data_18390 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18390 _Entry.Title ; Chemical Shift Assignment and Solution Structure of ChR145 from Drosophila melanogaster. Northeast Structural Genomics Consortium Target Fr822A ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-04-11 _Entry.Accession_date 2012-04-11 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details ; The oligomeric states of the Fr822A were verified by correlation time measurements and concentration dependent studies. The results indicated that the Fr822A self-associates weakly at protein concentration below 1 mM. Using the residual dipolar couplings as well as chemical shift perturbations on dilution, we constructed dimeric models for Fr822A. Possible inter-subunit NOEs were identified based on these models. In cases where corresponding NOEs were ambiguous with intra-molecular NOEs, they were eliminated as constraints and the protein structure recalculated. The absence of structural variation and the failure to observed other predicted inter-subunit NOEs validated use of all NOEs as intra-subunit constraints. ; _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 Hsiau-Wei Lee . . . 18390 2 Dan Lee . . . 18390 3 Eitan Kohan . . . 18390 4 Haleema Janjua . . . 18390 5 Rong Xiao . . . 18390 6 Thomas Acton . . . 18390 7 John Everett . K. . 18390 8 Gaetano Montelione . . . 18390 9 James Prestegard . H. . 18390 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, Protein Structure Initiative' 'Northeast Structural Genomics Consortium' . 18390 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Epigenetics . 18390 Fr822A . 18390 'Lid Complex' . 18390 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18390 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 321 18390 '15N chemical shifts' 78 18390 '1H chemical shifts' 494 18390 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2012-06-30 2012-04-11 update BMRB 'update entry citation' 18390 1 . . 2012-05-15 2012-04-11 original author 'original release' 18390 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LRQ 'BMRB Entry Tracking System' 18390 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18390 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution Structure of Fr822A from Drosophila melanogaster.' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Hsiau-Wei Lee . . . 18390 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18390 _Assembly.ID 1 _Assembly.Name Fr822A _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 Fr822A 1 $Fr822A A . yes native no no . . . 18390 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Fr822A _Entity.Sf_category entity _Entity.Sf_framecode Fr822A _Entity.Entry_ID 18390 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Fr822A _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 ; MNYSTGTDANTLFVDGERVL CFHGPLIYEAKVLKTKPDAT PVEYYIHYAGWSKNWDEWVP ENRVLKYNDDNVKRRQELAR QCGERMNYSTGTDANTLFVD GERVLCFHGPLIYEAKVLKT KPDATPVEYYIHYAGWSKNW DEWVPENRVLKYNDDNVKRR QELARQCGER ; _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 170 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 20032.592 _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 PDB 2LRQ . "Chemical Shift Assignment And Solution Structure Of Fr822a From Drosophila Melanogaster. Northeast Structural Genomics Consorti" . . . . . 50.00 85 100.00 100.00 3.25e-55 . . . . 18390 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 . 18390 1 2 . ASN . 18390 1 3 . TYR . 18390 1 4 . SER . 18390 1 5 . THR . 18390 1 6 . GLY . 18390 1 7 . THR . 18390 1 8 . ASP . 18390 1 9 . ALA . 18390 1 10 . ASN . 18390 1 11 . THR . 18390 1 12 . LEU . 18390 1 13 . PHE . 18390 1 14 . VAL . 18390 1 15 . ASP . 18390 1 16 . GLY . 18390 1 17 . GLU . 18390 1 18 . ARG . 18390 1 19 . VAL . 18390 1 20 . LEU . 18390 1 21 . CYS . 18390 1 22 . PHE . 18390 1 23 . HIS . 18390 1 24 . GLY . 18390 1 25 . PRO . 18390 1 26 . LEU . 18390 1 27 . ILE . 18390 1 28 . TYR . 18390 1 29 . GLU . 18390 1 30 . ALA . 18390 1 31 . LYS . 18390 1 32 . VAL . 18390 1 33 . LEU . 18390 1 34 . LYS . 18390 1 35 . THR . 18390 1 36 . LYS . 18390 1 37 . PRO . 18390 1 38 . ASP . 18390 1 39 . ALA . 18390 1 40 . THR . 18390 1 41 . PRO . 18390 1 42 . VAL . 18390 1 43 . GLU . 18390 1 44 . TYR . 18390 1 45 . TYR . 18390 1 46 . ILE . 18390 1 47 . HIS . 18390 1 48 . TYR . 18390 1 49 . ALA . 18390 1 50 . GLY . 18390 1 51 . TRP . 18390 1 52 . SER . 18390 1 53 . LYS . 18390 1 54 . ASN . 18390 1 55 . TRP . 18390 1 56 . ASP . 18390 1 57 . GLU . 18390 1 58 . TRP . 18390 1 59 . VAL . 18390 1 60 . PRO . 18390 1 61 . GLU . 18390 1 62 . ASN . 18390 1 63 . ARG . 18390 1 64 . VAL . 18390 1 65 . LEU . 18390 1 66 . LYS . 18390 1 67 . TYR . 18390 1 68 . ASN . 18390 1 69 . ASP . 18390 1 70 . ASP . 18390 1 71 . ASN . 18390 1 72 . VAL . 18390 1 73 . LYS . 18390 1 74 . ARG . 18390 1 75 . ARG . 18390 1 76 . GLN . 18390 1 77 . GLU . 18390 1 78 . LEU . 18390 1 79 . ALA . 18390 1 80 . ARG . 18390 1 81 . GLN . 18390 1 82 . CYS . 18390 1 83 . GLY . 18390 1 84 . GLU . 18390 1 85 . ARG . 18390 1 86 . MET . 18390 1 87 . ASN . 18390 1 88 . TYR . 18390 1 89 . SER . 18390 1 90 . THR . 18390 1 91 . GLY . 18390 1 92 . THR . 18390 1 93 . ASP . 18390 1 94 . ALA . 18390 1 95 . ASN . 18390 1 96 . THR . 18390 1 97 . LEU . 18390 1 98 . PHE . 18390 1 99 . VAL . 18390 1 100 . ASP . 18390 1 101 . GLY . 18390 1 102 . GLU . 18390 1 103 . ARG . 18390 1 104 . VAL . 18390 1 105 . LEU . 18390 1 106 . CYS . 18390 1 107 . PHE . 18390 1 108 . HIS . 18390 1 109 . GLY . 18390 1 110 . PRO . 18390 1 111 . LEU . 18390 1 112 . ILE . 18390 1 113 . TYR . 18390 1 114 . GLU . 18390 1 115 . ALA . 18390 1 116 . LYS . 18390 1 117 . VAL . 18390 1 118 . LEU . 18390 1 119 . LYS . 18390 1 120 . THR . 18390 1 121 . LYS . 18390 1 122 . PRO . 18390 1 123 . ASP . 18390 1 124 . ALA . 18390 1 125 . THR . 18390 1 126 . PRO . 18390 1 127 . VAL . 18390 1 128 . GLU . 18390 1 129 . TYR . 18390 1 130 . TYR . 18390 1 131 . ILE . 18390 1 132 . HIS . 18390 1 133 . TYR . 18390 1 134 . ALA . 18390 1 135 . GLY . 18390 1 136 . TRP . 18390 1 137 . SER . 18390 1 138 . LYS . 18390 1 139 . ASN . 18390 1 140 . TRP . 18390 1 141 . ASP . 18390 1 142 . GLU . 18390 1 143 . TRP . 18390 1 144 . VAL . 18390 1 145 . PRO . 18390 1 146 . GLU . 18390 1 147 . ASN . 18390 1 148 . ARG . 18390 1 149 . VAL . 18390 1 150 . LEU . 18390 1 151 . LYS . 18390 1 152 . TYR . 18390 1 153 . ASN . 18390 1 154 . ASP . 18390 1 155 . ASP . 18390 1 156 . ASN . 18390 1 157 . VAL . 18390 1 158 . LYS . 18390 1 159 . ARG . 18390 1 160 . ARG . 18390 1 161 . GLN . 18390 1 162 . GLU . 18390 1 163 . LEU . 18390 1 164 . ALA . 18390 1 165 . ARG . 18390 1 166 . GLN . 18390 1 167 . CYS . 18390 1 168 . GLY . 18390 1 169 . GLU . 18390 1 170 . ARG . 18390 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 18390 1 . ASN 2 2 18390 1 . TYR 3 3 18390 1 . SER 4 4 18390 1 . THR 5 5 18390 1 . GLY 6 6 18390 1 . THR 7 7 18390 1 . ASP 8 8 18390 1 . ALA 9 9 18390 1 . ASN 10 10 18390 1 . THR 11 11 18390 1 . LEU 12 12 18390 1 . PHE 13 13 18390 1 . VAL 14 14 18390 1 . ASP 15 15 18390 1 . GLY 16 16 18390 1 . GLU 17 17 18390 1 . ARG 18 18 18390 1 . VAL 19 19 18390 1 . LEU 20 20 18390 1 . CYS 21 21 18390 1 . PHE 22 22 18390 1 . HIS 23 23 18390 1 . GLY 24 24 18390 1 . PRO 25 25 18390 1 . LEU 26 26 18390 1 . ILE 27 27 18390 1 . TYR 28 28 18390 1 . GLU 29 29 18390 1 . ALA 30 30 18390 1 . LYS 31 31 18390 1 . VAL 32 32 18390 1 . LEU 33 33 18390 1 . LYS 34 34 18390 1 . THR 35 35 18390 1 . LYS 36 36 18390 1 . PRO 37 37 18390 1 . ASP 38 38 18390 1 . ALA 39 39 18390 1 . THR 40 40 18390 1 . PRO 41 41 18390 1 . VAL 42 42 18390 1 . GLU 43 43 18390 1 . TYR 44 44 18390 1 . TYR 45 45 18390 1 . ILE 46 46 18390 1 . HIS 47 47 18390 1 . TYR 48 48 18390 1 . ALA 49 49 18390 1 . GLY 50 50 18390 1 . TRP 51 51 18390 1 . SER 52 52 18390 1 . LYS 53 53 18390 1 . ASN 54 54 18390 1 . TRP 55 55 18390 1 . ASP 56 56 18390 1 . GLU 57 57 18390 1 . TRP 58 58 18390 1 . VAL 59 59 18390 1 . PRO 60 60 18390 1 . GLU 61 61 18390 1 . ASN 62 62 18390 1 . ARG 63 63 18390 1 . VAL 64 64 18390 1 . LEU 65 65 18390 1 . LYS 66 66 18390 1 . TYR 67 67 18390 1 . ASN 68 68 18390 1 . ASP 69 69 18390 1 . ASP 70 70 18390 1 . ASN 71 71 18390 1 . VAL 72 72 18390 1 . LYS 73 73 18390 1 . ARG 74 74 18390 1 . ARG 75 75 18390 1 . GLN 76 76 18390 1 . GLU 77 77 18390 1 . LEU 78 78 18390 1 . ALA 79 79 18390 1 . ARG 80 80 18390 1 . GLN 81 81 18390 1 . CYS 82 82 18390 1 . GLY 83 83 18390 1 . GLU 84 84 18390 1 . ARG 85 85 18390 1 . MET 86 86 18390 1 . ASN 87 87 18390 1 . TYR 88 88 18390 1 . SER 89 89 18390 1 . THR 90 90 18390 1 . GLY 91 91 18390 1 . THR 92 92 18390 1 . ASP 93 93 18390 1 . ALA 94 94 18390 1 . ASN 95 95 18390 1 . THR 96 96 18390 1 . LEU 97 97 18390 1 . PHE 98 98 18390 1 . VAL 99 99 18390 1 . ASP 100 100 18390 1 . GLY 101 101 18390 1 . GLU 102 102 18390 1 . ARG 103 103 18390 1 . VAL 104 104 18390 1 . LEU 105 105 18390 1 . CYS 106 106 18390 1 . PHE 107 107 18390 1 . HIS 108 108 18390 1 . GLY 109 109 18390 1 . PRO 110 110 18390 1 . LEU 111 111 18390 1 . ILE 112 112 18390 1 . TYR 113 113 18390 1 . GLU 114 114 18390 1 . ALA 115 115 18390 1 . LYS 116 116 18390 1 . VAL 117 117 18390 1 . LEU 118 118 18390 1 . LYS 119 119 18390 1 . THR 120 120 18390 1 . LYS 121 121 18390 1 . PRO 122 122 18390 1 . ASP 123 123 18390 1 . ALA 124 124 18390 1 . THR 125 125 18390 1 . PRO 126 126 18390 1 . VAL 127 127 18390 1 . GLU 128 128 18390 1 . TYR 129 129 18390 1 . TYR 130 130 18390 1 . ILE 131 131 18390 1 . HIS 132 132 18390 1 . TYR 133 133 18390 1 . ALA 134 134 18390 1 . GLY 135 135 18390 1 . TRP 136 136 18390 1 . SER 137 137 18390 1 . LYS 138 138 18390 1 . ASN 139 139 18390 1 . TRP 140 140 18390 1 . ASP 141 141 18390 1 . GLU 142 142 18390 1 . TRP 143 143 18390 1 . VAL 144 144 18390 1 . PRO 145 145 18390 1 . GLU 146 146 18390 1 . ASN 147 147 18390 1 . ARG 148 148 18390 1 . VAL 149 149 18390 1 . LEU 150 150 18390 1 . LYS 151 151 18390 1 . TYR 152 152 18390 1 . ASN 153 153 18390 1 . ASP 154 154 18390 1 . ASP 155 155 18390 1 . ASN 156 156 18390 1 . VAL 157 157 18390 1 . LYS 158 158 18390 1 . ARG 159 159 18390 1 . ARG 160 160 18390 1 . GLN 161 161 18390 1 . GLU 162 162 18390 1 . LEU 163 163 18390 1 . ALA 164 164 18390 1 . ARG 165 165 18390 1 . GLN 166 166 18390 1 . CYS 167 167 18390 1 . GLY 168 168 18390 1 . GLU 169 169 18390 1 . ARG 170 170 18390 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 18390 _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 $Fr822A . 