data_26635 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26635 _Entry.Title ; Backbone 1H, and 15N Chemical Shift Assignments for human K-Ras4B-GDP ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-08-13 _Entry.Accession_date 2015-08-13 _Entry.Last_release_date 2015-09-11 _Entry.Original_release_date 2015-09-11 _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 . _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 Sherwin Abraham . . . . 26635 2 Tanmay Chavan . . . . 26635 3 Avik Banerjee . . . . 26635 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26635 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 171 26635 '1H chemical shifts' 171 26635 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 . . 2018-05-25 2015-08-13 update BMRB 'update entry citation' 26635 1 . . 2015-09-11 2015-08-13 original author 'original release' 26635 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26635 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1074/jbc.M117.785063 _Citation.PubMed_ID 28623230 _Citation.Full_citation . _Citation.Title ; Flexible-body motions of calmodulin and the farnesylated hypervariable region yield a high-affinity interaction enabling K-Ras4B membrane extraction ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 292 _Citation.Journal_issue 30 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1083-351X _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 12544 _Citation.Page_last 12559 _Citation.Year 2017 _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 Hyunbum Jang H. . . . 26635 1 2 Avik Banerjee A. . . . 26635 1 3 Tanmay Chavan T. . . . 26635 1 4 Vadim Gaponenko V. . . . 26635 1 5 Ruth Nussinov R. . . . 26635 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID GDP 26635 1 K-Ras 26635 1 'hypervariable region' 26635 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26635 _Assembly.ID 1 _Assembly.Name 'human K-Ras4B-GDP' _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 'human K-Ras4B-GDP' 1 $K-Ras4B A . yes native no no . . . 26635 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_K-Ras4B _Entity.Sf_category entity _Entity.Sf_framecode K-Ras4B _Entity.Entry_ID 26635 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name K-Ras4B _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 ; MTEYKLVVVGAGGVGKSALT IQLIQNHFVDEYDPTIEDSY RKQVVIDGETCLLDILDTAG QEEYSAMRDQYMRTGEGFLC VFAINNTKSFEDIHHYREQI KRVKDSEDVPMVLVGNKCDL PSRTVDTKQAQDLARSYGIP FIETSAKTRQGVDDAFYTLV REIRKHKEKMSKDGKKKKKK SKTKCVIM ; _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 188 _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 'C-terminally His-tagged protein' _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 26635 1 2 . THR . 26635 1 3 . GLU . 26635 1 4 . TYR . 26635 1 5 . LYS . 26635 1 6 . LEU . 26635 1 7 . VAL . 26635 1 8 . VAL . 26635 1 9 . VAL . 26635 1 10 . GLY . 26635 1 11 . ALA . 26635 1 12 . GLY . 26635 1 13 . GLY . 26635 1 14 . VAL . 26635 1 15 . GLY . 26635 1 16 . LYS . 26635 1 17 . SER . 26635 1 18 . ALA . 26635 1 19 . LEU . 26635 1 20 . THR . 26635 1 21 . ILE . 26635 1 22 . GLN . 26635 1 23 . LEU . 26635 1 24 . ILE . 26635 1 25 . GLN . 26635 1 26 . ASN . 26635 1 27 . HIS . 26635 1 28 . PHE . 26635 1 29 . VAL . 26635 1 30 . ASP . 26635 1 31 . GLU . 26635 1 32 . TYR . 26635 1 33 . ASP . 26635 1 34 . PRO . 26635 1 35 . THR . 26635 1 36 . ILE . 26635 1 37 . GLU . 26635 1 38 . ASP . 26635 1 39 . SER . 26635 1 40 . TYR . 26635 1 41 . ARG . 26635 1 42 . LYS . 26635 1 43 . GLN . 26635 1 44 . VAL . 26635 1 45 . VAL . 26635 1 46 . ILE . 26635 1 47 . ASP . 26635 1 48 . GLY . 26635 1 49 . GLU . 26635 1 50 . THR . 26635 1 51 . CYS . 26635 1 52 . LEU . 26635 1 53 . LEU . 26635 1 54 . ASP . 26635 1 55 . ILE . 26635 1 56 . LEU . 26635 1 57 . ASP . 26635 1 58 . THR . 26635 1 59 . ALA . 26635 1 60 . GLY . 26635 1 61 . GLN . 26635 1 62 . GLU . 26635 1 63 . GLU . 26635 1 64 . TYR . 26635 1 65 . SER . 26635 1 66 . ALA . 26635 1 67 . MET . 26635 1 68 . ARG . 26635 1 69 . ASP . 26635 1 70 . GLN . 26635 1 71 . TYR . 26635 1 72 . MET . 26635 1 73 . ARG . 26635 1 74 . THR . 26635 1 75 . GLY . 26635 1 76 . GLU . 26635 1 77 . GLY . 26635 1 78 . PHE . 26635 1 79 . LEU . 26635 1 80 . CYS . 26635 1 81 . VAL . 26635 1 82 . PHE . 26635 1 83 . ALA . 26635 1 84 . ILE . 26635 1 85 . ASN . 26635 1 86 . ASN . 26635 1 87 . THR . 26635 1 88 . LYS . 26635 1 89 . SER . 26635 1 90 . PHE . 26635 1 91 . GLU . 26635 1 92 . ASP . 26635 1 93 . ILE . 26635 1 94 . HIS . 26635 1 95 . HIS . 26635 1 96 . TYR . 26635 1 97 . ARG . 26635 1 98 . GLU . 26635 1 99 . GLN . 26635 1 100 . ILE . 26635 1 101 . LYS . 26635 1 102 . ARG . 26635 1 103 . VAL . 26635 1 104 . LYS . 26635 1 105 . ASP . 