data_18372 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18372 _Entry.Title ; SOLUTION NMR STRUCTURE OF DE NOVO DESIGNED PROTEIN, P-LOOP NTPASE FOLD, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET OR137 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-03-30 _Entry.Accession_date 2012-03-30 _Entry.Last_release_date 2012-05-01 _Entry.Original_release_date 2012-05-01 _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 NMR' _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 Gaohua Liu . . . 18372 2 Nobuyasu Koga . . . 18372 3 Rie Koga . . . 18372 4 Rong Xiao . . . 18372 5 Hsiau-Wei Lee . . . 18372 6 Haleema Janjua . . . 18372 7 Eitan Kohan . . . 18372 8 Thomas Acton . B. . 18372 9 John Everett . K. . 18372 10 David Baker . . . 18372 11 Gaetano Montelione . T. . 18372 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 PSI:Biology 'Northeast Structural Genomics Consortium' . 18372 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG)' . 18372 'Protein NMR' . 18372 'Protein Structure Initiative' . 18372 PSI-Biology . 18372 'Structural Genomics' . 18372 'Target OR137' . 18372 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18372 RDCs 1 18372 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 612 18372 '15N chemical shifts' 141 18372 '1H chemical shifts' 1021 18372 'residual dipolar couplings' 100 18372 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 . . 2012-05-01 2012-03-30 original author . 18372 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LRH 'BMRB Entry Tracking System' 18372 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 18372 _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 NMR STRUCTURE OF DE NOVO DESIGNED PROTEIN, P-LOOP NTPASE FOLD, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET OR137' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'To be published' _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 Gaohua Liu . . . 18372 1 2 Nobuyasu Koga . . . 18372 1 3 Rie Koga . . . 18372 1 4 Rong Xiao . . . 18372 1 5 Hsiau-Wei Lee . . . 18372 1 6 Haleema Janjua . . . 18372 1 7 Eitan Kohan . . . 18372 1 8 Thomas Acton . B. . 18372 1 9 John Everett . K. . 18372 1 10 David Baker . . . 18372 1 11 Gaetano Montelione . T. . 18372 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18372 _Assembly.ID 1 _Assembly.Name OR137 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 OR137 1 $OR137 A . yes native no no . . . 18372 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_OR137 _Entity.Sf_category entity _Entity.Sf_framecode OR137 _Entity.Entry_ID 18372 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name OR137 _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 ; MKELILINTNNDELIKKIKK EVENQGYQVRDVNDSDELKK EMKKLAEEKNFEKILIISND KQLLKEMLELISKLGYKVFL LLQDQDENELEEFKRKIESQ GYEVRKVTDDEEALKIVREF MQKAGSLEHHHHHH ; _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 134 _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 16047.533 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _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 no BMRB 17613 . OR36 . . . . . 100.00 134 99.25 99.25 1.83e-84 . . . . 18372 1 no BMRB 18337 . OR136 . . . . . 96.27 134 97.67 97.67 2.10e-76 . . . . 18372 1 no PDB 2LCI . "Solution Nmr Structure Of De Novo Designed Protein, P-Loop Ntpase Fold, Northeast Structural Genomics Consortium Target Or36 (C" . . . . . 100.00 134 99.25 99.25 1.83e-84 . . . . 18372 1 no PDB 2LR0 . "Solution Nmr Structure Of De Novo Designed Protein, P-Loop Ntpase Fold, Northeast Structural Genomics Consortium Target Or136" . . . . . 96.27 134 97.67 97.67 2.10e-76 . . . . 18372 1 no PDB 2LRH . "Solution Nmr Structure Of De Novo Designed Protein, P-Loop Ntpase Fold, Northeast Structural Genomics Consortium Target Or137" . . . . . 100.00 134 100.00 100.00 9.30e-86 . . . . 18372 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 . MET . 18372 1 2 . LYS . 18372 1 3 . GLU . 18372 1 4 . LEU . 18372 1 5 . ILE . 18372 1 6 . LEU . 18372 1 7 . ILE . 18372 1 8 . ASN . 18372 1 9 . THR . 18372 1 10 . ASN . 18372 1 11 . ASN . 18372 1 12 . ASP . 18372 1 13 . GLU . 18372 1 14 . LEU . 18372 1 15 . ILE . 18372 1 16 . LYS . 18372 1 17 . LYS . 18372 1 18 . ILE . 18372 1 19 . LYS . 18372 1 20 . LYS . 18372 1 21 . GLU . 18372 1 22 . VAL . 18372 1 23 . GLU . 18372 1 24 . ASN . 18372 1 25 . GLN . 18372 1 26 . GLY . 18372 1 27 . TYR . 18372 1 28 . GLN . 18372 1 29 . VAL . 18372 1 30 . ARG . 18372 1 31 . ASP . 18372 1 32 . VAL . 18372 1 33 . ASN . 18372 1 34 . ASP . 18372 1 35 . SER . 18372 1 36 . ASP . 18372 1 37 . GLU . 18372 1 38 . LEU . 18372 1 39 . LYS . 18372 1 40 . LYS . 18372 1 41 . GLU . 18372 1 42 . MET . 18372 1 43 . LYS . 18372 1 44 . LYS . 18372 1 45 . LEU . 18372 1 46 . ALA . 18372 1 47 . GLU . 18372 1 48 . GLU . 18372 1 49 . LYS . 18372 1 50 . ASN . 18372 1 51 . PHE . 18372 1 52 . GLU . 18372 1 53 . LYS . 18372 1 54 . ILE . 18372 1 55 . LEU . 18372 1 56 . ILE . 18372 1 57 . ILE . 18372 1 58 . SER . 18372 1 59 . ASN . 18372 1 60 . ASP . 18372 1 61 . LYS . 18372 1 62 . GLN . 18372 1 63 . LEU . 18372 1 64 . LEU . 18372 1 65 . LYS . 18372 1 66 . GLU . 18372 1 67 . MET . 18372 1 68 . LEU . 18372 1 69 . GLU . 18372 1 70 . LEU . 18372 1 71 . ILE . 18372 1 72 . SER . 18372 1 73 . LYS . 18372 1 74 . LEU . 18372 1 75 . GLY . 18372 1 76 . TYR . 18372 1 77 . LYS . 18372 1 78 . VAL . 18372 1 79 . PHE . 18372 1 80 . LEU . 18372 1 81 . LEU . 18372 1 82 . LEU . 18372 1 83 . GLN . 18372 1 84 . ASP . 18372 1 85 . GLN . 18372 1 86 . ASP . 18372 1 87 . GLU . 18372 1 88 . ASN . 18372 1 89 . GLU . 18372 1 90 . LEU . 18372 1 91 . GLU . 18372 1 92 . GLU . 18372 1 93 . PHE . 18372 1 94 . LYS . 18372 1 95 . ARG . 18372 1 96 . LYS . 18372 1 97 . ILE . 18372 1 98 . GLU . 18372 1 99 . SER . 18372 1 100 . GLN . 18372 1 101 . GLY . 18372 1 102 . TYR . 18372 1 103 . GLU . 18372 1 104 . VAL . 18372 1 105 . ARG . 18372 1 106 . LYS . 18372 1 107 . VAL . 18372 1 108 . THR . 18372 1 109 . ASP . 18372 1 110 . ASP . 18372 1 111 . GLU . 18372 1 112 . GLU . 18372 1 113 . ALA . 18372 1 114 . LEU . 18372 1 115 . LYS . 18372 1 116 . ILE . 18372 1 117 . VAL . 18372 1 118 . ARG . 18372 1 119 . GLU . 18372 1 120 . PHE . 18372 1 121 . MET . 18372 1 122 . GLN . 18372 1 123 . LYS . 18372 1 124 . ALA . 18372 1 125 . GLY . 18372 1 126 . SER . 18372 1 127 . LEU . 18372 1 128 . GLU . 18372 1 129 . HIS . 18372 1 130 . HIS . 18372 1 131 . HIS . 18372 1 132 . HIS . 18372 1 133 . HIS . 18372 1 134 . HIS . 18372 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 18372 1 . LYS 2 2 18372 1 . GLU 3 3 18372 1 . LEU 4 4 18372 1 . ILE 5 5 18372 1 . LEU 6 6 18372 1 . ILE 7 7 18372 1 . ASN 8 8 18372 1 . THR 9 9 18372 1 . ASN 10 10 18372 1 . ASN 11 11 18372 1 . ASP 12 12 18372 1 . GLU 13 13 18372 1 . LEU 14 14 18372 1 . ILE 15 15 18372 1 . LYS 16 16 18372 1 . LYS 17 17 18372 1 . ILE 18 18 18372 1 . LYS 19 19 18372 1 . LYS 20 20 18372 1 . GLU 21 21 18372 1 . VAL 22 22 18372 1 . GLU 23 23 18372 1 . ASN 24 24 18372 1 . GLN 25 25 18372 1 . GLY 26 26 18372 1 . TYR 27 27 18372 1 . GLN 28 28 18372 1 . VAL 29 29 18372 1 . ARG 30 30 18372 1 . ASP 31 31 18372 1 . VAL 32 32 18372 1 . ASN 33 33 18372 1 . ASP 34 34 18372 1 . SER 35 35 18372 1 . ASP 36 36 18372 1 . GLU 37 37 18372 1 . LEU 38 38 18372 1 . LYS 39 39 18372 1 . LYS 40 40 18372 1 . GLU 41 41 18372 1 . MET 42 42 18372 1 . LYS 43 43 18372 1 . LYS 44 44 18372 1 . LEU 45 45 18372 1 . ALA 46 46 18372 1 . GLU 47 47 18372 1 . GLU 48 48 18372 1 . LYS 49 49 18372 1 . ASN 50 50 18372 1 . PHE 51 51 18372 1 . GLU 52 52 18372 1 . LYS 53 53 18372 1 . ILE 54 54 18372 1 . LEU 55 55 18372 1 . ILE 56 56 18372 1 . ILE 57 57 18372 1 . SER 58 58 18372 1 . ASN 59 59 18372 1 . ASP 60 60 18372 1 . LYS 61 61 18372 1 . GLN 62 62 18372 1 . LEU 63 63 18372 1 . LEU 64 64 18372 1 . LYS 65 65 18372 1 . GLU 66 66 18372 1 . MET 67 67 18372 1 . LEU 68 68 18372 1 . GLU 69 69 18372 1 . LEU 70 70 18372 1 . ILE 71 71 18372 1 . SER 72 72 18372 1 . LYS 73 73 18372 1 . LEU 74 74 18372 1 . GLY 75 75 18372 1 . TYR 76 76 18372 1 . LYS 77 77 18372 1 . VAL 78 78 18372 1 . PHE 79 79 18372 1 . LEU 80 80 18372 1 . LEU 81 81 18372 1 . LEU 82 82 18372 1 . GLN 83 83 18372 1 . ASP 84 84 18372 1 . GLN 85 85 18372 1 . ASP 86 86 18372 1 . GLU 87 87 18372 1 . ASN 88 88 18372 1 . GLU 89 89 18372 1 . LEU 90 90 18372 1 . GLU 91 91 18372 1 . GLU 92 92 18372 1 . PHE 93 93 18372 1 . LYS 94 94 18372 1 . ARG 95 95 18372 1 . LYS 96 96 18372 1 . ILE 97 97 18372 1 . GLU 98 98 18372 1 . SER 99 99 18372 1 . GLN 100 100 18372 1 . GLY 101 101 18372 1 . TYR 102 102 18372 1 . GLU 103 103 18372 1 . VAL 104 104 18372 1 . ARG 105 105 18372 1 . LYS 106 106 18372 1 . VAL 107 107 18372 1 . THR 108 108 18372 1 . ASP 109 109 18372 1 . ASP 110 110 18372 1 . GLU 111 111 18372 1 . GLU 112 112 18372 1 . ALA 113 113 18372 1 . LEU 114 114 18372 1 . LYS 115 115 18372 1 . ILE 116 116 18372 1 . VAL 117 117 18372 1 . ARG 118 118 18372 1 . GLU 119 119 18372 1 . PHE 120 120 18372 1 . MET 121 121 18372 1 . GLN 122 122 18372 1 . LYS 123 123 18372 1 . ALA 124 124 18372 1 . GLY 125 125 18372 1 . SER 126 126 18372 1 . LEU 127 127 18372 1 . GLU 128 128 18372 1 . HIS 129 129 18372 1 . HIS 130 130 18372 1 . HIS 131 131 18372 1 . HIS 132 132 18372 1 . HIS 133 133 18372 1 . HIS 134 134 18372 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 18372 _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 $OR137 . . organism . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 18372 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 18372 _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 $OR137 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3)pMgK . . . . . . . . . . . . . . . pET29b+ . . . . . . 18372 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_NC _Sample.Sf_category sample _Sample.Sf_framecode sample_NC _Sample.Entry_ID 18372 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.19418 mM OR137.001, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 OR137.001 '[U-100% 13C; U-100% 15N]' . . 1 $OR137 . . 1.19418 . . mM . . . . 18372 1 2 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 18372 1 3 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 18372 1 4 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 18372 1 5 'Tris-HCl pH 7.5' 'natural abundance' . . . . . . 10 . . mM . . . . 18372 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18372 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18372 1 stop_ save_ save_sample_NC5 _Sample.Sf_category sample _Sample.Sf_framecode sample_NC5 _Sample.Entry_ID 18372 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.19418 mM OR137.006, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 OR137.006 '[U-5% 13C; U-100% 15N]' . . 1 $OR137 . . 1.19418 . . mM . . . . 18372 2 2 NaCl . . . . . . . 100 . . mM . . . . 18372 2 3 DTT . . . . . . . 5 . . mM . . . . 18372 2 4 NaN3 . . . . . . . 0.02 . . % . . . . 18372 2 5 'Tris-HCl pH 7.5' . . . . . . . 10 . . mM . . . . 18372 2 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18372 2 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18372 2 stop_ save_ save_sample_NC5_RDC _Sample.Sf_category sample _Sample.Sf_framecode sample_NC5_RDC _Sample.Entry_ID 18372 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.19418 mM OR137.008, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 OR137.008 '[U-5% 13C; U-100% 15N]' . . 1 $OR137 . . 1.19418 . . mM . . . . 18372 3 2 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 18372 3 3 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 18372 3 4 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 18372 3 5 'Tris-HCl pH 7.5' 'natural abundance' . . . . . . 10 . . mM . . . . 18372 3 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18372 3 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18372 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18372 _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 pH 6.5 . pH 18372 1 pressure 1 . atm 18372 1 temperature 298 . K 18372 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 18372 _Software.ID 1 _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' . . 18372 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'refinemen,structure solution,geometry optimization' 18372 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18372 _Software.ID 2 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18372 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'refinement,geometry optimization,structure solution' 18372 2 stop_ save_ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 18372 _Software.ID 3 _Software.Name AutoStruct _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Huang, Tejero, Powers and Montelione' . . 18372 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis,refinement' 18372 3 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 18372 _Software.ID 4 _Software.Name AutoAssign _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 18372 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis,chemical shift assignment' 18372 4 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18372 _Software.ID 5 _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' . . 18372 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18372 5 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 18372 _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.' . . 18372 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis,peak picking,chemical shift assignment' 18372 6 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18372 _Software.ID 7 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18372 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18372 7 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 18372 _Software.ID 8 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 18372 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18372 8 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18372 _Software.ID 9 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18372 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18372 9 stop_ save_ save_TALOS+ _Software.Sf_category software _Software.Sf_framecode TALOS+ _Software.Entry_ID 18372 _Software.ID 10 _Software.Name TALOS+ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Shen, Cornilescu, Delaglio and Bax' . . 18372 10 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 18372 10 stop_ save_ save_PALES _Software.Sf_category software _Software.Sf_framecode PALES _Software.Entry_ID 18372 _Software.ID 11 _Software.Name PALES _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'PALES (Zweckstetter, Bax)' . . 18372 11 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 18372 11 stop_ save_ save_REDCAT _Software.Sf_category software _Software.Sf_framecode REDCAT _Software.Entry_ID 18372 _Software.ID 12 _Software.Name REDCAT _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Valafar, Prestegard' . . 18372 12 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 18372 12 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 18372 _Software.ID 13 _Software.Name PSVS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya, Montelione' . . 18372 13 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure validation' 18372 13 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 18372 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18372 _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_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 18372 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details 'for RDC measurement' _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 18372 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . 1 $citations 18372 1 2 spectrometer_2 Varian INOVA . 600 . 1 $citations 18372 1 3 spectrometer_3 Varian INOVA . 600 'for RDC measurement' . . 18372 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 18372 _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' yes . . . . . . . . . . 1 $sample_NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18372 1 2 '2D 1H-13C HSQC' yes . . . . . . . . . . 1 $sample_NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18372 1 3 '3D HNCO' yes . . . . . . . . . . 1 $sample_NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18372 1 4 '3D CBCA(CO)NH' yes . . . . . . . . . . 1 $sample_NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18372 1 5 '3D HNCACB' yes . . . . . . . . . . 1 $sample_NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18372 1 6 '3D 1H-13C arom NOESY' yes . . . . . . . . . . 1 $sample_NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18372 1 7 '3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY' yes . . . . . . . . . . 1 $sample_NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18372 1 8 '2D 1H-13C HSQC' yes . . . . . . . . . . 2 $sample_NC5 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18372 1 9 '2D 1H-15N HSQC' yes . . . . . . . . . . 3 $sample_NC5_RDC isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 18372 1 10 '3D HCCH-TOCSY' yes . . . . . . . . . . 1 $sample_NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18372 1 stop_ save_ save_NMR_spectrometer_expt_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_1 _NMR_spec_expt.Entry_ID 18372 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D 1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqu 'acquisition parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18372/timedomain_data/b8/NHSQC/ . . . . . . . 18372 1 pulseprogram 'pulse program' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18372/timedomain_data/b8/NHSQC/ . . . . . . . 18372 1 ser 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18372/timedomain_data/b8/NHSQC/ . . . . . . . 18372 1 . 'NMR Experimental Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18372/timedomain_data/b8/NHSQC/ . . . . . . . 18372 1 stop_ save_ save_NMR_spectrometer_expt_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_2 _NMR_spec_expt.Entry_ID 18372 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D 1H-13C HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqu 'acquisition parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18372/timedomain_data/b8/CT_aliCHSQC/ . . . . . . . 18372 2 pulseprogram 'pulse program' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18372/timedomain_data/b8/CT_aliCHSQC/ . . . . . . . 18372 2 ser 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18372/timedomain_data/b8/CT_aliCHSQC/ . . . . . . . 18372 2 . 'NMR Experimental Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18372/timedomain_data/b8/CT_aliCHSQC/ . . . . . . . 18372 2 stop_ save_ save_NMR_spectrometer_expt_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_3 _NMR_spec_expt.Entry_ID 18372 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '3D HNCO' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqu 'acquisition parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18372/timedomain_data/b8/HNCO/ . . . . . . . 18372 3 pulseprogram 'pulse program' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18372/timedomain_data/b8/HNCO/ . . . . . . . 18372 3 ser 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18372/timedomain_data/b8/HNCO/ . . . . . . . 18372 3 . 'NMR Experimental Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18372/timedomain_data/b8/HNCO/ . . . . . . . 18372 3 stop_ save_ save_NMR_spectrometer_expt_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_4 _NMR_spec_expt.Entry_ID 18372 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '3D CBCA(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqu 'acquisition parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18372/timedomain_data/b8/HNcoCACB/ . . . . . . . 18372 4 pulseprogram 'pulse program' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18372/timedomain_data/b8/HNcoCACB/ . . . . . . . 18372 4 ser 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18372/timedomain_data/b8/HNcoCACB/ . . . . . . . 18372 4 . 'NMR Experimental Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18372/timedomain_data/b8/HNcoCACB/ . . . . . . . 18372 4 stop_ save_ save_NMR_spectrometer_expt_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_5 _NMR_spec_expt.Entry_ID 18372 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D HNCACB' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqu 'acquisition parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18372/timedomain_data/b8/HNCACB/ . . . . . . . 18372 5 pulseprogram 'pulse program' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18372/timedomain_data/b8/HNCACB/ . . . . . . . 18372 5 ser 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18372/timedomain_data/b8/HNCACB/ . . . . . . . 18372 5 . 'NMR Experimental Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18372/timedomain_data/b8/HNCACB/ . . . . . . . 18372 5 stop_ save_ save_NMR_spectrometer_expt_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_6 _NMR_spec_expt.Entry_ID 18372 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D 1H-13C arom NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqu 'acquisition parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18372/timedomain_data/b8/aronoesy/ . . . . . . . 