7227 organism . 'Drosophila melanogaster' 'fruit fly' . . Eukaryota Metazoa Drosophila melanogaster . . . . . . . . . . . . . . . . . . . . . 18390 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 18390 _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 $Fr822A . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET15Nano6HT_NESG . . . . . . 18390 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_NC_Sample _Sample.Sf_category sample _Sample.Sf_framecode NC_Sample _Sample.Entry_ID 18390 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Fr822A '[U-100% 13C; U-100% 15N]' . . 1 $Fr822A . . 0.9 . . mM . . . . 18390 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18390 1 3 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 18390 1 4 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 18390 1 stop_ save_ save_Phage _Sample.Sf_category sample _Sample.Sf_framecode Phage _Sample.Entry_ID 18390 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Phage sample for RDC' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Fr822A '[U-100% 15N]' . . 1 $Fr822A . . 0.9 . . mM . . . . 18390 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18390 2 3 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 18390 2 4 'Pf1 phage' 'natural abundance' . . . . . . 12 . . mg . . . . 18390 2 5 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 18390 2 stop_ save_ save_C12E5 _Sample.Sf_category sample _Sample.Sf_framecode C12E5 _Sample.Entry_ID 18390 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'C12E5 sample for RDC' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Fr822A '[U-100% 15N]' . . 1 $Fr822A . . 0.9 . . mM . . . . 18390 3 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18390 3 3 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 18390 3 4 C12E5 'natural abundance' . . . . . . 4.2 . . % . . . . 18390 3 5 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 18390 3 stop_ save_ ####################### # Sample conditions # ####################### save_Fr822A-NMR _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Fr822A-NMR _Sample_condition_list.Entry_ID 18390 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 200 . mM 18390 1 pH 7.0 . pH 18390 1 pressure 1 . atm 18390 1 temperature 298 . K 18390 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18390 _Software.ID 1 _Software.Name SPARKY _Software.Version 3.14 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18390 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18390 1 'data analysis' 18390 1 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 18390 _Software.ID 2 _Software.Name VNMRJ _Software.Version 2.1B _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 18390 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18390 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18390 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18390 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18390 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18390 _Software.ID 4 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18390 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18390 4 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 18390 _Software.ID 5 _Software.Name 'X-PLOR NIH' _Software.Version 2.18 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 18390 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18390 5 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 18390 _Software.ID 6 _Software.Name PSVS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya and Montelione' . . 18390 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18390 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Varian_600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Varian_600 _NMR_spectrometer.Entry_ID 18390 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Equipped with cold probe' _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 18390 _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 Varian_600 Varian INOVA . 600 'Equipped with cold probe' . . 18390 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 18390 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $NC_Sample isotropic . . 1 $Fr822A-NMR . . . 1 $Varian_600 . . . . . . . . . . . . . . . . 18390 1 2 '2D 1H-13C HSQC aliphatic' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $NC_Sample isotropic . . 1 $Fr822A-NMR . . . 1 $Varian_600 . . . . . . . . . . . . . . . . 18390 1 3 '2D 1H-13C HSQC aromatic' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $NC_Sample isotropic . . 1 $Fr822A-NMR . . . 1 $Varian_600 . . . . . . . . . . . . . . . . 18390 1 4 '3D CBCA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $NC_Sample isotropic . . 1 $Fr822A-NMR . . . 1 $Varian_600 . . . . . . . . . . . . . . . . 18390 1 5 '3D C(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $NC_Sample isotropic . . 1 $Fr822A-NMR . . . 1 $Varian_600 . . . . . . . . . . . . . . . . 18390 1 6 '3D HNCO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $NC_Sample isotropic . . 1 $Fr822A-NMR . . . 1 $Varian_600 . . . . . . . . . . . . . . . . 18390 1 7 '3D HNCA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $NC_Sample isotropic . . 1 $Fr822A-NMR . . . 1 $Varian_600 . . . . . . . . . . . . . . . . 18390 1 8 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $NC_Sample isotropic . . 1 $Fr822A-NMR . . . 1 $Varian_600 . . . . . . . . . . . . . . . . 18390 1 9 '3D HBHA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $NC_Sample isotropic . . 1 $Fr822A-NMR . . . 1 $Varian_600 . . . . . . . . . . . . . . . . 18390 1 10 '3D HCCH-TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $NC_Sample isotropic . . 1 $Fr822A-NMR . . . 1 $Varian_600 . . . . . . . . . . . . . . . . 18390 1 11 '3D 1H-15N NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $NC_Sample isotropic . . 1 $Fr822A-NMR . . . 1 $Varian_600 . . . . . . . . . . . . . . . . 18390 1 12 '3D 1H-13C NOESY aliphatic' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $NC_Sample isotropic . . 1 $Fr822A-NMR . . . 1 $Varian_600 . . . . . . . . . . . . . . . . 18390 1 13 '3D 1H-13C NOESY aromatic' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $NC_Sample isotropic . . 1 $Fr822A-NMR . . . 1 $Varian_600 . . . . . . . . . . . . . . . . 18390 1 14 '2D 1H-15N NH-J-Modulation-HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $NC_Sample isotropic . . 1 $Fr822A-NMR . . . 1 $Varian_600 . . . . . . . . . . . . . . . . 18390 1 15 '2D 1H-15N NH-J-Modulation-HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $Phage anisotropic . . 1 $Fr822A-NMR . . . 1 $Varian_600 . . . . . . . . . . . . . . . . 18390 1 16 '2D 1H-15N NH-J-Modulation-HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 3 $C12E5 anisotropic . . 1 $Fr822A-NMR . . . 1 $Varian_600 . . . . . . . . . . . . . . . . 18390 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 18390 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _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 $Varian_600 _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 . 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 18390 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18390 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18390 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18390 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 18390 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Fr822A-NMR _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' . . . 18390 1 2 '2D 1H-13C HSQC aliphatic' . . . 18390 1 3 '2D 1H-13C HSQC aromatic' . . . 18390 1 4 '3D CBCA(CO)NH' . . . 18390 1 5 '3D C(CO)NH' . . . 18390 1 6 '3D HNCO' . . . 18390 1 7 '3D HNCA' . . . 18390 1 8 '3D HNCACB' . . . 18390 1 9 '3D HBHA(CO)NH' . . . 18390 1 10 '3D HCCH-TOCSY' . . . 18390 1 11 '3D 1H-15N NOESY' . . . 18390 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 4.355 0.034 . 1 . . . A 1 MET HA . 18390 1 2 . 1 1 1 1 MET HB2 H 1 2.365 0.034 . 2 . . . A 1 MET HB2 . 18390 1 3 . 1 1 1 1 MET HB3 H 1 2.365 0.034 . 2 . . . A 1 MET HB3 . 18390 1 4 . 1 1 1 1 MET H H 1 8.302 0.034 . 1 . . . A 1 MET H1 . 18390 1 5 . 1 1 1 1 MET C C 13 176.559 0.100 . 1 . . . A 1 MET C . 18390 1 6 . 1 1 1 1 MET CA C 13 55.344 0.035 . 1 . . . A 1 MET CA . 18390 1 7 . 1 1 1 1 MET CB C 13 39.480 0.035 . 1 . . . A 1 MET CB . 18390 1 8 . 1 1 1 1 MET N N 15 121.584 0.014 . 1 . . . A 1 MET N . 18390 1 9 . 1 1 2 2 ASN H H 1 8.437 0.003 . 1 . . . A 2 ASN H . 18390 1 10 . 1 1 2 2 ASN HB2 H 1 2.712 0.034 . 2 . . . A 2 ASN HB2 . 18390 1 11 . 1 1 2 2 ASN HB3 H 1 2.712 0.034 . 2 . . . A 2 ASN HB3 . 18390 1 12 . 1 1 2 2 ASN C C 13 175.868 0.100 . 1 . . . A 2 ASN C . 18390 1 13 . 1 1 2 2 ASN CA C 13 53.057 0.035 . 1 . . . A 2 ASN CA . 18390 1 14 . 1 1 2 2 ASN CB C 13 39.102 0.035 . 1 . . . A 2 ASN CB . 18390 1 15 . 1 1 2 2 ASN N N 15 120.125 0.023 . 1 . . . A 2 ASN N . 18390 1 16 . 1 1 3 3 TYR H H 1 8.139 0.003 . 1 . . . A 3 TYR H . 18390 1 17 . 1 1 3 3 TYR HA H 1 4.584 0.007 . 1 . . . A 3 TYR HA . 18390 1 18 . 1 1 3 3 TYR HB2 H 1 2.916 0.003 . 2 . . . A 3 TYR HB2 . 18390 1 19 . 1 1 3 3 TYR HB3 H 1 3.088 0.005 . 2 . . . A 3 TYR HB3 . 18390 1 20 . 1 1 3 3 TYR C C 13 176.950 0.100 . 1 . . . A 3 TYR C . 18390 1 21 . 1 1 3 3 TYR CA C 13 58.017 0.128 . 1 . . . A 3 TYR CA . 18390 1 22 . 1 1 3 3 TYR CB C 13 39.087 0.080 . 1 . . . A 3 TYR CB . 18390 1 23 . 1 1 3 3 TYR N N 15 120.873 0.016 . 1 . . . A 3 TYR N . 18390 1 24 . 1 1 4 4 SER H H 1 8.298 0.004 . 1 . . . A 4 SER H . 18390 1 25 . 1 1 4 4 SER HA H 1 4.515 0.034 . 1 . . . A 4 SER HA . 18390 1 26 . 1 1 4 4 SER HB2 H 1 3.847 0.003 . 2 . . . A 4 SER HB2 . 18390 1 27 . 1 1 4 4 SER HB3 H 1 3.847 0.003 . 2 . . . A 4 SER HB3 . 18390 1 28 . 1 1 4 4 SER C C 13 175.812 0.100 . 1 . . . A 4 SER C . 18390 1 29 . 1 1 4 4 SER CA C 13 58.305 0.035 . 1 . . . A 4 SER CA . 18390 1 30 . 1 1 4 4 SER CB C 13 64.336 0.102 . 1 . . . A 4 SER CB . 18390 1 31 . 1 1 4 4 SER N N 15 117.320 0.043 . 1 . . . A 4 SER N . 18390 1 32 . 1 1 5 5 THR H H 1 8.213 0.003 . 1 . . . A 5 THR H . 18390 1 33 . 1 1 5 5 THR HA H 1 4.379 0.034 . 1 . . . A 5 THR HA . 18390 1 34 . 1 1 5 5 THR HB H 1 4.298 0.003 . 1 . . . A 5 THR HB . 18390 1 35 . 1 1 5 5 THR HG21 H 1 1.214 0.004 . 1 . . . A 5 THR HG21 . 18390 1 36 . 1 1 5 5 THR HG22 H 1 1.214 0.004 . 1 . . . A 5 THR HG22 . 18390 1 37 . 