26635 1 106 . SER . 26635 1 107 . GLU . 26635 1 108 . ASP . 26635 1 109 . VAL . 26635 1 110 . PRO . 26635 1 111 . MET . 26635 1 112 . VAL . 26635 1 113 . LEU . 26635 1 114 . VAL . 26635 1 115 . GLY . 26635 1 116 . ASN . 26635 1 117 . LYS . 26635 1 118 . CYS . 26635 1 119 . ASP . 26635 1 120 . LEU . 26635 1 121 . PRO . 26635 1 122 . SER . 26635 1 123 . ARG . 26635 1 124 . THR . 26635 1 125 . VAL . 26635 1 126 . ASP . 26635 1 127 . THR . 26635 1 128 . LYS . 26635 1 129 . GLN . 26635 1 130 . ALA . 26635 1 131 . GLN . 26635 1 132 . ASP . 26635 1 133 . LEU . 26635 1 134 . ALA . 26635 1 135 . ARG . 26635 1 136 . SER . 26635 1 137 . TYR . 26635 1 138 . GLY . 26635 1 139 . ILE . 26635 1 140 . PRO . 26635 1 141 . PHE . 26635 1 142 . ILE . 26635 1 143 . GLU . 26635 1 144 . THR . 26635 1 145 . SER . 26635 1 146 . ALA . 26635 1 147 . LYS . 26635 1 148 . THR . 26635 1 149 . ARG . 26635 1 150 . GLN . 26635 1 151 . GLY . 26635 1 152 . VAL . 26635 1 153 . ASP . 26635 1 154 . ASP . 26635 1 155 . ALA . 26635 1 156 . PHE . 26635 1 157 . TYR . 26635 1 158 . THR . 26635 1 159 . LEU . 26635 1 160 . VAL . 26635 1 161 . ARG . 26635 1 162 . GLU . 26635 1 163 . ILE . 26635 1 164 . ARG . 26635 1 165 . LYS . 26635 1 166 . HIS . 26635 1 167 . LYS . 26635 1 168 . GLU . 26635 1 169 . LYS . 26635 1 170 . MET . 26635 1 171 . SER . 26635 1 172 . LYS . 26635 1 173 . ASP . 26635 1 174 . GLY . 26635 1 175 . LYS . 26635 1 176 . LYS . 26635 1 177 . LYS . 26635 1 178 . LYS . 26635 1 179 . LYS . 26635 1 180 . LYS . 26635 1 181 . SER . 26635 1 182 . LYS . 26635 1 183 . THR . 26635 1 184 . LYS . 26635 1 185 . CYS . 26635 1 186 . VAL . 26635 1 187 . ILE . 26635 1 188 . MET . 26635 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 26635 1 . THR 2 2 26635 1 . GLU 3 3 26635 1 . TYR 4 4 26635 1 . LYS 5 5 26635 1 . LEU 6 6 26635 1 . VAL 7 7 26635 1 . VAL 8 8 26635 1 . VAL 9 9 26635 1 . GLY 10 10 26635 1 . ALA 11 11 26635 1 . GLY 12 12 26635 1 . GLY 13 13 26635 1 . VAL 14 14 26635 1 . GLY 15 15 26635 1 . LYS 16 16 26635 1 . SER 17 17 26635 1 . ALA 18 18 26635 1 . LEU 19 19 26635 1 . THR 20 20 26635 1 . ILE 21 21 26635 1 . GLN 22 22 26635 1 . LEU 23 23 26635 1 . ILE 24 24 26635 1 . GLN 25 25 26635 1 . ASN 26 26 26635 1 . HIS 27 27 26635 1 . PHE 28 28 26635 1 . VAL 29 29 26635 1 . ASP 30 30 26635 1 . GLU 31 31 26635 1 . TYR 32 32 26635 1 . ASP 33 33 26635 1 . PRO 34 34 26635 1 . THR 35 35 26635 1 . ILE 36 36 26635 1 . GLU 37 37 26635 1 . ASP 38 38 26635 1 . SER 39 39 26635 1 . TYR 40 40 26635 1 . ARG 41 41 26635 1 . LYS 42 42 26635 1 . GLN 43 43 26635 1 . VAL 44 44 26635 1 . VAL 45 45 26635 1 . ILE 46 46 26635 1 . ASP 47 47 26635 1 . GLY 48 48 26635 1 . GLU 49 49 26635 1 . THR 50 50 26635 1 . CYS 51 51 26635 1 . LEU 52 52 26635 1 . LEU 53 53 26635 1 . ASP 54 54 26635 1 . ILE 55 55 26635 1 . LEU 56 56 26635 1 . ASP 57 57 26635 1 . THR 58 58 26635 1 . ALA 59 59 26635 1 . GLY 60 60 26635 1 . GLN 61 61 26635 1 . GLU 62 62 26635 1 . GLU 63 63 26635 1 . TYR 64 64 26635 1 . SER 65 65 26635 1 . ALA 66 66 26635 1 . MET 67 67 26635 1 . ARG 68 68 26635 1 . ASP 69 69 26635 1 . GLN 70 70 26635 1 . TYR 71 71 26635 1 . MET 72 72 26635 1 . ARG 73 73 26635 1 . THR 74 74 26635 1 . GLY 75 75 26635 1 . GLU 76 76 26635 1 . GLY 77 77 26635 1 . PHE 78 78 26635 1 . LEU 79 79 26635 1 . CYS 80 80 26635 1 . VAL 81 81 26635 1 . PHE 82 82 26635 1 . ALA 83 83 26635 1 . ILE 84 84 26635 1 . ASN 85 85 26635 1 . ASN 86 86 26635 1 . THR 87 87 26635 1 . LYS 88 88 26635 1 . SER 89 89 26635 1 . PHE 90 90 26635 1 . GLU 91 91 26635 1 . ASP 92 92 26635 1 . ILE 93 93 26635 1 . HIS 94 94 26635 1 . HIS 95 95 26635 1 . TYR 96 96 26635 1 . ARG 97 97 26635 1 . GLU 98 98 26635 1 . GLN 99 99 26635 1 . ILE 100 100 26635 1 . LYS 101 101 26635 1 . ARG 102 102 26635 1 . VAL 103 103 26635 1 . LYS 104 104 26635 1 . ASP 105 105 26635 1 . SER 106 106 26635 1 . GLU 107 107 26635 1 . ASP 108 108 26635 1 . VAL 109 109 26635 1 . PRO 110 110 26635 1 . MET 111 111 26635 1 . VAL 112 112 26635 1 . LEU 113 113 26635 1 . VAL 114 114 26635 1 . GLY 115 115 26635 1 . ASN 116 116 26635 1 . LYS 117 117 26635 1 . CYS 118 118 26635 1 . ASP 119 119 26635 1 . LEU 120 120 26635 1 . PRO 121 121 26635 1 . SER 122 122 26635 1 . ARG 123 123 26635 1 . THR 124 124 26635 1 . VAL 125 125 26635 1 . ASP 126 126 26635 1 . THR 127 127 26635 1 . LYS 128 128 26635 1 . GLN 129 129 26635 1 . ALA 130 130 26635 1 . GLN 131 131 26635 1 . ASP 132 132 26635 1 . LEU 133 133 26635 1 . ALA 134 134 26635 1 . ARG 135 135 26635 1 . SER 136 136 26635 1 . TYR 137 137 26635 1 . GLY 138 138 26635 1 . ILE 139 139 26635 1 . PRO 140 140 26635 1 . PHE 141 141 26635 1 . ILE 142 142 26635 1 . GLU 143 143 26635 1 . THR 144 144 26635 1 . SER 145 145 26635 1 . ALA 146 146 26635 1 . LYS 147 147 26635 1 . THR 148 148 26635 1 . ARG 149 149 26635 1 . GLN 150 150 26635 1 . GLY 151 151 26635 1 . VAL 152 152 26635 1 . ASP 153 153 26635 1 . ASP 154 154 26635 1 . ALA 155 155 26635 1 . PHE 156 156 26635 1 . TYR 157 157 26635 1 . THR 158 158 26635 1 . LEU 159 159 26635 1 . VAL 160 160 26635 1 . ARG 161 161 26635 1 . GLU 162 162 26635 1 . ILE 163 163 26635 1 . ARG 164 164 26635 1 . LYS 165 165 26635 1 . HIS 166 166 26635 1 . LYS 167 167 26635 1 . GLU 168 168 26635 1 . LYS 169 169 26635 1 . MET 170 170 26635 1 . SER 171 171 26635 1 . LYS 172 172 26635 1 . ASP 173 173 26635 1 . GLY 174 174 26635 1 . LYS 175 175 26635 1 . LYS 176 176 26635 1 . LYS 177 177 26635 1 . LYS 178 178 26635 1 . LYS 179 179 26635 1 . LYS 180 180 26635 1 . SER 181 181 26635 1 . LYS 182 182 26635 1 . THR 183 183 26635 1 . LYS 184 184 26635 1 . CYS 185 185 26635 1 . VAL 186 186 26635 1 . ILE 187 187 26635 1 . MET 188 188 26635 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 26635 _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 $K-Ras4B . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 26635 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 26635 _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 $K-Ras4B . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . PET42a . . . 26635 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26635 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 K-Ras4B '[U-13C; U-15N]' . . 1 $K-Ras4B . . . . . mM . . . . 26635 1 2 H2O 'natural abundance' . . . . . . 90 . . '% v/v' . . . . 26635 1 3 D2O '[U-100% 2H]' . . . . . . 10 . . '% v/v' . . . . 26635 1 4 TRIS 'natural abundance' . . . . . . 50 . . mM . . . . 26635 1 5 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 26635 1 6 'magenesium cloride' 'natural abundance' . . . . . . 10 . . mM . . . . 26635 1 7 beta-mercaptoethanol 'natural abundance' . . . . . . 5 . . mM . . . . 26635 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 26635 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.105 . M 26635 1 pH 6.5 . pH 26635 1 pressure 1 . atm 26635 1 temperature 298 . K 26635 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 26635 _Software.ID 1 _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' . . 26635 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 26635 1 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 26635 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 26635 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 26635 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 26635 _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 . . . . . . . . . . . . . . . . 26635 1 2 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26635 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26635 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26635 1 5 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26635 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 26635 _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 H 1 DSS 'methyl protons' . . . . ppm 0 na direct 1.0 . . . . . 26635 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 26635 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 26635 1 2 '3D HN(CO)CA' . . . 26635 1 3 '3D CBCA(CO)NH' . . . 26635 1 4 '3D HNCA' . . . 26635 1 5 '2D 1H-1H NOESY' . . . 26635 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 THR H H 1 8.786 0.01 . 1 . . . . . 2 THR H . 26635 1 2 . 1 1 2 2 THR N N 15 124.13 0.01 . 1 . . . . . 2 THR N . 26635 1 3 . 1 1 3 3 GLU H H 1 8.388 0.01 . 1 . . . . . 3 GLU H . 26635 1 4 . 1 1 3 3 GLU N N 15 127.30 0.01 . 1 . . . . . 3 GLU N . 26635 1 5 . 1 1 4 4 TYR H H 1 8.716 0.01 . 1 . . . . . 4 TYR H . 26635 1 6 . 1 1 4 4 TYR N N 15 121.83 0.01 . 1 . . . . . 4 TYR N . 26635 1 7 . 1 1 5 5 LYS H H 1 9.126 0.01 . 1 . . . . . 5 LYS H . 26635 1 8 . 1 1 5 5 LYS N N 15 124.57 0.01 . 1 . . . . . 5 LYS N . 26635 1 9 . 1 1 6 6 LEU H H 1 9.506 0.01 . 1 . . . . . 6 LEU H . 26635 1 10 . 1 1 6 6 LEU N N 15 126.87 0.01 . 1 . . . . . 6 LEU N . 26635 1 11 . 1 1 8 8 VAL H H 1 8.941 0.01 . 1 . . . . . 8 VAL H . 26635 1 12 . 1 1 8 8 VAL N N 15 129.09 0.01 . 1 . . . . . 8 VAL N . 26635 1 13 . 1 1 9 9 VAL H H 1 9.116 0.01 . 1 . . . . . 9 VAL H . 26635 1 14 . 1 1 9 9 VAL N N 15 120.54 0.01 . 1 . . . . . 9 VAL N . 26635 1 15 . 1 1 10 10 GLY H H 1 7.079 0.01 . 1 . . . . . 10 GLY H . 26635 1 16 . 1 1 10 10 GLY N N 15 107.47 0.01 . 1 . . . . . 10 GLY N . 26635 1 17 . 1 1 11 11 ALA H H 1 9.140 0.01 . 1 . . . . . 11 ALA H . 26635 1 18 . 1 1 11 11 ALA N N 15 123.77 0.01 . 1 . . . . . 11 ALA N . 26635 1 19 . 1 1 12 12 GLY H H 1 8.581 0.01 . 1 . . . . . 12 GLY H . 