18372 6 pulseprogram 'pulse program' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18372/timedomain_data/b8/aronoesy/ . . . . . . . 18372 6 ser 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18372/timedomain_data/b8/aronoesy/ . . . . . . . 18372 6 . 'NMR Experimental Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18372/timedomain_data/b8/aronoesy/ . . . . . . . 18372 6 stop_ save_ save_NMR_spectrometer_expt_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_7 _NMR_spec_expt.Entry_ID 18372 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '3D 1H-13C arom NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqu 'acquisition parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18372/timedomain_data/b8/simnoesy/ . . . . . . . 18372 7 pulseprogram 'pulse program' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18372/timedomain_data/b8/simnoesy/ . . . . . . . 18372 7 ser 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18372/timedomain_data/b8/simnoesy/ . . . . . . . 18372 7 . 'NMR Experimental Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18372/timedomain_data/b8/simnoesy/ . . . . . . . 18372 7 stop_ save_ save_NMR_spectrometer_expt_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_8 _NMR_spec_expt.Entry_ID 18372 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '2D 1H-13C HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18372/timedomain_data/v6/chsqc_ct28/ . . . . . . . 18372 8 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18372/timedomain_data/v6/chsqc_ct28/ . . . . . . . 18372 8 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18372/timedomain_data/v6/chsqc_ct28/ . . . . . . . 18372 8 stop_ save_ save_NMR_spectrometer_expt_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_9 _NMR_spec_expt.Entry_ID 18372 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '2D 1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 3 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_3 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18372/timedomain_data/v6/nhsqc_nc5/ . . . . . . . 18372 9 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18372/timedomain_data/v6/nhsqc_nc5/ . . . . . . . 18372 9 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18372/timedomain_data/v6/nhsqc_nc5/ . . . . . . . 18372 9 stop_ save_ save_NMR_spectrometer_expt_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_10 _NMR_spec_expt.Entry_ID 18372 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '3D HCCH-TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqu 'acquisition parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18372/timedomain_data/b8/cchtoc/ . . . . . . . 18372 10 pulseprogram 'pulse program' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18372/timedomain_data/b8/cchtoc/ . . . . . . . 18372 10 ser 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18372/timedomain_data/b8/cchtoc/ . . . . . . . 18372 10 . 'NMR Experimental Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18372/timedomain_data/b8/cchtoc/ . . . . . . . 18372 10 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 18372 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; lacs offset: CA/CB: 0.09ppm HA: -0.08 ppm C: 0.29ppm ; 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 na indirect 0.251449530 . . . . . . . . . 18372 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18372 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18372 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 18372 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18372 1 4 '3D CBCA(CO)NH' . . . 18372 1 5 '3D HNCACB' . . . 18372 1 7 '3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY' . . . 18372 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 HA H 1 3.934 0.020 . 1 . . . . 1 MET HA . 18372 1 2 . 1 1 1 1 MET HB2 H 1 2.078 0.020 . 1 . . . . 1 MET HB2 . 18372 1 3 . 1 1 1 1 MET HB3 H 1 2.077 0.020 . 1 . . . . 1 MET HB3 . 18372 1 4 . 1 1 1 1 MET HG2 H 1 2.561 0.020 . 2 . . . . 1 MET HG2 . 18372 1 5 . 1 1 1 1 MET HG3 H 1 2.644 0.020 . 2 . . . . 1 MET HG3 . 18372 1 6 . 1 1 1 1 MET HE1 H 1 2.113 0.020 . 1 . . . . 1 MET HE1 . 18372 1 7 . 1 1 1 1 MET HE2 H 1 2.113 0.020 . 1 . . . . 1 MET HE2 . 18372 1 8 . 1 1 1 1 MET HE3 H 1 2.113 0.020 . 1 . . . . 1 MET HE3 . 18372 1 9 . 1 1 1 1 MET CA C 13 55.379 0.400 . 1 . . . . 1 MET CA . 18372 1 10 . 1 1 1 1 MET CB C 13 34.051 0.400 . 1 . . . . 1 MET CB . 18372 1 11 . 1 1 1 1 MET CG C 13 31.339 0.400 . 1 . . . . 1 MET CG . 18372 1 12 . 1 1 1 1 MET CE C 13 16.870 0.400 . 1 . . . . 1 MET CE . 18372 1 13 . 1 1 2 2 LYS HA H 1 4.348 0.020 . 1 . . . . 2 LYS HA . 18372 1 14 . 1 1 2 2 LYS HB2 H 1 1.296 0.020 . 2 . . . . 2 LYS HB2 . 18372 1 15 . 1 1 2 2 LYS HB3 H 1 1.108 0.020 . 2 . . . . 2 LYS HB3 . 18372 1 16 . 1 1 2 2 LYS HG2 H 1 1.070 0.020 . 1 . . . . 2 LYS HG2 . 18372 1 17 . 1 1 2 2 LYS HG3 H 1 1.069 0.020 . 1 . . . . 2 LYS HG3 . 18372 1 18 . 1 1 2 2 LYS HD2 H 1 1.324 0.020 . 2 . . . . 2 LYS HD2 . 18372 1 19 . 1 1 2 2 LYS HD3 H 1 1.165 0.020 . 2 . . . . 2 LYS HD3 . 18372 1 20 . 1 1 2 2 LYS HE2 H 1 2.713 0.020 . 2 . . . . 2 LYS HE2 . 18372 1 21 . 1 1 2 2 LYS HE3 H 1 2.743 0.020 . 2 . . . . 2 LYS HE3 . 18372 1 22 . 1 1 2 2 LYS C C 13 174.853 0.400 . 1 . . . . 2 LYS C . 18372 1 23 . 1 1 2 2 LYS CA C 13 56.261 0.400 . 1 . . . . 2 LYS CA . 18372 1 24 . 1 1 2 2 LYS CB C 13 33.601 0.400 . 1 . . . . 2 LYS CB . 18372 1 25 . 1 1 2 2 LYS CG C 13 25.517 0.400 . 1 . . . . 2 LYS CG . 18372 1 26 . 1 1 2 2 LYS CD C 13 29.149 0.400 . 1 . . . . 2 LYS CD . 18372 1 27 . 1 1 2 2 LYS CE C 13 42.259 0.400 . 1 . . . . 2 LYS CE . 18372 1 28 . 1 1 3 3 GLU H H 1 8.402 0.020 . 1 . . . . 3 GLU H . 18372 1 29 . 1 1 3 3 GLU HA H 1 5.315 0.020 . 1 . . . . 3 GLU HA . 18372 1 30 . 1 1 3 3 GLU HB2 H 1 2.027 0.020 . 2 . . . . 3 GLU HB2 . 18372 1 31 . 1 1 3 3 GLU HB3 H 1 2.175 0.020 . 2 . . . . 3 GLU HB3 . 18372 1 32 . 1 1 3 3 GLU HG2 H 1 2.291 0.020 . 1 . . . . 3 GLU HG2 . 18372 1 33 . 1 1 3 3 GLU C C 13 174.527 0.400 . 1 . . . . 3 GLU C . 18372 1 34 . 1 1 3 3 GLU CA C 13 55.404 0.400 . 1 . . . . 3 GLU CA . 18372 1 35 . 1 1 3 3 GLU CB C 13 33.042 0.400 . 1 . . . . 3 GLU CB . 18372 1 36 . 1 1 3 3 GLU CG C 13 36.558 0.400 . 1 . . . . 3 GLU CG . 18372 1 37 . 1 1 3 3 GLU N N 15 121.478 0.400 . 1 . . . . 3 GLU N . 18372 1 38 . 1 1 4 4 LEU H H 1 8.884 0.020 . 1 . . . . 4 LEU H . 18372 1 39 . 1 1 4 4 LEU HA H 1 5.387 0.020 . 1 . . . . 4 LEU HA . 18372 1 40 . 1 1 4 4 LEU HB2 H 1 1.514 0.020 . 1 . . . . 4 LEU HB2 . 18372 1 41 . 1 1 4 4 LEU HB3 H 1 1.514 0.020 . 1 . . . . 4 LEU HB3 . 18372 1 42 . 1 1 4 4 LEU HG H 1 1.557 0.020 . 1 . . . . 4 LEU HG . 18372 1 43 . 1 1 4 4 LEU HD11 H 1 0.632 0.020 . 2 . . . . 4 LEU HD11 . 18372 1 44 . 1 1 4 4 LEU HD12 H 1 0.632 0.020 . 2 . . . . 4 LEU HD12 . 18372 1 45 . 1 1 4 4 LEU HD13 H 1 0.632 0.020 . 2 . . . . 4 LEU HD13 . 18372 1 46 . 1 1 4 4 LEU HD21 H 1 0.635 0.020 . 2 . . . . 4 LEU HD21 . 18372 1 47 . 1 1 4 4 LEU HD22 H 1 0.635 0.020 . 2 . . . . 4 LEU HD22 . 18372 1 48 . 1 1 4 4 LEU HD23 H 1 0.635 0.020 . 2 . . . . 4 LEU HD23 . 18372 1 49 . 1 1 4 4 LEU C C 13 174.609 0.400 . 1 . . . . 4 LEU C . 18372 1 50 . 1 1 4 4 LEU CA C 13 54.502 0.400 . 1 . . . . 4 LEU CA . 18372 1 51 . 1 1 4 4 LEU CB C 13 45.903 0.400 . 1 . . . . 4 LEU CB . 18372 1 52 . 1 1 4 4 LEU CG C 13 27.717 0.400 . 1 . . . . 4 LEU CG . 18372 1 53 . 1 1 4 4 LEU CD1 C 13 26.126 0.400 . 1 . . . . 4 LEU CD1 . 18372 1 54 . 1 1 4 4 LEU CD2 C 13 26.533 0.400 . 1 . . . . 4 LEU CD2 . 18372 1 55 . 1 1 4 4 LEU N N 15 122.723 0.400 . 1 . . . . 4 LEU N . 18372 1 56 . 1 1 5 5 ILE H H 1 8.135 0.020 . 1 . . . . 5 ILE H . 18372 1 57 . 1 1 5 5 ILE HA H 1 4.770 0.020 . 1 . . . . 5 ILE HA . 18372 1 58 . 1 1 5 5 ILE HB H 1 1.020 0.020 . 1 . . . . 5 ILE HB . 18372 1 59 . 1 1 5 5 ILE HG12 H 1 1.212 0.020 . 2 . . . . 5 ILE HG12 . 18372 1 60 . 1 1 5 5 ILE HG13 H 1 0.495 0.020 . 2 . . . . 5 ILE HG13 . 18372 1 61 . 1 1 5 5 ILE HG21 H 1 0.615 0.020 . 1 . . . . 5 ILE HG21 . 18372 1 62 . 1 1 5 5 ILE HG22 H 1 0.615 0.020 . 1 . . . . 5 ILE HG22 . 18372 1 63 . 1 1 5 5 ILE HG23 H 1 0.615 0.020 . 1 . . . . 5 ILE HG23 . 18372 1 64 . 1 1 5 5 ILE HD11 H 1 0.429 0.020 . 1 . . . . 5 ILE HD11 . 18372 1 65 . 1 1 5 5 ILE HD12 H 1 0.429 0.020 . 1 . . . . 5 ILE HD12 . 18372 1 66 . 1 1 5 5 ILE HD13 H 1 0.429 0.020 . 1 . . . . 5 ILE HD13 . 18372 1 67 . 1 1 5 5 ILE C C 13 172.515 0.400 . 1 . . . . 5 ILE C . 18372 1 68 . 1 1 5 5 ILE CA C 13 59.343 0.400 . 1 . . . . 5 ILE CA . 18372 1 69 . 1 1 5 5 ILE CB C 13 39.835 0.400 . 1 . . . . 5 ILE CB . 18372 1 70 . 1 1 5 5 ILE CG1 C 13 27.314 0.400 . 1 . . . . 5 ILE CG1 . 18372 1 71 . 1 1 5 5 ILE CG2 C 13 16.969 0.400 . 1 . . . . 5 ILE CG2 . 18372 1 72 . 1 1 5 5 ILE CD1 C 13 14.116 0.400 . 1 . . . . 5 ILE CD1 . 18372 1 73 . 1 1 5 5 ILE N N 15 121.507 0.400 . 1 . . . . 5 ILE N . 18372 1 74 . 1 1 6 6 LEU H H 1 8.752 0.020 . 1 . . . . 6 LEU H . 18372 1 75 . 1 1 6 6 LEU HA H 1 5.229 0.020 . 1 . . . . 6 LEU HA . 18372 1 76 . 1 1 6 6 LEU HB2 H 1 1.400 0.020 . 2 . . . . 6 LEU HB2 . 18372 1 77 . 1 1 6 6 LEU HB3 H 1 1.295 0.020 . 2 . . . . 6 LEU HB3 . 18372 1 78 . 1 1 6 6 LEU HG H 1 1.433 0.020 . 1 . . . . 6 LEU HG . 18372 1 79 . 1 1 6 6 LEU HD11 H 1 0.682 0.020 . 2 . . . . 6 LEU HD11 . 18372 1 80 . 1 1 6 6 LEU HD12 H 1 0.682 0.020 . 2 . . . . 6 LEU HD12 . 18372 1 81 . 1 1 6 6 LEU HD13 H 1 0.682 0.020 . 2 . . . . 6 LEU HD13 . 18372 1 82 . 1 1 6 6 LEU HD21 H 1 0.668 0.020 . 2 . . . . 6 LEU HD21 . 18372 1 83 . 1 1 6 6 LEU HD22 H 1 0.668 0.020 . 2 . . . . 6 LEU HD22 . 18372 1 84 . 1 1 6 6 LEU HD23 H 1 0.668 0.020 . 2 . . . . 6 LEU HD23 . 18372 1 85 . 1 1 6 6 LEU C C 13 174.514 0.400 . 1 . . . . 6 LEU C . 18372 1 86 . 1 1 6 6 LEU CA C 13 52.728 0.400 . 1 . . . . 6 LEU CA . 18372 1 87 . 1 1 6 6 LEU CB C 13 44.583 0.400 . 1 . . . . 6 LEU CB . 18372 1 88 . 1 1 6 6 LEU CG C 13 28.081 0.400 . 1 . . . . 6 LEU CG . 18372 1 89 . 1 1 6 6 LEU CD1 C 13 25.347 0.400 . 1 . . . . 6 LEU CD1 . 18372 1 90 . 1 1 6 6 LEU CD2 C 13 25.116 0.400 . 1 . . . . 6 LEU CD2 . 18372 1 91 . 1 1 6 6 LEU N N 15 129.097 0.400 . 1 . . . . 6 LEU N . 18372 1 92 . 1 1 7 7 ILE H H 1 9.037 0.020 . 1 . . . . 7 ILE H . 18372 1 93 . 1 1 7 7 ILE HA H 1 5.049 0.020 . 1 . . . . 7 ILE HA . 18372 1 94 . 1 1 7 7 ILE HB H 1 1.788 0.020 . 1 . . . . 7 ILE HB . 18372 1 95 . 1 1 7 7 ILE HG12 H 1 1.483 0.020 . 2 . . . . 7 ILE HG12 . 18372 1 96 . 1 1 7 7 ILE HG13 H 1 0.994 0.020 . 2 . . . . 7 ILE HG13 . 18372 1 97 . 1 1 7 7 ILE HG21 H 1 0.687 0.020 . 1 . . . . 7 ILE HG21 . 18372 1 98 . 1 1 7 7 ILE HG22 H 1 0.687 0.020 . 1 . . . . 7 ILE HG22 . 18372 1 99 . 1 1 7 7 ILE HG23 H 1 0.687 0.020 . 1 . . . . 7 ILE HG23 . 18372 1 100 . 1 1 7 7 ILE HD11 H 1 0.708 0.020 . 1 . . . . 7 ILE HD11 . 18372 1 101 . 1 1 7 7 ILE HD12 H 1 0.708 0.020 . 1 . . . . 7 ILE HD12 . 18372 1 102 . 1 1 7 7 ILE HD13 H 1 0.708 0.020 . 1 . . . . 7 ILE HD13 . 18372 1 103 . 1 1 7 7 ILE C C 13 173.857 0.400 . 1 . . . . 7 ILE C . 18372 1 104 . 1 1 7 7 ILE CA C 13 59.070 0.400 . 1 . . . . 7 ILE CA . 18372 1 105 . 1 1 7 7 ILE CB C 13 40.216 0.400 . 1 . . . . 7 ILE CB . 18372 1 106 . 1 1 7 7 ILE CG1 C 13 27.636 0.400 . 1 . . . . 7 ILE CG1 . 18372 1 107 . 1 1 7 7 ILE CG2 C 13 16.316 0.400 . 1 . . . . 7 ILE CG2 . 18372 1 108 . 1 1 7 7 ILE CD1 C 13 14.512 0.400 . 1 . . . . 7 ILE CD1 . 18372 1 109 . 1 1 7 7 ILE N N 15 122.130 0.400 . 1 . . . . 7 ILE N . 18372 1 110 . 1 1 8 8 ASN H H 1 8.682 0.020 . 1 . . . . 8 ASN H . 18372 1 111 . 1 1 8 8 ASN HA H 1 5.813 0.020 . 1 . . . . 8 ASN HA . 18372 1 112 . 1 1 8 8 ASN HB2 H 1 2.809 0.020 . 2 . . . . 8 ASN HB2 . 18372 1 113 . 1 1 8 8 ASN HB3 H 1 2.310 0.020 . 2 . . . . 8 ASN HB3 . 18372 1 114 . 1 1 8 8 ASN HD21 H 1 7.288 0.020 . 2 . . . . 8 ASN HD21 . 18372 1 115 . 1 1 8 8 ASN HD22 H 1 6.320 0.020 . 2 . . . . 8 ASN HD22 . 18372 1 116 . 1 1 8 8 ASN C C 13 172.287 0.400 . 1 . . . . 8 ASN C . 18372 1 117 . 1 1 8 8 ASN CA C 13 51.364 0.400 . 1 . . . . 8 ASN CA . 18372 1 118 . 1 1 8 8 ASN CB C 13 42.781 0.400 . 1 . . . . 8 ASN CB . 18372 1 119 . 1 1 8 8 ASN N N 15 125.302 0.400 . 1 . . . . 8 ASN N . 18372 1 120 . 1 1 8 8 ASN ND2 N 15 107.275 0.400 . 1 . . . . 8 ASN ND2 . 18372 1 121 . 1 1 9 9 THR H H 1 7.949 0.020 . 1 . . . . 9 THR H . 18372 1 122 . 1 1 9 9 THR HA H 1 4.775 0.020 . 1 . . . . 9 THR HA . 18372 1 123 . 1 1 9 9 THR HB H 1 4.310 0.020 . 1 . . . . 9 THR HB . 18372 1 124 . 1 1 9 9 THR HG1 H 1 6.143 0.020 . 1 . . . . 9 THR HG1 . 18372 1 125 . 1 1 9 9 THR HG21 H 1 0.871 0.020 . 1 . . . . 9 THR HG21 . 18372 1 126 . 1 1 9 9 THR HG22 H 1 0.871 0.020 . 1 . . . . 9 THR HG22 . 18372 1 127 . 1 1 9 9 THR HG23 H 1 0.871 0.020 . 1 . . . . 9 THR HG23 . 18372 1 128 . 1 1 9 9 THR C C 13 170.165 0.400 . 1 . . . . 9 THR C . 18372 1 129 . 1 1 9 9 THR CA C 13 60.318 0.400 . 1 . . . . 9 THR CA . 18372 1 130 . 1 1 9 9 THR CB C 13 68.116 0.400 . 1 . . . . 9 THR CB . 18372 1 131 . 1 1 9 9 THR CG2 C 13 19.209 0.400 . 1 . . . . 9 THR CG2 . 18372 1 132 . 1 1 9 9 THR N N 15 118.742 0.400 . 1 . . . . 9 THR N . 18372 1 133 . 1 1 10 10 ASN H H 1 8.442 0.020 . 1 . . . . 10 ASN H . 18372 1 134 . 1 1 10 10 ASN HA H 1 4.990 0.020 . 1 . . . . 10 ASN HA . 18372 1 135 . 1 1 10 10 ASN HB2 H 1 2.927 0.020 . 2 . . . . 10 ASN HB2 . 18372 1 136 . 1 1 10 10 ASN HB3 H 1 2.830 0.020 . 2 . . . . 10 ASN HB3 . 18372 1 137 . 1 1 10 10 ASN HD21 H 1 7.616 0.020 . 2 . . . . 10 ASN HD21 . 18372 1 138 . 1 1 10 10 ASN HD22 H 1 6.910 0.020 . 2 . . . . 10 ASN HD22 . 18372 1 139 . 1 1 10 10 ASN C C 13 174.770 0.400 . 1 . . . . 10 ASN C . 18372 1 140 . 1 1 10 10 ASN CA C 13 51.767 0.400 . 1 . . . . 10 ASN CA . 18372 1 141 . 1 1 10 10 ASN CB C 13 39.118 0.400 . 1 . . . . 10 ASN CB . 18372 1 142 . 1 1 10 10 ASN N N 15 123.206 0.400 . 1 . . . . 10 ASN N . 18372 1 143 . 1 1 10 10 ASN ND2 N 15 111.262 0.400 . 1 . . . . 10 ASN ND2 . 18372 1 144 . 1 1 11 11 ASN H H 1 8.418 0.020 . 1 . . . . 11 ASN H . 18372 1 145 . 1 1 11 11 ASN HA H 1 4.687 0.020 . 1 . . . . 11 ASN HA . 18372 1 146 . 1 1 11 11 ASN HB2 H 1 3.032 0.020 . 2 . . . . 11 ASN HB2 . 18372 1 147 . 1 1 11 11 ASN HB3 H 1 2.754 0.020 . 2 . . . . 11 ASN HB3 . 18372 1 148 . 1 1 11 11 ASN HD21 H 1 7.356 0.020 . 1 . . . . 11 ASN HD21 . 18372 1 149 . 1 1 11 11 ASN HD22 H 1 7.355 0.020 . 1 . . . . 11 ASN HD22 . 18372 1 150 . 1 1 11 11 ASN C C 13 174.299 0.400 . 1 . . . . 11 ASN C . 18372 1 151 . 1 1 11 11 ASN CA C 13 52.465 0.400 . 1 . . . . 11 ASN CA . 18372 1 152 . 1 1 11 11 ASN CB C 13 38.316 0.400 . 1 . . . . 11 ASN CB . 18372 1 153 . 1 1 11 11 ASN N N 15 120.941 0.400 . 1 . . . . 11 ASN N . 18372 1 154 . 1 1 11 11 ASN ND2 N 15 114.074 0.400 . 1 . . . . 11 ASN ND2 . 18372 1 155 . 1 1 12 12 ASP H H 1 8.609 0.020 . 1 . . . . 12 ASP H . 18372 1 156 . 1 1 12 12 ASP HA H 1 4.274 0.020 . 1 . . . . 12 ASP HA . 18372 1 157 . 1 1 12 12 ASP HB2 H 1 2.627 0.020 . 2 . . . . 12 ASP HB2 . 18372 1 158 . 1 1 12 12 ASP HB3 H 1 2.661 0.020 . 2 . . . . 12 ASP HB3 . 18372 1 159 . 1 1 12 12 ASP C C 13 178.071 0.400 . 1 . . . . 12 ASP C . 18372 1 160 . 1 1 12 12 ASP CA C 13 57.788 0.400 . 1 . . . . 12 ASP CA . 18372 1 161 . 1 1 12 12 ASP CB C 13 41.284 0.400 . 1 . . . . 12 ASP CB . 18372 1 162 . 1 1 12 12 ASP N N 15 126.491 0.400 . 1 . . . . 12 ASP N . 18372 1 163 . 1 1 13 13 GLU H H 1 8.236 0.020 . 1 . . . . 13 GLU H . 18372 1 164 . 1 1 13 13 GLU HA H 1 4.018 0.020 . 1 . . . . 13 GLU HA . 18372 1 165 . 1 1 13 13 GLU HB2 H 1 2.064 0.020 . 2 . . . . 13 GLU HB2 . 18372 1 166 . 1 1 13 13 GLU HB3 H 1 2.160 0.020 . 2 . . . . 13 GLU HB3 . 18372 1 167 . 1 1 13 13 GLU HG2 H 1 2.354 0.020 . 2 . . . . 13 GLU HG2 . 18372 1 168 . 1 1 13 13 GLU HG3 H 1 2.310 0.020 . 2 . . . . 13 GLU HG3 . 18372 1 169 . 1 1 13 13 GLU C C 13 178.877 0.400 . 1 . . . . 13 GLU C . 18372 1 170 . 1 1 13 13 GLU CA C 13 59.105 0.400 . 1 . . . . 13 GLU CA . 18372 1 171 . 1 1 13 13 GLU CB C 13 28.675 0.400 . 1 . . . . 13 GLU CB . 18372 1 172 . 1 1 13 13 GLU CG C 13 36.010 0.400 . 1 . . . . 13 GLU CG . 18372 1 173 . 1 1 13 13 GLU N N 15 119.185 0.400 . 1 . . . . 13 GLU N . 18372 1 174 . 1 1 14 14 LEU H H 1 7.582 0.020 . 1 . . . . 14 LEU H . 18372 1 175 . 1 1 14 14 LEU HA H 1 3.999 0.020 . 1 . . . . 14 LEU HA . 18372 1 176 . 1 1 14 14 LEU HB2 H 1 1.851 0.020 . 2 . . . . 14 LEU HB2 . 18372 1 177 . 1 1 14 14 LEU HB3 H 1 1.524 0.020 . 2 . . . . 14 LEU HB3 . 18372 1 178 . 1 1 14 14 LEU HG H 1 1.378 0.020 . 1 . . . . 14 LEU HG . 18372 1 179 . 1 1 14 14 LEU HD11 H 1 0.879 0.020 . 2 . . . . 14 LEU HD11 . 18372 1 180 . 1 1 14 14 LEU HD12 H 1 0.879 0.020 . 2 . . . . 14 LEU HD12 . 18372 1 181 . 1 1 14 14 LEU HD13 H 1 0.879 0.020 . 2 . . . . 14 LEU HD13 . 18372 1 182 . 1 1 14 14 LEU HD21 H 1 0.763 0.020 . 2 . . . . 14 LEU HD21 . 18372 1 183 . 1 1 14 14 LEU HD22 H 1 0.763 0.020 . 2 . . . . 14 LEU HD22 . 18372 1 184 . 1 1 14 14 LEU HD23 H 1 0.763 0.020 . 2 . . . . 14 LEU HD23 . 18372 1 185 . 1 1 14 14 LEU C C 13 178.289 0.400 . 1 . . . . 14 LEU C . 18372 1 186 . 1 1 14 14 LEU CA C 13 57.506 0.400 . 1 . . . . 14 LEU CA . 18372 1 187 . 1 1 14 14 LEU CB C 13 39.974 0.400 . 1 . . . . 14 LEU CB . 18372 1 188 . 1 1 14 14 LEU CG C 13 27.050 0.400 . 1 . . . . 14 LEU CG . 18372 1 189 . 1 1 14 14 LEU CD1 C 13 22.382 0.400 . 1 . . . . 14 LEU CD1 . 18372 1 190 . 1 1 14 14 LEU CD2 C 13 24.529 0.400 . 1 . . . . 14 LEU CD2 . 18372 1 191 . 1 1 14 14 LEU N N 15 121.672 0.400 . 1 . . . . 14 LEU N . 18372 1 192 . 1 1 15 15 ILE H H 1 8.148 0.020 . 1 . . . . 15 ILE H . 18372 1 193 . 1 1 15 15 ILE HA H 1 3.238 0.020 . 1 . . . . 15 ILE HA . 18372 1 194 . 1 1 15 15 ILE HB H 1 1.922 0.020 . 1 . . . . 15 ILE HB . 18372 1 195 . 1 1 15 15 ILE HG12 H 1 1.726 0.020 . 2 . . . . 15 ILE HG12 . 18372 1 196 . 1 1 15 15 ILE HG13 H 1 0.660 0.020 . 2 . . . . 15 ILE HG13 . 18372 1 197 . 1 1 15 15 ILE HG21 H 1 0.847 0.020 . 1 . . . . 15 ILE HG21 . 18372 1 198 . 1 1 15 15 ILE HG22 H 1 0.847 0.020 . 1 . . . . 15 ILE HG22 . 18372 1 199 . 1 1 15 15 ILE HG23 H 1 0.847 0.020 . 1 . . . . 15 ILE HG23 . 18372 1 200 . 1 1 15 15 ILE HD11 H 1 0.783 0.020 . 1 . . . . 15 ILE HD11 . 18372 1 201 . 1 1 15 15 ILE HD12 H 1 0.783 0.020 . 1 . . . . 15 ILE HD12 . 18372 1 202 . 1 1 15 15 ILE HD13 H 1 0.783 0.020 . 1 . . . . 15 ILE HD13 . 18372 1 203 . 1 1 15 15 ILE C C 13 177.321 0.400 . 1 . . . . 15 ILE C . 18372 1 204 . 1 1 15 15 ILE CA C 13 66.626 0.400 . 1 . . . . 15 ILE CA . 18372 1 205 . 1 1 15 15 ILE CB C 13 37.479 0.400 . 1 . . . . 15 ILE CB . 18372 1 206 . 1 1 15 15 ILE CG1 C 13 30.331 0.400 . 1 . . . . 15 ILE CG1 . 18372 1 207 . 1 1 15 15 ILE CG2 C 13 16.918 0.400 . 1 . . . . 15 ILE CG2 . 18372 1 208 . 1 1 15 15 ILE CD1 C 13 13.066 0.400 . 1 . . . . 15 ILE CD1 . 18372 1 209 . 1 1 15 15 ILE N N 15 119.581 0.400 . 1 . . . . 15 ILE N . 18372 1 210 . 1 1 16 16 LYS H H 1 7.692 0.020 . 1 . . . . 16 LYS H . 18372 1 211 . 1 1 16 16 LYS HA H 1 3.846 0.020 . 1 . . . . 16 LYS HA . 18372 1 212 . 1 1 16 16 LYS HB2 H 1 1.904 0.020 . 1 . . . . 16 LYS HB2 . 18372 1 213 . 1 1 16 16 LYS HB3 H 1 1.903 0.020 . 1 . . . . 16 LYS HB3 . 18372 1 214 . 1 1 16 16 LYS HG2 H 1 1.627 0.020 . 2 . . . . 16 LYS HG2 . 18372 1 215 . 1 1 16 16 LYS HG3 H 1 1.396 0.020 . 2 . . . . 16 LYS HG3 . 18372 1 216 . 1 1 16 16 LYS HD2 H 1 1.686 0.020 . 1 . . . . 16 LYS HD2 . 18372 1 217 . 1 1 16 16 LYS HD3 H 1 1.686 0.020 . 1 . . . . 16 LYS HD3 . 18372 1 218 . 1 1 16 16 LYS HE2 H 1 2.910 0.020 . 1 . . . . 16 LYS HE2 . 18372 1 219 . 1 1 16 16 LYS HE3 H 1 2.910 0.020 . 1 . . . . 16 LYS HE3 . 18372 1 220 . 1 1 16 16 LYS C C 13 179.605 0.400 . 1 . . . . 16 LYS C . 18372 1 221 . 1 1 16 16 LYS CA C 13 60.231 0.400 . 1 . . . . 16 LYS CA . 18372 1 222 . 1 1 16 16 LYS CB C 13 32.090 0.400 . 1 . . . . 16 LYS CB . 18372 1 223 . 1 1 16 16 LYS CG C 13 25.600 0.400 . 1 . . . . 16 LYS CG . 18372 1 224 . 1 1 16 16 LYS CD C 13 29.236 0.400 . 1 . . . . 16 LYS CD . 18372 1 225 . 1 1 16 16 LYS CE C 13 41.780 0.400 . 1 . . . . 16 LYS CE . 18372 1 226 . 1 1 16 16 LYS N N 15 117.825 0.400 . 1 . . . . 16 LYS N . 18372 1 227 . 1 1 17 17 LYS H H 1 7.716 0.020 . 1 . . . . 17 LYS H . 18372 1 228 . 1 1 17 17 LYS HA H 1 3.997 0.020 . 1 . . . . 17 LYS HA . 18372 1 229 . 1 1 17 17 LYS HB2 H 1 1.993 0.020 . 2 . . . . 17 LYS HB2 . 18372 1 230 . 1 1 17 17 LYS HB3 H 1 1.922 0.020 . 2 . . . . 17 LYS HB3 . 18372 1 231 . 1 1 17 17 LYS HG2 H 1 1.775 0.020 . 2 . . . . 17 LYS HG2 . 18372 1 232 . 1 1 17 17 LYS HG3 H 1 1.439 0.020 . 2 . . . . 17 LYS HG3 . 18372 1 233 . 1 1 17 17 LYS HD2 H 1 1.696 0.020 . 2 . . . . 17 LYS HD2 . 18372 1 234 . 1 1 17 17 LYS HD3 H 1 1.525 0.020 . 2 . . . . 17 LYS HD3 . 18372 1 235 . 1 1 17 17 LYS HE2 H 1 2.823 0.020 . 2 . . . . 17 LYS HE2 . 18372 1 236 . 1 1 17 17 LYS HE3 H 1 2.886 0.020 . 2 . . . . 17 LYS HE3 . 18372 1 237 . 1 1 17 17 LYS C C 13 179.452 0.400 . 1 . . . . 17 LYS C . 18372 1 238 . 1 1 17 17 LYS CA C 13 59.995 0.400 . 1 . . . . 17 LYS CA . 18372 1 239 . 1 1 17 17 LYS CB C 13 33.276 0.400 . 1 . . . . 17 LYS CB . 18372 1 240 . 1 1 17 17 LYS CG C 13 26.009 0.400 . 1 . . . . 17 LYS CG . 18372 1 241 . 1 1 17 17 LYS CD C 13 29.995 0.400 . 1 . . . . 17 LYS CD . 18372 1 242 . 1 1 17 17 LYS CE C 13 42.070 0.400 . 