1 1 5 5 THR HG23 H 1 1.214 0.004 . 1 . . . A 5 THR HG23 . 18390 1 38 . 1 1 5 5 THR C C 13 176.355 0.100 . 1 . . . A 5 THR C . 18390 1 39 . 1 1 5 5 THR CA C 13 62.094 0.010 . 1 . . . A 5 THR CA . 18390 1 40 . 1 1 5 5 THR CB C 13 70.114 0.113 . 1 . . . A 5 THR CB . 18390 1 41 . 1 1 5 5 THR CG2 C 13 21.745 0.064 . 1 . . . A 5 THR CG2 . 18390 1 42 . 1 1 5 5 THR N N 15 115.184 0.015 . 1 . . . A 5 THR N . 18390 1 43 . 1 1 6 6 GLY H H 1 8.410 0.003 . 1 . . . A 6 GLY H . 18390 1 44 . 1 1 6 6 GLY HA2 H 1 3.996 0.034 . 2 . . . A 6 GLY HA2 . 18390 1 45 . 1 1 6 6 GLY HA3 H 1 3.996 0.034 . 2 . . . A 6 GLY HA3 . 18390 1 46 . 1 1 6 6 GLY C C 13 175.537 0.100 . 1 . . . A 6 GLY C . 18390 1 47 . 1 1 6 6 GLY CA C 13 45.467 0.035 . 1 . . . A 6 GLY CA . 18390 1 48 . 1 1 6 6 GLY N N 15 111.050 0.019 . 1 . . . A 6 GLY N . 18390 1 49 . 1 1 7 7 THR H H 1 8.080 0.003 . 1 . . . A 7 THR H . 18390 1 50 . 1 1 7 7 THR HA H 1 4.312 0.062 . 1 . . . A 7 THR HA . 18390 1 51 . 1 1 7 7 THR HB H 1 4.252 0.003 . 1 . . . A 7 THR HB . 18390 1 52 . 1 1 7 7 THR HG21 H 1 1.166 0.004 . 1 . . . A 7 THR HG21 . 18390 1 53 . 1 1 7 7 THR HG22 H 1 1.166 0.004 . 1 . . . A 7 THR HG22 . 18390 1 54 . 1 1 7 7 THR HG23 H 1 1.166 0.004 . 1 . . . A 7 THR HG23 . 18390 1 55 . 1 1 7 7 THR C C 13 175.440 0.100 . 1 . . . A 7 THR C . 18390 1 56 . 1 1 7 7 THR CA C 13 61.878 0.011 . 1 . . . A 7 THR CA . 18390 1 57 . 1 1 7 7 THR CB C 13 70.150 0.108 . 1 . . . A 7 THR CB . 18390 1 58 . 1 1 7 7 THR CG2 C 13 21.614 0.046 . 1 . . . A 7 THR CG2 . 18390 1 59 . 1 1 7 7 THR N N 15 113.255 0.058 . 1 . . . A 7 THR N . 18390 1 60 . 1 1 8 8 ASP H H 1 8.369 0.003 . 1 . . . A 8 ASP H . 18390 1 61 . 1 1 8 8 ASP HA H 1 4.599 0.008 . 1 . . . A 8 ASP HA . 18390 1 62 . 1 1 8 8 ASP HB2 H 1 2.613 0.034 . 2 . . . A 8 ASP HB2 . 18390 1 63 . 1 1 8 8 ASP HB3 H 1 2.689 0.001 . 2 . . . A 8 ASP HB3 . 18390 1 64 . 1 1 8 8 ASP C C 13 176.828 0.100 . 1 . . . A 8 ASP C . 18390 1 65 . 1 1 8 8 ASP CA C 13 54.525 0.102 . 1 . . . A 8 ASP CA . 18390 1 66 . 1 1 8 8 ASP CB C 13 41.441 0.016 . 1 . . . A 8 ASP CB . 18390 1 67 . 1 1 8 8 ASP N N 15 122.616 0.014 . 1 . . . A 8 ASP N . 18390 1 68 . 1 1 9 9 ALA H H 1 8.185 0.003 . 1 . . . A 9 ALA H . 18390 1 69 . 1 1 9 9 ALA HA H 1 4.331 0.003 . 1 . . . A 9 ALA HA . 18390 1 70 . 1 1 9 9 ALA HB1 H 1 1.385 0.006 . 1 . . . A 9 ALA HB1 . 18390 1 71 . 1 1 9 9 ALA HB2 H 1 1.385 0.006 . 1 . . . A 9 ALA HB2 . 18390 1 72 . 1 1 9 9 ALA HB3 H 1 1.385 0.006 . 1 . . . A 9 ALA HB3 . 18390 1 73 . 1 1 9 9 ALA C C 13 178.412 0.100 . 1 . . . A 9 ALA C . 18390 1 74 . 1 1 9 9 ALA CA C 13 52.445 0.111 . 1 . . . A 9 ALA CA . 18390 1 75 . 1 1 9 9 ALA CB C 13 19.869 0.018 . 1 . . . A 9 ALA CB . 18390 1 76 . 1 1 9 9 ALA N N 15 123.931 0.015 . 1 . . . A 9 ALA N . 18390 1 77 . 1 1 10 10 ASN H H 1 8.487 0.009 . 1 . . . A 10 ASN H . 18390 1 78 . 1 1 10 10 ASN HA H 1 4.781 0.016 . 1 . . . A 10 ASN HA . 18390 1 79 . 1 1 10 10 ASN HB2 H 1 2.834 0.001 . 2 . . . A 10 ASN HB2 . 18390 1 80 . 1 1 10 10 ASN HB3 H 1 2.834 0.001 . 2 . . . A 10 ASN HB3 . 18390 1 81 . 1 1 10 10 ASN C C 13 176.383 0.100 . 1 . . . A 10 ASN C . 18390 1 82 . 1 1 10 10 ASN CA C 13 53.350 0.121 . 1 . . . A 10 ASN CA . 18390 1 83 . 1 1 10 10 ASN CB C 13 39.319 0.023 . 1 . . . A 10 ASN CB . 18390 1 84 . 1 1 10 10 ASN N N 15 118.378 0.018 . 1 . . . A 10 ASN N . 18390 1 85 . 1 1 11 11 THR H H 1 7.678 0.011 . 1 . . . A 11 THR H . 18390 1 86 . 1 1 11 11 THR HA H 1 4.583 0.002 . 1 . . . A 11 THR HA . 18390 1 87 . 1 1 11 11 THR HB H 1 5.050 0.004 . 1 . . . A 11 THR HB . 18390 1 88 . 1 1 11 11 THR HG21 H 1 1.280 0.005 . 1 . . . A 11 THR HG21 . 18390 1 89 . 1 1 11 11 THR HG22 H 1 1.280 0.005 . 1 . . . A 11 THR HG22 . 18390 1 90 . 1 1 11 11 THR HG23 H 1 1.280 0.005 . 1 . . . A 11 THR HG23 . 18390 1 91 . 1 1 11 11 THR C C 13 175.684 0.100 . 1 . . . A 11 THR C . 18390 1 92 . 1 1 11 11 THR CA C 13 60.530 0.101 . 1 . . . A 11 THR CA . 18390 1 93 . 1 1 11 11 THR CB C 13 70.622 0.085 . 1 . . . A 11 THR CB . 18390 1 94 . 1 1 11 11 THR CG2 C 13 22.703 0.054 . 1 . . . A 11 THR CG2 . 18390 1 95 . 1 1 11 11 THR N N 15 110.937 0.010 . 1 . . . A 11 THR N . 18390 1 96 . 1 1 12 12 LEU H H 1 8.671 0.009 . 1 . . . A 12 LEU H . 18390 1 97 . 1 1 12 12 LEU HA H 1 3.831 0.003 . 1 . . . A 12 LEU HA . 18390 1 98 . 1 1 12 12 LEU HB2 H 1 1.262 0.001 . 2 . . . A 12 LEU HB2 . 18390 1 99 . 1 1 12 12 LEU HB3 H 1 1.402 0.003 . 2 . . . A 12 LEU HB3 . 18390 1 100 . 1 1 12 12 LEU HD11 H 1 0.720 0.010 . 1 . . . A 12 LEU HD11 . 18390 1 101 . 1 1 12 12 LEU HD12 H 1 0.720 0.010 . 1 . . . A 12 LEU HD12 . 18390 1 102 . 1 1 12 12 LEU HD13 H 1 0.720 0.010 . 1 . . . A 12 LEU HD13 . 18390 1 103 . 1 1 12 12 LEU HD21 H 1 0.710 0.007 . 1 . . . A 12 LEU HD21 . 18390 1 104 . 1 1 12 12 LEU HD22 H 1 0.710 0.007 . 1 . . . A 12 LEU HD22 . 18390 1 105 . 1 1 12 12 LEU HD23 H 1 0.710 0.007 . 1 . . . A 12 LEU HD23 . 18390 1 106 . 1 1 12 12 LEU C C 13 177.582 0.100 . 1 . . . A 12 LEU C . 18390 1 107 . 1 1 12 12 LEU CA C 13 57.409 0.126 . 1 . . . A 12 LEU CA . 18390 1 108 . 1 1 12 12 LEU CB C 13 42.819 0.146 . 1 . . . A 12 LEU CB . 18390 1 109 . 1 1 12 12 LEU CD1 C 13 23.353 0.036 . 2 . . . A 12 LEU CD1 . 18390 1 110 . 1 1 12 12 LEU CD2 C 13 25.426 0.078 . 2 . . . A 12 LEU CD2 . 18390 1 111 . 1 1 12 12 LEU N N 15 122.990 0.031 . 1 . . . A 12 LEU N . 18390 1 112 . 1 1 13 13 PHE H H 1 7.488 0.006 . 1 . . . A 13 PHE H . 18390 1 113 . 1 1 13 13 PHE HA H 1 5.100 0.001 . 1 . . . A 13 PHE HA . 18390 1 114 . 1 1 13 13 PHE HB2 H 1 2.098 0.004 . 2 . . . A 13 PHE HB2 . 18390 1 115 . 1 1 13 13 PHE HB3 H 1 2.444 0.004 . 2 . . . A 13 PHE HB3 . 18390 1 116 . 1 1 13 13 PHE HD1 H 1 6.843 0.006 . 3 . . . A 13 PHE HD1 . 18390 1 117 . 1 1 13 13 PHE HD2 H 1 6.843 0.006 . 3 . . . A 13 PHE HD2 . 18390 1 118 . 1 1 13 13 PHE HE1 H 1 6.985 0.003 . 3 . . . A 13 PHE HE1 . 18390 1 119 . 1 1 13 13 PHE HE2 H 1 6.985 0.003 . 3 . . . A 13 PHE HE2 . 18390 1 120 . 1 1 13 13 PHE C C 13 175.816 0.100 . 1 . . . A 13 PHE C . 18390 1 121 . 1 1 13 13 PHE CA C 13 55.102 0.114 . 1 . . . A 13 PHE CA . 18390 1 122 . 1 1 13 13 PHE CB C 13 40.671 0.112 . 1 . . . A 13 PHE CB . 18390 1 123 . 1 1 13 13 PHE CD1 C 13 132.080 0.004 . 3 . . . A 13 PHE CD1 . 18390 1 124 . 1 1 13 13 PHE CE1 C 13 130.968 0.094 . 3 . . . A 13 PHE CE1 . 18390 1 125 . 1 1 13 13 PHE N N 15 114.740 0.021 . 1 . . . A 13 PHE N . 18390 1 126 . 1 1 14 14 VAL H H 1 8.372 0.003 . 1 . . . A 14 VAL H . 18390 1 127 . 1 1 14 14 VAL HA H 1 4.910 0.004 . 1 . . . A 14 VAL HA . 18390 1 128 . 1 1 14 14 VAL HB H 1 2.257 0.005 . 1 . . . A 14 VAL HB . 18390 1 129 . 1 1 14 14 VAL HG11 H 1 0.863 0.008 . 1 . . . A 14 VAL HG11 . 18390 1 130 . 1 1 14 14 VAL HG12 H 1 0.863 0.008 . 1 . . . A 14 VAL HG12 . 18390 1 131 . 1 1 14 14 VAL HG13 H 1 0.863 0.008 . 1 . . . A 14 VAL HG13 . 18390 1 132 . 1 1 14 14 VAL HG21 H 1 0.853 0.005 . 1 . . . A 14 VAL HG21 . 18390 1 133 . 1 1 14 14 VAL HG22 H 1 0.853 0.005 . 1 . . . A 14 VAL HG22 . 18390 1 134 . 1 1 14 14 VAL HG23 H 1 0.853 0.005 . 1 . . . A 14 VAL HG23 . 18390 1 135 . 1 1 14 14 VAL C C 13 176.083 0.100 . 1 . . . A 14 VAL C . 18390 1 136 . 1 1 14 14 VAL CA C 13 58.834 0.060 . 1 . . . A 14 VAL CA . 18390 1 137 . 1 1 14 14 VAL CB C 13 36.149 0.058 . 1 . . . A 14 VAL CB . 18390 1 138 . 1 1 14 14 VAL CG1 C 13 21.626 0.026 . 2 . . . A 14 VAL CG1 . 18390 1 139 . 1 1 14 14 VAL CG2 C 13 18.521 0.042 . 2 . . . A 14 VAL CG2 . 18390 1 140 . 1 1 14 14 VAL N N 15 113.431 0.052 . 1 . . . A 14 VAL N . 18390 1 141 . 1 1 15 15 ASP H H 1 8.068 0.007 . 1 . . . A 15 ASP H . 18390 1 142 . 1 1 15 15 ASP HA H 1 3.941 0.003 . 1 . . . A 15 ASP HA . 18390 1 143 . 1 1 15 15 ASP HB2 H 1 2.474 0.004 . 2 . . . A 15 ASP HB2 . 18390 1 144 . 1 1 15 15 ASP HB3 H 1 2.474 0.004 . 2 . . . A 15 ASP HB3 . 18390 1 145 . 1 1 15 15 ASP C C 13 178.825 0.100 . 1 . . . A 15 ASP C . 18390 1 146 . 1 1 15 15 ASP CA C 13 56.493 0.100 . 1 . . . A 15 ASP CA . 18390 1 147 . 1 1 15 15 ASP CB C 13 40.066 0.075 . 1 . . . A 15 ASP CB . 18390 1 148 . 1 1 15 15 ASP N N 15 120.209 0.026 . 1 . . . A 15 ASP N . 18390 1 149 . 1 1 16 16 GLY H H 1 9.158 0.003 . 1 . . . A 16 GLY H . 18390 1 150 . 1 1 16 16 GLY HA2 H 1 3.576 0.008 . 2 . . . A 16 GLY HA2 . 18390 1 151 . 1 1 16 16 GLY HA3 H 1 4.277 0.003 . 2 . . . A 16 GLY HA3 . 18390 1 152 . 1 1 16 16 GLY C C 13 174.928 0.100 . 1 . . . A 16 GLY C . 18390 1 153 . 1 1 16 16 GLY CA C 13 45.060 0.011 . 1 . . . A 16 GLY CA . 18390 1 154 . 1 1 16 16 GLY N N 15 112.740 0.024 . 1 . . . A 16 GLY N . 18390 1 155 . 1 1 17 17 GLU H H 1 8.234 0.003 . 1 . . . A 17 GLU H . 18390 1 156 . 1 1 17 17 GLU HA H 1 3.995 0.010 . 1 . . . A 17 GLU HA . 18390 1 157 . 1 1 17 17 GLU HG2 H 1 2.350 0.034 . 2 . . . A 17 GLU HG2 . 18390 1 158 . 1 1 17 17 GLU HG3 H 1 2.350 0.034 . 2 . . . A 17 GLU HG3 . 18390 1 159 . 1 1 17 17 GLU C C 13 176.895 0.100 . 1 . . . A 17 GLU C . 18390 1 160 . 1 1 17 17 GLU CA C 13 57.773 0.035 . 1 . . . A 17 GLU CA . 18390 1 161 . 1 1 17 17 GLU CB C 13 31.588 0.035 . 1 . . . A 17 GLU CB . 18390 1 162 . 1 1 17 17 GLU CG C 13 35.648 0.108 . 1 . . . A 17 GLU CG . 18390 1 163 . 1 1 17 17 GLU N N 15 124.150 0.018 . 1 . . . A 17 GLU N . 18390 1 164 . 1 1 18 18 ARG H H 1 8.447 0.011 . 1 . . . A 18 ARG H . 18390 1 165 . 1 1 18 18 ARG HA H 1 4.648 0.011 . 1 . . . A 18 ARG HA . 18390 1 166 . 1 1 18 18 ARG HB2 H 1 1.736 0.017 . 2 . . . A 18 ARG HB2 . 18390 1 167 . 1 1 18 18 ARG HB3 H 1 1.736 0.017 . 2 . . . A 18 ARG HB3 . 18390 1 168 . 1 1 18 18 ARG HG2 H 1 1.184 0.007 . 2 . . . A 18 ARG HG2 . 18390 1 169 . 1 1 18 18 ARG HG3 H 1 1.636 0.022 . 2 . . . A 18 ARG HG3 . 18390 1 170 . 1 1 18 18 ARG HD2 H 1 2.610 0.001 . 2 . . . A 18 ARG HD2 . 18390 1 171 . 1 1 18 18 ARG HD3 H 1 2.610 0.001 . 2 . . . A 18 ARG HD3 . 18390 1 172 . 1 1 18 18 ARG C C 13 176.233 0.100 . 1 . . . A 18 ARG C . 18390 1 173 . 1 1 18 18 ARG CA C 13 56.400 0.003 . 1 . . . A 18 ARG CA . 18390 1 174 . 1 1 18 18 ARG CB C 13 30.400 0.037 . 1 . . . A 18 ARG CB . 18390 1 175 . 1 1 18 18 ARG CG C 13 26.677 0.152 . 1 . . . A 18 ARG CG . 18390 1 176 . 1 1 18 18 ARG CD C 13 43.667 0.056 . 1 . . . A 18 ARG CD . 18390 1 177 . 1 1 18 18 ARG N N 15 127.394 0.045 . 1 . . . A 18 ARG N . 18390 1 178 . 1 1 19 19 VAL H H 1 8.633 0.002 . 1 . . . A 19 VAL H . 18390 1 179 . 1 1 19 19 VAL HA H 1 4.889 0.003 . 1 . . . A 19 VAL HA . 18390 1 180 . 1 1 19 19 VAL HB H 1 2.176 0.004 . 1 . . . A 19 VAL HB . 18390 1 181 . 1 1 19 19 VAL HG11 H 1 0.503 0.006 . 1 . . . A 19 VAL HG11 . 18390 1 182 . 1 1 19 19 VAL HG12 H 1 0.503 0.006 . 