 23 LYS HG3 . 17751 1 279 . 1 1 23 23 LYS HD2 H 1 1.710 0.020 . 2 . . . A 23 LYS HD2 . 17751 1 280 . 1 1 23 23 LYS HD3 H 1 1.710 0.020 . 2 . . . A 23 LYS HD3 . 17751 1 281 . 1 1 23 23 LYS HE2 H 1 2.980 0.020 . 2 . . . A 23 LYS HE2 . 17751 1 282 . 1 1 23 23 LYS HE3 H 1 2.980 0.020 . 2 . . . A 23 LYS HE3 . 17751 1 283 . 1 1 23 23 LYS CA C 13 59.200 0.050 . 1 . . . A 23 LYS CA . 17751 1 284 . 1 1 23 23 LYS CB C 13 32.800 0.050 . 1 . . . A 23 LYS CB . 17751 1 285 . 1 1 23 23 LYS CG C 13 25.000 0.050 . 1 . . . A 23 LYS CG . 17751 1 286 . 1 1 23 23 LYS CD C 13 29.600 0.050 . 1 . . . A 23 LYS CD . 17751 1 287 . 1 1 23 23 LYS CE C 13 42.100 0.050 . 1 . . . A 23 LYS CE . 17751 1 288 . 1 1 23 23 LYS N N 15 117.900 0.050 . 1 . . . A 23 LYS N . 17751 1 289 . 1 1 24 24 LYS H H 1 8.300 0.020 . 1 . . . A 24 LYS H . 17751 1 290 . 1 1 24 24 LYS HA H 1 4.250 0.020 . 1 . . . A 24 LYS HA . 17751 1 291 . 1 1 24 24 LYS HB2 H 1 1.870 0.020 . 2 . . . A 24 LYS HB2 . 17751 1 292 . 1 1 24 24 LYS HB3 H 1 1.900 0.020 . 2 . . . A 24 LYS HB3 . 17751 1 293 . 1 1 24 24 LYS HG2 H 1 1.520 0.020 . 2 . . . A 24 LYS HG2 . 17751 1 294 . 1 1 24 24 LYS HG3 H 1 1.570 0.020 . 2 . . . A 24 LYS HG3 . 17751 1 295 . 1 1 24 24 LYS HD2 H 1 1.720 0.020 . 2 . . . A 24 LYS HD2 . 17751 1 296 . 1 1 24 24 LYS HD3 H 1 1.720 0.020 . 2 . . . A 24 LYS HD3 . 17751 1 297 . 1 1 24 24 LYS HE2 H 1 2.980 0.020 . 2 . . . A 24 LYS HE2 . 17751 1 298 . 1 1 24 24 LYS HE3 H 1 2.980 0.020 . 2 . . . A 24 LYS HE3 . 17751 1 299 . 1 1 24 24 LYS CA C 13 57.200 0.050 . 1 . . . A 24 LYS CA . 17751 1 300 . 1 1 24 24 LYS CB C 13 32.100 0.050 . 1 . . . A 24 LYS CB . 17751 1 301 . 1 1 24 24 LYS CG C 13 25.500 0.050 . 1 . . . A 24 LYS CG . 17751 1 302 . 1 1 24 24 LYS CD C 13 29.100 0.050 . 1 . . . A 24 LYS CD . 17751 1 303 . 1 1 24 24 LYS CE C 13 42.200 0.050 . 1 . . . A 24 LYS CE . 17751 1 304 . 1 1 24 24 LYS N N 15 117.700 0.050 . 1 . . . A 24 LYS N . 17751 1 305 . 1 1 25 25 ALA H H 1 8.870 0.020 . 1 . . . A 25 ALA H . 17751 1 306 . 1 1 25 25 ALA HA H 1 4.150 0.020 . 1 . . . A 25 ALA HA . 17751 1 307 . 1 1 25 25 ALA HB1 H 1 1.560 0.020 . 1 . . . A 25 ALA HB1 . 17751 1 308 . 1 1 25 25 ALA HB2 H 1 1.560 0.020 . 1 . . . A 25 ALA HB2 . 17751 1 309 . 1 1 25 25 ALA HB3 H 1 1.560 0.020 . 1 . . . A 25 ALA HB3 . 17751 1 310 . 1 1 25 25 ALA CA C 13 55.400 0.050 . 1 . . . A 25 ALA CA . 17751 1 311 . 1 1 25 25 ALA CB C 13 17.600 0.050 . 1 . . . A 25 ALA CB . 17751 1 312 . 1 1 25 25 ALA N N 15 123.700 0.050 . 1 . . . A 25 ALA N . 17751 1 313 . 1 1 26 26 LYS H H 1 7.920 0.020 . 1 . . . A 26 LYS H . 17751 1 314 . 1 1 26 26 LYS HA H 1 4.180 0.020 . 1 . . . A 26 LYS HA . 17751 1 315 . 1 1 26 26 LYS HB2 H 1 1.990 0.020 . 2 . . . A 26 LYS HB2 . 17751 1 316 . 1 1 26 26 LYS HB3 H 1 1.950 0.020 . 2 . . . A 26 LYS HB3 . 17751 1 317 . 1 1 26 26 LYS HG2 H 1 1.500 0.020 . 2 . . . A 26 LYS HG2 . 17751 1 318 . 1 1 26 26 LYS HG3 H 1 1.610 0.020 . 2 . . . A 26 LYS HG3 . 17751 1 319 . 1 1 26 26 LYS HD2 H 1 1.720 0.020 . 2 . . . A 26 LYS HD2 . 17751 1 320 . 1 1 26 26 LYS HD3 H 1 1.720 0.020 . 2 . . . A 26 LYS HD3 . 17751 1 321 . 1 1 26 26 LYS HE2 H 1 2.930 0.020 . 2 . . . A 26 LYS HE2 . 17751 1 322 . 1 1 26 26 LYS HE3 H 1 2.930 0.020 . 2 . . . A 26 LYS HE3 . 17751 1 323 . 1 1 26 26 LYS CA C 13 58.100 0.050 . 1 . . . A 26 LYS CA . 17751 1 324 . 1 1 26 26 LYS CB C 13 32.200 0.050 . 1 . . . A 26 LYS CB . 17751 1 325 . 1 1 26 26 LYS CG C 13 25.100 0.050 . 1 . . . A 26 LYS CG . 17751 1 326 . 1 1 26 26 LYS CD C 13 29.200 0.050 . 1 . . . A 26 LYS CD . 17751 1 327 . 1 1 26 26 LYS CE C 13 41.800 0.050 . 1 . . . A 26 LYS CE . 17751 1 328 . 1 1 26 26 LYS N N 15 116.600 0.050 . 1 . . . A 26 LYS N . 17751 1 329 . 1 1 27 27 GLU H H 1 7.690 0.020 . 1 . . . A 27 GLU H . 17751 1 330 . 1 1 27 27 GLU HA H 1 4.260 0.020 . 1 . . . A 27 GLU HA . 17751 1 331 . 1 1 27 27 GLU HB2 H 1 2.240 0.020 . 2 . . . A 27 GLU HB2 . 17751 1 332 . 1 1 27 27 GLU HB3 H 1 2.150 0.020 . 2 . . . A 27 GLU HB3 . 17751 1 333 . 1 1 27 27 GLU HG2 H 1 2.480 0.020 . 2 . . . A 27 GLU HG2 . 17751 1 334 . 1 1 27 27 GLU HG3 H 1 2.330 0.020 . 2 . . . A 27 GLU HG3 . 17751 1 335 . 1 1 27 27 GLU CA C 13 56.900 0.050 . 1 . . . A 27 GLU CA . 17751 1 336 . 1 1 27 27 GLU CB C 13 30.300 0.050 . 1 . . . A 27 GLU CB . 17751 1 337 . 1 1 27 27 GLU CG C 13 36.000 0.050 . 1 . . . A 27 GLU CG . 17751 1 338 . 1 1 27 27 GLU N N 15 117.100 0.050 . 1 . . . A 27 GLU N . 17751 1 339 . 1 1 28 28 GLY H H 1 7.920 0.020 . 1 . . . A 28 GLY H . 17751 1 340 . 1 1 28 28 GLY HA2 H 1 3.790 0.020 . 2 . . . A 28 GLY HA2 . 17751 1 341 . 1 1 28 28 GLY HA3 H 1 4.010 0.020 . 2 . . . A 28 GLY HA3 . 17751 1 342 . 1 1 28 28 GLY CA C 13 46.200 0.050 . 1 . . . A 28 GLY CA . 17751 1 343 . 1 1 28 28 GLY N N 15 107.000 0.050 . 1 . . . A 28 GLY N . 17751 1 344 . 1 1 29 29 ASP H H 1 8.070 0.020 . 1 . . . A 29 ASP H . 17751 1 345 . 1 1 29 29 ASP HA H 1 4.760 0.020 . 1 . . . A 29 ASP HA . 17751 1 346 . 1 1 29 29 ASP HB2 H 1 2.570 0.020 . 2 . . . A 29 ASP HB2 . 17751 1 347 . 1 1 29 29 ASP HB3 H 1 3.010 0.020 . 2 . . . A 29 ASP HB3 . 17751 1 348 . 1 1 29 29 ASP CA C 13 52.800 0.050 . 1 . . . A 29 ASP CA . 17751 1 349 . 1 1 29 29 ASP CB C 13 40.600 0.050 . 1 . . . A 29 ASP CB . 17751 1 350 . 1 1 29 29 ASP N N 15 119.900 0.050 . 1 . . . A 29 ASP N . 17751 1 351 . 1 1 30 30 GLU H H 1 8.620 0.020 . 1 . . . A 30 GLU H . 17751 1 352 . 1 1 30 30 GLU HA H 1 4.010 0.020 . 1 . . . A 30 GLU HA . 17751 1 353 . 1 1 30 30 GLU HB2 H 1 2.160 0.020 . 2 . . . A 30 GLU HB2 . 17751 1 354 . 1 1 30 30 GLU HB3 H 1 2.090 0.020 . 2 . . . A 30 GLU HB3 . 17751 1 355 . 1 1 30 30 GLU HG2 H 1 2.420 0.020 . 2 . . . A 30 GLU HG2 . 17751 1 356 . 1 1 30 30 GLU HG3 H 1 2.310 0.020 . 2 . . . A 30 GLU HG3 . 17751 1 357 . 1 1 30 30 GLU CA C 13 59.200 0.050 . 1 . . . A 30 GLU CA . 17751 1 358 . 1 1 30 30 GLU CB C 13 29.600 0.050 . 1 . . . A 30 GLU CB . 17751 1 359 . 1 1 30 30 GLU CG C 13 36.200 0.050 . 1 . . . A 30 GLU CG . 17751 1 360 . 1 1 30 30 GLU N N 15 124.700 0.050 . 1 . . . A 30 GLU N . 17751 1 361 . 1 1 31 31 GLN H H 1 8.480 0.020 . 1 . . . A 31 GLN H . 17751 1 362 . 1 1 31 31 GLN HA H 1 4.200 0.020 . 1 . . . A 31 GLN HA . 17751 1 363 . 1 1 31 31 GLN HB2 H 1 2.270 0.020 . 2 . . . A 31 GLN HB2 . 17751 1 364 . 1 1 31 31 GLN HB3 H 1 2.200 0.020 . 2 . . . A 31 GLN HB3 . 17751 1 365 . 1 1 31 31 GLN HG2 H 1 2.530 0.020 . 2 . . . A 31 GLN HG2 . 17751 1 366 . 1 1 31 31 GLN HG3 H 1 2.470 0.020 . 2 . . . A 31 GLN HG3 . 17751 1 367 . 1 1 31 31 GLN HE21 H 1 7.400 0.020 . 2 . . . A 31 GLN HE21 . 17751 1 368 . 1 1 31 31 GLN HE22 H 1 6.820 0.020 . 2 . . . A 31 GLN HE22 . 17751 1 369 . 1 1 31 31 GLN CA C 13 59.000 0.050 . 1 . . . A 31 GLN CA . 17751 1 370 . 1 1 31 31 GLN CB C 13 28.400 0.050 . 1 . . . A 31 GLN CB . 17751 1 371 . 1 1 31 31 GLN CG C 13 34.400 0.050 . 1 . . . A 31 GLN CG . 17751 1 372 . 1 1 31 31 GLN N N 15 119.700 0.050 . 1 . . . A 31 GLN N . 17751 1 373 . 1 1 31 31 GLN NE2 N 15 111.800 0.050 . 1 . . . A 31 GLN NE2 . 17751 1 374 . 1 1 32 32 GLU H H 1 8.090 0.020 . 1 . . . A 32 GLU H . 17751 1 375 . 1 1 32 32 GLU HA H 1 4.410 0.020 . 1 . . . A 32 GLU HA . 17751 1 376 . 1 1 32 32 GLU HB2 H 1 1.970 0.020 . 2 . . . A 32 GLU HB2 . 17751 1 377 . 1 1 32 32 GLU HB3 H 1 2.040 0.020 . 2 . . . A 32 GLU HB3 . 17751 1 378 . 1 1 32 32 GLU HG2 H 1 2.310 0.020 . 2 . . . A 32 GLU HG2 . 17751 1 379 . 1 1 32 32 GLU HG3 H 1 2.310 0.020 . 2 . . . A 32 GLU HG3 . 17751 1 380 . 1 1 32 32 GLU CA C 13 57.900 0.050 . 1 . . . A 32 GLU CA . 17751 1 381 . 1 1 32 32 GLU CB C 13 29.600 0.050 . 1 . . . A 32 GLU CB . 17751 1 382 . 1 1 32 32 GLU CG C 13 35.800 0.050 . 1 . . . A 32 GLU CG . 17751 1 383 . 1 1 32 32 GLU N N 15 121.000 0.050 . 1 . . . A 32 GLU N . 17751 1 384 . 1 1 33 33 LEU H H 1 8.130 0.020 . 1 . . . A 33 LEU H . 17751 1 385 . 1 1 33 33 LEU HA H 1 4.010 0.020 . 1 . . . A 33 LEU HA . 17751 1 386 . 1 1 33 33 LEU HB2 H 1 1.840 0.020 . 2 . . . A 33 LEU HB2 . 17751 1 387 . 1 1 33 33 LEU HB3 H 1 1.420 0.020 . 2 . . . A 33 LEU HB3 . 17751 1 388 . 1 1 33 33 LEU HG H 1 1.750 0.020 . 1 . . . A 33 LEU HG . 17751 1 389 . 1 1 33 33 LEU HD11 H 1 0.830 0.020 . 2 . . . A 33 LEU HD11 . 17751 1 390 . 1 1 33 33 LEU HD12 H 1 0.830 0.020 . 2 . . . A 33 LEU HD12 . 17751 1 391 . 1 1 33 33 LEU HD13 H 1 0.830 0.020 . 2 . . . A 33 LEU HD13 . 17751 1 392 . 1 1 33 33 LEU HD21 H 1 0.860 0.020 . 2 . . . A 33 LEU HD21 . 17751 1 393 . 1 1 33 33 LEU HD22 H 1 0.860 0.020 . 2 . . . A 33 LEU HD22 . 17751 1 394 . 1 1 33 33 LEU HD23 H 1 0.860 0.020 . 2 . . . A 33 LEU HD23 . 17751 1 395 . 1 1 33 33 LEU CA C 13 58.200 0.050 . 1 . . . A 33 LEU CA . 17751 1 396 . 1 1 33 33 LEU CB C 13 41.000 0.050 . 1 . . . A 33 LEU CB . 17751 1 397 . 1 1 33 33 LEU CG C 13 27.000 0.050 . 1 . . . A 33 LEU CG . 17751 1 398 . 1 1 33 33 LEU CD1 C 13 25.300 0.050 . 1 . . . A 33 LEU CD1 . 17751 1 399 . 1 1 33 33 LEU CD2 C 13 23.500 0.050 . 1 . . . A 33 LEU CD2 . 17751 1 400 . 1 1 33 33 LEU N N 15 118.900 0.050 . 1 . . . A 33 LEU N . 17751 1 401 . 1 1 34 34 ALA H H 1 8.010 0.020 . 1 . . . A 34 ALA H . 17751 1 402 . 1 1 34 34 ALA HA H 1 4.190 0.020 . 1 . . . A 34 ALA HA . 17751 1 403 . 1 1 34 34 ALA HB1 H 1 1.560 0.020 . 1 . . . A 34 ALA HB1 . 17751 1 404 . 1 1 34 34 ALA HB2 H 1 1.560 0.020 . 1 . . . A 34 ALA HB2 . 17751 1 405 . 1 1 34 34 ALA HB3 H 1 1.560 0.020 . 1 . . . A 34 ALA HB3 . 17751 1 406 . 1 1 34 34 ALA CA C 13 55.200 0.050 . 1 . . . A 34 ALA CA . 17751 1 407 . 1 1 34 34 ALA CB C 13 17.800 0.050 . 1 . . . A 34 ALA CB . 17751 1 408 . 1 1 34 34 ALA N N 15 121.800 0.050 . 1 . . . A 34 ALA N . 17751 1 409 . 1 1 35 35 ARG H H 1 7.690 0.020 . 1 . . . A 35 ARG H . 17751 1 410 . 1 1 35 35 ARG HA H 1 4.150 0.020 . 1 . . . A 35 ARG HA . 17751 1 411 . 1 1 35 35 ARG HB2 H 1 2.090 0.020 . 2 . . . A 35 ARG HB2 . 17751 1 412 . 1 1 35 35 ARG HB3 H 1 1.980 0.020 . 2 . . . A 35 ARG HB3 . 17751 1 413 . 1 1 35 35 ARG HG2 H 1 1.770 0.020 . 2 . . . A 35 ARG HG2 . 17751 1 414 . 1 1 35 35 ARG HG3 H 1 1.550 0.020 . 2 . . . A 35 ARG HG3 . 17751 1 415 . 1 1 35 35 ARG HD2 H 1 3.370 0.020 . 2 . . . A 35 ARG HD2 . 17751 1 416 . 1 1 35 35 ARG HD3 H 1 3.160 0.020 . 2 . . . A 35 ARG HD3 . 17751 1 417 . 1 1 35 35 ARG CA C 13 59.300 0.050 . 1 . . . A 35 ARG CA . 17751 1 418 . 1 1 35 35 ARG CB C 13 30.100 0.050 . 1 . . . A 35 ARG CB . 17751 1 419 . 1 1 35 35 ARG CG C 13 27.600 0.050 . 1 . . . A 35 ARG CG . 17751 1 420 . 1 1 35 35 ARG CD C 13 43.000 0.050 . 