26635 1 20 . 1 1 12 12 GLY N N 15 106.33 0.01 . 1 . . . . . 12 GLY N . 26635 1 21 . 1 1 13 13 GLY H H 1 10.501 0.01 . 1 . . . . . 13 GLY H . 26635 1 22 . 1 1 13 13 GLY N N 15 115.17 0.01 . 1 . . . . . 13 GLY N . 26635 1 23 . 1 1 15 15 GLY H H 1 8.544 0.01 . 1 . . . . . 15 GLY H . 26635 1 24 . 1 1 15 15 GLY N N 15 109.60 0.01 . 1 . . . . . 15 GLY N . 26635 1 25 . 1 1 17 17 SER H H 1 9.298 0.01 . 1 . . . . . 17 SER H . 26635 1 26 . 1 1 17 17 SER N N 15 120.46 0.01 . 1 . . . . . 17 SER N . 26635 1 27 . 1 1 18 18 ALA H H 1 9.460 0.01 . 1 . . . . . 18 ALA H . 26635 1 28 . 1 1 18 18 ALA N N 15 125.42 0.01 . 1 . . . . . 18 ALA N . 26635 1 29 . 1 1 19 19 LEU H H 1 8.991 0.01 . 1 . . . . . 19 LEU H . 26635 1 30 . 1 1 19 19 LEU N N 15 120.40 0.01 . 1 . . . . . 19 LEU N . 26635 1 31 . 1 1 20 20 THR H H 1 7.708 0.01 . 1 . . . . . 20 THR H . 26635 1 32 . 1 1 20 20 THR N N 15 116.87 0.01 . 1 . . . . . 20 THR N . 26635 1 33 . 1 1 21 21 ILE H H 1 8.863 0.01 . 1 . . . . . 21 ILE H . 26635 1 34 . 1 1 21 21 ILE N N 15 120.74 0.01 . 1 . . . . . 21 ILE N . 26635 1 35 . 1 1 22 22 GLN H H 1 7.813 0.01 . 1 . . . . . 22 GLN H . 26635 1 36 . 1 1 22 22 GLN N N 15 120.93 0.01 . 1 . . . . . 22 GLN N . 26635 1 37 . 1 1 23 23 LEU H H 1 7.609 0.01 . 1 . . . . . 23 LEU H . 26635 1 38 . 1 1 23 23 LEU N N 15 120.74 0.01 . 1 . . . . . 23 LEU N . 26635 1 39 . 1 1 24 24 ILE H H 1 8.005 0.01 . 1 . . . . . 24 ILE H . 26635 1 40 . 1 1 24 24 ILE N N 15 114.14 0.01 . 1 . . . . . 24 ILE N . 26635 1 41 . 1 1 25 25 GLN H H 1 8.954 0.01 . 1 . . . . . 25 GLN H . 26635 1 42 . 1 1 25 25 GLN N N 15 116.02 0.01 . 1 . . . . . 25 GLN N . 26635 1 43 . 1 1 26 26 ASN H H 1 7.918 0.01 . 1 . . . . . 26 ASN H . 26635 1 44 . 1 1 26 26 ASN N N 15 116.15 0.01 . 1 . . . . . 26 ASN N . 26635 1 45 . 1 1 28 28 PHE H H 1 8.433 0.01 . 1 . . . . . 28 PHE H . 26635 1 46 . 1 1 28 28 PHE N N 15 122.56 0.01 . 1 . . . . . 28 PHE N . 26635 1 47 . 1 1 29 29 VAL H H 1 7.646 0.01 . 1 . . . . . 29 VAL H . 26635 1 48 . 1 1 29 29 VAL N N 15 126.06 0.01 . 1 . . . . . 29 VAL N . 26635 1 49 . 1 1 30 30 ASP H H 1 7.744 0.01 . 1 . . . . . 30 ASP H . 26635 1 50 . 1 1 30 30 ASP N N 15 122.34 0.01 . 1 . . . . . 30 ASP N . 26635 1 51 . 1 1 31 31 GLU H H 1 7.635 0.01 . 1 . . . . . 31 GLU H . 26635 1 52 . 1 1 31 31 GLU N N 15 119.79 0.01 . 1 . . . . . 31 GLU N . 26635 1 53 . 1 1 32 32 TYR H H 1 8.762 0.01 . 1 . . . . . 32 TYR H . 26635 1 54 . 1 1 32 32 TYR N N 15 125.66 0.01 . 1 . . . . . 32 TYR N . 26635 1 55 . 1 1 33 33 ASP H H 1 7.818 0.01 . 1 . . . . . 33 ASP H . 26635 1 56 . 1 1 33 33 ASP N N 15 128.89 0.01 . 1 . . . . . 33 ASP N . 26635 1 57 . 1 1 35 35 THR H H 1 8.951 0.01 . 1 . . . . . 35 THR H . 26635 1 58 . 1 1 35 35 THR N N 15 109.93 0.01 . 1 . . . . . 35 THR N . 26635 1 59 . 1 1 36 36 ILE H H 1 6.776 0.01 . 1 . . . . . 36 ILE H . 26635 1 60 . 1 1 36 36 ILE N N 15 120.90 0.01 . 1 . . . . . 36 ILE N . 26635 1 61 . 1 1 37 37 GLU H H 1 8.383 0.01 . 1 . . . . . 37 GLU H . 26635 1 62 . 1 1 37 37 GLU N N 15 132.24 0.01 . 1 . . . . . 37 GLU N . 26635 1 63 . 1 1 38 38 ASP H H 1 8.114 0.01 . 1 . . . . . 38 ASP H . 26635 1 64 . 1 1 38 38 ASP N N 15 124.48 0.01 . 1 . . . . . 38 ASP N . 26635 1 65 . 1 1 39 39 SER H H 1 8.363 0.01 . 1 . . . . . 39 SER H . 26635 1 66 . 1 1 39 39 SER N N 15 114.04 0.01 . 1 . . . . . 39 SER N . 26635 1 67 . 1 1 40 40 TYR H H 1 9.065 0.01 . 1 . . . . . 40 TYR H . 26635 1 68 . 1 1 40 40 TYR N N 15 121.28 0.01 . 1 . . . . . 40 TYR N . 26635 1 69 . 1 1 41 41 ARG H H 1 8.348 0.01 . 1 . . . . . 41 ARG H . 26635 1 70 . 1 1 41 41 ARG N N 15 119.75 0.01 . 1 . . . . . 41 ARG N . 26635 1 71 . 1 1 42 42 LYS H H 1 8.516 0.01 . 1 . . . . . 42 LYS H . 26635 1 72 . 1 1 42 42 LYS N N 15 122.27 0.01 . 1 . . . . . 42 LYS N . 26635 1 73 . 1 1 43 43 GLN H H 1 8.800 0.01 . 1 . . . . . 43 GLN H . 26635 1 74 . 1 1 43 43 GLN N N 15 128.92 0.01 . 1 . . . . . 43 GLN N . 26635 1 75 . 1 1 44 44 VAL H H 1 9.056 0.01 . 1 . . . . . 44 VAL H . 26635 1 76 . 1 1 44 44 VAL N N 15 121.20 0.01 . 1 . . . . . 44 VAL N . 26635 1 77 . 1 1 46 46 ILE H H 1 8.259 0.01 . 1 . . . . . 46 ILE H . 26635 1 78 . 1 1 46 46 ILE N N 15 126.36 0.01 . 1 . . . . . 46 ILE N . 26635 1 79 . 1 1 47 47 ASP H H 1 9.498 0.01 . 1 . . . . . 47 ASP H . 26635 1 80 . 1 1 47 47 ASP N N 15 130.34 0.01 . 1 . . . . . 47 ASP N . 26635 1 81 . 1 1 48 48 GLY H H 1 8.231 0.01 . 1 . . . . . 48 GLY H . 26635 1 82 . 1 1 48 48 GLY N N 15 103.52 0.01 . 1 . . . . . 48 GLY N . 26635 1 83 . 1 1 49 49 GLU H H 1 7.656 0.01 . 1 . . . . . 49 GLU H . 26635 1 84 . 1 1 49 49 GLU N N 15 123.08 0.01 . 1 . . . . . 49 GLU N . 26635 1 85 . 1 1 50 50 THR H H 1 8.920 0.01 . 1 . . . . . 50 THR H . 26635 1 86 . 1 1 50 50 THR N N 15 126.12 0.01 . 