1 . . . A 19 VAL HG12 . 18390 1 183 . 1 1 19 19 VAL HG13 H 1 0.503 0.006 . 1 . . . A 19 VAL HG13 . 18390 1 184 . 1 1 19 19 VAL HG21 H 1 0.112 0.011 . 1 . . . A 19 VAL HG21 . 18390 1 185 . 1 1 19 19 VAL HG22 H 1 0.112 0.011 . 1 . . . A 19 VAL HG22 . 18390 1 186 . 1 1 19 19 VAL HG23 H 1 0.112 0.011 . 1 . . . A 19 VAL HG23 . 18390 1 187 . 1 1 19 19 VAL C C 13 175.112 0.100 . 1 . . . A 19 VAL C . 18390 1 188 . 1 1 19 19 VAL CA C 13 59.728 0.075 . 1 . . . A 19 VAL CA . 18390 1 189 . 1 1 19 19 VAL CB C 13 35.971 0.086 . 1 . . . A 19 VAL CB . 18390 1 190 . 1 1 19 19 VAL CG1 C 13 23.176 0.025 . 2 . . . A 19 VAL CG1 . 18390 1 191 . 1 1 19 19 VAL CG2 C 13 17.743 0.045 . 2 . . . A 19 VAL CG2 . 18390 1 192 . 1 1 19 19 VAL N N 15 120.632 0.034 . 1 . . . A 19 VAL N . 18390 1 193 . 1 1 20 20 LEU H H 1 8.417 0.003 . 1 . . . A 20 LEU H . 18390 1 194 . 1 1 20 20 LEU HA H 1 5.016 0.006 . 1 . . . A 20 LEU HA . 18390 1 195 . 1 1 20 20 LEU HB2 H 1 0.968 0.008 . 2 . . . A 20 LEU HB2 . 18390 1 196 . 1 1 20 20 LEU HB3 H 1 1.265 0.005 . 2 . . . A 20 LEU HB3 . 18390 1 197 . 1 1 20 20 LEU HG H 1 1.348 0.034 . 1 . . . A 20 LEU HG . 18390 1 198 . 1 1 20 20 LEU HD11 H 1 0.484 0.011 . 1 . . . A 20 LEU HD11 . 18390 1 199 . 1 1 20 20 LEU HD12 H 1 0.484 0.011 . 1 . . . A 20 LEU HD12 . 18390 1 200 . 1 1 20 20 LEU HD13 H 1 0.484 0.011 . 1 . . . A 20 LEU HD13 . 18390 1 201 . 1 1 20 20 LEU HD21 H 1 0.631 0.003 . 1 . . . A 20 LEU HD21 . 18390 1 202 . 1 1 20 20 LEU HD22 H 1 0.631 0.003 . 1 . . . A 20 LEU HD22 . 18390 1 203 . 1 1 20 20 LEU HD23 H 1 0.631 0.003 . 1 . . . A 20 LEU HD23 . 18390 1 204 . 1 1 20 20 LEU C C 13 176.297 0.100 . 1 . . . A 20 LEU C . 18390 1 205 . 1 1 20 20 LEU CA C 13 53.232 0.102 . 1 . . . A 20 LEU CA . 18390 1 206 . 1 1 20 20 LEU CB C 13 43.991 0.021 . 1 . . . A 20 LEU CB . 18390 1 207 . 1 1 20 20 LEU CG C 13 26.921 0.004 . 1 . . . A 20 LEU CG . 18390 1 208 . 1 1 20 20 LEU CD1 C 13 26.764 0.086 . 2 . . . A 20 LEU CD1 . 18390 1 209 . 1 1 20 20 LEU CD2 C 13 23.573 0.174 . 2 . . . A 20 LEU CD2 . 18390 1 210 . 1 1 20 20 LEU N N 15 119.290 0.034 . 1 . . . A 20 LEU N . 18390 1 211 . 1 1 21 21 CYS H H 1 9.277 0.006 . 1 . . . A 21 CYS H . 18390 1 212 . 1 1 21 21 CYS HA H 1 5.329 0.004 . 1 . . . A 21 CYS HA . 18390 1 213 . 1 1 21 21 CYS HB2 H 1 2.011 0.013 . 2 . . . A 21 CYS HB2 . 18390 1 214 . 1 1 21 21 CYS HB3 H 1 2.552 0.005 . 2 . . . A 21 CYS HB3 . 18390 1 215 . 1 1 21 21 CYS C C 13 175.768 0.100 . 1 . . . A 21 CYS C . 18390 1 216 . 1 1 21 21 CYS CA C 13 57.557 0.047 . 1 . . . A 21 CYS CA . 18390 1 217 . 1 1 21 21 CYS CB C 13 30.621 0.097 . 1 . . . A 21 CYS CB . 18390 1 218 . 1 1 21 21 CYS N N 15 121.012 0.030 . 1 . . . A 21 CYS N . 18390 1 219 . 1 1 22 22 PHE H H 1 9.132 0.003 . 1 . . . A 22 PHE H . 18390 1 220 . 1 1 22 22 PHE HA H 1 5.062 0.006 . 1 . . . A 22 PHE HA . 18390 1 221 . 1 1 22 22 PHE HB2 H 1 2.816 0.010 . 2 . . . A 22 PHE HB2 . 18390 1 222 . 1 1 22 22 PHE HB3 H 1 3.286 0.005 . 2 . . . A 22 PHE HB3 . 18390 1 223 . 1 1 22 22 PHE HE1 H 1 7.210 0.007 . 3 . . . A 22 PHE HE1 . 18390 1 224 . 1 1 22 22 PHE HE2 H 1 7.210 0.007 . 3 . . . A 22 PHE HE2 . 18390 1 225 . 1 1 22 22 PHE C C 13 178.470 0.100 . 1 . . . A 22 PHE C . 18390 1 226 . 1 1 22 22 PHE CA C 13 59.627 0.016 . 1 . . . A 22 PHE CA . 18390 1 227 . 1 1 22 22 PHE CB C 13 41.220 0.134 . 1 . . . A 22 PHE CB . 18390 1 228 . 1 1 22 22 PHE CE2 C 13 132.207 0.042 . 3 . . . A 22 PHE CE2 . 18390 1 229 . 1 1 22 22 PHE N N 15 128.509 0.018 . 1 . . . A 22 PHE N . 18390 1 230 . 1 1 23 23 HIS H H 1 9.025 0.002 . 1 . . . A 23 HIS H . 18390 1 231 . 1 1 23 23 HIS N N 15 123.679 0.011 . 1 . . . A 23 HIS N . 18390 1 232 . 1 1 25 25 PRO C C 13 176.332 0.100 . 1 . . . A 25 PRO C . 18390 1 233 . 1 1 26 26 LEU H H 1 6.785 0.002 . 1 . . . A 26 LEU H . 18390 1 234 . 1 1 26 26 LEU HA H 1 4.524 0.009 . 1 . . . A 26 LEU HA . 18390 1 235 . 1 1 26 26 LEU HB2 H 1 1.089 0.007 . 2 . . . A 26 LEU HB2 . 18390 1 236 . 1 1 26 26 LEU HB3 H 1 1.685 0.006 . 2 . . . A 26 LEU HB3 . 18390 1 237 . 1 1 26 26 LEU HG H 1 1.369 0.034 . 1 . . . A 26 LEU HG . 18390 1 238 . 1 1 26 26 LEU HD11 H 1 0.906 0.003 . 1 . . . A 26 LEU HD11 . 18390 1 239 . 1 1 26 26 LEU HD12 H 1 0.906 0.003 . 1 . . . A 26 LEU HD12 . 18390 1 240 . 1 1 26 26 LEU HD13 H 1 0.906 0.003 . 1 . . . A 26 LEU HD13 . 18390 1 241 . 1 1 26 26 LEU HD21 H 1 0.761 0.008 . 1 . . . A 26 LEU HD21 . 18390 1 242 . 1 1 26 26 LEU HD22 H 1 0.761 0.008 . 1 . . . A 26 LEU HD22 . 18390 1 243 . 1 1 26 26 LEU HD23 H 1 0.761 0.008 . 1 . . . A 26 LEU HD23 . 18390 1 244 . 1 1 26 26 LEU C C 13 174.816 0.100 . 1 . . . A 26 LEU C . 18390 1 245 . 1 1 26 26 LEU CA C 13 53.718 0.089 . 1 . . . A 26 LEU CA . 18390 1 246 . 1 1 26 26 LEU CB C 13 44.861 0.054 . 1 . . . A 26 LEU CB . 18390 1 247 . 1 1 26 26 LEU CG C 13 27.873 0.019 . 1 . . . A 26 LEU CG . 18390 1 248 . 1 1 26 26 LEU CD1 C 13 25.827 0.064 . 2 . . . A 26 LEU CD1 . 18390 1 249 . 1 1 26 26 LEU CD2 C 13 23.681 0.119 . 2 . . . A 26 LEU CD2 . 18390 1 250 . 1 1 26 26 LEU N N 15 117.460 0.001 . 1 . . . A 26 LEU N . 18390 1 251 . 1 1 27 27 ILE H H 1 7.404 0.004 . 1 . . . A 27 ILE H . 18390 1 252 . 1 1 27 27 ILE HA H 1 3.887 0.007 . 1 . . . A 27 ILE HA . 18390 1 253 . 1 1 27 27 ILE HB H 1 0.898 0.006 . 1 . . . A 27 ILE HB . 18390 1 254 . 1 1 27 27 ILE HG12 H 1 -0.844 0.009 . 2 . . . A 27 ILE HG12 . 18390 1 255 . 1 1 27 27 ILE HG13 H 1 0.753 0.007 . 2 . . . A 27 ILE HG13 . 18390 1 256 . 1 1 27 27 ILE HG21 H 1 0.278 0.007 . 1 . . . A 27 ILE HG21 . 18390 1 257 . 1 1 27 27 ILE HG22 H 1 0.278 0.007 . 1 . . . A 27 ILE HG22 . 18390 1 258 . 1 1 27 27 ILE HG23 H 1 0.278 0.007 . 1 . . . A 27 ILE HG23 . 18390 1 259 . 1 1 27 27 ILE HD11 H 1 0.197 0.015 . 1 . . . A 27 ILE HD11 . 18390 1 260 . 1 1 27 27 ILE HD12 H 1 0.197 0.015 . 1 . . . A 27 ILE HD12 . 18390 1 261 . 1 1 27 27 ILE HD13 H 1 0.197 0.015 . 1 . . . A 27 ILE HD13 . 18390 1 262 . 1 1 27 27 ILE C C 13 175.799 0.100 . 1 . . . A 27 ILE C . 18390 1 263 . 1 1 27 27 ILE CA C 13 60.413 0.057 . 1 . . . A 27 ILE CA . 18390 1 264 . 1 1 27 27 ILE CB C 13 40.357 0.078 . 1 . . . A 27 ILE CB . 18390 1 265 . 1 1 27 27 ILE CG1 C 13 26.751 0.064 . 1 . . . A 27 ILE CG1 . 18390 1 266 . 1 1 27 27 ILE CG2 C 13 21.014 0.036 . 1 . . . A 27 ILE CG2 . 18390 1 267 . 1 1 27 27 ILE CD1 C 13 14.155 0.056 . 1 . . . A 27 ILE CD1 . 18390 1 268 . 1 1 27 27 ILE N N 15 116.195 0.034 . 1 . . . A 27 ILE N . 18390 1 269 . 1 1 28 28 TYR H H 1 8.608 0.008 . 1 . . . A 28 TYR H . 18390 1 270 . 1 1 28 28 TYR HA H 1 4.609 0.007 . 1 . . . A 28 TYR HA . 18390 1 271 . 1 1 28 28 TYR HB2 H 1 2.420 0.007 . 2 . . . A 28 TYR HB2 . 18390 1 272 . 1 1 28 28 TYR HB3 H 1 3.235 0.008 . 2 . . . A 28 TYR HB3 . 18390 1 273 . 1 1 28 28 TYR HD1 H 1 7.094 0.006 . 3 . . . A 28 TYR HD1 . 18390 1 274 . 1 1 28 28 TYR HD2 H 1 7.094 0.006 . 3 . . . A 28 TYR HD2 . 18390 1 275 . 1 1 28 28 TYR HE1 H 1 6.991 0.034 . 3 . . . A 28 TYR HE1 . 18390 1 276 . 1 1 28 28 TYR HE2 H 1 6.991 0.034 . 3 . . . A 28 TYR HE2 . 18390 1 277 . 1 1 28 28 TYR C C 13 176.620 0.100 . 1 . . . A 28 TYR C . 18390 1 278 . 1 1 28 28 TYR CA C 13 56.903 0.035 . 1 . . . A 28 TYR CA . 18390 1 279 . 1 1 28 28 TYR CB C 13 42.782 0.080 . 1 . . . A 28 TYR CB . 18390 1 280 . 1 1 28 28 TYR CD1 C 13 133.303 0.080 . 3 . . . A 28 TYR CD1 . 18390 1 281 . 1 1 28 28 TYR CE1 C 13 118.352 0.035 . 3 . . . A 28 TYR CE1 . 18390 1 282 . 1 1 28 28 TYR N N 15 124.078 0.039 . 1 . . . A 28 TYR N . 18390 1 283 . 1 1 29 29 GLU H H 1 8.779 0.005 . 1 . . . A 29 GLU H . 18390 1 284 . 1 1 29 29 GLU HA H 1 4.495 0.004 . 1 . . . A 29 GLU HA . 18390 1 285 . 1 1 29 29 GLU HG2 H 1 2.310 0.034 . 2 . . . A 29 GLU HG2 . 18390 1 286 . 1 1 29 29 GLU HG3 H 1 2.310 0.034 . 2 . . . A 29 GLU HG3 . 18390 1 287 . 1 1 29 29 GLU C C 13 176.879 0.100 . 1 . . . A 29 GLU C . 18390 1 288 . 1 1 29 29 GLU CA C 13 57.703 0.051 . 1 . . . A 29 GLU CA . 18390 1 289 . 1 1 29 29 GLU CB C 13 29.591 0.035 . 1 . . . A 29 GLU CB . 18390 1 290 . 1 1 29 29 GLU CG C 13 37.118 0.123 . 1 . . . A 29 GLU CG . 18390 1 291 . 1 1 29 29 GLU N N 15 121.988 0.013 . 1 . . . A 29 GLU N . 18390 1 292 . 1 1 30 30 ALA H H 1 9.039 0.006 . 1 . . . A 30 ALA H . 18390 1 293 . 1 1 30 30 ALA HA H 1 4.888 0.005 . 1 . . . A 30 ALA HA . 18390 1 294 . 1 1 30 30 ALA HB1 H 1 0.779 0.006 . 1 . . . A 30 ALA HB1 . 18390 1 295 . 1 1 30 30 ALA HB2 H 1 0.779 0.006 . 1 . . . A 30 ALA HB2 . 18390 1 296 . 1 1 30 30 ALA HB3 H 1 0.779 0.006 . 1 . . . A 30 ALA HB3 . 18390 1 297 . 1 1 30 30 ALA C C 13 176.487 0.100 . 1 . . . A 30 ALA C . 18390 1 298 . 1 1 30 30 ALA CA C 13 51.500 0.091 . 1 . . . A 30 ALA CA . 18390 1 299 . 1 1 30 30 ALA CB C 13 24.679 0.043 . 1 . . . A 30 ALA CB . 18390 1 300 . 1 1 30 30 ALA N N 15 128.879 0.016 . 1 . . . A 30 ALA N . 18390 1 301 . 1 1 31 31 LYS H H 1 8.654 0.003 . 1 . . . A 31 LYS H . 18390 1 302 . 1 1 31 31 LYS HA H 1 5.108 0.005 . 1 . . . A 31 LYS HA . 18390 1 303 . 1 1 31 31 LYS HB2 H 1 1.568 0.034 . 2 . . . A 31 LYS HB2 . 18390 1 304 . 1 1 31 31 LYS HB3 H 1 1.568 0.034 . 2 . . . A 31 LYS HB3 . 18390 1 305 . 1 1 31 31 LYS HG2 H 1 1.554 0.001 . 2 . . . A 31 LYS HG2 . 18390 1 306 . 1 1 31 31 LYS HG3 H 1 1.554 0.001 . 2 . . . A 31 LYS HG3 . 18390 1 307 . 1 1 31 31 LYS HD2 H 1 1.127 0.003 . 2 . . . A 31 LYS HD2 . 18390 1 308 . 1 1 31 31 LYS HD3 H 1 1.127 0.003 . 2 . . . A 31 LYS HD3 . 18390 1 309 . 1 1 31 31 LYS HE2 H 1 2.859 0.001 . 2 . . . A 31 LYS HE2 . 18390 1 310 . 1 1 31 31 LYS HE3 H 1 2.859 0.001 . 2 . . . A 31 LYS HE3 . 18390 1 311 . 1 1 31 31 LYS C C 13 176.028 0.100 . 1 . . . A 31 LYS C . 18390 1 312 . 1 1 31 31 LYS CA C 13 54.700 0.035 . 1 . . . A 31 LYS CA . 18390 1 313 . 1 1 31 31 LYS CB C 13 37.188 0.086 . 1 . . . A 31 LYS CB . 18390 1 314 . 1 1 31 31 LYS CG C 13 29.517 0.144 . 1 . . . A 31 LYS CG . 18390 1 315 . 1 1 31 31 LYS CD C 13 24.771 0.071 . 1 . . . A 31 LYS CD . 18390 1 316 . 1 1 31 31 LYS CE C 13 42.044 0.032 . 1 . . . A 31 LYS CE . 18390 1 317 . 1 1 31 31 LYS N N 15 121.450 0.042 . 1 . . . A 31 LYS N . 18390 1 318 . 1 1 32 32 VAL H H 1 8.133 0.004 . 1 . . . A 32 VAL H . 18390 1 319 . 1 1 32 32 VAL HA H 1 3.807 0.003 . 1 . . . A 32 VAL HA . 18390 1 320 . 1 1 32 32 VAL HB H 1 2.296 0.007 . 1 . . . A 32 VAL HB . 18390 1 321 . 1 1 32 32 VAL HG11 H 1 0.914 0.005 . 1 . . . A 32 VAL HG11 . 18390 1 322 . 1 1 32 32 VAL HG12 H 1 0.914 0.005 . 1 . . . A 32 VAL HG12 . 18390 1 323 . 1 1 32 32 VAL HG13 H 1 0.914 0.005 . 1 . . . A 32 VAL HG13 . 18390 1 324 . 1 1 32 32 VAL HG21 H 1 0.544 0.006 . 