data_27950 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27950 _Entry.Title ; Backbone assignments of apo Vaccinia H1-Related (VHR) protein tyrosine phosphatase (PTP) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-06-18 _Entry.Accession_date 2019-06-18 _Entry.Last_release_date 2019-06-19 _Entry.Original_release_date 2019-06-19 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'Solution state NMR backbone (H, N, CA, CB, C) assignments of apo Vaccinia H1-Related (VHR) protein tyrosine phosphatase (PTP).' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Joseph Loria . P. . . 27950 2 Victor Beaumont . A. . . 27950 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27950 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 473 27950 '15N chemical shifts' 166 27950 '1H chemical shifts' 166 27950 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2019-07-16 . original BMRB . 27950 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 27950 _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 state backbone assignments of Vaccinia H1-Related (VHR) protein tyrosine phosphatase (PTP) ; _Citation.Status 'in preparation' _Citation.Type 'BMRB only' _Citation.Journal_abbrev . _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Joseph Loria . P. . . 27950 1 2 Victor Beaumont . A. . . 27950 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27950 _Assembly.ID 1 _Assembly.Name 'Vaccinia H1-Related PTP (VHR)' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 20500 _Assembly.Enzyme_commission_number ec:3.1.3.48 _Assembly.Details polypeptide _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 'Vaccinia H1-Related PTP (VHR)' 1 $Vaccinia_H1-Related_PTP A . yes native no no 1 phosphatase 'human dual specific protein tyrosine phosphatase' 27950 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1J4X . . 'X-ray crystallography' 2.75 'same enzyme' . 27950 1 yes PDB 1VHR . . 'X-ray crystallography' 2.1 'Same enzyme' . 27950 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'phosphatase; hydrolase' 27950 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Vaccinia_H1-Related_PTP _Entity.Sf_category entity _Entity.Sf_framecode Vaccinia_H1-Related_PTP _Entity.Entry_ID 27950 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Vaccinia_H1-Related_PTP _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MSGSFELSVQDLNDLLSDGS GCYSLPSQPCNEVTPRIYVG NASVAQDIPKLQKLGITHVL NAAEGRSFMHVNTNANFYKD SGITYLGIKANDTQEFNLSA YFERAADFIDQALAQKNGRV LVHCREGYSRSPTLVIAYLM MRQKMDVKSALSIVRQNREI GPNDGFLAQLCQLNDRLAKE GKLKP ; _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 185 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Dual specific human phosphatase; hydrolase' 27950 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 . 27950 1 2 . SER . 27950 1 3 . GLY . 27950 1 4 . SER . 27950 1 5 . PHE . 27950 1 6 . GLU . 27950 1 7 . LEU . 27950 1 8 . SER . 27950 1 9 . VAL . 27950 1 10 . GLN . 27950 1 11 . ASP . 27950 1 12 . LEU . 27950 1 13 . ASN . 27950 1 14 . ASP . 27950 1 15 . LEU . 27950 1 16 . LEU . 27950 1 17 . SER . 27950 1 18 . ASP . 27950 1 19 . GLY . 27950 1 20 . SER . 27950 1 21 . GLY . 27950 1 22 . CYS . 27950 1 23 . TYR . 27950 1 24 . SER . 27950 1 25 . LEU . 27950 1 26 . PRO . 27950 1 27 . SER . 27950 1 28 . GLN . 27950 1 29 . PRO . 27950 1 30 . CYS . 27950 1 31 . ASN . 27950 1 32 . GLU . 27950 1 33 . VAL . 27950 1 34 . THR . 27950 1 35 . PRO . 27950 1 36 . ARG . 27950 1 37 . ILE . 27950 1 38 . TYR . 27950 1 39 . VAL . 27950 1 40 . GLY . 27950 1 41 . ASN . 27950 1 42 . ALA . 27950 1 43 . SER . 27950 1 44 . VAL . 27950 1 45 . ALA . 27950 1 46 . GLN . 27950 1 47 . ASP . 27950 1 48 . ILE . 27950 1 49 . PRO . 27950 1 50 . LYS . 27950 1 51 . LEU . 27950 1 52 . GLN . 27950 1 53 . LYS . 27950 1 54 . LEU . 27950 1 55 . GLY . 27950 1 56 . ILE . 27950 1 57 . THR . 27950 1 58 . HIS . 27950 1 59 . VAL . 27950 1 60 . LEU . 27950 1 61 . ASN . 27950 1 62 . ALA . 27950 1 63 . ALA . 27950 1 64 . GLU . 27950 1 65 . GLY . 27950 1 66 . ARG . 27950 1 67 . SER . 27950 1 68 . PHE . 27950 1 69 . MET . 27950 1 70 . HIS . 27950 1 71 . VAL . 27950 1 72 . ASN . 27950 1 73 . THR . 27950 1 74 . ASN . 27950 1 75 . ALA . 27950 1 76 . ASN . 27950 1 77 . PHE . 27950 1 78 . TYR . 27950 1 79 . LYS . 27950 1 80 . ASP . 27950 1 81 . SER . 27950 1 82 . GLY . 27950 1 83 . ILE . 27950 1 84 . THR . 27950 1 85 . TYR . 27950 1 86 . LEU . 27950 1 87 . GLY . 27950 1 88 . ILE . 27950 1 89 . LYS . 27950 1 90 . ALA . 27950 1 91 . ASN . 27950 1 92 . ASP . 27950 1 93 . THR . 27950 1 94 . GLN . 27950 1 95 . GLU . 27950 1 96 . PHE . 27950 1 97 . ASN . 27950 1 98 . LEU . 27950 1 99 . SER . 27950 1 100 . ALA . 27950 1 101 . TYR . 27950 1 102 . PHE . 27950 1 103 . GLU . 27950 1 104 . ARG . 27950 1 105 . ALA . 27950 1 106 . ALA . 27950 1 107 . ASP . 27950 1 108 . PHE . 27950 1 109 . ILE . 27950 1 110 . ASP . 27950 1 111 . GLN . 27950 1 112 . ALA . 27950 1 113 . LEU . 27950 1 114 . ALA . 27950 1 115 . GLN . 27950 1 116 . LYS . 27950 1 117 . ASN . 27950 1 118 . GLY . 27950 1 119 . ARG . 27950 1 120 . VAL . 27950 1 121 . LEU . 27950 1 122 . VAL . 27950 1 123 . HIS . 27950 1 124 . CYS . 27950 1 125 . ARG . 27950 1 126 . GLU . 27950 1 127 . GLY . 27950 1 128 . TYR . 27950 1 129 . SER . 27950 1 130 . ARG . 27950 1 131 . SER . 27950 1 132 . PRO . 27950 1 133 . THR . 27950 1 134 . LEU . 27950 1 135 . VAL . 27950 1 136 . ILE . 27950 1 137 . ALA . 27950 1 138 . TYR . 27950 1 139 . LEU . 27950 1 140 . MET . 27950 1 141 . MET . 27950 1 142 . ARG . 27950 1 143 . GLN . 27950 1 144 . LYS . 27950 1 145 . MET . 27950 1 146 . ASP . 27950 1 147 . VAL . 27950 1 148 . LYS . 27950 1 149 . SER . 27950 1 150 . ALA . 27950 1 151 . LEU . 27950 1 152 . SER . 27950 1 153 . ILE . 27950 1 154 . VAL . 27950 1 155 . ARG . 27950 1 156 . GLN . 27950 1 157 . ASN . 27950 1 158 . ARG . 27950 1 159 . GLU . 27950 1 160 . ILE . 27950 1 161 . GLY . 27950 1 162 . PRO . 27950 1 163 . ASN . 27950 1 164 . ASP . 27950 1 165 . GLY . 27950 1 166 . PHE . 27950 1 167 . LEU . 27950 1 168 . ALA . 27950 1 169 . GLN . 27950 1 170 . LEU . 27950 1 171 . CYS . 27950 1 172 . GLN . 27950 1 173 . LEU . 27950 1 174 . ASN . 27950 1 175 . ASP . 27950 1 176 . ARG . 27950 1 177 . LEU . 27950 1 178 . ALA . 27950 1 179 . LYS . 27950 1 180 . GLU . 27950 1 181 . GLY . 27950 1 182 . LYS . 27950 1 183 . LEU . 27950 1 184 . LYS . 27950 1 185 . PRO . 27950 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 27950 1 . SER 2 2 27950 1 . GLY 3 3 27950 1 . SER 4 4 27950 1 . PHE 5 5 27950 1 . GLU 6 6 27950 1 . LEU 7 7 27950 1 . SER 8 8 27950 1 . VAL 9 9 27950 1 . GLN 10 10 27950 1 . ASP 11 11 27950 1 . LEU 12 12 27950 1 . ASN 13 13 27950 1 . ASP 14 14 27950 1 . LEU 15 15 27950 1 . LEU 16 16 27950 1 . SER 17 17 27950 1 . ASP 18 18 27950 1 . GLY 19 19 27950 1 . SER 20 20 27950 1 . GLY 21 21 27950 1 . CYS 22 22 27950 1 . TYR 23 23 27950 1 . SER 24 24 27950 1 . LEU 25 25 27950 1 . PRO 26 26 27950 1 . SER 27 27 27950 1 . GLN 28 28 27950 1 . PRO 29 29 27950 1 . CYS 30 30 27950 1 . ASN 31 31 27950 1 . GLU 32 32 27950 1 . VAL 33 33 27950 1 . THR 34 34 27950 1 . PRO 35 35 27950 1 . ARG 36 36 27950 1 . ILE 37 37 27950 1 . TYR 38 38 27950 1 . VAL 39 39 27950 1 . GLY 40 40 27950 1 . ASN 41 41 27950 1 . ALA 42 42 27950 1 . SER 43 43 27950 1 . VAL 44 44 27950 1 . ALA 45 45 27950 1 . GLN 46 46 27950 1 . ASP 47 47 27950 1 . ILE 48 48 27950 1 . PRO 49 49 27950 1 . LYS 50 50 27950 1 . LEU 51 51 27950 1 . GLN 52 52 27950 1 . LYS 53 53 27950 1 . LEU 54 54 27950 1 . GLY 55 55 27950 1 . ILE 56 56 27950 1 . THR 57 57 27950 1 . HIS 58 58 27950 1 . VAL 59 59 27950 1 . LEU 60 60 27950 1 . ASN 61 61 27950 1 . ALA 62 62 27950 1 . ALA 63 63 27950 1 . GLU 64 64 27950 1 . GLY 65 65 27950 1 . ARG 66 66 27950 1 . SER 67 67 27950 1 . PHE 68 68 27950 1 . MET 69 69 27950 1 . HIS 70 70 27950 1 . VAL 71 71 27950 1 . ASN 72 72 27950 1 . THR 73 73 27950 1 . ASN 74 74 27950 1 . ALA 75 75 27950 1 . ASN 76 76 27950 1 . PHE 77 77 27950 1 . TYR 78 78 27950 1 . LYS 79 79 27950 1 . ASP 80 80 27950 1 . SER 81 81 27950 1 . GLY 82 82 27950 1 . ILE 83 83 27950 1 . THR 84 84 27950 1 . TYR 85 85 27950 1 . LEU 86 86 27950 1 . GLY 87 87 27950 1 . ILE 88 88 27950 1 . LYS 89 89 27950 1 . ALA 90 90 27950 1 . ASN 91 91 27950 1 . ASP 92 92 27950 1 . THR 93 93 27950 1 . GLN 94 94 27950 1 . GLU 95 95 27950 1 . PHE 96 96 27950 1 . ASN 97 97 27950 1 . LEU 98 98 27950 1 . SER 99 99 27950 1 . ALA 100 100 27950 1 . TYR 101 101 27950 1 . PHE 102 102 27950 1 . GLU 103 103 27950 1 . ARG 104 104 27950 1 . ALA 105 105 27950 1 . ALA 106 106 27950 1 . ASP 107 107 27950 1 . PHE 108 108 27950 1 . ILE 109 109 27950 1 . ASP 110 110 27950 1 . GLN 111 111 27950 1 . ALA 112 112 27950 1 . LEU 113 113 27950 1 . ALA 114 114 27950 1 . GLN 115 115 27950 1 . LYS 116 116 27950 1 . ASN 117 117 27950 1 . GLY 118 118 27950 1 . ARG 119 119 27950 1 . VAL 120 120 27950 1 . LEU 121 121 27950 1 . VAL 122 122 27950 1 . HIS 123 123 27950 1 . CYS 124 124 27950 1 . ARG 125 125 27950 1 . GLU 126 126 27950 1 . GLY 127 127 27950 1 . TYR 128 128 27950 1 . SER 129 129 27950 1 . ARG 130 130 27950 1 . SER 131 131 27950 1 . PRO 132 132 27950 1 . THR 133 133 27950 1 . LEU 134 134 27950 1 . VAL 135 135 27950 1 . ILE 136 136 27950 1 . ALA 137 137 27950 1 . TYR 138 138 27950 1 . LEU 139 139 27950 1 . MET 140 140 27950 1 . MET 141 141 27950 1 . ARG 142 142 27950 1 . GLN 143 143 27950 1 . LYS 144 144 27950 1 . MET 145 145 27950 1 . ASP 146 146 27950 1 . VAL 147 147 27950 1 . LYS 148 148 27950 1 . SER 149 149 27950 1 . ALA 150 150 27950 1 . LEU 151 151 27950 1 . SER 152 152 27950 1 . ILE 153 153 27950 1 . VAL 154 154 27950 1 . ARG 155 155 27950 1 . GLN 156 156 27950 1 . ASN 157 157 27950 1 . ARG 158 158 27950 1 . GLU 159 159 27950 1 . ILE 160 160 27950 1 . GLY 161 161 27950 1 . PRO 162 162 27950 1 . ASN 163 163 27950 1 . ASP 164 164 27950 1 . GLY 165 165 27950 1 . PHE 166 166 27950 1 . LEU 167 167 27950 1 . ALA 168 168 27950 1 . GLN 169 169 27950 1 . LEU 170 170 27950 1 . CYS 171 171 27950 1 . GLN 172 172 27950 1 . LEU 173 173 27950 1 . ASN 174 174 27950 1 . ASP 175 175 27950 1 . ARG 176 176 27950 1 . LEU 177 177 27950 1 . ALA 178 178 27950 1 . LYS 179 179 27950 1 . GLU 180 180 27950 1 . GLY 181 181 27950 1 . LYS 182 182 27950 1 . LEU 183 183 27950 1 . LYS 184 184 27950 1 . PRO 185 185 27950 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 27950 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Vaccinia_H1-Related_PTP . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27950 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 27950 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Vaccinia_H1-Related_PTP . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . . . . pet43.1b . . . 27950 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27950 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Sample concentration determined by absorbance at 280 nm and published extinction coefficient of 11500 (M * cm)^-1.' _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Vaccinia H1-Related PTP' '[U-100% 13C; U-100% 15N]' . . 1 $Vaccinia_H1-Related_PTP . . 540 . . uM . . . . 27950 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 27950 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 . pH 27950 1 pressure 1 . atm 27950 1 temperature 293 . K 27950 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 27950 _Software.ID 1 _Software.Type . _Software.Name VNMRJ _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 27950 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27950 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27950 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27950 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 27950 2 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 27950 _Software.ID 3 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 27950 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27950 3 'peak picking' 27950 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27950 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'pulse field gradient and triple resonance probe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27950 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'pulse field gradient and triple resonance cryo probe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model DD2 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27950 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 'pulse field gradient and triple resonance probe' . . 27950 1 2 spectrometer_2 Varian DD2 . 800 'pulse field gradient and triple resonance cryo probe' . . 27950 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 27950 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27950 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27950 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27950 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27950 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27950 1 6 '3D HN(COCA)CB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27950 1 7 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27950 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 27950 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.83 internal indirect 0.251449530 . . . . . 27950 1 H 1 water protons . . . . ppm 4.83 internal direct 1.000000000 . . . . . 27950 1 N 15 water protons . . . . ppm 4.83 internal indirect 0.101329118 . . . . . 27950 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 27950 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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' . . . 27950 1 2 '3D HNCACB' . . . 27950 1 3 '3D HNCA' . . . 27950 1 4 '3D HNCO' . . . 27950 1 5 '3D HN(CO)CA' . . . 27950 1 6 '3D HN(COCA)CB' . . . 27950 1 7 '3D HCACO' . . . 27950 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.Ambiguity_set_ID _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 2 2 SER H H 1 8.521 0.020 . 1 . . . . . 2 SER H . 27950 1 2 . 1 1 2 2 SER C C 13 174.886 0.3 . 1 . . . . . 2 SER C . 27950 1 3 . 1 1 2 2 SER CA C 13 58.215 0.3 . 1 . . . . . 2 SER CA . 27950 1 4 . 1 1 2 2 SER CB C 13 62.985 0.3 . 1 . . . . . 2 SER CB . 27950 1 5 . 1 1 2 2 SER N N 15 117.971 0.3 . 1 . . . . . 2 SER N . 27950 1 6 . 1 1 3 3 GLY H H 1 8.408 0.020 . 1 . . . . . 3 GLY H . 27950 1 7 . 1 1 3 3 GLY C C 13 173.971 0.3 . 1 . . . . . 3 GLY C . 27950 1 8 . 1 1 3 3 GLY CA C 13 44.812 0.3 . 1 . . . . . 3 GLY CA . 27950 1 9 . 1 1 3 3 GLY N N 15 111.551 0.3 . 1 . . . . . 3 GLY N . 27950 1 10 . 1 1 4 4 SER H H 1 8.082 0.020 . 1 . . . . . 4 SER H . 27950 1 11 . 1 1 4 4 SER C C 13 174.086 0.3 . 1 . . . . . 4 SER C . 27950 1 12 . 1 1 4 4 SER CA C 13 57.801 0.3 . 1 . . . . . 4 SER CA . 27950 1 13 . 1 1 4 4 SER CB C 13 63.083 0.3 . 1 . . . . . 4 SER CB . 27950 1 14 . 1 1 4 4 SER N N 15 116.077 0.3 . 1 . . . . . 4 SER N . 27950 1 15 . 1 1 5 5 PHE H H 1 8.270 0.020 . 1 . . . . . 5 PHE H . 27950 1 16 . 1 1 5 5 PHE C C 13 175.461 0.3 . 1 . . . . . 5 PHE C . 27950 1 17 . 1 1 5 5 PHE CA C 13 57.192 0.3 . 1 . . . . . 5 PHE CA . 27950 1 18 . 1 1 5 5 PHE CB C 13 38.633 0.3 . 1 . . . . . 5 PHE CB . 27950 1 19 . 1 1 5 5 PHE N N 15 121.803 0.3 . 1 . . . . . 5 PHE N . 27950 1 20 . 1 1 6 6 GLU H H 1 8.347 0.020 . 1 . . . . . 6 GLU H . 27950 1 21 . 1 1 6 6 GLU C C 13 176.242 0.3 . 1 . . . . . 6 GLU C . 27950 1 22 . 1 1 6 6 GLU CA C 13 57.006 0.3 . 1 . . . . . 6 GLU CA . 27950 1 23 . 1 1 6 6 GLU CB C 13 28.868 0.3 . 1 . . . . . 6 GLU CB . 27950 1 24 . 1 1 6 6 GLU N N 15 122.251 0.3 . 1 . . . . . 6 GLU N . 27950 1 25 . 1 1 7 7 LEU H H 1 8.151 0.020 . 1 . . . . . 7 LEU H . 27950 1 26 . 1 1 7 7 LEU C C 13 176.482 0.3 . 1 . . . . . 7 LEU C . 27950 1 27 . 1 1 7 7 LEU CA C 13 54.940 0.3 . 1 . . . . . 7 LEU CA . 27950 1 28 . 1 1 7 7 LEU CB C 13 41.960 0.3 . 1 . . . . . 7 LEU CB . 27950 1 29 . 1 1 7 7 LEU N N 15 123.596 0.3 . 1 . . . . . 7 LEU N . 27950 1 30 . 1 1 8 8 SER H H 1 8.734 0.020 . 1 . . . . . 8 SER H . 27950 1 31 . 1 1 8 8 SER C C 13 175.413 0.3 . 1 . . . . . 8 SER C . 27950 1 32 . 1 1 8 8 SER CB C 13 65.756 0.3 . 1 . . . . . 8 SER CB . 27950 1 33 . 1 1 8 8 SER N N 15 118.861 0.3 . 1 . . . . . 8 SER N . 27950 1 34 . 1 1 9 9 VAL H H 1 8.522 0.020 . 1 . . . . . 9 VAL H . 27950 1 35 . 1 1 9 9 VAL C C 13 177.881 0.3 . 1 . . . . . 9 VAL C . 27950 1 36 . 1 1 9 9 VAL CA C 13 66.665 0.3 . 1 . . . . . 9 VAL CA . 27950 1 37 . 1 1 9 9 VAL CB C 13 30.817 0.3 . 1 . . . . . 9 VAL CB . 27950 1 38 . 1 1 9 9 VAL N N 15 121.716 0.3 . 1 . . . . . 9 VAL N . 27950 1 39 . 1 1 10 10 GLN H H 1 8.123 0.020 . 1 . . . . . 10 GLN H . 27950 1 40 . 1 1 10 10 GLN C C 13 177.787 0.3 . 1 . . . . . 10 GLN C . 27950 1 41 . 1 1 10 10 GLN CA C 13 58.220 0.3 . 1 . . . . . 10 GLN CA . 27950 1 42 . 1 1 10 10 GLN CB C 13 27.144 0.3 . 1 . . . . . 10 GLN CB . 27950 1 43 . 1 1 10 10 GLN N N 15 119.881 0.3 . 1 . . . . . 10 GLN N . 27950 1 44 . 1 1 11 11 ASP H H 1 7.734 0.020 . 1 . . . . . 11 ASP H . 27950 1 45 . 1 1 11 11 ASP C C 13 179.381 0.3 . 1 . . . . . 11 ASP C . 27950 1 46 . 1 1 11 11 ASP CA C 13 57.055 0.3 . 1 . . . . . 11 ASP CA . 27950 1 47 . 1 1 11 11 ASP CB C 13 40.157 0.3 . 1 . . . . . 11 ASP CB . 27950 1 48 . 1 1 11 11 ASP N N 15 118.651 0.3 . 1 . . . . . 11 ASP N . 27950 1 49 . 1 1 12 12 LEU H H 1 7.568 0.020 . 1 . . . . . 12 LEU H . 27950 1 50 . 1 1 12 12 LEU C C 13 178.537 0.3 . 1 . . . . . 12 LEU C . 27950 1 51 . 1 1 12 12 LEU CA C 13 56.930 0.3 . 1 . . . . . 12 LEU CA . 27950 1 52 . 1 1 12 12 LEU CB C 13 39.144 0.3 . 1 . . . . . 12 LEU CB . 27950 1 53 . 1 1 12 12 LEU N N 15 118.506 0.3 . 1 . . . . . 12 LEU N . 27950 1 54 . 1 1 13 13 ASN H H 1 8.559 0.020 . 1 . . . . . 13 ASN H . 27950 1 55 . 1 1 13 13 ASN C C 13 178.851 0.3 . 1 . . . . . 13 ASN C . 27950 1 56 . 1 1 13 13 ASN CA C 13 56.525 0.3 . 1 . . . . . 13 ASN CA . 27950 1 57 . 1 1 13 13 ASN CB C 13 38.109 0.3 . 1 . . . . . 13 ASN CB . 27950 1 58 . 1 1 13 13 ASN N N 15 119.454 0.3 . 1 . . . . . 13 ASN N . 27950 1 59 . 1 1 14 14 ASP H H 1 8.491 0.020 . 1 . . . . . 14 ASP H . 27950 1 60 . 1 1 14 14 ASP C C 13 178.706 0.3 . 1 . . . . . 14 ASP C . 27950 1 61 . 1 1 14 14 ASP CA C 13 56.891 0.3 . 1 . . . . . 14 ASP CA . 27950 1 62 . 1 1 14 14 ASP CB C 13 38.928 0.3 . 1 . . . . . 14 ASP CB . 27950 1 63 . 1 1 14 14 ASP N N 15 121.413 0.3 . 1 . . . . . 14 ASP N . 27950 1 64 . 1 1 15 15 LEU H H 1 7.352 0.020 . 