1 . . . . . 50 THR N . 26635 1 87 . 1 1 51 51 CYS H H 1 9.338 0.01 . 1 . . . . . 51 CYS H . 26635 1 88 . 1 1 51 51 CYS N N 15 125.48 0.01 . 1 . . . . . 51 CYS N . 26635 1 89 . 1 1 52 52 LEU H H 1 8.706 0.01 . 1 . . . . . 52 LEU H . 26635 1 90 . 1 1 52 52 LEU N N 15 122.94 0.01 . 1 . . . . . 52 LEU N . 26635 1 91 . 1 1 53 53 LEU H H 1 9.031 0.01 . 1 . . . . . 53 LEU H . 26635 1 92 . 1 1 53 53 LEU N N 15 124.20 0.01 . 1 . . . . . 53 LEU N . 26635 1 93 . 1 1 54 54 ASP H H 1 8.630 0.01 . 1 . . . . . 54 ASP H . 26635 1 94 . 1 1 54 54 ASP N N 15 125.66 0.01 . 1 . . . . . 54 ASP N . 26635 1 95 . 1 1 55 55 ILE H H 1 9.144 0.01 . 1 . . . . . 55 ILE H . 26635 1 96 . 1 1 55 55 ILE N N 15 123.77 0.01 . 1 . . . . . 55 ILE N . 26635 1 97 . 1 1 56 56 LEU H H 1 8.619 0.01 . 1 . . . . . 56 LEU H . 26635 1 98 . 1 1 56 56 LEU N N 15 127.51 0.01 . 1 . . . . . 56 LEU N . 26635 1 99 . 1 1 57 57 ASP H H 1 8.432 0.01 . 1 . . . . . 57 ASP H . 26635 1 100 . 1 1 57 57 ASP N N 15 129.29 0.01 . 1 . . . . . 57 ASP N . 26635 1 101 . 1 1 58 58 THR H H 1 6.703 0.01 . 1 . . . . . 58 THR H . 26635 1 102 . 1 1 58 58 THR N N 15 110.03 0.01 . 1 . . . . . 58 THR N . 26635 1 103 . 1 1 59 59 ALA H H 1 9.046 0.01 . 1 . . . . . 59 ALA H . 26635 1 104 . 1 1 59 59 ALA N N 15 121.86 0.01 . 1 . . . . . 59 ALA N . 26635 1 105 . 1 1 60 60 GLY H H 1 8.230 0.01 . 1 . . . . . 60 GLY H . 26635 1 106 . 1 1 60 60 GLY N N 15 108.01 0.01 . 1 . . . . . 60 GLY N . 26635 1 107 . 1 1 61 61 GLN H H 1 8.559 0.01 . 1 . . . . . 61 GLN H . 26635 1 108 . 1 1 61 61 GLN N N 15 119.12 0.01 . 1 . . . . . 61 GLN N . 26635 1 109 . 1 1 62 62 GLU H H 1 8.681 0.01 . 1 . . . . . 62 GLU H . 26635 1 110 . 1 1 62 62 GLU N N 15 120.61 0.01 . 1 . . . . . 62 GLU N . 26635 1 111 . 1 1 63 63 GLU H H 1 8.255 0.01 . 1 . . . . . 63 GLU H . 26635 1 112 . 1 1 63 63 GLU N N 15 120.16 0.01 . 1 . . . . . 63 GLU N . 26635 1 113 . 1 1 64 64 TYR H H 1 8.244 0.01 . 1 . . . . . 64 TYR H . 26635 1 114 . 1 1 64 64 TYR N N 15 121.13 0.01 . 1 . . . . . 64 TYR N . 26635 1 115 . 1 1 65 65 SER H H 1 7.833 0.01 . 1 . . . . . 65 SER H . 26635 1 116 . 1 1 65 65 SER N N 15 120.39 0.01 . 1 . . . . . 65 SER N . 26635 1 117 . 1 1 66 66 ALA H H 1 8.126 0.01 . 1 . . . . . 66 ALA H . 26635 1 118 . 1 1 66 66 ALA N N 15 121.32 0.01 . 1 . . . . . 66 ALA N . 26635 1 119 . 1 1 67 67 MET H H 1 8.214 0.01 . 1 . . . . . 67 MET H . 26635 1 120 . 1 1 67 67 MET N N 15 117.79 0.01 . 1 . . . . . 67 MET N . 26635 1 121 . 1 1 68 68 ARG H H 1 7.813 0.01 . 1 . . . . . 68 ARG H . 26635 1 122 . 1 1 68 68 ARG N N 15 120.93 0.01 . 1 . . . . . 68 ARG N . 26635 1 123 . 1 1 69 69 ASP H H 1 8.074 0.01 . 1 . . . . . 69 ASP H . 26635 1 124 . 1 1 69 69 ASP N N 15 118.58 0.01 . 1 . . . . . 69 ASP N . 26635 1 125 . 1 1 70 70 GLN H H 1 7.785 0.01 . 1 . . . . . 70 GLN H . 26635 1 126 . 1 1 70 70 GLN N N 15 117.49 0.01 . 1 . . . . . 70 GLN N . 26635 1 127 . 1 1 71 71 TYR H H 1 8.217 0.01 . 1 . . . . . 71 TYR H . 26635 1 128 . 1 1 71 71 TYR N N 15 119.39 0.01 . 1 . . . . . 71 TYR N . 26635 1 129 . 1 1 72 72 MET H H 1 8.433 0.01 . 1 . . . . . 72 MET H . 26635 1 130 . 1 1 72 72 MET N N 15 118.73 0.01 . 1 . . . . . 72 MET N . 26635 1 131 . 1 1 73 73 ARG H H 1 7.922 0.01 . 1 . . . . . 73 ARG H . 26635 1 132 . 1 1 73 73 ARG N N 15 115.71 0.01 . 1 . . . . . 73 ARG N . 26635 1 133 . 1 1 74 74 THR H H 1 7.886 0.01 . 1 . . . . . 74 THR H . 26635 1 134 . 1 1 74 74 THR N N 15 108.05 0.01 . 1 . . . . . 74 THR N . 26635 1 135 . 1 1 75 75 GLY H H 1 7.952 0.01 . 1 . . . . . 75 GLY H . 26635 1 136 . 1 1 75 75 GLY N N 15 111.25 0.01 . 1 . . . . . 75 GLY N . 26635 1 137 . 1 1 76 76 GLU H H 1 8.842 0.01 . 1 . . . . . 76 GLU H . 26635 1 138 . 1 1 76 76 GLU N N 15 121.94 0.01 . 1 . . . . . 76 GLU N . 26635 1 139 . 1 1 77 77 GLY H H 1 7.135 0.01 . 1 . . . . . 77 GLY H . 26635 1 140 . 1 1 77 77 GLY N N 15 100.83 0.01 . 1 . . . . . 77 GLY N . 26635 1 141 . 1 1 78 78 PHE H H 1 8.126 0.01 . 1 . . . . . 78 PHE H . 26635 1 142 . 1 1 78 78 PHE N N 15 121.31 0.01 . 1 . . . . . 78 PHE N . 26635 1 143 . 1 1 79 79 LEU H H 1 9.175 0.01 . 1 . . . . . 79 LEU H . 26635 1 144 . 1 1 79 79 LEU N N 15 126.93 0.01 . 1 . . . . . 79 LEU N . 26635 1 145 . 1 1 80 80 CYS H H 1 8.679 0.01 . 1 . . . . . 80 CYS H . 26635 1 146 . 1 1 80 80 CYS N N 15 124.71 0.01 . 1 . . . . . 80 CYS N . 26635 1 147 . 1 1 81 81 VAL H H 1 9.010 0.01 . 1 . . . . . 81 VAL H . 26635 1 148 . 1 1 81 81 VAL N N 15 126.42 0.01 . 1 . . . . . 81 VAL N . 26635 1 149 . 1 1 82 82 PHE H H 1 9.253 0.01 . 1 . . . . . 82 PHE H . 26635 1 150 . 1 1 82 82 PHE N N 15 123.64 0.01 . 1 . . . . . 82 PHE N . 26635 1 151 . 1 1 83 83 ALA H H 1 8.688 0.01 . 1 . . . . . 83 ALA H . 26635 1 152 . 1 1 83 83 ALA N N 15 121.38 0.01 . 