1 . . . . 17 LYS CE . 18372 1 243 . 1 1 17 17 LYS N N 15 119.290 0.400 . 1 . . . . 17 LYS N . 18372 1 244 . 1 1 18 18 ILE H H 1 8.806 0.020 . 1 . . . . 18 ILE H . 18372 1 245 . 1 1 18 18 ILE HA H 1 3.373 0.020 . 1 . . . . 18 ILE HA . 18372 1 246 . 1 1 18 18 ILE HB H 1 1.862 0.020 . 1 . . . . 18 ILE HB . 18372 1 247 . 1 1 18 18 ILE HG12 H 1 1.813 0.020 . 2 . . . . 18 ILE HG12 . 18372 1 248 . 1 1 18 18 ILE HG13 H 1 0.715 0.020 . 2 . . . . 18 ILE HG13 . 18372 1 249 . 1 1 18 18 ILE HG21 H 1 0.716 0.020 . 1 . . . . 18 ILE HG21 . 18372 1 250 . 1 1 18 18 ILE HG22 H 1 0.716 0.020 . 1 . . . . 18 ILE HG22 . 18372 1 251 . 1 1 18 18 ILE HG23 H 1 0.716 0.020 . 1 . . . . 18 ILE HG23 . 18372 1 252 . 1 1 18 18 ILE HD11 H 1 0.627 0.020 . 1 . . . . 18 ILE HD11 . 18372 1 253 . 1 1 18 18 ILE HD12 H 1 0.627 0.020 . 1 . . . . 18 ILE HD12 . 18372 1 254 . 1 1 18 18 ILE HD13 H 1 0.627 0.020 . 1 . . . . 18 ILE HD13 . 18372 1 255 . 1 1 18 18 ILE C C 13 176.997 0.400 . 1 . . . . 18 ILE C . 18372 1 256 . 1 1 18 18 ILE CA C 13 65.690 0.400 . 1 . . . . 18 ILE CA . 18372 1 257 . 1 1 18 18 ILE CB C 13 37.686 0.400 . 1 . . . . 18 ILE CB . 18372 1 258 . 1 1 18 18 ILE CG1 C 13 29.494 0.400 . 1 . . . . 18 ILE CG1 . 18372 1 259 . 1 1 18 18 ILE CG2 C 13 17.565 0.400 . 1 . . . . 18 ILE CG2 . 18372 1 260 . 1 1 18 18 ILE CD1 C 13 13.493 0.400 . 1 . . . . 18 ILE CD1 . 18372 1 261 . 1 1 18 18 ILE N N 15 120.884 0.400 . 1 . . . . 18 ILE N . 18372 1 262 . 1 1 19 19 LYS H H 1 8.571 0.020 . 1 . . . . 19 LYS H . 18372 1 263 . 1 1 19 19 LYS HA H 1 3.712 0.020 . 1 . . . . 19 LYS HA . 18372 1 264 . 1 1 19 19 LYS HB2 H 1 1.804 0.020 . 2 . . . . 19 LYS HB2 . 18372 1 265 . 1 1 19 19 LYS HB3 H 1 1.861 0.020 . 2 . . . . 19 LYS HB3 . 18372 1 266 . 1 1 19 19 LYS HG2 H 1 1.125 0.020 . 2 . . . . 19 LYS HG2 . 18372 1 267 . 1 1 19 19 LYS HG3 H 1 1.610 0.020 . 2 . . . . 19 LYS HG3 . 18372 1 268 . 1 1 19 19 LYS HD2 H 1 1.594 0.020 . 1 . . . . 19 LYS HD2 . 18372 1 269 . 1 1 19 19 LYS HD3 H 1 1.594 0.020 . 1 . . . . 19 LYS HD3 . 18372 1 270 . 1 1 19 19 LYS HE2 H 1 2.674 0.020 . 2 . . . . 19 LYS HE2 . 18372 1 271 . 1 1 19 19 LYS HE3 H 1 2.741 0.020 . 2 . . . . 19 LYS HE3 . 18372 1 272 . 1 1 19 19 LYS C C 13 177.980 0.400 . 1 . . . . 19 LYS C . 18372 1 273 . 1 1 19 19 LYS CA C 13 61.185 0.400 . 1 . . . . 19 LYS CA . 18372 1 274 . 1 1 19 19 LYS CB C 13 32.208 0.400 . 1 . . . . 19 LYS CB . 18372 1 275 . 1 1 19 19 LYS CG C 13 27.370 0.400 . 1 . . . . 19 LYS CG . 18372 1 276 . 1 1 19 19 LYS CD C 13 29.871 0.400 . 1 . . . . 19 LYS CD . 18372 1 277 . 1 1 19 19 LYS CE C 13 41.695 0.400 . 1 . . . . 19 LYS CE . 18372 1 278 . 1 1 19 19 LYS N N 15 118.063 0.400 . 1 . . . . 19 LYS N . 18372 1 279 . 1 1 20 20 LYS H H 1 7.519 0.020 . 1 . . . . 20 LYS H . 18372 1 280 . 1 1 20 20 LYS HA H 1 4.094 0.020 . 1 . . . . 20 LYS HA . 18372 1 281 . 1 1 20 20 LYS HB2 H 1 1.890 0.020 . 1 . . . . 20 LYS HB2 . 18372 1 282 . 1 1 20 20 LYS HB3 H 1 1.890 0.020 . 1 . . . . 20 LYS HB3 . 18372 1 283 . 1 1 20 20 LYS HG2 H 1 1.506 0.020 . 2 . . . . 20 LYS HG2 . 18372 1 284 . 1 1 20 20 LYS HG3 H 1 1.466 0.020 . 2 . . . . 20 LYS HG3 . 18372 1 285 . 1 1 20 20 LYS HD2 H 1 1.699 0.020 . 1 . . . . 20 LYS HD2 . 18372 1 286 . 1 1 20 20 LYS HD3 H 1 1.699 0.020 . 1 . . . . 20 LYS HD3 . 18372 1 287 . 1 1 20 20 LYS HE2 H 1 2.964 0.020 . 1 . . . . 20 LYS HE2 . 18372 1 288 . 1 1 20 20 LYS HE3 H 1 2.964 0.020 . 1 . . . . 20 LYS HE3 . 18372 1 289 . 1 1 20 20 LYS C C 13 178.234 0.400 . 1 . . . . 20 LYS C . 18372 1 290 . 1 1 20 20 LYS CA C 13 58.641 0.400 . 1 . . . . 20 LYS CA . 18372 1 291 . 1 1 20 20 LYS CB C 13 31.966 0.400 . 1 . . . . 20 LYS CB . 18372 1 292 . 1 1 20 20 LYS CG C 13 24.444 0.400 . 1 . . . . 20 LYS CG . 18372 1 293 . 1 1 20 20 LYS CD C 13 28.780 0.400 . 1 . . . . 20 LYS CD . 18372 1 294 . 1 1 20 20 LYS CE C 13 41.780 0.400 . 1 . . . . 20 LYS CE . 18372 1 295 . 1 1 20 20 LYS N N 15 117.095 0.400 . 1 . . . . 20 LYS N . 18372 1 296 . 1 1 21 21 GLU H H 1 7.732 0.020 . 1 . . . . 21 GLU H . 18372 1 297 . 1 1 21 21 GLU HA H 1 4.008 0.020 . 1 . . . . 21 GLU HA . 18372 1 298 . 1 1 21 21 GLU HB2 H 1 2.132 0.020 . 2 . . . . 21 GLU HB2 . 18372 1 299 . 1 1 21 21 GLU HB3 H 1 1.993 0.020 . 2 . . . . 21 GLU HB3 . 18372 1 300 . 1 1 21 21 GLU HG2 H 1 2.142 0.020 . 2 . . . . 21 GLU HG2 . 18372 1 301 . 1 1 21 21 GLU HG3 H 1 2.145 0.020 . 2 . . . . 21 GLU HG3 . 18372 1 302 . 1 1 21 21 GLU C C 13 178.957 0.400 . 1 . . . . 21 GLU C . 18372 1 303 . 1 1 21 21 GLU CA C 13 59.122 0.400 . 1 . . . . 21 GLU CA . 18372 1 304 . 1 1 21 21 GLU CB C 13 29.332 0.400 . 1 . . . . 21 GLU CB . 18372 1 305 . 1 1 21 21 GLU CG C 13 35.314 0.400 . 1 . . . . 21 GLU CG . 18372 1 306 . 1 1 21 21 GLU N N 15 118.788 0.400 . 1 . . . . 21 GLU N . 18372 1 307 . 1 1 22 22 VAL H H 1 8.277 0.020 . 1 . . . . 22 VAL H . 18372 1 308 . 1 1 22 22 VAL HA H 1 3.927 0.020 . 1 . . . . 22 VAL HA . 18372 1 309 . 1 1 22 22 VAL HB H 1 2.051 0.020 . 1 . . . . 22 VAL HB . 18372 1 310 . 1 1 22 22 VAL HG11 H 1 0.756 0.020 . 2 . . . . 22 VAL HG11 . 18372 1 311 . 1 1 22 22 VAL HG12 H 1 0.756 0.020 . 2 . . . . 22 VAL HG12 . 18372 1 312 . 1 1 22 22 VAL HG13 H 1 0.756 0.020 . 2 . . . . 22 VAL HG13 . 18372 1 313 . 1 1 22 22 VAL HG21 H 1 0.906 0.020 . 2 . . . . 22 VAL HG21 . 18372 1 314 . 1 1 22 22 VAL HG22 H 1 0.906 0.020 . 2 . . . . 22 VAL HG22 . 18372 1 315 . 1 1 22 22 VAL HG23 H 1 0.906 0.020 . 2 . . . . 22 VAL HG23 . 18372 1 316 . 1 1 22 22 VAL C C 13 178.916 0.400 . 1 . . . . 22 VAL C . 18372 1 317 . 1 1 22 22 VAL CA C 13 64.234 0.400 . 1 . . . . 22 VAL CA . 18372 1 318 . 1 1 22 22 VAL CB C 13 31.059 0.400 . 1 . . . . 22 VAL CB . 18372 1 319 . 1 1 22 22 VAL CG1 C 13 21.260 0.400 . 1 . . . . 22 VAL CG1 . 18372 1 320 . 1 1 22 22 VAL CG2 C 13 21.231 0.400 . 1 . . . . 22 VAL CG2 . 18372 1 321 . 1 1 22 22 VAL N N 15 112.917 0.400 . 1 . . . . 22 VAL N . 18372 1 322 . 1 1 23 23 GLU H H 1 8.279 0.020 . 1 . . . . 23 GLU H . 18372 1 323 . 1 1 23 23 GLU HA H 1 4.411 0.020 . 1 . . . . 23 GLU HA . 18372 1 324 . 1 1 23 23 GLU HB2 H 1 2.216 0.020 . 2 . . . . 23 GLU HB2 . 18372 1 325 . 1 1 23 23 GLU HB3 H 1 2.071 0.020 . 2 . . . . 23 GLU HB3 . 18372 1 326 . 1 1 23 23 GLU HG2 H 1 2.370 0.020 . 2 . . . . 23 GLU HG2 . 18372 1 327 . 1 1 23 23 GLU HG3 H 1 2.538 0.020 . 2 . . . . 23 GLU HG3 . 18372 1 328 . 1 1 23 23 GLU C C 13 180.342 0.400 . 1 . . . . 23 GLU C . 18372 1 329 . 1 1 23 23 GLU CA C 13 59.393 0.400 . 1 . . . . 23 GLU CA . 18372 1 330 . 1 1 23 23 GLU CB C 13 29.124 0.400 . 1 . . . . 23 GLU CB . 18372 1 331 . 1 1 23 23 GLU CG C 13 36.995 0.400 . 1 . . . . 23 GLU CG . 18372 1 332 . 1 1 23 23 GLU N N 15 122.994 0.400 . 1 . . . . 23 GLU N . 18372 1 333 . 1 1 24 24 ASN H H 1 8.062 0.020 . 1 . . . . 24 ASN H . 18372 1 334 . 1 1 24 24 ASN HA H 1 4.633 0.020 . 1 . . . . 24 ASN HA . 18372 1 335 . 1 1 24 24 ASN HB2 H 1 2.918 0.020 . 2 . . . . 24 ASN HB2 . 18372 1 336 . 1 1 24 24 ASN HB3 H 1 3.009 0.020 . 2 . . . . 24 ASN HB3 . 18372 1 337 . 1 1 24 24 ASN HD21 H 1 7.671 0.020 . 2 . . . . 24 ASN HD21 . 18372 1 338 . 1 1 24 24 ASN HD22 H 1 6.894 0.020 . 2 . . . . 24 ASN HD22 . 18372 1 339 . 1 1 24 24 ASN C C 13 176.177 0.400 . 1 . . . . 24 ASN C . 18372 1 340 . 1 1 24 24 ASN CA C 13 55.000 0.400 . 1 . . . . 24 ASN CA . 18372 1 341 . 1 1 24 24 ASN CB C 13 38.286 0.400 . 1 . . . . 24 ASN CB . 18372 1 342 . 1 1 24 24 ASN N N 15 117.736 0.400 . 1 . . . . 24 ASN N . 18372 1 343 . 1 1 24 24 ASN ND2 N 15 112.294 0.400 . 1 . . . . 24 ASN ND2 . 18372 1 344 . 1 1 25 25 GLN H H 1 7.544 0.020 . 1 . . . . 25 GLN H . 18372 1 345 . 1 1 25 25 GLN HA H 1 4.540 0.020 . 1 . . . . 25 GLN HA . 18372 1 346 . 1 1 25 25 GLN HB2 H 1 2.095 0.020 . 2 . . . . 25 GLN HB2 . 18372 1 347 . 1 1 25 25 GLN HB3 H 1 2.679 0.020 . 2 . . . . 25 GLN HB3 . 18372 1 348 . 1 1 25 25 GLN HG2 H 1 2.472 0.020 . 2 . . . . 25 GLN HG2 . 18372 1 349 . 1 1 25 25 GLN HG3 H 1 2.533 0.020 . 2 . . . . 25 GLN HG3 . 18372 1 350 . 1 1 25 25 GLN HE21 H 1 7.666 0.020 . 2 . . . . 25 GLN HE21 . 18372 1 351 . 1 1 25 25 GLN HE22 H 1 6.816 0.020 . 2 . . . . 25 GLN HE22 . 18372 1 352 . 1 1 25 25 GLN C C 13 175.695 0.400 . 1 . . . . 25 GLN C . 18372 1 353 . 1 1 25 25 GLN CA C 13 55.084 0.400 . 1 . . . . 25 GLN CA . 18372 1 354 . 1 1 25 25 GLN CB C 13 29.312 0.400 . 1 . . . . 25 GLN CB . 18372 1 355 . 1 1 25 25 GLN CG C 13 33.393 0.400 . 1 . . . . 25 GLN CG . 18372 1 356 . 1 1 25 25 GLN N N 15 115.626 0.400 . 1 . . . . 25 GLN N . 18372 1 357 . 1 1 25 25 GLN NE2 N 15 112.267 0.400 . 1 . . . . 25 GLN NE2 . 18372 1 358 . 1 1 26 26 GLY H H 1 7.904 0.020 . 1 . . . . 26 GLY H . 18372 1 359 . 1 1 26 26 GLY HA2 H 1 3.794 0.020 . 2 . . . . 26 GLY HA2 . 18372 1 360 . 1 1 26 26 GLY HA3 H 1 4.096 0.020 . 2 . . . . 26 GLY HA3 . 18372 1 361 . 1 1 26 26 GLY C C 13 174.355 0.400 . 1 . . . . 26 GLY C . 18372 1 362 . 1 1 26 26 GLY CA C 13 45.648 0.400 . 1 . . . . 26 GLY CA . 18372 1 363 . 1 1 26 26 GLY N N 15 105.950 0.400 . 1 . . . . 26 GLY N . 18372 1 364 . 1 1 27 27 TYR H H 1 7.653 0.020 . 1 . . . . 27 TYR H . 18372 1 365 . 1 1 27 27 TYR HA H 1 4.636 0.020 . 1 . . . . 27 TYR HA . 18372 1 366 . 1 1 27 27 TYR HB2 H 1 2.687 0.020 . 1 . . . . 27 TYR HB2 . 18372 1 367 . 1 1 27 27 TYR HB3 H 1 2.687 0.020 . 1 . . . . 27 TYR HB3 . 18372 1 368 . 1 1 27 27 TYR HD1 H 1 6.961 0.020 . 1 . . . . 27 TYR HD1 . 18372 1 369 . 1 1 27 27 TYR HD2 H 1 6.961 0.020 . 1 . . . . 27 TYR HD2 . 18372 1 370 . 1 1 27 27 TYR HE1 H 1 6.801 0.020 . 1 . . . . 27 TYR HE1 . 18372 1 371 . 1 1 27 27 TYR HE2 H 1 6.801 0.020 . 1 . . . . 27 TYR HE2 . 18372 1 372 . 1 1 27 27 TYR C C 13 175.068 0.400 . 1 . . . . 27 TYR C . 18372 1 373 . 1 1 27 27 TYR CA C 13 57.588 0.400 . 1 . . . . 27 TYR CA . 18372 1 374 . 1 1 27 27 TYR CB C 13 39.980 0.400 . 1 . . . . 27 TYR CB . 18372 1 375 . 1 1 27 27 TYR CD1 C 13 132.870 0.400 . 1 . . . . 27 TYR CD1 . 18372 1 376 . 1 1 27 27 TYR CD2 C 13 132.917 0.400 . 1 . . . . 27 TYR CD2 . 18372 1 377 . 1 1 27 27 TYR CE1 C 13 118.407 0.400 . 1 . . . . 27 TYR CE1 . 18372 1 378 . 1 1 27 27 TYR CE2 C 13 118.541 0.400 . 1 . . . . 27 TYR CE2 . 18372 1 379 . 1 1 27 27 TYR N N 15 119.109 0.400 . 1 . . . . 27 TYR N . 18372 1 380 . 1 1 28 28 GLN H H 1 8.353 0.020 . 1 . . . . 28 GLN H . 18372 1 381 . 1 1 28 28 GLN HA H 1 4.598 0.020 . 1 . . . . 28 GLN HA . 18372 1 382 . 1 1 28 28 GLN HB2 H 1 2.025 0.020 . 2 . . . . 28 GLN HB2 . 18372 1 383 . 1 1 28 28 GLN HB3 H 1 1.871 0.020 . 2 . . . . 28 GLN HB3 . 18372 1 384 . 1 1 28 28 GLN HG2 H 1 2.276 0.020 . 1 . . . . 28 GLN HG2 . 18372 1 385 . 1 1 28 28 GLN HG3 H 1 2.276 0.020 . 1 . . . . 28 GLN HG3 . 18372 1 386 . 1 1 28 28 GLN HE21 H 1 7.551 0.020 . 2 . . . . 28 GLN HE21 . 18372 1 387 . 1 1 28 28 GLN HE22 H 1 6.919 0.020 . 2 . . . . 28 GLN HE22 . 18372 1 388 . 1 1 28 28 GLN C C 13 174.636 0.400 . 1 . . . . 28 GLN C . 18372 1 389 . 1 1 28 28 GLN CA C 13 54.715 0.400 . 1 . . . . 28 GLN CA . 18372 1 390 . 1 1 28 28 GLN CB C 13 31.260 0.400 . 1 . . . . 28 GLN CB . 18372 1 391 . 1 1 28 28 GLN CG C 13 33.786 0.400 . 1 . . . . 28 GLN CG . 18372 1 392 . 1 1 28 28 GLN N N 15 118.732 0.400 . 1 . . . . 28 GLN N . 18372 1 393 . 1 1 28 28 GLN NE2 N 15 113.191 0.400 . 1 . . . . 28 GLN NE2 . 18372 1 394 . 1 1 29 29 VAL H H 1 8.761 0.020 . 1 . . . . 29 VAL H . 18372 1 395 . 1 1 29 29 VAL HA H 1 4.795 0.020 . 1 . . . . 29 VAL HA . 18372 1 396 . 1 1 29 29 VAL HB H 1 1.940 0.020 . 1 . . . . 29 VAL HB . 18372 1 397 . 1 1 29 29 VAL HG11 H 1 0.795 0.020 . 2 . . . . 29 VAL HG11 . 18372 1 398 . 1 1 29 29 VAL HG12 H 1 0.795 0.020 . 2 . . . . 29 VAL HG12 . 18372 1 399 . 1 1 29 29 VAL HG13 H 1 0.795 0.020 . 2 . . . . 29 VAL HG13 . 18372 1 400 . 1 1 29 29 VAL HG21 H 1 0.879 0.020 . 2 . . . . 29 VAL HG21 . 18372 1 401 . 1 1 29 29 VAL HG22 H 1 0.879 0.020 . 2 . . . . 29 VAL HG22 . 18372 1 402 . 1 1 29 29 VAL HG23 H 1 0.879 0.020 . 2 . . . . 29 VAL HG23 . 18372 1 403 . 1 1 29 29 VAL C C 13 175.374 0.400 . 1 . . . . 29 VAL C . 18372 1 404 . 1 1 29 29 VAL CA C 13 61.116 0.400 . 1 . . . . 29 VAL CA . 18372 1 405 . 1 1 29 29 VAL CB C 13 32.562 0.400 . 1 . . . . 29 VAL CB . 18372 1 406 . 1 1 29 29 VAL CG1 C 13 21.605 0.400 . 1 . . . . 29 VAL CG1 . 18372 1 407 . 1 1 29 29 VAL CG2 C 13 22.555 0.400 . 1 . . . . 29 VAL CG2 . 18372 1 408 . 1 1 29 29 VAL N N 15 122.762 0.400 . 1 . . . . 29 VAL N . 18372 1 409 . 1 1 30 30 ARG H H 1 8.890 0.020 . 1 . . . . 30 ARG H . 18372 1 410 . 1 1 30 30 ARG HA H 1 4.690 0.020 . 1 . . . . 30 ARG HA . 18372 1 411 . 1 1 30 30 ARG HB2 H 1 1.598 0.020 . 1 . . . . 30 ARG HB2 . 18372 1 412 . 1 1 30 30 ARG HB3 H 1 1.597 0.020 . 1 . . . . 30 ARG HB3 . 18372 1 413 . 1 1 30 30 ARG HG2 H 1 1.519 0.020 . 1 . . . . 30 ARG HG2 . 18372 1 414 . 1 1 30 30 ARG HG3 H 1 1.520 0.020 . 1 . . . . 30 ARG HG3 . 18372 1 415 . 1 1 30 30 ARG HD2 H 1 3.294 0.020 . 2 . . . . 30 ARG HD2 . 18372 1 416 . 1 1 30 30 ARG HD3 H 1 2.933 0.020 . 2 . . . . 30 ARG HD3 . 18372 1 417 . 1 1 30 30 ARG C C 13 173.534 0.400 . 1 . . . . 30 ARG C . 18372 1 418 . 1 1 30 30 ARG CA C 13 53.698 0.400 . 1 . . . . 30 ARG CA . 18372 1 419 . 1 1 30 30 ARG CB C 13 31.171 0.400 . 1 . . . . 30 ARG CB . 18372 1 420 . 1 1 30 30 ARG CG C 13 26.702 0.400 . 1 . . . . 30 ARG CG . 18372 1 421 . 1 1 30 30 ARG CD C 13 42.856 0.400 . 1 . . . . 30 ARG CD . 18372 1 422 . 1 1 30 30 ARG N N 15 127.398 0.400 . 1 . . . . 30 ARG N . 18372 1 423 . 1 1 31 31 ASP H H 1 8.389 0.020 . 1 . . . . 31 ASP H . 18372 1 424 . 1 1 31 31 ASP HA H 1 5.142 0.020 . 1 . . . . 31 ASP HA . 18372 1 425 . 1 1 31 31 ASP HB2 H 1 2.453 0.020 . 1 . . . . 31 ASP HB2 . 18372 1 426 . 1 1 31 31 ASP HB3 H 1 2.453 0.020 . 1 . . . . 31 ASP HB3 . 18372 1 427 . 1 1 31 31 ASP C C 13 175.561 0.400 . 1 . . . . 31 ASP C . 18372 1 428 . 1 1 31 31 ASP CA C 13 53.664 0.400 . 1 . . . . 31 ASP CA . 18372 1 429 . 1 1 31 31 ASP CB C 13 42.469 0.400 . 1 . . . . 31 ASP CB . 18372 1 430 . 1 1 31 31 ASP N N 15 123.263 0.400 . 1 . . . . 31 ASP N . 18372 1 431 . 1 1 32 32 VAL H H 1 8.401 0.020 . 1 . . . . 32 VAL H . 18372 1 432 . 1 1 32 32 VAL HA H 1 4.241 0.020 . 1 . . . . 32 VAL HA . 18372 1 433 . 1 1 32 32 VAL HB H 1 1.748 0.020 . 1 . . . . 32 VAL HB . 18372 1 434 . 1 1 32 32 VAL HG11 H 1 0.874 0.020 . 2 . . . . 32 VAL HG11 . 18372 1 435 . 1 1 32 32 VAL HG12 H 1 0.874 0.020 . 2 . . . . 32 VAL HG12 . 18372 1 436 . 1 1 32 32 VAL HG13 H 1 0.874 0.020 . 2 . . . . 32 VAL HG13 . 18372 1 437 . 1 1 32 32 VAL HG21 H 1 0.736 0.020 . 2 . . . . 32 VAL HG21 . 18372 1 438 . 1 1 32 32 VAL HG22 H 1 0.736 0.020 . 2 . . . . 32 VAL HG22 . 18372 1 439 . 1 1 32 32 VAL HG23 H 1 0.736 0.020 . 2 . . . . 32 VAL HG23 . 18372 1 440 . 1 1 32 32 VAL C C 13 173.909 0.400 . 1 . . . . 32 VAL C . 18372 1 441 . 1 1 32 32 VAL CA C 13 61.670 0.400 . 1 . . . . 32 VAL CA . 18372 1 442 . 1 1 32 32 VAL CB C 13 33.735 0.400 . 1 . . . . 32 VAL CB . 18372 1 443 . 1 1 32 32 VAL CG1 C 13 21.735 0.400 . 1 . . . . 32 VAL CG1 . 18372 1 444 . 1 1 32 32 VAL CG2 C 13 21.349 0.400 . 1 . . . . 32 VAL CG2 . 18372 1 445 . 1 1 32 32 VAL N N 15 120.714 0.400 . 1 . . . . 32 VAL N . 18372 1 446 . 1 1 33 33 ASN H H 1 9.658 0.020 . 1 . . . . 33 ASN H . 18372 1 447 . 1 1 33 33 ASN HA H 1 4.968 0.020 . 1 . . . . 33 ASN HA . 18372 1 448 . 1 1 33 33 ASN HB2 H 1 2.917 0.020 . 2 . . . . 33 ASN HB2 . 18372 1 449 . 1 1 33 33 ASN HB3 H 1 2.700 0.020 . 2 . . . . 33 ASN HB3 . 18372 1 450 . 1 1 33 33 ASN HD21 H 1 7.938 0.020 . 2 . . . . 33 ASN HD21 . 18372 1 451 . 1 1 33 33 ASN HD22 H 1 6.977 0.020 . 2 . . . . 33 ASN HD22 . 18372 1 452 . 1 1 33 33 ASN C C 13 174.315 0.400 . 1 . . . . 33 ASN C . 18372 1 453 . 1 1 33 33 ASN CA C 13 53.099 0.400 . 1 . . . . 33 ASN CA . 18372 1 454 . 1 1 33 33 ASN CB C 13 40.683 0.400 . 1 . . . . 33 ASN CB . 18372 1 455 . 1 1 33 33 ASN N N 15 122.810 0.400 . 1 . . . . 33 ASN N . 18372 1 456 . 1 1 33 33 ASN ND2 N 15 114.469 0.400 . 1 . . . . 33 ASN ND2 . 18372 1 457 . 1 1 34 34 ASP H H 1 7.648 0.020 . 1 . . . . 34 ASP H . 18372 1 458 . 1 1 34 34 ASP HA H 1 4.684 0.020 . 1 . . . . 34 ASP HA . 18372 1 459 . 1 1 34 34 ASP HB2 H 1 2.890 0.020 . 2 . . . . 34 ASP HB2 . 18372 1 460 . 1 1 34 34 ASP HB3 H 1 3.096 0.020 . 2 . . . . 34 ASP HB3 . 18372 1 461 . 1 1 34 34 ASP C C 13 175.709 0.400 . 1 . . . . 34 ASP C . 18372 1 462 . 1 1 34 34 ASP CA C 13 53.629 0.400 . 1 . . . . 34 ASP CA . 18372 1 463 . 1 1 34 34 ASP CB C 13 42.470 0.400 . 1 . . . . 34 ASP CB . 18372 1 464 . 1 1 34 34 ASP N N 15 115.181 0.400 . 1 . . . . 34 ASP N . 18372 1 465 . 1 1 35 35 SER H H 1 8.842 0.020 . 1 . . . . 35 SER H . 18372 1 466 . 1 1 35 35 SER HA H 1 4.054 0.020 . 1 . . . . 35 SER HA . 18372 1 467 . 1 1 35 35 SER HB2 H 1 3.908 0.020 . 2 . . . . 35 SER HB2 . 18372 1 468 . 1 1 35 35 SER HB3 H 1 3.956 0.020 . 2 . . . . 35 SER HB3 . 18372 1 469 . 1 1 35 35 SER C C 13 175.966 0.400 . 1 . . . . 35 SER C . 18372 1 470 . 1 1 35 35 SER CA C 13 61.817 0.400 . 1 . . . . 35 SER CA . 18372 1 471 . 1 1 35 35 SER CB C 13 63.056 0.400 . 1 . . . . 35 SER CB . 18372 1 472 . 1 1 35 35 SER N N 15 113.994 0.400 . 1 . . . . 35 SER N . 18372 1 473 . 1 1 36 36 ASP H H 1 8.381 0.020 . 1 . . . . 36 ASP H . 18372 1 474 . 1 1 36 36 ASP HA H 1 4.542 0.020 . 1 . . . . 36 ASP HA . 18372 1 475 . 1 1 36 36 ASP HB2 H 1 2.856 0.020 . 2 . . . . 36 ASP HB2 . 18372 1 476 . 1 1 36 36 ASP HB3 H 1 2.662 0.020 . 2 . . . . 36 ASP HB3 . 18372 1 477 . 1 1 36 36 ASP C C 13 179.162 0.400 . 1 . . . . 36 ASP C . 18372 1 478 . 1 1 36 36 ASP CA C 13 57.855 0.400 . 1 . . . . 36 ASP CA . 18372 1 479 . 1 1 36 36 ASP CB C 13 40.472 0.400 . 1 . . . . 36 ASP CB . 18372 1 480 . 1 1 36 36 ASP N N 15 124.962 0.400 . 1 . . . . 36 ASP N . 18372 1 481 . 1 1 37 37 GLU H H 1 9.020 0.020 . 1 . . . . 37 GLU H . 18372 1 482 . 1 1 37 37 GLU HA H 1 4.070 0.020 . 1 . . . . 37 GLU HA . 18372 1 483 . 1 1 37 37 GLU HB2 H 1 2.304 0.020 . 2 . . . . 37 GLU HB2 . 18372 1 484 . 1 1 37 37 GLU HB3 H 1 2.155 0.020 . 2 . . . . 37 GLU HB3 . 18372 1 485 . 1 1 37 37 GLU HG2 H 1 2.426 0.020 . 2 . . . . 37 GLU HG2 . 18372 1 486 . 1 1 37 37 GLU HG3 H 1 2.718 0.020 . 2 . . . . 37 GLU HG3 . 18372 1 487 . 1 1 37 37 GLU C C 13 178.623 0.400 . 1 . . . . 37 GLU C . 18372 1 488 . 1 1 37 37 GLU CA C 13 59.244 0.400 . 1 . . . . 37 GLU CA . 18372 1 489 . 1 1 37 37 GLU CB C 13 29.847 0.400 . 1 . . . . 37 GLU CB . 18372 1 490 . 1 1 37 37 GLU CG C 13 36.545 0.400 . 1 . . . . 37 GLU CG . 18372 1 491 . 1 1 37 37 GLU N N 15 122.712 0.400 . 1 . . . . 37 GLU N . 18372 1 492 . 1 1 38 38 LEU H H 1 8.193 0.020 . 1 . . . . 38 LEU H . 18372 1 493 . 1 1 38 38 LEU HA H 1 3.899 0.020 . 1 . . . . 38 LEU HA . 18372 1 494 . 1 1 38 38 LEU HB2 H 1 2.091 0.020 . 2 . . . . 38 LEU HB2 . 18372 1 495 . 1 1 38 38 LEU HB3 H 1 1.472 0.020 . 2 . . . . 38 LEU HB3 . 18372 1 496 . 1 1 38 38 LEU HG H 1 1.517 0.020 . 1 . . . . 38 LEU HG . 18372 1 497 . 1 1 38 38 LEU HD11 H 1 0.962 0.020 . 2 . . . . 38 LEU HD11 . 18372 1 498 . 1 1 38 38 LEU HD12 H 1 0.962 0.020 . 2 . . . . 38 LEU HD12 . 18372 1 499 . 1 1 38 38 LEU HD13 H 1 0.962 0.020 . 2 . . . . 38 LEU HD13 . 18372 1 500 . 1 1 38 38 LEU HD21 H 1 0.862 0.020 . 2 . . . . 38 LEU HD21 . 18372 1 501 . 1 1 38 38 LEU HD22 H 1 0.862 0.020 . 2 . . . . 38 LEU HD22 . 18372 1 502 . 1 1 38 38 LEU HD23 H 1 0.862 0.020 . 2 . . . . 38 LEU HD23 . 18372 1 503 . 1 1 38 38 LEU C C 13 177.763 0.400 . 1 . . . . 38 LEU C . 18372 1 504 . 1 1 38 38 LEU CA C 13 59.244 0.400 . 1 . . . . 38 LEU CA . 18372 1 505 . 1 1 38 38 LEU CB C 13 41.187 0.400 . 1 . . . . 38 LEU CB . 18372 1 506 . 1 1 38 38 LEU CG C 13 27.332 0.400 . 1 . . . . 38 LEU CG . 18372 1 507 . 1 1 38 38 LEU CD1 C 13 26.412 0.400 . 1 . . . . 38 LEU CD1 . 18372 1 508 . 1 1 38 38 LEU CD2 C 13 25.562 0.400 . 1 . . . . 38 LEU CD2 . 18372 1 509 . 1 1 38 38 LEU N N 15 119.565 0.400 . 1 . . . . 38 LEU N . 18372 1 510 . 1 1 39 39 LYS H H 1 7.808 0.020 . 1 . . . . 39 LYS H . 18372 1 511 . 1 1 39 39 LYS HA H 1 3.841 0.020 . 1 . . . . 39 LYS HA . 18372 1 512 . 1 1 39 39 LYS HB2 H 1 1.924 0.020 . 2 . . . . 39 LYS HB2 . 18372 1 513 . 1 1 39 39 LYS HB3 H 1 1.993 0.020 . 2 . . . . 39 LYS HB3 . 18372 1 514 . 1 1 39 39 LYS HG2 H 1 1.464 0.020 . 2 . . . . 39 LYS HG2 . 18372 1 515 . 1 1 39 39 LYS HG3 H 1 1.698 0.020 . 2 . . . . 39 LYS HG3 . 18372 1 516 . 1 1 39 39 LYS HD2 H 1 1.746 0.020 . 2 . . . . 39 LYS HD2 . 18372 1 517 . 1 1 39 39 LYS HD3 H 1 1.692 0.020 . 2 . . . . 39 LYS HD3 . 18372 1 518 . 1 1 39 39 LYS HE2 H 1 2.982 0.020 . 1 . . . . 39 LYS HE2 . 18372 1 519 . 1 1 39 39 LYS HE3 H 1 2.981 0.020 . 1 . . . . 39 LYS HE3 . 18372 1 520 . 1 1 39 39 LYS C C 13 179.629 0.400 . 1 . . . . 39 LYS C . 18372 1 521 . 1 1 39 39 LYS CA C 13 60.116 0.400 . 1 . . . . 39 LYS CA . 18372 1 522 . 1 1 39 39 LYS CB C 13 32.143 0.400 . 1 . . . . 39 LYS CB . 18372 1 523 . 1 1 39 39 LYS CG C 13 25.419 0.400 . 1 . . . . 39 LYS CG . 18372 1 524 . 1 1 39 39 LYS CD C 13 29.306 0.400 . 1 . . . . 39 LYS CD . 18372 1 525 . 1 1 39 39 LYS CE C 13 41.972 0.400 . 1 . . . . 39 LYS CE . 18372 1 526 . 1 1 39 39 LYS N N 15 118.449 0.400 . 1 . . . . 39 LYS N . 18372 1 527 . 1 1 40 40 LYS H H 1 7.814 0.020 . 1 . . . . 40 LYS H . 18372 1 528 . 1 1 40 40 LYS HA H 1 4.018 0.020 . 1 . . . . 40 LYS HA . 18372 1 529 . 1 1 40 40 LYS HB2 H 1 1.990 0.020 . 2 . . . . 40 LYS HB2 . 18372 1 530 . 1 1 40 40 LYS HB3 H 1 1.945 0.020 . 2 . . . . 40 LYS HB3 . 