1 . . . A 32 VAL HG21 . 18390 1 325 . 1 1 32 32 VAL HG22 H 1 0.544 0.006 . 1 . . . A 32 VAL HG22 . 18390 1 326 . 1 1 32 32 VAL HG23 H 1 0.544 0.006 . 1 . . . A 32 VAL HG23 . 18390 1 327 . 1 1 32 32 VAL C C 13 177.671 0.100 . 1 . . . A 32 VAL C . 18390 1 328 . 1 1 32 32 VAL CA C 13 63.257 0.059 . 1 . . . A 32 VAL CA . 18390 1 329 . 1 1 32 32 VAL CB C 13 32.545 0.093 . 1 . . . A 32 VAL CB . 18390 1 330 . 1 1 32 32 VAL CG1 C 13 23.460 0.049 . 2 . . . A 32 VAL CG1 . 18390 1 331 . 1 1 32 32 VAL CG2 C 13 21.656 0.032 . 2 . . . A 32 VAL CG2 . 18390 1 332 . 1 1 32 32 VAL N N 15 124.316 0.055 . 1 . . . A 32 VAL N . 18390 1 333 . 1 1 33 33 LEU H H 1 9.819 0.008 . 1 . . . A 33 LEU H . 18390 1 334 . 1 1 33 33 LEU HA H 1 4.553 0.002 . 1 . . . A 33 LEU HA . 18390 1 335 . 1 1 33 33 LEU HB2 H 1 1.540 0.005 . 2 . . . A 33 LEU HB2 . 18390 1 336 . 1 1 33 33 LEU HB3 H 1 1.816 0.004 . 2 . . . A 33 LEU HB3 . 18390 1 337 . 1 1 33 33 LEU HG H 1 1.571 0.005 . 1 . . . A 33 LEU HG . 18390 1 338 . 1 1 33 33 LEU HD11 H 1 0.700 0.007 . 1 . . . A 33 LEU HD11 . 18390 1 339 . 1 1 33 33 LEU HD12 H 1 0.700 0.007 . 1 . . . A 33 LEU HD12 . 18390 1 340 . 1 1 33 33 LEU HD13 H 1 0.700 0.007 . 1 . . . A 33 LEU HD13 . 18390 1 341 . 1 1 33 33 LEU HD21 H 1 0.712 0.006 . 1 . . . A 33 LEU HD21 . 18390 1 342 . 1 1 33 33 LEU HD22 H 1 0.712 0.006 . 1 . . . A 33 LEU HD22 . 18390 1 343 . 1 1 33 33 LEU HD23 H 1 0.712 0.006 . 1 . . . A 33 LEU HD23 . 18390 1 344 . 1 1 33 33 LEU C C 13 178.378 0.100 . 1 . . . A 33 LEU C . 18390 1 345 . 1 1 33 33 LEU CA C 13 55.903 0.129 . 1 . . . A 33 LEU CA . 18390 1 346 . 1 1 33 33 LEU CB C 13 43.831 0.082 . 1 . . . A 33 LEU CB . 18390 1 347 . 1 1 33 33 LEU CG C 13 27.169 0.021 . 1 . . . A 33 LEU CG . 18390 1 348 . 1 1 33 33 LEU CD1 C 13 25.757 0.057 . 2 . . . A 33 LEU CD1 . 18390 1 349 . 1 1 33 33 LEU CD2 C 13 22.446 0.164 . 2 . . . A 33 LEU CD2 . 18390 1 350 . 1 1 33 33 LEU N N 15 128.950 0.036 . 1 . . . A 33 LEU N . 18390 1 351 . 1 1 34 34 LYS H H 1 7.568 0.002 . 1 . . . A 34 LYS H . 18390 1 352 . 1 1 34 34 LYS HA H 1 4.841 0.003 . 1 . . . A 34 LYS HA . 18390 1 353 . 1 1 34 34 LYS HB2 H 1 1.643 0.004 . 2 . . . A 34 LYS HB2 . 18390 1 354 . 1 1 34 34 LYS HB3 H 1 1.968 0.004 . 2 . . . A 34 LYS HB3 . 18390 1 355 . 1 1 34 34 LYS HG2 H 1 1.567 0.034 . 2 . . . A 34 LYS HG2 . 18390 1 356 . 1 1 34 34 LYS HD2 H 1 1.415 0.006 . 2 . . . A 34 LYS HD2 . 18390 1 357 . 1 1 34 34 LYS HD3 H 1 1.581 0.013 . 2 . . . A 34 LYS HD3 . 18390 1 358 . 1 1 34 34 LYS HE2 H 1 2.865 0.005 . 2 . . . A 34 LYS HE2 . 18390 1 359 . 1 1 34 34 LYS HE3 H 1 2.865 0.005 . 2 . . . A 34 LYS HE3 . 18390 1 360 . 1 1 34 34 LYS C C 13 175.986 0.100 . 1 . . . A 34 LYS C . 18390 1 361 . 1 1 34 34 LYS CA C 13 55.223 0.035 . 1 . . . A 34 LYS CA . 18390 1 362 . 1 1 34 34 LYS CB C 13 37.545 0.097 . 1 . . . A 34 LYS CB . 18390 1 363 . 1 1 34 34 LYS CG C 13 29.455 0.150 . 1 . . . A 34 LYS CG . 18390 1 364 . 1 1 34 34 LYS CD C 13 25.272 0.087 . 1 . . . A 34 LYS CD . 18390 1 365 . 1 1 34 34 LYS CE C 13 42.156 0.139 . 1 . . . A 34 LYS CE . 18390 1 366 . 1 1 34 34 LYS N N 15 115.715 0.026 . 1 . . . A 34 LYS N . 18390 1 367 . 1 1 35 35 THR H H 1 9.155 0.004 . 1 . . . A 35 THR H . 18390 1 368 . 1 1 35 35 THR HA H 1 5.080 0.005 . 1 . . . A 35 THR HA . 18390 1 369 . 1 1 35 35 THR HB H 1 3.990 0.005 . 1 . . . A 35 THR HB . 18390 1 370 . 1 1 35 35 THR HG21 H 1 1.253 0.005 . 1 . . . A 35 THR HG21 . 18390 1 371 . 1 1 35 35 THR HG22 H 1 1.253 0.005 . 1 . . . A 35 THR HG22 . 18390 1 372 . 1 1 35 35 THR HG23 H 1 1.253 0.005 . 1 . . . A 35 THR HG23 . 18390 1 373 . 1 1 35 35 THR C C 13 174.731 0.100 . 1 . . . A 35 THR C . 18390 1 374 . 1 1 35 35 THR CA C 13 62.383 0.112 . 1 . . . A 35 THR CA . 18390 1 375 . 1 1 35 35 THR CB C 13 72.197 0.071 . 1 . . . A 35 THR CB . 18390 1 376 . 1 1 35 35 THR CG2 C 13 21.948 0.011 . 1 . . . A 35 THR CG2 . 18390 1 377 . 1 1 35 35 THR N N 15 117.005 0.023 . 1 . . . A 35 THR N . 18390 1 378 . 1 1 36 36 LYS H H 1 8.846 0.003 . 1 . . . A 36 LYS H . 18390 1 379 . 1 1 36 36 LYS HA H 1 4.907 0.004 . 1 . . . A 36 LYS HA . 18390 1 380 . 1 1 36 36 LYS HB2 H 1 1.379 0.004 . 2 . . . A 36 LYS HB2 . 18390 1 381 . 1 1 36 36 LYS HB3 H 1 1.706 0.005 . 2 . . . A 36 LYS HB3 . 18390 1 382 . 1 1 36 36 LYS HG2 H 1 0.803 0.003 . 2 . . . A 36 LYS HG2 . 18390 1 383 . 1 1 36 36 LYS HG3 H 1 1.156 0.004 . 2 . . . A 36 LYS HG3 . 18390 1 384 . 1 1 36 36 LYS HD2 H 1 1.120 0.002 . 2 . . . A 36 LYS HD2 . 18390 1 385 . 1 1 36 36 LYS HD3 H 1 1.120 0.002 . 2 . . . A 36 LYS HD3 . 18390 1 386 . 1 1 36 36 LYS HE2 H 1 1.652 0.009 . 2 . . . A 36 LYS HE2 . 18390 1 387 . 1 1 36 36 LYS HE3 H 1 2.073 0.006 . 2 . . . A 36 LYS HE3 . 18390 1 388 . 1 1 36 36 LYS CA C 13 53.862 0.010 . 1 . . . A 36 LYS CA . 18390 1 389 . 1 1 36 36 LYS CB C 13 34.232 0.061 . 1 . . . A 36 LYS CB . 18390 1 390 . 1 1 36 36 LYS CG C 13 29.514 0.005 . 1 . . . A 36 LYS CG . 18390 1 391 . 1 1 36 36 LYS CD C 13 25.093 0.035 . 1 . . . A 36 LYS CD . 18390 1 392 . 1 1 36 36 LYS CE C 13 41.219 0.067 . 1 . . . A 36 LYS CE . 18390 1 393 . 1 1 36 36 LYS N N 15 125.603 0.024 . 1 . . . A 36 LYS N . 18390 1 394 . 1 1 37 37 PRO HA H 1 4.416 0.007 . 1 . . . A 37 PRO HA . 18390 1 395 . 1 1 37 37 PRO HB2 H 1 2.147 0.012 . 2 . . . A 37 PRO HB2 . 18390 1 396 . 1 1 37 37 PRO HB3 H 1 2.147 0.012 . 2 . . . A 37 PRO HB3 . 18390 1 397 . 1 1 37 37 PRO HG2 H 1 1.972 0.009 . 2 . . . A 37 PRO HG2 . 18390 1 398 . 1 1 37 37 PRO HG3 H 1 1.972 0.009 . 2 . . . A 37 PRO HG3 . 18390 1 399 . 1 1 37 37 PRO HD2 H 1 3.859 0.003 . 2 . . . A 37 PRO HD2 . 18390 1 400 . 1 1 37 37 PRO HD3 H 1 3.633 0.004 . 2 . . . A 37 PRO HD3 . 18390 1 401 . 1 1 37 37 PRO C C 13 176.959 0.100 . 1 . . . A 37 PRO C . 18390 1 402 . 1 1 37 37 PRO CA C 13 64.125 0.039 . 1 . . . A 37 PRO CA . 18390 1 403 . 1 1 37 37 PRO CB C 13 32.664 0.082 . 1 . . . A 37 PRO CB . 18390 1 404 . 1 1 37 37 PRO CG C 13 26.833 0.096 . 1 . . . A 37 PRO CG . 18390 1 405 . 1 1 37 37 PRO CD C 13 50.906 0.082 . 1 . . . A 37 PRO CD . 18390 1 406 . 1 1 38 38 ASP H H 1 8.551 0.010 . 1 . . . A 38 ASP H . 18390 1 407 . 1 1 38 38 ASP HA H 1 4.567 0.004 . 1 . . . A 38 ASP HA . 18390 1 408 . 1 1 38 38 ASP HB2 H 1 2.619 0.003 . 2 . . . A 38 ASP HB2 . 18390 1 409 . 1 1 38 38 ASP HB3 H 1 2.619 0.003 . 2 . . . A 38 ASP HB3 . 18390 1 410 . 1 1 38 38 ASP C C 13 176.646 0.100 . 1 . . . A 38 ASP C . 18390 1 411 . 1 1 38 38 ASP CA C 13 53.325 0.068 . 1 . . . A 38 ASP CA . 18390 1 412 . 1 1 38 38 ASP CB C 13 40.258 0.067 . 1 . . . A 38 ASP CB . 18390 1 413 . 1 1 38 38 ASP N N 15 115.739 0.029 . 1 . . . A 38 ASP N . 18390 1 414 . 1 1 39 39 ALA H H 1 7.046 0.011 . 1 . . . A 39 ALA H . 18390 1 415 . 1 1 39 39 ALA HA H 1 4.316 0.002 . 1 . . . A 39 ALA HA . 18390 1 416 . 1 1 39 39 ALA HB1 H 1 1.298 0.003 . 1 . . . A 39 ALA HB1 . 18390 1 417 . 1 1 39 39 ALA HB2 H 1 1.298 0.003 . 1 . . . A 39 ALA HB2 . 18390 1 418 . 1 1 39 39 ALA HB3 H 1 1.298 0.003 . 1 . . . A 39 ALA HB3 . 18390 1 419 . 1 1 39 39 ALA C C 13 176.657 0.100 . 1 . . . A 39 ALA C . 18390 1 420 . 1 1 39 39 ALA CA C 13 51.618 0.119 . 1 . . . A 39 ALA CA . 18390 1 421 . 1 1 39 39 ALA CB C 13 21.131 0.050 . 1 . . . A 39 ALA CB . 18390 1 422 . 1 1 39 39 ALA N N 15 124.181 0.017 . 1 . . . A 39 ALA N . 18390 1 423 . 1 1 40 40 THR H H 1 8.078 0.008 . 1 . . . A 40 THR H . 18390 1 424 . 1 1 40 40 THR HA H 1 4.482 0.003 . 1 . . . A 40 THR HA . 18390 1 425 . 1 1 40 40 THR HB H 1 3.971 0.002 . 1 . . . A 40 THR HB . 18390 1 426 . 1 1 40 40 THR HG21 H 1 1.110 0.006 . 1 . . . A 40 THR HG21 . 18390 1 427 . 1 1 40 40 THR HG22 H 1 1.110 0.006 . 1 . . . A 40 THR HG22 . 18390 1 428 . 1 1 40 40 THR HG23 H 1 1.110 0.006 . 1 . . . A 40 THR HG23 . 18390 1 429 . 1 1 40 40 THR CA C 13 58.212 0.046 . 1 . . . A 40 THR CA . 18390 1 430 . 1 1 40 40 THR CB C 13 71.489 0.053 . 1 . . . A 40 THR CB . 18390 1 431 . 1 1 40 40 THR CG2 C 13 20.547 0.137 . 1 . . . A 40 THR CG2 . 18390 1 432 . 1 1 40 40 THR N N 15 113.038 0.018 . 1 . . . A 40 THR N . 18390 1 433 . 1 1 41 41 PRO HA H 1 4.022 0.034 . 1 . . . A 41 PRO HA . 18390 1 434 . 1 1 41 41 PRO HB2 H 1 2.578 0.012 . 2 . . . A 41 PRO HB2 . 18390 1 435 . 1 1 41 41 PRO C C 13 175.099 0.100 . 1 . . . A 41 PRO C . 18390 1 436 . 1 1 41 41 PRO CA C 13 63.246 0.035 . 1 . . . A 41 PRO CA . 18390 1 437 . 1 1 41 41 PRO CB C 13 35.560 0.045 . 1 . . . A 41 PRO CB . 18390 1 438 . 1 1 41 41 PRO CG C 13 25.396 0.035 . 1 . . . A 41 PRO CG . 18390 1 439 . 1 1 42 42 VAL H H 1 8.174 0.005 . 1 . . . A 42 VAL H . 18390 1 440 . 1 1 42 42 VAL HA H 1 3.523 0.005 . 1 . . . A 42 VAL HA . 18390 1 441 . 1 1 42 42 VAL HB H 1 1.885 0.004 . 1 . . . A 42 VAL HB . 18390 1 442 . 1 1 42 42 VAL HG11 H 1 0.622 0.007 . 1 . . . A 42 VAL HG11 . 18390 1 443 . 1 1 42 42 VAL HG12 H 1 0.622 0.007 . 1 . . . A 42 VAL HG12 . 18390 1 444 . 1 1 42 42 VAL HG13 H 1 0.622 0.007 . 1 . . . A 42 VAL HG13 . 18390 1 445 . 1 1 42 42 VAL HG21 H 1 1.224 0.005 . 1 . . . A 42 VAL HG21 . 18390 1 446 . 1 1 42 42 VAL HG22 H 1 1.224 0.005 . 1 . . . A 42 VAL HG22 . 18390 1 447 . 1 1 42 42 VAL HG23 H 1 1.224 0.005 . 1 . . . A 42 VAL HG23 . 18390 1 448 . 1 1 42 42 VAL C C 13 175.843 0.100 . 1 . . . A 42 VAL C . 18390 1 449 . 1 1 42 42 VAL CA C 13 64.893 0.028 . 1 . . . A 42 VAL CA . 18390 1 450 . 1 1 42 42 VAL CB C 13 32.586 0.042 . 1 . . . A 42 VAL CB . 18390 1 451 . 1 1 42 42 VAL CG1 C 13 21.489 0.031 . 2 . . . A 42 VAL CG1 . 18390 1 452 . 1 1 42 42 VAL CG2 C 13 23.422 0.066 . 2 . . . A 42 VAL CG2 . 18390 1 453 . 1 1 42 42 VAL N N 15 120.912 0.070 . 1 . . . A 42 VAL N . 18390 1 454 . 1 1 43 43 GLU H H 1 6.519 0.008 . 1 . . . A 43 GLU H . 18390 1 455 . 1 1 43 43 GLU HA H 1 5.393 0.011 . 1 . . . A 43 GLU HA . 18390 1 456 . 1 1 43 43 GLU HB2 H 1 1.661 0.008 . 2 . . . A 43 GLU HB2 . 18390 1 457 . 1 1 43 43 GLU HB3 H 1 2.172 0.015 . 2 . . . A 43 GLU HB3 . 18390 1 458 . 1 1 43 43 GLU HG2 H 1 1.928 0.009 . 2 . . . A 43 GLU HG2 . 18390 1 459 . 1 1 43 43 GLU HG3 H 1 2.319 0.008 . 2 . . . A 43 GLU HG3 . 18390 1 460 . 1 1 43 43 GLU C C 13 175.529 0.100 . 1 . . . A 43 GLU C . 18390 1 461 . 1 1 43 43 GLU CA C 13 53.700 0.110 . 1 . . . A 43 GLU CA . 18390 1 462 . 1 1 43 43 GLU CB C 13 35.351 0.090 . 1 . . . A 43 GLU CB . 18390 1 463 . 1 1 43 43 GLU CG C 13 36.289 0.092 . 1 . . . A 43 GLU CG . 18390 1 464 . 1 1 43 43 GLU N N 15 120.415 0.028 . 1 . . . A 43 GLU N . 18390 1 465 . 1 1 44 44 TYR H H 1 9.280 0.011 . 1 . . . A 44 TYR H . 18390 1 466 . 1 1 44 44 TYR HA H 1 5.269 0.008 . 