1 . . . . . 83 ALA N . 26635 1 153 . 1 1 84 84 ILE H H 1 8.452 0.01 . 1 . . . . . 84 ILE H . 26635 1 154 . 1 1 84 84 ILE N N 15 113.56 0.01 . 1 . . . . . 84 ILE N . 26635 1 155 . 1 1 85 85 ASN H H 1 7.839 0.01 . 1 . . . . . 85 ASN H . 26635 1 156 . 1 1 85 85 ASN N N 15 116.95 0.01 . 1 . . . . . 85 ASN N . 26635 1 157 . 1 1 86 86 ASN H H 1 7.833 0.01 . 1 . . . . . 86 ASN H . 26635 1 158 . 1 1 86 86 ASN N N 15 119.23 0.01 . 1 . . . . . 86 ASN N . 26635 1 159 . 1 1 87 87 THR H H 1 8.571 0.01 . 1 . . . . . 87 THR H . 26635 1 160 . 1 1 87 87 THR N N 15 121.80 0.01 . 1 . . . . . 87 THR N . 26635 1 161 . 1 1 88 88 LYS H H 1 8.397 0.01 . 1 . . . . . 88 LYS H . 26635 1 162 . 1 1 88 88 LYS N N 15 124.10 0.01 . 1 . . . . . 88 LYS N . 26635 1 163 . 1 1 89 89 SER H H 1 8.028 0.01 . 1 . . . . . 89 SER H . 26635 1 164 . 1 1 89 89 SER N N 15 114.36 0.01 . 1 . . . . . 89 SER N . 26635 1 165 . 1 1 90 90 PHE H H 1 7.369 0.01 . 1 . . . . . 90 PHE H . 26635 1 166 . 1 1 90 90 PHE N N 15 124.67 0.01 . 1 . . . . . 90 PHE N . 26635 1 167 . 1 1 91 91 GLU H H 1 8.401 0.01 . 1 . . . . . 91 GLU H . 26635 1 168 . 1 1 91 91 GLU N N 15 121.86 0.01 . 1 . . . . . 91 GLU N . 26635 1 169 . 1 1 92 92 ASP H H 1 8.421 0.01 . 1 . . . . . 92 ASP H . 26635 1 170 . 1 1 92 92 ASP N N 15 116.88 0.01 . 1 . . . . . 92 ASP N . 26635 1 171 . 1 1 93 93 ILE H H 1 7.551 0.01 . 1 . . . . . 93 ILE H . 26635 1 172 . 1 1 93 93 ILE N N 15 120.71 0.01 . 1 . . . . . 93 ILE N . 26635 1 173 . 1 1 94 94 HIS H H 1 7.651 0.01 . 1 . . . . . 94 HIS H . 26635 1 174 . 1 1 94 94 HIS N N 15 116.95 0.01 . 1 . . . . . 94 HIS N . 26635 1 175 . 1 1 95 95 HIS H H 1 7.196 0.01 . 1 . . . . . 95 HIS H . 26635 1 176 . 1 1 95 95 HIS N N 15 117.18 0.01 . 1 . . . . . 95 HIS N . 26635 1 177 . 1 1 96 96 TYR H H 1 7.670 0.01 . 1 . . . . . 96 TYR H . 26635 1 178 . 1 1 96 96 TYR N N 15 118.89 0.01 . 1 . . . . . 96 TYR N . 26635 1 179 . 1 1 97 97 ARG H H 1 8.434 0.01 . 1 . . . . . 97 ARG H . 26635 1 180 . 1 1 97 97 ARG N N 15 118.73 0.01 . 1 . . . . . 97 ARG N . 26635 1 181 . 1 1 98 98 GLU H H 1 7.884 0.01 . 1 . . . . . 98 GLU H . 26635 1 182 . 1 1 98 98 GLU N N 15 117.63 0.01 . 1 . . . . . 98 GLU N . 26635 1 183 . 1 1 99 99 GLN H H 1 7.819 0.01 . 1 . . . . . 99 GLN H . 26635 1 184 . 1 1 99 99 GLN N N 15 120.10 0.01 . 1 . . . . . 99 GLN N . 26635 1 185 . 1 1 100 100 ILE H H 1 7.635 0.01 . 1 . . . . . 100 ILE H . 26635 1 186 . 1 1 100 100 ILE N N 15 119.78 0.01 . 1 . . . . . 100 ILE N . 26635 1 187 . 1 1 101 101 LYS H H 1 7.784 0.01 . 1 . . . . . 101 LYS H . 26635 1 188 . 1 1 101 101 LYS N N 15 117.50 0.01 . 1 . . . . . 101 LYS N . 26635 1 189 . 1 1 102 102 ARG H H 1 7.693 0.01 . 1 . . . . . 102 ARG H . 26635 1 190 . 1 1 102 102 ARG N N 15 117.69 0.01 . 1 . . . . . 102 ARG N . 26635 1 191 . 1 1 103 103 VAL H H 1 7.987 0.01 . 1 . . . . . 103 VAL H . 26635 1 192 . 1 1 103 103 VAL N N 15 118.05 0.01 . 1 . . . . . 103 VAL N . 26635 1 193 . 1 1 104 104 LYS H H 1 7.947 0.01 . 1 . . . . . 104 LYS H . 26635 1 194 . 1 1 104 104 LYS N N 15 117.23 0.01 . 1 . . . . . 104 LYS N . 26635 1 195 . 1 1 105 105 ASP H H 1 7.919 0.01 . 1 . . . . . 105 ASP H . 26635 1 196 . 1 1 105 105 ASP N N 15 120.87 0.01 . 1 . . . . . 105 ASP N . 26635 1 197 . 1 1 106 106 SER H H 1 7.549 0.01 . 1 . . . . . 106 SER H . 26635 1 198 . 1 1 106 106 SER N N 15 109.10 0.01 . 1 . . . . . 106 SER N . 26635 1 199 . 1 1 107 107 GLU H H 1 8.350 0.01 . 1 . . . . . 107 GLU H . 26635 1 200 . 1 1 107 107 GLU N N 15 121.68 0.01 . 1 . . . . . 107 GLU N . 26635 1 201 . 1 1 108 108 ASP H H 1 8.321 0.01 . 1 . . . . . 108 ASP H . 26635 1 202 . 1 1 108 108 ASP N N 15 121.35 0.01 . 1 . . . . . 108 ASP N . 26635 1 203 . 1 1 109 109 VAL H H 1 7.525 0.01 . 1 . . . . . 109 VAL H . 26635 1 204 . 1 1 109 109 VAL N N 15 121.48 0.01 . 1 . . . . . 109 VAL N . 26635 1 205 . 1 1 111 111 MET H H 1 8.123 0.01 . 1 . . . . . 111 MET H . 26635 1 206 . 1 1 111 111 MET N N 15 122.67 0.01 . 1 . . . . . 111 MET N . 26635 1 207 . 1 1 112 112 VAL H H 1 7.979 0.01 . 1 . . . . . 112 VAL H . 26635 1 208 . 1 1 112 112 VAL N N 15 118.06 0.01 . 1 . . . . . 112 VAL N . 26635 1 209 . 1 1 113 113 LEU H H 1 8.903 0.01 . 1 . . . . . 113 LEU H . 26635 1 210 . 1 1 113 113 LEU N N 15 128.87 0.01 . 1 . . . . . 113 LEU N . 26635 1 211 . 1 1 114 114 VAL H H 1 9.157 0.01 . 1 . . . . . 114 VAL H . 26635 1 212 . 1 1 114 114 VAL N N 15 128.17 0.01 . 1 . . . . . 114 VAL N . 26635 1 213 . 1 1 115 115 GLY H H 1 8.158 0.01 . 1 . . . . . 115 GLY H . 26635 1 214 . 1 1 115 115 GLY N N 15 113.46 0.01 . 1 . . . . . 115 GLY N . 26635 1 215 . 1 1 116 116 ASN H H 1 8.758 0.01 . 1 . . . . . 116 ASN H . 26635 1 216 . 1 1 116 116 ASN N N 15 121.47 0.01 . 1 . . . . . 116 ASN N . 