18372 1 531 . 1 1 40 40 LYS HG2 H 1 1.379 0.020 . 2 . . . . 40 LYS HG2 . 18372 1 532 . 1 1 40 40 LYS HG3 H 1 1.620 0.020 . 2 . . . . 40 LYS HG3 . 18372 1 533 . 1 1 40 40 LYS HD2 H 1 1.681 0.020 . 1 . . . . 40 LYS HD2 . 18372 1 534 . 1 1 40 40 LYS HD3 H 1 1.680 0.020 . 1 . . . . 40 LYS HD3 . 18372 1 535 . 1 1 40 40 LYS HE2 H 1 2.968 0.020 . 2 . . . . 40 LYS HE2 . 18372 1 536 . 1 1 40 40 LYS HE3 H 1 2.966 0.020 . 2 . . . . 40 LYS HE3 . 18372 1 537 . 1 1 40 40 LYS C C 13 179.560 0.400 . 1 . . . . 40 LYS C . 18372 1 538 . 1 1 40 40 LYS CA C 13 59.758 0.400 . 1 . . . . 40 LYS CA . 18372 1 539 . 1 1 40 40 LYS CB C 13 32.853 0.400 . 1 . . . . 40 LYS CB . 18372 1 540 . 1 1 40 40 LYS CG C 13 24.982 0.400 . 1 . . . . 40 LYS CG . 18372 1 541 . 1 1 40 40 LYS CD C 13 29.333 0.400 . 1 . . . . 40 LYS CD . 18372 1 542 . 1 1 40 40 LYS CE C 13 41.780 0.400 . 1 . . . . 40 LYS CE . 18372 1 543 . 1 1 40 40 LYS N N 15 119.355 0.400 . 1 . . . . 40 LYS N . 18372 1 544 . 1 1 41 41 GLU H H 1 8.761 0.020 . 1 . . . . 41 GLU H . 18372 1 545 . 1 1 41 41 GLU HA H 1 4.262 0.020 . 1 . . . . 41 GLU HA . 18372 1 546 . 1 1 41 41 GLU HB2 H 1 1.939 0.020 . 1 . . . . 41 GLU HB2 . 18372 1 547 . 1 1 41 41 GLU HB3 H 1 1.938 0.020 . 1 . . . . 41 GLU HB3 . 18372 1 548 . 1 1 41 41 GLU HG2 H 1 2.133 0.020 . 2 . . . . 41 GLU HG2 . 18372 1 549 . 1 1 41 41 GLU HG3 H 1 2.471 0.020 . 2 . . . . 41 GLU HG3 . 18372 1 550 . 1 1 41 41 GLU C C 13 179.704 0.400 . 1 . . . . 41 GLU C . 18372 1 551 . 1 1 41 41 GLU CA C 13 57.892 0.400 . 1 . . . . 41 GLU CA . 18372 1 552 . 1 1 41 41 GLU CB C 13 28.169 0.400 . 1 . . . . 41 GLU CB . 18372 1 553 . 1 1 41 41 GLU CG C 13 35.292 0.400 . 1 . . . . 41 GLU CG . 18372 1 554 . 1 1 41 41 GLU N N 15 119.468 0.400 . 1 . . . . 41 GLU N . 18372 1 555 . 1 1 42 42 MET H H 1 8.807 0.020 . 1 . . . . 42 MET H . 18372 1 556 . 1 1 42 42 MET HA H 1 4.434 0.020 . 1 . . . . 42 MET HA . 18372 1 557 . 1 1 42 42 MET HB2 H 1 2.197 0.020 . 2 . . . . 42 MET HB2 . 18372 1 558 . 1 1 42 42 MET HB3 H 1 1.928 0.020 . 2 . . . . 42 MET HB3 . 18372 1 559 . 1 1 42 42 MET HG2 H 1 2.696 0.020 . 2 . . . . 42 MET HG2 . 18372 1 560 . 1 1 42 42 MET HG3 H 1 2.756 0.020 . 2 . . . . 42 MET HG3 . 18372 1 561 . 1 1 42 42 MET HE1 H 1 1.828 0.020 . 1 . . . . 42 MET HE1 . 18372 1 562 . 1 1 42 42 MET HE2 H 1 1.828 0.020 . 1 . . . . 42 MET HE2 . 18372 1 563 . 1 1 42 42 MET HE3 H 1 1.828 0.020 . 1 . . . . 42 MET HE3 . 18372 1 564 . 1 1 42 42 MET C C 13 179.159 0.400 . 1 . . . . 42 MET C . 18372 1 565 . 1 1 42 42 MET CA C 13 56.674 0.400 . 1 . . . . 42 MET CA . 18372 1 566 . 1 1 42 42 MET CB C 13 31.543 0.400 . 1 . . . . 42 MET CB . 18372 1 567 . 1 1 42 42 MET CG C 13 32.468 0.400 . 1 . . . . 42 MET CG . 18372 1 568 . 1 1 42 42 MET CE C 13 18.016 0.400 . 1 . . . . 42 MET CE . 18372 1 569 . 1 1 42 42 MET N N 15 118.449 0.400 . 1 . . . . 42 MET N . 18372 1 570 . 1 1 43 43 LYS H H 1 7.536 0.020 . 1 . . . . 43 LYS H . 18372 1 571 . 1 1 43 43 LYS HA H 1 4.075 0.020 . 1 . . . . 43 LYS HA . 18372 1 572 . 1 1 43 43 LYS HB2 H 1 1.931 0.020 . 1 . . . . 43 LYS HB2 . 18372 1 573 . 1 1 43 43 LYS HB3 H 1 1.931 0.020 . 1 . . . . 43 LYS HB3 . 18372 1 574 . 1 1 43 43 LYS HG2 H 1 1.513 0.020 . 2 . . . . 43 LYS HG2 . 18372 1 575 . 1 1 43 43 LYS HG3 H 1 1.386 0.020 . 2 . . . . 43 LYS HG3 . 18372 1 576 . 1 1 43 43 LYS HD2 H 1 1.692 0.020 . 1 . . . . 43 LYS HD2 . 18372 1 577 . 1 1 43 43 LYS HD3 H 1 1.691 0.020 . 1 . . . . 43 LYS HD3 . 18372 1 578 . 1 1 43 43 LYS HE2 H 1 2.980 0.020 . 1 . . . . 43 LYS HE2 . 18372 1 579 . 1 1 43 43 LYS HE3 H 1 2.980 0.020 . 1 . . . . 43 LYS HE3 . 18372 1 580 . 1 1 43 43 LYS C C 13 178.312 0.400 . 1 . . . . 43 LYS C . 18372 1 581 . 1 1 43 43 LYS CA C 13 59.538 0.400 . 1 . . . . 43 LYS CA . 18372 1 582 . 1 1 43 43 LYS CB C 13 32.000 0.400 . 1 . . . . 43 LYS CB . 18372 1 583 . 1 1 43 43 LYS CG C 13 24.910 0.400 . 1 . . . . 43 LYS CG . 18372 1 584 . 1 1 43 43 LYS CD C 13 29.284 0.400 . 1 . . . . 43 LYS CD . 18372 1 585 . 1 1 43 43 LYS CE C 13 41.780 0.400 . 1 . . . . 43 LYS CE . 18372 1 586 . 1 1 43 43 LYS N N 15 121.111 0.400 . 1 . . . . 43 LYS N . 18372 1 587 . 1 1 44 44 LYS H H 1 7.417 0.020 . 1 . . . . 44 LYS H . 18372 1 588 . 1 1 44 44 LYS HA H 1 4.060 0.020 . 1 . . . . 44 LYS HA . 18372 1 589 . 1 1 44 44 LYS HB2 H 1 1.911 0.020 . 2 . . . . 44 LYS HB2 . 18372 1 590 . 1 1 44 44 LYS HB3 H 1 1.906 0.020 . 2 . . . . 44 LYS HB3 . 18372 1 591 . 1 1 44 44 LYS HG2 H 1 1.582 0.020 . 2 . . . . 44 LYS HG2 . 18372 1 592 . 1 1 44 44 LYS HG3 H 1 1.438 0.020 . 2 . . . . 44 LYS HG3 . 18372 1 593 . 1 1 44 44 LYS HD2 H 1 1.703 0.020 . 1 . . . . 44 LYS HD2 . 18372 1 594 . 1 1 44 44 LYS HD3 H 1 1.702 0.020 . 1 . . . . 44 LYS HD3 . 18372 1 595 . 1 1 44 44 LYS HE2 H 1 2.930 0.020 . 1 . . . . 44 LYS HE2 . 18372 1 596 . 1 1 44 44 LYS HE3 H 1 2.930 0.020 . 1 . . . . 44 LYS HE3 . 18372 1 597 . 1 1 44 44 LYS C C 13 179.466 0.400 . 1 . . . . 44 LYS C . 18372 1 598 . 1 1 44 44 LYS CA C 13 59.333 0.400 . 1 . . . . 44 LYS CA . 18372 1 599 . 1 1 44 44 LYS CB C 13 32.153 0.400 . 1 . . . . 44 LYS CB . 18372 1 600 . 1 1 44 44 LYS CG C 13 24.910 0.400 . 1 . . . . 44 LYS CG . 18372 1 601 . 1 1 44 44 LYS CD C 13 29.284 0.400 . 1 . . . . 44 LYS CD . 18372 1 602 . 1 1 44 44 LYS CE C 13 41.780 0.400 . 1 . . . . 44 LYS CE . 18372 1 603 . 1 1 44 44 LYS N N 15 118.279 0.400 . 1 . . . . 44 LYS N . 18372 1 604 . 1 1 45 45 LEU H H 1 8.102 0.020 . 1 . . . . 45 LEU H . 18372 1 605 . 1 1 45 45 LEU HA H 1 4.151 0.020 . 1 . . . . 45 LEU HA . 18372 1 606 . 1 1 45 45 LEU HB2 H 1 1.853 0.020 . 2 . . . . 45 LEU HB2 . 18372 1 607 . 1 1 45 45 LEU HB3 H 1 1.518 0.020 . 2 . . . . 45 LEU HB3 . 18372 1 608 . 1 1 45 45 LEU HG H 1 1.848 0.020 . 1 . . . . 45 LEU HG . 18372 1 609 . 1 1 45 45 LEU HD11 H 1 0.716 0.020 . 2 . . . . 45 LEU HD11 . 18372 1 610 . 1 1 45 45 LEU HD12 H 1 0.716 0.020 . 2 . . . . 45 LEU HD12 . 18372 1 611 . 1 1 45 45 LEU HD13 H 1 0.716 0.020 . 2 . . . . 45 LEU HD13 . 18372 1 612 . 1 1 45 45 LEU HD21 H 1 0.688 0.020 . 2 . . . . 45 LEU HD21 . 18372 1 613 . 1 1 45 45 LEU HD22 H 1 0.688 0.020 . 2 . . . . 45 LEU HD22 . 18372 1 614 . 1 1 45 45 LEU HD23 H 1 0.688 0.020 . 2 . . . . 45 LEU HD23 . 18372 1 615 . 1 1 45 45 LEU C C 13 178.582 0.400 . 1 . . . . 45 LEU C . 18372 1 616 . 1 1 45 45 LEU CA C 13 57.268 0.400 . 1 . . . . 45 LEU CA . 18372 1 617 . 1 1 45 45 LEU CB C 13 41.893 0.400 . 1 . . . . 45 LEU CB . 18372 1 618 . 1 1 45 45 LEU CG C 13 26.770 0.400 . 1 . . . . 45 LEU CG . 18372 1 619 . 1 1 45 45 LEU CD1 C 13 25.356 0.400 . 1 . . . . 45 LEU CD1 . 18372 1 620 . 1 1 45 45 LEU CD2 C 13 23.965 0.400 . 1 . . . . 45 LEU CD2 . 18372 1 621 . 1 1 45 45 LEU N N 15 117.797 0.400 . 1 . . . . 45 LEU N . 18372 1 622 . 1 1 46 46 ALA H H 1 7.688 0.020 . 1 . . . . 46 ALA H . 18372 1 623 . 1 1 46 46 ALA HA H 1 4.289 0.020 . 1 . . . . 46 ALA HA . 18372 1 624 . 1 1 46 46 ALA HB1 H 1 1.576 0.020 . 1 . . . . 46 ALA HB1 . 18372 1 625 . 1 1 46 46 ALA HB2 H 1 1.576 0.020 . 1 . . . . 46 ALA HB2 . 18372 1 626 . 1 1 46 46 ALA HB3 H 1 1.576 0.020 . 1 . . . . 46 ALA HB3 . 18372 1 627 . 1 1 46 46 ALA C C 13 178.812 0.400 . 1 . . . . 46 ALA C . 18372 1 628 . 1 1 46 46 ALA CA C 13 53.803 0.400 . 1 . . . . 46 ALA CA . 18372 1 629 . 1 1 46 46 ALA CB C 13 18.937 0.400 . 1 . . . . 46 ALA CB . 18372 1 630 . 1 1 46 46 ALA N N 15 119.072 0.400 . 1 . . . . 46 ALA N . 18372 1 631 . 1 1 47 47 GLU H H 1 7.683 0.020 . 1 . . . . 47 GLU H . 18372 1 632 . 1 1 47 47 GLU HA H 1 4.277 0.020 . 1 . . . . 47 GLU HA . 18372 1 633 . 1 1 47 47 GLU HB2 H 1 2.056 0.020 . 2 . . . . 47 GLU HB2 . 18372 1 634 . 1 1 47 47 GLU HB3 H 1 2.129 0.020 . 2 . . . . 47 GLU HB3 . 18372 1 635 . 1 1 47 47 GLU HG2 H 1 2.295 0.020 . 2 . . . . 47 GLU HG2 . 18372 1 636 . 1 1 47 47 GLU HG3 H 1 2.509 0.020 . 2 . . . . 47 GLU HG3 . 18372 1 637 . 1 1 47 47 GLU C C 13 176.701 0.400 . 1 . . . . 47 GLU C . 18372 1 638 . 1 1 47 47 GLU CA C 13 56.898 0.400 . 1 . . . . 47 GLU CA . 18372 1 639 . 1 1 47 47 GLU CB C 13 30.515 0.400 . 1 . . . . 47 GLU CB . 18372 1 640 . 1 1 47 47 GLU CG C 13 36.271 0.400 . 1 . . . . 47 GLU CG . 18372 1 641 . 1 1 47 47 GLU N N 15 115.786 0.400 . 1 . . . . 47 GLU N . 18372 1 642 . 1 1 48 48 GLU H H 1 7.843 0.020 . 1 . . . . 48 GLU H . 18372 1 643 . 1 1 48 48 GLU HA H 1 4.331 0.020 . 1 . . . . 48 GLU HA . 18372 1 644 . 1 1 48 48 GLU HB2 H 1 2.082 0.020 . 2 . . . . 48 GLU HB2 . 18372 1 645 . 1 1 48 48 GLU HB3 H 1 2.138 0.020 . 2 . . . . 48 GLU HB3 . 18372 1 646 . 1 1 48 48 GLU HG2 H 1 2.295 0.020 . 2 . . . . 48 GLU HG2 . 18372 1 647 . 1 1 48 48 GLU HG3 H 1 2.339 0.020 . 2 . . . . 48 GLU HG3 . 18372 1 648 . 1 1 48 48 GLU CA C 13 56.471 0.400 . 1 . . . . 48 GLU CA . 18372 1 649 . 1 1 48 48 GLU CB C 13 29.771 0.400 . 1 . . . . 48 GLU CB . 18372 1 650 . 1 1 48 48 GLU CG C 13 36.410 0.400 . 1 . . . . 48 GLU CG . 18372 1 651 . 1 1 48 48 GLU N N 15 120.544 0.400 . 1 . . . . 48 GLU N . 18372 1 652 . 1 1 49 49 LYS HA H 1 4.337 0.020 . 1 . . . . 49 LYS HA . 18372 1 653 . 1 1 49 49 LYS HB2 H 1 1.899 0.020 . 2 . . . . 49 LYS HB2 . 18372 1 654 . 1 1 49 49 LYS HB3 H 1 1.755 0.020 . 2 . . . . 49 LYS HB3 . 18372 1 655 . 1 1 49 49 LYS HG2 H 1 1.458 0.020 . 1 . . . . 49 LYS HG2 . 18372 1 656 . 1 1 49 49 LYS HG3 H 1 1.458 0.020 . 1 . . . . 49 LYS HG3 . 18372 1 657 . 1 1 49 49 LYS HD2 H 1 1.682 0.020 . 1 . . . . 49 LYS HD2 . 18372 1 658 . 1 1 49 49 LYS HD3 H 1 1.682 0.020 . 1 . . . . 49 LYS HD3 . 18372 1 659 . 1 1 49 49 LYS HE2 H 1 3.015 0.020 . 1 . . . . 49 LYS HE2 . 18372 1 660 . 1 1 49 49 LYS HE3 H 1 3.015 0.020 . 1 . . . . 49 LYS HE3 . 18372 1 661 . 1 1 49 49 LYS C C 13 176.406 0.400 . 1 . . . . 49 LYS C . 18372 1 662 . 1 1 49 49 LYS CA C 13 56.351 0.400 . 1 . . . . 49 LYS CA . 18372 1 663 . 1 1 49 49 LYS CB C 13 32.425 0.400 . 1 . . . . 49 LYS CB . 18372 1 664 . 1 1 49 49 LYS CG C 13 24.653 0.400 . 1 . . . . 49 LYS CG . 18372 1 665 . 1 1 49 49 LYS CD C 13 28.780 0.400 . 1 . . . . 49 LYS CD . 18372 1 666 . 1 1 49 49 LYS CE C 13 41.990 0.400 . 1 . . . . 49 LYS CE . 18372 1 667 . 1 1 50 50 ASN H H 1 8.542 0.020 . 1 . . . . 50 ASN H . 18372 1 668 . 1 1 50 50 ASN HA H 1 4.664 0.020 . 1 . . . . 50 ASN HA . 18372 1 669 . 1 1 50 50 ASN HB2 H 1 2.720 0.020 . 1 . . . . 50 ASN HB2 . 18372 1 670 . 1 1 50 50 ASN HB3 H 1 2.719 0.020 . 1 . . . . 50 ASN HB3 . 18372 1 671 . 1 1 50 50 ASN HD21 H 1 7.619 0.020 . 2 . . . . 50 ASN HD21 . 18372 1 672 . 1 1 50 50 ASN HD22 H 1 6.910 0.020 . 2 . . . . 50 ASN HD22 . 18372 1 673 . 1 1 50 50 ASN C C 13 174.514 0.400 . 1 . . . . 50 ASN C . 18372 1 674 . 1 1 50 50 ASN CA C 13 53.348 0.400 . 1 . . . . 50 ASN CA . 18372 1 675 . 1 1 50 50 ASN CB C 13 38.999 0.400 . 1 . . . . 50 ASN CB . 18372 1 676 . 1 1 50 50 ASN N N 15 118.015 0.400 . 1 . . . . 50 ASN N . 18372 1 677 . 1 1 50 50 ASN ND2 N 15 113.384 0.400 . 1 . . . . 50 ASN ND2 . 18372 1 678 . 1 1 51 51 PHE H H 1 8.272 0.020 . 1 . . . . 51 PHE H . 18372 1 679 . 1 1 51 51 PHE HA H 1 4.708 0.020 . 1 . . . . 51 PHE HA . 18372 1 680 . 1 1 51 51 PHE HB2 H 1 3.075 0.020 . 2 . . . . 51 PHE HB2 . 18372 1 681 . 1 1 51 51 PHE HB3 H 1 3.043 0.020 . 2 . . . . 51 PHE HB3 . 18372 1 682 . 1 1 51 51 PHE HD1 H 1 7.189 0.020 . 1 . . . . 51 PHE HD1 . 18372 1 683 . 1 1 51 51 PHE HD2 H 1 7.189 0.020 . 1 . . . . 51 PHE HD2 . 18372 1 684 . 1 1 51 51 PHE HE1 H 1 7.254 0.020 . 1 . . . . 51 PHE HE1 . 18372 1 685 . 1 1 51 51 PHE HE2 H 1 7.254 0.020 . 1 . . . . 51 PHE HE2 . 18372 1 686 . 1 1 51 51 PHE HZ H 1 7.175 0.020 . 1 . . . . 51 PHE HZ . 18372 1 687 . 1 1 51 51 PHE C C 13 175.125 0.400 . 1 . . . . 51 PHE C . 18372 1 688 . 1 1 51 51 PHE CA C 13 57.919 0.400 . 1 . . . . 51 PHE CA . 18372 1 689 . 1 1 51 51 PHE CB C 13 39.021 0.400 . 1 . . . . 51 PHE CB . 18372 1 690 . 1 1 51 51 PHE CD1 C 13 131.731 0.400 . 1 . . . . 51 PHE CD1 . 18372 1 691 . 1 1 51 51 PHE CD2 C 13 131.836 0.400 . 1 . . . . 51 PHE CD2 . 18372 1 692 . 1 1 51 51 PHE CE1 C 13 131.209 0.400 . 1 . . . . 51 PHE CE1 . 18372 1 693 . 1 1 51 51 PHE CZ C 13 129.615 0.400 . 1 . . . . 51 PHE CZ . 18372 1 694 . 1 1 51 51 PHE N N 15 119.977 0.400 . 1 . . . . 51 PHE N . 18372 1 695 . 1 1 52 52 GLU H H 1 7.820 0.020 . 1 . . . . 52 GLU H . 18372 1 696 . 1 1 52 52 GLU HA H 1 4.331 0.020 . 1 . . . . 52 GLU HA . 18372 1 697 . 1 1 52 52 GLU HB2 H 1 1.822 0.020 . 2 . . . . 52 GLU HB2 . 18372 1 698 . 1 1 52 52 GLU HB3 H 1 2.016 0.020 . 2 . . . . 52 GLU HB3 . 18372 1 699 . 1 1 52 52 GLU HG2 H 1 2.173 0.020 . 1 . . . . 52 GLU HG2 . 18372 1 700 . 1 1 52 52 GLU HG3 H 1 2.173 0.020 . 1 . . . . 52 GLU HG3 . 18372 1 701 . 1 1 52 52 GLU C C 13 174.664 0.400 . 1 . . . . 52 GLU C . 18372 1 702 . 1 1 52 52 GLU CA C 13 56.272 0.400 . 1 . . . . 52 GLU CA . 18372 1 703 . 1 1 52 52 GLU CB C 13 32.353 0.400 . 1 . . . . 52 GLU CB . 18372 1 704 . 1 1 52 52 GLU CG C 13 36.666 0.400 . 1 . . . . 52 GLU CG . 18372 1 705 . 1 1 52 52 GLU N N 15 121.735 0.400 . 1 . . . . 52 GLU N . 18372 1 706 . 1 1 53 53 LYS H H 1 7.954 0.020 . 1 . . . . 53 LYS H . 18372 1 707 . 1 1 53 53 LYS HA H 1 4.664 0.020 . 1 . . . . 53 LYS HA . 18372 1 708 . 1 1 53 53 LYS HB2 H 1 0.684 0.020 . 2 . . . . 53 LYS HB2 . 18372 1 709 . 1 1 53 53 LYS HB3 H 1 1.297 0.020 . 2 . . . . 53 LYS HB3 . 18372 1 710 . 1 1 53 53 LYS HG2 H 1 1.187 0.020 . 2 . . . . 53 LYS HG2 . 18372 1 711 . 1 1 53 53 LYS HG3 H 1 0.997 0.020 . 2 . . . . 53 LYS HG3 . 18372 1 712 . 1 1 53 53 LYS HD2 H 1 1.212 0.020 . 1 . . . . 53 LYS HD2 . 18372 1 713 . 1 1 53 53 LYS HD3 H 1 1.212 0.020 . 1 . . . . 53 LYS HD3 . 18372 1 714 . 1 1 53 53 LYS HE2 H 1 2.750 0.020 . 2 . . . . 53 LYS HE2 . 18372 1 715 . 1 1 53 53 LYS HE3 H 1 2.706 0.020 . 2 . . . . 53 LYS HE3 . 18372 1 716 . 1 1 53 53 LYS C C 13 174.795 0.400 . 1 . . . . 53 LYS C . 18372 1 717 . 1 1 53 53 LYS CA C 13 55.708 0.400 . 1 . . . . 53 LYS CA . 18372 1 718 . 1 1 53 53 LYS CB C 13 32.511 0.400 . 1 . . . . 53 LYS CB . 18372 1 719 . 1 1 53 53 LYS CG C 13 25.026 0.400 . 1 . . . . 53 LYS CG . 18372 1 720 . 1 1 53 53 LYS CD C 13 29.350 0.400 . 1 . . . . 53 LYS CD . 18372 1 721 . 1 1 53 53 LYS CE C 13 42.245 0.400 . 1 . . . . 53 LYS CE . 18372 1 722 . 1 1 53 53 LYS N N 15 120.219 0.400 . 1 . . . . 53 LYS N . 18372 1 723 . 1 1 54 54 ILE H H 1 8.469 0.020 . 1 . . . . 54 ILE H . 18372 1 724 . 1 1 54 54 ILE HA H 1 4.674 0.020 . 1 . . . . 54 ILE HA . 18372 1 725 . 1 1 54 54 ILE HB H 1 1.645 0.020 . 1 . . . . 54 ILE HB . 18372 1 726 . 1 1 54 54 ILE HG12 H 1 1.316 0.020 . 2 . . . . 54 ILE HG12 . 18372 1 727 . 1 1 54 54 ILE HG13 H 1 0.974 0.020 . 2 . . . . 54 ILE HG13 . 18372 1 728 . 1 1 54 54 ILE HG21 H 1 0.736 0.020 . 1 . . . . 54 ILE HG21 . 18372 1 729 . 1 1 54 54 ILE HG22 H 1 0.736 0.020 . 1 . . . . 54 ILE HG22 . 18372 1 730 . 1 1 54 54 ILE HG23 H 1 0.736 0.020 . 1 . . . . 54 ILE HG23 . 18372 1 731 . 1 1 54 54 ILE HD11 H 1 0.664 0.020 . 1 . . . . 54 ILE HD11 . 18372 1 732 . 1 1 54 54 ILE HD12 H 1 0.664 0.020 . 1 . . . . 54 ILE HD12 . 18372 1 733 . 1 1 54 54 ILE HD13 H 1 0.664 0.020 . 1 . . . . 54 ILE HD13 . 18372 1 734 . 1 1 54 54 ILE C C 13 173.211 0.400 . 1 . . . . 54 ILE C . 18372 1 735 . 1 1 54 54 ILE CA C 13 59.798 0.400 . 1 . . . . 54 ILE CA . 18372 1 736 . 1 1 54 54 ILE CB C 13 41.360 0.400 . 1 . . . . 54 ILE CB . 18372 1 737 . 1 1 54 54 ILE CG1 C 13 27.420 0.400 . 1 . . . . 54 ILE CG1 . 18372 1 738 . 1 1 54 54 ILE CG2 C 13 17.691 0.400 . 1 . . . . 54 ILE CG2 . 18372 1 739 . 1 1 54 54 ILE CD1 C 13 13.410 0.400 . 1 . . . . 54 ILE CD1 . 18372 1 740 . 1 1 54 54 ILE N N 15 123.072 0.400 . 1 . . . . 54 ILE N . 18372 1 741 . 1 1 55 55 LEU H H 1 8.631 0.020 . 1 . . . . 55 LEU H . 18372 1 742 . 1 1 55 55 LEU HA H 1 5.363 0.020 . 1 . . . . 55 LEU HA . 18372 1 743 . 1 1 55 55 LEU HB2 H 1 1.502 0.020 . 1 . . . . 55 LEU HB2 . 18372 1 744 . 1 1 55 55 LEU HB3 H 1 1.502 0.020 . 1 . . . . 55 LEU HB3 . 18372 1 745 . 1 1 55 55 LEU HG H 1 1.563 0.020 . 1 . . . . 55 LEU HG . 18372 1 746 . 1 1 55 55 LEU HD11 H 1 0.746 0.020 . 2 . . . . 55 LEU HD11 . 18372 1 747 . 1 1 55 55 LEU HD12 H 1 0.746 0.020 . 2 . . . . 55 LEU HD12 . 18372 1 748 . 1 1 55 55 LEU HD13 H 1 0.746 0.020 . 2 . . . . 55 LEU HD13 . 18372 1 749 . 1 1 55 55 LEU HD21 H 1 0.712 0.020 . 2 . . . . 55 LEU HD21 . 18372 1 750 . 1 1 55 55 LEU HD22 H 1 0.712 0.020 . 2 . . . . 55 LEU HD22 . 18372 1 751 . 1 1 55 55 LEU HD23 H 1 0.712 0.020 . 2 . . . . 55 LEU HD23 . 18372 1 752 . 1 1 55 55 LEU C C 13 174.516 0.400 . 1 . . . . 55 LEU C . 18372 1 753 . 1 1 55 55 LEU CA C 13 54.066 0.400 . 1 . . . . 55 LEU CA . 18372 1 754 . 1 1 55 55 LEU CB C 13 44.925 0.400 . 1 . . . . 55 LEU CB . 18372 1 755 . 1 1 55 55 LEU CG C 13 27.833 0.400 . 1 . . . . 55 LEU CG . 18372 1 756 . 1 1 55 55 LEU CD1 C 13 26.714 0.400 . 1 . . . . 55 LEU CD1 . 18372 1 757 . 1 1 55 55 LEU CD2 C 13 26.942 0.400 . 1 . . . . 55 LEU CD2 . 18372 1 758 . 1 1 55 55 LEU N N 15 127.794 0.400 . 1 . . . . 55 LEU N . 18372 1 759 . 1 1 56 56 ILE H H 1 8.864 0.020 . 1 . . . . 56 ILE H . 18372 1 760 . 1 1 56 56 ILE HA H 1 5.069 0.020 . 1 . . . . 56 ILE HA . 18372 1 761 . 1 1 56 56 ILE HB H 1 1.630 0.020 . 1 . . . . 56 ILE HB . 18372 1 762 . 1 1 56 56 ILE HG12 H 1 1.434 0.020 . 2 . . . . 56 ILE HG12 . 18372 1 763 . 1 1 56 56 ILE HG13 H 1 0.928 0.020 . 2 . . . . 56 ILE HG13 . 18372 1 764 . 1 1 56 56 ILE HG21 H 1 0.694 0.020 . 1 . . . . 56 ILE HG21 . 18372 1 765 . 1 1 56 56 ILE HG22 H 1 0.694 0.020 . 1 . . . . 56 ILE HG22 . 18372 1 766 . 1 1 56 56 ILE HG23 H 1 0.694 0.020 . 1 . . . . 56 ILE HG23 . 18372 1 767 . 1 1 56 56 ILE HD11 H 1 0.649 0.020 . 1 . . . . 56 ILE HD11 . 18372 1 768 . 1 1 56 56 ILE HD12 H 1 0.649 0.020 . 1 . . . . 56 ILE HD12 . 18372 1 769 . 1 1 56 56 ILE HD13 H 1 0.649 0.020 . 1 . . . . 56 ILE HD13 . 18372 1 770 . 1 1 56 56 ILE C C 13 174.219 0.400 . 1 . . . . 56 ILE C . 18372 1 771 . 1 1 56 56 ILE CA C 13 59.121 0.400 . 1 . . . . 56 ILE CA . 18372 1 772 . 1 1 56 56 ILE CB C 13 40.493 0.400 . 1 . . . . 56 ILE CB . 18372 1 773 . 1 1 56 56 ILE CG1 C 13 27.859 0.400 . 1 . . . . 56 ILE CG1 . 18372 1 774 . 1 1 56 56 ILE CG2 C 13 17.188 0.400 . 1 . . . . 56 ILE CG2 . 18372 1 775 . 1 1 56 56 ILE CD1 C 13 12.971 0.400 . 1 . . . . 56 ILE CD1 . 18372 1 776 . 1 1 56 56 ILE N N 15 124.994 0.400 . 1 . . . . 56 ILE N . 18372 1 777 . 1 1 57 57 ILE H H 1 8.549 0.020 . 1 . . . . 57 ILE H . 18372 1 778 . 1 1 57 57 ILE HA H 1 4.968 0.020 . 1 . . . . 57 ILE HA . 18372 1 779 . 1 1 57 57 ILE HB H 1 1.709 0.020 . 1 . . . . 57 ILE HB . 18372 1 780 . 1 1 57 57 ILE HG12 H 1 1.470 0.020 . 2 . . . . 57 ILE HG12 . 18372 1 781 . 1 1 57 57 ILE HG13 H 1 0.830 0.020 . 2 . . . . 57 ILE HG13 . 18372 1 782 . 1 1 57 57 ILE HG21 H 1 0.810 0.020 . 1 . . . . 57 ILE HG21 . 18372 1 783 . 1 1 57 57 ILE HG22 H 1 0.810 0.020 . 1 . . . . 57 ILE HG22 . 18372 1 784 . 1 1 57 57 ILE HG23 H 1 0.810 0.020 . 1 . . . . 57 ILE HG23 . 18372 1 785 . 1 1 57 57 ILE HD11 H 1 0.705 0.020 . 1 . . . . 57 ILE HD11 . 18372 1 786 . 1 1 57 57 ILE HD12 H 1 0.705 0.020 . 1 . . . . 57 ILE HD12 . 18372 1 787 . 1 1 57 57 ILE HD13 H 1 0.705 0.020 . 1 . . . . 57 ILE HD13 . 18372 1 788 . 1 1 57 57 ILE C C 13 174.583 0.400 . 1 . . . . 57 ILE C . 18372 1 789 . 1 1 57 57 ILE CA C 13 59.441 0.400 . 1 . . . . 57 ILE CA . 18372 1 790 . 1 1 57 57 ILE CB C 13 39.718 0.400 . 1 . . . . 57 ILE CB . 18372 1 791 . 1 1 57 57 ILE CG1 C 13 27.805 0.400 . 1 . . . . 57 ILE CG1 . 18372 1 792 . 1 1 57 57 ILE CG2 C 13 17.575 0.400 . 1 . . . . 57 ILE CG2 . 18372 1 793 . 1 1 57 57 ILE CD1 C 13 14.667 0.400 . 1 . . . . 57 ILE CD1 . 18372 1 794 . 1 1 57 57 ILE N N 15 126.435 0.400 . 1 . . . . 57 ILE N . 18372 1 795 . 1 1 58 58 SER H H 1 8.652 0.020 . 1 . . . . 58 SER H . 18372 1 796 . 1 1 58 58 SER HA H 1 4.969 0.020 . 1 . . . . 58 SER HA . 18372 1 797 . 1 1 58 58 SER HB2 H 1 3.731 0.020 . 2 . . . . 58 SER HB2 . 18372 1 798 . 1 1 58 58 SER HB3 H 1 3.349 0.020 . 2 . . . . 58 SER HB3 . 18372 1 799 . 1 1 58 58 SER HG H 1 5.021 0.020 . 1 . . . . 58 SER HG . 18372 1 800 . 1 1 58 58 SER C C 13 174.560 0.400 . 1 . . . . 58 SER C . 18372 1 801 . 1 1 58 58 SER CA C 13 56.575 0.400 . 1 . . . . 58 SER CA . 18372 1 802 . 1 1 58 58 SER CB C 13 66.928 0.400 . 1 . . . . 58 SER CB . 18372 1 803 . 1 1 58 58 SER N N 15 118.732 0.400 . 1 . . . . 58 SER N . 18372 1 804 . 1 1 59 59 ASN H H 1 8.790 0.020 . 1 . . . . 59 ASN H . 18372 1 805 . 1 1 59 59 ASN HA H 1 4.782 0.020 . 1 . . . . 59 ASN HA . 18372 1 806 . 1 1 59 59 ASN HB2 H 1 3.044 0.020 . 2 . . . . 59 ASN HB2 . 18372 1 807 . 1 1 59 59 ASN HB3 H 1 2.835 0.020 . 2 . . . . 59 ASN HB3 . 18372 1 808 . 1 1 59 59 ASN HD21 H 1 7.459 0.020 . 2 . . . . 59 ASN HD21 . 18372 1 809 . 1 1 59 59 ASN HD22 H 1 6.691 0.020 . 2 . . . . 59 ASN HD22 . 18372 1 810 . 1 1 59 59 ASN C C 13 175.012 0.400 . 1 . . . . 59 ASN C . 18372 1 811 . 1 1 59 59 ASN CA C 13 52.447 0.400 . 1 . . . . 59 ASN CA . 18372 1 812 . 1 1 59 59 ASN CB C 13 39.001 0.400 . 1 . . . . 59 ASN CB . 18372 1 813 . 1 1 59 59 ASN N N 15 123.546 0.400 . 1 . . . . 59 ASN N . 18372 1 814 . 1 1 59 59 ASN ND2 N 15 109.033 0.400 . 1 . . . . 59 ASN ND2 . 18372 1 815 . 1 1 60 60 ASP H H 1 7.826 0.020 . 1 . . . . 60 ASP H . 18372 1 816 . 1 1 60 60 ASP HA H 1 4.856 0.020 . 1 . . . . 60 ASP HA . 18372 1 817 . 1 1 60 60 ASP HB2 H 1 2.727 0.020 . 2 . . . . 60 ASP HB2 . 18372 1 818 . 1 1 60 60 ASP HB3 H 1 2.536 0.020 . 2 . . . . 60 ASP HB3 . 18372 1 819 . 