1 . . . . . 15 LEU H . 27950 1 65 . 1 1 15 15 LEU C C 13 179.139 0.3 . 1 . . . . . 15 LEU C . 27950 1 66 . 1 1 15 15 LEU CA C 13 56.962 0.3 . 1 . . . . . 15 LEU CA . 27950 1 67 . 1 1 15 15 LEU CB C 13 41.213 0.3 . 1 . . . . . 15 LEU CB . 27950 1 68 . 1 1 15 15 LEU N N 15 121.142 0.3 . 1 . . . . . 15 LEU N . 27950 1 69 . 1 1 16 16 LEU H H 1 7.829 0.020 . 1 . . . . . 16 LEU H . 27950 1 70 . 1 1 16 16 LEU C C 13 177.908 0.3 . 1 . . . . . 16 LEU C . 27950 1 71 . 1 1 16 16 LEU CA C 13 56.098 0.3 . 1 . . . . . 16 LEU CA . 27950 1 72 . 1 1 16 16 LEU CB C 13 41.329 0.3 . 1 . . . . . 16 LEU CB . 27950 1 73 . 1 1 16 16 LEU N N 15 118.304 0.3 . 1 . . . . . 16 LEU N . 27950 1 74 . 1 1 17 17 SER H H 1 7.776 0.020 . 1 . . . . . 17 SER H . 27950 1 75 . 1 1 17 17 SER C C 13 174.523 0.3 . 1 . . . . . 17 SER C . 27950 1 76 . 1 1 17 17 SER CA C 13 58.453 0.3 . 1 . . . . . 17 SER CA . 27950 1 77 . 1 1 17 17 SER CB C 13 63.415 0.3 . 1 . . . . . 17 SER CB . 27950 1 78 . 1 1 17 17 SER N N 15 114.385 0.3 . 1 . . . . . 17 SER N . 27950 1 79 . 1 1 18 18 ASP H H 1 7.949 0.020 . 1 . . . . . 18 ASP H . 27950 1 80 . 1 1 18 18 ASP C C 13 177.231 0.3 . 1 . . . . . 18 ASP C . 27950 1 81 . 1 1 18 18 ASP CA C 13 54.023 0.3 . 1 . . . . . 18 ASP CA . 27950 1 82 . 1 1 18 18 ASP CB C 13 40.179 0.3 . 1 . . . . . 18 ASP CB . 27950 1 83 . 1 1 18 18 ASP N N 15 122.680 0.3 . 1 . . . . . 18 ASP N . 27950 1 84 . 1 1 19 19 GLY H H 1 8.462 0.020 . 1 . . . . . 19 GLY H . 27950 1 85 . 1 1 19 19 GLY C C 13 175.075 0.3 . 1 . . . . . 19 GLY C . 27950 1 86 . 1 1 19 19 GLY CA C 13 45.513 0.3 . 1 . . . . . 19 GLY CA . 27950 1 87 . 1 1 19 19 GLY N N 15 110.178 0.3 . 1 . . . . . 19 GLY N . 27950 1 88 . 1 1 20 20 SER H H 1 8.307 0.020 . 1 . . . . . 20 SER H . 27950 1 89 . 1 1 20 20 SER C C 13 175.369 0.3 . 1 . . . . . 20 SER C . 27950 1 90 . 1 1 20 20 SER CA C 13 58.772 0.3 . 1 . . . . . 20 SER CA . 27950 1 91 . 1 1 20 20 SER CB C 13 63.291 0.3 . 1 . . . . . 20 SER CB . 27950 1 92 . 1 1 20 20 SER N N 15 116.771 0.3 . 1 . . . . . 20 SER N . 27950 1 93 . 1 1 21 21 GLY H H 1 8.365 0.020 . 1 . . . . . 21 GLY H . 27950 1 94 . 1 1 21 21 GLY C C 13 173.822 0.3 . 1 . . . . . 21 GLY C . 27950 1 95 . 1 1 21 21 GLY CA C 13 45.050 0.3 . 1 . . . . . 21 GLY CA . 27950 1 96 . 1 1 21 21 GLY N N 15 111.074 0.3 . 1 . . . . . 21 GLY N . 27950 1 97 . 1 1 22 22 CYS H H 1 7.843 0.020 . 1 . . . . . 22 CYS H . 27950 1 98 . 1 1 22 22 CYS C C 13 174.040 0.3 . 1 . . . . . 22 CYS C . 27950 1 99 . 1 1 22 22 CYS CA C 13 57.666 0.3 . 1 . . . . . 22 CYS CA . 27950 1 100 . 1 1 22 22 CYS CB C 13 28.280 0.3 . 1 . . . . . 22 CYS CB . 27950 1 101 . 1 1 22 22 CYS N N 15 118.535 0.3 . 1 . . . . . 22 CYS N . 27950 1 102 . 1 1 23 23 TYR H H 1 8.402 0.020 . 1 . . . . . 23 TYR H . 27950 1 103 . 1 1 23 23 TYR C C 13 176.095 0.3 . 1 . . . . . 23 TYR C . 27950 1 104 . 1 1 23 23 TYR CA C 13 56.890 0.3 . 1 . . . . . 23 TYR CA . 27950 1 105 . 1 1 23 23 TYR CB C 13 37.497 0.3 . 1 . . . . . 23 TYR CB . 27950 1 106 . 1 1 23 23 TYR N N 15 123.952 0.3 . 1 . . . . . 23 TYR N . 27950 1 107 . 1 1 24 24 SER H H 1 8.398 0.020 . 1 . . . . . 24 SER H . 27950 1 108 . 1 1 24 24 SER C C 13 172.691 0.3 . 1 . . . . . 24 SER C . 27950 1 109 . 1 1 24 24 SER CA C 13 57.901 0.3 . 1 . . . . . 24 SER CA . 27950 1 110 . 1 1 24 24 SER CB C 13 63.403 0.3 . 1 . . . . . 24 SER CB . 27950 1 111 . 1 1 24 24 SER N N 15 118.247 0.3 . 1 . . . . . 24 SER N . 27950 1 112 . 1 1 25 25 LEU H H 1 8.098 0.020 . 1 . . . . . 25 LEU H . 27950 1 113 . 1 1 25 25 LEU C C 13 175.590 0.3 . 1 . . . . . 25 LEU C . 27950 1 114 . 1 1 25 25 LEU CA C 13 51.820 0.3 . 1 . . . . . 25 LEU CA . 27950 1 115 . 1 1 25 25 LEU CB C 13 42.266 0.3 . 1 . . . . . 25 LEU CB . 27950 1 116 . 1 1 25 25 LEU N N 15 123.891 0.3 . 1 . . . . . 25 LEU N . 27950 1 117 . 1 1 27 27 SER H H 1 8.533 0.020 . 1 . . . . . 27 SER H . 27950 1 118 . 1 1 27 27 SER C C 13 174.692 0.3 . 1 . . . . . 27 SER C . 27950 1 119 . 1 1 27 27 SER CA C 13 58.676 0.3 . 1 . . . . . 27 SER CA . 27950 1 120 . 1 1 27 27 SER CB C 13 62.785 0.3 . 1 . . . . . 27 SER CB . 27950 1 121 . 1 1 27 27 SER N N 15 118.796 0.3 . 1 . . . . . 27 SER N . 27950 1 122 . 1 1 28 28 GLN H H 1 8.852 0.020 . 1 . . . . . 28 GLN H . 27950 1 123 . 1 1 28 28 GLN C C 13 175.430 0.3 . 1 . . . . . 28 GLN C . 27950 1 124 . 1 1 28 28 GLN CA C 13 52.751 0.3 . 1 . . . . . 28 GLN CA . 27950 1 125 . 1 1 28 28 GLN CB C 13 29.528 0.3 . 1 . . . . . 28 GLN CB . 27950 1 126 . 1 1 28 28 GLN N N 15 123.139 0.3 . 1 . . . . . 28 GLN N . 27950 1 127 . 1 1 30 30 CYS H H 1 7.108 0.020 . 1 . . . . . 30 CYS H . 27950 1 128 . 1 1 30 30 CYS C C 13 172.121 0.3 . 1 . . . . . 30 CYS C . 27950 1 129 . 1 1 30 30 CYS CA C 13 55.490 0.3 . 1 . . . . . 30 CYS CA . 27950 1 130 . 1 1 30 30 CYS CB C 13 30.401 0.3 . 1 . . . . . 30 CYS CB . 27950 1 131 . 1 1 30 30 CYS N N 15 107.026 0.3 . 1 . . . . . 30 CYS N . 27950 1 132 . 1 1 31 31 ASN H H 1 8.678 0.020 . 1 . . . . . 31 ASN H . 27950 1 133 . 1 1 31 31 ASN C C 13 172.419 0.3 . 1 . . . . . 31 ASN C . 27950 1 134 . 1 1 31 31 ASN CA C 13 53.458 0.3 . 1 . . . . . 31 ASN CA . 27950 1 135 . 1 1 31 31 ASN CB C 13 44.028 0.3 . 1 . . . . . 31 ASN CB . 27950 1 136 . 1 1 31 31 ASN N N 15 117.149 0.3 . 1 . . . . . 31 ASN N . 27950 1 137 . 1 1 32 32 GLU H H 1 9.035 0.020 . 1 . . . . . 32 GLU H . 27950 1 138 . 1 1 32 32 GLU C C 13 176.320 0.3 . 1 . . . . . 32 GLU C . 27950 1 139 . 1 1 32 32 GLU CA C 13 55.318 0.3 . 1 . . . . . 32 GLU CA . 27950 1 140 . 1 1 32 32 GLU CB C 13 28.186 0.3 . 1 . . . . . 32 GLU CB . 27950 1 141 . 1 1 32 32 GLU N N 15 127.298 0.3 . 1 . . . . . 32 GLU N . 27950 1 142 . 1 1 33 33 VAL H H 1 8.574 0.020 . 1 . . . . . 33 VAL H . 27950 1 143 . 1 1 33 33 VAL C C 13 173.910 0.3 . 1 . . . . . 33 VAL C . 27950 1 144 . 1 1 33 33 VAL CA C 13 62.040 0.3 . 1 . . . . . 33 VAL CA . 27950 1 145 . 1 1 33 33 VAL CB C 13 30.596 0.3 . 1 . . . . . 33 VAL CB . 27950 1 146 . 1 1 33 33 VAL N N 15 123.298 0.3 . 1 . . . . . 33 VAL N . 27950 1 147 . 1 1 34 34 THR H H 1 7.902 0.020 . 1 . . . . . 34 THR H . 27950 1 148 . 1 1 34 34 THR C C 13 170.916 0.3 . 1 . . . . . 34 THR C . 27950 1 149 . 1 1 34 34 THR CA C 13 60.080 0.3 . 1 . . . . . 34 THR CA . 27950 1 150 . 1 1 34 34 THR CB C 13 69.223 0.3 . 1 . . . . . 34 THR CB . 27950 1 151 . 1 1 34 34 THR N N 15 117.277 0.3 . 1 . . . . . 34 THR N . 27950 1 152 . 1 1 36 36 ARG H H 1 9.944 0.020 . 1 . . . . . 36 ARG H . 27950 1 153 . 1 1 36 36 ARG C C 13 173.315 0.3 . 1 . . . . . 36 ARG C . 27950 1 154 . 1 1 36 36 ARG CA C 13 59.392 0.3 . 1 . . . . . 36 ARG CA . 27950 1 155 . 1 1 36 36 ARG CB C 13 29.978 0.3 . 1 . . . . . 36 ARG CB . 27950 1 156 . 1 1 36 36 ARG N N 15 117.372 0.3 . 1 . . . . . 36 ARG N . 27950 1 157 . 1 1 37 37 ILE H H 1 8.399 0.020 . 1 . . . . . 37 ILE H . 27950 1 158 . 1 1 37 37 ILE C C 13 174.016 0.3 . 1 . . . . . 37 ILE C . 27950 1 159 . 1 1 37 37 ILE CA C 13 61.042 0.3 . 1 . . . . . 37 ILE CA . 27950 1 160 . 1 1 37 37 ILE CB C 13 37.320 0.3 . 1 . . . . . 37 ILE CB . 27950 1 161 . 1 1 37 37 ILE N N 15 118.647 0.3 . 1 . . . . . 37 ILE N . 27950 1 162 . 1 1 38 38 TYR H H 1 9.486 0.020 . 1 . . . . . 38 TYR H . 27950 1 163 . 1 1 38 38 TYR C C 13 175.504 0.3 . 1 . . . . . 38 TYR C . 27950 1 164 . 1 1 38 38 TYR CA C 13 55.098 0.3 . 1 . . . . . 38 TYR CA . 27950 1 165 . 1 1 38 38 TYR CB C 13 40.129 0.3 . 1 . . . . . 38 TYR CB . 27950 1 166 . 1 1 38 38 TYR N N 15 126.126 0.3 . 1 . . . . . 38 TYR N . 27950 1 167 . 1 1 39 39 VAL H H 1 8.693 0.020 . 1 . . . . . 39 VAL H . 27950 1 168 . 1 1 39 39 VAL C C 13 176.143 0.3 . 1 . . . . . 39 VAL C . 27950 1 169 . 1 1 39 39 VAL CA C 13 59.414 0.3 . 1 . . . . . 39 VAL CA . 27950 1 170 . 1 1 39 39 VAL CB C 13 33.808 0.3 . 1 . . . . . 39 VAL CB . 27950 1 171 . 1 1 39 39 VAL N N 15 120.733 0.3 . 1 . . . . . 39 VAL N . 27950 1 172 . 1 1 40 40 GLY H H 1 7.536 0.020 . 1 . . . . . 40 GLY H . 27950 1 173 . 1 1 40 40 GLY C C 13 170.074 0.3 . 1 . . . . . 40 GLY C . 27950 1 174 . 1 1 40 40 GLY CA C 13 45.544 0.3 . 1 . . . . . 40 GLY CA . 27950 1 175 . 1 1 40 40 GLY N N 15 110.842 0.3 . 1 . . . . . 40 GLY N . 27950 1 176 . 1 1 41 41 ASN H H 1 7.558 0.020 . 1 . . . . . 41 ASN H . 27950 1 177 . 1 1 41 41 ASN C C 13 174.741 0.3 . 1 . . . . . 41 ASN C . 27950 1 178 . 1 1 41 41 ASN CA C 13 50.008 0.3 . 1 . . . . . 41 ASN CA . 27950 1 179 . 1 1 41 41 ASN CB C 13 39.606 0.3 . 1 . . . . . 41 ASN CB . 27950 1 180 . 1 1 41 41 ASN N N 15 117.480 0.3 . 1 . . . . . 41 ASN N . 27950 1 181 . 1 1 42 42 ALA H H 1 7.685 0.020 . 1 . . . . . 42 ALA H . 27950 1 182 . 1 1 42 42 ALA C C 13 179.160 0.3 . 1 . . . . . 42 ALA C . 27950 1 183 . 1 1 42 42 ALA CA C 13 54.125 0.3 . 1 . . . . . 42 ALA CA . 27950 1 184 . 1 1 42 42 ALA CB C 13 19.576 0.3 . 1 . . . . . 42 ALA CB . 27950 1 185 . 1 1 42 42 ALA N N 15 117.678 0.3 . 1 . . . . . 42 ALA N . 27950 1 186 . 1 1 43 43 SER H H 1 7.748 0.020 . 1 . . . . . 43 SER H . 27950 1 187 . 1 1 43 43 SER C C 13 177.691 0.3 . 1 . . . . . 43 SER C . 27950 1 188 . 1 1 43 43 SER CA C 13 60.817 0.3 . 1 . . . . . 43 SER CA . 27950 1 189 . 1 1 43 43 SER CB C 13 61.965 0.3 . 1 . . . . . 43 SER CB . 27950 1 190 . 1 1 43 43 SER N N 15 113.691 0.3 . 1 . . . . . 43 SER N . 27950 1 191 . 