1 . . . A 44 TYR HA . 18390 1 467 . 1 1 44 44 TYR HB2 H 1 2.452 0.006 . 2 . . . A 44 TYR HB2 . 18390 1 468 . 1 1 44 44 TYR HB3 H 1 2.878 0.003 . 2 . . . A 44 TYR HB3 . 18390 1 469 . 1 1 44 44 TYR HD1 H 1 7.043 0.011 . 3 . . . A 44 TYR HD1 . 18390 1 470 . 1 1 44 44 TYR HD2 H 1 7.043 0.011 . 3 . . . A 44 TYR HD2 . 18390 1 471 . 1 1 44 44 TYR HE1 H 1 6.924 0.034 . 3 . . . A 44 TYR HE1 . 18390 1 472 . 1 1 44 44 TYR HE2 H 1 6.924 0.034 . 3 . . . A 44 TYR HE2 . 18390 1 473 . 1 1 44 44 TYR C C 13 174.575 0.100 . 1 . . . A 44 TYR C . 18390 1 474 . 1 1 44 44 TYR CA C 13 56.891 0.080 . 1 . . . A 44 TYR CA . 18390 1 475 . 1 1 44 44 TYR CB C 13 42.731 0.107 . 1 . . . A 44 TYR CB . 18390 1 476 . 1 1 44 44 TYR CD2 C 13 133.417 0.098 . 3 . . . A 44 TYR CD2 . 18390 1 477 . 1 1 44 44 TYR CE2 C 13 118.739 0.035 . 3 . . . A 44 TYR CE2 . 18390 1 478 . 1 1 44 44 TYR N N 15 118.015 0.048 . 1 . . . A 44 TYR N . 18390 1 479 . 1 1 45 45 TYR H H 1 8.957 0.005 . 1 . . . A 45 TYR H . 18390 1 480 . 1 1 45 45 TYR HA H 1 4.232 0.006 . 1 . . . A 45 TYR HA . 18390 1 481 . 1 1 45 45 TYR HB2 H 1 0.089 0.007 . 2 . . . A 45 TYR HB2 . 18390 1 482 . 1 1 45 45 TYR HB3 H 1 2.061 0.007 . 2 . . . A 45 TYR HB3 . 18390 1 483 . 1 1 45 45 TYR HD1 H 1 5.677 0.006 . 3 . . . A 45 TYR HD1 . 18390 1 484 . 1 1 45 45 TYR HD2 H 1 5.677 0.006 . 3 . . . A 45 TYR HD2 . 18390 1 485 . 1 1 45 45 TYR HE1 H 1 6.475 0.008 . 3 . . . A 45 TYR HE1 . 18390 1 486 . 1 1 45 45 TYR HE2 H 1 6.475 0.008 . 3 . . . A 45 TYR HE2 . 18390 1 487 . 1 1 45 45 TYR C C 13 174.947 0.100 . 1 . . . A 45 TYR C . 18390 1 488 . 1 1 45 45 TYR CA C 13 56.737 0.114 . 1 . . . A 45 TYR CA . 18390 1 489 . 1 1 45 45 TYR CB C 13 37.601 0.068 . 1 . . . A 45 TYR CB . 18390 1 490 . 1 1 45 45 TYR CD2 C 13 132.190 0.016 . 3 . . . A 45 TYR CD2 . 18390 1 491 . 1 1 45 45 TYR CE2 C 13 117.046 0.006 . 3 . . . A 45 TYR CE2 . 18390 1 492 . 1 1 45 45 TYR N N 15 129.018 0.043 . 1 . . . A 45 TYR N . 18390 1 493 . 1 1 46 46 ILE H H 1 8.515 0.006 . 1 . . . A 46 ILE H . 18390 1 494 . 1 1 46 46 ILE HA H 1 4.426 0.008 . 1 . . . A 46 ILE HA . 18390 1 495 . 1 1 46 46 ILE HB H 1 1.536 0.006 . 1 . . . A 46 ILE HB . 18390 1 496 . 1 1 46 46 ILE HG12 H 1 1.143 0.002 . 2 . . . A 46 ILE HG12 . 18390 1 497 . 1 1 46 46 ILE HG13 H 1 1.277 0.005 . 2 . . . A 46 ILE HG13 . 18390 1 498 . 1 1 46 46 ILE HG21 H 1 -0.082 0.009 . 1 . . . A 46 ILE HG21 . 18390 1 499 . 1 1 46 46 ILE HG22 H 1 -0.082 0.009 . 1 . . . A 46 ILE HG22 . 18390 1 500 . 1 1 46 46 ILE HG23 H 1 -0.082 0.009 . 1 . . . A 46 ILE HG23 . 18390 1 501 . 1 1 46 46 ILE HD11 H 1 0.193 0.008 . 1 . . . A 46 ILE HD11 . 18390 1 502 . 1 1 46 46 ILE HD12 H 1 0.193 0.008 . 1 . . . A 46 ILE HD12 . 18390 1 503 . 1 1 46 46 ILE HD13 H 1 0.193 0.008 . 1 . . . A 46 ILE HD13 . 18390 1 504 . 1 1 46 46 ILE C C 13 174.931 0.100 . 1 . . . A 46 ILE C . 18390 1 505 . 1 1 46 46 ILE CA C 13 57.489 0.031 . 1 . . . A 46 ILE CA . 18390 1 506 . 1 1 46 46 ILE CB C 13 40.021 0.044 . 1 . . . A 46 ILE CB . 18390 1 507 . 1 1 46 46 ILE CG1 C 13 26.495 0.019 . 1 . . . A 46 ILE CG1 . 18390 1 508 . 1 1 46 46 ILE CG2 C 13 17.292 0.171 . 1 . . . A 46 ILE CG2 . 18390 1 509 . 1 1 46 46 ILE CD1 C 13 11.569 0.059 . 1 . . . A 46 ILE CD1 . 18390 1 510 . 1 1 46 46 ILE N N 15 129.061 0.041 . 1 . . . A 46 ILE N . 18390 1 511 . 1 1 47 47 HIS H H 1 7.801 0.004 . 1 . . . A 47 HIS H . 18390 1 512 . 1 1 47 47 HIS HA H 1 4.875 0.034 . 1 . . . A 47 HIS HA . 18390 1 513 . 1 1 47 47 HIS HD2 H 1 6.916 0.004 . 1 . . . A 47 HIS HD2 . 18390 1 514 . 1 1 47 47 HIS C C 13 175.289 0.100 . 1 . . . A 47 HIS C . 18390 1 515 . 1 1 47 47 HIS CA C 13 53.359 0.035 . 1 . . . A 47 HIS CA . 18390 1 516 . 1 1 47 47 HIS CB C 13 31.601 0.054 . 1 . . . A 47 HIS CB . 18390 1 517 . 1 1 47 47 HIS CD2 C 13 119.496 0.014 . 1 . . . A 47 HIS CD2 . 18390 1 518 . 1 1 47 47 HIS N N 15 118.453 0.051 . 1 . . . A 47 HIS N . 18390 1 519 . 1 1 48 48 TYR H H 1 7.993 0.006 . 1 . . . A 48 TYR H . 18390 1 520 . 1 1 48 48 TYR HA H 1 3.771 0.004 . 1 . . . A 48 TYR HA . 18390 1 521 . 1 1 48 48 TYR HD1 H 1 6.482 0.001 . 3 . . . A 48 TYR HD1 . 18390 1 522 . 1 1 48 48 TYR HD2 H 1 6.482 0.001 . 3 . . . A 48 TYR HD2 . 18390 1 523 . 1 1 48 48 TYR HE1 H 1 6.416 0.034 . 3 . . . A 48 TYR HE1 . 18390 1 524 . 1 1 48 48 TYR HE2 H 1 6.416 0.034 . 3 . . . A 48 TYR HE2 . 18390 1 525 . 1 1 48 48 TYR C C 13 176.065 0.100 . 1 . . . A 48 TYR C . 18390 1 526 . 1 1 48 48 TYR CB C 13 37.242 0.035 . 1 . . . A 48 TYR CB . 18390 1 527 . 1 1 48 48 TYR CD1 C 13 132.921 0.020 . 3 . . . A 48 TYR CD1 . 18390 1 528 . 1 1 48 48 TYR CE1 C 13 116.840 0.035 . 3 . . . A 48 TYR CE1 . 18390 1 529 . 1 1 48 48 TYR N N 15 128.932 0.027 . 1 . . . A 48 TYR N . 18390 1 530 . 1 1 49 49 ALA H H 1 7.840 0.003 . 1 . . . A 49 ALA H . 18390 1 531 . 1 1 49 49 ALA HA H 1 3.938 0.007 . 1 . . . A 49 ALA HA . 18390 1 532 . 1 1 49 49 ALA HB1 H 1 1.147 0.002 . 1 . . . A 49 ALA HB1 . 18390 1 533 . 1 1 49 49 ALA HB2 H 1 1.147 0.002 . 1 . . . A 49 ALA HB2 . 18390 1 534 . 1 1 49 49 ALA HB3 H 1 1.147 0.002 . 1 . . . A 49 ALA HB3 . 18390 1 535 . 1 1 49 49 ALA CA C 13 53.492 0.047 . 1 . . . A 49 ALA CA . 18390 1 536 . 1 1 49 49 ALA CB C 13 18.361 0.075 . 1 . . . A 49 ALA CB . 18390 1 537 . 1 1 49 49 ALA N N 15 125.452 0.033 . 1 . . . A 49 ALA N . 18390 1 538 . 1 1 50 50 GLY HA3 H 1 4.199 0.001 . 2 . . . A 50 GLY HA3 . 18390 1 539 . 1 1 50 50 GLY C C 13 175.551 0.100 . 1 . . . A 50 GLY C . 18390 1 540 . 1 1 50 50 GLY CA C 13 45.555 0.035 . 1 . . . A 50 GLY CA . 18390 1 541 . 1 1 51 51 TRP H H 1 8.068 0.003 . 1 . . . A 51 TRP H . 18390 1 542 . 1 1 51 51 TRP HA H 1 4.961 0.005 . 1 . . . A 51 TRP HA . 18390 1 543 . 1 1 51 51 TRP HB2 H 1 3.058 0.002 . 2 . . . A 51 TRP HB2 . 18390 1 544 . 1 1 51 51 TRP HB3 H 1 3.161 0.015 . 2 . . . A 51 TRP HB3 . 18390 1 545 . 1 1 51 51 TRP HD1 H 1 6.761 0.002 . 1 . . . A 51 TRP HD1 . 18390 1 546 . 1 1 51 51 TRP HE1 H 1 9.172 0.002 . 1 . . . A 51 TRP HE1 . 18390 1 547 . 1 1 51 51 TRP CA C 13 55.104 0.005 . 1 . . . A 51 TRP CA . 18390 1 548 . 1 1 51 51 TRP CB C 13 31.237 0.035 . 1 . . . A 51 TRP CB . 18390 1 549 . 1 1 51 51 TRP CD1 C 13 124.332 0.035 . 1 . . . A 51 TRP CD1 . 18390 1 550 . 1 1 51 51 TRP N N 15 122.122 0.018 . 1 . . . A 51 TRP N . 18390 1 551 . 1 1 51 51 TRP NE1 N 15 126.052 0.006 . 1 . . . A 51 TRP NE1 . 18390 1 552 . 1 1 53 53 LYS HA H 1 4.539 0.001 . 1 . . . A 53 LYS HA . 18390 1 553 . 1 1 53 53 LYS HB2 H 1 1.918 0.001 . 2 . . . A 53 LYS HB2 . 18390 1 554 . 1 1 53 53 LYS HB3 H 1 1.918 0.001 . 2 . . . A 53 LYS HB3 . 18390 1 555 . 1 1 53 53 LYS HG2 H 1 1.665 0.034 . 2 . . . A 53 LYS HG2 . 18390 1 556 . 1 1 53 53 LYS HG3 H 1 1.665 0.034 . 2 . . . A 53 LYS HG3 . 18390 1 557 . 1 1 53 53 LYS HD2 H 1 1.507 0.005 . 2 . . . A 53 LYS HD2 . 18390 1 558 . 1 1 53 53 LYS HD3 H 1 1.507 0.005 . 2 . . . A 53 LYS HD3 . 18390 1 559 . 1 1 53 53 LYS HE2 H 1 2.974 0.034 . 2 . . . A 53 LYS HE2 . 18390 1 560 . 1 1 53 53 LYS HE3 H 1 2.974 0.034 . 2 . . . A 53 LYS HE3 . 18390 1 561 . 1 1 53 53 LYS C C 13 178.701 0.100 . 1 . . . A 53 LYS C . 18390 1 562 . 1 1 53 53 LYS CA C 13 58.133 0.035 . 1 . . . A 53 LYS CA . 18390 1 563 . 1 1 53 53 LYS CB C 13 32.367 0.071 . 1 . . . A 53 LYS CB . 18390 1 564 . 1 1 53 53 LYS CG C 13 29.393 0.136 . 1 . . . A 53 LYS CG . 18390 1 565 . 1 1 53 53 LYS CD C 13 24.571 0.112 . 1 . . . A 53 LYS CD . 18390 1 566 . 1 1 53 53 LYS CE C 13 41.899 0.035 . 1 . . . A 53 LYS CE . 18390 1 567 . 1 1 54 54 ASN H H 1 8.436 0.004 . 1 . . . A 54 ASN H . 18390 1 568 . 1 1 54 54 ASN HA H 1 4.358 0.006 . 1 . . . A 54 ASN HA . 18390 1 569 . 1 1 54 54 ASN HB2 H 1 1.848 0.034 . 2 . . . A 54 ASN HB2 . 18390 1 570 . 1 1 54 54 ASN HB3 H 1 2.362 0.034 . 2 . . . A 54 ASN HB3 . 18390 1 571 . 1 1 54 54 ASN C C 13 176.691 0.100 . 1 . . . A 54 ASN C . 18390 1 572 . 1 1 54 54 ASN CA C 13 55.481 0.118 . 1 . . . A 54 ASN CA . 18390 1 573 . 1 1 54 54 ASN CB C 13 37.442 0.035 . 1 . . . A 54 ASN CB . 18390 1 574 . 1 1 54 54 ASN N N 15 117.944 0.045 . 1 . . . A 54 ASN N . 18390 1 575 . 1 1 55 55 TRP H H 1 7.625 0.007 . 1 . . . A 55 TRP H . 18390 1 576 . 1 1 55 55 TRP HA H 1 4.736 0.021 . 1 . . . A 55 TRP HA . 18390 1 577 . 1 1 55 55 TRP HB2 H 1 3.447 0.004 . 2 . . . A 55 TRP HB2 . 18390 1 578 . 1 1 55 55 TRP HB3 H 1 3.624 0.005 . 2 . . . A 55 TRP HB3 . 18390 1 579 . 1 1 55 55 TRP HD1 H 1 7.366 0.006 . 1 . . . A 55 TRP HD1 . 18390 1 580 . 1 1 55 55 TRP HE1 H 1 9.912 0.003 . 1 . . . A 55 TRP HE1 . 18390 1 581 . 1 1 55 55 TRP C C 13 176.142 0.100 . 1 . . . A 55 TRP C . 18390 1 582 . 1 1 55 55 TRP CB C 13 30.414 0.078 . 1 . . . A 55 TRP CB . 18390 1 583 . 1 1 55 55 TRP CD1 C 13 127.502 0.011 . 1 . . . A 55 TRP CD1 . 18390 1 584 . 1 1 55 55 TRP N N 15 118.384 0.050 . 1 . . . A 55 TRP N . 18390 1 585 . 1 1 55 55 TRP NE1 N 15 127.765 0.014 . 1 . . . A 55 TRP NE1 . 18390 1 586 . 1 1 56 56 ASP H H 1 7.554 0.005 . 1 . . . A 56 ASP H . 18390 1 587 . 1 1 56 56 ASP HA H 1 4.857 0.005 . 1 . . . A 56 ASP HA . 18390 1 588 . 1 1 56 56 ASP HB2 H 1 2.055 0.003 . 2 . . . A 56 ASP HB2 . 18390 1 589 . 1 1 56 56 ASP HB3 H 1 2.675 0.006 . 2 . . . A 56 ASP HB3 . 18390 1 590 . 1 1 56 56 ASP C C 13 178.016 0.100 . 1 . . . A 56 ASP C . 18390 1 591 . 1 1 56 56 ASP CA C 13 55.569 0.124 . 1 . . . A 56 ASP CA . 18390 1 592 . 1 1 56 56 ASP CB C 13 38.656 0.005 . 1 . . . A 56 ASP CB . 18390 1 593 . 1 1 56 56 ASP N N 15 121.933 0.034 . 1 . . . A 56 ASP N . 18390 1 594 . 1 1 57 57 GLU H H 1 7.735 0.005 . 1 . . . A 57 GLU H . 18390 1 595 . 1 1 57 57 GLU HA H 1 4.833 0.016 . 1 . . . A 57 GLU HA . 18390 1 596 . 1 1 57 57 GLU HB2 H 1 2.159 0.007 . 2 . . . A 57 GLU HB2 . 18390 1 597 . 1 1 57 57 GLU HB3 H 1 2.159 0.007 . 2 . . . A 57 GLU HB3 . 18390 1 598 . 1 1 57 57 GLU HG2 H 1 2.264 0.010 . 2 . . . A 57 GLU HG2 . 18390 1 599 . 1 1 57 57 GLU HG3 H 1 2.696 0.009 . 2 . . . A 57 GLU HG3 . 18390 1 600 . 1 1 57 57 GLU C C 13 175.753 0.100 . 1 . . . A 57 GLU C . 18390 1 601 . 1 1 57 57 GLU CA C 13 54.857 0.061 . 1 . . . A 57 GLU CA . 18390 1 602 . 1 1 57 57 GLU CG C 13 34.174 0.076 . 1 . . . A 57 GLU CG . 18390 1 603 . 1 1 57 57 GLU N N 15 117.357 0.034 . 1 . . . A 57 GLU N . 18390 1 604 . 1 1 58 58 TRP H H 1 8.842 0.003 . 1 . . . A 58 TRP H . 18390 1 605 . 1 1 58 58 TRP HA H 1 5.326 0.009 . 1 . . . A 58 TRP HA . 18390 1 606 . 1 1 58 58 TRP HB2 H 1 3.229 0.006 . 2 . . . A 58 TRP HB2 . 18390 1 607 . 1 1 58 58 TRP HB3 H 1 3.229 0.006 . 2 . . . A 58 TRP HB3 . 18390 1 608 . 1 1 58 58 TRP HD1 H 1 7.490 0.007 . 1 . . . A 58 TRP HD1 . 18390 1 609 . 