1 1 60 60 ASP C C 13 176.004 0.400 . 1 . . . . 60 ASP C . 18372 1 820 . 1 1 60 60 ASP CA C 13 53.128 0.400 . 1 . . . . 60 ASP CA . 18372 1 821 . 1 1 60 60 ASP CB C 13 42.847 0.400 . 1 . . . . 60 ASP CB . 18372 1 822 . 1 1 60 60 ASP N N 15 119.586 0.400 . 1 . . . . 60 ASP N . 18372 1 823 . 1 1 61 61 LYS H H 1 8.847 0.020 . 1 . . . . 61 LYS H . 18372 1 824 . 1 1 61 61 LYS HA H 1 3.701 0.020 . 1 . . . . 61 LYS HA . 18372 1 825 . 1 1 61 61 LYS HB2 H 1 1.503 0.020 . 2 . . . . 61 LYS HB2 . 18372 1 826 . 1 1 61 61 LYS HB3 H 1 1.432 0.020 . 2 . . . . 61 LYS HB3 . 18372 1 827 . 1 1 61 61 LYS HG2 H 1 1.269 0.020 . 2 . . . . 61 LYS HG2 . 18372 1 828 . 1 1 61 61 LYS HG3 H 1 0.891 0.020 . 2 . . . . 61 LYS HG3 . 18372 1 829 . 1 1 61 61 LYS HD2 H 1 1.025 0.020 . 1 . . . . 61 LYS HD2 . 18372 1 830 . 1 1 61 61 LYS HD3 H 1 1.025 0.020 . 1 . . . . 61 LYS HD3 . 18372 1 831 . 1 1 61 61 LYS HE2 H 1 2.513 0.020 . 2 . . . . 61 LYS HE2 . 18372 1 832 . 1 1 61 61 LYS HE3 H 1 2.611 0.020 . 2 . . . . 61 LYS HE3 . 18372 1 833 . 1 1 61 61 LYS C C 13 177.872 0.400 . 1 . . . . 61 LYS C . 18372 1 834 . 1 1 61 61 LYS CA C 13 59.452 0.400 . 1 . . . . 61 LYS CA . 18372 1 835 . 1 1 61 61 LYS CB C 13 31.933 0.400 . 1 . . . . 61 LYS CB . 18372 1 836 . 1 1 61 61 LYS CG C 13 25.171 0.400 . 1 . . . . 61 LYS CG . 18372 1 837 . 1 1 61 61 LYS CD C 13 28.780 0.400 . 1 . . . . 61 LYS CD . 18372 1 838 . 1 1 61 61 LYS CE C 13 41.404 0.400 . 1 . . . . 61 LYS CE . 18372 1 839 . 1 1 61 61 LYS N N 15 125.500 0.400 . 1 . . . . 61 LYS N . 18372 1 840 . 1 1 62 62 GLN H H 1 8.399 0.020 . 1 . . . . 62 GLN H . 18372 1 841 . 1 1 62 62 GLN HA H 1 4.119 0.020 . 1 . . . . 62 GLN HA . 18372 1 842 . 1 1 62 62 GLN HB2 H 1 2.181 0.020 . 1 . . . . 62 GLN HB2 . 18372 1 843 . 1 1 62 62 GLN HB3 H 1 2.181 0.020 . 1 . . . . 62 GLN HB3 . 18372 1 844 . 1 1 62 62 GLN HG2 H 1 2.443 0.020 . 2 . . . . 62 GLN HG2 . 18372 1 845 . 1 1 62 62 GLN HG3 H 1 2.412 0.020 . 2 . . . . 62 GLN HG3 . 18372 1 846 . 1 1 62 62 GLN HE21 H 1 7.856 0.020 . 2 . . . . 62 GLN HE21 . 18372 1 847 . 1 1 62 62 GLN HE22 H 1 6.881 0.020 . 2 . . . . 62 GLN HE22 . 18372 1 848 . 1 1 62 62 GLN C C 13 178.703 0.400 . 1 . . . . 62 GLN C . 18372 1 849 . 1 1 62 62 GLN CA C 13 58.065 0.400 . 1 . . . . 62 GLN CA . 18372 1 850 . 1 1 62 62 GLN CB C 13 27.427 0.400 . 1 . . . . 62 GLN CB . 18372 1 851 . 1 1 62 62 GLN CG C 13 33.720 0.400 . 1 . . . . 62 GLN CG . 18372 1 852 . 1 1 62 62 GLN N N 15 118.533 0.400 . 1 . . . . 62 GLN N . 18372 1 853 . 1 1 62 62 GLN NE2 N 15 112.702 0.400 . 1 . . . . 62 GLN NE2 . 18372 1 854 . 1 1 63 63 LEU H H 1 7.711 0.020 . 1 . . . . 63 LEU H . 18372 1 855 . 1 1 63 63 LEU HA H 1 4.148 0.020 . 1 . . . . 63 LEU HA . 18372 1 856 . 1 1 63 63 LEU HB2 H 1 1.817 0.020 . 2 . . . . 63 LEU HB2 . 18372 1 857 . 1 1 63 63 LEU HB3 H 1 1.425 0.020 . 2 . . . . 63 LEU HB3 . 18372 1 858 . 1 1 63 63 LEU HG H 1 1.609 0.020 . 1 . . . . 63 LEU HG . 18372 1 859 . 1 1 63 63 LEU HD11 H 1 0.717 0.020 . 2 . . . . 63 LEU HD11 . 18372 1 860 . 1 1 63 63 LEU HD12 H 1 0.717 0.020 . 2 . . . . 63 LEU HD12 . 18372 1 861 . 1 1 63 63 LEU HD13 H 1 0.717 0.020 . 2 . . . . 63 LEU HD13 . 18372 1 862 . 1 1 63 63 LEU HD21 H 1 0.696 0.020 . 2 . . . . 63 LEU HD21 . 18372 1 863 . 1 1 63 63 LEU HD22 H 1 0.696 0.020 . 2 . . . . 63 LEU HD22 . 18372 1 864 . 1 1 63 63 LEU HD23 H 1 0.696 0.020 . 2 . . . . 63 LEU HD23 . 18372 1 865 . 1 1 63 63 LEU C C 13 178.421 0.400 . 1 . . . . 63 LEU C . 18372 1 866 . 1 1 63 63 LEU CA C 13 56.402 0.400 . 1 . . . . 63 LEU CA . 18372 1 867 . 1 1 63 63 LEU CB C 13 41.187 0.400 . 1 . . . . 63 LEU CB . 18372 1 868 . 1 1 63 63 LEU CG C 13 26.529 0.400 . 1 . . . . 63 LEU CG . 18372 1 869 . 1 1 63 63 LEU CD1 C 13 25.212 0.400 . 1 . . . . 63 LEU CD1 . 18372 1 870 . 1 1 63 63 LEU CD2 C 13 22.932 0.400 . 1 . . . . 63 LEU CD2 . 18372 1 871 . 1 1 63 63 LEU N N 15 120.034 0.400 . 1 . . . . 63 LEU N . 18372 1 872 . 1 1 64 64 LEU H H 1 7.718 0.020 . 1 . . . . 64 LEU H . 18372 1 873 . 1 1 64 64 LEU HA H 1 3.855 0.020 . 1 . . . . 64 LEU HA . 18372 1 874 . 1 1 64 64 LEU HB2 H 1 1.789 0.020 . 2 . . . . 64 LEU HB2 . 18372 1 875 . 1 1 64 64 LEU HB3 H 1 1.581 0.020 . 2 . . . . 64 LEU HB3 . 18372 1 876 . 1 1 64 64 LEU HG H 1 1.655 0.020 . 1 . . . . 64 LEU HG . 18372 1 877 . 1 1 64 64 LEU HD11 H 1 0.814 0.020 . 2 . . . . 64 LEU HD11 . 18372 1 878 . 1 1 64 64 LEU HD12 H 1 0.814 0.020 . 2 . . . . 64 LEU HD12 . 18372 1 879 . 1 1 64 64 LEU HD13 H 1 0.814 0.020 . 2 . . . . 64 LEU HD13 . 18372 1 880 . 1 1 64 64 LEU HD21 H 1 0.777 0.020 . 2 . . . . 64 LEU HD21 . 18372 1 881 . 1 1 64 64 LEU HD22 H 1 0.777 0.020 . 2 . . . . 64 LEU HD22 . 18372 1 882 . 1 1 64 64 LEU HD23 H 1 0.777 0.020 . 2 . . . . 64 LEU HD23 . 18372 1 883 . 1 1 64 64 LEU C C 13 177.762 0.400 . 1 . . . . 64 LEU C . 18372 1 884 . 1 1 64 64 LEU CA C 13 58.182 0.400 . 1 . . . . 64 LEU CA . 18372 1 885 . 1 1 64 64 LEU CB C 13 41.465 0.400 . 1 . . . . 64 LEU CB . 18372 1 886 . 1 1 64 64 LEU CG C 13 26.770 0.400 . 1 . . . . 64 LEU CG . 18372 1 887 . 1 1 64 64 LEU CD1 C 13 25.145 0.400 . 1 . . . . 64 LEU CD1 . 18372 1 888 . 1 1 64 64 LEU CD2 C 13 24.627 0.400 . 1 . . . . 64 LEU CD2 . 18372 1 889 . 1 1 64 64 LEU N N 15 117.712 0.400 . 1 . . . . 64 LEU N . 18372 1 890 . 1 1 65 65 LYS H H 1 8.040 0.020 . 1 . . . . 65 LYS H . 18372 1 891 . 1 1 65 65 LYS HA H 1 3.768 0.020 . 1 . . . . 65 LYS HA . 18372 1 892 . 1 1 65 65 LYS HB2 H 1 1.982 0.020 . 2 . . . . 65 LYS HB2 . 18372 1 893 . 1 1 65 65 LYS HB3 H 1 1.931 0.020 . 2 . . . . 65 LYS HB3 . 18372 1 894 . 1 1 65 65 LYS HG2 H 1 1.568 0.020 . 2 . . . . 65 LYS HG2 . 18372 1 895 . 1 1 65 65 LYS HG3 H 1 1.386 0.020 . 2 . . . . 65 LYS HG3 . 18372 1 896 . 1 1 65 65 LYS HD2 H 1 1.674 0.020 . 2 . . . . 65 LYS HD2 . 18372 1 897 . 1 1 65 65 LYS HD3 H 1 1.672 0.020 . 2 . . . . 65 LYS HD3 . 18372 1 898 . 1 1 65 65 LYS HE2 H 1 2.935 0.020 . 1 . . . . 65 LYS HE2 . 18372 1 899 . 1 1 65 65 LYS HE3 H 1 2.936 0.020 . 1 . . . . 65 LYS HE3 . 18372 1 900 . 1 1 65 65 LYS C C 13 178.691 0.400 . 1 . . . . 65 LYS C . 18372 1 901 . 1 1 65 65 LYS CA C 13 60.491 0.400 . 1 . . . . 65 LYS CA . 18372 1 902 . 1 1 65 65 LYS CB C 13 32.072 0.400 . 1 . . . . 65 LYS CB . 18372 1 903 . 1 1 65 65 LYS CG C 13 24.910 0.400 . 1 . . . . 65 LYS CG . 18372 1 904 . 1 1 65 65 LYS CD C 13 29.497 0.400 . 1 . . . . 65 LYS CD . 18372 1 905 . 1 1 65 65 LYS CE C 13 41.780 0.400 . 1 . . . . 65 LYS CE . 18372 1 906 . 1 1 65 65 LYS N N 15 118.392 0.400 . 1 . . . . 65 LYS N . 18372 1 907 . 1 1 66 66 GLU H H 1 7.836 0.020 . 1 . . . . 66 GLU H . 18372 1 908 . 1 1 66 66 GLU HA H 1 4.063 0.020 . 1 . . . . 66 GLU HA . 18372 1 909 . 1 1 66 66 GLU HB2 H 1 2.031 0.020 . 2 . . . . 66 GLU HB2 . 18372 1 910 . 1 1 66 66 GLU HB3 H 1 2.093 0.020 . 2 . . . . 66 GLU HB3 . 18372 1 911 . 1 1 66 66 GLU HG2 H 1 2.369 0.020 . 2 . . . . 66 GLU HG2 . 18372 1 912 . 1 1 66 66 GLU HG3 H 1 2.187 0.020 . 2 . . . . 66 GLU HG3 . 18372 1 913 . 1 1 66 66 GLU C C 13 178.945 0.400 . 1 . . . . 66 GLU C . 18372 1 914 . 1 1 66 66 GLU CA C 13 58.966 0.400 . 1 . . . . 66 GLU CA . 18372 1 915 . 1 1 66 66 GLU CB C 13 29.299 0.400 . 1 . . . . 66 GLU CB . 18372 1 916 . 1 1 66 66 GLU CG C 13 36.010 0.400 . 1 . . . . 66 GLU CG . 18372 1 917 . 1 1 66 66 GLU N N 15 119.362 0.400 . 1 . . . . 66 GLU N . 18372 1 918 . 1 1 67 67 MET H H 1 8.373 0.020 . 1 . . . . 67 MET H . 18372 1 919 . 1 1 67 67 MET HA H 1 3.956 0.020 . 1 . . . . 67 MET HA . 18372 1 920 . 1 1 67 67 MET HB2 H 1 2.188 0.020 . 2 . . . . 67 MET HB2 . 18372 1 921 . 1 1 67 67 MET HB3 H 1 1.978 0.020 . 2 . . . . 67 MET HB3 . 18372 1 922 . 1 1 67 67 MET HG2 H 1 2.603 0.020 . 2 . . . . 67 MET HG2 . 18372 1 923 . 1 1 67 67 MET HG3 H 1 2.390 0.020 . 2 . . . . 67 MET HG3 . 18372 1 924 . 1 1 67 67 MET HE1 H 1 1.873 0.020 . 1 . . . . 67 MET HE1 . 18372 1 925 . 1 1 67 67 MET HE2 H 1 1.873 0.020 . 1 . . . . 67 MET HE2 . 18372 1 926 . 1 1 67 67 MET HE3 H 1 1.873 0.020 . 1 . . . . 67 MET HE3 . 18372 1 927 . 1 1 67 67 MET C C 13 177.493 0.400 . 1 . . . . 67 MET C . 18372 1 928 . 1 1 67 67 MET CA C 13 59.902 0.400 . 1 . . . . 67 MET CA . 18372 1 929 . 1 1 67 67 MET CB C 13 33.533 0.400 . 1 . . . . 67 MET CB . 18372 1 930 . 1 1 67 67 MET CG C 13 32.175 0.400 . 1 . . . . 67 MET CG . 18372 1 931 . 1 1 67 67 MET CE C 13 16.759 0.400 . 1 . . . . 67 MET CE . 18372 1 932 . 1 1 67 67 MET N N 15 118.165 0.400 . 1 . . . . 67 MET N . 18372 1 933 . 1 1 68 68 LEU H H 1 8.519 0.020 . 1 . . . . 68 LEU H . 18372 1 934 . 1 1 68 68 LEU HA H 1 3.705 0.020 . 1 . . . . 68 LEU HA . 18372 1 935 . 1 1 68 68 LEU HB2 H 1 1.648 0.020 . 2 . . . . 68 LEU HB2 . 18372 1 936 . 1 1 68 68 LEU HB3 H 1 1.151 0.020 . 2 . . . . 68 LEU HB3 . 18372 1 937 . 1 1 68 68 LEU HG H 1 1.508 0.020 . 1 . . . . 68 LEU HG . 18372 1 938 . 1 1 68 68 LEU HD11 H 1 0.443 0.020 . 2 . . . . 68 LEU HD11 . 18372 1 939 . 1 1 68 68 LEU HD12 H 1 0.443 0.020 . 2 . . . . 68 LEU HD12 . 18372 1 940 . 1 1 68 68 LEU HD13 H 1 0.443 0.020 . 2 . . . . 68 LEU HD13 . 18372 1 941 . 1 1 68 68 LEU HD21 H 1 0.374 0.020 . 2 . . . . 68 LEU HD21 . 18372 1 942 . 1 1 68 68 LEU HD22 H 1 0.374 0.020 . 2 . . . . 68 LEU HD22 . 18372 1 943 . 1 1 68 68 LEU HD23 H 1 0.374 0.020 . 2 . . . . 68 LEU HD23 . 18372 1 944 . 1 1 68 68 LEU C C 13 178.700 0.400 . 1 . . . . 68 LEU C . 18372 1 945 . 1 1 68 68 LEU CA C 13 58.147 0.400 . 1 . . . . 68 LEU CA . 18372 1 946 . 1 1 68 68 LEU CB C 13 40.841 0.400 . 1 . . . . 68 LEU CB . 18372 1 947 . 1 1 68 68 LEU CG C 13 26.278 0.400 . 1 . . . . 68 LEU CG . 18372 1 948 . 1 1 68 68 LEU CD1 C 13 25.266 0.400 . 1 . . . . 68 LEU CD1 . 18372 1 949 . 1 1 68 68 LEU CD2 C 13 23.412 0.400 . 1 . . . . 68 LEU CD2 . 18372 1 950 . 1 1 68 68 LEU N N 15 118.788 0.400 . 1 . . . . 68 LEU N . 18372 1 951 . 1 1 69 69 GLU H H 1 7.546 0.020 . 1 . . . . 69 GLU H . 18372 1 952 . 1 1 69 69 GLU HA H 1 4.059 0.020 . 1 . . . . 69 GLU HA . 18372 1 953 . 1 1 69 69 GLU HB2 H 1 2.201 0.020 . 2 . . . . 69 GLU HB2 . 18372 1 954 . 1 1 69 69 GLU HB3 H 1 2.089 0.020 . 2 . . . . 69 GLU HB3 . 18372 1 955 . 1 1 69 69 GLU HG2 H 1 2.259 0.020 . 2 . . . . 69 GLU HG2 . 18372 1 956 . 1 1 69 69 GLU HG3 H 1 2.449 0.020 . 2 . . . . 69 GLU HG3 . 18372 1 957 . 1 1 69 69 GLU C C 13 178.904 0.400 . 1 . . . . 69 GLU C . 18372 1 958 . 1 1 69 69 GLU CA C 13 59.414 0.400 . 1 . . . . 69 GLU CA . 18372 1 959 . 1 1 69 69 GLU CB C 13 29.160 0.400 . 1 . . . . 69 GLU CB . 18372 1 960 . 1 1 69 69 GLU CG C 13 36.010 0.400 . 1 . . . . 69 GLU CG . 18372 1 961 . 1 1 69 69 GLU N N 15 118.602 0.400 . 1 . . . . 69 GLU N . 18372 1 962 . 1 1 70 70 LEU H H 1 7.819 0.020 . 1 . . . . 70 LEU H . 18372 1 963 . 1 1 70 70 LEU HA H 1 4.106 0.020 . 1 . . . . 70 LEU HA . 18372 1 964 . 1 1 70 70 LEU HB2 H 1 1.944 0.020 . 2 . . . . 70 LEU HB2 . 18372 1 965 . 1 1 70 70 LEU HB3 H 1 1.550 0.020 . 2 . . . . 70 LEU HB3 . 18372 1 966 . 1 1 70 70 LEU HG H 1 1.872 0.020 . 1 . . . . 70 LEU HG . 18372 1 967 . 1 1 70 70 LEU HD11 H 1 0.906 0.020 . 2 . . . . 70 LEU HD11 . 18372 1 968 . 1 1 70 70 LEU HD12 H 1 0.906 0.020 . 2 . . . . 70 LEU HD12 . 18372 1 969 . 1 1 70 70 LEU HD13 H 1 0.906 0.020 . 2 . . . . 70 LEU HD13 . 18372 1 970 . 1 1 70 70 LEU HD21 H 1 0.894 0.020 . 2 . . . . 70 LEU HD21 . 18372 1 971 . 1 1 70 70 LEU HD22 H 1 0.894 0.020 . 2 . . . . 70 LEU HD22 . 18372 1 972 . 1 1 70 70 LEU HD23 H 1 0.894 0.020 . 2 . . . . 70 LEU HD23 . 18372 1 973 . 1 1 70 70 LEU C C 13 179.735 0.400 . 1 . . . . 70 LEU C . 18372 1 974 . 1 1 70 70 LEU CA C 13 57.795 0.400 . 1 . . . . 70 LEU CA . 18372 1 975 . 1 1 70 70 LEU CB C 13 41.784 0.400 . 1 . . . . 70 LEU CB . 18372 1 976 . 1 1 70 70 LEU CG C 13 26.770 0.400 . 1 . . . . 70 LEU CG . 18372 1 977 . 1 1 70 70 LEU CD1 C 13 25.472 0.400 . 1 . . . . 70 LEU CD1 . 18372 1 978 . 1 1 70 70 LEU CD2 C 13 23.073 0.400 . 1 . . . . 70 LEU CD2 . 18372 1 979 . 1 1 70 70 LEU N N 15 119.687 0.400 . 1 . . . . 70 LEU N . 18372 1 980 . 1 1 71 71 ILE H H 1 8.864 0.020 . 1 . . . . 71 ILE H . 18372 1 981 . 1 1 71 71 ILE HA H 1 3.554 0.020 . 1 . . . . 71 ILE HA . 18372 1 982 . 1 1 71 71 ILE HB H 1 1.817 0.020 . 1 . . . . 71 ILE HB . 18372 1 983 . 1 1 71 71 ILE HG12 H 1 1.874 0.020 . 2 . . . . 71 ILE HG12 . 18372 1 984 . 1 1 71 71 ILE HG13 H 1 0.774 0.020 . 2 . . . . 71 ILE HG13 . 18372 1 985 . 1 1 71 71 ILE HG21 H 1 0.818 0.020 . 1 . . . . 71 ILE HG21 . 18372 1 986 . 1 1 71 71 ILE HG22 H 1 0.818 0.020 . 1 . . . . 71 ILE HG22 . 18372 1 987 . 1 1 71 71 ILE HG23 H 1 0.818 0.020 . 1 . . . . 71 ILE HG23 . 18372 1 988 . 1 1 71 71 ILE HD11 H 1 0.645 0.020 . 1 . . . . 71 ILE HD11 . 18372 1 989 . 1 1 71 71 ILE HD12 H 1 0.645 0.020 . 1 . . . . 71 ILE HD12 . 18372 1 990 . 1 1 71 71 ILE HD13 H 1 0.645 0.020 . 1 . . . . 71 ILE HD13 . 18372 1 991 . 1 1 71 71 ILE C C 13 178.473 0.400 . 1 . . . . 71 ILE C . 18372 1 992 . 1 1 71 71 ILE CA C 13 65.444 0.400 . 1 . . . . 71 ILE CA . 18372 1 993 . 1 1 71 71 ILE CB C 13 38.199 0.400 . 1 . . . . 71 ILE CB . 18372 1 994 . 1 1 71 71 ILE CG1 C 13 29.833 0.400 . 1 . . . . 71 ILE CG1 . 18372 1 995 . 1 1 71 71 ILE CG2 C 13 19.276 0.400 . 1 . . . . 71 ILE CG2 . 18372 1 996 . 1 1 71 71 ILE CD1 C 13 14.912 0.400 . 1 . . . . 71 ILE CD1 . 18372 1 997 . 1 1 71 71 ILE N N 15 118.845 0.400 . 1 . . . . 71 ILE N . 18372 1 998 . 1 1 72 72 SER H H 1 8.161 0.020 . 1 . . . . 72 SER H . 18372 1 999 . 1 1 72 72 SER HA H 1 4.469 0.020 . 1 . . . . 72 SER HA . 18372 1 1000 . 1 1 72 72 SER HB2 H 1 4.155 0.020 . 2 . . . . 72 SER HB2 . 18372 1 1001 . 1 1 72 72 SER HB3 H 1 4.153 0.020 . 2 . . . . 72 SER HB3 . 18372 1 1002 . 1 1 72 72 SER C C 13 177.857 0.400 . 1 . . . . 72 SER C . 18372 1 1003 . 1 1 72 72 SER CA C 13 61.917 0.400 . 1 . . . . 72 SER CA . 18372 1 1004 . 1 1 72 72 SER CB C 13 62.720 0.400 . 1 . . . . 72 SER CB . 18372 1 1005 . 1 1 72 72 SER N N 15 115.616 0.400 . 1 . . . . 72 SER N . 18372 1 1006 . 1 1 73 73 LYS H H 1 7.736 0.020 . 1 . . . . 73 LYS H . 18372 1 1007 . 1 1 73 73 LYS HA H 1 4.205 0.020 . 1 . . . . 73 LYS HA . 18372 1 1008 . 1 1 73 73 LYS HB2 H 1 1.994 0.020 . 1 . . . . 73 LYS HB2 . 18372 1 1009 . 1 1 73 73 LYS HB3 H 1 1.994 0.020 . 1 . . . . 73 LYS HB3 . 18372 1 1010 . 1 1 73 73 LYS HG2 H 1 1.679 0.020 . 2 . . . . 73 LYS HG2 . 18372 1 1011 . 1 1 73 73 LYS HG3 H 1 1.530 0.020 . 2 . . . . 73 LYS HG3 . 18372 1 1012 . 1 1 73 73 LYS HD2 H 1 1.700 0.020 . 1 . . . . 73 LYS HD2 . 18372 1 1013 . 1 1 73 73 LYS HD3 H 1 1.700 0.020 . 1 . . . . 73 LYS HD3 . 18372 1 1014 . 1 1 73 73 LYS HE2 H 1 2.978 0.020 . 1 . . . . 73 LYS HE2 . 18372 1 1015 . 1 1 73 73 LYS HE3 H 1 2.977 0.020 . 1 . . . . 73 LYS HE3 . 18372 1 1016 . 1 1 73 73 LYS C C 13 178.194 0.400 . 1 . . . . 73 LYS C . 18372 1 1017 . 1 1 73 73 LYS CA C 13 58.308 0.400 . 1 . . . . 73 LYS CA . 18372 1 1018 . 1 1 73 73 LYS CB C 13 32.036 0.400 . 1 . . . . 73 LYS CB . 18372 1 1019 . 1 1 73 73 LYS CG C 13 24.910 0.400 . 1 . . . . 73 LYS CG . 18372 1 1020 . 1 1 73 73 LYS CD C 13 28.780 0.400 . 1 . . . . 73 LYS CD . 18372 1 1021 . 1 1 73 73 LYS CE C 13 41.780 0.400 . 1 . . . . 73 LYS CE . 18372 1 1022 . 1 1 73 73 LYS N N 15 122.130 0.400 . 1 . . . . 73 LYS N . 18372 1 1023 . 1 1 74 74 LEU H H 1 7.601 0.020 . 1 . . . . 74 LEU H . 18372 1 1024 . 1 1 74 74 LEU HA H 1 4.252 0.020 . 1 . . . . 74 LEU HA . 18372 1 1025 . 1 1 74 74 LEU HB2 H 1 1.784 0.020 . 2 . . . . 74 LEU HB2 . 18372 1 1026 . 1 1 74 74 LEU HB3 H 1 1.335 0.020 . 2 . . . . 74 LEU HB3 . 18372 1 1027 . 1 1 74 74 LEU HG H 1 1.825 0.020 . 1 . . . . 74 LEU HG . 18372 1 1028 . 1 1 74 74 LEU HD11 H 1 0.834 0.020 . 2 . . . . 74 LEU HD11 . 18372 1 1029 . 1 1 74 74 LEU HD12 H 1 0.834 0.020 . 2 . . . . 74 LEU HD12 . 18372 1 1030 . 1 1 74 74 LEU HD13 H 1 0.834 0.020 . 2 . . . . 74 LEU HD13 . 18372 1 1031 . 1 1 74 74 LEU HD21 H 1 0.880 0.020 . 2 . . . . 74 LEU HD21 . 18372 1 1032 . 1 1 74 74 LEU HD22 H 1 0.880 0.020 . 2 . . . . 74 LEU HD22 . 18372 1 1033 . 1 1 74 74 LEU HD23 H 1 0.880 0.020 . 2 . . . . 74 LEU HD23 . 18372 1 1034 . 1 1 74 74 LEU C C 13 177.238 0.400 . 1 . . . . 74 LEU C . 18372 1 1035 . 1 1 74 74 LEU CA C 13 55.154 0.400 . 1 . . . . 74 LEU CA . 18372 1 1036 . 1 1 74 74 LEU CB C 13 42.088 0.400 . 1 . . . . 74 LEU CB . 18372 1 1037 . 1 1 74 74 LEU CG C 13 26.267 0.400 . 1 . . . . 74 LEU CG . 18372 1 1038 . 1 1 74 74 LEU CD1 C 13 26.170 0.400 . 1 . . . . 74 LEU CD1 . 18372 1 1039 . 1 1 74 74 LEU CD2 C 13 22.055 0.400 . 1 . . . . 74 LEU CD2 . 18372 1 1040 . 1 1 74 74 LEU N N 15 117.995 0.400 . 1 . . . . 74 LEU N . 18372 1 1041 . 1 1 75 75 GLY H H 1 7.855 0.020 . 1 . . . . 75 GLY H . 18372 1 1042 . 1 1 75 75 GLY HA2 H 1 3.801 0.020 . 2 . . . . 75 GLY HA2 . 18372 1 1043 . 1 1 75 75 GLY HA3 H 1 4.088 0.020 . 2 . . . . 75 GLY HA3 . 18372 1 1044 . 1 1 75 75 GLY C C 13 174.435 0.400 . 1 . . . . 75 GLY C . 18372 1 1045 . 1 1 75 75 GLY CA C 13 45.338 0.400 . 1 . . . . 75 GLY CA . 18372 1 1046 . 1 1 75 75 GLY N N 15 105.421 0.400 . 1 . . . . 75 GLY N . 18372 1 1047 . 1 1 76 76 TYR H H 1 7.027 0.020 . 1 . . . . 76 TYR H . 18372 1 1048 . 1 1 76 76 TYR HA H 1 4.755 0.020 . 1 . . . . 76 TYR HA . 18372 1 1049 . 1 1 76 76 TYR HB2 H 1 2.658 0.020 . 2 . . . . 76 TYR HB2 . 18372 1 1050 . 1 1 76 76 TYR HB3 H 1 2.840 0.020 . 2 . . . . 76 TYR HB3 . 18372 1 1051 . 1 1 76 76 TYR HD1 H 1 6.899 0.020 . 1 . . . . 76 TYR HD1 . 18372 1 1052 . 1 1 76 76 TYR HD2 H 1 6.899 0.020 . 1 . . . . 76 TYR HD2 . 18372 1 1053 . 1 1 76 76 TYR HE1 H 1 6.746 0.020 . 1 . . . . 76 TYR HE1 . 18372 1 1054 . 1 1 76 76 TYR HE2 H 1 6.746 0.020 . 1 . . . . 76 TYR HE2 . 18372 1 1055 . 1 1 76 76 TYR C C 13 175.185 0.400 . 1 . . . . 76 TYR C . 18372 1 1056 . 1 1 76 76 TYR CA C 13 56.390 0.400 . 1 . . . . 76 TYR CA . 18372 1 1057 . 1 1 76 76 TYR CB C 13 38.575 0.400 . 1 . . . . 76 TYR CB . 18372 1 1058 . 1 1 76 76 TYR CD1 C 13 132.084 0.400 . 1 . . . . 76 TYR CD1 . 18372 1 1059 . 1 1 76 76 TYR CD2 C 13 132.332 0.400 . 1 . . . . 76 TYR CD2 . 18372 1 1060 . 1 1 76 76 TYR CE1 C 13 118.290 0.400 . 1 . . . . 76 TYR CE1 . 18372 1 1061 . 1 1 76 76 TYR CE2 C 13 118.240 0.400 . 1 . . . . 76 TYR CE2 . 18372 1 1062 . 1 1 76 76 TYR N N 15 117.898 0.400 . 1 . . . . 76 TYR N . 18372 1 1063 . 1 1 77 77 LYS H H 1 8.489 0.020 . 1 . . . . 77 LYS H . 18372 1 1064 . 1 1 77 77 LYS HA H 1 4.569 0.020 . 1 . . . . 77 LYS HA . 18372 1 1065 . 1 1 77 77 LYS HB2 H 1 1.886 0.020 . 2 . . . . 77 LYS HB2 . 18372 1 1066 . 1 1 77 77 LYS HB3 H 1 1.888 0.020 . 2 . . . . 77 LYS HB3 . 18372 1 1067 . 1 1 77 77 LYS HG2 H 1 1.454 0.020 . 2 . . . . 77 LYS HG2 . 18372 1 1068 . 1 1 77 77 LYS HG3 H 1 1.394 0.020 . 2 . . . . 77 LYS HG3 . 18372 1 1069 . 1 1 77 77 LYS HD2 H 1 1.696 0.020 . 1 . . . . 77 LYS HD2 . 18372 1 1070 . 1 1 77 77 LYS HD3 H 1 1.695 0.020 . 1 . . . . 77 LYS HD3 . 18372 1 1071 . 1 1 77 77 LYS HE2 H 1 2.890 0.020 . 1 . . . . 77 LYS HE2 . 18372 1 1072 . 1 1 77 77 LYS HE3 H 1 2.889 0.020 . 1 . . . . 77 LYS HE3 . 18372 1 1073 . 1 1 77 77 LYS C C 13 174.943 0.400 . 1 . . . . 77 LYS C . 18372 1 1074 . 1 1 77 77 LYS CA C 13 55.775 0.400 . 1 . . . . 77 LYS CA . 18372 1 1075 . 1 1 77 77 LYS CB C 13 33.111 0.400 . 1 . . . . 77 LYS CB . 18372 1 1076 . 1 1 77 77 LYS CG C 13 24.901 0.400 . 1 . . . . 77 LYS CG . 18372 1 1077 . 1 1 77 77 LYS CD C 13 29.004 0.400 . 1 . . . . 77 LYS CD . 18372 1 1078 . 1 1 77 77 LYS CE C 13 41.931 0.400 . 1 . . . . 77 LYS CE . 18372 1 1079 . 1 1 77 77 LYS N N 15 123.263 0.400 . 1 . . . . 77 LYS N . 18372 1 1080 . 1 1 78 78 VAL H H 1 8.232 0.020 . 1 . . . . 78 VAL H . 18372 1 1081 . 1 1 78 78 VAL HA H 1 5.054 0.020 . 1 . . . . 78 VAL HA . 18372 1 1082 . 1 1 78 78 VAL HB H 1 1.795 0.020 . 1 . . . . 78 VAL HB . 18372 1 1083 . 1 1 78 78 VAL HG11 H 1 0.744 0.020 . 2 . . . . 78 VAL HG11 . 18372 1 1084 . 1 1 78 78 VAL HG12 H 1 0.744 0.020 . 2 . . . . 78 VAL HG12 . 18372 1 1085 . 1 1 78 78 VAL HG13 H 1 0.744 0.020 . 2 . . . . 78 VAL HG13 . 18372 1 1086 . 1 1 78 78 VAL HG21 H 1 0.770 0.020 . 2 . . . . 78 VAL HG21 . 18372 1 1087 . 1 1 78 78 VAL HG22 H 1 0.770 0.020 . 2 . . . . 78 VAL HG22 . 18372 1 1088 . 1 1 78 78 VAL HG23 H 1 0.770 0.020 . 2 . . . . 78 VAL HG23 . 18372 1 1089 . 1 1 78 78 VAL C C 13 173.857 0.400 . 1 . . . . 78 VAL C . 18372 1 1090 . 1 1 78 78 VAL CA C 13 60.462 0.400 . 1 . . . . 78 VAL CA . 18372 1 1091 . 1 1 78 78 VAL CB C 13 34.418 0.400 . 1 . . . . 78 VAL CB . 18372 1 1092 . 1 1 78 78 VAL CG1 C 13 20.914 0.400 . 1 . . . . 78 VAL CG1 . 18372 1 1093 . 1 1 78 78 VAL CG2 C 13 22.309 0.400 . 1 . . . . 78 VAL CG2 . 18372 1 1094 . 1 1 78 78 VAL N N 15 123.433 0.400 . 1 . . . . 78 VAL N . 18372 1 1095 . 1 1 79 79 PHE H H 1 8.179 0.020 . 1 . . . . 79 PHE H . 18372 1 1096 . 1 1 79 79 PHE HA H 1 4.781 0.020 . 1 . . . . 79 PHE HA . 18372 1 1097 . 1 1 79 79 PHE HB2 H 1 2.663 0.020 . 2 . . . . 79 PHE HB2 . 18372 1 1098 . 1 1 79 79 PHE HB3 H 1 2.145 0.020 . 2 . . . . 79 PHE HB3 . 18372 1 1099 . 1 1 79 79 PHE HD1 H 1 6.923 0.020 . 1 . . . . 79 PHE HD1 . 18372 1 1100 . 1 1 79 79 PHE HD2 H 1 6.923 0.020 . 1 . . . . 79 PHE HD2 . 18372 1 1101 . 1 1 79 79 PHE HE1 H 1 7.112 0.020 . 1 . . . . 79 PHE HE1 . 18372 1 1102 . 1 1 79 79 PHE HE2 H 1 7.112 0.020 . 1 . . . . 79 PHE HE2 . 18372 1 1103 . 1 1 79 79 PHE HZ H 1 7.059 0.020 . 1 . . . . 79 PHE HZ . 18372 1 1104 . 1 1 79 79 PHE C C 13 172.543 0.400 . 1 . . . . 79 PHE C . 18372 1 1105 . 1 1 79 79 PHE CA C 13 56.298 0.400 . 1 . . . . 