1 1 44 44 VAL H H 1 7.627 0.020 . 1 . . . . . 44 VAL H . 27950 1 192 . 1 1 44 44 VAL C C 13 175.993 0.3 . 1 . . . . . 44 VAL C . 27950 1 193 . 1 1 44 44 VAL CA C 13 63.998 0.3 . 1 . . . . . 44 VAL CA . 27950 1 194 . 1 1 44 44 VAL CB C 13 30.297 0.3 . 1 . . . . . 44 VAL CB . 27950 1 195 . 1 1 44 44 VAL N N 15 121.804 0.3 . 1 . . . . . 44 VAL N . 27950 1 196 . 1 1 45 45 ALA H H 1 6.536 0.020 . 1 . . . . . 45 ALA H . 27950 1 197 . 1 1 45 45 ALA C C 13 178.676 0.3 . 1 . . . . . 45 ALA C . 27950 1 198 . 1 1 45 45 ALA CA C 13 53.714 0.3 . 1 . . . . . 45 ALA CA . 27950 1 199 . 1 1 45 45 ALA CB C 13 15.816 0.3 . 1 . . . . . 45 ALA CB . 27950 1 200 . 1 1 45 45 ALA N N 15 119.255 0.3 . 1 . . . . . 45 ALA N . 27950 1 201 . 1 1 46 46 GLN H H 1 6.958 0.020 . 1 . . . . . 46 GLN H . 27950 1 202 . 1 1 46 46 GLN C C 13 173.097 0.3 . 1 . . . . . 46 GLN C . 27950 1 203 . 1 1 46 46 GLN CA C 13 54.845 0.3 . 1 . . . . . 46 GLN CA . 27950 1 204 . 1 1 46 46 GLN CB C 13 29.464 0.3 . 1 . . . . . 46 GLN CB . 27950 1 205 . 1 1 46 46 GLN N N 15 111.812 0.3 . 1 . . . . . 46 GLN N . 27950 1 206 . 1 1 47 47 ASP H H 1 7.377 0.020 . 1 . . . . . 47 ASP H . 27950 1 207 . 1 1 47 47 ASP C C 13 174.304 0.3 . 1 . . . . . 47 ASP C . 27950 1 208 . 1 1 47 47 ASP CA C 13 51.119 0.3 . 1 . . . . . 47 ASP CA . 27950 1 209 . 1 1 47 47 ASP CB C 13 39.954 0.3 . 1 . . . . . 47 ASP CB . 27950 1 210 . 1 1 47 47 ASP N N 15 124.406 0.3 . 1 . . . . . 47 ASP N . 27950 1 211 . 1 1 48 48 ILE H H 1 8.439 0.020 . 1 . . . . . 48 ILE H . 27950 1 212 . 1 1 48 48 ILE C C 13 175.014 0.3 . 1 . . . . . 48 ILE C . 27950 1 213 . 1 1 48 48 ILE CA C 13 66.457 0.3 . 1 . . . . . 48 ILE CA . 27950 1 214 . 1 1 48 48 ILE CB C 13 33.863 0.3 . 1 . . . . . 48 ILE CB . 27950 1 215 . 1 1 48 48 ILE N N 15 122.483 0.3 . 1 . . . . . 48 ILE N . 27950 1 216 . 1 1 50 50 LYS H H 1 7.392 0.020 . 1 . . . . . 50 LYS H . 27950 1 217 . 1 1 50 50 LYS C C 13 178.688 0.3 . 1 . . . . . 50 LYS C . 27950 1 218 . 1 1 50 50 LYS CA C 13 58.620 0.3 . 1 . . . . . 50 LYS CA . 27950 1 219 . 1 1 50 50 LYS CB C 13 30.430 0.3 . 1 . . . . . 50 LYS CB . 27950 1 220 . 1 1 50 50 LYS N N 15 119.764 0.3 . 1 . . . . . 50 LYS N . 27950 1 221 . 1 1 51 51 LEU H H 1 8.246 0.020 . 1 . . . . . 51 LEU H . 27950 1 222 . 1 1 51 51 LEU C C 13 179.891 0.3 . 1 . . . . . 51 LEU C . 27950 1 223 . 1 1 51 51 LEU CA C 13 57.570 0.3 . 1 . . . . . 51 LEU CA . 27950 1 224 . 1 1 51 51 LEU CB C 13 39.747 0.3 . 1 . . . . . 51 LEU CB . 27950 1 225 . 1 1 51 51 LEU N N 15 119.764 0.3 . 1 . . . . . 51 LEU N . 27950 1 226 . 1 1 52 52 GLN H H 1 8.689 0.020 . 1 . . . . . 52 GLN H . 27950 1 227 . 1 1 52 52 GLN C C 13 180.491 0.3 . 1 . . . . . 52 GLN C . 27950 1 228 . 1 1 52 52 GLN CA C 13 58.291 0.3 . 1 . . . . . 52 GLN CA . 27950 1 229 . 1 1 52 52 GLN CB C 13 26.951 0.3 . 1 . . . . . 52 GLN CB . 27950 1 230 . 1 1 52 52 GLN N N 15 117.146 0.3 . 1 . . . . . 52 GLN N . 27950 1 231 . 1 1 53 53 LYS H H 1 8.037 0.020 . 1 . . . . . 53 LYS H . 27950 1 232 . 1 1 53 53 LYS C C 13 178.972 0.3 . 1 . . . . . 53 LYS C . 27950 1 233 . 1 1 53 53 LYS CA C 13 58.497 0.3 . 1 . . . . . 53 LYS CA . 27950 1 234 . 1 1 53 53 LYS CB C 13 31.031 0.3 . 1 . . . . . 53 LYS CB . 27950 1 235 . 1 1 53 53 LYS N N 15 123.422 0.3 . 1 . . . . . 53 LYS N . 27950 1 236 . 1 1 54 54 LEU H H 1 7.805 0.020 . 1 . . . . . 54 LEU H . 27950 1 237 . 1 1 54 54 LEU C C 13 176.571 0.3 . 1 . . . . . 54 LEU C . 27950 1 238 . 1 1 54 54 LEU CA C 13 55.057 0.3 . 1 . . . . . 54 LEU CA . 27950 1 239 . 1 1 54 54 LEU CB C 13 41.989 0.3 . 1 . . . . . 54 LEU CB . 27950 1 240 . 1 1 54 54 LEU N N 15 118.882 0.3 . 1 . . . . . 54 LEU N . 27950 1 241 . 1 1 55 55 GLY H H 1 7.559 0.020 . 1 . . . . . 55 GLY H . 27950 1 242 . 1 1 55 55 GLY C C 13 174.760 0.3 . 1 . . . . . 55 GLY C . 27950 1 243 . 1 1 55 55 GLY CA C 13 44.821 0.3 . 1 . . . . . 55 GLY CA . 27950 1 244 . 1 1 55 55 GLY N N 15 106.968 0.3 . 1 . . . . . 55 GLY N . 27950 1 245 . 1 1 56 56 ILE H H 1 7.878 0.020 . 1 . . . . . 56 ILE H . 27950 1 246 . 1 1 56 56 ILE C C 13 175.103 0.3 . 1 . . . . . 56 ILE C . 27950 1 247 . 1 1 56 56 ILE CA C 13 59.734 0.3 . 1 . . . . . 56 ILE CA . 27950 1 248 . 1 1 56 56 ILE CB C 13 34.668 0.3 . 1 . . . . . 56 ILE CB . 27950 1 249 . 1 1 56 56 ILE N N 15 119.605 0.3 . 1 . . . . . 56 ILE N . 27950 1 250 . 1 1 57 57 THR H H 1 8.756 0.020 . 1 . . . . . 57 THR H . 27950 1 251 . 1 1 57 57 THR C C 13 175.301 0.3 . 1 . . . . . 57 THR C . 27950 1 252 . 1 1 57 57 THR CA C 13 61.944 0.3 . 1 . . . . . 57 THR CA . 27950 1 253 . 1 1 57 57 THR CB C 13 69.438 0.3 . 1 . . . . . 57 THR CB . 27950 1 254 . 1 1 57 57 THR N N 15 117.244 0.3 . 1 . . . . . 57 THR N . 27950 1 255 . 1 1 58 58 HIS H H 1 8.084 0.020 . 1 . . . . . 58 HIS H . 27950 1 256 . 1 1 58 58 HIS C C 13 172.927 0.3 . 1 . . . . . 58 HIS C . 27950 1 257 . 1 1 58 58 HIS CA C 13 55.481 0.3 . 1 . . . . . 58 HIS CA . 27950 1 258 . 1 1 58 58 HIS CB C 13 33.451 0.3 . 1 . . . . . 58 HIS CB . 27950 1 259 . 1 1 58 58 HIS N N 15 126.094 0.3 . 1 . . . . . 58 HIS N . 27950 1 260 . 1 1 59 59 VAL H H 1 9.173 0.020 . 1 . . . . . 59 VAL H . 27950 1 261 . 1 1 59 59 VAL C C 13 171.161 0.3 . 1 . . . . . 59 VAL C . 27950 1 262 . 1 1 59 59 VAL CA C 13 60.584 0.3 . 1 . . . . . 59 VAL CA . 27950 1 263 . 1 1 59 59 VAL CB C 13 34.489 0.3 . 1 . . . . . 59 VAL CB . 27950 1 264 . 1 1 59 59 VAL N N 15 123.567 0.3 . 1 . . . . . 59 VAL N . 27950 1 265 . 1 1 60 60 LEU H H 1 9.365 0.020 . 1 . . . . . 60 LEU H . 27950 1 266 . 1 1 60 60 LEU C C 13 174.184 0.3 . 1 . . . . . 60 LEU C . 27950 1 267 . 1 1 60 60 LEU CA C 13 52.281 0.3 . 1 . . . . . 60 LEU CA . 27950 1 268 . 1 1 60 60 LEU CB C 13 42.973 0.3 . 1 . . . . . 60 LEU CB . 27950 1 269 . 1 1 60 60 LEU N N 15 130.753 0.3 . 1 . . . . . 60 LEU N . 27950 1 270 . 1 1 61 61 ASN H H 1 8.316 0.020 . 1 . . . . . 61 ASN H . 27950 1 271 . 1 1 61 61 ASN C C 13 173.517 0.3 . 1 . . . . . 61 ASN C . 27950 1 272 . 1 1 61 61 ASN CA C 13 50.780 0.3 . 1 . . . . . 61 ASN CA . 27950 1 273 . 1 1 61 61 ASN CB C 13 38.164 0.3 . 1 . . . . . 61 ASN CB . 27950 1 274 . 1 1 61 61 ASN N N 15 122.960 0.3 . 1 . . . . . 61 ASN N . 27950 1 275 . 1 1 62 62 ALA H H 1 8.564 0.020 . 1 . . . . . 62 ALA H . 27950 1 276 . 1 1 62 62 ALA C C 13 173.382 0.3 . 1 . . . . . 62 ALA C . 27950 1 277 . 1 1 62 62 ALA CA C 13 50.476 0.3 . 1 . . . . . 62 ALA CA . 27950 1 278 . 1 1 62 62 ALA CB C 13 17.599 0.3 . 1 . . . . . 62 ALA CB . 27950 1 279 . 1 1 62 62 ALA N N 15 127.057 0.3 . 1 . . . . . 62 ALA N . 27950 1 280 . 1 1 63 63 ALA H H 1 8.298 0.020 . 1 . . . . . 63 ALA H . 27950 1 281 . 1 1 63 63 ALA C C 13 175.253 0.3 . 1 . . . . . 63 ALA C . 27950 1 282 . 1 1 63 63 ALA CA C 13 49.128 0.3 . 1 . . . . . 63 ALA CA . 27950 1 283 . 1 1 63 63 ALA CB C 13 19.576 0.3 . 1 . . . . . 63 ALA CB . 27950 1 284 . 1 1 63 63 ALA N N 15 120.348 0.3 . 1 . . . . . 63 ALA N . 27950 1 285 . 1 1 64 64 GLU H H 1 7.734 0.020 . 1 . . . . . 64 GLU H . 27950 1 286 . 1 1 64 64 GLU C C 13 174.943 0.3 . 1 . . . . . 64 GLU C . 27950 1 287 . 1 1 64 64 GLU CA C 13 58.159 0.3 . 1 . . . . . 64 GLU CA . 27950 1 288 . 1 1 64 64 GLU CB C 13 29.606 0.3 . 1 . . . . . 64 GLU CB . 27950 1 289 . 1 1 64 64 GLU N N 15 124.630 0.3 . 1 . . . . . 64 GLU N . 27950 1 290 . 1 1 65 65 GLY H H 1 7.403 0.020 . 1 . . . . . 65 GLY H . 27950 1 291 . 1 1 65 65 GLY C C 13 171.393 0.3 . 1 . . . . . 65 GLY C . 27950 1 292 . 1 1 65 65 GLY CA C 13 44.476 0.3 . 1 . . . . . 65 GLY CA . 27950 1 293 . 1 1 65 65 GLY N N 15 112.010 0.3 . 1 . . . . . 65 GLY N . 27950 1 294 . 1 1 66 66 ARG H H 1 7.976 0.020 . 1 . . . . . 66 ARG H . 27950 1 295 . 1 1 66 66 ARG C C 13 171.295 0.3 . 1 . . . . . 66 ARG C . 27950 1 296 . 1 1 66 66 ARG CA C 13 54.903 0.3 . 1 . . . . . 66 ARG CA . 27950 1 297 . 1 1 66 66 ARG CB C 13 30.567 0.3 . 1 . . . . . 66 ARG CB . 27950 1 298 . 1 1 66 66 ARG N N 15 115.545 0.3 . 1 . . . . . 66 ARG N . 27950 1 299 . 1 1 69 69 MET H H 1 8.150 0.020 . 1 . . . . . 69 MET H . 27950 1 300 . 1 1 69 69 MET CB C 13 40.083 0.3 . 1 . . . . . 69 MET CB . 27950 1 301 . 1 1 69 69 MET N N 15 118.232 0.3 . 1 . . . . . 69 MET N . 27950 1 302 . 1 1 71 71 VAL H H 1 9.374 0.020 . 1 . . . . . 71 VAL H . 27950 1 303 . 1 1 71 71 VAL C C 13 176.041 0.3 . 1 . . . . . 71 VAL C . 27950 1 304 . 1 1 71 71 VAL CA C 13 61.622 0.3 . 1 . . . . . 71 VAL CA . 27950 1 305 . 1 1 71 71 VAL CB C 13 31.405 0.3 . 1 . . . . . 71 VAL CB . 27950 1 306 . 1 1 71 71 VAL N N 15 120.851 0.3 . 1 . . . . . 71 VAL N . 27950 1 307 . 1 1 72 72 ASN H H 1 9.081 0.020 . 1 . . . . . 72 ASN H . 27950 1 308 . 1 1 72 72 ASN CA C 13 51.974 0.3 . 1 . . . . . 72 ASN CA . 27950 1 309 . 1 1 72 72 ASN CB C 13 36.229 0.3 . 1 . . . . . 72 ASN CB . 27950 1 310 . 1 1 72 72 ASN N N 15 130.419 0.3 . 1 . . . . . 72 ASN N . 27950 1 311 . 1 1 73 73 THR H H 1 7.566 0.020 . 1 . . . . . 73 THR H . 27950 1 312 . 1 1 73 73 THR C C 13 173.629 0.3 . 1 . . . . . 73 THR C . 27950 1 313 . 1 1 73 73 THR CA C 13 63.147 0.3 . 1 . . . . . 73 THR CA . 27950 1 314 . 1 1 73 73 THR CB C 13 69.094 0.3 . 1 . . . . . 73 THR CB . 27950 1 315 . 1 1 73 73 THR N N 15 113.224 0.3 . 1 . . . . . 73 THR N . 27950 1 316 . 1 1 74 74 ASN H H 1 6.606 0.020 . 1 . . . . . 74 ASN H . 27950 1 317 . 