26635 1 217 . 1 1 118 118 CYS H H 1 8.634 0.01 . 1 . . . . . 118 CYS H . 26635 1 218 . 1 1 118 118 CYS N N 15 114.09 0.01 . 1 . . . . . 118 CYS N . 26635 1 219 . 1 1 119 119 ASP H H 1 8.548 0.01 . 1 . . . . . 119 ASP H . 26635 1 220 . 1 1 119 119 ASP N N 15 116.88 0.01 . 1 . . . . . 119 ASP N . 26635 1 221 . 1 1 120 120 LEU H H 1 7.759 0.01 . 1 . . . . . 120 LEU H . 26635 1 222 . 1 1 120 120 LEU N N 15 121.57 0.01 . 1 . . . . . 120 LEU N . 26635 1 223 . 1 1 122 122 SER H H 1 7.222 0.01 . 1 . . . . . 122 SER H . 26635 1 224 . 1 1 122 122 SER N N 15 113.12 0.01 . 1 . . . . . 122 SER N . 26635 1 225 . 1 1 124 124 THR H H 1 9.012 0.01 . 1 . . . . . 124 THR H . 26635 1 226 . 1 1 124 124 THR N N 15 114.21 0.01 . 1 . . . . . 124 THR N . 26635 1 227 . 1 1 125 125 VAL H H 1 7.508 0.01 . 1 . . . . . 125 VAL H . 26635 1 228 . 1 1 125 125 VAL N N 15 124.21 0.01 . 1 . . . . . 125 VAL N . 26635 1 229 . 1 1 126 126 ASP H H 1 8.557 0.01 . 1 . . . . . 126 ASP H . 26635 1 230 . 1 1 126 126 ASP N N 15 128.45 0.01 . 1 . . . . . 126 ASP N . 26635 1 231 . 1 1 128 128 LYS H H 1 8.368 0.01 . 1 . . . . . 128 LYS H . 26635 1 232 . 1 1 128 128 LYS N N 15 121.06 0.01 . 1 . . . . . 128 LYS N . 26635 1 233 . 1 1 129 129 GLN H H 1 7.295 0.01 . 1 . . . . . 129 GLN H . 26635 1 234 . 1 1 129 129 GLN N N 15 117.49 0.01 . 1 . . . . . 129 GLN N . 26635 1 235 . 1 1 130 130 ALA H H 1 7.045 0.01 . 1 . . . . . 130 ALA H . 26635 1 236 . 1 1 130 130 ALA N N 15 122.45 0.01 . 1 . . . . . 130 ALA N . 26635 1 237 . 1 1 131 131 GLN H H 1 8.383 0.01 . 1 . . . . . 131 GLN H . 26635 1 238 . 1 1 131 131 GLN N N 15 117.82 0.01 . 1 . . . . . 131 GLN N . 26635 1 239 . 1 1 132 132 ASP H H 1 8.478 0.01 . 1 . . . . . 132 ASP H . 26635 1 240 . 1 1 132 132 ASP N N 15 120.40 0.01 . 1 . . . . . 132 ASP N . 26635 1 241 . 1 1 133 133 LEU H H 1 7.477 0.01 . 1 . . . . . 133 LEU H . 26635 1 242 . 1 1 133 133 LEU N N 15 123.60 0.01 . 1 . . . . . 133 LEU N . 26635 1 243 . 1 1 134 134 ALA H H 1 8.206 0.01 . 1 . . . . . 134 ALA H . 26635 1 244 . 1 1 134 134 ALA N N 15 121.60 0.01 . 1 . . . . . 134 ALA N . 26635 1 245 . 1 1 135 135 ARG H H 1 8.420 0.01 . 1 . . . . . 135 ARG H . 26635 1 246 . 1 1 135 135 ARG N N 15 118.25 0.01 . 1 . . . . . 135 ARG N . 26635 1 247 . 1 1 136 136 SER H H 1 7.885 0.01 . 1 . . . . . 136 SER H . 26635 1 248 . 1 1 136 136 SER N N 15 117.64 0.01 . 1 . . . . . 136 SER N . 26635 1 249 . 1 1 137 137 TYR H H 1 7.529 0.01 . 1 . . . . . 137 TYR H . 26635 1 250 . 1 1 137 137 TYR N N 15 119.78 0.01 . 1 . . . . . 137 TYR N . 26635 1 251 . 1 1 138 138 GLY H H 1 8.237 0.01 . 1 . . . . . 138 GLY H . 26635 1 252 . 1 1 138 138 GLY N N 15 110.91 0.01 . 1 . . . . . 138 GLY N . 26635 1 253 . 1 1 139 139 ILE H H 1 7.985 0.01 . 1 . . . . . 139 ILE H . 26635 1 254 . 1 1 139 139 ILE N N 15 112.88 0.01 . 1 . . . . . 139 ILE N . 26635 1 255 . 1 1 141 141 PHE H H 1 8.180 0.01 . 1 . . . . . 141 PHE H . 26635 1 256 . 1 1 141 141 PHE N N 15 119.91 0.01 . 1 . . . . . 141 PHE N . 26635 1 257 . 1 1 142 142 ILE H H 1 8.346 0.01 . 1 . . . . . 142 ILE H . 26635 1 258 . 1 1 142 142 ILE N N 15 129.97 0.01 . 1 . . . . . 142 ILE N . 26635 1 259 . 1 1 143 143 GLU H H 1 7.747 0.01 . 1 . . . . . 143 GLU H . 26635 1 260 . 1 1 143 143 GLU N N 15 125.10 0.01 . 1 . . . . . 143 GLU N . 26635 1 261 . 1 1 144 144 THR H H 1 8.719 0.01 . 1 . . . . . 144 THR H . 26635 1 262 . 1 1 144 144 THR N N 15 112.06 0.01 . 1 . . . . . 144 THR N . 26635 1 263 . 1 1 145 145 SER H H 1 8.740 0.01 . 1 . . . . . 145 SER H . 26635 1 264 . 1 1 145 145 SER N N 15 112.45 0.01 . 1 . . . . . 145 SER N . 26635 1 265 . 1 1 146 146 ALA H H 1 9.096 0.01 . 1 . . . . . 146 ALA H . 26635 1 266 . 1 1 146 146 ALA N N 15 132.40 0.01 . 1 . . . . . 146 ALA N . 26635 1 267 . 1 1 147 147 LYS H H 1 6.945 0.01 . 1 . . . . . 147 LYS H . 26635 1 268 . 1 1 147 147 LYS N N 15 116.17 0.01 . 1 . . . . . 147 LYS N . 26635 1 269 . 1 1 148 148 THR H H 1 7.643 0.01 . 1 . . . . . 148 THR H . 26635 1 270 . 1 1 148 148 THR N N 15 106.41 0.01 . 1 . . . . . 148 THR N . 26635 1 271 . 1 1 149 149 ARG H H 1 7.761 0.01 . 1 . . . . . 149 ARG H . 26635 1 272 . 1 1 149 149 ARG N N 15 119.46 0.01 . 1 . . . . . 149 ARG N . 26635 1 273 . 1 1 150 150 GLN H H 1 7.750 0.01 . 1 . . . . . 150 GLN H . 26635 1 274 . 1 1 150 150 GLN N N 15 128.28 0.01 . 1 . . . . . 150 GLN N . 26635 1 275 . 1 1 151 151 GLY H H 1 8.878 0.01 . 1 . . . . . 151 GLY H . 26635 1 276 . 1 1 151 151 GLY N N 15 115.30 0.01 . 1 . . . . . 151 GLY N . 26635 1 277 . 1 1 152 152 VAL H H 1 6.968 0.01 . 1 . . . . . 152 VAL H . 26635 1 278 . 1 1 152 152 VAL N N 15 120.57 0.01 . 1 . . . . . 152 VAL N . 26635 1 279 . 1 1 153 153 ASP H H 1 7.882 0.01 . 1 . . . . . 153 ASP H . 26635 1 280 . 