79 PHE CA . 18372 1 1106 . 1 1 79 79 PHE CB C 13 40.455 0.400 . 1 . . . . 79 PHE CB . 18372 1 1107 . 1 1 79 79 PHE CD1 C 13 131.806 0.400 . 1 . . . . 79 PHE CD1 . 18372 1 1108 . 1 1 79 79 PHE CD2 C 13 132.206 0.400 . 1 . . . . 79 PHE CD2 . 18372 1 1109 . 1 1 79 79 PHE CE1 C 13 130.651 0.400 . 1 . . . . 79 PHE CE1 . 18372 1 1110 . 1 1 79 79 PHE CE2 C 13 130.651 0.400 . 1 . . . . 79 PHE CE2 . 18372 1 1111 . 1 1 79 79 PHE CZ C 13 128.985 0.400 . 1 . . . . 79 PHE CZ . 18372 1 1112 . 1 1 79 79 PHE N N 15 126.265 0.400 . 1 . . . . 79 PHE N . 18372 1 1113 . 1 1 80 80 LEU H H 1 8.490 0.020 . 1 . . . . 80 LEU H . 18372 1 1114 . 1 1 80 80 LEU HA H 1 5.342 0.020 . 1 . . . . 80 LEU HA . 18372 1 1115 . 1 1 80 80 LEU HB2 H 1 1.808 0.020 . 2 . . . . 80 LEU HB2 . 18372 1 1116 . 1 1 80 80 LEU HB3 H 1 1.222 0.020 . 2 . . . . 80 LEU HB3 . 18372 1 1117 . 1 1 80 80 LEU HG H 1 1.408 0.020 . 1 . . . . 80 LEU HG . 18372 1 1118 . 1 1 80 80 LEU HD11 H 1 0.790 0.020 . 2 . . . . 80 LEU HD11 . 18372 1 1119 . 1 1 80 80 LEU HD12 H 1 0.790 0.020 . 2 . . . . 80 LEU HD12 . 18372 1 1120 . 1 1 80 80 LEU HD13 H 1 0.790 0.020 . 2 . . . . 80 LEU HD13 . 18372 1 1121 . 1 1 80 80 LEU HD21 H 1 0.788 0.020 . 2 . . . . 80 LEU HD21 . 18372 1 1122 . 1 1 80 80 LEU HD22 H 1 0.788 0.020 . 2 . . . . 80 LEU HD22 . 18372 1 1123 . 1 1 80 80 LEU HD23 H 1 0.788 0.020 . 2 . . . . 80 LEU HD23 . 18372 1 1124 . 1 1 80 80 LEU C C 13 173.280 0.400 . 1 . . . . 80 LEU C . 18372 1 1125 . 1 1 80 80 LEU CA C 13 53.733 0.400 . 1 . . . . 80 LEU CA . 18372 1 1126 . 1 1 80 80 LEU CB C 13 45.415 0.400 . 1 . . . . 80 LEU CB . 18372 1 1127 . 1 1 80 80 LEU CG C 13 28.308 0.400 . 1 . . . . 80 LEU CG . 18372 1 1128 . 1 1 80 80 LEU CD1 C 13 25.134 0.400 . 1 . . . . 80 LEU CD1 . 18372 1 1129 . 1 1 80 80 LEU CD2 C 13 27.504 0.400 . 1 . . . . 80 LEU CD2 . 18372 1 1130 . 1 1 80 80 LEU N N 15 125.132 0.400 . 1 . . . . 80 LEU N . 18372 1 1131 . 1 1 81 81 LEU H H 1 9.060 0.020 . 1 . . . . 81 LEU H . 18372 1 1132 . 1 1 81 81 LEU HA H 1 5.181 0.020 . 1 . . . . 81 LEU HA . 18372 1 1133 . 1 1 81 81 LEU HB2 H 1 1.757 0.020 . 2 . . . . 81 LEU HB2 . 18372 1 1134 . 1 1 81 81 LEU HB3 H 1 1.262 0.020 . 2 . . . . 81 LEU HB3 . 18372 1 1135 . 1 1 81 81 LEU HG H 1 1.369 0.020 . 1 . . . . 81 LEU HG . 18372 1 1136 . 1 1 81 81 LEU HD11 H 1 0.816 0.020 . 2 . . . . 81 LEU HD11 . 18372 1 1137 . 1 1 81 81 LEU HD12 H 1 0.816 0.020 . 2 . . . . 81 LEU HD12 . 18372 1 1138 . 1 1 81 81 LEU HD13 H 1 0.816 0.020 . 2 . . . . 81 LEU HD13 . 18372 1 1139 . 1 1 81 81 LEU HD21 H 1 0.718 0.020 . 2 . . . . 81 LEU HD21 . 18372 1 1140 . 1 1 81 81 LEU HD22 H 1 0.718 0.020 . 2 . . . . 81 LEU HD22 . 18372 1 1141 . 1 1 81 81 LEU HD23 H 1 0.718 0.020 . 2 . . . . 81 LEU HD23 . 18372 1 1142 . 1 1 81 81 LEU C C 13 173.777 0.400 . 1 . . . . 81 LEU C . 18372 1 1143 . 1 1 81 81 LEU CA C 13 53.317 0.400 . 1 . . . . 81 LEU CA . 18372 1 1144 . 1 1 81 81 LEU CB C 13 45.103 0.400 . 1 . . . . 81 LEU CB . 18372 1 1145 . 1 1 81 81 LEU CG C 13 27.686 0.400 . 1 . . . . 81 LEU CG . 18372 1 1146 . 1 1 81 81 LEU CD1 C 13 25.071 0.400 . 1 . . . . 81 LEU CD1 . 18372 1 1147 . 1 1 81 81 LEU CD2 C 13 25.548 0.400 . 1 . . . . 81 LEU CD2 . 18372 1 1148 . 1 1 81 81 LEU N N 15 127.454 0.400 . 1 . . . . 81 LEU N . 18372 1 1149 . 1 1 82 82 LEU H H 1 8.757 0.020 . 1 . . . . 82 LEU H . 18372 1 1150 . 1 1 82 82 LEU HA H 1 4.973 0.020 . 1 . . . . 82 LEU HA . 18372 1 1151 . 1 1 82 82 LEU HB2 H 1 1.637 0.020 . 1 . . . . 82 LEU HB2 . 18372 1 1152 . 1 1 82 82 LEU HB3 H 1 1.637 0.020 . 1 . . . . 82 LEU HB3 . 18372 1 1153 . 1 1 82 82 LEU HG H 1 1.563 0.020 . 1 . . . . 82 LEU HG . 18372 1 1154 . 1 1 82 82 LEU HD11 H 1 0.792 0.020 . 2 . . . . 82 LEU HD11 . 18372 1 1155 . 1 1 82 82 LEU HD12 H 1 0.792 0.020 . 2 . . . . 82 LEU HD12 . 18372 1 1156 . 1 1 82 82 LEU HD13 H 1 0.792 0.020 . 2 . . . . 82 LEU HD13 . 18372 1 1157 . 1 1 82 82 LEU HD21 H 1 0.889 0.020 . 2 . . . . 82 LEU HD21 . 18372 1 1158 . 1 1 82 82 LEU HD22 H 1 0.889 0.020 . 2 . . . . 82 LEU HD22 . 18372 1 1159 . 1 1 82 82 LEU HD23 H 1 0.889 0.020 . 2 . . . . 82 LEU HD23 . 18372 1 1160 . 1 1 82 82 LEU C C 13 174.490 0.400 . 1 . . . . 82 LEU C . 18372 1 1161 . 1 1 82 82 LEU CA C 13 53.075 0.400 . 1 . . . . 82 LEU CA . 18372 1 1162 . 1 1 82 82 LEU CB C 13 44.861 0.400 . 1 . . . . 82 LEU CB . 18372 1 1163 . 1 1 82 82 LEU CG C 13 26.760 0.400 . 1 . . . . 82 LEU CG . 18372 1 1164 . 1 1 82 82 LEU CD1 C 13 26.239 0.400 . 1 . . . . 82 LEU CD1 . 18372 1 1165 . 1 1 82 82 LEU CD2 C 13 24.080 0.400 . 1 . . . . 82 LEU CD2 . 18372 1 1166 . 1 1 82 82 LEU N N 15 124.226 0.400 . 1 . . . . 82 LEU N . 18372 1 1167 . 1 1 83 83 GLN H H 1 8.345 0.020 . 1 . . . . 83 GLN H . 18372 1 1168 . 1 1 83 83 GLN HA H 1 5.187 0.020 . 1 . . . . 83 GLN HA . 18372 1 1169 . 1 1 83 83 GLN HB2 H 1 2.148 0.020 . 2 . . . . 83 GLN HB2 . 18372 1 1170 . 1 1 83 83 GLN HB3 H 1 1.420 0.020 . 2 . . . . 83 GLN HB3 . 18372 1 1171 . 1 1 83 83 GLN HG2 H 1 2.336 0.020 . 2 . . . . 83 GLN HG2 . 18372 1 1172 . 1 1 83 83 GLN HG3 H 1 2.117 0.020 . 2 . . . . 83 GLN HG3 . 18372 1 1173 . 1 1 83 83 GLN HE21 H 1 7.154 0.020 . 2 . . . . 83 GLN HE21 . 18372 1 1174 . 1 1 83 83 GLN HE22 H 1 7.156 0.020 . 2 . . . . 83 GLN HE22 . 18372 1 1175 . 1 1 83 83 GLN C C 13 174.341 0.400 . 1 . . . . 83 GLN C . 18372 1 1176 . 1 1 83 83 GLN CA C 13 54.877 0.400 . 1 . . . . 83 GLN CA . 18372 1 1177 . 1 1 83 83 GLN CB C 13 30.444 0.400 . 1 . . . . 83 GLN CB . 18372 1 1178 . 1 1 83 83 GLN CG C 13 33.641 0.400 . 1 . . . . 83 GLN CG . 18372 1 1179 . 1 1 83 83 GLN N N 15 121.692 0.400 . 1 . . . . 83 GLN N . 18372 1 1180 . 1 1 83 83 GLN NE2 N 15 110.271 0.400 . 1 . . . . 83 GLN NE2 . 18372 1 1181 . 1 1 84 84 ASP H H 1 8.217 0.020 . 1 . . . . 84 ASP H . 18372 1 1182 . 1 1 84 84 ASP HA H 1 4.488 0.020 . 1 . . . . 84 ASP HA . 18372 1 1183 . 1 1 84 84 ASP HB2 H 1 2.571 0.020 . 2 . . . . 84 ASP HB2 . 18372 1 1184 . 1 1 84 84 ASP HB3 H 1 2.653 0.020 . 2 . . . . 84 ASP HB3 . 18372 1 1185 . 1 1 84 84 ASP C C 13 174.341 0.400 . 1 . . . . 84 ASP C . 18372 1 1186 . 1 1 84 84 ASP CA C 13 54.080 0.400 . 1 . . . . 84 ASP CA . 18372 1 1187 . 1 1 84 84 ASP CB C 13 44.202 0.400 . 1 . . . . 84 ASP CB . 18372 1 1188 . 1 1 84 84 ASP N N 15 124.906 0.400 . 1 . . . . 84 ASP N . 18372 1 1189 . 1 1 85 85 GLN H H 1 8.599 0.020 . 1 . . . . 85 GLN H . 18372 1 1190 . 1 1 85 85 GLN HA H 1 4.335 0.020 . 1 . . . . 85 GLN HA . 18372 1 1191 . 1 1 85 85 GLN HB2 H 1 2.173 0.020 . 2 . . . . 85 GLN HB2 . 18372 1 1192 . 1 1 85 85 GLN HB3 H 1 2.076 0.020 . 2 . . . . 85 GLN HB3 . 18372 1 1193 . 1 1 85 85 GLN HG2 H 1 2.430 0.020 . 1 . . . . 85 GLN HG2 . 18372 1 1194 . 1 1 85 85 GLN HG3 H 1 2.430 0.020 . 1 . . . . 85 GLN HG3 . 18372 1 1195 . 1 1 85 85 GLN HE21 H 1 7.638 0.020 . 2 . . . . 85 GLN HE21 . 18372 1 1196 . 1 1 85 85 GLN HE22 H 1 6.903 0.020 . 2 . . . . 85 GLN HE22 . 18372 1 1197 . 1 1 85 85 GLN C C 13 175.655 0.400 . 1 . . . . 85 GLN C . 18372 1 1198 . 1 1 85 85 GLN CA C 13 56.610 0.400 . 1 . . . . 85 GLN CA . 18372 1 1199 . 1 1 85 85 GLN CB C 13 29.403 0.400 . 1 . . . . 85 GLN CB . 18372 1 1200 . 1 1 85 85 GLN CG C 13 33.890 0.400 . 1 . . . . 85 GLN CG . 18372 1 1201 . 1 1 85 85 GLN N N 15 120.884 0.400 . 1 . . . . 85 GLN N . 18372 1 1202 . 1 1 85 85 GLN NE2 N 15 112.150 0.400 . 1 . . . . 85 GLN NE2 . 18372 1 1203 . 1 1 86 86 ASP H H 1 8.748 0.020 . 1 . . . . 86 ASP H . 18372 1 1204 . 1 1 86 86 ASP HA H 1 4.701 0.020 . 1 . . . . 86 ASP HA . 18372 1 1205 . 1 1 86 86 ASP HB2 H 1 2.957 0.020 . 2 . . . . 86 ASP HB2 . 18372 1 1206 . 1 1 86 86 ASP HB3 H 1 2.527 0.020 . 2 . . . . 86 ASP HB3 . 18372 1 1207 . 1 1 86 86 ASP C C 13 175.629 0.400 . 1 . . . . 86 ASP C . 18372 1 1208 . 1 1 86 86 ASP CA C 13 53.396 0.400 . 1 . . . . 86 ASP CA . 18372 1 1209 . 1 1 86 86 ASP CB C 13 41.003 0.400 . 1 . . . . 86 ASP CB . 18372 1 1210 . 1 1 86 86 ASP N N 15 120.658 0.400 . 1 . . . . 86 ASP N . 18372 1 1211 . 1 1 87 87 GLU H H 1 8.616 0.020 . 1 . . . . 87 GLU H . 18372 1 1212 . 1 1 87 87 GLU HA H 1 4.016 0.020 . 1 . . . . 87 GLU HA . 18372 1 1213 . 1 1 87 87 GLU HB2 H 1 2.081 0.020 . 2 . . . . 87 GLU HB2 . 18372 1 1214 . 1 1 87 87 GLU HB3 H 1 2.040 0.020 . 2 . . . . 87 GLU HB3 . 18372 1 1215 . 1 1 87 87 GLU HG2 H 1 2.300 0.020 . 1 . . . . 87 GLU HG2 . 18372 1 1216 . 1 1 87 87 GLU HG3 H 1 2.300 0.020 . 1 . . . . 87 GLU HG3 . 18372 1 1217 . 1 1 87 87 GLU C C 13 177.854 0.400 . 1 . . . . 87 GLU C . 18372 1 1218 . 1 1 87 87 GLU CA C 13 58.847 0.400 . 1 . . . . 87 GLU CA . 18372 1 1219 . 1 1 87 87 GLU CB C 13 29.646 0.400 . 1 . . . . 87 GLU CB . 18372 1 1220 . 1 1 87 87 GLU CG C 13 36.239 0.400 . 1 . . . . 87 GLU CG . 18372 1 1221 . 1 1 87 87 GLU N N 15 124.056 0.400 . 1 . . . . 87 GLU N . 18372 1 1222 . 1 1 88 88 ASN H H 1 8.477 0.020 . 1 . . . . 88 ASN H . 18372 1 1223 . 1 1 88 88 ASN HA H 1 4.560 0.020 . 1 . . . . 88 ASN HA . 18372 1 1224 . 1 1 88 88 ASN HB2 H 1 2.850 0.020 . 2 . . . . 88 ASN HB2 . 18372 1 1225 . 1 1 88 88 ASN HB3 H 1 2.920 0.020 . 2 . . . . 88 ASN HB3 . 18372 1 1226 . 1 1 88 88 ASN HD21 H 1 7.910 0.020 . 2 . . . . 88 ASN HD21 . 18372 1 1227 . 1 1 88 88 ASN HD22 H 1 7.033 0.020 . 2 . . . . 88 ASN HD22 . 18372 1 1228 . 1 1 88 88 ASN C C 13 177.187 0.400 . 1 . . . . 88 ASN C . 18372 1 1229 . 1 1 88 88 ASN CA C 13 55.917 0.400 . 1 . . . . 88 ASN CA . 18372 1 1230 . 1 1 88 88 ASN CB C 13 38.380 0.400 . 1 . . . . 88 ASN CB . 18372 1 1231 . 1 1 88 88 ASN N N 15 118.640 0.400 . 1 . . . . 88 ASN N . 18372 1 1232 . 1 1 88 88 ASN ND2 N 15 114.415 0.400 . 1 . . . . 88 ASN ND2 . 18372 1 1233 . 1 1 89 89 GLU H H 1 8.153 0.020 . 1 . . . . 89 GLU H . 18372 1 1234 . 1 1 89 89 GLU HA H 1 4.101 0.020 . 1 . . . . 89 GLU HA . 18372 1 1235 . 1 1 89 89 GLU HB2 H 1 1.993 0.020 . 2 . . . . 89 GLU HB2 . 18372 1 1236 . 1 1 89 89 GLU HB3 H 1 1.998 0.020 . 2 . . . . 89 GLU HB3 . 18372 1 1237 . 1 1 89 89 GLU HG2 H 1 2.271 0.020 . 1 . . . . 89 GLU HG2 . 18372 1 1238 . 1 1 89 89 GLU HG3 H 1 2.271 0.020 . 1 . . . . 89 GLU HG3 . 18372 1 1239 . 1 1 89 89 GLU C C 13 178.449 0.400 . 1 . . . . 89 GLU C . 18372 1 1240 . 1 1 89 89 GLU CA C 13 58.529 0.400 . 1 . . . . 89 GLU CA . 18372 1 1241 . 1 1 89 89 GLU CB C 13 29.117 0.400 . 1 . . . . 89 GLU CB . 18372 1 1242 . 1 1 89 89 GLU CG C 13 36.010 0.400 . 1 . . . . 89 GLU CG . 18372 1 1243 . 1 1 89 89 GLU N N 15 121.337 0.400 . 1 . . . . 89 GLU N . 18372 1 1244 . 1 1 90 90 LEU H H 1 8.073 0.020 . 1 . . . . 90 LEU H . 18372 1 1245 . 1 1 90 90 LEU HA H 1 4.195 0.020 . 1 . . . . 90 LEU HA . 18372 1 1246 . 1 1 90 90 LEU HB2 H 1 1.776 0.020 . 2 . . . . 90 LEU HB2 . 18372 1 1247 . 1 1 90 90 LEU HB3 H 1 1.744 0.020 . 2 . . . . 90 LEU HB3 . 18372 1 1248 . 1 1 90 90 LEU HG H 1 1.625 0.020 . 1 . . . . 90 LEU HG . 18372 1 1249 . 1 1 90 90 LEU HD11 H 1 0.894 0.020 . 1 . . . . 90 LEU HD11 . 18372 1 1250 . 1 1 90 90 LEU HD12 H 1 0.894 0.020 . 1 . . . . 90 LEU HD12 . 18372 1 1251 . 1 1 90 90 LEU HD13 H 1 0.894 0.020 . 1 . . . . 90 LEU HD13 . 18372 1 1252 . 1 1 90 90 LEU HD21 H 1 0.895 0.020 . 1 . . . . 90 LEU HD21 . 18372 1 1253 . 1 1 90 90 LEU HD22 H 1 0.895 0.020 . 1 . . . . 90 LEU HD22 . 18372 1 1254 . 1 1 90 90 LEU HD23 H 1 0.895 0.020 . 1 . . . . 90 LEU HD23 . 18372 1 1255 . 1 1 90 90 LEU C C 13 177.976 0.400 . 1 . . . . 90 LEU C . 18372 1 1256 . 1 1 90 90 LEU CA C 13 57.447 0.400 . 1 . . . . 90 LEU CA . 18372 1 1257 . 1 1 90 90 LEU CB C 13 42.426 0.400 . 1 . . . . 90 LEU CB . 18372 1 1258 . 1 1 90 90 LEU CG C 13 26.770 0.400 . 1 . . . . 90 LEU CG . 18372 1 1259 . 1 1 90 90 LEU CD1 C 13 25.071 0.400 . 1 . . . . 90 LEU CD1 . 18372 1 1260 . 1 1 90 90 LEU CD2 C 13 25.002 0.400 . 1 . . . . 90 LEU CD2 . 18372 1 1261 . 1 1 90 90 LEU N N 15 119.721 0.400 . 1 . . . . 90 LEU N . 18372 1 1262 . 1 1 91 91 GLU H H 1 7.924 0.020 . 1 . . . . 91 GLU H . 18372 1 1263 . 1 1 91 91 GLU HA H 1 4.064 0.020 . 1 . . . . 91 GLU HA . 18372 1 1264 . 1 1 91 91 GLU HB2 H 1 2.125 0.020 . 2 . . . . 91 GLU HB2 . 18372 1 1265 . 1 1 91 91 GLU HB3 H 1 2.069 0.020 . 2 . . . . 91 GLU HB3 . 18372 1 1266 . 1 1 91 91 GLU HG2 H 1 2.417 0.020 . 2 . . . . 91 GLU HG2 . 18372 1 1267 . 1 1 91 91 GLU HG3 H 1 2.287 0.020 . 2 . . . . 91 GLU HG3 . 18372 1 1268 . 1 1 91 91 GLU C C 13 178.313 0.400 . 1 . . . . 91 GLU C . 18372 1 1269 . 1 1 91 91 GLU CA C 13 59.021 0.400 . 1 . . . . 91 GLU CA . 18372 1 1270 . 1 1 91 91 GLU CB C 13 28.803 0.400 . 1 . . . . 91 GLU CB . 18372 1 1271 . 1 1 91 91 GLU CG C 13 35.054 0.400 . 1 . . . . 91 GLU CG . 18372 1 1272 . 1 1 91 91 GLU N N 15 118.806 0.400 . 1 . . . . 91 GLU N . 18372 1 1273 . 1 1 92 92 GLU H H 1 8.016 0.020 . 1 . . . . 92 GLU H . 18372 1 1274 . 1 1 92 92 GLU HA H 1 4.058 0.020 . 1 . . . . 92 GLU HA . 18372 1 1275 . 1 1 92 92 GLU HB2 H 1 2.053 0.020 . 2 . . . . 92 GLU HB2 . 18372 1 1276 . 1 1 92 92 GLU HB3 H 1 2.107 0.020 . 2 . . . . 92 GLU HB3 . 18372 1 1277 . 1 1 92 92 GLU HG2 H 1 2.316 0.020 . 2 . . . . 92 GLU HG2 . 18372 1 1278 . 1 1 92 92 GLU HG3 H 1 2.265 0.020 . 2 . . . . 92 GLU HG3 . 18372 1 1279 . 1 1 92 92 GLU C C 13 178.551 0.400 . 1 . . . . 92 GLU C . 18372 1 1280 . 1 1 92 92 GLU CA C 13 59.175 0.400 . 1 . . . . 92 GLU CA . 18372 1 1281 . 1 1 92 92 GLU CB C 13 29.044 0.400 . 1 . . . . 92 GLU CB . 18372 1 1282 . 1 1 92 92 GLU CG C 13 36.010 0.400 . 1 . . . . 92 GLU CG . 18372 1 1283 . 1 1 92 92 GLU N N 15 118.732 0.400 . 1 . . . . 92 GLU N . 18372 1 1284 . 1 1 93 93 PHE H H 1 8.154 0.020 . 1 . . . . 93 PHE H . 18372 1 1285 . 1 1 93 93 PHE HA H 1 4.358 0.020 . 1 . . . . 93 PHE HA . 18372 1 1286 . 1 1 93 93 PHE HB2 H 1 3.311 0.020 . 2 . . . . 93 PHE HB2 . 18372 1 1287 . 1 1 93 93 PHE HB3 H 1 3.023 0.020 . 2 . . . . 93 PHE HB3 . 18372 1 1288 . 1 1 93 93 PHE HD1 H 1 7.230 0.020 . 1 . . . . 93 PHE HD1 . 18372 1 1289 . 1 1 93 93 PHE HD2 H 1 7.230 0.020 . 1 . . . . 93 PHE HD2 . 18372 1 1290 . 1 1 93 93 PHE HE1 H 1 7.144 0.020 . 1 . . . . 93 PHE HE1 . 18372 1 1291 . 1 1 93 93 PHE HE2 H 1 7.144 0.020 . 1 . . . . 93 PHE HE2 . 18372 1 1292 . 1 1 93 93 PHE HZ H 1 7.083 0.020 . 1 . . . . 93 PHE HZ . 18372 1 1293 . 1 1 93 93 PHE C C 13 176.824 0.400 . 1 . . . . 93 PHE C . 18372 1 1294 . 1 1 93 93 PHE CA C 13 60.391 0.400 . 1 . . . . 93 PHE CA . 18372 1 1295 . 1 1 93 93 PHE CB C 13 39.076 0.400 . 1 . . . . 93 PHE CB . 18372 1 1296 . 1 1 93 93 PHE CD1 C 13 131.382 0.400 . 1 . . . . 93 PHE CD1 . 18372 1 1297 . 1 1 93 93 PHE CD2 C 13 131.641 0.400 . 1 . . . . 93 PHE CD2 . 18372 1 1298 . 1 1 93 93 PHE CE1 C 13 131.129 0.400 . 1 . . . . 93 PHE CE1 . 18372 1 1299 . 1 1 93 93 PHE CE2 C 13 130.600 0.400 . 1 . . . . 93 PHE CE2 . 18372 1 1300 . 1 1 93 93 PHE CZ C 13 129.169 0.400 . 1 . . . . 93 PHE CZ . 18372 1 1301 . 1 1 93 93 PHE N N 15 120.544 0.400 . 1 . . . . 93 PHE N . 18372 1 1302 . 1 1 94 94 LYS H H 1 8.658 0.020 . 1 . . . . 94 LYS H . 18372 1 1303 . 1 1 94 94 LYS HA H 1 3.580 0.020 . 1 . . . . 94 LYS HA . 18372 1 1304 . 1 1 94 94 LYS HB2 H 1 2.084 0.020 . 2 . . . . 94 LYS HB2 . 18372 1 1305 . 1 1 94 94 LYS HB3 H 1 1.685 0.020 . 2 . . . . 94 LYS HB3 . 18372 1 1306 . 1 1 94 94 LYS HG2 H 1 1.222 0.020 . 2 . . . . 94 LYS HG2 . 18372 1 1307 . 1 1 94 94 LYS HG3 H 1 1.356 0.020 . 2 . . . . 94 LYS HG3 . 18372 1 1308 . 1 1 94 94 LYS HD2 H 1 1.477 0.020 . 2 . . . . 94 LYS HD2 . 18372 1 1309 . 1 1 94 94 LYS HD3 H 1 1.664 0.020 . 2 . . . . 94 LYS HD3 . 18372 1 1310 . 1 1 94 94 LYS HE2 H 1 3.047 0.020 . 2 . . . . 94 LYS HE2 . 18372 1 1311 . 1 1 94 94 LYS HE3 H 1 2.893 0.020 . 2 . . . . 94 LYS HE3 . 18372 1 1312 . 1 1 94 94 LYS C C 13 177.520 0.400 . 1 . . . . 94 LYS C . 18372 1 1313 . 1 1 94 94 LYS CA C 13 60.021 0.400 . 1 . . . . 94 LYS CA . 18372 1 1314 . 1 1 94 94 LYS CB C 13 32.800 0.400 . 1 . . . . 94 LYS CB . 18372 1 1315 . 1 1 94 94 LYS CG C 13 24.715 0.400 . 1 . . . . 94 LYS CG . 18372 1 1316 . 1 1 94 94 LYS CD C 13 30.269 0.400 . 1 . . . . 94 LYS CD . 18372 1 1317 . 1 1 94 94 LYS CE C 13 41.780 0.400 . 1 . . . . 94 LYS CE . 18372 1 1318 . 1 1 94 94 LYS N N 15 119.015 0.400 . 1 . . . . 94 LYS N . 18372 1 1319 . 1 1 95 95 ARG H H 1 8.170 0.020 . 1 . . . . 95 ARG H . 18372 1 1320 . 1 1 95 95 ARG HA H 1 4.156 0.020 . 1 . . . . 95 ARG HA . 18372 1 1321 . 1 1 95 95 ARG HB2 H 1 1.899 0.020 . 2 . . . . 95 ARG HB2 . 18372 1 1322 . 1 1 95 95 ARG HB3 H 1 1.967 0.020 . 2 . . . . 95 ARG HB3 . 18372 1 1323 . 1 1 95 95 ARG HG2 H 1 1.884 0.020 . 2 . . . . 95 ARG HG2 . 18372 1 1324 . 1 1 95 95 ARG HG3 H 1 1.675 0.020 . 2 . . . . 95 ARG HG3 . 18372 1 1325 . 1 1 95 95 ARG HD2 H 1 3.238 0.020 . 2 . . . . 95 ARG HD2 . 18372 1 1326 . 1 1 95 95 ARG HD3 H 1 3.211 0.020 . 2 . . . . 95 ARG HD3 . 18372 1 1327 . 1 1 95 95 ARG C C 13 178.608 0.400 . 1 . . . . 95 ARG C . 18372 1 1328 . 1 1 95 95 ARG CA C 13 59.198 0.400 . 1 . . . . 95 ARG CA . 18372 1 1329 . 1 1 95 95 ARG CB C 13 29.992 0.400 . 1 . . . . 95 ARG CB . 18372 1 1330 . 1 1 95 95 ARG CG C 13 27.580 0.400 . 1 . . . . 95 ARG CG . 18372 1 1331 . 1 1 95 95 ARG CD C 13 43.413 0.400 . 1 . . . . 95 ARG CD . 18372 1 1332 . 1 1 95 95 ARG N N 15 117.120 0.400 . 1 . . . . 95 ARG N . 18372 1 1333 . 1 1 96 96 LYS H H 1 7.804 0.020 . 1 . . . . 96 LYS H . 18372 1 1334 . 1 1 96 96 LYS HA H 1 4.051 0.020 . 1 . . . . 96 LYS HA . 18372 1 1335 . 1 1 96 96 LYS HB2 H 1 1.901 0.020 . 2 . . . . 96 LYS HB2 . 18372 1 1336 . 1 1 96 96 LYS HB3 H 1 1.971 0.020 . 2 . . . . 96 LYS HB3 . 18372 1 1337 . 1 1 96 96 LYS HG2 H 1 1.440 0.020 . 2 . . . . 96 LYS HG2 . 18372 1 1338 . 1 1 96 96 LYS HG3 H 1 1.570 0.020 . 2 . . . . 96 LYS HG3 . 18372 1 1339 . 1 1 96 96 LYS HD2 H 1 1.680 0.020 . 2 . . . . 96 LYS HD2 . 18372 1 1340 . 1 1 96 96 LYS HD3 H 1 1.682 0.020 . 2 . . . . 96 LYS HD3 . 18372 1 1341 . 1 1 96 96 LYS HE2 H 1 2.930 0.020 . 1 . . . . 96 LYS HE2 . 18372 1 1342 . 1 1 96 96 LYS HE3 H 1 2.930 0.020 . 1 . . . . 96 LYS HE3 . 18372 1 1343 . 1 1 96 96 LYS C C 13 179.158 0.400 . 1 . . . . 96 LYS C . 18372 1 1344 . 1 1 96 96 LYS CA C 13 58.828 0.400 . 1 . . . . 96 LYS CA . 18372 1 1345 . 1 1 96 96 LYS CB C 13 32.000 0.400 . 1 . . . . 96 LYS CB . 18372 1 1346 . 1 1 96 96 LYS CG C 13 24.910 0.400 . 1 . . . . 96 LYS CG . 18372 1 1347 . 1 1 96 96 LYS CD C 13 28.889 0.400 . 1 . . . . 96 LYS CD . 18372 1 1348 . 1 1 96 96 LYS CE C 13 41.780 0.400 . 1 . . . . 96 LYS CE . 18372 1 1349 . 1 1 96 96 LYS N N 15 119.906 0.400 . 1 . . . . 96 LYS N . 18372 1 1350 . 1 1 97 97 ILE H H 1 7.891 0.020 . 1 . . . . 97 ILE H . 18372 1 1351 . 1 1 97 97 ILE HA H 1 3.889 0.020 . 1 . . . . 97 ILE HA . 18372 1 1352 . 1 1 97 97 ILE HB H 1 1.781 0.020 . 1 . . . . 97 ILE HB . 18372 1 1353 . 1 1 97 97 ILE HG12 H 1 0.893 0.020 . 2 . . . . 97 ILE HG12 . 18372 1 1354 . 1 1 97 97 ILE HG13 H 1 0.862 0.020 . 2 . . . . 97 ILE HG13 . 18372 1 1355 . 1 1 97 97 ILE HG21 H 1 0.660 0.020 . 1 . . . . 97 ILE HG21 . 18372 1 1356 . 1 1 97 97 ILE HG22 H 1 0.660 0.020 . 1 . . . . 97 ILE HG22 . 18372 1 1357 . 1 1 97 97 ILE HG23 H 1 0.660 0.020 . 1 . . . . 97 ILE HG23 . 18372 1 1358 . 1 1 97 97 ILE HD11 H 1 0.332 0.020 . 1 . . . . 97 ILE HD11 . 18372 1 1359 . 1 1 97 97 ILE HD12 H 1 0.332 0.020 . 1 . . . . 97 ILE HD12 . 18372 1 1360 . 1 1 97 97 ILE HD13 H 1 0.332 0.020 . 1 . . . . 97 ILE HD13 . 18372 1 1361 . 1 1 97 97 ILE C C 13 178.663 0.400 . 1 . . . . 97 ILE C . 18372 1 1362 . 1 1 97 97 ILE CA C 13 62.487 0.400 . 1 . . . . 97 ILE CA . 18372 1 1363 . 1 1 97 97 ILE CB C 13 36.889 0.400 . 1 . . . . 97 ILE CB . 18372 1 1364 . 1 1 97 97 ILE CG1 C 13 27.265 0.400 . 1 . . . . 97 ILE CG1 . 18372 1 1365 . 1 1 97 97 ILE CG2 C 13 19.021 0.400 . 1 . . . . 97 ILE CG2 . 18372 1 1366 . 1 1 97 97 ILE CD1 C 13 10.847 0.400 . 1 . . . . 97 ILE CD1 . 18372 1 1367 . 1 1 97 97 ILE N N 15 119.411 0.400 . 1 . . . . 97 ILE N . 18372 1 1368 . 1 1 98 98 GLU H H 1 8.781 0.020 . 1 . . . . 98 GLU H . 18372 1 1369 . 1 1 98 98 GLU HA H 1 4.420 0.020 . 1 . . . . 98 GLU HA . 18372 1 1370 . 1 1 98 98 GLU HB2 H 1 2.201 0.020 . 2 . . . . 98 GLU HB2 . 18372 1 1371 . 1 1 98 98 GLU HB3 H 1 2.028 0.020 . 2 . . . . 98 GLU HB3 . 18372 1 1372 . 1 1 98 98 GLU HG2 H 1 2.393 0.020 . 2 . . . . 98 GLU HG2 . 18372 1 1373 . 1 1 98 98 GLU HG3 H 1 2.460 0.020 . 2 . . . . 98 GLU HG3 . 18372 1 1374 . 1 1 98 98 GLU C C 13 180.552 0.400 . 1 . . . . 98 GLU C . 18372 1 1375 . 1 1 98 98 GLU CA C 13 59.141 0.400 . 1 . . . . 98 GLU CA . 18372 1 1376 . 1 1 98 98 GLU CB C 13 29.374 0.400 . 1 . . . . 98 GLU CB . 18372 1 1377 . 1 1 98 98 GLU CG C 13 36.957 0.400 . 1 . . . . 98 GLU CG . 18372 1 1378 . 1 1 98 98 GLU N N 15 121.677 0.400 . 1 . . . . 98 GLU N . 18372 1 1379 . 1 1 99 99 SER H H 1 8.095 0.020 . 1 . . . . 99 SER H . 18372 1 1380 . 1 1 99 99 SER HA H 1 4.348 0.020 . 1 . . . . 99 SER HA . 18372 1 1381 . 1 1 99 99 SER HB2 H 1 4.038 0.020 . 2 . . . . 99 SER HB2 . 18372 1 1382 . 1 1 99 99 SER HB3 H 1 4.036 0.020 . 2 . . . . 99 SER HB3 . 18372 1 1383 . 1 1 99 99 SER C C 13 174.915 0.400 . 1 . . . . 99 SER C . 18372 1 1384 . 1 1 99 99 SER CA C 13 60.526 0.400 . 1 . . . . 99 SER CA . 18372 1 1385 . 1 1 99 99 SER CB C 13 62.901 0.400 . 1 . . . . 99 SER CB . 18372 1 1386 . 1 1 99 99 SER N N 15 115.617 0.400 . 1 . . . . 99 SER N . 18372 1 1387 . 1 1 100 100 GLN H H 1 7.581 0.020 . 1 . . . . 100 GLN H . 18372 1 1388 . 1 1 100 100 GLN HA H 1 4.333 0.020 . 1 . . . . 100 GLN HA . 18372 1 1389 . 1 1 100 100 GLN HB2 H 1 2.321 0.020 . 2 . . . . 100 GLN HB2 . 