1 1 74 74 ASN CA C 13 51.196 0.3 . 1 . . . . . 74 ASN CA . 27950 1 318 . 1 1 74 74 ASN CB C 13 37.785 0.3 . 1 . . . . . 74 ASN CB . 27950 1 319 . 1 1 74 74 ASN N N 15 108.259 0.3 . 1 . . . . . 74 ASN N . 27950 1 320 . 1 1 75 75 ALA H H 1 8.786 0.020 . 1 . . . . . 75 ALA H . 27950 1 321 . 1 1 75 75 ALA C C 13 181.089 0.3 . 1 . . . . . 75 ALA C . 27950 1 322 . 1 1 75 75 ALA CA C 13 55.252 0.3 . 1 . . . . . 75 ALA CA . 27950 1 323 . 1 1 75 75 ALA CB C 13 17.286 0.3 . 1 . . . . . 75 ALA CB . 27950 1 324 . 1 1 75 75 ALA N N 15 120.429 0.3 . 1 . . . . . 75 ALA N . 27950 1 325 . 1 1 76 76 ASN H H 1 8.175 0.020 . 1 . . . . . 76 ASN H . 27950 1 326 . 1 1 76 76 ASN C C 13 177.246 0.3 . 1 . . . . . 76 ASN C . 27950 1 327 . 1 1 76 76 ASN CA C 13 55.478 0.3 . 1 . . . . . 76 ASN CA . 27950 1 328 . 1 1 76 76 ASN CB C 13 37.061 0.3 . 1 . . . . . 76 ASN CB . 27950 1 329 . 1 1 76 76 ASN N N 15 117.191 0.3 . 1 . . . . . 76 ASN N . 27950 1 330 . 1 1 77 77 PHE H H 1 7.673 0.020 . 1 . . . . . 77 PHE H . 27950 1 331 . 1 1 77 77 PHE C C 13 175.560 0.3 . 1 . . . . . 77 PHE C . 27950 1 332 . 1 1 77 77 PHE CA C 13 60.358 0.3 . 1 . . . . . 77 PHE CA . 27950 1 333 . 1 1 77 77 PHE CB C 13 38.623 0.3 . 1 . . . . . 77 PHE CB . 27950 1 334 . 1 1 77 77 PHE N N 15 122.251 0.3 . 1 . . . . . 77 PHE N . 27950 1 335 . 1 1 78 78 TYR H H 1 6.822 0.020 . 1 . . . . . 78 TYR H . 27950 1 336 . 1 1 78 78 TYR C C 13 176.554 0.3 . 1 . . . . . 78 TYR C . 27950 1 337 . 1 1 78 78 TYR CA C 13 58.297 0.3 . 1 . . . . . 78 TYR CA . 27950 1 338 . 1 1 78 78 TYR CB C 13 39.317 0.3 . 1 . . . . . 78 TYR CB . 27950 1 339 . 1 1 78 78 TYR N N 15 112.075 0.3 . 1 . . . . . 78 TYR N . 27950 1 340 . 1 1 79 79 LYS H H 1 7.348 0.020 . 1 . . . . . 79 LYS H . 27950 1 341 . 1 1 79 79 LYS CB C 13 39.997 0.3 . 1 . . . . . 79 LYS CB . 27950 1 342 . 1 1 79 79 LYS N N 15 123.903 0.3 . 1 . . . . . 79 LYS N . 27950 1 343 . 1 1 80 80 ASP H H 1 8.829 0.020 . 1 . . . . . 80 ASP H . 27950 1 344 . 1 1 80 80 ASP CA C 13 56.260 0.3 . 1 . . . . . 80 ASP CA . 27950 1 345 . 1 1 80 80 ASP CB C 13 39.035 0.3 . 1 . . . . . 80 ASP CB . 27950 1 346 . 1 1 80 80 ASP N N 15 120.661 0.3 . 1 . . . . . 80 ASP N . 27950 1 347 . 1 1 81 81 SER H H 1 7.962 0.020 . 1 . . . . . 81 SER H . 27950 1 348 . 1 1 81 81 SER C C 13 175.336 0.3 . 1 . . . . . 81 SER C . 27950 1 349 . 1 1 81 81 SER CA C 13 59.026 0.3 . 1 . . . . . 81 SER CA . 27950 1 350 . 1 1 81 81 SER CB C 13 64.816 0.3 . 1 . . . . . 81 SER CB . 27950 1 351 . 1 1 81 81 SER N N 15 113.473 0.3 . 1 . . . . . 81 SER N . 27950 1 352 . 1 1 83 83 ILE H H 1 7.524 0.020 . 1 . . . . . 83 ILE H . 27950 1 353 . 1 1 83 83 ILE CA C 13 60.872 0.3 . 1 . . . . . 83 ILE CA . 27950 1 354 . 1 1 83 83 ILE CB C 13 38.613 0.3 . 1 . . . . . 83 ILE CB . 27950 1 355 . 1 1 83 83 ILE N N 15 123.320 0.3 . 1 . . . . . 83 ILE N . 27950 1 356 . 1 1 84 84 THR H H 1 8.138 0.020 . 1 . . . . . 84 THR H . 27950 1 357 . 1 1 84 84 THR C C 13 172.124 0.3 . 1 . . . . . 84 THR C . 27950 1 358 . 1 1 84 84 THR CA C 13 62.894 0.3 . 1 . . . . . 84 THR CA . 27950 1 359 . 1 1 84 84 THR CB C 13 68.591 0.3 . 1 . . . . . 84 THR CB . 27950 1 360 . 1 1 84 84 THR N N 15 126.979 0.3 . 1 . . . . . 84 THR N . 27950 1 361 . 1 1 85 85 TYR H H 1 8.833 0.020 . 1 . . . . . 85 TYR H . 27950 1 362 . 1 1 85 85 TYR C C 13 173.661 0.3 . 1 . . . . . 85 TYR C . 27950 1 363 . 1 1 85 85 TYR CA C 13 57.127 0.3 . 1 . . . . . 85 TYR CA . 27950 1 364 . 1 1 85 85 TYR CB C 13 42.843 0.3 . 1 . . . . . 85 TYR CB . 27950 1 365 . 1 1 85 85 TYR N N 15 129.886 0.3 . 1 . . . . . 85 TYR N . 27950 1 366 . 1 1 86 86 LEU H H 1 7.698 0.020 . 1 . . . . . 86 LEU H . 27950 1 367 . 1 1 86 86 LEU C C 13 171.860 0.3 . 1 . . . . . 86 LEU C . 27950 1 368 . 1 1 86 86 LEU CA C 13 54.331 0.3 . 1 . . . . . 86 LEU CA . 27950 1 369 . 1 1 86 86 LEU CB C 13 41.860 0.3 . 1 . . . . . 86 LEU CB . 27950 1 370 . 1 1 86 86 LEU N N 15 131.375 0.3 . 1 . . . . . 86 LEU N . 27950 1 371 . 1 1 87 87 GLY H H 1 8.203 0.020 . 1 . . . . . 87 GLY H . 27950 1 372 . 1 1 87 87 GLY C C 13 172.985 0.3 . 1 . . . . . 87 GLY C . 27950 1 373 . 1 1 87 87 GLY CA C 13 42.891 0.3 . 1 . . . . . 87 GLY CA . 27950 1 374 . 1 1 87 87 GLY N N 15 113.961 0.3 . 1 . . . . . 87 GLY N . 27950 1 375 . 1 1 88 88 ILE H H 1 9.000 0.020 . 1 . . . . . 88 ILE H . 27950 1 376 . 1 1 88 88 ILE C C 13 175.197 0.3 . 1 . . . . . 88 ILE C . 27950 1 377 . 1 1 88 88 ILE CA C 13 59.108 0.3 . 1 . . . . . 88 ILE CA . 27950 1 378 . 1 1 88 88 ILE CB C 13 39.659 0.3 . 1 . . . . . 88 ILE CB . 27950 1 379 . 1 1 88 88 ILE N N 15 124.488 0.3 . 1 . . . . . 88 ILE N . 27950 1 380 . 1 1 89 89 LYS H H 1 8.431 0.020 . 1 . . . . . 89 LYS H . 27950 1 381 . 1 1 89 89 LYS C C 13 175.828 0.3 . 1 . . . . . 89 LYS C . 27950 1 382 . 1 1 89 89 LYS CA C 13 54.150 0.3 . 1 . . . . . 89 LYS CA . 27950 1 383 . 1 1 89 89 LYS CB C 13 29.495 0.3 . 1 . . . . . 89 LYS CB . 27950 1 384 . 1 1 89 89 LYS N N 15 130.218 0.3 . 1 . . . . . 89 LYS N . 27950 1 385 . 1 1 90 90 ALA H H 1 7.140 0.020 . 1 . . . . . 90 ALA H . 27950 1 386 . 1 1 90 90 ALA CB C 13 19.323 0.3 . 1 . . . . . 90 ALA CB . 27950 1 387 . 1 1 90 90 ALA N N 15 123.722 0.3 . 1 . . . . . 90 ALA N . 27950 1 388 . 1 1 92 92 ASP H H 1 9.041 0.020 . 1 . . . . . 92 ASP H . 27950 1 389 . 1 1 92 92 ASP C C 13 174.805 0.3 . 1 . . . . . 92 ASP C . 27950 1 390 . 1 1 92 92 ASP CA C 13 50.579 0.3 . 1 . . . . . 92 ASP CA . 27950 1 391 . 1 1 92 92 ASP CB C 13 39.054 0.3 . 1 . . . . . 92 ASP CB . 27950 1 392 . 1 1 92 92 ASP N N 15 123.966 0.3 . 1 . . . . . 92 ASP N . 27950 1 393 . 1 1 93 93 THR H H 1 7.406 0.020 . 1 . . . . . 93 THR H . 27950 1 394 . 1 1 93 93 THR C C 13 174.534 0.3 . 1 . . . . . 93 THR C . 27950 1 395 . 1 1 93 93 THR CA C 13 58.541 0.3 . 1 . . . . . 93 THR CA . 27950 1 396 . 1 1 93 93 THR CB C 13 70.145 0.3 . 1 . . . . . 93 THR CB . 27950 1 397 . 1 1 93 93 THR N N 15 111.853 0.3 . 1 . . . . . 93 THR N . 27950 1 398 . 1 1 94 94 GLN H H 1 8.618 0.020 . 1 . . . . . 94 GLN H . 27950 1 399 . 1 1 94 94 GLN C C 13 175.992 0.3 . 1 . . . . . 94 GLN C . 27950 1 400 . 1 1 94 94 GLN CA C 13 56.968 0.3 . 1 . . . . . 94 GLN CA . 27950 1 401 . 1 1 94 94 GLN CB C 13 27.256 0.3 . 1 . . . . . 94 GLN CB . 27950 1 402 . 1 1 94 94 GLN N N 15 119.674 0.3 . 1 . . . . . 94 GLN N . 27950 1 403 . 1 1 95 95 GLU H H 1 8.084 0.020 . 1 . . . . . 95 GLU H . 27950 1 404 . 1 1 95 95 GLU C C 13 176.351 0.3 . 1 . . . . . 95 GLU C . 27950 1 405 . 1 1 95 95 GLU CA C 13 55.789 0.3 . 1 . . . . . 95 GLU CA . 27950 1 406 . 1 1 95 95 GLU CB C 13 28.631 0.3 . 1 . . . . . 95 GLU CB . 27950 1 407 . 1 1 95 95 GLU N N 15 115.259 0.3 . 1 . . . . . 95 GLU N . 27950 1 408 . 1 1 96 96 PHE H H 1 7.723 0.020 . 1 . . . . . 96 PHE H . 27950 1 409 . 1 1 96 96 PHE C C 13 176.172 0.3 . 1 . . . . . 96 PHE C . 27950 1 410 . 1 1 96 96 PHE CA C 13 59.427 0.3 . 1 . . . . . 96 PHE CA . 27950 1 411 . 1 1 96 96 PHE CB C 13 40.322 0.3 . 1 . . . . . 96 PHE CB . 27950 1 412 . 1 1 96 96 PHE N N 15 124.381 0.3 . 1 . . . . . 96 PHE N . 27950 1 413 . 1 1 97 97 ASN H H 1 8.111 0.020 . 1 . . . . . 97 ASN H . 27950 1 414 . 1 1 97 97 ASN C C 13 174.765 0.3 . 1 . . . . . 97 ASN C . 27950 1 415 . 1 1 97 97 ASN CA C 13 51.255 0.3 . 1 . . . . . 97 ASN CA . 27950 1 416 . 1 1 97 97 ASN CB C 13 35.455 0.3 . 1 . . . . . 97 ASN CB . 27950 1 417 . 1 1 97 97 ASN N N 15 126.011 0.3 . 1 . . . . . 97 ASN N . 27950 1 418 . 1 1 98 98 LEU H H 1 8.329 0.020 . 1 . . . . . 98 LEU H . 27950 1 419 . 1 1 98 98 LEU C C 13 177.649 0.3 . 1 . . . . . 98 LEU C . 27950 1 420 . 1 1 98 98 LEU CA C 13 55.393 0.3 . 1 . . . . . 98 LEU CA . 27950 1 421 . 1 1 98 98 LEU CB C 13 41.885 0.3 . 1 . . . . . 98 LEU CB . 27950 1 422 . 1 1 98 98 LEU N N 15 130.137 0.3 . 1 . . . . . 98 LEU N . 27950 1 423 . 1 1 99 99 SER H H 1 8.041 0.020 . 1 . . . . . 99 SER H . 27950 1 424 . 1 1 99 99 SER C C 13 176.002 0.3 . 1 . . . . . 99 SER C . 27950 1 425 . 1 1 99 99 SER CA C 13 58.614 0.3 . 1 . . . . . 99 SER CA . 27950 1 426 . 1 1 99 99 SER CB C 13 62.354 0.3 . 1 . . . . . 99 SER CB . 27950 1 427 . 1 1 99 99 SER N N 15 115.027 0.3 . 1 . . . . . 99 SER N . 27950 1 428 . 1 1 100 100 ALA H H 1 6.659 0.020 . 1 . . . . . 100 ALA H . 27950 1 429 . 1 1 100 100 ALA C C 13 177.981 0.3 . 1 . . . . . 100 ALA C . 27950 1 430 . 1 1 100 100 ALA CA C 13 53.045 0.3 . 1 . . . . . 100 ALA CA . 27950 1 431 . 1 1 100 100 ALA CB C 13 17.078 0.3 . 1 . . . . . 100 ALA CB . 27950 1 432 . 1 1 100 100 ALA N N 15 124.038 0.3 . 1 . . . . . 100 ALA N . 27950 1 433 . 1 1 101 101 TYR H H 1 8.229 0.020 . 1 . . . . . 101 TYR H . 27950 1 434 . 1 1 101 101 TYR C C 13 175.434 0.3 . 1 . . . . . 101 TYR C . 27950 1 435 . 1 1 101 101 TYR CA C 13 57.700 0.3 . 1 . . . . . 101 TYR CA . 27950 1 436 . 1 1 101 101 TYR CB C 13 38.657 0.3 . 1 . . . . . 101 TYR CB . 27950 1 437 . 1 1 101 101 TYR N N 15 115.239 0.3 . 1 . . . . . 101 TYR N . 27950 1 438 . 1 1 102 102 PHE H H 1 7.349 0.020 . 1 . . . . . 102 PHE H . 27950 1 439 . 1 1 102 102 PHE C C 13 178.021 0.3 . 1 . . . . . 102 PHE C . 27950 1 440 . 1 1 102 102 PHE CA C 13 57.121 0.3 . 1 . . . . . 102 PHE CA . 27950 1 441 . 1 1 102 102 PHE CB C 13 35.816 0.3 . 1 . . . . . 102 PHE CB . 27950 1 442 . 1 1 102 102 PHE N N 15 119.388 0.3 . 1 . . . . . 102 PHE N . 