1 1 58 58 TRP HE1 H 1 9.954 0.011 . 1 . . . A 58 TRP HE1 . 18390 1 610 . 1 1 58 58 TRP HZ2 H 1 7.197 0.002 . 1 . . . A 58 TRP HZ2 . 18390 1 611 . 1 1 58 58 TRP C C 13 178.360 0.100 . 1 . . . A 58 TRP C . 18390 1 612 . 1 1 58 58 TRP CA C 13 57.439 0.035 . 1 . . . A 58 TRP CA . 18390 1 613 . 1 1 58 58 TRP CB C 13 29.922 0.136 . 1 . . . A 58 TRP CB . 18390 1 614 . 1 1 58 58 TRP CD1 C 13 127.975 0.041 . 1 . . . A 58 TRP CD1 . 18390 1 615 . 1 1 58 58 TRP CZ2 C 13 114.632 0.021 . 1 . . . A 58 TRP CZ2 . 18390 1 616 . 1 1 58 58 TRP N N 15 122.189 0.030 . 1 . . . A 58 TRP N . 18390 1 617 . 1 1 58 58 TRP NE1 N 15 130.327 0.014 . 1 . . . A 58 TRP NE1 . 18390 1 618 . 1 1 59 59 VAL H H 1 10.069 0.009 . 1 . . . A 59 VAL H . 18390 1 619 . 1 1 59 59 VAL HA H 1 4.952 0.008 . 1 . . . A 59 VAL HA . 18390 1 620 . 1 1 59 59 VAL HB H 1 2.058 0.004 . 1 . . . A 59 VAL HB . 18390 1 621 . 1 1 59 59 VAL HG11 H 1 1.032 0.004 . 1 . . . A 59 VAL HG11 . 18390 1 622 . 1 1 59 59 VAL HG12 H 1 1.032 0.004 . 1 . . . A 59 VAL HG12 . 18390 1 623 . 1 1 59 59 VAL HG13 H 1 1.032 0.004 . 1 . . . A 59 VAL HG13 . 18390 1 624 . 1 1 59 59 VAL HG21 H 1 0.956 0.003 . 1 . . . A 59 VAL HG21 . 18390 1 625 . 1 1 59 59 VAL HG22 H 1 0.956 0.003 . 1 . . . A 59 VAL HG22 . 18390 1 626 . 1 1 59 59 VAL HG23 H 1 0.956 0.003 . 1 . . . A 59 VAL HG23 . 18390 1 627 . 1 1 59 59 VAL CA C 13 58.253 0.088 . 1 . . . A 59 VAL CA . 18390 1 628 . 1 1 59 59 VAL CB C 13 35.141 0.057 . 1 . . . A 59 VAL CB . 18390 1 629 . 1 1 59 59 VAL CG1 C 13 21.941 0.067 . 2 . . . A 59 VAL CG1 . 18390 1 630 . 1 1 59 59 VAL CG2 C 13 21.165 0.050 . 2 . . . A 59 VAL CG2 . 18390 1 631 . 1 1 59 59 VAL N N 15 122.442 0.041 . 1 . . . A 59 VAL N . 18390 1 632 . 1 1 60 60 PRO HA H 1 5.031 0.008 . 1 . . . A 60 PRO HA . 18390 1 633 . 1 1 60 60 PRO HB2 H 1 2.320 0.034 . 2 . . . A 60 PRO HB2 . 18390 1 634 . 1 1 60 60 PRO HB3 H 1 2.320 0.034 . 2 . . . A 60 PRO HB3 . 18390 1 635 . 1 1 60 60 PRO C C 13 179.825 0.100 . 1 . . . A 60 PRO C . 18390 1 636 . 1 1 60 60 PRO CA C 13 62.170 0.029 . 1 . . . A 60 PRO CA . 18390 1 637 . 1 1 60 60 PRO CB C 13 33.050 0.147 . 1 . . . A 60 PRO CB . 18390 1 638 . 1 1 60 60 PRO CG C 13 27.412 0.035 . 1 . . . A 60 PRO CG . 18390 1 639 . 1 1 61 61 GLU H H 1 8.645 0.006 . 1 . . . A 61 GLU H . 18390 1 640 . 1 1 61 61 GLU HA H 1 4.052 0.016 . 1 . . . A 61 GLU HA . 18390 1 641 . 1 1 61 61 GLU C C 13 177.060 0.100 . 1 . . . A 61 GLU C . 18390 1 642 . 1 1 61 61 GLU CA C 13 60.602 0.071 . 1 . . . A 61 GLU CA . 18390 1 643 . 1 1 61 61 GLU N N 15 118.470 0.014 . 1 . . . A 61 GLU N . 18390 1 644 . 1 1 62 62 ASN H H 1 8.065 0.012 . 1 . . . A 62 ASN H . 18390 1 645 . 1 1 62 62 ASN HA H 1 4.685 0.001 . 1 . . . A 62 ASN HA . 18390 1 646 . 1 1 62 62 ASN HB2 H 1 2.886 0.007 . 2 . . . A 62 ASN HB2 . 18390 1 647 . 1 1 62 62 ASN HB3 H 1 2.982 0.002 . 2 . . . A 62 ASN HB3 . 18390 1 648 . 1 1 62 62 ASN C C 13 177.720 0.100 . 1 . . . A 62 ASN C . 18390 1 649 . 1 1 62 62 ASN CA C 13 55.397 0.072 . 1 . . . A 62 ASN CA . 18390 1 650 . 1 1 62 62 ASN CB C 13 37.544 0.004 . 1 . . . A 62 ASN CB . 18390 1 651 . 1 1 62 62 ASN N N 15 109.601 0.076 . 1 . . . A 62 ASN N . 18390 1 652 . 1 1 63 63 ARG H H 1 8.186 0.004 . 1 . . . A 63 ARG H . 18390 1 653 . 1 1 63 63 ARG HA H 1 4.458 0.001 . 1 . . . A 63 ARG HA . 18390 1 654 . 1 1 63 63 ARG HB2 H 1 2.579 0.008 . 2 . . . A 63 ARG HB2 . 18390 1 655 . 1 1 63 63 ARG HB3 H 1 2.579 0.008 . 2 . . . A 63 ARG HB3 . 18390 1 656 . 1 1 63 63 ARG HG2 H 1 1.799 0.016 . 2 . . . A 63 ARG HG2 . 18390 1 657 . 1 1 63 63 ARG HG3 H 1 1.799 0.016 . 2 . . . A 63 ARG HG3 . 18390 1 658 . 1 1 63 63 ARG HD2 H 1 3.307 0.015 . 2 . . . A 63 ARG HD2 . 18390 1 659 . 1 1 63 63 ARG HD3 H 1 3.307 0.015 . 2 . . . A 63 ARG HD3 . 18390 1 660 . 1 1 63 63 ARG C C 13 174.172 0.100 . 1 . . . A 63 ARG C . 18390 1 661 . 1 1 63 63 ARG CA C 13 56.806 0.035 . 1 . . . A 63 ARG CA . 18390 1 662 . 1 1 63 63 ARG CB C 13 31.957 0.084 . 1 . . . A 63 ARG CB . 18390 1 663 . 1 1 63 63 ARG CG C 13 28.043 0.148 . 1 . . . A 63 ARG CG . 18390 1 664 . 1 1 63 63 ARG CD C 13 44.340 0.160 . 1 . . . A 63 ARG CD . 18390 1 665 . 1 1 63 63 ARG N N 15 119.388 0.044 . 1 . . . A 63 ARG N . 18390 1 666 . 1 1 64 64 VAL H H 1 7.736 0.004 . 1 . . . A 64 VAL H . 18390 1 667 . 1 1 64 64 VAL HA H 1 4.130 0.004 . 1 . . . A 64 VAL HA . 18390 1 668 . 1 1 64 64 VAL HB H 1 1.518 0.006 . 1 . . . A 64 VAL HB . 18390 1 669 . 1 1 64 64 VAL HG11 H 1 -0.499 0.007 . 1 . . . A 64 VAL HG11 . 18390 1 670 . 1 1 64 64 VAL HG12 H 1 -0.499 0.007 . 1 . . . A 64 VAL HG12 . 18390 1 671 . 1 1 64 64 VAL HG13 H 1 -0.499 0.007 . 1 . . . A 64 VAL HG13 . 18390 1 672 . 1 1 64 64 VAL HG21 H 1 0.593 0.009 . 1 . . . A 64 VAL HG21 . 18390 1 673 . 1 1 64 64 VAL HG22 H 1 0.593 0.009 . 1 . . . A 64 VAL HG22 . 18390 1 674 . 1 1 64 64 VAL HG23 H 1 0.593 0.009 . 1 . . . A 64 VAL HG23 . 18390 1 675 . 1 1 64 64 VAL C C 13 174.373 0.100 . 1 . . . A 64 VAL C . 18390 1 676 . 1 1 64 64 VAL CA C 13 62.217 0.030 . 1 . . . A 64 VAL CA . 18390 1 677 . 1 1 64 64 VAL CB C 13 32.526 0.072 . 1 . . . A 64 VAL CB . 18390 1 678 . 1 1 64 64 VAL CG1 C 13 20.920 0.031 . 2 . . . A 64 VAL CG1 . 18390 1 679 . 1 1 64 64 VAL CG2 C 13 22.640 0.043 . 2 . . . A 64 VAL CG2 . 18390 1 680 . 1 1 64 64 VAL N N 15 120.468 0.039 . 1 . . . A 64 VAL N . 18390 1 681 . 1 1 65 65 LEU H H 1 8.858 0.003 . 1 . . . A 65 LEU H . 18390 1 682 . 1 1 65 65 LEU HA H 1 4.860 0.034 . 1 . . . A 65 LEU HA . 18390 1 683 . 1 1 65 65 LEU HB2 H 1 1.383 0.013 . 2 . . . A 65 LEU HB2 . 18390 1 684 . 1 1 65 65 LEU HB3 H 1 1.534 0.034 . 2 . . . A 65 LEU HB3 . 18390 1 685 . 1 1 65 65 LEU HG H 1 1.499 0.004 . 1 . . . A 65 LEU HG . 18390 1 686 . 1 1 65 65 LEU HD11 H 1 0.559 0.017 . 1 . . . A 65 LEU HD11 . 18390 1 687 . 1 1 65 65 LEU HD12 H 1 0.559 0.017 . 1 . . . A 65 LEU HD12 . 18390 1 688 . 1 1 65 65 LEU HD13 H 1 0.559 0.017 . 1 . . . A 65 LEU HD13 . 18390 1 689 . 1 1 65 65 LEU HD21 H 1 0.863 0.004 . 1 . . . A 65 LEU HD21 . 18390 1 690 . 1 1 65 65 LEU HD22 H 1 0.863 0.004 . 1 . . . A 65 LEU HD22 . 18390 1 691 . 1 1 65 65 LEU HD23 H 1 0.863 0.004 . 1 . . . A 65 LEU HD23 . 18390 1 692 . 1 1 65 65 LEU C C 13 177.573 0.100 . 1 . . . A 65 LEU C . 18390 1 693 . 1 1 65 65 LEU CA C 13 52.867 0.035 . 1 . . . A 65 LEU CA . 18390 1 694 . 1 1 65 65 LEU CB C 13 45.882 0.057 . 1 . . . A 65 LEU CB . 18390 1 695 . 1 1 65 65 LEU CG C 13 26.904 0.086 . 1 . . . A 65 LEU CG . 18390 1 696 . 1 1 65 65 LEU CD1 C 13 26.135 0.107 . 2 . . . A 65 LEU CD1 . 18390 1 697 . 1 1 65 65 LEU CD2 C 13 24.025 0.038 . 2 . . . A 65 LEU CD2 . 18390 1 698 . 1 1 65 65 LEU N N 15 124.312 0.028 . 1 . . . A 65 LEU N . 18390 1 699 . 1 1 66 66 LYS H H 1 8.577 0.003 . 1 . . . A 66 LYS H . 18390 1 700 . 1 1 66 66 LYS HA H 1 4.565 0.002 . 1 . . . A 66 LYS HA . 18390 1 701 . 1 1 66 66 LYS C C 13 178.208 0.100 . 1 . . . A 66 LYS C . 18390 1 702 . 1 1 66 66 LYS CA C 13 54.712 0.035 . 1 . . . A 66 LYS CA . 18390 1 703 . 1 1 66 66 LYS CB C 13 33.354 0.035 . 1 . . . A 66 LYS CB . 18390 1 704 . 1 1 66 66 LYS CG C 13 23.945 0.035 . 1 . . . A 66 LYS CG . 18390 1 705 . 1 1 66 66 LYS CD C 13 28.700 0.035 . 1 . . . A 66 LYS CD . 18390 1 706 . 1 1 66 66 LYS N N 15 119.103 0.019 . 1 . . . A 66 LYS N . 18390 1 707 . 1 1 67 67 TYR H H 1 8.953 0.009 . 1 . . . A 67 TYR H . 18390 1 708 . 1 1 67 67 TYR HA H 1 3.988 0.005 . 1 . . . A 67 TYR HA . 18390 1 709 . 1 1 67 67 TYR HB2 H 1 2.398 0.034 . 2 . . . A 67 TYR HB2 . 18390 1 710 . 1 1 67 67 TYR HB3 H 1 3.366 0.007 . 2 . . . A 67 TYR HB3 . 18390 1 711 . 1 1 67 67 TYR HD1 H 1 6.706 0.004 . 3 . . . A 67 TYR HD1 . 18390 1 712 . 1 1 67 67 TYR HD2 H 1 6.706 0.004 . 3 . . . A 67 TYR HD2 . 18390 1 713 . 1 1 67 67 TYR HE1 H 1 6.561 0.002 . 3 . . . A 67 TYR HE1 . 18390 1 714 . 1 1 67 67 TYR HE2 H 1 6.561 0.002 . 3 . . . A 67 TYR HE2 . 18390 1 715 . 1 1 67 67 TYR C C 13 174.986 0.100 . 1 . . . A 67 TYR C . 18390 1 716 . 1 1 67 67 TYR CA C 13 59.137 0.100 . 1 . . . A 67 TYR CA . 18390 1 717 . 1 1 67 67 TYR CB C 13 38.365 0.088 . 1 . . . A 67 TYR CB . 18390 1 718 . 1 1 67 67 TYR CD2 C 13 131.887 0.035 . 3 . . . A 67 TYR CD2 . 18390 1 719 . 1 1 67 67 TYR CE2 C 13 118.142 0.015 . 3 . . . A 67 TYR CE2 . 18390 1 720 . 1 1 67 67 TYR N N 15 123.006 0.026 . 1 . . . A 67 TYR N . 18390 1 721 . 1 1 68 68 ASN H H 1 7.058 0.003 . 1 . . . A 68 ASN H . 18390 1 722 . 1 1 68 68 ASN HA H 1 4.696 0.005 . 1 . . . A 68 ASN HA . 18390 1 723 . 1 1 68 68 ASN HB2 H 1 2.973 0.034 . 2 . . . A 68 ASN HB2 . 18390 1 724 . 1 1 68 68 ASN HB3 H 1 3.140 0.034 . 2 . . . A 68 ASN HB3 . 18390 1 725 . 1 1 68 68 ASN C C 13 175.523 0.100 . 1 . . . A 68 ASN C . 18390 1 726 . 1 1 68 68 ASN CA C 13 51.472 0.110 . 1 . . . A 68 ASN CA . 18390 1 727 . 1 1 68 68 ASN CB C 13 39.299 0.035 . 1 . . . A 68 ASN CB . 18390 1 728 . 1 1 68 68 ASN N N 15 124.241 0.018 . 1 . . . A 68 ASN N . 18390 1 729 . 1 1 69 69 ASP H H 1 8.531 0.004 . 1 . . . A 69 ASP H . 18390 1 730 . 1 1 69 69 ASP HA H 1 4.202 0.008 . 1 . . . A 69 ASP HA . 18390 1 731 . 1 1 69 69 ASP HB2 H 1 2.598 0.005 . 2 . . . A 69 ASP HB2 . 18390 1 732 . 1 1 69 69 ASP HB3 H 1 2.598 0.005 . 2 . . . A 69 ASP HB3 . 18390 1 733 . 1 1 69 69 ASP C C 13 179.461 0.100 . 1 . . . A 69 ASP C . 18390 1 734 . 1 1 69 69 ASP CA C 13 57.880 0.112 . 1 . . . A 69 ASP CA . 18390 1 735 . 1 1 69 69 ASP CB C 13 40.983 0.089 . 1 . . . A 69 ASP CB . 18390 1 736 . 1 1 69 69 ASP N N 15 118.358 0.027 . 1 . . . A 69 ASP N . 18390 1 737 . 1 1 70 70 ASP H H 1 8.169 0.004 . 1 . . . A 70 ASP H . 18390 1 738 . 1 1 70 70 ASP HA H 1 4.308 0.005 . 1 . . . A 70 ASP HA . 18390 1 739 . 1 1 70 70 ASP HB2 H 1 2.519 0.005 . 2 . . . A 70 ASP HB2 . 18390 1 740 . 1 1 70 70 ASP HB3 H 1 2.519 0.005 . 2 . . . A 70 ASP HB3 . 18390 1 741 . 1 1 70 70 ASP C C 13 179.983 0.100 . 1 . . . A 70 ASP C . 18390 1 742 . 1 1 70 70 ASP CA C 13 57.543 0.095 . 1 . . . A 70 ASP CA . 18390 1 743 . 1 1 70 70 ASP CB C 13 40.539 0.095 . 1 . . . A 70 ASP CB . 18390 1 744 . 1 1 70 70 ASP N N 15 119.894 0.022 . 1 . . . A 70 ASP N . 18390 1 745 . 1 1 71 71 ASN H H 1 8.651 0.003 . 1 . . . A 71 ASN H . 18390 1 746 . 1 1 71 71 ASN HA H 1 4.620 0.002 . 1 . . . A 71 ASN HA . 18390 1 747 . 1 1 71 71 ASN HB2 H 1 2.334 0.034 . 2 . . . A 71 ASN HB2 . 18390 1 748 . 1 1 71 71 ASN HB3 H 1 2.721 0.034 . 2 . . . A 71 ASN HB3 . 18390 1 749 . 1 1 71 71 ASN C C 13 178.683 0.100 . 1 . . . A 71 ASN C . 18390 1 750 . 1 1 71 71 ASN CA C 13 54.994 0.035 . 1 . . . A 71 ASN CA . 18390 1 751 . 1 1 71 71 ASN CB C 13 38.329 0.092 . 