18372 1 1390 . 1 1 100 100 GLN HB3 H 1 2.150 0.020 . 2 . . . . 100 GLN HB3 . 18372 1 1391 . 1 1 100 100 GLN HG2 H 1 2.481 0.020 . 2 . . . . 100 GLN HG2 . 18372 1 1392 . 1 1 100 100 GLN HG3 H 1 2.395 0.020 . 2 . . . . 100 GLN HG3 . 18372 1 1393 . 1 1 100 100 GLN HE21 H 1 7.307 0.020 . 2 . . . . 100 GLN HE21 . 18372 1 1394 . 1 1 100 100 GLN HE22 H 1 6.774 0.020 . 2 . . . . 100 GLN HE22 . 18372 1 1395 . 1 1 100 100 GLN C C 13 175.709 0.400 . 1 . . . . 100 GLN C . 18372 1 1396 . 1 1 100 100 GLN CA C 13 55.654 0.400 . 1 . . . . 100 GLN CA . 18372 1 1397 . 1 1 100 100 GLN CB C 13 29.515 0.400 . 1 . . . . 100 GLN CB . 18372 1 1398 . 1 1 100 100 GLN CG C 13 34.179 0.400 . 1 . . . . 100 GLN CG . 18372 1 1399 . 1 1 100 100 GLN N N 15 119.355 0.400 . 1 . . . . 100 GLN N . 18372 1 1400 . 1 1 100 100 GLN NE2 N 15 110.410 0.400 . 1 . . . . 100 GLN NE2 . 18372 1 1401 . 1 1 101 101 GLY H H 1 7.921 0.020 . 1 . . . . 101 GLY H . 18372 1 1402 . 1 1 101 101 GLY HA2 H 1 3.691 0.020 . 2 . . . . 101 GLY HA2 . 18372 1 1403 . 1 1 101 101 GLY HA3 H 1 4.009 0.020 . 2 . . . . 101 GLY HA3 . 18372 1 1404 . 1 1 101 101 GLY C C 13 173.670 0.400 . 1 . . . . 101 GLY C . 18372 1 1405 . 1 1 101 101 GLY CA C 13 45.212 0.400 . 1 . . . . 101 GLY CA . 18372 1 1406 . 1 1 101 101 GLY N N 15 105.627 0.400 . 1 . . . . 101 GLY N . 18372 1 1407 . 1 1 102 102 TYR H H 1 6.868 0.020 . 1 . . . . 102 TYR H . 18372 1 1408 . 1 1 102 102 TYR HA H 1 4.710 0.020 . 1 . . . . 102 TYR HA . 18372 1 1409 . 1 1 102 102 TYR HB2 H 1 2.472 0.020 . 2 . . . . 102 TYR HB2 . 18372 1 1410 . 1 1 102 102 TYR HB3 H 1 2.842 0.020 . 2 . . . . 102 TYR HB3 . 18372 1 1411 . 1 1 102 102 TYR HD1 H 1 7.057 0.020 . 1 . . . . 102 TYR HD1 . 18372 1 1412 . 1 1 102 102 TYR HD2 H 1 7.057 0.020 . 1 . . . . 102 TYR HD2 . 18372 1 1413 . 1 1 102 102 TYR HE1 H 1 6.725 0.020 . 1 . . . . 102 TYR HE1 . 18372 1 1414 . 1 1 102 102 TYR HE2 H 1 6.725 0.020 . 1 . . . . 102 TYR HE2 . 18372 1 1415 . 1 1 102 102 TYR C C 13 174.661 0.400 . 1 . . . . 102 TYR C . 18372 1 1416 . 1 1 102 102 TYR CA C 13 56.677 0.400 . 1 . . . . 102 TYR CA . 18372 1 1417 . 1 1 102 102 TYR CB C 13 39.176 0.400 . 1 . . . . 102 TYR CB . 18372 1 1418 . 1 1 102 102 TYR CD1 C 13 132.808 0.400 . 1 . . . . 102 TYR CD1 . 18372 1 1419 . 1 1 102 102 TYR CD2 C 13 132.808 0.400 . 1 . . . . 102 TYR CD2 . 18372 1 1420 . 1 1 102 102 TYR CE1 C 13 118.203 0.400 . 1 . . . . 102 TYR CE1 . 18372 1 1421 . 1 1 102 102 TYR CE2 C 13 118.264 0.400 . 1 . . . . 102 TYR CE2 . 18372 1 1422 . 1 1 102 102 TYR N N 15 118.222 0.400 . 1 . . . . 102 TYR N . 18372 1 1423 . 1 1 103 103 GLU H H 1 8.676 0.020 . 1 . . . . 103 GLU H . 18372 1 1424 . 1 1 103 103 GLU HA H 1 4.491 0.020 . 1 . . . . 103 GLU HA . 18372 1 1425 . 1 1 103 103 GLU HB2 H 1 2.108 0.020 . 2 . . . . 103 GLU HB2 . 18372 1 1426 . 1 1 103 103 GLU HB3 H 1 2.016 0.020 . 2 . . . . 103 GLU HB3 . 18372 1 1427 . 1 1 103 103 GLU HG2 H 1 2.183 0.020 . 2 . . . . 103 GLU HG2 . 18372 1 1428 . 1 1 103 103 GLU HG3 H 1 2.323 0.020 . 2 . . . . 103 GLU HG3 . 18372 1 1429 . 1 1 103 103 GLU C C 13 174.518 0.400 . 1 . . . . 103 GLU C . 18372 1 1430 . 1 1 103 103 GLU CA C 13 56.368 0.400 . 1 . . . . 103 GLU CA . 18372 1 1431 . 1 1 103 103 GLU CB C 13 30.325 0.400 . 1 . . . . 103 GLU CB . 18372 1 1432 . 1 1 103 103 GLU CG C 13 36.249 0.400 . 1 . . . . 103 GLU CG . 18372 1 1433 . 1 1 103 103 GLU N N 15 123.093 0.400 . 1 . . . . 103 GLU N . 18372 1 1434 . 1 1 104 104 VAL H H 1 8.716 0.020 . 1 . . . . 104 VAL H . 18372 1 1435 . 1 1 104 104 VAL HA H 1 5.069 0.020 . 1 . . . . 104 VAL HA . 18372 1 1436 . 1 1 104 104 VAL HB H 1 1.946 0.020 . 1 . . . . 104 VAL HB . 18372 1 1437 . 1 1 104 104 VAL HG11 H 1 0.872 0.020 . 2 . . . . 104 VAL HG11 . 18372 1 1438 . 1 1 104 104 VAL HG12 H 1 0.872 0.020 . 2 . . . . 104 VAL HG12 . 18372 1 1439 . 1 1 104 104 VAL HG13 H 1 0.872 0.020 . 2 . . . . 104 VAL HG13 . 18372 1 1440 . 1 1 104 104 VAL HG21 H 1 0.884 0.020 . 2 . . . . 104 VAL HG21 . 18372 1 1441 . 1 1 104 104 VAL HG22 H 1 0.884 0.020 . 2 . . . . 104 VAL HG22 . 18372 1 1442 . 1 1 104 104 VAL HG23 H 1 0.884 0.020 . 2 . . . . 104 VAL HG23 . 18372 1 1443 . 1 1 104 104 VAL C C 13 174.423 0.400 . 1 . . . . 104 VAL C . 18372 1 1444 . 1 1 104 104 VAL CA C 13 59.805 0.400 . 1 . . . . 104 VAL CA . 18372 1 1445 . 1 1 104 104 VAL CB C 13 34.325 0.400 . 1 . . . . 104 VAL CB . 18372 1 1446 . 1 1 104 104 VAL CG1 C 13 21.336 0.400 . 1 . . . . 104 VAL CG1 . 18372 1 1447 . 1 1 104 104 VAL CG2 C 13 22.248 0.400 . 1 . . . . 104 VAL CG2 . 18372 1 1448 . 1 1 104 104 VAL N N 15 124.566 0.400 . 1 . . . . 104 VAL N . 18372 1 1449 . 1 1 105 105 ARG H H 1 8.856 0.020 . 1 . . . . 105 ARG H . 18372 1 1450 . 1 1 105 105 ARG HA H 1 4.809 0.020 . 1 . . . . 105 ARG HA . 18372 1 1451 . 1 1 105 105 ARG HB2 H 1 1.817 0.020 . 2 . . . . 105 ARG HB2 . 18372 1 1452 . 1 1 105 105 ARG HB3 H 1 1.792 0.020 . 2 . . . . 105 ARG HB3 . 18372 1 1453 . 1 1 105 105 ARG HG2 H 1 1.674 0.020 . 1 . . . . 105 ARG HG2 . 18372 1 1454 . 1 1 105 105 ARG HG3 H 1 1.673 0.020 . 1 . . . . 105 ARG HG3 . 18372 1 1455 . 1 1 105 105 ARG HD2 H 1 3.330 0.020 . 2 . . . . 105 ARG HD2 . 18372 1 1456 . 1 1 105 105 ARG HD3 H 1 3.208 0.020 . 2 . . . . 105 ARG HD3 . 18372 1 1457 . 1 1 105 105 ARG HE H 1 7.074 0.020 . 1 . . . . 105 ARG HE . 18372 1 1458 . 1 1 105 105 ARG C C 13 173.936 0.400 . 1 . . . . 105 ARG C . 18372 1 1459 . 1 1 105 105 ARG CA C 13 52.971 0.400 . 1 . . . . 105 ARG CA . 18372 1 1460 . 1 1 105 105 ARG CB C 13 32.498 0.400 . 1 . . . . 105 ARG CB . 18372 1 1461 . 1 1 105 105 ARG CG C 13 26.576 0.400 . 1 . . . . 105 ARG CG . 18372 1 1462 . 1 1 105 105 ARG CD C 13 42.078 0.400 . 1 . . . . 105 ARG CD . 18372 1 1463 . 1 1 105 105 ARG N N 15 125.585 0.400 . 1 . . . . 105 ARG N . 18372 1 1464 . 1 1 106 106 LYS H H 1 8.843 0.020 . 1 . . . . 106 LYS H . 18372 1 1465 . 1 1 106 106 LYS HA H 1 5.379 0.020 . 1 . . . . 106 LYS HA . 18372 1 1466 . 1 1 106 106 LYS HB2 H 1 1.719 0.020 . 2 . . . . 106 LYS HB2 . 18372 1 1467 . 1 1 106 106 LYS HB3 H 1 1.662 0.020 . 2 . . . . 106 LYS HB3 . 18372 1 1468 . 1 1 106 106 LYS HG2 H 1 1.460 0.020 . 2 . . . . 106 LYS HG2 . 18372 1 1469 . 1 1 106 106 LYS HG3 H 1 1.347 0.020 . 2 . . . . 106 LYS HG3 . 18372 1 1470 . 1 1 106 106 LYS HD2 H 1 1.574 0.020 . 1 . . . . 106 LYS HD2 . 18372 1 1471 . 1 1 106 106 LYS HD3 H 1 1.573 0.020 . 1 . . . . 106 LYS HD3 . 18372 1 1472 . 1 1 106 106 LYS HE2 H 1 2.948 0.020 . 1 . . . . 106 LYS HE2 . 18372 1 1473 . 1 1 106 106 LYS HE3 H 1 2.948 0.020 . 1 . . . . 106 LYS HE3 . 18372 1 1474 . 1 1 106 106 LYS C C 13 175.081 0.400 . 1 . . . . 106 LYS C . 18372 1 1475 . 1 1 106 106 LYS CA C 13 54.104 0.400 . 1 . . . . 106 LYS CA . 18372 1 1476 . 1 1 106 106 LYS CB C 13 34.671 0.400 . 1 . . . . 106 LYS CB . 18372 1 1477 . 1 1 106 106 LYS CG C 13 24.003 0.400 . 1 . . . . 106 LYS CG . 18372 1 1478 . 1 1 106 106 LYS CD C 13 29.231 0.400 . 1 . . . . 106 LYS CD . 18372 1 1479 . 1 1 106 106 LYS CE C 13 41.780 0.400 . 1 . . . . 106 LYS CE . 18372 1 1480 . 1 1 106 106 LYS N N 15 122.923 0.400 . 1 . . . . 106 LYS N . 18372 1 1481 . 1 1 107 107 VAL H H 1 8.635 0.020 . 1 . . . . 107 VAL H . 18372 1 1482 . 1 1 107 107 VAL HA H 1 4.643 0.020 . 1 . . . . 107 VAL HA . 18372 1 1483 . 1 1 107 107 VAL HB H 1 2.152 0.020 . 1 . . . . 107 VAL HB . 18372 1 1484 . 1 1 107 107 VAL HG11 H 1 0.806 0.020 . 2 . . . . 107 VAL HG11 . 18372 1 1485 . 1 1 107 107 VAL HG12 H 1 0.806 0.020 . 2 . . . . 107 VAL HG12 . 18372 1 1486 . 1 1 107 107 VAL HG13 H 1 0.806 0.020 . 2 . . . . 107 VAL HG13 . 18372 1 1487 . 1 1 107 107 VAL HG21 H 1 0.818 0.020 . 2 . . . . 107 VAL HG21 . 18372 1 1488 . 1 1 107 107 VAL HG22 H 1 0.818 0.020 . 2 . . . . 107 VAL HG22 . 18372 1 1489 . 1 1 107 107 VAL HG23 H 1 0.818 0.020 . 2 . . . . 107 VAL HG23 . 18372 1 1490 . 1 1 107 107 VAL C C 13 173.858 0.400 . 1 . . . . 107 VAL C . 18372 1 1491 . 1 1 107 107 VAL CA C 13 60.003 0.400 . 1 . . . . 107 VAL CA . 18372 1 1492 . 1 1 107 107 VAL CB C 13 34.845 0.400 . 1 . . . . 107 VAL CB . 18372 1 1493 . 1 1 107 107 VAL CG1 C 13 22.327 0.400 . 1 . . . . 107 VAL CG1 . 18372 1 1494 . 1 1 107 107 VAL CG2 C 13 20.166 0.400 . 1 . . . . 107 VAL CG2 . 18372 1 1495 . 1 1 107 107 VAL N N 15 119.298 0.400 . 1 . . . . 107 VAL N . 18372 1 1496 . 1 1 108 108 THR H H 1 8.744 0.020 . 1 . . . . 108 THR H . 18372 1 1497 . 1 1 108 108 THR HA H 1 4.733 0.020 . 1 . . . . 108 THR HA . 18372 1 1498 . 1 1 108 108 THR HB H 1 4.257 0.020 . 1 . . . . 108 THR HB . 18372 1 1499 . 1 1 108 108 THR HG21 H 1 1.248 0.020 . 1 . . . . 108 THR HG21 . 18372 1 1500 . 1 1 108 108 THR HG22 H 1 1.248 0.020 . 1 . . . . 108 THR HG22 . 18372 1 1501 . 1 1 108 108 THR HG23 H 1 1.248 0.020 . 1 . . . . 108 THR HG23 . 18372 1 1502 . 1 1 108 108 THR C C 13 174.608 0.400 . 1 . . . . 108 THR C . 18372 1 1503 . 1 1 108 108 THR CA C 13 62.189 0.400 . 1 . . . . 108 THR CA . 18372 1 1504 . 1 1 108 108 THR CB C 13 70.091 0.400 . 1 . . . . 108 THR CB . 18372 1 1505 . 1 1 108 108 THR CG2 C 13 21.440 0.400 . 1 . . . . 108 THR CG2 . 18372 1 1506 . 1 1 108 108 THR N N 15 114.144 0.400 . 1 . . . . 108 THR N . 18372 1 1507 . 1 1 109 109 ASP H H 1 7.949 0.020 . 1 . . . . 109 ASP H . 18372 1 1508 . 1 1 109 109 ASP HA H 1 4.780 0.020 . 1 . . . . 109 ASP HA . 18372 1 1509 . 1 1 109 109 ASP HB2 H 1 2.814 0.020 . 2 . . . . 109 ASP HB2 . 18372 1 1510 . 1 1 109 109 ASP HB3 H 1 2.770 0.020 . 2 . . . . 109 ASP HB3 . 18372 1 1511 . 1 1 109 109 ASP C C 13 175.830 0.400 . 1 . . . . 109 ASP C . 18372 1 1512 . 1 1 109 109 ASP CA C 13 53.768 0.400 . 1 . . . . 109 ASP CA . 18372 1 1513 . 1 1 109 109 ASP CB C 13 43.578 0.400 . 1 . . . . 109 ASP CB . 18372 1 1514 . 1 1 109 109 ASP N N 15 122.130 0.400 . 1 . . . . 109 ASP N . 18372 1 1515 . 1 1 110 110 ASP H H 1 8.741 0.020 . 1 . . . . 110 ASP H . 18372 1 1516 . 1 1 110 110 ASP HA H 1 4.075 0.020 . 1 . . . . 110 ASP HA . 18372 1 1517 . 1 1 110 110 ASP HB2 H 1 2.399 0.020 . 2 . . . . 110 ASP HB2 . 18372 1 1518 . 1 1 110 110 ASP HB3 H 1 2.684 0.020 . 2 . . . . 110 ASP HB3 . 18372 1 1519 . 1 1 110 110 ASP C C 13 177.641 0.400 . 1 . . . . 110 ASP C . 18372 1 1520 . 1 1 110 110 ASP CA C 13 57.445 0.400 . 1 . . . . 110 ASP CA . 18372 1 1521 . 1 1 110 110 ASP CB C 13 40.173 0.400 . 1 . . . . 110 ASP CB . 18372 1 1522 . 1 1 110 110 ASP N N 15 123.376 0.400 . 1 . . . . 110 ASP N . 18372 1 1523 . 1 1 111 111 GLU H H 1 8.267 0.020 . 1 . . . . 111 GLU H . 18372 1 1524 . 1 1 111 111 GLU HA H 1 4.007 0.020 . 1 . . . . 111 GLU HA . 18372 1 1525 . 1 1 111 111 GLU HB2 H 1 2.099 0.020 . 2 . . . . 111 GLU HB2 . 18372 1 1526 . 1 1 111 111 GLU HB3 H 1 2.023 0.020 . 2 . . . . 111 GLU HB3 . 18372 1 1527 . 1 1 111 111 GLU HG2 H 1 2.318 0.020 . 2 . . . . 111 GLU HG2 . 18372 1 1528 . 1 1 111 111 GLU HG3 H 1 2.320 0.020 . 2 . . . . 111 GLU HG3 . 18372 1 1529 . 1 1 111 111 GLU C C 13 179.657 0.400 . 1 . . . . 111 GLU C . 18372 1 1530 . 1 1 111 111 GLU CA C 13 59.141 0.400 . 1 . . . . 111 GLU CA . 18372 1 1531 . 1 1 111 111 GLU CB C 13 28.454 0.400 . 1 . . . . 111 GLU CB . 18372 1 1532 . 1 1 111 111 GLU CG C 13 36.010 0.400 . 1 . . . . 111 GLU CG . 18372 1 1533 . 1 1 111 111 GLU N N 15 118.562 0.400 . 1 . . . . 111 GLU N . 18372 1 1534 . 1 1 112 112 GLU H H 1 8.130 0.020 . 1 . . . . 112 GLU H . 18372 1 1535 . 1 1 112 112 GLU HA H 1 4.057 0.020 . 1 . . . . 112 GLU HA . 18372 1 1536 . 1 1 112 112 GLU HB2 H 1 2.139 0.020 . 2 . . . . 112 GLU HB2 . 18372 1 1537 . 1 1 112 112 GLU HB3 H 1 2.142 0.020 . 2 . . . . 112 GLU HB3 . 18372 1 1538 . 1 1 112 112 GLU HG2 H 1 2.349 0.020 . 2 . . . . 112 GLU HG2 . 18372 1 1539 . 1 1 112 112 GLU HG3 H 1 2.442 0.020 . 2 . . . . 112 GLU HG3 . 18372 1 1540 . 1 1 112 112 GLU C C 13 178.396 0.400 . 1 . . . . 112 GLU C . 18372 1 1541 . 1 1 112 112 GLU CA C 13 59.092 0.400 . 1 . . . . 112 GLU CA . 18372 1 1542 . 1 1 112 112 GLU CB C 13 29.118 0.400 . 1 . . . . 112 GLU CB . 18372 1 1543 . 1 1 112 112 GLU CG C 13 36.193 0.400 . 1 . . . . 112 GLU CG . 18372 1 1544 . 1 1 112 112 GLU N N 15 121.054 0.400 . 1 . . . . 112 GLU N . 18372 1 1545 . 1 1 113 113 ALA H H 1 7.824 0.020 . 1 . . . . 113 ALA H . 18372 1 1546 . 1 1 113 113 ALA HA H 1 3.881 0.020 . 1 . . . . 113 ALA HA . 18372 1 1547 . 1 1 113 113 ALA HB1 H 1 1.410 0.020 . 1 . . . . 113 ALA HB1 . 18372 1 1548 . 1 1 113 113 ALA HB2 H 1 1.410 0.020 . 1 . . . . 113 ALA HB2 . 18372 1 1549 . 1 1 113 113 ALA HB3 H 1 1.410 0.020 . 1 . . . . 113 ALA HB3 . 18372 1 1550 . 1 1 113 113 ALA C C 13 178.491 0.400 . 1 . . . . 113 ALA C . 18372 1 1551 . 1 1 113 113 ALA CA C 13 55.245 0.400 . 1 . . . . 113 ALA CA . 18372 1 1552 . 1 1 113 113 ALA CB C 13 18.203 0.400 . 1 . . . . 113 ALA CB . 18372 1 1553 . 1 1 113 113 ALA N N 15 120.091 0.400 . 1 . . . . 113 ALA N . 18372 1 1554 . 1 1 114 114 LEU H H 1 7.944 0.020 . 1 . . . . 114 LEU H . 18372 1 1555 . 1 1 114 114 LEU HA H 1 3.721 0.020 . 1 . . . . 114 LEU HA . 18372 1 1556 . 1 1 114 114 LEU HB2 H 1 1.769 0.020 . 2 . . . . 114 LEU HB2 . 18372 1 1557 . 1 1 114 114 LEU HB3 H 1 1.385 0.020 . 2 . . . . 114 LEU HB3 . 18372 1 1558 . 1 1 114 114 LEU HG H 1 1.652 0.020 . 1 . . . . 114 LEU HG . 18372 1 1559 . 1 1 114 114 LEU HD11 H 1 0.805 0.020 . 2 . . . . 114 LEU HD11 . 18372 1 1560 . 1 1 114 114 LEU HD12 H 1 0.805 0.020 . 2 . . . . 114 LEU HD12 . 18372 1 1561 . 1 1 114 114 LEU HD13 H 1 0.805 0.020 . 2 . . . . 114 LEU HD13 . 18372 1 1562 . 1 1 114 114 LEU HD21 H 1 0.683 0.020 . 2 . . . . 114 LEU HD21 . 18372 1 1563 . 1 1 114 114 LEU HD22 H 1 0.683 0.020 . 2 . . . . 114 LEU HD22 . 18372 1 1564 . 1 1 114 114 LEU HD23 H 1 0.683 0.020 . 2 . . . . 114 LEU HD23 . 18372 1 1565 . 1 1 114 114 LEU C C 13 178.368 0.400 . 1 . . . . 114 LEU C . 18372 1 1566 . 1 1 114 114 LEU CA C 13 57.670 0.400 . 1 . . . . 114 LEU CA . 18372 1 1567 . 1 1 114 114 LEU CB C 13 41.024 0.400 . 1 . . . . 114 LEU CB . 18372 1 1568 . 1 1 114 114 LEU CG C 13 26.770 0.400 . 1 . . . . 114 LEU CG . 18372 1 1569 . 1 1 114 114 LEU CD1 C 13 25.028 0.400 . 1 . . . . 114 LEU CD1 . 18372 1 1570 . 1 1 114 114 LEU CD2 C 13 23.240 0.400 . 1 . . . . 114 LEU CD2 . 18372 1 1571 . 1 1 114 114 LEU N N 15 116.707 0.400 . 1 . . . . 114 LEU N . 18372 1 1572 . 1 1 115 115 LYS H H 1 7.867 0.020 . 1 . . . . 115 LYS H . 18372 1 1573 . 1 1 115 115 LYS HA H 1 3.855 0.020 . 1 . . . . 115 LYS HA . 18372 1 1574 . 1 1 115 115 LYS HB2 H 1 1.928 0.020 . 2 . . . . 115 LYS HB2 . 18372 1 1575 . 1 1 115 115 LYS HB3 H 1 1.934 0.020 . 2 . . . . 115 LYS HB3 . 18372 1 1576 . 1 1 115 115 LYS HG2 H 1 1.561 0.020 . 2 . . . . 115 LYS HG2 . 18372 1 1577 . 1 1 115 115 LYS HG3 H 1 1.314 0.020 . 2 . . . . 115 LYS HG3 . 18372 1 1578 . 1 1 115 115 LYS HD2 H 1 1.669 0.020 . 1 . . . . 115 LYS HD2 . 18372 1 1579 . 1 1 115 115 LYS HD3 H 1 1.670 0.020 . 1 . . . . 115 LYS HD3 . 18372 1 1580 . 1 1 115 115 LYS HE2 H 1 2.929 0.020 . 1 . . . . 115 LYS HE2 . 18372 1 1581 . 1 1 115 115 LYS HE3 H 1 2.929 0.020 . 1 . . . . 115 LYS HE3 . 18372 1 1582 . 1 1 115 115 LYS C C 13 179.087 0.400 . 1 . . . . 115 LYS C . 18372 1 1583 . 1 1 115 115 LYS CA C 13 60.194 0.400 . 1 . . . . 115 LYS CA . 18372 1 1584 . 1 1 115 115 LYS CB C 13 32.168 0.400 . 1 . . . . 115 LYS CB . 18372 1 1585 . 1 1 115 115 LYS CG C 13 24.910 0.400 . 1 . . . . 115 LYS CG . 18372 1 1586 . 1 1 115 115 LYS CD C 13 29.549 0.400 . 1 . . . . 115 LYS CD . 18372 1 1587 . 1 1 115 115 LYS CE C 13 41.780 0.400 . 1 . . . . 115 LYS CE . 18372 1 1588 . 1 1 115 115 LYS N N 15 119.581 0.400 . 1 . . . . 115 LYS N . 18372 1 1589 . 1 1 116 116 ILE H H 1 7.798 0.020 . 1 . . . . 116 ILE H . 18372 1 1590 . 1 1 116 116 ILE HA H 1 3.646 0.020 . 1 . . . . 116 ILE HA . 18372 1 1591 . 1 1 116 116 ILE HB H 1 1.829 0.020 . 1 . . . . 116 ILE HB . 18372 1 1592 . 1 1 116 116 ILE HG12 H 1 1.757 0.020 . 2 . . . . 116 ILE HG12 . 18372 1 1593 . 1 1 116 116 ILE HG13 H 1 1.071 0.020 . 2 . . . . 116 ILE HG13 . 18372 1 1594 . 1 1 116 116 ILE HG21 H 1 0.584 0.020 . 1 . . . . 116 ILE HG21 . 18372 1 1595 . 1 1 116 116 ILE HG22 H 1 0.584 0.020 . 1 . . . . 116 ILE HG22 . 18372 1 1596 . 1 1 116 116 ILE HG23 H 1 0.584 0.020 . 1 . . . . 116 ILE HG23 . 18372 1 1597 . 1 1 116 116 ILE HD11 H 1 0.772 0.020 . 1 . . . . 116 ILE HD11 . 18372 1 1598 . 1 1 116 116 ILE HD12 H 1 0.772 0.020 . 1 . . . . 116 ILE HD12 . 18372 1 1599 . 1 1 116 116 ILE HD13 H 1 0.772 0.020 . 1 . . . . 116 ILE HD13 . 18372 1 1600 . 1 1 116 116 ILE C C 13 177.936 0.400 . 1 . . . . 116 ILE C . 18372 1 1601 . 1 1 116 116 ILE CA C 13 64.530 0.400 . 1 . . . . 116 ILE CA . 18372 1 1602 . 1 1 116 116 ILE CB C 13 37.274 0.400 . 1 . . . . 116 ILE CB . 18372 1 1603 . 1 1 116 116 ILE CG1 C 13 28.888 0.400 . 1 . . . . 116 ILE CG1 . 18372 1 1604 . 1 1 116 116 ILE CG2 C 13 17.897 0.400 . 1 . . . . 116 ILE CG2 . 18372 1 1605 . 1 1 116 116 ILE CD1 C 13 14.040 0.400 . 1 . . . . 116 ILE CD1 . 18372 1 1606 . 1 1 116 116 ILE N N 15 119.849 0.400 . 1 . . . . 116 ILE N . 18372 1 1607 . 1 1 117 117 VAL H H 1 8.039 0.020 . 1 . . . . 117 VAL H . 18372 1 1608 . 1 1 117 117 VAL HA H 1 3.355 0.020 . 1 . . . . 117 VAL HA . 18372 1 1609 . 1 1 117 117 VAL HB H 1 2.087 0.020 . 1 . . . . 117 VAL HB . 18372 1 1610 . 1 1 117 117 VAL HG11 H 1 0.752 0.020 . 2 . . . . 117 VAL HG11 . 18372 1 1611 . 1 1 117 117 VAL HG12 H 1 0.752 0.020 . 2 . . . . 117 VAL HG12 . 18372 1 1612 . 1 1 117 117 VAL HG13 H 1 0.752 0.020 . 2 . . . . 117 VAL HG13 . 18372 1 1613 . 1 1 117 117 VAL HG21 H 1 0.865 0.020 . 2 . . . . 117 VAL HG21 . 18372 1 1614 . 1 1 117 117 VAL HG22 H 1 0.865 0.020 . 2 . . . . 117 VAL HG22 . 18372 1 1615 . 1 1 117 117 VAL HG23 H 1 0.865 0.020 . 2 . . . . 117 VAL HG23 . 18372 1 1616 . 1 1 117 117 VAL C C 13 177.360 0.400 . 1 . . . . 117 VAL C . 18372 1 1617 . 1 1 117 117 VAL CA C 13 67.310 0.400 . 1 . . . . 117 VAL CA . 18372 1 1618 . 1 1 117 117 VAL CB C 13 31.257 0.400 . 1 . . . . 117 VAL CB . 18372 1 1619 . 1 1 117 117 VAL CG1 C 13 21.404 0.400 . 1 . . . . 117 VAL CG1 . 18372 1 1620 . 1 1 117 117 VAL CG2 C 13 23.449 0.400 . 1 . . . . 117 VAL CG2 . 18372 1 1621 . 1 1 117 117 VAL N N 15 120.204 0.400 . 1 . . . . 117 VAL N . 18372 1 1622 . 1 1 118 118 ARG H H 1 8.413 0.020 . 1 . . . . 118 ARG H . 18372 1 1623 . 1 1 118 118 ARG HA H 1 3.851 0.020 . 1 . . . . 118 ARG HA . 18372 1 1624 . 1 1 118 118 ARG HB2 H 1 1.820 0.020 . 2 . . . . 118 ARG HB2 . 18372 1 1625 . 1 1 118 118 ARG HB3 H 1 1.881 0.020 . 2 . . . . 118 ARG HB3 . 18372 1 1626 . 1 1 118 118 ARG HG2 H 1 1.729 0.020 . 2 . . . . 118 ARG HG2 . 18372 1 1627 . 1 1 118 118 ARG HG3 H 1 1.483 0.020 . 2 . . . . 118 ARG HG3 . 18372 1 1628 . 1 1 118 118 ARG HD2 H 1 3.161 0.020 . 2 . . . . 118 ARG HD2 . 18372 1 1629 . 1 1 118 118 ARG HD3 H 1 3.007 0.020 . 2 . . . . 118 ARG HD3 . 18372 1 1630 . 1 1 118 118 ARG HE H 1 7.644 0.020 . 1 . . . . 118 ARG HE . 18372 1 1631 . 1 1 118 118 ARG C C 13 178.893 0.400 . 1 . . . . 118 ARG C . 18372 1 1632 . 1 1 118 118 ARG CA C 13 60.355 0.400 . 1 . . . . 118 ARG CA . 18372 1 1633 . 1 1 118 118 ARG CB C 13 29.964 0.400 . 1 . . . . 118 ARG CB . 18372 1 1634 . 1 1 118 118 ARG CG C 13 28.010 0.400 . 1 . . . . 118 ARG CG . 18372 1 1635 . 1 1 118 118 ARG CD C 13 43.758 0.400 . 1 . . . . 118 ARG CD . 18372 1 1636 . 1 1 118 118 ARG N N 15 119.015 0.400 . 1 . . . . 118 ARG N . 18372 1 1637 . 1 1 119 119 GLU H H 1 8.082 0.020 . 1 . . . . 119 GLU H . 18372 1 1638 . 1 1 119 119 GLU HA H 1 3.964 0.020 . 1 . . . . 119 GLU HA . 18372 1 1639 . 1 1 119 119 GLU HB2 H 1 2.138 0.020 . 2 . . . . 119 GLU HB2 . 18372 1 1640 . 1 1 119 119 GLU HB3 H 1 2.066 0.020 . 2 . . . . 119 GLU HB3 . 18372 1 1641 . 1 1 119 119 GLU HG2 H 1 2.132 0.020 . 2 . . . . 119 GLU HG2 . 18372 1 1642 . 1 1 119 119 GLU HG3 H 1 2.459 0.020 . 2 . . . . 119 GLU HG3 . 18372 1 1643 . 1 1 119 119 GLU C C 13 179.038 0.400 . 1 . . . . 119 GLU C . 18372 1 1644 . 1 1 119 119 GLU CA C 13 59.254 0.400 . 1 . . . . 119 GLU CA . 18372 1 1645 . 1 1 119 119 GLU CB C 13 28.918 0.400 . 1 . . . . 119 GLU CB . 18372 1 1646 . 1 1 119 119 GLU CG C 13 36.010 0.400 . 1 . . . . 119 GLU CG . 18372 1 1647 . 1 1 119 119 GLU N N 15 120.148 0.400 . 1 . . . . 119 GLU N . 18372 1 1648 . 1 1 120 120 PHE H H 1 8.389 0.020 . 1 . . . . 120 PHE H . 18372 1 1649 . 1 1 120 120 PHE HA H 1 4.126 0.020 . 1 . . . . 120 PHE HA . 18372 1 1650 . 1 1 120 120 PHE HB2 H 1 3.144 0.020 . 2 . . . . 120 PHE HB2 . 18372 1 1651 . 1 1 120 120 PHE HB3 H 1 2.918 0.020 . 2 . . . . 120 PHE HB3 . 18372 1 1652 . 1 1 120 120 PHE HD1 H 1 6.890 0.020 . 1 . . . . 120 PHE HD1 . 18372 1 1653 . 1 1 120 120 PHE HD2 H 1 6.890 0.020 . 1 . . . . 120 PHE HD2 . 18372 1 1654 . 1 1 120 120 PHE HE1 H 1 7.106 0.020 . 1 . . . . 120 PHE HE1 . 18372 1 1655 . 1 1 120 120 PHE HE2 H 1 7.106 0.020 . 1 . . . . 120 PHE HE2 . 18372 1 1656 . 1 1 120 120 PHE HZ H 1 7.051 0.020 . 1 . . . . 120 PHE HZ . 18372 1 1657 . 1 1 120 120 PHE C C 13 177.401 0.400 . 1 . . . . 120 PHE C . 18372 1 1658 . 1 1 120 120 PHE CA C 13 59.216 0.400 . 1 . . . . 120 PHE CA . 18372 1 1659 . 1 1 120 120 PHE CB C 13 38.172 0.400 . 1 . . . . 120 PHE CB . 18372 1 1660 . 1 1 120 120 PHE CD1 C 13 130.700 0.400 . 1 . . . . 120 PHE CD1 . 18372 1 1661 . 1 1 120 120 PHE CD2 C 13 131.018 0.400 . 1 . . . . 120 PHE CD2 . 18372 1 1662 . 1 1 120 120 PHE CE1 C 13 130.540 0.400 . 1 . . . . 120 PHE CE1 . 18372 1 1663 . 1 1 120 120 PHE CE2 C 13 130.939 0.400 . 