1 . . . A 35 ARG CD . 17751 1 421 . 1 1 35 35 ARG N N 15 120.300 0.050 . 1 . . . A 35 ARG N . 17751 1 422 . 1 1 36 36 LEU H H 1 8.570 0.020 . 1 . . . A 36 LEU H . 17751 1 423 . 1 1 36 36 LEU HA H 1 3.980 0.020 . 1 . . . A 36 LEU HA . 17751 1 424 . 1 1 36 36 LEU HB2 H 1 1.920 0.020 . 2 . . . A 36 LEU HB2 . 17751 1 425 . 1 1 36 36 LEU HB3 H 1 1.330 0.020 . 2 . . . A 36 LEU HB3 . 17751 1 426 . 1 1 36 36 LEU HG H 1 1.830 0.020 . 1 . . . A 36 LEU HG . 17751 1 427 . 1 1 36 36 LEU HD11 H 1 0.830 0.020 . 2 . . . A 36 LEU HD11 . 17751 1 428 . 1 1 36 36 LEU HD12 H 1 0.830 0.020 . 2 . . . A 36 LEU HD12 . 17751 1 429 . 1 1 36 36 LEU HD13 H 1 0.830 0.020 . 2 . . . A 36 LEU HD13 . 17751 1 430 . 1 1 36 36 LEU HD21 H 1 0.910 0.020 . 2 . . . A 36 LEU HD21 . 17751 1 431 . 1 1 36 36 LEU HD22 H 1 0.910 0.020 . 2 . . . A 36 LEU HD22 . 17751 1 432 . 1 1 36 36 LEU HD23 H 1 0.910 0.020 . 2 . . . A 36 LEU HD23 . 17751 1 433 . 1 1 36 36 LEU CA C 13 57.800 0.050 . 1 . . . A 36 LEU CA . 17751 1 434 . 1 1 36 36 LEU CB C 13 41.800 0.050 . 1 . . . A 36 LEU CB . 17751 1 435 . 1 1 36 36 LEU CG C 13 27.500 0.050 . 1 . . . A 36 LEU CG . 17751 1 436 . 1 1 36 36 LEU CD1 C 13 26.000 0.050 . 1 . . . A 36 LEU CD1 . 17751 1 437 . 1 1 36 36 LEU CD2 C 13 22.800 0.050 . 1 . . . A 36 LEU CD2 . 17751 1 438 . 1 1 36 36 LEU N N 15 119.900 0.050 . 1 . . . A 36 LEU N . 17751 1 439 . 1 1 37 37 ASN H H 1 8.610 0.020 . 1 . . . A 37 ASN H . 17751 1 440 . 1 1 37 37 ASN HA H 1 4.530 0.020 . 1 . . . A 37 ASN HA . 17751 1 441 . 1 1 37 37 ASN HB2 H 1 2.940 0.020 . 2 . . . A 37 ASN HB2 . 17751 1 442 . 1 1 37 37 ASN HB3 H 1 3.100 0.020 . 2 . . . A 37 ASN HB3 . 17751 1 443 . 1 1 37 37 ASN HD21 H 1 7.490 0.020 . 2 . . . A 37 ASN HD21 . 17751 1 444 . 1 1 37 37 ASN HD22 H 1 7.720 0.020 . 2 . . . A 37 ASN HD22 . 17751 1 445 . 1 1 37 37 ASN CA C 13 57.800 0.050 . 1 . . . A 37 ASN CA . 17751 1 446 . 1 1 37 37 ASN CB C 13 39.600 0.050 . 1 . . . A 37 ASN CB . 17751 1 447 . 1 1 37 37 ASN N N 15 117.800 0.050 . 1 . . . A 37 ASN N . 17751 1 448 . 1 1 37 37 ASN ND2 N 15 116.200 0.050 . 1 . . . A 37 ASN ND2 . 17751 1 449 . 1 1 38 38 GLN H H 1 7.530 0.020 . 1 . . . A 38 GLN H . 17751 1 450 . 1 1 38 38 GLN HA H 1 4.150 0.020 . 1 . . . A 38 GLN HA . 17751 1 451 . 1 1 38 38 GLN HB2 H 1 2.250 0.020 . 2 . . . A 38 GLN HB2 . 17751 1 452 . 1 1 38 38 GLN HB3 H 1 2.440 0.020 . 2 . . . A 38 GLN HB3 . 17751 1 453 . 1 1 38 38 GLN HG2 H 1 2.640 0.020 . 2 . . . A 38 GLN HG2 . 17751 1 454 . 1 1 38 38 GLN HG3 H 1 2.570 0.020 . 2 . . . A 38 GLN HG3 . 17751 1 455 . 1 1 38 38 GLN HE21 H 1 6.880 0.020 . 2 . . . A 38 GLN HE21 . 17751 1 456 . 1 1 38 38 GLN HE22 H 1 7.720 0.020 . 2 . . . A 38 GLN HE22 . 17751 1 457 . 1 1 38 38 GLN CA C 13 58.700 0.050 . 1 . . . A 38 GLN CA . 17751 1 458 . 1 1 38 38 GLN CB C 13 28.100 0.050 . 1 . . . A 38 GLN CB . 17751 1 459 . 1 1 38 38 GLN CG C 13 33.900 0.050 . 1 . . . A 38 GLN CG . 17751 1 460 . 1 1 38 38 GLN N N 15 116.200 0.050 . 1 . . . A 38 GLN N . 17751 1 461 . 1 1 38 38 GLN NE2 N 15 111.000 0.050 . 1 . . . A 38 GLN NE2 . 17751 1 462 . 1 1 39 39 GLU H H 1 7.910 0.020 . 1 . . . A 39 GLU H . 17751 1 463 . 1 1 39 39 GLU HA H 1 4.130 0.020 . 1 . . . A 39 GLU HA . 17751 1 464 . 1 1 39 39 GLU HB2 H 1 2.230 0.020 . 2 . . . A 39 GLU HB2 . 17751 1 465 . 1 1 39 39 GLU HB3 H 1 2.360 0.020 . 2 . . . A 39 GLU HB3 . 17751 1 466 . 1 1 39 39 GLU HG2 H 1 2.440 0.020 . 2 . . . A 39 GLU HG2 . 17751 1 467 . 1 1 39 39 GLU HG3 H 1 2.440 0.020 . 2 . . . A 39 GLU HG3 . 17751 1 468 . 1 1 39 39 GLU CA C 13 58.900 0.050 . 1 . . . A 39 GLU CA . 17751 1 469 . 1 1 39 39 GLU CB C 13 28.800 0.050 . 1 . . . A 39 GLU CB . 17751 1 470 . 1 1 39 39 GLU CG C 13 35.800 0.050 . 1 . . . A 39 GLU CG . 17751 1 471 . 1 1 39 39 GLU N N 15 119.800 0.050 . 1 . . . A 39 GLU N . 17751 1 472 . 1 1 40 40 ILE H H 1 8.440 0.020 . 1 . . . A 40 ILE H . 17751 1 473 . 1 1 40 40 ILE HA H 1 3.880 0.020 . 1 . . . A 40 ILE HA . 17751 1 474 . 1 1 40 40 ILE HB H 1 1.960 0.020 . 1 . . . A 40 ILE HB . 17751 1 475 . 1 1 40 40 ILE HG12 H 1 0.830 0.020 . 2 . . . A 40 ILE HG12 . 17751 1 476 . 1 1 40 40 ILE HG13 H 1 1.750 0.020 . 2 . . . A 40 ILE HG13 . 17751 1 477 . 1 1 40 40 ILE HG21 H 1 0.430 0.020 . 1 . . . A 40 ILE HG21 . 17751 1 478 . 1 1 40 40 ILE HG22 H 1 0.430 0.020 . 1 . . . A 40 ILE HG22 . 17751 1 479 . 1 1 40 40 ILE HG23 H 1 0.430 0.020 . 1 . . . A 40 ILE HG23 . 17751 1 480 . 1 1 40 40 ILE HD11 H 1 0.690 0.020 . 1 . . . A 40 ILE HD11 . 17751 1 481 . 1 1 40 40 ILE HD12 H 1 0.690 0.020 . 1 . . . A 40 ILE HD12 . 17751 1 482 . 1 1 40 40 ILE HD13 H 1 0.690 0.020 . 1 . . . A 40 ILE HD13 . 17751 1 483 . 1 1 40 40 ILE CA C 13 64.600 0.050 . 1 . . . A 40 ILE CA . 17751 1 484 . 1 1 40 40 ILE CB C 13 37.800 0.050 . 1 . . . A 40 ILE CB . 17751 1 485 . 1 1 40 40 ILE CG1 C 13 29.100 0.050 . 1 . . . A 40 ILE CG1 . 17751 1 486 . 1 1 40 40 ILE CG2 C 13 16.200 0.050 . 1 . . . A 40 ILE CG2 . 17751 1 487 . 1 1 40 40 ILE CD1 C 13 14.400 0.050 . 1 . . . A 40 ILE CD1 . 17751 1 488 . 1 1 40 40 ILE N N 15 122.300 0.050 . 1 . . . A 40 ILE N . 17751 1 489 . 1 1 41 41 VAL H H 1 7.680 0.020 . 1 . . . A 41 VAL H . 17751 1 490 . 1 1 41 41 VAL HA H 1 3.350 0.020 . 1 . . . A 41 VAL HA . 17751 1 491 . 1 1 41 41 VAL HB H 1 2.280 0.020 . 1 . . . A 41 VAL HB . 17751 1 492 . 1 1 41 41 VAL HG11 H 1 1.030 0.020 . 2 . . . A 41 VAL HG11 . 17751 1 493 . 1 1 41 41 VAL HG12 H 1 1.030 0.020 . 2 . . . A 41 VAL HG12 . 17751 1 494 . 1 1 41 41 VAL HG13 H 1 1.030 0.020 . 2 . . . A 41 VAL HG13 . 17751 1 495 . 1 1 41 41 VAL HG21 H 1 1.160 0.020 . 2 . . . A 41 VAL HG21 . 17751 1 496 . 1 1 41 41 VAL HG22 H 1 1.160 0.020 . 2 . . . A 41 VAL HG22 . 17751 1 497 . 1 1 41 41 VAL HG23 H 1 1.160 0.020 . 2 . . . A 41 VAL HG23 . 17751 1 498 . 1 1 41 41 VAL CA C 13 68.500 0.050 . 1 . . . A 41 VAL CA . 17751 1 499 . 1 1 41 41 VAL CB C 13 31.600 0.050 . 1 . . . A 41 VAL CB . 17751 1 500 . 1 1 41 41 VAL CG1 C 13 21.700 0.050 . 1 . . . A 41 VAL CG1 . 17751 1 501 . 1 1 41 41 VAL CG2 C 13 24.200 0.050 . 1 . . . A 41 VAL CG2 . 17751 1 502 . 1 1 41 41 VAL N N 15 119.600 0.050 . 1 . . . A 41 VAL N . 17751 1 503 . 1 1 42 42 LYS H H 1 7.750 0.020 . 1 . . . A 42 LYS H . 17751 1 504 . 1 1 42 42 LYS HA H 1 3.930 0.020 . 1 . . . A 42 LYS HA . 17751 1 505 . 1 1 42 42 LYS HB2 H 1 1.940 0.020 . 2 . . . A 42 LYS HB2 . 17751 1 506 . 1 1 42 42 LYS HB3 H 1 1.940 0.020 . 2 . . . A 42 LYS HB3 . 17751 1 507 . 1 1 42 42 LYS HG2 H 1 1.660 0.020 . 2 . . . A 42 LYS HG2 . 17751 1 508 . 1 1 42 42 LYS HG3 H 1 1.460 0.020 . 2 . . . A 42 LYS HG3 . 17751 1 509 . 1 1 42 42 LYS HD2 H 1 1.730 0.020 . 2 . . . A 42 LYS HD2 . 17751 1 510 . 1 1 42 42 LYS HD3 H 1 1.730 0.020 . 2 . . . A 42 LYS HD3 . 17751 1 511 . 1 1 42 42 LYS HE2 H 1 2.970 0.020 . 2 . . . A 42 LYS HE2 . 17751 1 512 . 1 1 42 42 LYS HE3 H 1 2.970 0.020 . 2 . . . A 42 LYS HE3 . 17751 1 513 . 1 1 42 42 LYS CA C 13 60.100 0.050 . 1 . . . A 42 LYS CA . 17751 1 514 . 1 1 42 42 LYS CB C 13 32.800 0.050 . 1 . . . A 42 LYS CB . 17751 1 515 . 1 1 42 42 LYS CG C 13 25.300 0.050 . 1 . . . A 42 LYS CG . 17751 1 516 . 1 1 42 42 LYS CD C 13 29.600 0.050 . 1 . . . A 42 LYS CD . 17751 1 517 . 1 1 42 42 LYS CE C 13 41.800 0.050 . 1 . . . A 42 LYS CE . 17751 1 518 . 1 1 42 42 LYS N N 15 117.200 0.050 . 1 . . . A 42 LYS N . 17751 1 519 . 1 1 43 43 ALA H H 1 8.310 0.020 . 1 . . . A 43 ALA H . 17751 1 520 . 1 1 43 43 ALA HA H 1 4.180 0.020 . 1 . . . A 43 ALA HA . 17751 1 521 . 1 1 43 43 ALA HB1 H 1 1.550 0.020 . 1 . . . A 43 ALA HB1 . 17751 1 522 . 1 1 43 43 ALA HB2 H 1 1.550 0.020 . 1 . . . A 43 ALA HB2 . 17751 1 523 . 1 1 43 43 ALA HB3 H 1 1.550 0.020 . 1 . . . A 43 ALA HB3 . 17751 1 524 . 1 1 43 43 ALA CA C 13 55.200 0.050 . 1 . . . A 43 ALA CA . 17751 1 525 . 1 1 43 43 ALA CB C 13 17.600 0.050 . 1 . . . A 43 ALA CB . 17751 1 526 . 1 1 43 43 ALA N N 15 122.600 0.050 . 1 . . . A 43 ALA N . 17751 1 527 . 1 1 44 44 GLU H H 1 8.970 0.020 . 1 . . . A 44 GLU H . 17751 1 528 . 1 1 44 44 GLU HA H 1 4.440 0.020 . 1 . . . A 44 GLU HA . 17751 1 529 . 1 1 44 44 GLU HB2 H 1 2.460 0.020 . 2 . . . A 44 GLU HB2 . 17751 1 530 . 1 1 44 44 GLU HB3 H 1 2.080 0.020 . 2 . . . A 44 GLU HB3 . 17751 1 531 . 1 1 44 44 GLU HG2 H 1 2.920 0.020 . 2 . . . A 44 GLU HG2 . 17751 1 532 . 1 1 44 44 GLU HG3 H 1 2.230 0.020 . 2 . . . A 44 GLU HG3 . 17751 1 533 . 1 1 44 44 GLU CA C 13 59.000 0.050 . 1 . . . A 44 GLU CA . 17751 1 534 . 1 1 44 44 GLU CB C 13 29.200 0.050 . 1 . . . A 44 GLU CB . 17751 1 535 . 1 1 44 44 GLU CG C 13 34.000 0.050 . 1 . . . A 44 GLU CG . 17751 1 536 . 1 1 44 44 GLU N N 15 119.100 0.050 . 1 . . . A 44 GLU N . 17751 1 537 . 1 1 45 45 LYS H H 1 8.570 0.020 . 1 . . . A 45 LYS H . 17751 1 538 . 1 1 45 45 LYS HA H 1 3.940 0.020 . 1 . . . A 45 LYS HA . 17751 1 539 . 1 1 45 45 LYS HB2 H 1 2.030 0.020 . 2 . . . A 45 LYS HB2 . 17751 1 540 . 1 1 45 45 LYS HB3 H 1 1.900 0.020 . 2 . . . A 45 LYS HB3 . 17751 1 541 . 1 1 45 45 LYS HG2 H 1 1.860 0.020 . 2 . . . A 45 LYS HG2 . 17751 1 542 . 1 1 45 45 LYS HG3 H 1 1.520 0.020 . 2 . . . A 45 LYS HG3 . 17751 1 543 . 1 1 45 45 LYS HD2 H 1 1.970 0.020 . 2 . . . A 45 LYS HD2 . 17751 1 544 . 1 1 45 45 LYS HD3 H 1 1.690 0.020 . 2 . . . A 45 LYS HD3 . 17751 1 545 . 1 1 45 45 LYS HE2 H 1 2.930 0.020 . 2 . . . A 45 LYS HE2 . 17751 1 546 . 1 1 45 45 LYS HE3 H 1 2.930 0.020 . 2 . . . A 45 LYS HE3 . 17751 1 547 . 1 1 45 45 LYS CA C 13 60.400 0.050 . 1 . . . A 45 LYS CA . 17751 1 548 . 1 1 45 45 LYS CB C 13 32.600 0.050 . 1 . . . A 45 LYS CB . 17751 1 549 . 1 1 45 45 LYS CG C 13 26.600 0.050 . 1 . . . A 45 LYS CG . 17751 1 550 . 1 1 45 45 LYS CD C 13 30.100 0.050 . 1 . . . A 45 LYS CD . 17751 1 551 . 1 1 45 45 LYS CE C 13 41.800 0.050 . 1 . . . A 45 LYS CE . 17751 1 552 . 1 1 45 45 LYS N N 15 118.800 0.050 . 1 . . . A 45 LYS N . 17751 1 553 . 1 1 46 46 GLN H H 1 7.850 0.020 . 1 . . . A 46 GLN H . 17751 1 554 . 1 1 46 46 GLN HA H 1 4.220 0.020 . 1 . . . A 46 GLN HA . 17751 1 555 . 1 1 46 46 GLN HB2 H 1 2.290 0.020 . 2 . . . A 46 GLN HB2 . 17751 1 556 . 1 1 46 46 GLN HB3 H 1 2.200 0.020 . 2 . . . A 46 GLN HB3 . 17751 1 557 . 1 1 46 46 GLN HG2 H 1 2.410 0.020 . 2 . . . A 46 GLN HG2 . 17751 1 558 . 1 1 46 46 GLN HG3 H 1 2.610 0.020 . 2 . . . A 46 GLN HG3 . 17751 1 559 . 1 1 46 46 GLN HE21 H 1 6.910 0.020 . 2 . . . A 46 GLN HE21 . 17751 1 560 . 1 1 46 46 GLN HE22 H 1 7.350 0.020 . 2 . . . A 46 GLN HE22 . 17751 1 561 . 1 1 46 46 GLN CA C 13 58.500 0.050 . 