1 1 153 153 ASP N N 15 117.14 0.01 . 1 . . . . . 153 ASP N . 26635 1 281 . 1 1 154 154 ASP H H 1 7.997 0.01 . 1 . . . . . 154 ASP H . 26635 1 282 . 1 1 154 154 ASP N N 15 116.30 0.01 . 1 . . . . . 154 ASP N . 26635 1 283 . 1 1 155 155 ALA H H 1 8.573 0.01 . 1 . . . . . 155 ALA H . 26635 1 284 . 1 1 155 155 ALA N N 15 124.85 0.01 . 1 . . . . . 155 ALA N . 26635 1 285 . 1 1 156 156 PHE H H 1 7.175 0.01 . 1 . . . . . 156 PHE H . 26635 1 286 . 1 1 156 156 PHE N N 15 113.03 0.01 . 1 . . . . . 156 PHE N . 26635 1 287 . 1 1 157 157 TYR H H 1 9.557 0.01 . 1 . . . . . 157 TYR H . 26635 1 288 . 1 1 157 157 TYR N N 15 119.72 0.01 . 1 . . . . . 157 TYR N . 26635 1 289 . 1 1 158 158 THR H H 1 8.557 0.01 . 1 . . . . . 158 THR H . 26635 1 290 . 1 1 158 158 THR N N 15 116.50 0.01 . 1 . . . . . 158 THR N . 26635 1 291 . 1 1 159 159 LEU H H 1 7.243 0.01 . 1 . . . . . 159 LEU H . 26635 1 292 . 1 1 159 159 LEU N N 15 121.95 0.01 . 1 . . . . . 159 LEU N . 26635 1 293 . 1 1 160 160 VAL H H 1 7.592 0.01 . 1 . . . . . 160 VAL H . 26635 1 294 . 1 1 160 160 VAL N N 15 118.76 0.01 . 1 . . . . . 160 VAL N . 26635 1 295 . 1 1 161 161 ARG H H 1 8.203 0.01 . 1 . . . . . 161 ARG H . 26635 1 296 . 1 1 161 161 ARG N N 15 118.78 0.01 . 1 . . . . . 161 ARG N . 26635 1 297 . 1 1 162 162 GLU H H 1 7.979 0.01 . 1 . . . . . 162 GLU H . 26635 1 298 . 1 1 162 162 GLU N N 15 118.04 0.01 . 1 . . . . . 162 GLU N . 26635 1 299 . 1 1 163 163 ILE H H 1 8.375 0.01 . 1 . . . . . 163 ILE H . 26635 1 300 . 1 1 163 163 ILE N N 15 123.67 0.01 . 1 . . . . . 163 ILE N . 26635 1 301 . 1 1 164 164 ARG H H 1 8.134 0.01 . 1 . . . . . 164 ARG H . 26635 1 302 . 1 1 164 164 ARG N N 15 118.43 0.01 . 1 . . . . . 164 ARG N . 26635 1 303 . 1 1 166 166 HIS H H 1 7.985 0.01 . 1 . . . . . 166 HIS H . 26635 1 304 . 1 1 166 166 HIS N N 15 125.47 0.01 . 1 . . . . . 166 HIS N . 26635 1 305 . 1 1 167 167 LYS H H 1 8.080 0.01 . 1 . . . . . 167 LYS H . 26635 1 306 . 1 1 167 167 LYS N N 15 122.28 0.01 . 1 . . . . . 167 LYS N . 26635 1 307 . 1 1 169 169 LYS H H 1 8.184 0.01 . 1 . . . . . 169 LYS H . 26635 1 308 . 1 1 169 169 LYS N N 15 115.39 0.01 . 1 . . . . . 169 LYS N . 26635 1 309 . 1 1 170 170 MET H H 1 8.520 0.01 . 1 . . . . . 170 MET H . 26635 1 310 . 1 1 170 170 MET N N 15 122.28 0.01 . 1 . . . . . 170 MET N . 26635 1 311 . 1 1 171 171 SER H H 1 8.383 0.01 . 1 . . . . . 171 SER H . 26635 1 312 . 1 1 171 171 SER N N 15 117.82 0.01 . 1 . . . . . 171 SER N . 26635 1 313 . 1 1 173 173 ASP H H 1 8.350 0.01 . 1 . . . . . 173 ASP H . 26635 1 314 . 1 1 173 173 ASP N N 15 121.68 0.01 . 1 . . . . . 173 ASP N . 26635 1 315 . 1 1 174 174 GLY H H 1 8.174 0.01 . 1 . . . . . 174 GLY H . 26635 1 316 . 1 1 174 174 GLY N N 15 108.81 0.01 . 1 . . . . . 174 GLY N . 26635 1 317 . 1 1 175 175 LYS H H 1 8.045 0.01 . 1 . . . . . 175 LYS H . 26635 1 318 . 1 1 175 175 LYS N N 15 120.36 0.01 . 1 . . . . . 175 LYS N . 26635 1 319 . 1 1 176 176 LYS H H 1 8.314 0.01 . 1 . . . . . 176 LYS H . 26635 1 320 . 1 1 176 176 LYS N N 15 123.29 0.01 . 1 . . . . . 176 LYS N . 26635 1 321 . 1 1 177 177 LYS H H 1 8.230 0.01 . 1 . . . . . 177 LYS H . 26635 1 322 . 1 1 177 177 LYS N N 15 122.65 0.01 . 1 . . . . . 177 LYS N . 26635 1 323 . 1 1 178 178 LYS H H 1 8.375 0.01 . 1 . . . . . 178 LYS H . 26635 1 324 . 1 1 178 178 LYS N N 15 123.68 0.01 . 1 . . . . . 178 LYS N . 26635 1 325 . 1 1 179 179 LYS H H 1 8.000 0.01 . 1 . . . . . 179 LYS H . 26635 1 326 . 1 1 179 179 LYS N N 15 123.28 0.01 . 1 . . . . . 179 LYS N . 26635 1 327 . 1 1 180 180 LYS H H 1 8.450 0.01 . 1 . . . . . 180 LYS H . 26635 1 328 . 1 1 180 180 LYS N N 15 123.74 0.01 . 1 . . . . . 180 LYS N . 26635 1 329 . 1 1 181 181 SER H H 1 8.422 0.01 . 1 . . . . . 181 SER H . 26635 1 330 . 1 1 181 181 SER N N 15 118.26 0.01 . 1 . . . . . 181 SER N . 26635 1 331 . 1 1 182 182 LYS H H 1 8.398 0.01 . 1 . . . . . 182 LYS H . 26635 1 332 . 1 1 182 182 LYS N N 15 124.10 0.01 . 1 . . . . . 182 LYS N . 26635 1 333 . 1 1 183 183 THR H H 1 8.159 0.01 . 1 . . . . . 183 THR H . 26635 1 334 . 1 1 183 183 THR N N 15 116.07 0.01 . 1 . . . . . 183 THR N . 26635 1 335 . 1 1 185 185 CYS H H 1 8.255 0.01 . 1 . . . . . 185 CYS H . 26635 1 336 . 1 1 185 185 CYS N N 15 120.16 0.01 . 1 . . . . . 185 CYS N . 26635 1 337 . 1 1 186 186 VAL H H 1 8.246 0.01 . 1 . . . . . 186 VAL H . 26635 1 338 . 1 1 186 186 VAL N N 15 123.62 0.01 . 1 . . . . . 186 VAL N . 26635 1 339 . 1 1 187 187 ILE H H 1 8.266 0.01 . 1 . . . . . 187 ILE H . 26635 1 340 . 1 1 187 187 ILE N N 15 125.83 0.01 . 1 . . . . . 187 ILE N . 26635 1 341 . 1 1 188 188 MET H H 1 8.009 0.01 . 1 . . . . . 188 MET H . 26635 1 342 . 1 1 188 188 MET N N 15 128.05 0.01 . 1 . . . . . 188 MET N . 26635 1 stop_ save_