1 . . . . 120 PHE CE2 . 18372 1 1664 . 1 1 120 120 PHE CZ C 13 129.468 0.400 . 1 . . . . 120 PHE CZ . 18372 1 1665 . 1 1 120 120 PHE N N 15 119.921 0.400 . 1 . . . . 120 PHE N . 18372 1 1666 . 1 1 121 121 MET H H 1 8.032 0.020 . 1 . . . . 121 MET H . 18372 1 1667 . 1 1 121 121 MET HA H 1 3.883 0.020 . 1 . . . . 121 MET HA . 18372 1 1668 . 1 1 121 121 MET HB2 H 1 2.230 0.020 . 2 . . . . 121 MET HB2 . 18372 1 1669 . 1 1 121 121 MET HB3 H 1 1.991 0.020 . 2 . . . . 121 MET HB3 . 18372 1 1670 . 1 1 121 121 MET HG2 H 1 1.993 0.020 . 2 . . . . 121 MET HG2 . 18372 1 1671 . 1 1 121 121 MET HG3 H 1 2.682 0.020 . 2 . . . . 121 MET HG3 . 18372 1 1672 . 1 1 121 121 MET HE1 H 1 1.794 0.020 . 1 . . . . 121 MET HE1 . 18372 1 1673 . 1 1 121 121 MET HE2 H 1 1.794 0.020 . 1 . . . . 121 MET HE2 . 18372 1 1674 . 1 1 121 121 MET HE3 H 1 1.794 0.020 . 1 . . . . 121 MET HE3 . 18372 1 1675 . 1 1 121 121 MET C C 13 177.562 0.400 . 1 . . . . 121 MET C . 18372 1 1676 . 1 1 121 121 MET CA C 13 58.343 0.400 . 1 . . . . 121 MET CA . 18372 1 1677 . 1 1 121 121 MET CB C 13 33.389 0.400 . 1 . . . . 121 MET CB . 18372 1 1678 . 1 1 121 121 MET CG C 13 31.864 0.400 . 1 . . . . 121 MET CG . 18372 1 1679 . 1 1 121 121 MET CE C 13 16.760 0.400 . 1 . . . . 121 MET CE . 18372 1 1680 . 1 1 121 121 MET N N 15 116.013 0.400 . 1 . . . . 121 MET N . 18372 1 1681 . 1 1 122 122 GLN H H 1 7.748 0.020 . 1 . . . . 122 GLN H . 18372 1 1682 . 1 1 122 122 GLN HA H 1 4.163 0.020 . 1 . . . . 122 GLN HA . 18372 1 1683 . 1 1 122 122 GLN HB2 H 1 2.129 0.020 . 2 . . . . 122 GLN HB2 . 18372 1 1684 . 1 1 122 122 GLN HB3 H 1 2.132 0.020 . 2 . . . . 122 GLN HB3 . 18372 1 1685 . 1 1 122 122 GLN HG2 H 1 2.423 0.020 . 2 . . . . 122 GLN HG2 . 18372 1 1686 . 1 1 122 122 GLN HG3 H 1 2.498 0.020 . 2 . . . . 122 GLN HG3 . 18372 1 1687 . 1 1 122 122 GLN HE21 H 1 7.474 0.020 . 2 . . . . 122 GLN HE21 . 18372 1 1688 . 1 1 122 122 GLN HE22 H 1 6.823 0.020 . 2 . . . . 122 GLN HE22 . 18372 1 1689 . 1 1 122 122 GLN C C 13 176.917 0.400 . 1 . . . . 122 GLN C . 18372 1 1690 . 1 1 122 122 GLN CA C 13 57.338 0.400 . 1 . . . . 122 GLN CA . 18372 1 1691 . 1 1 122 122 GLN CB C 13 28.675 0.400 . 1 . . . . 122 GLN CB . 18372 1 1692 . 1 1 122 122 GLN CG C 13 33.914 0.400 . 1 . . . . 122 GLN CG . 18372 1 1693 . 1 1 122 122 GLN N N 15 117.857 0.400 . 1 . . . . 122 GLN N . 18372 1 1694 . 1 1 122 122 GLN NE2 N 15 111.480 0.400 . 1 . . . . 122 GLN NE2 . 18372 1 1695 . 1 1 123 123 LYS H H 1 7.917 0.020 . 1 . . . . 123 LYS H . 18372 1 1696 . 1 1 123 123 LYS HA H 1 4.155 0.020 . 1 . . . . 123 LYS HA . 18372 1 1697 . 1 1 123 123 LYS HB2 H 1 1.813 0.020 . 2 . . . . 123 LYS HB2 . 18372 1 1698 . 1 1 123 123 LYS HB3 H 1 1.755 0.020 . 2 . . . . 123 LYS HB3 . 18372 1 1699 . 1 1 123 123 LYS HG2 H 1 1.446 0.020 . 2 . . . . 123 LYS HG2 . 18372 1 1700 . 1 1 123 123 LYS HG3 H 1 1.518 0.020 . 2 . . . . 123 LYS HG3 . 18372 1 1701 . 1 1 123 123 LYS HD2 H 1 1.652 0.020 . 1 . . . . 123 LYS HD2 . 18372 1 1702 . 1 1 123 123 LYS HD3 H 1 1.653 0.020 . 1 . . . . 123 LYS HD3 . 18372 1 1703 . 1 1 123 123 LYS HE2 H 1 2.942 0.020 . 1 . . . . 123 LYS HE2 . 18372 1 1704 . 1 1 123 123 LYS HE3 H 1 2.942 0.020 . 1 . . . . 123 LYS HE3 . 18372 1 1705 . 1 1 123 123 LYS C C 13 177.091 0.400 . 1 . . . . 123 LYS C . 18372 1 1706 . 1 1 123 123 LYS CA C 13 57.476 0.400 . 1 . . . . 123 LYS CA . 18372 1 1707 . 1 1 123 123 LYS CB C 13 32.765 0.400 . 1 . . . . 123 LYS CB . 18372 1 1708 . 1 1 123 123 LYS CG C 13 24.906 0.400 . 1 . . . . 123 LYS CG . 18372 1 1709 . 1 1 123 123 LYS CD C 13 29.286 0.400 . 1 . . . . 123 LYS CD . 18372 1 1710 . 1 1 123 123 LYS CE C 13 41.780 0.400 . 1 . . . . 123 LYS CE . 18372 1 1711 . 1 1 123 123 LYS N N 15 120.714 0.400 . 1 . . . . 123 LYS N . 18372 1 1712 . 1 1 124 124 ALA H H 1 8.229 0.020 . 1 . . . . 124 ALA H . 18372 1 1713 . 1 1 124 124 ALA HA H 1 4.261 0.020 . 1 . . . . 124 ALA HA . 18372 1 1714 . 1 1 124 124 ALA HB1 H 1 1.365 0.020 . 1 . . . . 124 ALA HB1 . 18372 1 1715 . 1 1 124 124 ALA HB2 H 1 1.365 0.020 . 1 . . . . 124 ALA HB2 . 18372 1 1716 . 1 1 124 124 ALA HB3 H 1 1.365 0.020 . 1 . . . . 124 ALA HB3 . 18372 1 1717 . 1 1 124 124 ALA C C 13 178.380 0.400 . 1 . . . . 124 ALA C . 18372 1 1718 . 1 1 124 124 ALA CA C 13 53.077 0.400 . 1 . . . . 124 ALA CA . 18372 1 1719 . 1 1 124 124 ALA CB C 13 18.783 0.400 . 1 . . . . 124 ALA CB . 18372 1 1720 . 1 1 124 124 ALA N N 15 124.736 0.400 . 1 . . . . 124 ALA N . 18372 1 1721 . 1 1 125 125 GLY H H 1 8.462 0.020 . 1 . . . . 125 GLY H . 18372 1 1722 . 1 1 125 125 GLY HA2 H 1 4.004 0.020 . 2 . . . . 125 GLY HA2 . 18372 1 1723 . 1 1 125 125 GLY HA3 H 1 3.938 0.020 . 2 . . . . 125 GLY HA3 . 18372 1 1724 . 1 1 125 125 GLY C C 13 174.300 0.400 . 1 . . . . 125 GLY C . 18372 1 1725 . 1 1 125 125 GLY CA C 13 45.256 0.400 . 1 . . . . 125 GLY CA . 18372 1 1726 . 1 1 125 125 GLY N N 15 108.027 0.400 . 1 . . . . 125 GLY N . 18372 1 1727 . 1 1 126 126 SER H H 1 8.118 0.020 . 1 . . . . 126 SER H . 18372 1 1728 . 1 1 126 126 SER HA H 1 4.437 0.020 . 1 . . . . 126 SER HA . 18372 1 1729 . 1 1 126 126 SER HB2 H 1 3.876 0.020 . 2 . . . . 126 SER HB2 . 18372 1 1730 . 1 1 126 126 SER HB3 H 1 3.917 0.020 . 2 . . . . 126 SER HB3 . 18372 1 1731 . 1 1 126 126 SER C C 13 174.560 0.400 . 1 . . . . 126 SER C . 18372 1 1732 . 1 1 126 126 SER CA C 13 58.481 0.400 . 1 . . . . 126 SER CA . 18372 1 1733 . 1 1 126 126 SER CB C 13 63.853 0.400 . 1 . . . . 126 SER CB . 18372 1 1734 . 1 1 126 126 SER N N 15 115.513 0.400 . 1 . . . . 126 SER N . 18372 1 1735 . 1 1 127 127 LEU H H 1 8.313 0.020 . 1 . . . . 127 LEU H . 18372 1 1736 . 1 1 127 127 LEU HA H 1 4.307 0.020 . 1 . . . . 127 LEU HA . 18372 1 1737 . 1 1 127 127 LEU HB2 H 1 1.527 0.020 . 2 . . . . 127 LEU HB2 . 18372 1 1738 . 1 1 127 127 LEU HB3 H 1 1.604 0.020 . 2 . . . . 127 LEU HB3 . 18372 1 1739 . 1 1 127 127 LEU HG H 1 1.620 0.020 . 1 . . . . 127 LEU HG . 18372 1 1740 . 1 1 127 127 LEU HD11 H 1 0.896 0.020 . 2 . . . . 127 LEU HD11 . 18372 1 1741 . 1 1 127 127 LEU HD12 H 1 0.896 0.020 . 2 . . . . 127 LEU HD12 . 18372 1 1742 . 1 1 127 127 LEU HD13 H 1 0.896 0.020 . 2 . . . . 127 LEU HD13 . 18372 1 1743 . 1 1 127 127 LEU HD21 H 1 0.832 0.020 . 2 . . . . 127 LEU HD21 . 18372 1 1744 . 1 1 127 127 LEU HD22 H 1 0.832 0.020 . 2 . . . . 127 LEU HD22 . 18372 1 1745 . 1 1 127 127 LEU HD23 H 1 0.832 0.020 . 2 . . . . 127 LEU HD23 . 18372 1 1746 . 1 1 127 127 LEU C C 13 177.265 0.400 . 1 . . . . 127 LEU C . 18372 1 1747 . 1 1 127 127 LEU CA C 13 55.188 0.400 . 1 . . . . 127 LEU CA . 18372 1 1748 . 1 1 127 127 LEU CB C 13 42.090 0.400 . 1 . . . . 127 LEU CB . 18372 1 1749 . 1 1 127 127 LEU CG C 13 26.770 0.400 . 1 . . . . 127 LEU CG . 18372 1 1750 . 1 1 127 127 LEU CD1 C 13 25.005 0.400 . 1 . . . . 127 LEU CD1 . 18372 1 1751 . 1 1 127 127 LEU CD2 C 13 23.250 0.400 . 1 . . . . 127 LEU CD2 . 18372 1 1752 . 1 1 127 127 LEU N N 15 123.773 0.400 . 1 . . . . 127 LEU N . 18372 1 1753 . 1 1 128 128 GLU H H 1 8.289 0.020 . 1 . . . . 128 GLU H . 18372 1 1754 . 1 1 128 128 GLU HA H 1 4.139 0.020 . 1 . . . . 128 GLU HA . 18372 1 1755 . 1 1 128 128 GLU HB2 H 1 1.830 0.020 . 2 . . . . 128 GLU HB2 . 18372 1 1756 . 1 1 128 128 GLU HB3 H 1 1.895 0.020 . 2 . . . . 128 GLU HB3 . 18372 1 1757 . 1 1 128 128 GLU HG2 H 1 2.178 0.020 . 2 . . . . 128 GLU HG2 . 18372 1 1758 . 1 1 128 128 GLU HG3 H 1 2.112 0.020 . 2 . . . . 128 GLU HG3 . 18372 1 1759 . 1 1 128 128 GLU CA C 13 56.679 0.400 . 1 . . . . 128 GLU CA . 18372 1 1760 . 1 1 128 128 GLU CB C 13 29.785 0.400 . 1 . . . . 128 GLU CB . 18372 1 1761 . 1 1 128 128 GLU CG C 13 36.010 0.400 . 1 . . . . 128 GLU CG . 18372 1 1762 . 1 1 128 128 GLU N N 15 120.771 0.400 . 1 . . . . 128 GLU N . 18372 1 1763 . 1 1 129 129 HIS H H 1 8.166 0.020 . 1 . . . . 129 HIS H . 18372 1 1764 . 1 1 129 129 HIS HA H 1 4.406 0.020 . 1 . . . . 129 HIS HA . 18372 1 1765 . 1 1 129 129 HIS HB2 H 1 3.000 0.020 . 1 . . . . 129 HIS HB2 . 18372 1 1766 . 1 1 129 129 HIS HB3 H 1 3.000 0.020 . 1 . . . . 129 HIS HB3 . 18372 1 1767 . 1 1 129 129 HIS C C 13 173.992 0.400 . 1 . . . . 129 HIS C . 18372 1 1768 . 1 1 130 130 HIS H H 1 7.935 0.020 . 1 . . . . 130 HIS H . 18372 1 1769 . 1 1 130 130 HIS HA H 1 4.591 0.020 . 1 . . . . 130 HIS HA . 18372 1 1770 . 1 1 130 130 HIS HB2 H 1 3.000 0.020 . 1 . . . . 130 HIS HB2 . 18372 1 1771 . 1 1 130 130 HIS HB3 H 1 3.000 0.020 . 1 . . . . 130 HIS HB3 . 18372 1 1772 . 1 1 130 130 HIS CA C 13 57.372 0.400 . 1 . . . . 130 HIS CA . 18372 1 1773 . 1 1 130 130 HIS CB C 13 30.713 0.400 . 1 . . . . 130 HIS CB . 18372 1 1774 . 1 1 130 130 HIS N N 15 125.755 0.400 . 1 . . . . 130 HIS N . 18372 1 stop_ save_ ################################ # Residual dipolar couplings # ################################ save_RDC_list_1 _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode RDC_list_1 _RDC_list.Entry_ID 18372 _RDC_list.ID 1 _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $sample_conditions_1 _RDC_list.Spectrometer_frequency_1H 599.520 _RDC_list.Bond_length_usage_flag . _RDC_list.Dipolar_constraint_calib_method . _RDC_list.Mol_align_tensor_axial_sym_mol . _RDC_list.Mol_align_tensor_rhombic_mol . _RDC_list.General_order_param_int_motions . _RDC_list.Assumed_H_N_bond_length . _RDC_list.Assumed_H_C_bond_length . _RDC_list.Assumed_C_N_bond_length . _RDC_list.Details . _RDC_list.Text_data_format . _RDC_list.Text_data . loop_ _RDC_experiment.Experiment_ID _RDC_experiment.Experiment_name _RDC_experiment.Sample_ID _RDC_experiment.Sample_label _RDC_experiment.Sample_state _RDC_experiment.Entry_ID _RDC_experiment.RDC_list_ID 9 '2D 1H-15N HSQC' . . . 18372 1 stop_ loop_ _RDC.ID _RDC.RDC_code _RDC.Assembly_atom_ID_1 _RDC.Entity_assembly_ID_1 _RDC.Entity_ID_1 _RDC.Comp_index_ID_1 _RDC.Seq_ID_1 _RDC.Comp_ID_1 _RDC.Atom_ID_1 _RDC.Atom_type_1 _RDC.Atom_isotope_number_1 _RDC.Ambiguity_code_1 _RDC.Assembly_atom_ID_2 _RDC.Entity_assembly_ID_2 _RDC.Entity_ID_2 _RDC.Comp_index_ID_2 _RDC.Seq_ID_2 _RDC.Comp_ID_2 _RDC.Atom_ID_2 _RDC.Atom_type_2 _RDC.Atom_isotope_number_2 _RDC.Ambiguity_code_2 _RDC.Val _RDC.Val_min _RDC.Val_max _RDC.Val_err _RDC.Val_bond_length _RDC.Resonance_ID_1 _RDC.Resonance_ID_2 _RDC.Auth_entity_assembly_ID_1 _RDC.Auth_seq_ID_1 _RDC.Auth_comp_ID_1 _RDC.Auth_atom_ID_1 _RDC.Auth_entity_assembly_ID_2 _RDC.Auth_seq_ID_2 _RDC.Auth_comp_ID_2 _RDC.Auth_atom_ID_2 _RDC.Entry_ID _RDC.RDC_list_ID 1 DHN . 1 1 3 3 GLU H H 1 . . 1 1 3 3 GLU N N 15 . -1.742 . . 2.500 1.000 . . . . . . . . . . 18372 1 2 DHN . 1 1 4 4 LEU H H 1 . . 1 1 4 4 LEU N N 15 . 0.463 . . 2.500 1.000 . . . . . . . . . . 18372 1 3 DHN . 1 1 5 5 ILE H H 1 . . 1 1 5 5 ILE N N 15 . 1.723 . . 2.500 1.000 . . . . . . . . . . 18372 1 4 DHN . 1 1 6 6 LEU H H 1 . . 1 1 6 6 LEU N N 15 . 1.106 . . 2.500 1.000 . . . . . . . . . . 18372 1 5 DHN . 1 1 7 7 ILE H H 1 . . 1 1 7 7 ILE N N 15 . -0.687 . . 2.500 1.000 . . . . . . . . . . 18372 1 6 DHN . 1 1 8 8 ASN H H 1 . . 1 1 8 8 ASN N N 15 . -1.462 . . 2.500 1.000 . . . . . . . . . . 18372 1 7 DHN . 1 1 10 10 ASN H H 1 . . 1 1 10 10 ASN N N 15 . -1.679 . . 2.500 1.000 . . . . . . . . . . 18372 1 8 DHN . 1 1 12 12 ASP H H 1 . . 1 1 12 12 ASP N N 15 . 12.544 . . 2.500 1.000 . . . . . . . . . . 18372 1 9 DHN . 1 1 13 13 GLU H H 1 . . 1 1 13 13 GLU N N 15 . 11.778 . . 2.500 1.000 . . . . . . . . . . 18372 1 10 DHN . 1 1 14 14 LEU H H 1 . . 1 1 14 14 LEU N N 15 . 10.457 . . 2.500 1.000 . . . . . . . . . . 18372 1 11 DHN . 1 1 18 18 ILE H H 1 . . 1 1 18 18 ILE N N 15 . 14.738 . . 2.500 1.000 . . . . . . . . . . 18372 1 12 DHN . 1 1 19 19 LYS H H 1 . . 1 1 19 19 LYS N N 15 . 16.812 . . 2.500 1.000 . . . . . . . . . . 18372 1 13 DHN . 1 1 20 20 LYS H H 1 . . 1 1 20 20 LYS N N 15 . 12.627 . . 2.500 1.000 . . . . . . . . . . 18372 1 14 DHN . 1 1 21 21 GLU H H 1 . . 1 1 21 21 GLU N N 15 . 12.472 . . 2.500 1.000 . . . . . . . . . . 18372 1 15 DHN . 1 1 22 22 VAL H H 1 . . 1 1 22 22 VAL N N 15 . 16.400 . . 2.500 1.000 . . . . . . . . . . 18372 1 16 DHN . 1 1 23 23 GLU H H 1 . . 1 1 23 23 GLU N N 15 . 9.742 . . 2.500 1.000 . . . . . . . . . . 18372 1 17 DHN . 1 1 24 24 ASN H H 1 . . 1 1 24 24 ASN N N 15 . 9.606 . . 2.500 1.000 . . . . . . . . . . 18372 1 18 DHN . 1 1 25 25 GLN H H 1 . . 1 1 25 25 GLN N N 15 . 12.271 . . 2.500 1.000 . . . . . . . . . . 18372 1 19 DHN . 1 1 26 26 GLY H H 1 . . 1 1 26 26 GLY N N 15 . 1.768 . . 2.500 1.000 . . . . . . . . . . 18372 1 20 DHN . 1 1 27 27 TYR H H 1 . . 1 1 27 27 TYR N N 15 . -7.535 . . 2.500 1.000 . . . . . . . . . . 18372 1 21 DHN . 1 1 28 28 GLN H H 1 . . 1 1 28 28 GLN N N 15 . -3.237 . . 2.500 1.000 . . . . . . . . . . 18372 1 22 DHN . 1 1 29 29 VAL H H 1 . . 1 1 29 29 VAL N N 15 . -2.911 . . 2.500 1.000 . . . . . . . . . . 18372 1 23 DHN . 1 1 30 30 ARG H H 1 . . 1 1 30 30 ARG N N 15 . 1.544 . . 2.500 1.000 . . . . . . . . . . 18372 1 24 DHN . 1 1 31 31 ASP H H 1 . . 1 1 31 31 ASP N N 15 . 0.136 . . 2.500 1.000 . . . . . . . . . . 18372 1 25 DHN . 1 1 33 33 ASN H H 1 . . 1 1 33 33 ASN N N 15 . 1.566 . . 2.500 1.000 . . . . . . . . . . 18372 1 26 DHN . 1 1 34 34 ASP H H 1 . . 1 1 34 34 ASP N N 15 . 15.490 . . 2.500 1.000 . . . . . . . . . . 18372 1 27 DHN . 1 1 35 35 SER H H 1 . . 1 1 35 35 SER N N 15 . 14.981 . . 2.500 1.000 . . . . . . . . . . 18372 1 28 DHN . 1 1 36 36 ASP H H 1 . . 1 1 36 36 ASP N N 15 . 2.910 . . 2.500 1.000 . . . . . . . . . . 18372 1 29 DHN . 1 1 37 37 GLU H H 1 . . 1 1 37 37 GLU N N 15 . 9.387 . . 2.500 1.000 . . . . . . . . . . 18372 1 30 DHN . 1 1 38 38 LEU H H 1 . . 1 1 38 38 LEU N N 15 . 14.407 . . 2.500 1.000 . . . . . . . . . . 18372 1 31 DHN . 1 1 39 39 LYS H H 1 . . 1 1 39 39 LYS N N 15 . 13.238 . . 2.500 1.000 . . . . . . . . . . 18372 1 32 DHN . 1 1 41 41 GLU H H 1 . . 1 1 41 41 GLU N N 15 . 15.204 . . 2.500 1.000 . . . . . . . . . . 18372 1 33 DHN . 1 1 42 42 MET H H 1 . . 1 1 42 42 MET N N 15 . 16.110 . . 2.500 1.000 . . . . . . . . . . 18372 1 34 DHN . 1 1 43 43 LYS H H 1 . . 1 1 43 43 LYS N N 15 . 11.570 . . 2.500 1.000 . . . . . . . . . . 18372 1 35 DHN . 1 1 44 44 LYS H H 1 . . 1 1 44 44 LYS N N 15 . 12.951 . . 2.500 1.000 . . . . . . . . . . 18372 1 36 DHN . 1 1 45 45 LEU H H 1 . . 1 1 45 45 LEU N N 15 . 16.662 . . 2.500 1.000 . . . . . . . . . . 18372 1 37 DHN . 1 1 46 46 ALA H H 1 . . 1 1 46 46 ALA N N 15 . 6.075 . . 2.500 1.000 . . . . . . . . . . 18372 1 38 DHN . 1 1 47 47 GLU H H 1 . . 1 1 47 47 GLU N N 15 . 7.127 . . 2.500 1.000 . . . . . . . . . . 18372 1 39 DHN . 1 1 48 48 GLU H H 1 . . 1 1 48 48 GLU N N 15 . 8.107 . . 2.500 1.000 . . . . . . . . . . 18372 1 40 DHN . 1 1 51 51 PHE H H 1 . . 1 1 51 51 PHE N N 15 . 7.203 . . 2.500 1.000 . . . . . . . . . . 18372 1 41 DHN . 1 1 53 53 LYS H H 1 . . 1 1 53 53 LYS N N 15 . 2.072 . . 2.500 1.000 . . . . . . . . . . 18372 1 42 DHN . 1 1 55 55 LEU H H 1 . . 1 1 55 55 LEU N N 15 . 1.771 . . 2.500 1.000 . . . . . . . . . . 18372 1 43 DHN . 1 1 56 56 ILE H H 1 . . 1 1 56 56 ILE N N 15 . 0.717 . . 2.500 1.000 . . . . . . . . . . 18372 1 44 DHN . 1 1 57 57 ILE H H 1 . . 1 1 57 57 ILE N N 15 . 0.241 . . 2.500 1.000 . . . . . . . . . . 18372 1 45 DHN . 1 1 58 58 SER H H 1 . . 1 1 58 58 SER N N 15 . -4.978 . . 2.500 1.000 . . . . . . . . . . 18372 1 46 DHN . 1 1 59 59 ASN H H 1 . . 1 1 59 59 ASN N N 15 . -4.717 . . 2.500 1.000 . . . . . . . . . . 18372 1 47 DHN . 1 1 62 62 GLN H H 1 . . 1 1 62 62 GLN N N 15 . 2.653 . . 2.500 1.000 . . . . . . . . . . 18372 1 48 DHN . 1 1 63 63 LEU H H 1 . . 1 1 63 63 LEU N N 15 . -6.195 . . 2.500 1.000 . . . . . . . . . . 18372 1 49 DHN . 1 1 65 65 LYS H H 1 . . 1 1 65 65 LYS N N 15 . 12.584 . . 2.500 1.000 . . . . . . . . . . 18372 1 50 DHN . 1 1 66 66 GLU H H 1 . . 1 1 66 66 GLU N N 15 . 8.290 . . 2.500 1.000 . . . . . . . . . . 18372 1 51 DHN . 1 1 67 67 MET H H 1 . . 1 1 67 67 MET N N 15 . 1.664 . . 2.500 1.000 . . . . . . . . . . 18372 1 52 DHN . 1 1 68 68 LEU H H 1 . . 1 1 68 68 LEU N N 15 . 9.737 . . 2.500 1.000 . . . . . . . . . . 18372 1 53 DHN . 1 1 69 69 GLU H H 1 . . 1 1 69 69 GLU N N 15 . 11.382 . . 2.500 1.000 . . . . . . . . . . 18372 1 54 DHN . 1 1 71 71 ILE H H 1 . . 1 1 71 71 ILE N N 15 . 5.974 . . 2.500 1.000 . . . . . . . . . . 18372 1 55 DHN . 1 1 72 72 SER H H 1 . . 1 1 72 72 SER N N 15 . 15.512 . . 2.500 1.000 . . . . . . . . . . 18372 1 56 DHN . 1 1 73 73 LYS H H 1 . . 1 1 73 73 LYS N N 15 . 10.967 . . 2.500 1.000 . . . . . . . . . . 18372 1 57 DHN . 1 1 74 74 LEU H H 1 . . 1 1 74 74 LEU N N 15 . 0.845 . . 2.500 1.000 . . . . . . . . . . 18372 1 58 DHN . 1 1 75 75 GLY H H 1 . . 1 1 75 75 GLY N N 15 . 12.192 . . 2.500 1.000 . . . . . . . . . . 18372 1 59 DHN . 1 1 76 76 TYR H H 1 . . 1 1 76 76 TYR N N 15 . 7.094 . . 2.500 1.000 . . . . . . . . . . 18372 1 60 DHN . 1 1 78 78 VAL H H 1 . . 1 1 78 78 VAL N N 15 . -2.689 . . 2.500 1.000 . . . . . . . . . . 18372 1 61 DHN . 1 1 79 79 PHE H H 1 . . 1 1 79 79 PHE N N 15 . 2.050 . . 2.500 1.000 . . . . . . . . . . 18372 1 62 DHN . 1 1 80 80 LEU H H 1 . . 1 1 80 80 LEU N N 15 . 0.665 . . 2.500 1.000 . . . . . . . . . . 18372 1 63 DHN . 1 1 81 81 LEU H H 1 . . 1 1 81 81 LEU N N 15 . -2.180 . . 2.500 1.000 . . . . . . . . . . 18372 1 64 DHN . 1 1 82 82 LEU H H 1 . . 1 1 82 82 LEU N N 15 . -0.192 . . 2.500 1.000 . . . . . . . . . . 18372 1 65 DHN . 1 1 83 83 GLN H H 1 . . 1 1 83 83 GLN N N 15 . -6.908 . . 2.500 1.000 . . . . . . . . . . 18372 1 66 DHN . 1 1 85 85 GLN H H 1 . . 1 1 85 85 GLN N N 15 . -2.103 . . 2.500 1.000 . . . . . . . . . . 18372 1 67 DHN . 1 1 86 86 ASP H H 1 . . 1 1 86 86 ASP N N 15 . -5.655 . . 2.500 1.000 . . . . . . . . . . 18372 1 68 DHN . 1 1 87 87 GLU H H 1 . . 1 1 87 87 GLU N N 15 . -6.771 . . 2.500 1.000 . . . . . . . . . . 18372 1 69 DHN . 1 1 88 88 ASN H H 1 . . 1 1 88 88 ASN N N 15 . 2.978 . . 2.500 1.000 . . . . . . . . . . 18372 1 70 DHN . 1 1 90 90 LEU H H 1 . . 1 1 90 90 LEU N N 15 . -8.346 . . 2.500 1.000 . . . . . . . . . . 18372 1 71 DHN . 1 1 92 92 GLU H H 1 . . 1 1 92 92 GLU N N 15 . 2.624 . . 2.500 1.000 . . . . . . . . . . 18372 1 72 DHN . 1 1 93 93 PHE H H 1 . . 1 1 93 93 PHE N N 15 . -7.255 . . 2.500 1.000 . . . . . . . . . . 18372 1 73 DHN . 1 1 94 94 LYS H H 1 . . 1 1 94 94 LYS N N 15 . -4.350 . . 2.500 1.000 . . . . . . . . . . 18372 1 74 DHN . 1 1 95 95 ARG H H 1 . . 1 1 95 95 ARG N N 15 . 6.537 . . 2.500 1.000 . . . . . . . . . . 18372 1 75 DHN . 1 1 97 97 ILE H H 1 . . 1 1 97 97 ILE N N 15 . -3.097 . . 2.500 1.000 . . . . . . . . . . 18372 1 76 DHN . 1 1 98 98 GLU H H 1 . . 1 1 98 98 GLU N N 15 . 2.565 . . 2.500 1.000 . . . . . . . . . . 18372 1 77 DHN . 1 1 99 99 SER H H 1 . . 1 1 99 99 SER N N 15 . 9.902 . . 2.500 1.000 . . . . . . . . . . 18372 1 78 DHN . 1 1 100 100 GLN H H 1 . . 1 1 100 100 GLN N N 15 . -4.696 . . 2.500 1.000 . . . . . . . . . . 18372 1 79 DHN . 1 1 101 101 GLY H H 1 . . 1 1 101 101 GLY N N 15 . 1.225 . . 2.500 1.000 . . . . . . . . . . 18372 1 80 DHN . 1 1 102 102 TYR H H 1 . . 1 1 102 102 TYR N N 15 . 12.798 . . 2.500 1.000 . . . . . . . . . . 18372 1 81 DHN . 1 1 103 103 GLU H H 1 . . 1 1 103 103 GLU N N 15 . 3.832 . . 2.500 1.000 . . . . . . . . . . 18372 1 82 DHN . 1 1 104 104 VAL H H 1 . . 1 1 104 104 VAL N N 15 . 0.739 . . 2.500 1.000 . . . . . . . . . . 18372 1 83 DHN . 1 1 106 106 LYS H H 1 . . 1 1 106 106 LYS N N 15 . 0.340 . . 2.500 1.000 . . . . . . . . . . 18372 1 84 DHN . 1 1 107 107 VAL H H 1 . . 1 1 107 107 VAL N N 15 . -2.275 . . 2.500 1.000 . . . . . . . . . . 18372 1 85 DHN . 1 1 108 108 THR H H 1 . . 1 1 108 108 THR N N 15 . 2.823 . . 2.500 1.000 . . . . . . . . . . 18372 1 86 DHN . 1 1 109 109 ASP H H 1 . . 1 1 109 109 ASP N N 15 . 4.454 . . 2.500 1.000 . . . . . . . . . . 18372 1 87 DHN . 1 1 110 110 ASP H H 1 . . 1 1 110 110 ASP N N 15 . 4.192 . . 2.500 1.000 . . . . . . . . . . 18372 1 88 DHN . 1 1 111 111 GLU H H 1 . . 1 1 111 111 GLU N N 15 . 3.630 . . 2.500 1.000 . . . . . . . . . . 18372 1 89 DHN . 1 1 114 114 LEU H H 1 . . 1 1 114 114 LEU N N 15 . -0.086 . . 2.500 1.000 . . . . . . . . . . 18372 1 90 DHN . 1 1 117 117 VAL H H 1 . . 1 1 117 117 VAL N N 15 . 5.025 . . 2.500 1.000 . . . . . . . . . . 18372 1 91 DHN . 1 1 118 118 ARG H H 1 . . 1 1 118 118 ARG N N 15 . 2.232 . . 2.500 1.000 . . . . . . . . . . 18372 1 92 DHN . 1 1 119 119 GLU H H 1 . . 1 1 119 119 GLU N N 15 . 8.386 . . 2.500 1.000 . . . . . . . . . . 18372 1 93 DHN . 1 1 120 120 PHE H H 1 . . 1 1 120 120 PHE N N 15 . 10.560 . . 2.500 1.000 . . . . . . . . . . 18372 1 94 DHN . 1 1 121 121 MET H H 1 . . 1 1 121 121 MET N N 15 . -0.358 . . 2.500 1.000 . . . . . . . . . . 18372 1 95 DHN . 1 1 122 122 GLN H H 1 . . 1 1 122 122 GLN N N 15 . 8.403 . . 2.500 1.000 . . . . . . . . . . 18372 1 96 DHN . 1 1 123 123 LYS H H 1 . . 1 1 123 123 LYS N N 15 . 8.957 . . 2.500 1.000 . . . . . . . . . . 18372 1 97 DHN . 1 1 125 125 GLY H H 1 . . 1 1 125 125 GLY N N 15 . 0.143 . . 2.500 1.000 . . . . . . . . . . 18372 1 98 DHN . 1 1 127 127 LEU H H 1 . . 1 1 127 127 LEU N N 15 . 0.067 . . 2.500 1.000 . . . . . . . . . . 18372 1 99 DHN . 1 1 128 128 GLU H H 1 . . 1 1 128 128 GLU N N 15 . -1.605 . . 2.500 1.000 . . . . . . . . . . 18372 1 100 DHN . 1 1 130 130 HIS H H 1 . . 1 1 130 130 HIS N N 15 . -0.934 . . 2.500 1.000 . . . . . . . . . . 18372 1 stop_ save_