1 . . . A 46 GLN CA . 17751 1 562 . 1 1 46 46 GLN CB C 13 27.400 0.050 . 1 . . . A 46 GLN CB . 17751 1 563 . 1 1 46 46 GLN CG C 13 33.300 0.050 . 1 . . . A 46 GLN CG . 17751 1 564 . 1 1 46 46 GLN N N 15 120.500 0.050 . 1 . . . A 46 GLN N . 17751 1 565 . 1 1 46 46 GLN NE2 N 15 111.000 0.050 . 1 . . . A 46 GLN NE2 . 17751 1 566 . 1 1 47 47 GLY H H 1 8.210 0.020 . 1 . . . A 47 GLY H . 17751 1 567 . 1 1 47 47 GLY HA2 H 1 3.660 0.020 . 2 . . . A 47 GLY HA2 . 17751 1 568 . 1 1 47 47 GLY HA3 H 1 4.480 0.020 . 2 . . . A 47 GLY HA3 . 17751 1 569 . 1 1 47 47 GLY CA C 13 47.200 0.050 . 1 . . . A 47 GLY CA . 17751 1 570 . 1 1 47 47 GLY N N 15 107.400 0.050 . 1 . . . A 47 GLY N . 17751 1 571 . 1 1 48 48 VAL H H 1 8.770 0.020 . 1 . . . A 48 VAL H . 17751 1 572 . 1 1 48 48 VAL HA H 1 3.690 0.020 . 1 . . . A 48 VAL HA . 17751 1 573 . 1 1 48 48 VAL HB H 1 2.200 0.020 . 1 . . . A 48 VAL HB . 17751 1 574 . 1 1 48 48 VAL HG11 H 1 0.980 0.020 . 2 . . . A 48 VAL HG11 . 17751 1 575 . 1 1 48 48 VAL HG12 H 1 0.980 0.020 . 2 . . . A 48 VAL HG12 . 17751 1 576 . 1 1 48 48 VAL HG13 H 1 0.980 0.020 . 2 . . . A 48 VAL HG13 . 17751 1 577 . 1 1 48 48 VAL HG21 H 1 1.120 0.020 . 2 . . . A 48 VAL HG21 . 17751 1 578 . 1 1 48 48 VAL HG22 H 1 1.120 0.020 . 2 . . . A 48 VAL HG22 . 17751 1 579 . 1 1 48 48 VAL HG23 H 1 1.120 0.020 . 2 . . . A 48 VAL HG23 . 17751 1 580 . 1 1 48 48 VAL CA C 13 67.400 0.050 . 1 . . . A 48 VAL CA . 17751 1 581 . 1 1 48 48 VAL CB C 13 31.700 0.050 . 1 . . . A 48 VAL CB . 17751 1 582 . 1 1 48 48 VAL CG1 C 13 21.200 0.050 . 1 . . . A 48 VAL CG1 . 17751 1 583 . 1 1 48 48 VAL CG2 C 13 24.800 0.050 . 1 . . . A 48 VAL CG2 . 17751 1 584 . 1 1 48 48 VAL N N 15 121.500 0.050 . 1 . . . A 48 VAL N . 17751 1 585 . 1 1 49 49 LYS H H 1 7.500 0.020 . 1 . . . A 49 LYS H . 17751 1 586 . 1 1 49 49 LYS HA H 1 3.990 0.020 . 1 . . . A 49 LYS HA . 17751 1 587 . 1 1 49 49 LYS HB2 H 1 2.090 0.020 . 2 . . . A 49 LYS HB2 . 17751 1 588 . 1 1 49 49 LYS HB3 H 1 2.000 0.020 . 2 . . . A 49 LYS HB3 . 17751 1 589 . 1 1 49 49 LYS HG2 H 1 1.610 0.020 . 2 . . . A 49 LYS HG2 . 17751 1 590 . 1 1 49 49 LYS HG3 H 1 1.390 0.020 . 2 . . . A 49 LYS HG3 . 17751 1 591 . 1 1 49 49 LYS HD2 H 1 1.720 0.020 . 2 . . . A 49 LYS HD2 . 17751 1 592 . 1 1 49 49 LYS HD3 H 1 1.720 0.020 . 2 . . . A 49 LYS HD3 . 17751 1 593 . 1 1 49 49 LYS HE2 H 1 2.990 0.020 . 2 . . . A 49 LYS HE2 . 17751 1 594 . 1 1 49 49 LYS HE3 H 1 2.990 0.020 . 2 . . . A 49 LYS HE3 . 17751 1 595 . 1 1 49 49 LYS CA C 13 60.300 0.050 . 1 . . . A 49 LYS CA . 17751 1 596 . 1 1 49 49 LYS CB C 13 32.500 0.050 . 1 . . . A 49 LYS CB . 17751 1 597 . 1 1 49 49 LYS CG C 13 24.900 0.050 . 1 . . . A 49 LYS CG . 17751 1 598 . 1 1 49 49 LYS CD C 13 29.600 0.050 . 1 . . . A 49 LYS CD . 17751 1 599 . 1 1 49 49 LYS CE C 13 41.800 0.050 . 1 . . . A 49 LYS CE . 17751 1 600 . 1 1 49 49 LYS N N 15 117.700 0.050 . 1 . . . A 49 LYS N . 17751 1 601 . 1 1 50 50 VAL H H 1 7.740 0.020 . 1 . . . A 50 VAL H . 17751 1 602 . 1 1 50 50 VAL HA H 1 4.080 0.020 . 1 . . . A 50 VAL HA . 17751 1 603 . 1 1 50 50 VAL HB H 1 2.070 0.020 . 1 . . . A 50 VAL HB . 17751 1 604 . 1 1 50 50 VAL HG11 H 1 0.970 0.020 . 2 . . . A 50 VAL HG11 . 17751 1 605 . 1 1 50 50 VAL HG12 H 1 0.970 0.020 . 2 . . . A 50 VAL HG12 . 17751 1 606 . 1 1 50 50 VAL HG13 H 1 0.970 0.020 . 2 . . . A 50 VAL HG13 . 17751 1 607 . 1 1 50 50 VAL HG21 H 1 1.080 0.020 . 2 . . . A 50 VAL HG21 . 17751 1 608 . 1 1 50 50 VAL HG22 H 1 1.080 0.020 . 2 . . . A 50 VAL HG22 . 17751 1 609 . 1 1 50 50 VAL HG23 H 1 1.080 0.020 . 2 . . . A 50 VAL HG23 . 17751 1 610 . 1 1 50 50 VAL CA C 13 65.100 0.050 . 1 . . . A 50 VAL CA . 17751 1 611 . 1 1 50 50 VAL CB C 13 31.100 0.050 . 1 . . . A 50 VAL CB . 17751 1 612 . 1 1 50 50 VAL CG1 C 13 23.200 0.050 . 1 . . . A 50 VAL CG1 . 17751 1 613 . 1 1 50 50 VAL CG2 C 13 21.100 0.050 . 1 . . . A 50 VAL CG2 . 17751 1 614 . 1 1 50 50 VAL N N 15 115.300 0.050 . 1 . . . A 50 VAL N . 17751 1 615 . 1 1 51 51 TYR H H 1 9.280 0.020 . 1 . . . A 51 TYR H . 17751 1 616 . 1 1 51 51 TYR HA H 1 4.200 0.020 . 1 . . . A 51 TYR HA . 17751 1 617 . 1 1 51 51 TYR HB2 H 1 3.100 0.020 . 2 . . . A 51 TYR HB2 . 17751 1 618 . 1 1 51 51 TYR HB3 H 1 2.830 0.020 . 2 . . . A 51 TYR HB3 . 17751 1 619 . 1 1 51 51 TYR HD1 H 1 7.000 0.020 . 3 . . . A 51 TYR HD1 . 17751 1 620 . 1 1 51 51 TYR HD2 H 1 7.000 0.020 . 3 . . . A 51 TYR HD2 . 17751 1 621 . 1 1 51 51 TYR HE1 H 1 6.670 0.020 . 3 . . . A 51 TYR HE1 . 17751 1 622 . 1 1 51 51 TYR HE2 H 1 6.670 0.020 . 3 . . . A 51 TYR HE2 . 17751 1 623 . 1 1 51 51 TYR CA C 13 63.900 0.050 . 1 . . . A 51 TYR CA . 17751 1 624 . 1 1 51 51 TYR CB C 13 38.200 0.050 . 1 . . . A 51 TYR CB . 17751 1 625 . 1 1 51 51 TYR CD2 C 13 132.200 0.050 . 1 . . . A 51 TYR CD2 . 17751 1 626 . 1 1 51 51 TYR CE2 C 13 118.600 0.050 . 1 . . . A 51 TYR CE2 . 17751 1 627 . 1 1 51 51 TYR N N 15 123.500 0.050 . 1 . . . A 51 TYR N . 17751 1 628 . 1 1 52 52 LYS H H 1 8.780 0.020 . 1 . . . A 52 LYS H . 17751 1 629 . 1 1 52 52 LYS HA H 1 3.990 0.020 . 1 . . . A 52 LYS HA . 17751 1 630 . 1 1 52 52 LYS HB2 H 1 1.890 0.020 . 2 . . . A 52 LYS HB2 . 17751 1 631 . 1 1 52 52 LYS HB3 H 1 2.010 0.020 . 2 . . . A 52 LYS HB3 . 17751 1 632 . 1 1 52 52 LYS HG2 H 1 1.450 0.020 . 2 . . . A 52 LYS HG2 . 17751 1 633 . 1 1 52 52 LYS HG3 H 1 1.810 0.020 . 2 . . . A 52 LYS HG3 . 17751 1 634 . 1 1 52 52 LYS HD2 H 1 1.670 0.020 . 2 . . . A 52 LYS HD2 . 17751 1 635 . 1 1 52 52 LYS HD3 H 1 1.670 0.020 . 2 . . . A 52 LYS HD3 . 17751 1 636 . 1 1 52 52 LYS HE2 H 1 2.930 0.020 . 2 . . . A 52 LYS HE2 . 17751 1 637 . 1 1 52 52 LYS HE3 H 1 2.930 0.020 . 2 . . . A 52 LYS HE3 . 17751 1 638 . 1 1 52 52 LYS CA C 13 60.500 0.050 . 1 . . . A 52 LYS CA . 17751 1 639 . 1 1 52 52 LYS CB C 13 32.300 0.050 . 1 . . . A 52 LYS CB . 17751 1 640 . 1 1 52 52 LYS CG C 13 26.900 0.050 . 1 . . . A 52 LYS CG . 17751 1 641 . 1 1 52 52 LYS CD C 13 29.700 0.050 . 1 . . . A 52 LYS CD . 17751 1 642 . 1 1 52 52 LYS CE C 13 42.100 0.050 . 1 . . . A 52 LYS CE . 17751 1 643 . 1 1 52 52 LYS N N 15 118.900 0.050 . 1 . . . A 52 LYS N . 17751 1 644 . 1 1 53 53 GLU H H 1 7.380 0.020 . 1 . . . A 53 GLU H . 17751 1 645 . 1 1 53 53 GLU HA H 1 4.130 0.020 . 1 . . . A 53 GLU HA . 17751 1 646 . 1 1 53 53 GLU HB2 H 1 2.180 0.020 . 2 . . . A 53 GLU HB2 . 17751 1 647 . 1 1 53 53 GLU HB3 H 1 2.250 0.020 . 2 . . . A 53 GLU HB3 . 17751 1 648 . 1 1 53 53 GLU HG2 H 1 2.300 0.020 . 2 . . . A 53 GLU HG2 . 17751 1 649 . 1 1 53 53 GLU HG3 H 1 2.550 0.020 . 2 . . . A 53 GLU HG3 . 17751 1 650 . 1 1 53 53 GLU CA C 13 58.900 0.050 . 1 . . . A 53 GLU CA . 17751 1 651 . 1 1 53 53 GLU CB C 13 29.300 0.050 . 1 . . . A 53 GLU CB . 17751 1 652 . 1 1 53 53 GLU CG C 13 35.400 0.050 . 1 . . . A 53 GLU CG . 17751 1 653 . 1 1 53 53 GLU N N 15 119.300 0.050 . 1 . . . A 53 GLU N . 17751 1 654 . 1 1 54 54 ALA H H 1 8.290 0.020 . 1 . . . A 54 ALA H . 17751 1 655 . 1 1 54 54 ALA HA H 1 4.080 0.020 . 1 . . . A 54 ALA HA . 17751 1 656 . 1 1 54 54 ALA HB1 H 1 1.550 0.020 . 1 . . . A 54 ALA HB1 . 17751 1 657 . 1 1 54 54 ALA HB2 H 1 1.550 0.020 . 1 . . . A 54 ALA HB2 . 17751 1 658 . 1 1 54 54 ALA HB3 H 1 1.550 0.020 . 1 . . . A 54 ALA HB3 . 17751 1 659 . 1 1 54 54 ALA CA C 13 54.800 0.050 . 1 . . . A 54 ALA CA . 17751 1 660 . 1 1 54 54 ALA CB C 13 18.200 0.050 . 1 . . . A 54 ALA CB . 17751 1 661 . 1 1 54 54 ALA N N 15 121.800 0.050 . 1 . . . A 54 ALA N . 17751 1 662 . 1 1 55 55 ALA H H 1 8.920 0.020 . 1 . . . A 55 ALA H . 17751 1 663 . 1 1 55 55 ALA HA H 1 3.900 0.020 . 1 . . . A 55 ALA HA . 17751 1 664 . 1 1 55 55 ALA HB1 H 1 1.550 0.020 . 1 . . . A 55 ALA HB1 . 17751 1 665 . 1 1 55 55 ALA HB2 H 1 1.550 0.020 . 1 . . . A 55 ALA HB2 . 17751 1 666 . 1 1 55 55 ALA HB3 H 1 1.550 0.020 . 1 . . . A 55 ALA HB3 . 17751 1 667 . 1 1 55 55 ALA CA C 13 55.400 0.050 . 1 . . . A 55 ALA CA . 17751 1 668 . 1 1 55 55 ALA CB C 13 17.600 0.050 . 1 . . . A 55 ALA CB . 17751 1 669 . 1 1 55 55 ALA N N 15 121.300 0.050 . 1 . . . A 55 ALA N . 17751 1 670 . 1 1 56 56 GLU H H 1 7.480 0.020 . 1 . . . A 56 GLU H . 17751 1 671 . 1 1 56 56 GLU HA H 1 4.070 0.020 . 1 . . . A 56 GLU HA . 17751 1 672 . 1 1 56 56 GLU HB2 H 1 2.180 0.020 . 2 . . . A 56 GLU HB2 . 17751 1 673 . 1 1 56 56 GLU HB3 H 1 2.180 0.020 . 2 . . . A 56 GLU HB3 . 17751 1 674 . 1 1 56 56 GLU HG2 H 1 2.500 0.020 . 2 . . . A 56 GLU HG2 . 17751 1 675 . 1 1 56 56 GLU HG3 H 1 2.360 0.020 . 2 . . . A 56 GLU HG3 . 17751 1 676 . 1 1 56 56 GLU CA C 13 58.300 0.050 . 1 . . . A 56 GLU CA . 17751 1 677 . 1 1 56 56 GLU CB C 13 29.700 0.050 . 1 . . . A 56 GLU CB . 17751 1 678 . 1 1 56 56 GLU CG C 13 35.800 0.050 . 1 . . . A 56 GLU CG . 17751 1 679 . 1 1 56 56 GLU N N 15 115.300 0.050 . 1 . . . A 56 GLU N . 17751 1 680 . 1 1 57 57 LYS H H 1 7.350 0.020 . 1 . . . A 57 LYS H . 17751 1 681 . 1 1 57 57 LYS HA H 1 4.300 0.020 . 1 . . . A 57 LYS HA . 17751 1 682 . 1 1 57 57 LYS HB2 H 1 1.750 0.020 . 2 . . . A 57 LYS HB2 . 17751 1 683 . 1 1 57 57 LYS HB3 H 1 2.030 0.020 . 2 . . . A 57 LYS HB3 . 17751 1 684 . 1 1 57 57 LYS HG2 H 1 1.600 0.020 . 2 . . . A 57 LYS HG2 . 17751 1 685 . 1 1 57 57 LYS HG3 H 1 1.500 0.020 . 2 . . . A 57 LYS HG3 . 17751 1 686 . 1 1 57 57 LYS HD2 H 1 1.660 0.020 . 2 . . . A 57 LYS HD2 . 17751 1 687 . 1 1 57 57 LYS HD3 H 1 1.660 0.020 . 2 . . . A 57 LYS HD3 . 17751 1 688 . 1 1 57 57 LYS HE2 H 1 2.980 0.020 . 2 . . . A 57 LYS HE2 . 17751 1 689 . 1 1 57 57 LYS HE3 H 1 2.980 0.020 . 2 . . . A 57 LYS HE3 . 17751 1 690 . 1 1 57 57 LYS CA C 13 55.800 0.050 . 1 . . . A 57 LYS CA . 17751 1 691 . 1 1 57 57 LYS CB C 13 33.400 0.050 . 1 . . . A 57 LYS CB . 17751 1 692 . 1 1 57 57 LYS CG C 13 25.400 0.050 . 1 . . . A 57 LYS CG . 17751 1 693 . 1 1 57 57 LYS CD C 13 29.100 0.050 . 1 . . . A 57 LYS CD . 17751 1 694 . 1 1 57 57 LYS CE C 13 41.800 0.050 . 1 . . . A 57 LYS CE . 17751 1 695 . 1 1 57 57 LYS N N 15 115.500 0.050 . 1 . . . A 57 LYS N . 17751 1 696 . 1 1 58 58 ALA H H 1 7.400 0.020 . 1 . . . A 58 ALA H . 17751 1 697 . 1 1 58 58 ALA HA H 1 4.310 0.020 . 1 . . . A 58 ALA HA . 17751 1 698 . 1 1 58 58 ALA HB1 H 1 1.390 0.020 . 1 . . . A 58 ALA HB1 . 17751 1 699 . 1 1 58 58 ALA HB2 H 1 1.390 0.020 . 1 . . . A 58 ALA HB2 . 17751 1 700 . 1 1 58 58 ALA HB3 H 1 1.390 0.020 . 1 . . . A 58 ALA HB3 . 17751 1 701 . 1 1 58 58 ALA CA C 13 52.900 0.050 . 1 . . . A 58 ALA CA . 17751 1 702 . 1 1 58 58 ALA CB C 13 18.000 0.050 . 1 . . . A 58 ALA CB . 17751 1 703 . 1 1 58 58 ALA N N 15 123.400 0.050 . 