27950 1 443 . 1 1 103 103 GLU H H 1 8.848 0.020 . 1 . . . . . 103 GLU H . 27950 1 444 . 1 1 103 103 GLU C C 13 177.661 0.3 . 1 . . . . . 103 GLU C . 27950 1 445 . 1 1 103 103 GLU CA C 13 59.780 0.3 . 1 . . . . . 103 GLU CA . 27950 1 446 . 1 1 103 103 GLU CB C 13 27.693 0.3 . 1 . . . . . 103 GLU CB . 27950 1 447 . 1 1 103 103 GLU N N 15 119.894 0.3 . 1 . . . . . 103 GLU N . 27950 1 448 . 1 1 104 104 ARG H H 1 8.321 0.020 . 1 . . . . . 104 ARG H . 27950 1 449 . 1 1 104 104 ARG C C 13 179.964 0.3 . 1 . . . . . 104 ARG C . 27950 1 450 . 1 1 104 104 ARG CA C 13 58.133 0.3 . 1 . . . . . 104 ARG CA . 27950 1 451 . 1 1 104 104 ARG CB C 13 29.092 0.3 . 1 . . . . . 104 ARG CB . 27950 1 452 . 1 1 104 104 ARG N N 15 119.996 0.3 . 1 . . . . . 104 ARG N . 27950 1 453 . 1 1 105 105 ALA H H 1 8.498 0.020 . 1 . . . . . 105 ALA H . 27950 1 454 . 1 1 105 105 ALA C C 13 178.126 0.3 . 1 . . . . . 105 ALA C . 27950 1 455 . 1 1 105 105 ALA CA C 13 54.476 0.3 . 1 . . . . . 105 ALA CA . 27950 1 456 . 1 1 105 105 ALA CB C 13 18.758 0.3 . 1 . . . . . 105 ALA CB . 27950 1 457 . 1 1 105 105 ALA N N 15 121.008 0.3 . 1 . . . . . 105 ALA N . 27950 1 458 . 1 1 106 106 ALA H H 1 8.419 0.020 . 1 . . . . . 106 ALA H . 27950 1 459 . 1 1 106 106 ALA C C 13 179.129 0.3 . 1 . . . . . 106 ALA C . 27950 1 460 . 1 1 106 106 ALA CA C 13 55.010 0.3 . 1 . . . . . 106 ALA CA . 27950 1 461 . 1 1 106 106 ALA CB C 13 16.678 0.3 . 1 . . . . . 106 ALA CB . 27950 1 462 . 1 1 106 106 ALA N N 15 120.646 0.3 . 1 . . . . . 106 ALA N . 27950 1 463 . 1 1 107 107 ASP H H 1 8.558 0.020 . 1 . . . . . 107 ASP H . 27950 1 464 . 1 1 107 107 ASP C C 13 178.174 0.3 . 1 . . . . . 107 ASP C . 27950 1 465 . 1 1 107 107 ASP CA C 13 56.853 0.3 . 1 . . . . . 107 ASP CA . 27950 1 466 . 1 1 107 107 ASP CB C 13 39.528 0.3 . 1 . . . . . 107 ASP CB . 27950 1 467 . 1 1 107 107 ASP N N 15 117.841 0.3 . 1 . . . . . 107 ASP N . 27950 1 468 . 1 1 108 108 PHE H H 1 7.613 0.020 . 1 . . . . . 108 PHE H . 27950 1 469 . 1 1 108 108 PHE C C 13 176.622 0.3 . 1 . . . . . 108 PHE C . 27950 1 470 . 1 1 108 108 PHE CA C 13 61.247 0.3 . 1 . . . . . 108 PHE CA . 27950 1 471 . 1 1 108 108 PHE CB C 13 39.277 0.3 . 1 . . . . . 108 PHE CB . 27950 1 472 . 1 1 108 108 PHE N N 15 122.280 0.3 . 1 . . . . . 108 PHE N . 27950 1 473 . 1 1 109 109 ILE H H 1 8.132 0.020 . 1 . . . . . 109 ILE H . 27950 1 474 . 1 1 109 109 ILE C C 13 177.210 0.3 . 1 . . . . . 109 ILE C . 27950 1 475 . 1 1 109 109 ILE CA C 13 65.576 0.3 . 1 . . . . . 109 ILE CA . 27950 1 476 . 1 1 109 109 ILE CB C 13 36.781 0.3 . 1 . . . . . 109 ILE CB . 27950 1 477 . 1 1 109 109 ILE N N 15 119.886 0.3 . 1 . . . . . 109 ILE N . 27950 1 478 . 1 1 110 110 ASP H H 1 8.378 0.020 . 1 . . . . . 110 ASP H . 27950 1 479 . 1 1 110 110 ASP C C 13 179.446 0.3 . 1 . . . . . 110 ASP C . 27950 1 480 . 1 1 110 110 ASP CA C 13 56.855 0.3 . 1 . . . . . 110 ASP CA . 27950 1 481 . 1 1 110 110 ASP CB C 13 40.137 0.3 . 1 . . . . . 110 ASP CB . 27950 1 482 . 1 1 110 110 ASP N N 15 117.783 0.3 . 1 . . . . . 110 ASP N . 27950 1 483 . 1 1 111 111 GLN H H 1 7.798 0.020 . 1 . . . . . 111 GLN H . 27950 1 484 . 1 1 111 111 GLN C C 13 178.344 0.3 . 1 . . . . . 111 GLN C . 27950 1 485 . 1 1 111 111 GLN CA C 13 58.141 0.3 . 1 . . . . . 111 GLN CA . 27950 1 486 . 1 1 111 111 GLN CB C 13 26.894 0.3 . 1 . . . . . 111 GLN CB . 27950 1 487 . 1 1 111 111 GLN N N 15 120.025 0.3 . 1 . . . . . 111 GLN N . 27950 1 488 . 1 1 112 112 ALA H H 1 7.214 0.020 . 1 . . . . . 112 ALA H . 27950 1 489 . 1 1 112 112 ALA C C 13 178.386 0.3 . 1 . . . . . 112 ALA C . 27950 1 490 . 1 1 112 112 ALA CA C 13 54.065 0.3 . 1 . . . . . 112 ALA CA . 27950 1 491 . 1 1 112 112 ALA CB C 13 17.336 0.3 . 1 . . . . . 112 ALA CB . 27950 1 492 . 1 1 112 112 ALA N N 15 122.757 0.3 . 1 . . . . . 112 ALA N . 27950 1 493 . 1 1 113 113 LEU H H 1 7.635 0.020 . 1 . . . . . 113 LEU H . 27950 1 494 . 1 1 113 113 LEU C C 13 178.948 0.3 . 1 . . . . . 113 LEU C . 27950 1 495 . 1 1 113 113 LEU CA C 13 55.431 0.3 . 1 . . . . . 113 LEU CA . 27950 1 496 . 1 1 113 113 LEU CB C 13 39.748 0.3 . 1 . . . . . 113 LEU CB . 27950 1 497 . 1 1 113 113 LEU N N 15 113.648 0.3 . 1 . . . . . 113 LEU N . 27950 1 498 . 1 1 114 114 ALA H H 1 7.557 0.020 . 1 . . . . . 114 ALA H . 27950 1 499 . 1 1 114 114 ALA C C 13 178.787 0.3 . 1 . . . . . 114 ALA C . 27950 1 500 . 1 1 114 114 ALA CA C 13 52.787 0.3 . 1 . . . . . 114 ALA CA . 27950 1 501 . 1 1 114 114 ALA CB C 13 17.390 0.3 . 1 . . . . . 114 ALA CB . 27950 1 502 . 1 1 114 114 ALA N N 15 121.557 0.3 . 1 . . . . . 114 ALA N . 27950 1 503 . 1 1 115 115 GLN H H 1 7.089 0.020 . 1 . . . . . 115 GLN H . 27950 1 504 . 1 1 115 115 GLN C C 13 177.497 0.3 . 1 . . . . . 115 GLN C . 27950 1 505 . 1 1 115 115 GLN CA C 13 54.156 0.3 . 1 . . . . . 115 GLN CA . 27950 1 506 . 1 1 115 115 GLN CB C 13 28.012 0.3 . 1 . . . . . 115 GLN CB . 27950 1 507 . 1 1 115 115 GLN N N 15 117.856 0.3 . 1 . . . . . 115 GLN N . 27950 1 508 . 1 1 116 116 LYS H H 1 8.805 0.020 . 1 . . . . . 116 LYS H . 27950 1 509 . 1 1 116 116 LYS C C 13 177.280 0.3 . 1 . . . . . 116 LYS C . 27950 1 510 . 1 1 116 116 LYS CA C 13 58.429 0.3 . 1 . . . . . 116 LYS CA . 27950 1 511 . 1 1 116 116 LYS CB C 13 30.768 0.3 . 1 . . . . . 116 LYS CB . 27950 1 512 . 1 1 116 116 LYS N N 15 127.587 0.3 . 1 . . . . . 116 LYS N . 27950 1 513 . 1 1 118 118 GLY H H 1 7.845 0.020 . 1 . . . . . 118 GLY H . 27950 1 514 . 1 1 118 118 GLY C C 13 174.487 0.3 . 1 . . . . . 118 GLY C . 27950 1 515 . 1 1 118 118 GLY CA C 13 45.410 0.3 . 1 . . . . . 118 GLY CA . 27950 1 516 . 1 1 118 118 GLY N N 15 108.778 0.3 . 1 . . . . . 118 GLY N . 27950 1 517 . 1 1 119 119 ARG H H 1 8.562 0.020 . 1 . . . . . 119 ARG H . 27950 1 518 . 1 1 119 119 ARG C C 13 174.609 0.3 . 1 . . . . . 119 ARG C . 27950 1 519 . 1 1 119 119 ARG CA C 13 55.634 0.3 . 1 . . . . . 119 ARG CA . 27950 1 520 . 1 1 119 119 ARG CB C 13 34.460 0.3 . 1 . . . . . 119 ARG CB . 27950 1 521 . 1 1 119 119 ARG N N 15 121.737 0.3 . 1 . . . . . 119 ARG N . 27950 1 522 . 1 1 120 120 VAL H H 1 8.769 0.020 . 1 . . . . . 120 VAL H . 27950 1 523 . 1 1 120 120 VAL C C 13 171.997 0.3 . 1 . . . . . 120 VAL C . 27950 1 524 . 1 1 120 120 VAL CA C 13 56.401 0.3 . 1 . . . . . 120 VAL CA . 27950 1 525 . 1 1 120 120 VAL CB C 13 34.686 0.3 . 1 . . . . . 120 VAL CB . 27950 1 526 . 1 1 120 120 VAL N N 15 121.239 0.3 . 1 . . . . . 120 VAL N . 27950 1 527 . 1 1 121 121 LEU H H 1 8.720 0.020 . 1 . . . . . 121 LEU H . 27950 1 528 . 1 1 121 121 LEU C C 13 173.393 0.3 . 1 . . . . . 121 LEU C . 27950 1 529 . 1 1 121 121 LEU CA C 13 52.592 0.3 . 1 . . . . . 121 LEU CA . 27950 1 530 . 1 1 121 121 LEU CB C 13 43.166 0.3 . 1 . . . . . 121 LEU CB . 27950 1 531 . 1 1 121 121 LEU N N 15 127.992 0.3 . 1 . . . . . 121 LEU N . 27950 1 532 . 1 1 122 122 VAL H H 1 9.461 0.020 . 1 . . . . . 122 VAL H . 27950 1 533 . 1 1 122 122 VAL C C 13 174.712 0.3 . 1 . . . . . 122 VAL C . 27950 1 534 . 1 1 122 122 VAL CA C 13 60.055 0.3 . 1 . . . . . 122 VAL CA . 27950 1 535 . 1 1 122 122 VAL CB C 13 30.363 0.3 . 1 . . . . . 122 VAL CB . 27950 1 536 . 1 1 122 122 VAL N N 15 130.247 0.3 . 1 . . . . . 122 VAL N . 27950 1 537 . 1 1 123 123 HIS H H 1 9.115 0.020 . 1 . . . . . 123 HIS H . 27950 1 538 . 1 1 123 123 HIS C C 13 171.857 0.3 . 1 . . . . . 123 HIS C . 27950 1 539 . 1 1 123 123 HIS CA C 13 52.934 0.3 . 1 . . . . . 123 HIS CA . 27950 1 540 . 1 1 123 123 HIS CB C 13 32.121 0.3 . 1 . . . . . 123 HIS CB . 27950 1 541 . 1 1 123 123 HIS N N 15 123.201 0.3 . 1 . . . . . 123 HIS N . 27950 1 542 . 1 1 124 124 CYS H H 1 7.006 0.020 . 1 . . . . . 124 CYS H . 27950 1 543 . 1 1 124 124 CYS C C 13 176.044 0.3 . 1 . . . . . 124 CYS C . 27950 1 544 . 1 1 124 124 CYS CA C 13 56.844 0.3 . 1 . . . . . 124 CYS CA . 27950 1 545 . 1 1 124 124 CYS CB C 13 28.204 0.3 . 1 . . . . . 124 CYS CB . 27950 1 546 . 1 1 124 124 CYS N N 15 118.753 0.3 . 1 . . . . . 124 CYS N . 27950 1 547 . 1 1 128 128 TYR H H 1 8.047 0.020 . 1 . . . . . 128 TYR H . 27950 1 548 . 1 1 128 128 TYR C C 13 175.653 0.3 . 1 . . . . . 128 TYR C . 27950 1 549 . 1 1 128 128 TYR CA C 13 56.336 0.3 . 1 . . . . . 128 TYR CA . 27950 1 550 . 1 1 128 128 TYR CB C 13 38.288 0.3 . 1 . . . . . 128 TYR CB . 27950 1 551 . 1 1 128 128 TYR N N 15 123.786 0.3 . 1 . . . . . 128 TYR N . 27950 1 552 . 1 1 129 129 SER H H 1 8.403 0.020 . 1 . . . . . 129 SER H . 27950 1 553 . 1 1 129 129 SER C C 13 173.483 0.3 . 1 . . . . . 129 SER C . 27950 1 554 . 1 1 129 129 SER CA C 13 57.580 0.3 . 1 . . . . . 129 SER CA . 27950 1 555 . 1 1 129 129 SER CB C 13 63.399 0.3 . 1 . . . . . 129 SER CB . 27950 1 556 . 1 1 129 129 SER N N 15 119.157 0.3 . 1 . . . . . 129 SER N . 27950 1 557 . 1 1 130 130 ARG H H 1 7.711 0.020 . 1 . . . . . 130 ARG H . 27950 1 558 . 1 1 130 130 ARG CA C 13 52.433 0.3 . 1 . . . . . 130 ARG CA . 27950 1 559 . 1 1 130 130 ARG CB C 13 29.533 0.3 . 1 . . . . . 130 ARG CB . 27950 1 560 . 1 1 130 130 ARG N N 15 124.877 0.3 . 1 . . . . . 130 ARG N . 27950 1 561 . 1 1 133 133 THR H H 1 6.965 0.020 . 1 . . . . . 133 THR H . 27950 1 562 . 1 1 133 133 THR C C 13 175.198 0.3 . 1 . . . . . 133 THR C . 27950 1 563 . 1 1 133 133 THR CA C 13 68.296 0.3 . 1 . . . . . 133 THR CA . 