1 . . . A 71 ASN CB . 18390 1 752 . 1 1 71 71 ASN N N 15 119.689 0.024 . 1 . . . A 71 ASN N . 18390 1 753 . 1 1 72 72 VAL H H 1 8.263 0.006 . 1 . . . A 72 VAL H . 18390 1 754 . 1 1 72 72 VAL HA H 1 3.352 0.005 . 1 . . . A 72 VAL HA . 18390 1 755 . 1 1 72 72 VAL HB H 1 1.998 0.004 . 1 . . . A 72 VAL HB . 18390 1 756 . 1 1 72 72 VAL HG11 H 1 0.817 0.002 . 1 . . . A 72 VAL HG11 . 18390 1 757 . 1 1 72 72 VAL HG12 H 1 0.817 0.002 . 1 . . . A 72 VAL HG12 . 18390 1 758 . 1 1 72 72 VAL HG13 H 1 0.817 0.002 . 1 . . . A 72 VAL HG13 . 18390 1 759 . 1 1 72 72 VAL HG21 H 1 0.635 0.002 . 1 . . . A 72 VAL HG21 . 18390 1 760 . 1 1 72 72 VAL HG22 H 1 0.635 0.002 . 1 . . . A 72 VAL HG22 . 18390 1 761 . 1 1 72 72 VAL HG23 H 1 0.635 0.002 . 1 . . . A 72 VAL HG23 . 18390 1 762 . 1 1 72 72 VAL C C 13 179.626 0.100 . 1 . . . A 72 VAL C . 18390 1 763 . 1 1 72 72 VAL CA C 13 67.294 0.113 . 1 . . . A 72 VAL CA . 18390 1 764 . 1 1 72 72 VAL CB C 13 31.853 0.063 . 1 . . . A 72 VAL CB . 18390 1 765 . 1 1 72 72 VAL CG1 C 13 21.288 0.028 . 2 . . . A 72 VAL CG1 . 18390 1 766 . 1 1 72 72 VAL CG2 C 13 23.871 0.098 . 2 . . . A 72 VAL CG2 . 18390 1 767 . 1 1 72 72 VAL N N 15 123.638 0.022 . 1 . . . A 72 VAL N . 18390 1 768 . 1 1 73 73 LYS H H 1 7.765 0.003 . 1 . . . A 73 LYS H . 18390 1 769 . 1 1 73 73 LYS HA H 1 4.047 0.006 . 1 . . . A 73 LYS HA . 18390 1 770 . 1 1 73 73 LYS HB2 H 1 1.924 0.007 . 2 . . . A 73 LYS HB2 . 18390 1 771 . 1 1 73 73 LYS HB3 H 1 1.924 0.007 . 2 . . . A 73 LYS HB3 . 18390 1 772 . 1 1 73 73 LYS HG2 H 1 1.400 0.011 . 2 . . . A 73 LYS HG2 . 18390 1 773 . 1 1 73 73 LYS HG3 H 1 1.551 0.004 . 2 . . . A 73 LYS HG3 . 18390 1 774 . 1 1 73 73 LYS HD2 H 1 1.675 0.004 . 2 . . . A 73 LYS HD2 . 18390 1 775 . 1 1 73 73 LYS HD3 H 1 1.675 0.004 . 2 . . . A 73 LYS HD3 . 18390 1 776 . 1 1 73 73 LYS HE2 H 1 2.955 0.007 . 2 . . . A 73 LYS HE2 . 18390 1 777 . 1 1 73 73 LYS HE3 H 1 2.955 0.007 . 2 . . . A 73 LYS HE3 . 18390 1 778 . 1 1 73 73 LYS C C 13 180.154 0.100 . 1 . . . A 73 LYS C . 18390 1 779 . 1 1 73 73 LYS CA C 13 59.880 0.107 . 1 . . . A 73 LYS CA . 18390 1 780 . 1 1 73 73 LYS CB C 13 32.059 0.125 . 1 . . . A 73 LYS CB . 18390 1 781 . 1 1 73 73 LYS CG C 13 25.441 0.108 . 1 . . . A 73 LYS CG . 18390 1 782 . 1 1 73 73 LYS CD C 13 29.475 0.142 . 1 . . . A 73 LYS CD . 18390 1 783 . 1 1 73 73 LYS CE C 13 42.219 0.191 . 1 . . . A 73 LYS CE . 18390 1 784 . 1 1 73 73 LYS N N 15 121.004 0.032 . 1 . . . A 73 LYS N . 18390 1 785 . 1 1 74 74 ARG H H 1 7.674 0.005 . 1 . . . A 74 ARG H . 18390 1 786 . 1 1 74 74 ARG HA H 1 4.080 0.003 . 1 . . . A 74 ARG HA . 18390 1 787 . 1 1 74 74 ARG HB2 H 1 1.904 0.034 . 2 . . . A 74 ARG HB2 . 18390 1 788 . 1 1 74 74 ARG HB3 H 1 1.904 0.034 . 2 . . . A 74 ARG HB3 . 18390 1 789 . 1 1 74 74 ARG HG2 H 1 1.531 0.013 . 2 . . . A 74 ARG HG2 . 18390 1 790 . 1 1 74 74 ARG HG3 H 1 1.531 0.013 . 2 . . . A 74 ARG HG3 . 18390 1 791 . 1 1 74 74 ARG HD2 H 1 3.052 0.002 . 2 . . . A 74 ARG HD2 . 18390 1 792 . 1 1 74 74 ARG HD3 H 1 3.052 0.002 . 2 . . . A 74 ARG HD3 . 18390 1 793 . 1 1 74 74 ARG C C 13 179.025 0.100 . 1 . . . A 74 ARG C . 18390 1 794 . 1 1 74 74 ARG CA C 13 58.979 0.035 . 1 . . . A 74 ARG CA . 18390 1 795 . 1 1 74 74 ARG CB C 13 30.396 0.045 . 1 . . . A 74 ARG CB . 18390 1 796 . 1 1 74 74 ARG CG C 13 26.764 0.013 . 1 . . . A 74 ARG CG . 18390 1 797 . 1 1 74 74 ARG CD C 13 44.050 0.131 . 1 . . . A 74 ARG CD . 18390 1 798 . 1 1 74 74 ARG N N 15 119.703 0.018 . 1 . . . A 74 ARG N . 18390 1 799 . 1 1 75 75 ARG H H 1 7.940 0.008 . 1 . . . A 75 ARG H . 18390 1 800 . 1 1 75 75 ARG HA H 1 3.733 0.006 . 1 . . . A 75 ARG HA . 18390 1 801 . 1 1 75 75 ARG HB2 H 1 1.396 0.010 . 2 . . . A 75 ARG HB2 . 18390 1 802 . 1 1 75 75 ARG HB3 H 1 1.396 0.010 . 2 . . . A 75 ARG HB3 . 18390 1 803 . 1 1 75 75 ARG HG2 H 1 1.702 0.012 . 2 . . . A 75 ARG HG2 . 18390 1 804 . 1 1 75 75 ARG HG3 H 1 1.702 0.012 . 2 . . . A 75 ARG HG3 . 18390 1 805 . 1 1 75 75 ARG HD2 H 1 2.902 0.004 . 2 . . . A 75 ARG HD2 . 18390 1 806 . 1 1 75 75 ARG HD3 H 1 2.902 0.004 . 2 . . . A 75 ARG HD3 . 18390 1 807 . 1 1 75 75 ARG C C 13 179.431 0.100 . 1 . . . A 75 ARG C . 18390 1 808 . 1 1 75 75 ARG CA C 13 59.682 0.135 . 1 . . . A 75 ARG CA . 18390 1 809 . 1 1 75 75 ARG CB C 13 29.737 0.035 . 1 . . . A 75 ARG CB . 18390 1 810 . 1 1 75 75 ARG CG C 13 26.508 0.079 . 1 . . . A 75 ARG CG . 18390 1 811 . 1 1 75 75 ARG CD C 13 43.876 0.077 . 1 . . . A 75 ARG CD . 18390 1 812 . 1 1 75 75 ARG N N 15 119.121 0.028 . 1 . . . A 75 ARG N . 18390 1 813 . 1 1 76 76 GLN H H 1 8.017 0.009 . 1 . . . A 76 GLN H . 18390 1 814 . 1 1 76 76 GLN HA H 1 4.025 0.005 . 1 . . . A 76 GLN HA . 18390 1 815 . 1 1 76 76 GLN HB2 H 1 2.093 0.003 . 2 . . . A 76 GLN HB2 . 18390 1 816 . 1 1 76 76 GLN HB3 H 1 2.093 0.003 . 2 . . . A 76 GLN HB3 . 18390 1 817 . 1 1 76 76 GLN HG2 H 1 2.394 0.034 . 2 . . . A 76 GLN HG2 . 18390 1 818 . 1 1 76 76 GLN HG3 H 1 2.499 0.009 . 2 . . . A 76 GLN HG3 . 18390 1 819 . 1 1 76 76 GLN C C 13 179.529 0.100 . 1 . . . A 76 GLN C . 18390 1 820 . 1 1 76 76 GLN CA C 13 58.707 0.117 . 1 . . . A 76 GLN CA . 18390 1 821 . 1 1 76 76 GLN CB C 13 28.812 0.035 . 1 . . . A 76 GLN CB . 18390 1 822 . 1 1 76 76 GLN CG C 13 34.049 0.120 . 1 . . . A 76 GLN CG . 18390 1 823 . 1 1 76 76 GLN N N 15 118.873 0.020 . 1 . . . A 76 GLN N . 18390 1 824 . 1 1 77 77 GLU H H 1 8.316 0.003 . 1 . . . A 77 GLU H . 18390 1 825 . 1 1 77 77 GLU HB2 H 1 2.058 0.034 . 2 . . . A 77 GLU HB2 . 18390 1 826 . 1 1 77 77 GLU HB3 H 1 2.058 0.034 . 2 . . . A 77 GLU HB3 . 18390 1 827 . 1 1 77 77 GLU C C 13 180.403 0.100 . 1 . . . A 77 GLU C . 18390 1 828 . 1 1 77 77 GLU CA C 13 59.043 0.035 . 1 . . . A 77 GLU CA . 18390 1 829 . 1 1 77 77 GLU CB C 13 29.802 0.035 . 1 . . . A 77 GLU CB . 18390 1 830 . 1 1 77 77 GLU CG C 13 36.151 0.035 . 1 . . . A 77 GLU CG . 18390 1 831 . 1 1 77 77 GLU N N 15 120.708 0.013 . 1 . . . A 77 GLU N . 18390 1 832 . 1 1 78 78 LEU H H 1 8.208 0.009 . 1 . . . A 78 LEU H . 18390 1 833 . 1 1 78 78 LEU HA H 1 4.106 0.002 . 1 . . . A 78 LEU HA . 18390 1 834 . 1 1 78 78 LEU HB2 H 1 1.529 0.008 . 2 . . . A 78 LEU HB2 . 18390 1 835 . 1 1 78 78 LEU HB3 H 1 1.780 0.005 . 2 . . . A 78 LEU HB3 . 18390 1 836 . 1 1 78 78 LEU HG H 1 1.786 0.010 . 1 . . . A 78 LEU HG . 18390 1 837 . 1 1 78 78 LEU HD11 H 1 0.970 0.008 . 1 . . . A 78 LEU HD11 . 18390 1 838 . 1 1 78 78 LEU HD12 H 1 0.970 0.008 . 1 . . . A 78 LEU HD12 . 18390 1 839 . 1 1 78 78 LEU HD13 H 1 0.970 0.008 . 1 . . . A 78 LEU HD13 . 18390 1 840 . 1 1 78 78 LEU HD21 H 1 0.954 0.006 . 1 . . . A 78 LEU HD21 . 18390 1 841 . 1 1 78 78 LEU HD22 H 1 0.954 0.006 . 1 . . . A 78 LEU HD22 . 18390 1 842 . 1 1 78 78 LEU HD23 H 1 0.954 0.006 . 1 . . . A 78 LEU HD23 . 18390 1 843 . 1 1 78 78 LEU C C 13 180.119 0.100 . 1 . . . A 78 LEU C . 18390 1 844 . 1 1 78 78 LEU CA C 13 57.698 0.140 . 1 . . . A 78 LEU CA . 18390 1 845 . 1 1 78 78 LEU CB C 13 42.333 0.051 . 1 . . . A 78 LEU CB . 18390 1 846 . 1 1 78 78 LEU CG C 13 27.411 0.018 . 1 . . . A 78 LEU CG . 18390 1 847 . 1 1 78 78 LEU CD1 C 13 25.443 0.073 . 2 . . . A 78 LEU CD1 . 18390 1 848 . 1 1 78 78 LEU CD2 C 13 23.328 0.043 . 2 . . . A 78 LEU CD2 . 18390 1 849 . 1 1 78 78 LEU N N 15 120.223 0.015 . 1 . . . A 78 LEU N . 18390 1 850 . 1 1 79 79 ALA H H 1 7.799 0.004 . 1 . . . A 79 ALA H . 18390 1 851 . 1 1 79 79 ALA HA H 1 4.060 0.001 . 1 . . . A 79 ALA HA . 18390 1 852 . 1 1 79 79 ALA HB1 H 1 1.447 0.005 . 1 . . . A 79 ALA HB1 . 18390 1 853 . 1 1 79 79 ALA HB2 H 1 1.447 0.005 . 1 . . . A 79 ALA HB2 . 18390 1 854 . 1 1 79 79 ALA HB3 H 1 1.447 0.005 . 1 . . . A 79 ALA HB3 . 18390 1 855 . 1 1 79 79 ALA C C 13 180.866 0.100 . 1 . . . A 79 ALA C . 18390 1 856 . 1 1 79 79 ALA CA C 13 54.592 0.127 . 1 . . . A 79 ALA CA . 18390 1 857 . 1 1 79 79 ALA CB C 13 18.249 0.047 . 1 . . . A 79 ALA CB . 18390 1 858 . 1 1 79 79 ALA N N 15 120.746 0.020 . 1 . . . A 79 ALA N . 18390 1 859 . 1 1 80 80 ARG H H 1 7.735 0.003 . 1 . . . A 80 ARG H . 18390 1 860 . 1 1 80 80 ARG HA H 1 4.191 0.004 . 1 . . . A 80 ARG HA . 18390 1 861 . 1 1 80 80 ARG HB2 H 1 1.939 0.006 . 2 . . . A 80 ARG HB2 . 18390 1 862 . 1 1 80 80 ARG HB3 H 1 1.939 0.006 . 2 . . . A 80 ARG HB3 . 18390 1 863 . 1 1 80 80 ARG HG2 H 1 1.682 0.034 . 2 . . . A 80 ARG HG2 . 18390 1 864 . 1 1 80 80 ARG HG3 H 1 1.682 0.034 . 2 . . . A 80 ARG HG3 . 18390 1 865 . 1 1 80 80 ARG HD2 H 1 3.208 0.005 . 2 . . . A 80 ARG HD2 . 18390 1 866 . 1 1 80 80 ARG HD3 H 1 3.208 0.005 . 2 . . . A 80 ARG HD3 . 18390 1 867 . 1 1 80 80 ARG C C 13 179.491 0.100 . 1 . . . A 80 ARG C . 18390 1 868 . 1 1 80 80 ARG CA C 13 58.248 0.092 . 1 . . . A 80 ARG CA . 18390 1 869 . 1 1 80 80 ARG CB C 13 30.509 0.179 . 1 . . . A 80 ARG CB . 18390 1 870 . 1 1 80 80 ARG CG C 13 27.398 0.064 . 1 . . . A 80 ARG CG . 18390 1 871 . 1 1 80 80 ARG CD C 13 43.610 0.035 . 1 . . . A 80 ARG CD . 18390 1 872 . 1 1 80 80 ARG N N 15 117.793 0.030 . 1 . . . A 80 ARG N . 18390 1 873 . 1 1 81 81 GLN H H 1 8.019 0.003 . 1 . . . A 81 GLN H . 18390 1 874 . 1 1 81 81 GLN HA H 1 4.218 0.034 . 1 . . . A 81 GLN HA . 18390 1 875 . 1 1 81 81 GLN HB2 H 1 2.223 0.003 . 2 . . . A 81 GLN HB2 . 18390 1 876 . 1 1 81 81 GLN HB3 H 1 2.223 0.003 . 2 . . . A 81 GLN HB3 . 18390 1 877 . 1 1 81 81 GLN HG2 H 1 2.497 0.001 . 2 . . . A 81 GLN HG2 . 18390 1 878 . 1 1 81 81 GLN HG3 H 1 2.497 0.001 . 2 . . . A 81 GLN HG3 . 18390 1 879 . 1 1 81 81 GLN C C 13 178.306 0.100 . 1 . . . A 81 GLN C . 18390 1 880 . 1 1 81 81 GLN CA C 13 57.577 0.035 . 1 . . . A 81 GLN CA . 18390 1 881 . 1 1 81 81 GLN CB C 13 29.209 0.035 . 1 . . . A 81 GLN CB . 18390 1 882 . 1 1 81 81 GLN CG C 13 34.113 0.093 . 1 . . . A 81 GLN CG . 18390 1 883 . 1 1 81 81 GLN N N 15 118.900 0.020 . 1 . . . A 81 GLN N . 18390 1 884 . 1 1 82 82 CYS H H 1 8.059 0.005 . 1 . . . A 82 CYS H . 18390 1 885 . 1 1 82 82 CYS HA H 1 4.548 0.004 . 1 . . . A 82 CYS HA . 18390 1 886 . 1 1 82 82 CYS HB2 H 1 2.930 0.002 . 2 . . . A 82 CYS HB2 . 18390 1 887 . 1 1 82 82 CYS HB3 H 1 3.038 0.001 . 2 . . . A 82 CYS HB3 . 18390 1 888 . 1 1 82 82 CYS C C 13 176.106 0.100 . 1 . . . A 82 CYS C . 18390 1 889 . 1 1 82 82 CYS CA C 13 59.732 0.011 . 1 . . . A 82 CYS CA . 18390 1 890 . 1 1 82 82 CYS CB C 13 28.405 0.015 . 1 . . . A 82 CYS CB . 18390 1 891 . 1 1 82 82 CYS N N 15 116.462 0.035 . 1 . . . A 82 CYS N . 18390 1 892 . 1 1 83 83 GLY H H 1 8.000 0.004 . 1 . . . A 83 GLY H . 18390 1 893 . 1 1 83 83 GLY N N 15 109.160 0.001 . 1 . . . A 83 GLY N . 18390 1 stop_ save_