1 . . . A 58 ALA N . 17751 1 704 . 1 1 59 59 ARG HA H 1 4.330 0.020 . 1 . . . A 59 ARG HA . 17751 1 705 . 1 1 59 59 ARG HB2 H 1 1.840 0.020 . 2 . . . A 59 ARG HB2 . 17751 1 706 . 1 1 59 59 ARG HB3 H 1 2.020 0.020 . 2 . . . A 59 ARG HB3 . 17751 1 707 . 1 1 59 59 ARG HG2 H 1 1.800 0.020 . 2 . . . A 59 ARG HG2 . 17751 1 708 . 1 1 59 59 ARG HG3 H 1 1.800 0.020 . 2 . . . A 59 ARG HG3 . 17751 1 709 . 1 1 59 59 ARG HD2 H 1 3.260 0.020 . 2 . . . A 59 ARG HD2 . 17751 1 710 . 1 1 59 59 ARG HD3 H 1 3.260 0.020 . 2 . . . A 59 ARG HD3 . 17751 1 711 . 1 1 59 59 ARG CA C 13 56.300 0.050 . 1 . . . A 59 ARG CA . 17751 1 712 . 1 1 59 59 ARG CB C 13 30.900 0.050 . 1 . . . A 59 ARG CB . 17751 1 713 . 1 1 59 59 ARG CG C 13 27.100 0.050 . 1 . . . A 59 ARG CG . 17751 1 714 . 1 1 59 59 ARG CD C 13 43.100 0.050 . 1 . . . A 59 ARG CD . 17751 1 715 . 1 1 60 60 ASN HA H 1 5.110 0.020 . 1 . . . A 60 ASN HA . 17751 1 716 . 1 1 60 60 ASN HB2 H 1 2.970 0.020 . 2 . . . A 60 ASN HB2 . 17751 1 717 . 1 1 60 60 ASN HB3 H 1 2.970 0.020 . 2 . . . A 60 ASN HB3 . 17751 1 718 . 1 1 60 60 ASN HD21 H 1 7.260 0.020 . 2 . . . A 60 ASN HD21 . 17751 1 719 . 1 1 60 60 ASN HD22 H 1 7.870 0.020 . 2 . . . A 60 ASN HD22 . 17751 1 720 . 1 1 60 60 ASN CA C 13 50.800 0.050 . 1 . . . A 60 ASN CA . 17751 1 721 . 1 1 60 60 ASN CB C 13 39.500 0.050 . 1 . . . A 60 ASN CB . 17751 1 722 . 1 1 60 60 ASN ND2 N 15 114.100 0.050 . 1 . . . A 60 ASN ND2 . 17751 1 723 . 1 1 61 61 PRO HA H 1 4.260 0.020 . 1 . . . A 61 PRO HA . 17751 1 724 . 1 1 61 61 PRO HB2 H 1 2.420 0.020 . 2 . . . A 61 PRO HB2 . 17751 1 725 . 1 1 61 61 PRO HB3 H 1 2.030 0.020 . 2 . . . A 61 PRO HB3 . 17751 1 726 . 1 1 61 61 PRO HG2 H 1 2.080 0.020 . 2 . . . A 61 PRO HG2 . 17751 1 727 . 1 1 61 61 PRO HG3 H 1 2.210 0.020 . 2 . . . A 61 PRO HG3 . 17751 1 728 . 1 1 61 61 PRO HD2 H 1 4.060 0.020 . 2 . . . A 61 PRO HD2 . 17751 1 729 . 1 1 61 61 PRO HD3 H 1 3.970 0.020 . 2 . . . A 61 PRO HD3 . 17751 1 730 . 1 1 61 61 PRO CA C 13 65.100 0.050 . 1 . . . A 61 PRO CA . 17751 1 731 . 1 1 61 61 PRO CB C 13 32.200 0.050 . 1 . . . A 61 PRO CB . 17751 1 732 . 1 1 61 61 PRO CG C 13 27.500 0.050 . 1 . . . A 61 PRO CG . 17751 1 733 . 1 1 61 61 PRO CD C 13 51.300 0.050 . 1 . . . A 61 PRO CD . 17751 1 734 . 1 1 62 62 GLU H H 1 8.400 0.020 . 1 . . . A 62 GLU H . 17751 1 735 . 1 1 62 62 GLU HA H 1 4.110 0.020 . 1 . . . A 62 GLU HA . 17751 1 736 . 1 1 62 62 GLU HB2 H 1 2.150 0.020 . 2 . . . A 62 GLU HB2 . 17751 1 737 . 1 1 62 62 GLU HB3 H 1 2.050 0.020 . 2 . . . A 62 GLU HB3 . 17751 1 738 . 1 1 62 62 GLU HG2 H 1 2.350 0.020 . 2 . . . A 62 GLU HG2 . 17751 1 739 . 1 1 62 62 GLU HG3 H 1 2.350 0.020 . 2 . . . A 62 GLU HG3 . 17751 1 740 . 1 1 62 62 GLU CA C 13 59.700 0.050 . 1 . . . A 62 GLU CA . 17751 1 741 . 1 1 62 62 GLU CB C 13 28.800 0.050 . 1 . . . A 62 GLU CB . 17751 1 742 . 1 1 62 62 GLU CG C 13 36.700 0.050 . 1 . . . A 62 GLU CG . 17751 1 743 . 1 1 62 62 GLU N N 15 118.500 0.050 . 1 . . . A 62 GLU N . 17751 1 744 . 1 1 63 63 LYS H H 1 7.800 0.020 . 1 . . . A 63 LYS H . 17751 1 745 . 1 1 63 63 LYS HA H 1 4.140 0.020 . 1 . . . A 63 LYS HA . 17751 1 746 . 1 1 63 63 LYS HB2 H 1 1.990 0.020 . 2 . . . A 63 LYS HB2 . 17751 1 747 . 1 1 63 63 LYS HB3 H 1 1.950 0.020 . 2 . . . A 63 LYS HB3 . 17751 1 748 . 1 1 63 63 LYS HG2 H 1 1.550 0.020 . 2 . . . A 63 LYS HG2 . 17751 1 749 . 1 1 63 63 LYS HG3 H 1 1.550 0.020 . 2 . . . A 63 LYS HG3 . 17751 1 750 . 1 1 63 63 LYS HD2 H 1 1.800 0.020 . 2 . . . A 63 LYS HD2 . 17751 1 751 . 1 1 63 63 LYS HD3 H 1 1.800 0.020 . 2 . . . A 63 LYS HD3 . 17751 1 752 . 1 1 63 63 LYS HE2 H 1 2.970 0.020 . 2 . . . A 63 LYS HE2 . 17751 1 753 . 1 1 63 63 LYS HE3 H 1 2.970 0.020 . 2 . . . A 63 LYS HE3 . 17751 1 754 . 1 1 63 63 LYS CA C 13 57.900 0.050 . 1 . . . A 63 LYS CA . 17751 1 755 . 1 1 63 63 LYS CB C 13 32.300 0.050 . 1 . . . A 63 LYS CB . 17751 1 756 . 1 1 63 63 LYS CG C 13 25.000 0.050 . 1 . . . A 63 LYS CG . 17751 1 757 . 1 1 63 63 LYS CD C 13 28.900 0.050 . 1 . . . A 63 LYS CD . 17751 1 758 . 1 1 63 63 LYS CE C 13 41.800 0.050 . 1 . . . A 63 LYS CE . 17751 1 759 . 1 1 63 63 LYS N N 15 119.500 0.050 . 1 . . . A 63 LYS N . 17751 1 760 . 1 1 64 64 ARG H H 1 7.920 0.020 . 1 . . . A 64 ARG H . 17751 1 761 . 1 1 64 64 ARG HA H 1 3.810 0.020 . 1 . . . A 64 ARG HA . 17751 1 762 . 1 1 64 64 ARG HB2 H 1 1.870 0.020 . 2 . . . A 64 ARG HB2 . 17751 1 763 . 1 1 64 64 ARG HB3 H 1 1.990 0.020 . 2 . . . A 64 ARG HB3 . 17751 1 764 . 1 1 64 64 ARG HG2 H 1 1.770 0.020 . 2 . . . A 64 ARG HG2 . 17751 1 765 . 1 1 64 64 ARG HG3 H 1 1.650 0.020 . 2 . . . A 64 ARG HG3 . 17751 1 766 . 1 1 64 64 ARG HD2 H 1 3.260 0.020 . 2 . . . A 64 ARG HD2 . 17751 1 767 . 1 1 64 64 ARG HD3 H 1 3.260 0.020 . 2 . . . A 64 ARG HD3 . 17751 1 768 . 1 1 64 64 ARG CA C 13 59.400 0.050 . 1 . . . A 64 ARG CA . 17751 1 769 . 1 1 64 64 ARG CB C 13 29.500 0.050 . 1 . . . A 64 ARG CB . 17751 1 770 . 1 1 64 64 ARG CG C 13 27.700 0.050 . 1 . . . A 64 ARG CG . 17751 1 771 . 1 1 64 64 ARG CD C 13 43.100 0.050 . 1 . . . A 64 ARG CD . 17751 1 772 . 1 1 64 64 ARG N N 15 118.300 0.050 . 1 . . . A 64 ARG N . 17751 1 773 . 1 1 65 65 GLN H H 1 7.970 0.020 . 1 . . . A 65 GLN H . 17751 1 774 . 1 1 65 65 GLN HA H 1 4.140 0.020 . 1 . . . A 65 GLN HA . 17751 1 775 . 1 1 65 65 GLN HB2 H 1 2.170 0.020 . 2 . . . A 65 GLN HB2 . 17751 1 776 . 1 1 65 65 GLN HB3 H 1 2.220 0.020 . 2 . . . A 65 GLN HB3 . 17751 1 777 . 1 1 65 65 GLN HG2 H 1 2.450 0.020 . 2 . . . A 65 GLN HG2 . 17751 1 778 . 1 1 65 65 GLN HG3 H 1 2.560 0.020 . 2 . . . A 65 GLN HG3 . 17751 1 779 . 1 1 65 65 GLN HE21 H 1 6.860 0.020 . 2 . . . A 65 GLN HE21 . 17751 1 780 . 1 1 65 65 GLN HE22 H 1 7.410 0.020 . 2 . . . A 65 GLN HE22 . 17751 1 781 . 1 1 65 65 GLN CA C 13 59.000 0.050 . 1 . . . A 65 GLN CA . 17751 1 782 . 1 1 65 65 GLN CB C 13 28.300 0.050 . 1 . . . A 65 GLN CB . 17751 1 783 . 1 1 65 65 GLN CG C 13 34.100 0.050 . 1 . . . A 65 GLN CG . 17751 1 784 . 1 1 65 65 GLN N N 15 116.900 0.050 . 1 . . . A 65 GLN N . 17751 1 785 . 1 1 65 65 GLN NE2 N 15 111.100 0.050 . 1 . . . A 65 GLN NE2 . 17751 1 786 . 1 1 66 66 VAL H H 1 7.460 0.020 . 1 . . . A 66 VAL H . 17751 1 787 . 1 1 66 66 VAL HA H 1 3.690 0.020 . 1 . . . A 66 VAL HA . 17751 1 788 . 1 1 66 66 VAL HB H 1 2.250 0.020 . 1 . . . A 66 VAL HB . 17751 1 789 . 1 1 66 66 VAL HG11 H 1 0.990 0.020 . 2 . . . A 66 VAL HG11 . 17751 1 790 . 1 1 66 66 VAL HG12 H 1 0.990 0.020 . 2 . . . A 66 VAL HG12 . 17751 1 791 . 1 1 66 66 VAL HG13 H 1 0.990 0.020 . 2 . . . A 66 VAL HG13 . 17751 1 792 . 1 1 66 66 VAL HG21 H 1 1.150 0.020 . 2 . . . A 66 VAL HG21 . 17751 1 793 . 1 1 66 66 VAL HG22 H 1 1.150 0.020 . 2 . . . A 66 VAL HG22 . 17751 1 794 . 1 1 66 66 VAL HG23 H 1 1.150 0.020 . 2 . . . A 66 VAL HG23 . 17751 1 795 . 1 1 66 66 VAL CA C 13 66.100 0.050 . 1 . . . A 66 VAL CA . 17751 1 796 . 1 1 66 66 VAL CB C 13 32.000 0.050 . 1 . . . A 66 VAL CB . 17751 1 797 . 1 1 66 66 VAL CG1 C 13 21.100 0.050 . 1 . . . A 66 VAL CG1 . 17751 1 798 . 1 1 66 66 VAL CG2 C 13 22.800 0.050 . 1 . . . A 66 VAL CG2 . 17751 1 799 . 1 1 66 66 VAL N N 15 119.900 0.050 . 1 . . . A 66 VAL N . 17751 1 800 . 1 1 67 67 ILE H H 1 7.730 0.020 . 1 . . . A 67 ILE H . 17751 1 801 . 1 1 67 67 ILE HA H 1 3.480 0.020 . 1 . . . A 67 ILE HA . 17751 1 802 . 1 1 67 67 ILE HB H 1 1.910 0.020 . 1 . . . A 67 ILE HB . 17751 1 803 . 1 1 67 67 ILE HG12 H 1 1.120 0.020 . 2 . . . A 67 ILE HG12 . 17751 1 804 . 1 1 67 67 ILE HG13 H 1 1.820 0.020 . 2 . . . A 67 ILE HG13 . 17751 1 805 . 1 1 67 67 ILE HG21 H 1 1.080 0.020 . 1 . . . A 67 ILE HG21 . 17751 1 806 . 1 1 67 67 ILE HG22 H 1 1.080 0.020 . 1 . . . A 67 ILE HG22 . 17751 1 807 . 1 1 67 67 ILE HG23 H 1 1.080 0.020 . 1 . . . A 67 ILE HG23 . 17751 1 808 . 1 1 67 67 ILE HD11 H 1 0.830 0.020 . 1 . . . A 67 ILE HD11 . 17751 1 809 . 1 1 67 67 ILE HD12 H 1 0.830 0.020 . 1 . . . A 67 ILE HD12 . 17751 1 810 . 1 1 67 67 ILE HD13 H 1 0.830 0.020 . 1 . . . A 67 ILE HD13 . 17751 1 811 . 1 1 67 67 ILE CA C 13 65.100 0.050 . 1 . . . A 67 ILE CA . 17751 1 812 . 1 1 67 67 ILE CB C 13 37.700 0.050 . 1 . . . A 67 ILE CB . 17751 1 813 . 1 1 67 67 ILE CG1 C 13 29.500 0.050 . 1 . . . A 67 ILE CG1 . 17751 1 814 . 1 1 67 67 ILE CG2 C 13 18.300 0.050 . 1 . . . A 67 ILE CG2 . 17751 1 815 . 1 1 67 67 ILE CD1 C 13 13.100 0.050 . 1 . . . A 67 ILE CD1 . 17751 1 816 . 1 1 67 67 ILE N N 15 119.700 0.050 . 1 . . . A 67 ILE N . 17751 1 817 . 1 1 68 68 ASP H H 1 8.570 0.020 . 1 . . . A 68 ASP H . 17751 1 818 . 1 1 68 68 ASP HA H 1 4.340 0.020 . 1 . . . A 68 ASP HA . 17751 1 819 . 1 1 68 68 ASP HB2 H 1 2.740 0.020 . 2 . . . A 68 ASP HB2 . 17751 1 820 . 1 1 68 68 ASP HB3 H 1 2.590 0.020 . 2 . . . A 68 ASP HB3 . 17751 1 821 . 1 1 68 68 ASP CA C 13 57.800 0.050 . 1 . . . A 68 ASP CA . 17751 1 822 . 1 1 68 68 ASP CB C 13 40.300 0.050 . 1 . . . A 68 ASP CB . 17751 1 823 . 1 1 68 68 ASP N N 15 119.600 0.050 . 1 . . . A 68 ASP N . 17751 1 824 . 1 1 69 69 LYS H H 1 7.510 0.020 . 1 . . . A 69 LYS H . 17751 1 825 . 1 1 69 69 LYS HA H 1 4.000 0.020 . 1 . . . A 69 LYS HA . 17751 1 826 . 1 1 69 69 LYS HB2 H 1 1.940 0.020 . 2 . . . A 69 LYS HB2 . 17751 1 827 . 1 1 69 69 LYS HB3 H 1 1.940 0.020 . 2 . . . A 69 LYS HB3 . 17751 1 828 . 1 1 69 69 LYS HG2 H 1 1.470 0.020 . 2 . . . A 69 LYS HG2 . 17751 1 829 . 1 1 69 69 LYS HG3 H 1 1.470 0.020 . 2 . . . A 69 LYS HG3 . 17751 1 830 . 1 1 69 69 LYS HD2 H 1 1.650 0.020 . 2 . . . A 69 LYS HD2 . 17751 1 831 . 1 1 69 69 LYS HD3 H 1 1.650 0.020 . 2 . . . A 69 LYS HD3 . 17751 1 832 . 1 1 69 69 LYS HE2 H 1 2.980 0.020 . 2 . . . A 69 LYS HE2 . 17751 1 833 . 1 1 69 69 LYS HE3 H 1 2.980 0.020 . 2 . . . A 69 LYS HE3 . 17751 1 834 . 1 1 69 69 LYS CA C 13 58.800 0.050 . 1 . . . A 69 LYS CA . 17751 1 835 . 1 1 69 69 LYS CB C 13 31.800 0.050 . 1 . . . A 69 LYS CB . 17751 1 836 . 1 1 69 69 LYS CG C 13 24.900 0.050 . 1 . . . A 69 LYS CG . 17751 1 837 . 1 1 69 69 LYS CD C 13 28.800 0.050 . 1 . . . A 69 LYS CD . 17751 1 838 . 1 1 69 69 LYS CE C 13 41.800 0.050 . 1 . . . A 69 LYS CE . 17751 1 839 . 1 1 69 69 LYS N N 15 119.900 0.050 . 1 . . . A 69 LYS N . 17751 1 840 . 1 1 70 70 ILE H H 1 7.720 0.020 . 1 . . . A 70 ILE H . 17751 1 841 . 1 1 70 70 ILE HA H 1 2.920 0.020 . 1 . . . A 70 ILE HA . 17751 1 842 . 1 1 70 70 ILE HB H 1 1.200 0.020 . 1 . . . A 70 ILE HB . 17751 1 843 . 1 1 70 70 ILE HG12 H 1 1.570 0.020 . 2 . . . A 70 ILE HG12 . 17751 1 844 . 1 1 70 70 ILE HG13 H 1 0.450 0.020 . 