27950 1 564 . 1 1 133 133 THR CB C 13 66.413 0.3 . 1 . . . . . 133 THR CB . 27950 1 565 . 1 1 133 133 THR N N 15 113.446 0.3 . 1 . . . . . 133 THR N . 27950 1 566 . 1 1 134 134 LEU H H 1 6.835 0.020 . 1 . . . . . 134 LEU H . 27950 1 567 . 1 1 134 134 LEU C C 13 178.592 0.3 . 1 . . . . . 134 LEU C . 27950 1 568 . 1 1 134 134 LEU CA C 13 56.903 0.3 . 1 . . . . . 134 LEU CA . 27950 1 569 . 1 1 134 134 LEU CB C 13 40.458 0.3 . 1 . . . . . 134 LEU CB . 27950 1 570 . 1 1 134 134 LEU N N 15 116.540 0.3 . 1 . . . . . 134 LEU N . 27950 1 571 . 1 1 135 135 VAL H H 1 6.953 0.020 . 1 . . . . . 135 VAL H . 27950 1 572 . 1 1 135 135 VAL C C 13 176.394 0.3 . 1 . . . . . 135 VAL C . 27950 1 573 . 1 1 135 135 VAL CA C 13 66.428 0.3 . 1 . . . . . 135 VAL CA . 27950 1 574 . 1 1 135 135 VAL CB C 13 30.392 0.3 . 1 . . . . . 135 VAL CB . 27950 1 575 . 1 1 135 135 VAL N N 15 118.145 0.3 . 1 . . . . . 135 VAL N . 27950 1 576 . 1 1 136 136 ILE H H 1 8.338 0.020 . 1 . . . . . 136 ILE H . 27950 1 577 . 1 1 136 136 ILE C C 13 176.603 0.3 . 1 . . . . . 136 ILE C . 27950 1 578 . 1 1 136 136 ILE CA C 13 65.485 0.3 . 1 . . . . . 136 ILE CA . 27950 1 579 . 1 1 136 136 ILE CB C 13 36.368 0.3 . 1 . . . . . 136 ILE CB . 27950 1 580 . 1 1 136 136 ILE N N 15 121.095 0.3 . 1 . . . . . 136 ILE N . 27950 1 581 . 1 1 137 137 ALA H H 1 7.563 0.020 . 1 . . . . . 137 ALA H . 27950 1 582 . 1 1 137 137 ALA C C 13 178.826 0.3 . 1 . . . . . 137 ALA C . 27950 1 583 . 1 1 137 137 ALA CA C 13 54.313 0.3 . 1 . . . . . 137 ALA CA . 27950 1 584 . 1 1 137 137 ALA CB C 13 14.892 0.3 . 1 . . . . . 137 ALA CB . 27950 1 585 . 1 1 137 137 ALA N N 15 119.504 0.3 . 1 . . . . . 137 ALA N . 27950 1 586 . 1 1 138 138 TYR H H 1 7.624 0.020 . 1 . . . . . 138 TYR H . 27950 1 587 . 1 1 138 138 TYR C C 13 176.409 0.3 . 1 . . . . . 138 TYR C . 27950 1 588 . 1 1 138 138 TYR CA C 13 61.920 0.3 . 1 . . . . . 138 TYR CA . 27950 1 589 . 1 1 138 138 TYR CB C 13 36.958 0.3 . 1 . . . . . 138 TYR CB . 27950 1 590 . 1 1 138 138 TYR N N 15 118.535 0.3 . 1 . . . . . 138 TYR N . 27950 1 591 . 1 1 139 139 LEU H H 1 8.188 0.020 . 1 . . . . . 139 LEU H . 27950 1 592 . 1 1 139 139 LEU C C 13 179.905 0.3 . 1 . . . . . 139 LEU C . 27950 1 593 . 1 1 139 139 LEU CA C 13 57.192 0.3 . 1 . . . . . 139 LEU CA . 27950 1 594 . 1 1 139 139 LEU CB C 13 40.352 0.3 . 1 . . . . . 139 LEU CB . 27950 1 595 . 1 1 139 139 LEU N N 15 121.601 0.3 . 1 . . . . . 139 LEU N . 27950 1 596 . 1 1 140 140 MET H H 1 7.688 0.020 . 1 . . . . . 140 MET H . 27950 1 597 . 1 1 140 140 MET C C 13 177.778 0.3 . 1 . . . . . 140 MET C . 27950 1 598 . 1 1 140 140 MET CA C 13 57.395 0.3 . 1 . . . . . 140 MET CA . 27950 1 599 . 1 1 140 140 MET CB C 13 33.399 0.3 . 1 . . . . . 140 MET CB . 27950 1 600 . 1 1 140 140 MET N N 15 118.492 0.3 . 1 . . . . . 140 MET N . 27950 1 601 . 1 1 141 141 MET H H 1 8.377 0.020 . 1 . . . . . 141 MET H . 27950 1 602 . 1 1 141 141 MET C C 13 178.150 0.3 . 1 . . . . . 141 MET C . 27950 1 603 . 1 1 141 141 MET CA C 13 58.294 0.3 . 1 . . . . . 141 MET CA . 27950 1 604 . 1 1 141 141 MET CB C 13 34.881 0.3 . 1 . . . . . 141 MET CB . 27950 1 605 . 1 1 141 141 MET N N 15 114.602 0.3 . 1 . . . . . 141 MET N . 27950 1 606 . 1 1 142 142 ARG H H 1 8.585 0.020 . 1 . . . . . 142 ARG H . 27950 1 607 . 1 1 142 142 ARG C C 13 177.763 0.3 . 1 . . . . . 142 ARG C . 27950 1 608 . 1 1 142 142 ARG CA C 13 53.610 0.3 . 1 . . . . . 142 ARG CA . 27950 1 609 . 1 1 142 142 ARG CB C 13 28.648 0.3 . 1 . . . . . 142 ARG CB . 27950 1 610 . 1 1 142 142 ARG N N 15 113.185 0.3 . 1 . . . . . 142 ARG N . 27950 1 611 . 1 1 143 143 GLN H H 1 6.883 0.020 . 1 . . . . . 143 GLN H . 27950 1 612 . 1 1 143 143 GLN C C 13 174.821 0.3 . 1 . . . . . 143 GLN C . 27950 1 613 . 1 1 143 143 GLN CA C 13 54.321 0.3 . 1 . . . . . 143 GLN CA . 27950 1 614 . 1 1 143 143 GLN CB C 13 26.680 0.3 . 1 . . . . . 143 GLN CB . 27950 1 615 . 1 1 143 143 GLN N N 15 115.528 0.3 . 1 . . . . . 143 GLN N . 27950 1 616 . 1 1 144 144 LYS H H 1 6.910 0.020 . 1 . . . . . 144 LYS H . 27950 1 617 . 1 1 144 144 LYS C C 13 174.808 0.3 . 1 . . . . . 144 LYS C . 27950 1 618 . 1 1 144 144 LYS CA C 13 56.734 0.3 . 1 . . . . . 144 LYS CA . 27950 1 619 . 1 1 144 144 LYS CB C 13 27.370 0.3 . 1 . . . . . 144 LYS CB . 27950 1 620 . 1 1 144 144 LYS N N 15 112.983 0.3 . 1 . . . . . 144 LYS N . 27950 1 621 . 1 1 145 145 MET H H 1 7.339 0.020 . 1 . . . . . 145 MET H . 27950 1 622 . 1 1 145 145 MET C C 13 174.209 0.3 . 1 . . . . . 145 MET C . 27950 1 623 . 1 1 145 145 MET CA C 13 54.772 0.3 . 1 . . . . . 145 MET CA . 27950 1 624 . 1 1 145 145 MET CB C 13 34.491 0.3 . 1 . . . . . 145 MET CB . 27950 1 625 . 1 1 145 145 MET N N 15 117.740 0.3 . 1 . . . . . 145 MET N . 27950 1 626 . 1 1 146 146 ASP H H 1 7.862 0.020 . 1 . . . . . 146 ASP H . 27950 1 627 . 1 1 146 146 ASP C C 13 176.458 0.3 . 1 . . . . . 146 ASP C . 27950 1 628 . 1 1 146 146 ASP CA C 13 52.433 0.3 . 1 . . . . . 146 ASP CA . 27950 1 629 . 1 1 146 146 ASP CB C 13 41.074 0.3 . 1 . . . . . 146 ASP CB . 27950 1 630 . 1 1 146 146 ASP N N 15 117.176 0.3 . 1 . . . . . 146 ASP N . 27950 1 631 . 1 1 147 147 VAL H H 1 8.287 0.020 . 1 . . . . . 147 VAL H . 27950 1 632 . 1 1 147 147 VAL C C 13 175.192 0.3 . 1 . . . . . 147 VAL C . 27950 1 633 . 1 1 147 147 VAL CA C 13 63.991 0.3 . 1 . . . . . 147 VAL CA . 27950 1 634 . 1 1 147 147 VAL CB C 13 30.466 0.3 . 1 . . . . . 147 VAL CB . 27950 1 635 . 1 1 147 147 VAL N N 15 119.200 0.3 . 1 . . . . . 147 VAL N . 27950 1 636 . 1 1 148 148 LYS H H 1 7.608 0.020 . 1 . . . . . 148 LYS H . 27950 1 637 . 1 1 148 148 LYS C C 13 179.142 0.3 . 1 . . . . . 148 LYS C . 27950 1 638 . 1 1 148 148 LYS CA C 13 60.322 0.3 . 1 . . . . . 148 LYS CA . 27950 1 639 . 1 1 148 148 LYS CB C 13 30.551 0.3 . 1 . . . . . 148 LYS CB . 27950 1 640 . 1 1 148 148 LYS N N 15 121.427 0.3 . 1 . . . . . 148 LYS N . 27950 1 641 . 1 1 149 149 SER H H 1 8.077 0.020 . 1 . . . . . 149 SER H . 27950 1 642 . 1 1 149 149 SER C C 13 176.298 0.3 . 1 . . . . . 149 SER C . 27950 1 643 . 1 1 149 149 SER CA C 13 61.506 0.3 . 1 . . . . . 149 SER CA . 27950 1 644 . 1 1 149 149 SER CB C 13 62.580 0.3 . 1 . . . . . 149 SER CB . 27950 1 645 . 1 1 149 149 SER N N 15 118.500 0.3 . 1 . . . . . 149 SER N . 27950 1 646 . 1 1 150 150 ALA H H 1 8.351 0.020 . 1 . . . . . 150 ALA H . 27950 1 647 . 1 1 150 150 ALA C C 13 178.005 0.3 . 1 . . . . . 150 ALA C . 27950 1 648 . 1 1 150 150 ALA CA C 13 54.375 0.3 . 1 . . . . . 150 ALA CA . 27950 1 649 . 1 1 150 150 ALA CB C 13 19.920 0.3 . 1 . . . . . 150 ALA CB . 27950 1 650 . 1 1 150 150 ALA N N 15 124.478 0.3 . 1 . . . . . 150 ALA N . 27950 1 651 . 1 1 151 151 LEU H H 1 8.561 0.020 . 1 . . . . . 151 LEU H . 27950 1 652 . 1 1 151 151 LEU C C 13 178.561 0.3 . 1 . . . . . 151 LEU C . 27950 1 653 . 1 1 151 151 LEU CA C 13 58.505 0.3 . 1 . . . . . 151 LEU CA . 27950 1 654 . 1 1 151 151 LEU CB C 13 41.454 0.3 . 1 . . . . . 151 LEU CB . 27950 1 655 . 1 1 151 151 LEU N N 15 118.044 0.3 . 1 . . . . . 151 LEU N . 27950 1 656 . 1 1 152 152 SER H H 1 8.006 0.020 . 1 . . . . . 152 SER H . 27950 1 657 . 1 1 152 152 SER CA C 13 62.269 0.3 . 1 . . . . . 152 SER CA . 27950 1 658 . 1 1 152 152 SER CB C 13 63.399 0.3 . 1 . . . . . 152 SER CB . 27950 1 659 . 1 1 152 152 SER N N 15 113.402 0.3 . 1 . . . . . 152 SER N . 27950 1 660 . 1 1 153 153 ILE H H 1 7.680 0.020 . 1 . . . . . 153 ILE H . 27950 1 661 . 1 1 153 153 ILE C C 13 177.408 0.3 . 1 . . . . . 153 ILE C . 27950 1 662 . 1 1 153 153 ILE CA C 13 63.499 0.3 . 1 . . . . . 153 ILE CA . 27950 1 663 . 1 1 153 153 ILE CB C 13 36.750 0.3 . 1 . . . . . 153 ILE CB . 27950 1 664 . 1 1 153 153 ILE N N 15 121.818 0.3 . 1 . . . . . 153 ILE N . 27950 1 665 . 1 1 154 154 VAL H H 1 7.265 0.020 . 1 . . . . . 154 VAL H . 27950 1 666 . 1 1 154 154 VAL C C 13 177.642 0.3 . 1 . . . . . 154 VAL C . 27950 1 667 . 1 1 154 154 VAL CA C 13 66.812 0.3 . 1 . . . . . 154 VAL CA . 27950 1 668 . 1 1 154 154 VAL CB C 13 30.128 0.3 . 1 . . . . . 154 VAL CB . 27950 1 669 . 1 1 154 154 VAL N N 15 119.446 0.3 . 1 . . . . . 154 VAL N . 27950 1 670 . 1 1 155 155 ARG H H 1 8.526 0.020 . 1 . . . . . 155 ARG H . 27950 1 671 . 1 1 155 155 ARG C C 13 176.941 0.3 . 1 . . . . . 155 ARG C . 27950 1 672 . 1 1 155 155 ARG CA C 13 55.225 0.3 . 1 . . . . . 155 ARG CA . 27950 1 673 . 1 1 155 155 ARG CB C 13 28.215 0.3 . 1 . . . . . 155 ARG CB . 27950 1 674 . 1 1 155 155 ARG N N 15 118.391 0.3 . 1 . . . . . 155 ARG N . 27950 1 675 . 1 1 156 156 GLN H H 1 7.724 0.020 . 1 . . . . . 156 GLN H . 27950 1 676 . 1 1 156 156 GLN C C 13 176.251 0.3 . 1 . . . . . 156 GLN C . 27950 1 677 . 1 1 156 156 GLN CA C 13 57.460 0.3 . 1 . . . . . 156 GLN CA . 27950 1 678 . 1 1 156 156 GLN CB C 13 27.665 0.3 . 1 . . . . . 156 GLN CB . 27950 1 679 . 1 1 156 156 GLN N N 15 118.252 0.3 . 1 . . . . . 156 GLN N . 27950 1 680 . 1 1 157 157 ASN H H 1 7.565 0.020 . 1 . . . . . 157 ASN H . 27950 1 681 . 1 1 157 157 ASN CA C 13 53.258 0.3 . 1 . . . . . 157 ASN CA . 27950 1 682 . 1 1 157 157 ASN CB C 13 42.215 0.3 . 1 . . . . . 157 ASN CB . 27950 1 683 . 1 1 157 157 ASN N N 15 114.328 0.3 . 1 . . . . . 157 ASN N . 27950 1 684 . 1 1 158 158 ARG H H 1 7.886 0.020 . 1 . . . . . 158 ARG H . 27950 1 685 . 