2 . . . A 70 ILE HG13 . 17751 1 845 . 1 1 70 70 ILE HG21 H 1 -0.530 0.020 . 1 . . . A 70 ILE HG21 . 17751 1 846 . 1 1 70 70 ILE HG22 H 1 -0.530 0.020 . 1 . . . A 70 ILE HG22 . 17751 1 847 . 1 1 70 70 ILE HG23 H 1 -0.530 0.020 . 1 . . . A 70 ILE HG23 . 17751 1 848 . 1 1 70 70 ILE HD11 H 1 0.700 0.020 . 1 . . . A 70 ILE HD11 . 17751 1 849 . 1 1 70 70 ILE HD12 H 1 0.700 0.020 . 1 . . . A 70 ILE HD12 . 17751 1 850 . 1 1 70 70 ILE HD13 H 1 0.700 0.020 . 1 . . . A 70 ILE HD13 . 17751 1 851 . 1 1 70 70 ILE CA C 13 66.000 0.050 . 1 . . . A 70 ILE CA . 17751 1 852 . 1 1 70 70 ILE CB C 13 37.500 0.050 . 1 . . . A 70 ILE CB . 17751 1 853 . 1 1 70 70 ILE CG1 C 13 28.900 0.050 . 1 . . . A 70 ILE CG1 . 17751 1 854 . 1 1 70 70 ILE CG2 C 13 14.600 0.050 . 1 . . . A 70 ILE CG2 . 17751 1 855 . 1 1 70 70 ILE CD1 C 13 13.900 0.050 . 1 . . . A 70 ILE CD1 . 17751 1 856 . 1 1 70 70 ILE N N 15 122.000 0.050 . 1 . . . A 70 ILE N . 17751 1 857 . 1 1 71 71 LEU H H 1 8.620 0.020 . 1 . . . A 71 LEU H . 17751 1 858 . 1 1 71 71 LEU HA H 1 3.540 0.020 . 1 . . . A 71 LEU HA . 17751 1 859 . 1 1 71 71 LEU HB2 H 1 1.530 0.020 . 2 . . . A 71 LEU HB2 . 17751 1 860 . 1 1 71 71 LEU HB3 H 1 1.860 0.020 . 2 . . . A 71 LEU HB3 . 17751 1 861 . 1 1 71 71 LEU HG H 1 1.470 0.020 . 1 . . . A 71 LEU HG . 17751 1 862 . 1 1 71 71 LEU HD11 H 1 0.910 0.020 . 2 . . . A 71 LEU HD11 . 17751 1 863 . 1 1 71 71 LEU HD12 H 1 0.910 0.020 . 2 . . . A 71 LEU HD12 . 17751 1 864 . 1 1 71 71 LEU HD13 H 1 0.910 0.020 . 2 . . . A 71 LEU HD13 . 17751 1 865 . 1 1 71 71 LEU HD21 H 1 1.000 0.020 . 2 . . . A 71 LEU HD21 . 17751 1 866 . 1 1 71 71 LEU HD22 H 1 1.000 0.020 . 2 . . . A 71 LEU HD22 . 17751 1 867 . 1 1 71 71 LEU HD23 H 1 1.000 0.020 . 2 . . . A 71 LEU HD23 . 17751 1 868 . 1 1 71 71 LEU CA C 13 58.700 0.050 . 1 . . . A 71 LEU CA . 17751 1 869 . 1 1 71 71 LEU CB C 13 42.100 0.050 . 1 . . . A 71 LEU CB . 17751 1 870 . 1 1 71 71 LEU CG C 13 27.700 0.050 . 1 . . . A 71 LEU CG . 17751 1 871 . 1 1 71 71 LEU CD1 C 13 25.800 0.050 . 1 . . . A 71 LEU CD1 . 17751 1 872 . 1 1 71 71 LEU CD2 C 13 26.000 0.050 . 1 . . . A 71 LEU CD2 . 17751 1 873 . 1 1 71 71 LEU N N 15 119.800 0.050 . 1 . . . A 71 LEU N . 17751 1 874 . 1 1 72 72 GLU H H 1 7.460 0.020 . 1 . . . A 72 GLU H . 17751 1 875 . 1 1 72 72 GLU HA H 1 4.000 0.020 . 1 . . . A 72 GLU HA . 17751 1 876 . 1 1 72 72 GLU HB2 H 1 2.080 0.020 . 2 . . . A 72 GLU HB2 . 17751 1 877 . 1 1 72 72 GLU HB3 H 1 2.160 0.020 . 2 . . . A 72 GLU HB3 . 17751 1 878 . 1 1 72 72 GLU HG2 H 1 2.350 0.020 . 2 . . . A 72 GLU HG2 . 17751 1 879 . 1 1 72 72 GLU HG3 H 1 2.450 0.020 . 2 . . . A 72 GLU HG3 . 17751 1 880 . 1 1 72 72 GLU CA C 13 58.900 0.050 . 1 . . . A 72 GLU CA . 17751 1 881 . 1 1 72 72 GLU CB C 13 29.200 0.050 . 1 . . . A 72 GLU CB . 17751 1 882 . 1 1 72 72 GLU CG C 13 35.700 0.050 . 1 . . . A 72 GLU CG . 17751 1 883 . 1 1 72 72 GLU N N 15 117.000 0.050 . 1 . . . A 72 GLU N . 17751 1 884 . 1 1 73 73 ASP H H 1 7.510 0.020 . 1 . . . A 73 ASP H . 17751 1 885 . 1 1 73 73 ASP HA H 1 4.230 0.020 . 1 . . . A 73 ASP HA . 17751 1 886 . 1 1 73 73 ASP HB2 H 1 3.120 0.020 . 2 . . . A 73 ASP HB2 . 17751 1 887 . 1 1 73 73 ASP HB3 H 1 2.710 0.020 . 2 . . . A 73 ASP HB3 . 17751 1 888 . 1 1 73 73 ASP CA C 13 56.900 0.050 . 1 . . . A 73 ASP CA . 17751 1 889 . 1 1 73 73 ASP CB C 13 39.500 0.050 . 1 . . . A 73 ASP CB . 17751 1 890 . 1 1 73 73 ASP N N 15 121.400 0.050 . 1 . . . A 73 ASP N . 17751 1 891 . 1 1 74 74 GLU H H 1 8.620 0.020 . 1 . . . A 74 GLU H . 17751 1 892 . 1 1 74 74 GLU HA H 1 4.730 0.020 . 1 . . . A 74 GLU HA . 17751 1 893 . 1 1 74 74 GLU HB2 H 1 2.390 0.020 . 2 . . . A 74 GLU HB2 . 17751 1 894 . 1 1 74 74 GLU HB3 H 1 1.810 0.020 . 2 . . . A 74 GLU HB3 . 17751 1 895 . 1 1 74 74 GLU HG2 H 1 2.330 0.020 . 2 . . . A 74 GLU HG2 . 17751 1 896 . 1 1 74 74 GLU HG3 H 1 2.960 0.020 . 2 . . . A 74 GLU HG3 . 17751 1 897 . 1 1 74 74 GLU CA C 13 57.700 0.050 . 1 . . . A 74 GLU CA . 17751 1 898 . 1 1 74 74 GLU CB C 13 27.800 0.050 . 1 . . . A 74 GLU CB . 17751 1 899 . 1 1 74 74 GLU CG C 13 33.100 0.050 . 1 . . . A 74 GLU CG . 17751 1 900 . 1 1 74 74 GLU N N 15 118.600 0.050 . 1 . . . A 74 GLU N . 17751 1 901 . 1 1 75 75 GLU H H 1 8.290 0.020 . 1 . . . A 75 GLU H . 17751 1 902 . 1 1 75 75 GLU HA H 1 3.990 0.020 . 1 . . . A 75 GLU HA . 17751 1 903 . 1 1 75 75 GLU HB2 H 1 2.050 0.020 . 2 . . . A 75 GLU HB2 . 17751 1 904 . 1 1 75 75 GLU HB3 H 1 2.170 0.020 . 2 . . . A 75 GLU HB3 . 17751 1 905 . 1 1 75 75 GLU HG2 H 1 2.500 0.020 . 2 . . . A 75 GLU HG2 . 17751 1 906 . 1 1 75 75 GLU HG3 H 1 2.220 0.020 . 2 . . . A 75 GLU HG3 . 17751 1 907 . 1 1 75 75 GLU CA C 13 59.500 0.050 . 1 . . . A 75 GLU CA . 17751 1 908 . 1 1 75 75 GLU CB C 13 29.200 0.050 . 1 . . . A 75 GLU CB . 17751 1 909 . 1 1 75 75 GLU CG C 13 36.200 0.050 . 1 . . . A 75 GLU CG . 17751 1 910 . 1 1 75 75 GLU N N 15 116.900 0.050 . 1 . . . A 75 GLU N . 17751 1 911 . 1 1 76 76 LYS H H 1 7.430 0.020 . 1 . . . A 76 LYS H . 17751 1 912 . 1 1 76 76 LYS HA H 1 4.010 0.020 . 1 . . . A 76 LYS HA . 17751 1 913 . 1 1 76 76 LYS HB2 H 1 1.850 0.020 . 2 . . . A 76 LYS HB2 . 17751 1 914 . 1 1 76 76 LYS HB3 H 1 1.670 0.020 . 2 . . . A 76 LYS HB3 . 17751 1 915 . 1 1 76 76 LYS HG2 H 1 1.540 0.020 . 2 . . . A 76 LYS HG2 . 17751 1 916 . 1 1 76 76 LYS HG3 H 1 1.310 0.020 . 2 . . . A 76 LYS HG3 . 17751 1 917 . 1 1 76 76 LYS HD2 H 1 1.630 0.020 . 2 . . . A 76 LYS HD2 . 17751 1 918 . 1 1 76 76 LYS HD3 H 1 1.630 0.020 . 2 . . . A 76 LYS HD3 . 17751 1 919 . 1 1 76 76 LYS HE2 H 1 2.880 0.020 . 2 . . . A 76 LYS HE2 . 17751 1 920 . 1 1 76 76 LYS HE3 H 1 2.880 0.020 . 2 . . . A 76 LYS HE3 . 17751 1 921 . 1 1 76 76 LYS CA C 13 59.400 0.050 . 1 . . . A 76 LYS CA . 17751 1 922 . 1 1 76 76 LYS CB C 13 31.400 0.050 . 1 . . . A 76 LYS CB . 17751 1 923 . 1 1 76 76 LYS CG C 13 24.900 0.050 . 1 . . . A 76 LYS CG . 17751 1 924 . 1 1 76 76 LYS CD C 13 29.200 0.050 . 1 . . . A 76 LYS CD . 17751 1 925 . 1 1 76 76 LYS CE C 13 42.200 0.050 . 1 . . . A 76 LYS CE . 17751 1 926 . 1 1 76 76 LYS N N 15 120.600 0.050 . 1 . . . A 76 LYS N . 17751 1 927 . 1 1 77 77 HIS H H 1 8.190 0.020 . 1 . . . A 77 HIS H . 17751 1 928 . 1 1 77 77 HIS HA H 1 4.720 0.020 . 1 . . . A 77 HIS HA . 17751 1 929 . 1 1 77 77 HIS HB2 H 1 3.690 0.020 . 2 . . . A 77 HIS HB2 . 17751 1 930 . 1 1 77 77 HIS HB3 H 1 2.810 0.020 . 2 . . . A 77 HIS HB3 . 17751 1 931 . 1 1 77 77 HIS HD2 H 1 6.710 0.020 . 1 . . . A 77 HIS HD2 . 17751 1 932 . 1 1 77 77 HIS HE1 H 1 8.410 0.020 . 1 . . . A 77 HIS HE1 . 17751 1 933 . 1 1 77 77 HIS CA C 13 57.800 0.050 . 1 . . . A 77 HIS CA . 17751 1 934 . 1 1 77 77 HIS CB C 13 30.700 0.050 . 1 . . . A 77 HIS CB . 17751 1 935 . 1 1 77 77 HIS CD2 C 13 117.200 0.050 . 1 . . . A 77 HIS CD2 . 17751 1 936 . 1 1 77 77 HIS CE1 C 13 141.100 0.050 . 1 . . . A 77 HIS CE1 . 17751 1 937 . 1 1 77 77 HIS N N 15 120.300 0.050 . 1 . . . A 77 HIS N . 17751 1 938 . 1 1 78 78 ILE H H 1 8.570 0.020 . 1 . . . A 78 ILE H . 17751 1 939 . 1 1 78 78 ILE HA H 1 3.580 0.020 . 1 . . . A 78 ILE HA . 17751 1 940 . 1 1 78 78 ILE HB H 1 2.040 0.020 . 1 . . . A 78 ILE HB . 17751 1 941 . 1 1 78 78 ILE HG12 H 1 2.060 0.020 . 2 . . . A 78 ILE HG12 . 17751 1 942 . 1 1 78 78 ILE HG13 H 1 0.940 0.020 . 2 . . . A 78 ILE HG13 . 17751 1 943 . 1 1 78 78 ILE HG21 H 1 1.010 0.020 . 1 . . . A 78 ILE HG21 . 17751 1 944 . 1 1 78 78 ILE HG22 H 1 1.010 0.020 . 1 . . . A 78 ILE HG22 . 17751 1 945 . 1 1 78 78 ILE HG23 H 1 1.010 0.020 . 1 . . . A 78 ILE HG23 . 17751 1 946 . 1 1 78 78 ILE HD11 H 1 0.910 0.020 . 1 . . . A 78 ILE HD11 . 17751 1 947 . 1 1 78 78 ILE HD12 H 1 0.910 0.020 . 1 . . . A 78 ILE HD12 . 17751 1 948 . 1 1 78 78 ILE HD13 H 1 0.910 0.020 . 1 . . . A 78 ILE HD13 . 17751 1 949 . 1 1 78 78 ILE CA C 13 67.100 0.050 . 1 . . . A 78 ILE CA . 17751 1 950 . 1 1 78 78 ILE CB C 13 38.600 0.050 . 1 . . . A 78 ILE CB . 17751 1 951 . 1 1 78 78 ILE CG1 C 13 32.100 0.050 . 1 . . . A 78 ILE CG1 . 17751 1 952 . 1 1 78 78 ILE CG2 C 13 17.600 0.050 . 1 . . . A 78 ILE CG2 . 17751 1 953 . 1 1 78 78 ILE CD1 C 13 14.700 0.050 . 1 . . . A 78 ILE CD1 . 17751 1 954 . 1 1 78 78 ILE N N 15 119.500 0.050 . 1 . . . A 78 ILE N . 17751 1 955 . 1 1 79 79 GLU H H 1 8.040 0.020 . 1 . . . A 79 GLU H . 17751 1 956 . 1 1 79 79 GLU HA H 1 3.990 0.020 . 1 . . . A 79 GLU HA . 17751 1 957 . 1 1 79 79 GLU HB2 H 1 2.190 0.020 . 2 . . . A 79 GLU HB2 . 17751 1 958 . 1 1 79 79 GLU HB3 H 1 2.190 0.020 . 2 . . . A 79 GLU HB3 . 17751 1 959 . 1 1 79 79 GLU HG2 H 1 2.430 0.020 . 2 . . . A 79 GLU HG2 . 17751 1 960 . 1 1 79 79 GLU HG3 H 1 2.430 0.020 . 2 . . . A 79 GLU HG3 . 17751 1 961 . 1 1 79 79 GLU CA C 13 59.500 0.050 . 1 . . . A 79 GLU CA . 17751 1 962 . 1 1 79 79 GLU CB C 13 29.400 0.050 . 1 . . . A 79 GLU CB . 17751 1 963 . 1 1 79 79 GLU CG C 13 35.900 0.050 . 1 . . . A 79 GLU CG . 17751 1 964 . 1 1 79 79 GLU N N 15 118.100 0.050 . 1 . . . A 79 GLU N . 17751 1 965 . 1 1 80 80 TRP H H 1 8.710 0.020 . 1 . . . A 80 TRP H . 17751 1 966 . 1 1 80 80 TRP HA H 1 4.350 0.020 . 1 . . . A 80 TRP HA . 17751 1 967 . 1 1 80 80 TRP HB2 H 1 3.440 0.020 . 2 . . . A 80 TRP HB2 . 17751 1 968 . 1 1 80 80 TRP HB3 H 1 3.360 0.020 . 2 . . . A 80 TRP HB3 . 17751 1 969 . 1 1 80 80 TRP HD1 H 1 6.640 0.020 . 1 . . . A 80 TRP HD1 . 17751 1 970 . 1 1 80 80 TRP HE1 H 1 9.970 0.020 . 1 . . . A 80 TRP HE1 . 17751 1 971 . 1 1 80 80 TRP HE3 H 1 7.140 0.020 . 1 . . . A 80 TRP HE3 . 17751 1 972 . 1 1 80 80 TRP HZ2 H 1 7.340 0.020 . 1 . . . A 80 TRP HZ2 . 17751 1 973 . 1 1 80 80 TRP HZ3 H 1 6.920 0.020 . 1 . . . A 80 TRP HZ3 . 17751 1 974 . 1 1 80 80 TRP HH2 H 1 7.020 0.020 . 1 . . . A 80 TRP HH2 . 17751 1 975 . 1 1 80 80 TRP CA C 13 60.800 0.050 . 1 . . . A 80 TRP CA . 17751 1 976 . 1 1 80 80 TRP CB C 13 29.500 0.050 . 1 . . . A 80 TRP CB . 17751 1 977 . 1 1 80 80 TRP CD1 C 13 126.600 0.050 . 1 . . . A 80 TRP CD1 . 17751 1 978 . 1 1 80 80 TRP CE3 C 13 120.700 0.050 . 1 . . . A 80 TRP CE3 . 17751 1 979 . 1 1 80 80 TRP CZ2 C 13 114.300 0.050 . 1 . . . A 80 TRP CZ2 . 17751 1 980 . 1 1 80 80 TRP CZ3 C 13 121.600 0.050 . 1 . . . A 80 TRP CZ3 . 17751 1 981 . 1 1 80 80 TRP CH2 C 13 123.900 0.050 . 1 . . . A 80 TRP CH2 . 17751 1 982 . 1 1 80 80 TRP N N 15 119.300 0.050 . 1 . . . A 80 TRP N . 17751 1 983 . 1 1 80 80 TRP NE1 N 15 128.500 0.050 . 1 . . . A 80 TRP NE1 . 17751 1 984 . 1 1 81 81 HIS H H 1 8.350 0.020 . 1 . . . A 81 HIS H . 17751 1 985 . 1 1 81 81 HIS HA H 1 4.190 0.020 . 1 . . . A 81 HIS HA . 17751 1 986 . 1 1 81 81 HIS HB2 H 1 3.330 0.020 . 2 . . . A 81 HIS HB2 . 17751 1 987 . 1 1 81 81 HIS HB3 H 1 3.230 0.020 . 2 . . . A 81 HIS HB3 . 17751 1 988 . 1 1 81 81 HIS HD2 H 1 8.030 0.020 . 1 . . . A 81 HIS HD2 . 17751 1 989 . 1 1 81 81 HIS HE1 H 1 8.260 0.020 . 1 . . . A 81 HIS HE1 . 17751 1 990 . 1 1 81 81 HIS CA C 13 59.900 0.050 . 1 . . . A 81 HIS CA . 17751 1 991 . 1 1 81 81 HIS CB C 13 28.500 0.050 . 1 . . . A 81 HIS CB . 17751 1 992 . 1 1 81 81 HIS CD2 C 13 128.000 0.050 . 1 . . . A 81 HIS CD2 . 17751 1 993 . 1 1 81 81 HIS CE1 C 13 140.500 0.050 . 1 . . . A 81 HIS CE1 . 17751 1 994 . 1 1 81 81 HIS N N 15 115.200 0.050 . 1 . . . A 81 HIS N . 17751 1 995 . 1 1 82 82 LYS H H 1 8.690 0.020 . 1 . . . A 82 LYS H . 17751 1 996 . 1 1 82 82 LYS HA H 1 4.140 0.020 . 1 . . . A 82 LYS HA . 17751 1 997 . 1 1 82 82 LYS HB2 H 1 1.920 0.020 . 2 . . . A 82 LYS HB2 . 17751 1 998 . 1 1 82 82 LYS HB3 H 1 1.920 0.020 . 2 . . . A 82 LYS HB3 . 17751 1 999 . 1 1 82 82 LYS HG2 H 1 1.740 0.020 . 2 . . . A 82 LYS HG2 . 17751 1 1000 . 1 1 82 82 LYS HG3 H 1 1.550 0.020 . 2 . . . A 82 LYS HG3 . 17751 1 1001 . 1 1 82 82 LYS HD2 H 1 1.710 0.020 . 2 . . . A 82 LYS HD2 . 17751 1 1002 . 1 1 82 82 LYS HD3 H 1 1.710 0.020 . 2 . . . A 82 LYS HD3 . 17751 1 1003 . 1 1 82 82 LYS HE2 H 1 2.970 0.020 . 2 . . . A 82 LYS HE2 . 17751 1 1004 . 1 1 82 82 LYS HE3 H 1 2.970 0.020 . 2 . . . A 82 LYS HE3 . 17751 1 1005 . 1 1 82 82 LYS CA C 13 59.300 0.050 . 1 . . . A 82 LYS CA . 17751 1 1006 . 1 1 82 82 LYS CB C 13 32.500 0.050 . 1 . . . A 82 LYS CB . 17751 1 1007 . 1 1 82 82 LYS CG C 13 25.300 0.050 . 1 . . . A 82 LYS CG . 17751 1 1008 . 1 1 82 82 LYS CD C 13 29.700 0.050 . 1 . . . A 82 LYS CD . 17751 1 1009 . 1 1 82 82 LYS CE C 13 41.800 0.050 . 1 . . . A 82 LYS CE . 17751 1 1010 . 1 1 82 82 LYS N N 15 121.000 0.050 . 1 . . . A 82 LYS N . 17751 1 1011 . 1 1 83 83 ALA H H 1 7.310 0.020 . 1 . . . A 83 ALA H . 17751 1 1012 . 1 1 83 83 ALA HA H 1 4.270 0.020 . 1 . . . A 83 ALA HA . 17751 1 1013 . 1 1 83 83 ALA HB1 H 1 1.330 0.020 . 1 . . . A 83 ALA HB1 . 17751 1 1014 . 1 1 83 83 ALA HB2 H 1 1.330 0.020 . 1 . . . A 83 ALA HB2 . 17751 1 1015 . 1 1 83 83 ALA HB3 H 1 1.330 0.020 . 1 . . . A 83 ALA HB3 . 17751 1 1016 . 1 1 83 83 ALA CA C 13 52.900 0.050 . 1 . . . A 83 ALA CA . 17751 1 1017 . 1 1 83 83 ALA CB C 13 18.700 0.050 . 1 . . . A 83 ALA CB . 17751 1 1018 . 1 1 83 83 ALA N N 15 121.600 0.050 . 1 . . . A 83 ALA N . 17751 1 1019 . 1 1 84 84 ALA H H 1 7.650 0.020 . 1 . . . A 84 ALA H . 17751 1 1020 . 1 1 84 84 ALA HA H 1 3.890 0.020 . 1 . . . A 84 ALA HA . 17751 1 1021 . 1 1 84 84 ALA HB1 H 1 1.080 0.020 . 1 . . . A 84 ALA HB1 . 17751 1 1022 . 1 1 84 84 ALA HB2 H 1 1.080 0.020 . 1 . . . A 84 ALA HB2 . 17751 1 1023 . 1 1 84 84 ALA HB3 H 1 1.080 0.020 . 1 . . . A 84 ALA HB3 . 17751 1 1024 . 1 1 84 84 ALA CA C 13 53.100 0.050 . 1 . . . A 84 ALA CA . 17751 1 1025 . 1 1 84 84 ALA CB C 13 18.200 0.050 . 1 . . . A 84 ALA CB . 17751 1 1026 . 1 1 84 84 ALA N N 15 121.800 0.050 . 1 . . . A 84 ALA N . 17751 1 1027 . 1 1 85 85 SER H H 1 7.890 0.020 . 1 . . . A 85 SER H . 17751 1 1028 . 1 1 85 85 SER HA H 1 4.320 0.020 . 1 . . . A 85 SER HA . 17751 1 1029 . 1 1 85 85 SER HB2 H 1 3.810 0.020 . 2 . . . A 85 SER HB2 . 17751 1 1030 . 1 1 85 85 SER HB3 H 1 3.850 0.020 . 2 . . . A 85 SER HB3 . 17751 1 1031 . 1 1 85 85 SER CA C 13 58.900 0.050 . 1 . . . A 85 SER CA . 17751 1 1032 . 1 1 85 85 SER CB C 13 63.500 0.050 . 1 . . . A 85 SER CB . 17751 1 1033 . 1 1 85 85 SER N N 15 114.000 0.050 . 1 . . . A 85 SER N . 17751 1 1034 . 1 1 86 86 LYS H H 1 7.980 0.020 . 1 . . . A 86 LYS H . 17751 1 1035 . 1 1 86 86 LYS HA H 1 4.280 0.020 . 1 . . . A 86 LYS HA . 17751 1 1036 . 1 1 86 86 LYS HB2 H 1 1.840 0.020 . 2 . . . A 86 LYS HB2 . 17751 1 1037 . 1 1 86 86 LYS HB3 H 1 1.720 0.020 . 2 . . . A 86 LYS HB3 . 17751 1 1038 . 1 1 86 86 LYS HG2 H 1 1.370 0.020 . 2 . . . A 86 LYS HG2 . 17751 1 1039 . 1 1 86 86 LYS HG3 H 1 1.570 0.020 . 2 . . . A 86 LYS HG3 . 17751 1 1040 . 1 1 86 86 LYS HD2 H 1 1.720 0.020 . 2 . . . A 86 LYS HD2 . 17751 1 1041 . 1 1 86 86 LYS HD3 H 1 1.610 0.020 . 2 . . . A 86 LYS HD3 . 17751 1 1042 . 1 1 86 86 LYS HE2 H 1 3.010 0.020 . 2 . . . A 86 LYS HE2 . 17751 1 1043 . 1 1 86 86 LYS HE3 H 1 3.010 0.020 . 2 . . . A 86 LYS HE3 . 17751 1 1044 . 1 1 86 86 LYS CA C 13 56.400 0.050 . 1 . . . A 86 LYS CA . 17751 1 1045 . 1 1 86 86 LYS CB C 13 32.700 0.050 . 1 . . . A 86 LYS CB . 17751 1 1046 . 1 1 86 86 LYS CG C 13 25.000 0.050 . 1 . . . A 86 LYS CG . 17751 1 1047 . 1 1 86 86 LYS CD C 13 28.800 0.050 . 1 . . . A 86 LYS CD . 17751 1 1048 . 1 1 86 86 LYS CE C 13 41.800 0.050 . 1 . . . A 86 LYS CE . 17751 1 1049 . 1 1 86 86 LYS N N 15 121.700 0.050 . 1 . . . A 86 LYS N . 17751 1 1050 . 1 1 87 87 GLN H H 1 8.150 0.020 . 1 . . . A 87 GLN H . 17751 1 1051 . 1 1 87 87 GLN HA H 1 4.280 0.020 . 1 . . . A 87 GLN HA . 17751 1 1052 . 1 1 87 87 GLN HB2 H 1 2.040 0.020 . 2 . . . A 87 GLN HB2 . 17751 1 1053 . 1 1 87 87 GLN HB3 H 1 1.890 0.020 . 2 . . . A 87 GLN HB3 . 17751 1 1054 . 1 1 87 87 GLN HG2 H 1 2.170 0.020 . 2 . . . A 87 GLN HG2 . 17751 1 1055 . 1 1 87 87 GLN HG3 H 1 2.230 0.020 . 2 . . . A 87 GLN HG3 . 17751 1 1056 . 1 1 87 87 GLN HE21 H 1 6.650 0.020 . 2 . . . A 87 GLN HE21 . 17751 1 1057 . 1 1 87 87 GLN HE22 H 1 7.300 0.020 . 2 . . . A 87 GLN HE22 . 17751 1 1058 . 1 1 87 87 GLN CA C 13 55.800 0.050 . 1 . . . A 87 GLN CA . 17751 1 1059 . 1 1 87 87 GLN CB C 13 29.400 0.050 . 1 . . . A 87 GLN CB . 17751 1 1060 . 1 1 87 87 GLN CG C 13 33.600 0.050 . 1 . . . A 87 GLN CG . 17751 1 1061 . 1 1 87 87 GLN N N 15 120.200 0.050 . 1 . . . A 87 GLN N . 17751 1 1062 . 1 1 87 87 GLN NE2 N 15 111.600 0.050 . 1 . . . A 87 GLN NE2 . 17751 1 1063 . 1 1 88 88 GLY H H 1 8.320 0.020 . 1 . . . A 88 GLY H . 17751 1 1064 . 1 1 88 88 GLY HA2 H 1 3.950 0.020 . 2 . . . A 88 GLY HA2 . 17751 1 1065 . 1 1 88 88 GLY HA3 H 1 3.950 0.020 . 2 . . . A 88 GLY HA3 . 17751 1 1066 . 1 1 88 88 GLY CA C 13 45.500 0.050 . 1 . . . A 88 GLY CA . 17751 1 1067 . 1 1 88 88 GLY N N 15 109.100 0.050 . 1 . . . A 88 GLY N . 17751 1 1068 . 1 1 89 89 ASN H H 1 8.130 0.020 . 1 . . . A 89 ASN H . 17751 1 1069 . 1 1 89 89 ASN HA H 1 4.810 0.020 . 1 . . . A 89 ASN HA . 17751 1 1070 . 1 1 89 89 ASN HB2 H 1 2.920 0.020 . 2 . . . A 89 ASN HB2 . 17751 1 1071 . 1 1 89 89 ASN HB3 H 1 2.920 0.020 . 2 . . . A 89 ASN HB3 . 17751 1 1072 . 1 1 89 89 ASN HD21 H 1 6.960 0.020 . 2 . . . A 89 ASN HD21 . 17751 1 1073 . 1 1 89 89 ASN HD22 H 1 7.600 0.020 . 2 . . . A 89 ASN HD22 . 17751 1 1074 . 1 1 89 89 ASN CA C 13 52.500 0.050 . 1 . . . A 89 ASN CA . 17751 1 1075 . 1 1 89 89 ASN CB C 13 39.300 0.050 . 1 . . . A 89 ASN CB . 17751 1 1076 . 1 1 89 89 ASN N N 15 118.000 0.050 . 1 . . . A 89 ASN N . 17751 1 1077 . 1 1 89 89 ASN ND2 N 15 112.400 0.050 . 1 . . . A 89 ASN ND2 . 17751 1 1078 . 1 1 90 90 ALA H H 1 8.840 0.020 . 1 . . . A 90 ALA H . 17751 1 1079 . 1 1 90 90 ALA HA H 1 4.140 0.020 . 1 . . . A 90 ALA HA . 17751 1 1080 . 1 1 90 90 ALA HB1 H 1 1.530 0.020 . 1 . . . A 90 ALA HB1 . 17751 1 1081 . 1 1 90 90 ALA HB2 H 1 1.530 0.020 . 1 . . . A 90 ALA HB2 . 17751 1 1082 . 1 1 90 90 ALA HB3 H 1 1.530 0.020 . 1 . . . A 90 ALA HB3 . 17751 1 1083 . 1 1 90 90 ALA CA C 13 55.200 0.050 . 1 . . . A 90 ALA CA . 17751 1 1084 . 1 1 90 90 ALA CB C 13 18.900 0.050 . 1 . . . A 90 ALA CB . 17751 1 1085 . 1 1 90 90 ALA N N 15 125.200 0.050 . 1 . . . A 90 ALA N . 17751 1 1086 . 1 1 91 91 GLU H H 1 8.470 0.020 . 1 . . . A 91 GLU H . 17751 1 1087 . 1 1 91 91 GLU HA H 1 4.140 0.020 . 1 . . . A 91 GLU HA . 17751 1 1088 . 1 1 91 91 GLU HB2 H 1 2.110 0.020 . 2 . . . A 91 GLU HB2 . 17751 1 1089 . 1 1 91 91 GLU HB3 H 1 2.110 0.020 . 2 . . . A 91 GLU HB3 . 17751 1 1090 . 1 1 91 91 GLU HG2 H 1 2.360 0.020 . 2 . . . A 91 GLU HG2 . 17751 1 1091 . 1 1 91 91 GLU HG3 H 1 2.360 0.020 . 2 . . . A 91 GLU HG3 . 17751 1 1092 . 1 1 91 91 GLU CA C 13 59.200 0.050 . 1 . . . A 91 GLU CA . 17751 1 1093 . 1 1 91 91 GLU CB C 13 29.200 0.050 . 1 . . . A 91 GLU CB . 17751 1 1094 . 1 1 91 91 GLU CG C 13 36.400 0.050 . 1 . . . A 91 GLU CG . 17751 1 1095 . 1 1 91 91 GLU N N 15 118.300 0.050 . 1 . . . A 91 GLU N . 17751 1 1096 . 1 1 92 92 GLN H H 1 8.180 0.020 . 1 . . . A 92 GLN H . 17751 1 1097 . 1 1 92 92 GLN HA H 1 4.250 0.020 . 1 . . . A 92 GLN HA . 17751 1 1098 . 1 1 92 92 GLN HB2 H 1 2.150 0.020 . 2 . . . A 92 GLN HB2 . 17751 1 1099 . 1 1 92 92 GLN HB3 H 1 2.150 0.020 . 2 . . . A 92 GLN HB3 . 17751 1 1100 . 1 1 92 92 GLN HG2 H 1 2.390 0.020 . 2 . . . A 92 GLN HG2 . 17751 1 1101 . 1 1 92 92 GLN HG3 H 1 2.390 0.020 . 2 . . . A 92 GLN HG3 . 17751 1 1102 . 1 1 92 92 GLN HE21 H 1 6.820 0.020 . 2 . . . A 92 GLN HE21 . 17751 1 1103 . 1 1 92 92 GLN HE22 H 1 7.400 0.020 . 2 . . . A 92 GLN HE22 . 17751 1 1104 . 1 1 92 92 GLN CA C 13 57.800 0.050 . 1 . . . A 92 GLN CA . 17751 1 1105 . 1 1 92 92 GLN CB C 13 28.500 0.050 . 1 . . . A 92 GLN CB . 17751 1 1106 . 1 1 92 92 GLN CG C 13 34.000 0.050 . 1 . . . A 92 GLN CG . 17751 1 1107 . 1 1 92 92 GLN N N 15 119.500 0.050 . 1 . . . A 92 GLN N . 17751 1 1108 . 1 1 92 92 GLN NE2 N 15 111.300 0.050 . 1 . . . A 92 GLN NE2 . 17751 1 1109 . 1 1 93 93 PHE H H 1 8.210 0.020 . 1 . . . A 93 PHE H . 17751 1 1110 . 1 1 93 93 PHE HA H 1 4.490 0.020 . 1 . . . A 93 PHE HA . 17751 1 1111 . 1 1 93 93 PHE HB2 H 1 3.310 0.020 . 2 . . . A 93 PHE HB2 . 17751 1 1112 . 1 1 93 93 PHE HB3 H 1 3.140 0.020 . 2 . . . A 93 PHE HB3 . 17751 1 1113 . 1 1 93 93 PHE HD1 H 1 7.370 0.020 . 3 . . . A 93 PHE HD1 . 17751 1 1114 . 1 1 93 93 PHE HD2 H 1 7.370 0.020 . 3 . . . A 93 PHE HD2 . 17751 1 1115 . 1 1 93 93 PHE HE1 H 1 7.320 0.020 . 3 . . . A 93 PHE HE1 . 17751 1 1116 . 1 1 93 93 PHE HE2 H 1 7.320 0.020 . 3 . . . A 93 PHE HE2 . 17751 1 1117 . 1 1 93 93 PHE HZ H 1 7.260 0.020 . 1 . . . A 93 PHE HZ . 17751 1 1118 . 1 1 93 93 PHE CA C 13 60.200 0.050 . 1 . . . A 93 PHE CA . 17751 1 1119 . 1 1 93 93 PHE CB C 13 39.000 0.050 . 1 . . . A 93 PHE CB . 17751 1 1120 . 1 1 93 93 PHE CD2 C 13 131.500 0.050 . 1 . . . A 93 PHE CD2 . 17751 1 1121 . 1 1 93 93 PHE CE2 C 13 131.300 0.050 . 1 . . . A 93 PHE CE2 . 17751 1 1122 . 1 1 93 93 PHE CZ C 13 129.600 0.050 . 1 . . . A 93 PHE CZ . 17751 1 1123 . 1 1 93 93 PHE N N 15 119.800 0.050 . 1 . . . A 93 PHE N . 17751 1 1124 . 1 1 94 94 ALA H H 1 8.380 0.020 . 1 . . . A 94 ALA H . 17751 1 1125 . 1 1 94 94 ALA HA H 1 3.850 0.020 . 