1 1 158 158 ARG C C 13 172.745 0.3 . 1 . . . . . 158 ARG C . 27950 1 686 . 1 1 158 158 ARG CA C 13 56.507 0.3 . 1 . . . . . 158 ARG CA . 27950 1 687 . 1 1 158 158 ARG CB C 13 31.658 0.3 . 1 . . . . . 158 ARG CB . 27950 1 688 . 1 1 158 158 ARG N N 15 121.386 0.3 . 1 . . . . . 158 ARG N . 27950 1 689 . 1 1 159 159 GLU H H 1 8.906 0.020 . 1 . . . . . 159 GLU H . 27950 1 690 . 1 1 159 159 GLU C C 13 176.296 0.3 . 1 . . . . . 159 GLU C . 27950 1 691 . 1 1 159 159 GLU CA C 13 57.467 0.3 . 1 . . . . . 159 GLU CA . 27950 1 692 . 1 1 159 159 GLU CB C 13 26.862 0.3 . 1 . . . . . 159 GLU CB . 27950 1 693 . 1 1 159 159 GLU N N 15 126.653 0.3 . 1 . . . . . 159 GLU N . 27950 1 694 . 1 1 161 161 GLY H H 1 7.629 0.020 . 1 . . . . . 161 GLY H . 27950 1 695 . 1 1 161 161 GLY C C 13 172.746 0.3 . 1 . . . . . 161 GLY C . 27950 1 696 . 1 1 161 161 GLY CA C 13 47.082 0.3 . 1 . . . . . 161 GLY CA . 27950 1 697 . 1 1 161 161 GLY N N 15 104.516 0.3 . 1 . . . . . 161 GLY N . 27950 1 698 . 1 1 163 163 ASN H H 1 6.839 0.020 . 1 . . . . . 163 ASN H . 27950 1 699 . 1 1 163 163 ASN C C 13 174.131 0.3 . 1 . . . . . 163 ASN C . 27950 1 700 . 1 1 163 163 ASN CA C 13 53.113 0.3 . 1 . . . . . 163 ASN CA . 27950 1 701 . 1 1 163 163 ASN CB C 13 37.301 0.3 . 1 . . . . . 163 ASN CB . 27950 1 702 . 1 1 163 163 ASN N N 15 117.935 0.3 . 1 . . . . . 163 ASN N . 27950 1 703 . 1 1 164 164 ASP H H 1 8.772 0.020 . 1 . . . . . 164 ASP H . 27950 1 704 . 1 1 164 164 ASP C C 13 180.060 0.3 . 1 . . . . . 164 ASP C . 27950 1 705 . 1 1 164 164 ASP CA C 13 57.527 0.3 . 1 . . . . . 164 ASP CA . 27950 1 706 . 1 1 164 164 ASP CB C 13 39.512 0.3 . 1 . . . . . 164 ASP CB . 27950 1 707 . 1 1 164 164 ASP N N 15 118.079 0.3 . 1 . . . . . 164 ASP N . 27950 1 708 . 1 1 165 165 GLY H H 1 8.700 0.020 . 1 . . . . . 165 GLY H . 27950 1 709 . 1 1 165 165 GLY C C 13 176.458 0.3 . 1 . . . . . 165 GLY C . 27950 1 710 . 1 1 165 165 GLY CA C 13 46.672 0.3 . 1 . . . . . 165 GLY CA . 27950 1 711 . 1 1 165 165 GLY N N 15 110.943 0.3 . 1 . . . . . 165 GLY N . 27950 1 712 . 1 1 166 166 PHE H H 1 7.634 0.020 . 1 . . . . . 166 PHE H . 27950 1 713 . 1 1 166 166 PHE C C 13 179.435 0.3 . 1 . . . . . 166 PHE C . 27950 1 714 . 1 1 166 166 PHE CA C 13 56.545 0.3 . 1 . . . . . 166 PHE CA . 27950 1 715 . 1 1 166 166 PHE CB C 13 34.929 0.3 . 1 . . . . . 166 PHE CB . 27950 1 716 . 1 1 166 166 PHE N N 15 125.068 0.3 . 1 . . . . . 166 PHE N . 27950 1 717 . 1 1 167 167 LEU H H 1 8.582 0.020 . 1 . . . . . 167 LEU H . 27950 1 718 . 1 1 167 167 LEU C C 13 179.190 0.3 . 1 . . . . . 167 LEU C . 27950 1 719 . 1 1 167 167 LEU CA C 13 57.775 0.3 . 1 . . . . . 167 LEU CA . 27950 1 720 . 1 1 167 167 LEU CB C 13 39.976 0.3 . 1 . . . . . 167 LEU CB . 27950 1 721 . 1 1 167 167 LEU N N 15 118.044 0.3 . 1 . . . . . 167 LEU N . 27950 1 722 . 1 1 168 168 ALA H H 1 8.223 0.020 . 1 . . . . . 168 ALA H . 27950 1 723 . 1 1 168 168 ALA C C 13 180.833 0.3 . 1 . . . . . 168 ALA C . 27950 1 724 . 1 1 168 168 ALA CA C 13 55.480 0.3 . 1 . . . . . 168 ALA CA . 27950 1 725 . 1 1 168 168 ALA CB C 13 16.766 0.3 . 1 . . . . . 168 ALA CB . 27950 1 726 . 1 1 168 168 ALA N N 15 124.112 0.3 . 1 . . . . . 168 ALA N . 27950 1 727 . 1 1 169 169 GLN H H 1 8.381 0.020 . 1 . . . . . 169 GLN H . 27950 1 728 . 1 1 169 169 GLN C C 13 180.617 0.3 . 1 . . . . . 169 GLN C . 27950 1 729 . 1 1 169 169 GLN CA C 13 58.931 0.3 . 1 . . . . . 169 GLN CA . 27950 1 730 . 1 1 169 169 GLN CB C 13 27.914 0.3 . 1 . . . . . 169 GLN CB . 27950 1 731 . 1 1 169 169 GLN N N 15 119.878 0.3 . 1 . . . . . 169 GLN N . 27950 1 732 . 1 1 170 170 LEU H H 1 8.473 0.020 . 1 . . . . . 170 LEU H . 27950 1 733 . 1 1 170 170 LEU C C 13 179.539 0.3 . 1 . . . . . 170 LEU C . 27950 1 734 . 1 1 170 170 LEU CA C 13 57.429 0.3 . 1 . . . . . 170 LEU CA . 27950 1 735 . 1 1 170 170 LEU CB C 13 40.714 0.3 . 1 . . . . . 170 LEU CB . 27950 1 736 . 1 1 170 170 LEU N N 15 122.656 0.3 . 1 . . . . . 170 LEU N . 27950 1 737 . 1 1 171 171 CYS H H 1 8.335 0.020 . 1 . . . . . 171 CYS H . 27950 1 738 . 1 1 171 171 CYS C C 13 177.038 0.3 . 1 . . . . . 171 CYS C . 27950 1 739 . 1 1 171 171 CYS CA C 13 64.743 0.3 . 1 . . . . . 171 CYS CA . 27950 1 740 . 1 1 171 171 CYS CB C 13 25.717 0.3 . 1 . . . . . 171 CYS CB . 27950 1 741 . 1 1 171 171 CYS N N 15 120.846 0.3 . 1 . . . . . 171 CYS N . 27950 1 742 . 1 1 172 172 GLN H H 1 8.239 0.020 . 1 . . . . . 172 GLN H . 27950 1 743 . 1 1 172 172 GLN C C 13 178.914 0.3 . 1 . . . . . 172 GLN C . 27950 1 744 . 1 1 172 172 GLN CA C 13 58.374 0.3 . 1 . . . . . 172 GLN CA . 27950 1 745 . 1 1 172 172 GLN CB C 13 27.174 0.3 . 1 . . . . . 172 GLN CB . 27950 1 746 . 1 1 172 172 GLN N N 15 120.805 0.3 . 1 . . . . . 172 GLN N . 27950 1 747 . 1 1 173 173 LEU H H 1 7.891 0.020 . 1 . . . . . 173 LEU H . 27950 1 748 . 1 1 173 173 LEU C C 13 177.231 0.3 . 1 . . . . . 173 LEU C . 27950 1 749 . 1 1 173 173 LEU CA C 13 57.345 0.3 . 1 . . . . . 173 LEU CA . 27950 1 750 . 1 1 173 173 LEU CB C 13 40.290 0.3 . 1 . . . . . 173 LEU CB . 27950 1 751 . 1 1 173 173 LEU N N 15 122.353 0.3 . 1 . . . . . 173 LEU N . 27950 1 752 . 1 1 174 174 ASN H H 1 8.218 0.020 . 1 . . . . . 174 ASN H . 27950 1 753 . 1 1 174 174 ASN C C 13 176.462 0.3 . 1 . . . . . 174 ASN C . 27950 1 754 . 1 1 174 174 ASN CA C 13 57.415 0.3 . 1 . . . . . 174 ASN CA . 27950 1 755 . 1 1 174 174 ASN CB C 13 39.939 0.3 . 1 . . . . . 174 ASN CB . 27950 1 756 . 1 1 174 174 ASN N N 15 118.868 0.3 . 1 . . . . . 174 ASN N . 27950 1 757 . 1 1 175 175 ASP H H 1 7.850 0.020 . 1 . . . . . 175 ASP H . 27950 1 758 . 1 1 175 175 ASP C C 13 178.053 0.3 . 1 . . . . . 175 ASP C . 27950 1 759 . 1 1 175 175 ASP CA C 13 56.893 0.3 . 1 . . . . . 175 ASP CA . 27950 1 760 . 1 1 175 175 ASP CB C 13 40.851 0.3 . 1 . . . . . 175 ASP CB . 27950 1 761 . 1 1 175 175 ASP N N 15 117.182 0.3 . 1 . . . . . 175 ASP N . 27950 1 762 . 1 1 176 176 ARG H H 1 7.878 0.020 . 1 . . . . . 176 ARG H . 27950 1 763 . 1 1 176 176 ARG C C 13 178.914 0.3 . 1 . . . . . 176 ARG C . 27950 1 764 . 1 1 176 176 ARG CA C 13 59.250 0.3 . 1 . . . . . 176 ARG CA . 27950 1 765 . 1 1 176 176 ARG CB C 13 28.961 0.3 . 1 . . . . . 176 ARG CB . 27950 1 766 . 1 1 176 176 ARG N N 15 120.560 0.3 . 1 . . . . . 176 ARG N . 27950 1 767 . 1 1 177 177 LEU H H 1 8.504 0.020 . 1 . . . . . 177 LEU H . 27950 1 768 . 1 1 177 177 LEU C C 13 179.867 0.3 . 1 . . . . . 177 LEU C . 27950 1 769 . 1 1 177 177 LEU CA C 13 57.049 0.3 . 1 . . . . . 177 LEU CA . 27950 1 770 . 1 1 177 177 LEU CB C 13 39.943 0.3 . 1 . . . . . 177 LEU CB . 27950 1 771 . 1 1 177 177 LEU N N 15 118.636 0.3 . 1 . . . . . 177 LEU N . 27950 1 772 . 1 1 178 178 ALA H H 1 8.371 0.020 . 1 . . . . . 178 ALA H . 27950 1 773 . 1 1 178 178 ALA C C 13 181.439 0.3 . 1 . . . . . 178 ALA C . 27950 1 774 . 1 1 178 178 ALA CA C 13 54.278 0.3 . 1 . . . . . 178 ALA CA . 27950 1 775 . 1 1 178 178 ALA CB C 13 17.279 0.3 . 1 . . . . . 178 ALA CB . 27950 1 776 . 1 1 178 178 ALA N N 15 122.107 0.3 . 1 . . . . . 178 ALA N . 27950 1 777 . 1 1 179 179 LYS H H 1 7.950 0.020 . 1 . . . . . 179 LYS H . 27950 1 778 . 1 1 179 179 LYS C C 13 178.698 0.3 . 1 . . . . . 179 LYS C . 27950 1 779 . 1 1 179 179 LYS CA C 13 58.351 0.3 . 1 . . . . . 179 LYS CA . 27950 1 780 . 1 1 179 179 LYS CB C 13 31.442 0.3 . 1 . . . . . 179 LYS CB . 27950 1 781 . 1 1 179 179 LYS N N 15 120.256 0.3 . 1 . . . . . 179 LYS N . 27950 1 782 . 1 1 180 180 GLU H H 1 7.899 0.020 . 1 . . . . . 180 GLU H . 27950 1 783 . 1 1 180 180 GLU C C 13 177.159 0.3 . 1 . . . . . 180 GLU C . 27950 1 784 . 1 1 180 180 GLU CA C 13 56.456 0.3 . 1 . . . . . 180 GLU CA . 27950 1 785 . 1 1 180 180 GLU CB C 13 29.296 0.3 . 1 . . . . . 180 GLU CB . 27950 1 786 . 1 1 180 180 GLU N N 15 117.740 0.3 . 1 . . . . . 180 GLU N . 27950 1 787 . 1 1 181 181 GLY H H 1 7.872 0.020 . 1 . . . . . 181 GLY H . 27950 1 788 . 1 1 181 181 GLY C C 13 175.351 0.3 . 1 . . . . . 181 GLY C . 27950 1 789 . 1 1 181 181 GLY CA C 13 45.653 0.3 . 1 . . . . . 181 GLY CA . 27950 1 790 . 1 1 181 181 GLY N N 15 108.501 0.3 . 1 . . . . . 181 GLY N . 27950 1 791 . 1 1 182 182 LYS H H 1 7.958 0.020 . 1 . . . . . 182 LYS H . 27950 1 792 . 1 1 182 182 LYS C C 13 175.882 0.3 . 1 . . . . . 182 LYS C . 27950 1 793 . 1 1 182 182 LYS CA C 13 55.895 0.3 . 1 . . . . . 182 LYS CA . 27950 1 794 . 1 1 182 182 LYS CB C 13 32.270 0.3 . 1 . . . . . 182 LYS CB . 27950 1 795 . 1 1 182 182 LYS N N 15 118.651 0.3 . 1 . . . . . 182 LYS N . 27950 1 796 . 1 1 183 183 LEU H H 1 7.618 0.020 . 1 . . . . . 183 LEU H . 27950 1 797 . 1 1 183 183 LEU C C 13 176.651 0.3 . 1 . . . . . 183 LEU C . 27950 1 798 . 1 1 183 183 LEU CA C 13 53.439 0.3 . 1 . . . . . 183 LEU CA . 27950 1 799 . 1 1 183 183 LEU CB C 13 41.690 0.3 . 1 . . . . . 183 LEU CB . 27950 1 800 . 1 1 183 183 LEU N N 15 119.287 0.3 . 1 . . . . . 183 LEU N . 27950 1 801 . 1 1 184 184 LYS H H 1 8.231 0.020 . 1 . . . . . 184 LYS H . 27950 1 802 . 1 1 184 184 LYS C C 13 173.508 0.3 . 1 . . . . . 184 LYS C . 27950 1 803 . 1 1 184 184 LYS CA C 13 53.526 0.3 . 1 . . . . . 184 LYS CA . 27950 1 804 . 1 1 184 184 LYS CB C 13 31.468 0.3 . 1 . . . . . 184 LYS CB . 27950 1 805 . 1 1 184 184 LYS N N 15 123.784 0.3 . 1 . . . . . 184 LYS N . 27950 1 stop_ save_