1 . . . A 94 ALA HA . 17751 1 1126 . 1 1 94 94 ALA HB1 H 1 1.450 0.020 . 1 . . . A 94 ALA HB1 . 17751 1 1127 . 1 1 94 94 ALA HB2 H 1 1.450 0.020 . 1 . . . A 94 ALA HB2 . 17751 1 1128 . 1 1 94 94 ALA HB3 H 1 1.450 0.020 . 1 . . . A 94 ALA HB3 . 17751 1 1129 . 1 1 94 94 ALA CA C 13 55.100 0.050 . 1 . . . A 94 ALA CA . 17751 1 1130 . 1 1 94 94 ALA CB C 13 18.000 0.050 . 1 . . . A 94 ALA CB . 17751 1 1131 . 1 1 94 94 ALA N N 15 119.100 0.050 . 1 . . . A 94 ALA N . 17751 1 1132 . 1 1 95 95 SER H H 1 7.760 0.020 . 1 . . . A 95 SER H . 17751 1 1133 . 1 1 95 95 SER HA H 1 4.260 0.020 . 1 . . . A 95 SER HA . 17751 1 1134 . 1 1 95 95 SER HB2 H 1 4.020 0.020 . 2 . . . A 95 SER HB2 . 17751 1 1135 . 1 1 95 95 SER HB3 H 1 4.020 0.020 . 2 . . . A 95 SER HB3 . 17751 1 1136 . 1 1 95 95 SER CA C 13 61.300 0.050 . 1 . . . A 95 SER CA . 17751 1 1137 . 1 1 95 95 SER CB C 13 62.900 0.050 . 1 . . . A 95 SER CB . 17751 1 1138 . 1 1 95 95 SER N N 15 112.500 0.050 . 1 . . . A 95 SER N . 17751 1 1139 . 1 1 96 96 LEU H H 1 7.830 0.020 . 1 . . . A 96 LEU H . 17751 1 1140 . 1 1 96 96 LEU HA H 1 4.190 0.020 . 1 . . . A 96 LEU HA . 17751 1 1141 . 1 1 96 96 LEU HB2 H 1 1.670 0.020 . 2 . . . A 96 LEU HB2 . 17751 1 1142 . 1 1 96 96 LEU HB3 H 1 1.870 0.020 . 2 . . . A 96 LEU HB3 . 17751 1 1143 . 1 1 96 96 LEU HG H 1 1.680 0.020 . 1 . . . A 96 LEU HG . 17751 1 1144 . 1 1 96 96 LEU HD11 H 1 0.640 0.020 . 2 . . . A 96 LEU HD11 . 17751 1 1145 . 1 1 96 96 LEU HD12 H 1 0.640 0.020 . 2 . . . A 96 LEU HD12 . 17751 1 1146 . 1 1 96 96 LEU HD13 H 1 0.640 0.020 . 2 . . . A 96 LEU HD13 . 17751 1 1147 . 1 1 96 96 LEU HD21 H 1 0.680 0.020 . 2 . . . A 96 LEU HD21 . 17751 1 1148 . 1 1 96 96 LEU HD22 H 1 0.680 0.020 . 2 . . . A 96 LEU HD22 . 17751 1 1149 . 1 1 96 96 LEU HD23 H 1 0.680 0.020 . 2 . . . A 96 LEU HD23 . 17751 1 1150 . 1 1 96 96 LEU CA C 13 57.400 0.050 . 1 . . . A 96 LEU CA . 17751 1 1151 . 1 1 96 96 LEU CB C 13 41.600 0.050 . 1 . . . A 96 LEU CB . 17751 1 1152 . 1 1 96 96 LEU CG C 13 26.700 0.050 . 1 . . . A 96 LEU CG . 17751 1 1153 . 1 1 96 96 LEU CD1 C 13 22.900 0.050 . 1 . . . A 96 LEU CD1 . 17751 1 1154 . 1 1 96 96 LEU CD2 C 13 25.100 0.050 . 1 . . . A 96 LEU CD2 . 17751 1 1155 . 1 1 96 96 LEU N N 15 123.700 0.050 . 1 . . . A 96 LEU N . 17751 1 1156 . 1 1 97 97 VAL H H 1 8.190 0.020 . 1 . . . A 97 VAL H . 17751 1 1157 . 1 1 97 97 VAL HA H 1 4.320 0.020 . 1 . . . A 97 VAL HA . 17751 1 1158 . 1 1 97 97 VAL HB H 1 2.020 0.020 . 1 . . . A 97 VAL HB . 17751 1 1159 . 1 1 97 97 VAL HG11 H 1 0.860 0.020 . 2 . . . A 97 VAL HG11 . 17751 1 1160 . 1 1 97 97 VAL HG12 H 1 0.860 0.020 . 2 . . . A 97 VAL HG12 . 17751 1 1161 . 1 1 97 97 VAL HG13 H 1 0.860 0.020 . 2 . . . A 97 VAL HG13 . 17751 1 1162 . 1 1 97 97 VAL HG21 H 1 0.720 0.020 . 2 . . . A 97 VAL HG21 . 17751 1 1163 . 1 1 97 97 VAL HG22 H 1 0.720 0.020 . 2 . . . A 97 VAL HG22 . 17751 1 1164 . 1 1 97 97 VAL HG23 H 1 0.720 0.020 . 2 . . . A 97 VAL HG23 . 17751 1 1165 . 1 1 97 97 VAL CA C 13 65.500 0.050 . 1 . . . A 97 VAL CA . 17751 1 1166 . 1 1 97 97 VAL CB C 13 31.200 0.050 . 1 . . . A 97 VAL CB . 17751 1 1167 . 1 1 97 97 VAL CG1 C 13 22.200 0.050 . 1 . . . A 97 VAL CG1 . 17751 1 1168 . 1 1 97 97 VAL CG2 C 13 22.800 0.050 . 1 . . . A 97 VAL CG2 . 17751 1 1169 . 1 1 97 97 VAL N N 15 121.800 0.050 . 1 . . . A 97 VAL N . 17751 1 1170 . 1 1 98 98 GLN H H 1 8.220 0.020 . 1 . . . A 98 GLN H . 17751 1 1171 . 1 1 98 98 GLN HA H 1 3.970 0.020 . 1 . . . A 98 GLN HA . 17751 1 1172 . 1 1 98 98 GLN HB2 H 1 2.160 0.020 . 2 . . . A 98 GLN HB2 . 17751 1 1173 . 1 1 98 98 GLN HB3 H 1 2.160 0.020 . 2 . . . A 98 GLN HB3 . 17751 1 1174 . 1 1 98 98 GLN HG2 H 1 2.380 0.020 . 2 . . . A 98 GLN HG2 . 17751 1 1175 . 1 1 98 98 GLN HG3 H 1 2.460 0.020 . 2 . . . A 98 GLN HG3 . 17751 1 1176 . 1 1 98 98 GLN HE21 H 1 6.860 0.020 . 2 . . . A 98 GLN HE21 . 17751 1 1177 . 1 1 98 98 GLN HE22 H 1 7.380 0.020 . 2 . . . A 98 GLN HE22 . 17751 1 1178 . 1 1 98 98 GLN CA C 13 59.100 0.050 . 1 . . . A 98 GLN CA . 17751 1 1179 . 1 1 98 98 GLN CB C 13 28.100 0.050 . 1 . . . A 98 GLN CB . 17751 1 1180 . 1 1 98 98 GLN CG C 13 34.000 0.050 . 1 . . . A 98 GLN CG . 17751 1 1181 . 1 1 98 98 GLN N N 15 119.300 0.050 . 1 . . . A 98 GLN N . 17751 1 1182 . 1 1 98 98 GLN NE2 N 15 111.100 0.050 . 1 . . . A 98 GLN NE2 . 17751 1 1183 . 1 1 99 99 GLN H H 1 7.820 0.020 . 1 . . . A 99 GLN H . 17751 1 1184 . 1 1 99 99 GLN HA H 1 4.080 0.020 . 1 . . . A 99 GLN HA . 17751 1 1185 . 1 1 99 99 GLN HB2 H 1 2.200 0.020 . 2 . . . A 99 GLN HB2 . 17751 1 1186 . 1 1 99 99 GLN HB3 H 1 2.200 0.020 . 2 . . . A 99 GLN HB3 . 17751 1 1187 . 1 1 99 99 GLN HG2 H 1 2.430 0.020 . 2 . . . A 99 GLN HG2 . 17751 1 1188 . 1 1 99 99 GLN HG3 H 1 2.560 0.020 . 2 . . . A 99 GLN HG3 . 17751 1 1189 . 1 1 99 99 GLN HE21 H 1 6.870 0.020 . 2 . . . A 99 GLN HE21 . 17751 1 1190 . 1 1 99 99 GLN HE22 H 1 7.400 0.020 . 2 . . . A 99 GLN HE22 . 17751 1 1191 . 1 1 99 99 GLN CA C 13 59.200 0.050 . 1 . . . A 99 GLN CA . 17751 1 1192 . 1 1 99 99 GLN CB C 13 28.400 0.050 . 1 . . . A 99 GLN CB . 17751 1 1193 . 1 1 99 99 GLN CG C 13 34.200 0.050 . 1 . . . A 99 GLN CG . 17751 1 1194 . 1 1 99 99 GLN N N 15 118.600 0.050 . 1 . . . A 99 GLN N . 17751 1 1195 . 1 1 99 99 GLN NE2 N 15 111.300 0.050 . 1 . . . A 99 GLN NE2 . 17751 1 1196 . 1 1 100 100 HIS H H 1 8.380 0.020 . 1 . . . A 100 HIS H . 17751 1 1197 . 1 1 100 100 HIS HA H 1 4.410 0.020 . 1 . . . A 100 HIS HA . 17751 1 1198 . 1 1 100 100 HIS HB2 H 1 3.310 0.020 . 2 . . . A 100 HIS HB2 . 17751 1 1199 . 1 1 100 100 HIS HB3 H 1 3.390 0.020 . 2 . . . A 100 HIS HB3 . 17751 1 1200 . 1 1 100 100 HIS HD1 H 1 11.660 0.020 . 1 . . . A 100 HIS HD1 . 17751 1 1201 . 1 1 100 100 HIS HD2 H 1 7.040 0.020 . 1 . . . A 100 HIS HD2 . 17751 1 1202 . 1 1 100 100 HIS HE1 H 1 7.240 0.020 . 1 . . . A 100 HIS HE1 . 17751 1 1203 . 1 1 100 100 HIS CA C 13 57.600 0.050 . 1 . . . A 100 HIS CA . 17751 1 1204 . 1 1 100 100 HIS CB C 13 31.900 0.050 . 1 . . . A 100 HIS CB . 17751 1 1205 . 1 1 100 100 HIS CD2 C 13 117.800 0.050 . 1 . . . A 100 HIS CD2 . 17751 1 1206 . 1 1 100 100 HIS CE1 C 13 136.200 0.050 . 1 . . . A 100 HIS CE1 . 17751 1 1207 . 1 1 100 100 HIS N N 15 124.100 0.050 . 1 . . . A 100 HIS N . 17751 1 1208 . 1 1 100 100 HIS ND1 N 15 120.500 0.050 . 1 . . . A 100 HIS ND1 . 17751 1 1209 . 1 1 101 101 LEU H H 1 9.210 0.020 . 1 . . . A 101 LEU H . 17751 1 1210 . 1 1 101 101 LEU HA H 1 3.800 0.020 . 1 . . . A 101 LEU HA . 17751 1 1211 . 1 1 101 101 LEU HB2 H 1 1.460 0.020 . 2 . . . A 101 LEU HB2 . 17751 1 1212 . 1 1 101 101 LEU HB3 H 1 1.920 0.020 . 2 . . . A 101 LEU HB3 . 17751 1 1213 . 1 1 101 101 LEU HG H 1 1.470 0.020 . 1 . . . A 101 LEU HG . 17751 1 1214 . 1 1 101 101 LEU HD11 H 1 0.880 0.020 . 2 . . . A 101 LEU HD11 . 17751 1 1215 . 1 1 101 101 LEU HD12 H 1 0.880 0.020 . 2 . . . A 101 LEU HD12 . 17751 1 1216 . 1 1 101 101 LEU HD13 H 1 0.880 0.020 . 2 . . . A 101 LEU HD13 . 17751 1 1217 . 1 1 101 101 LEU HD21 H 1 0.840 0.020 . 2 . . . A 101 LEU HD21 . 17751 1 1218 . 1 1 101 101 LEU HD22 H 1 0.840 0.020 . 2 . . . A 101 LEU HD22 . 17751 1 1219 . 1 1 101 101 LEU HD23 H 1 0.840 0.020 . 2 . . . A 101 LEU HD23 . 17751 1 1220 . 1 1 101 101 LEU CA C 13 59.000 0.050 . 1 . . . A 101 LEU CA . 17751 1 1221 . 1 1 101 101 LEU CB C 13 41.700 0.050 . 1 . . . A 101 LEU CB . 17751 1 1222 . 1 1 101 101 LEU CG C 13 27.500 0.050 . 1 . . . A 101 LEU CG . 17751 1 1223 . 1 1 101 101 LEU CD1 C 13 25.300 0.050 . 1 . . . A 101 LEU CD1 . 17751 1 1224 . 1 1 101 101 LEU CD2 C 13 26.600 0.050 . 1 . . . A 101 LEU CD2 . 17751 1 1225 . 1 1 101 101 LEU N N 15 122.300 0.050 . 1 . . . A 101 LEU N . 17751 1 1226 . 1 1 102 102 GLN H H 1 8.170 0.020 . 1 . . . A 102 GLN H . 17751 1 1227 . 1 1 102 102 GLN HA H 1 4.100 0.020 . 1 . . . A 102 GLN HA . 17751 1 1228 . 1 1 102 102 GLN HB2 H 1 2.200 0.020 . 2 . . . A 102 GLN HB2 . 17751 1 1229 . 1 1 102 102 GLN HB3 H 1 2.100 0.020 . 2 . . . A 102 GLN HB3 . 17751 1 1230 . 1 1 102 102 GLN HG2 H 1 2.600 0.020 . 2 . . . A 102 GLN HG2 . 17751 1 1231 . 1 1 102 102 GLN HG3 H 1 2.420 0.020 . 2 . . . A 102 GLN HG3 . 17751 1 1232 . 1 1 102 102 GLN HE21 H 1 6.870 0.020 . 2 . . . A 102 GLN HE21 . 17751 1 1233 . 1 1 102 102 GLN HE22 H 1 7.440 0.020 . 2 . . . A 102 GLN HE22 . 17751 1 1234 . 1 1 102 102 GLN CA C 13 58.900 0.050 . 1 . . . A 102 GLN CA . 17751 1 1235 . 1 1 102 102 GLN CB C 13 28.400 0.050 . 1 . . . A 102 GLN CB . 17751 1 1236 . 1 1 102 102 GLN CG C 13 34.300 0.050 . 1 . . . A 102 GLN CG . 17751 1 1237 . 1 1 102 102 GLN N N 15 116.800 0.050 . 1 . . . A 102 GLN N . 17751 1 1238 . 1 1 102 102 GLN NE2 N 15 111.100 0.050 . 1 . . . A 102 GLN NE2 . 17751 1 1239 . 1 1 103 103 ASP H H 1 7.890 0.020 . 1 . . . A 103 ASP H . 17751 1 1240 . 1 1 103 103 ASP HA H 1 4.390 0.020 . 1 . . . A 103 ASP HA . 17751 1 1241 . 1 1 103 103 ASP HB2 H 1 2.940 0.020 . 2 . . . A 103 ASP HB2 . 17751 1 1242 . 1 1 103 103 ASP HB3 H 1 2.990 0.020 . 2 . . . A 103 ASP HB3 . 17751 1 1243 . 1 1 103 103 ASP CA C 13 57.900 0.050 . 1 . . . A 103 ASP CA . 17751 1 1244 . 1 1 103 103 ASP CB C 13 40.500 0.050 . 1 . . . A 103 ASP CB . 17751 1 1245 . 1 1 103 103 ASP N N 15 119.700 0.050 . 1 . . . A 103 ASP N . 17751 1 1246 . 1 1 104 104 GLU H H 1 7.850 0.020 . 1 . . . A 104 GLU H . 17751 1 1247 . 1 1 104 104 GLU HA H 1 4.110 0.020 . 1 . . . A 104 GLU HA . 17751 1 1248 . 1 1 104 104 GLU HB2 H 1 1.770 0.020 . 2 . . . A 104 GLU HB2 . 17751 1 1249 . 1 1 104 104 GLU HB3 H 1 2.290 0.020 . 2 . . . A 104 GLU HB3 . 17751 1 1250 . 1 1 104 104 GLU HG2 H 1 2.780 0.020 . 2 . . . A 104 GLU HG2 . 17751 1 1251 . 1 1 104 104 GLU HG3 H 1 2.490 0.020 . 2 . . . A 104 GLU HG3 . 17751 1 1252 . 1 1 104 104 GLU CA C 13 57.700 0.050 . 1 . . . A 104 GLU CA . 17751 1 1253 . 1 1 104 104 GLU CB C 13 28.100 0.050 . 1 . . . A 104 GLU CB . 17751 1 1254 . 1 1 104 104 GLU CG C 13 33.900 0.050 . 1 . . . A 104 GLU CG . 17751 1 1255 . 1 1 104 104 GLU N N 15 114.100 0.050 . 1 . . . A 104 GLU N . 17751 1 1256 . 1 1 105 105 GLN H H 1 8.130 0.020 . 1 . . . A 105 GLN H . 17751 1 1257 . 1 1 105 105 GLN HA H 1 3.940 0.020 . 1 . . . A 105 GLN HA . 17751 1 1258 . 1 1 105 105 GLN HB2 H 1 2.250 0.020 . 2 . . . A 105 GLN HB2 . 17751 1 1259 . 1 1 105 105 GLN HB3 H 1 2.020 0.020 . 2 . . . A 105 GLN HB3 . 17751 1 1260 . 1 1 105 105 GLN HG2 H 1 2.530 0.020 . 2 . . . A 105 GLN HG2 . 17751 1 1261 . 1 1 105 105 GLN HG3 H 1 2.330 0.020 . 2 . . . A 105 GLN HG3 . 17751 1 1262 . 1 1 105 105 GLN HE21 H 1 6.750 0.020 . 2 . . . A 105 GLN HE21 . 17751 1 1263 . 1 1 105 105 GLN HE22 H 1 7.270 0.020 . 2 . . . A 105 GLN HE22 . 17751 1 1264 . 1 1 105 105 GLN CA C 13 59.100 0.050 . 1 . . . A 105 GLN CA . 17751 1 1265 . 1 1 105 105 GLN CB C 13 27.800 0.050 . 1 . . . A 105 GLN CB . 17751 1 1266 . 1 1 105 105 GLN CG C 13 34.400 0.050 . 1 . . . A 105 GLN CG . 17751 1 1267 . 1 1 105 105 GLN N N 15 115.300 0.050 . 1 . . . A 105 GLN N . 17751 1 1268 . 1 1 105 105 GLN NE2 N 15 109.800 0.050 . 1 . . . A 105 GLN NE2 . 17751 1 1269 . 1 1 106 106 ARG H H 1 7.830 0.020 . 1 . . . A 106 ARG H . 17751 1 1270 . 1 1 106 106 ARG HA H 1 4.160 0.020 . 1 . . . A 106 ARG HA . 17751 1 1271 . 1 1 106 106 ARG HB2 H 1 2.190 0.020 . 2 . . . A 106 ARG HB2 . 17751 1 1272 . 1 1 106 106 ARG HB3 H 1 2.190 0.020 . 2 . . . A 106 ARG HB3 . 17751 1 1273 . 1 1 106 106 ARG HG2 H 1 1.770 0.020 . 2 . . . A 106 ARG HG2 . 17751 1 1274 . 1 1 106 106 ARG HG3 H 1 1.910 0.020 . 2 . . . A 106 ARG HG3 . 17751 1 1275 . 1 1 106 106 ARG HD2 H 1 3.330 0.020 . 2 . . . A 106 ARG HD2 . 17751 1 1276 . 1 1 106 106 ARG HD3 H 1 3.370 0.020 . 2 . . . A 106 ARG HD3 . 17751 1 1277 . 1 1 106 106 ARG CA C 13 59.300 0.050 . 1 . . . A 106 ARG CA . 17751 1 1278 . 1 1 106 106 ARG CB C 13 29.300 0.050 . 1 . . . A 106 ARG CB . 17751 1 1279 . 1 1 106 106 ARG CG C 13 27.700 0.050 . 1 . . . A 106 ARG CG . 17751 1 1280 . 1 1 106 106 ARG CD C 13 43.700 0.050 . 1 . . . A 106 ARG CD . 17751 1 1281 . 1 1 106 106 ARG N N 15 121.600 0.050 . 1 . . . A 106 ARG N . 17751 1 1282 . 1 1 107 107 HIS H H 1 8.170 0.020 . 1 . . . A 107 HIS H . 17751 1 1283 . 1 1 107 107 HIS HA H 1 4.410 0.020 . 1 . . . A 107 HIS HA . 17751 1 1284 . 1 1 107 107 HIS HB2 H 1 3.690 0.020 . 2 . . . A 107 HIS HB2 . 17751 1 1285 . 1 1 107 107 HIS HB3 H 1 3.330 0.020 . 2 . . . A 107 HIS HB3 . 17751 1 1286 . 1 1 107 107 HIS HD2 H 1 6.740 0.020 . 1 . . . A 107 HIS HD2 . 17751 1 1287 . 1 1 107 107 HIS HE1 H 1 7.430 0.020 . 1 . . . A 107 HIS HE1 . 17751 1 1288 . 1 1 107 107 HIS CA C 13 58.100 0.050 . 1 . . . A 107 HIS CA . 17751 1 1289 . 1 1 107 107 HIS CB C 13 30.500 0.050 . 1 . . . A 107 HIS CB . 17751 1 1290 . 1 1 107 107 HIS CD2 C 13 126.000 0.050 . 1 . . . A 107 HIS CD2 . 17751 1 1291 . 1 1 107 107 HIS CE1 C 13 145.800 0.050 . 1 . . . A 107 HIS CE1 . 17751 1 1292 . 1 1 107 107 HIS N N 15 122.000 0.050 . 1 . . . A 107 HIS N . 17751 1 1293 . 1 1 108 108 VAL H H 1 7.850 0.020 . 1 . . . A 108 VAL H . 17751 1 1294 . 1 1 108 108 VAL HA H 1 3.470 0.020 . 1 . . . A 108 VAL HA . 17751 1 1295 . 1 1 108 108 VAL HB H 1 2.220 0.020 . 1 . . . A 108 VAL HB . 17751 1 1296 . 1 1 108 108 VAL HG11 H 1 0.900 0.020 . 2 . . . A 108 VAL HG11 . 17751 1 1297 . 1 1 108 108 VAL HG12 H 1 0.900 0.020 . 2 . . . A 108 VAL HG12 . 17751 1 1298 . 1 1 108 108 VAL HG13 H 1 0.900 0.020 . 2 . . . A 108 VAL HG13 . 17751 1 1299 . 1 1 108 108 VAL HG21 H 1 1.060 0.020 . 2 . . . A 108 VAL HG21 . 17751 1 1300 . 1 1 108 108 VAL HG22 H 1 1.060 0.020 . 2 . . . A 108 VAL HG22 . 17751 1 1301 . 1 1 108 108 VAL HG23 H 1 1.060 0.020 . 2 . . . A 108 VAL HG23 . 17751 1 1302 . 1 1 108 108 VAL CA C 13 67.200 0.050 . 1 . . . A 108 VAL CA . 17751 1 1303 . 1 1 108 108 VAL CB C 13 31.700 0.050 . 1 . . . A 108 VAL CB . 17751 1 1304 . 1 1 108 108 VAL CG1 C 13 21.100 0.050 . 1 . . . A 108 VAL CG1 . 17751 1 1305 . 1 1 108 108 VAL CG2 C 13 23.800 0.050 . 1 . . . A 108 VAL CG2 . 17751 1 1306 . 1 1 108 108 VAL N N 15 116.600 0.050 . 1 . . . A 108 VAL N . 17751 1 1307 . 1 1 109 109 GLU H H 1 7.690 0.020 . 1 . . . A 109 GLU H . 17751 1 1308 . 1 1 109 109 GLU HA H 1 4.070 0.020 . 1 . . . A 109 GLU HA . 17751 1 1309 . 1 1 109 109 GLU HB2 H 1 2.250 0.020 . 2 . . . A 109 GLU HB2 . 17751 1 1310 . 1 1 109 109 GLU HB3 H 1 2.170 0.020 . 2 . . . A 109 GLU HB3 . 17751 1 1311 . 1 1 109 109 GLU HG2 H 1 2.500 0.020 . 2 . . . A 109 GLU HG2 . 17751 1 1312 . 1 1 109 109 GLU HG3 H 1 2.390 0.020 . 2 . . . A 109 GLU HG3 . 17751 1 1313 . 1 1 109 109 GLU CA C 13 58.900 0.050 . 1 . . . A 109 GLU CA . 17751 1 1314 . 1 1 109 109 GLU CB C 13 29.400 0.050 . 1 . . . A 109 GLU CB . 17751 1 1315 . 1 1 109 109 GLU CG C 13 35.800 0.050 . 1 . . . A 109 GLU CG . 17751 1 1316 . 1 1 109 109 GLU N N 15 117.000 0.050 . 1 . . . A 109 GLU N . 17751 1 1317 . 1 1 110 110 GLU H H 1 8.370 0.020 . 1 . . . A 110 GLU H . 17751 1 1318 . 1 1 110 110 GLU HA H 1 4.150 0.020 . 1 . . . A 110 GLU HA . 17751 1 1319 . 1 1 110 110 GLU HB2 H 1 2.260 0.020 . 2 . . . A 110 GLU HB2 . 17751 1 1320 . 1 1 110 110 GLU HB3 H 1 2.120 0.020 . 2 . . . A 110 GLU HB3 . 17751 1 1321 . 1 1 110 110 GLU HG2 H 1 2.330 0.020 . 2 . . . A 110 GLU HG2 . 17751 1 1322 . 1 1 110 110 GLU HG3 H 1 2.490 0.020 . 2 . . . A 110 GLU HG3 . 17751 1 1323 . 1 1 110 110 GLU CA C 13 58.800 0.050 . 1 . . . A 110 GLU CA . 17751 1 1324 . 1 1 110 110 GLU CB C 13 29.500 0.050 . 1 . . . A 110 GLU CB . 17751 1 1325 . 1 1 110 110 GLU CG C 13 35.900 0.050 . 1 . . . A 110 GLU CG . 17751 1 1326 . 1 1 110 110 GLU N N 15 117.900 0.050 . 1 . . . A 110 GLU N . 17751 1 1327 . 1 1 111 111 ILE H H 1 8.350 0.020 . 1 . . . A 111 ILE H . 17751 1 1328 . 1 1 111 111 ILE HA H 1 4.030 0.020 . 1 . . . A 111 ILE HA . 17751 1 1329 . 1 1 111 111 ILE HB H 1 2.110 0.020 . 1 . . . A 111 ILE HB . 17751 1 1330 . 1 1 111 111 ILE HG12 H 1 1.720 0.020 . 2 . . . A 111 ILE HG12 . 17751 1 1331 . 1 1 111 111 ILE HG13 H 1 1.640 0.020 . 2 . . . A 111 ILE HG13 . 17751 1 1332 . 1 1 111 111 ILE HG21 H 1 1.040 0.020 . 1 . . . A 111 ILE HG21 . 17751 1 1333 . 1 1 111 111 ILE HG22 H 1 1.040 0.020 . 1 . . . A 111 ILE HG22 . 17751 1 1334 . 1 1 111 111 ILE HG23 H 1 1.040 0.020 . 1 . . . A 111 ILE HG23 . 17751 1 1335 . 1 1 111 111 ILE HD11 H 1 0.900 0.020 . 1 . . . A 111 ILE HD11 . 17751 1 1336 . 1 1 111 111 ILE HD12 H 1 0.900 0.020 . 1 . . . A 111 ILE HD12 . 17751 1 1337 . 1 1 111 111 ILE HD13 H 1 0.900 0.020 . 1 . . . A 111 ILE HD13 . 17751 1 1338 . 1 1 111 111 ILE CA C 13 63.000 0.050 . 1 . . . A 111 ILE CA . 17751 1 1339 . 1 1 111 111 ILE CB C 13 37.600 0.050 . 1 . . . A 111 ILE CB . 17751 1 1340 . 1 1 111 111 ILE CG1 C 13 27.100 0.050 . 1 . . . A 111 ILE CG1 . 17751 1 1341 . 1 1 111 111 ILE CG2 C 13 18.700 0.050 . 1 . . . A 111 ILE CG2 . 17751 1 1342 . 1 1 111 111 ILE CD1 C 13 13.000 0.050 . 1 . . . A 111 ILE CD1 . 17751 1 1343 . 1 1 111 111 ILE N N 15 117.300 0.050 . 1 . . . A 111 ILE N . 17751 1 1344 . 1 1 112 112 GLU H H 1 8.070 0.020 . 1 . . . A 112 GLU H . 17751 1 1345 . 1 1 112 112 GLU HA H 1 4.150 0.020 . 1 . . . A 112 GLU HA . 17751 1 1346 . 1 1 112 112 GLU HB2 H 1 2.150 0.020 . 2 . . . A 112 GLU HB2 . 17751 1 1347 . 1 1 112 112 GLU HB3 H 1 2.070 0.020 . 2 . . . A 112 GLU HB3 . 17751 1 1348 . 1 1 112 112 GLU HG2 H 1 2.230 0.020 . 2 . . . A 112 GLU HG2 . 17751 1 1349 . 1 1 112 112 GLU HG3 H 1 2.530 0.020 . 2 . . . A 112 GLU HG3 . 17751 1 1350 . 1 1 112 112 GLU CA C 13 57.800 0.050 . 1 . . . A 112 GLU CA . 17751 1 1351 . 1 1 112 112 GLU CB C 13 30.200 0.050 . 1 . . . A 112 GLU CB . 17751 1 1352 . 1 1 112 112 GLU CG C 13 37.000 0.050 . 1 . . . A 112 GLU CG . 17751 1 1353 . 1 1 112 112 GLU N N 15 118.500 0.050 . 1 . . . A 112 GLU N . 17751 1 1354 . 1 1 113 113 LYS H H 1 7.450 0.020 . 1 . . . A 113 LYS H . 17751 1 1355 . 1 1 113 113 LYS HA H 1 4.190 0.020 . 1 . . . A 113 LYS HA . 17751 1 1356 . 1 1 113 113 LYS HB2 H 1 1.940 0.020 . 2 . . . A 113 LYS HB2 . 17751 1 1357 . 1 1 113 113 LYS HB3 H 1 1.940 0.020 . 2 . . . A 113 LYS HB3 . 17751 1 1358 . 1 1 113 113 LYS HG2 H 1 1.670 0.020 . 2 . . . A 113 LYS HG2 . 17751 1 1359 . 1 1 113 113 LYS HG3 H 1 1.520 0.020 . 2 . . . A 113 LYS HG3 . 17751 1 1360 . 1 1 113 113 LYS HD2 H 1 1.680 0.020 . 2 . . . A 113 LYS HD2 . 17751 1 1361 . 1 1 113 113 LYS HD3 H 1 1.680 0.020 . 2 . . . A 113 LYS HD3 . 17751 1 1362 . 1 1 113 113 LYS HE2 H 1 2.990 0.020 . 2 . . . A 113 LYS HE2 . 17751 1 1363 . 1 1 113 113 LYS HE3 H 1 2.990 0.020 . 2 . . . A 113 LYS HE3 . 17751 1 1364 . 1 1 113 113 LYS CA C 13 57.600 0.050 . 1 . . . A 113 LYS CA . 17751 1 1365 . 1 1 113 113 LYS CB C 13 33.000 0.050 . 1 . . . A 113 LYS CB . 17751 1 1366 . 1 1 113 113 LYS CG C 13 25.000 0.050 . 1 . . . A 113 LYS CG . 17751 1 1367 . 1 1 113 113 LYS CD C 13 28.800 0.050 . 1 . . . A 113 LYS CD . 17751 1 1368 . 1 1 113 113 LYS CE C 13 41.800 0.050 . 1 . . . A 113 LYS CE . 17751 1 1369 . 1 1 113 113 LYS N N 15 119.300 0.050 . 1 . . . A 113 LYS N . 17751 1 1370 . 1 1 114 114 LYS H H 1 8.260 0.020 . 1 . . . A 114 LYS H . 17751 1 1371 . 1 1 114 114 LYS HA H 1 4.410 0.020 . 1 . . . A 114 LYS HA . 17751 1 1372 . 1 1 114 114 LYS HB2 H 1 1.950 0.020 . 2 . . . A 114 LYS HB2 . 17751 1 1373 . 1 1 114 114 LYS HB3 H 1 1.840 0.020 . 2 . . . A 114 LYS HB3 . 17751 1 1374 . 1 1 114 114 LYS HG2 H 1 1.530 0.020 . 2 . . . A 114 LYS HG2 . 17751 1 1375 . 1 1 114 114 LYS HG3 H 1 1.530 0.020 . 2 . . . A 114 LYS HG3 . 17751 1 1376 . 1 1 114 114 LYS HD2 H 1 1.700 0.020 . 2 . . . A 114 LYS HD2 . 17751 1 1377 . 1 1 114 114 LYS HD3 H 1 1.700 0.020 . 2 . . . A 114 LYS HD3 . 17751 1 1378 . 1 1 114 114 LYS HE2 H 1 2.980 0.020 . 2 . . . A 114 LYS HE2 . 17751 1 1379 . 1 1 114 114 LYS HE3 H 1 2.980 0.020 . 2 . . . A 114 LYS HE3 . 17751 1 1380 . 1 1 114 114 LYS CA C 13 55.900 0.050 . 1 . . . A 114 LYS CA . 17751 1 1381 . 1 1 114 114 LYS CB C 13 32.800 0.050 . 1 . . . A 114 LYS CB . 17751 1 1382 . 1 1 114 114 LYS CG C 13 24.800 0.050 . 1 . . . A 114 LYS CG . 17751 1 1383 . 1 1 114 114 LYS CD C 13 28.800 0.050 . 1 . . . A 114 LYS CD . 17751 1 1384 . 1 1 114 114 LYS CE C 13 41.800 0.050 . 1 . . . A 114 LYS CE . 17751 1 1385 . 1 1 114 114 LYS N N 15 121.900 0.050 . 1 . . . A 114 LYS N . 17751 1 1386 . 1 1 115 115 ASN H H 1 7.920 0.020 . 1 . . . A 115 ASN H . 17751 1 1387 . 1 1 115 115 ASN HA H 1 4.490 0.020 . 1 . . . A 115 ASN HA . 17751 1 1388 . 1 1 115 115 ASN HB2 H 1 2.720 0.020 . 2 . . . A 115 ASN HB2 . 17751 1 1389 . 1 1 115 115 ASN HB3 H 1 2.810 0.020 . 2 . . . A 115 ASN HB3 . 17751 1 1390 . 1 1 115 115 ASN HD21 H 1 6.860 0.020 . 2 . . . A 115 ASN HD21 . 17751 1 1391 . 1 1 115 115 ASN HD22 H 1 7.580 0.020 . 2 . . . A 115 ASN HD22 . 17751 1 1392 . 1 1 115 115 ASN CA C 13 54.700 0.050 . 1 . . . A 115 ASN CA . 17751 1 1393 . 1 1 115 115 ASN CB C 13 40.500 0.050 . 1 . . . A 115 ASN CB . 17751 1 1394 . 1 1 115 115 ASN N N 15 124.300 0.050 . 1 . . . A 115 ASN N . 17751 1 1395 . 1 1 115 115 ASN ND2 N 15 112.800 0.050 . 1 . . . A 115 ASN ND2 . 17751 1 stop_ save_