data_27905 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27905 _Entry.Title ; Clr4 1-191 NCP ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-05-14 _Entry.Accession_date 2019-05-14 _Entry.Last_release_date 2019-05-14 _Entry.Original_release_date 2019-05-14 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _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 'Clr4 1-191 chemical shifts' _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 Elias Akoury . . . . 27905 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 27905 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27905 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 173 27905 '1H chemical shifts' 173 27905 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 . . 2019-12-10 2019-05-14 update BMRB 'update entry citation' 27905 1 . . 2019-07-09 2019-05-14 original author 'original release' 27905 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27903 'Clr4 1-191 free' 27905 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 27905 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 31165882 _Citation.Full_citation . _Citation.Title ; Disordered region of H3K9 methyltransferase Clr4 binds the nucleosome and contributes to its activity ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full 'Nucleic acids research' _Citation.Journal_volume 47 _Citation.Journal_issue 13 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1362-4962 _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 6726 _Citation.Page_last 6736 _Citation.Year 2019 _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 Elias Akoury E. . . . 27905 1 2 Guoli Ma G. . . . 27905 1 3 Segolene Demolin S. . . . 27905 1 4 Cornelia Bronner C. . . . 27905 1 5 Manuel Zocco M. . . . 27905 1 6 Alexandre Cirilo A. . . . 27905 1 7 Nives Ivic N. . . . 27905 1 8 Mario Halic M. . . . 27905 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27905 _Assembly.ID 1 _Assembly.Name clr4191 _Assembly.BMRB_code . _Assembly.Number_of_components . _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 crr 1 $protein A . yes native no no . . . 27905 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_protein _Entity.Sf_category entity _Entity.Sf_framecode protein _Entity.Entry_ID 27905 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name protein _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 ; MSPKQEEYEVERIVDEKLDR NGAVKLYRIRWLNYSSRSDT WEPPENLSGCSAVLAEWKRR KRRLKGSNSDSDSPHHASNP HPNSRQKHQHQTSKSVPRSQ RFSRELNVKKENKKVFSSQT TKRQSRKQSTALTTNDTSII LDDSLHTNSKKLGKTRNEVK EESQKRELVSNSIKEATSPK TSSILTKXRN ; _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 190 _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_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 . 27905 1 2 . SER . 27905 1 3 . PRO . 27905 1 4 . LYS . 27905 1 5 . GLN . 27905 1 6 . GLU . 27905 1 7 . GLU . 27905 1 8 . TYR . 27905 1 9 . GLU . 27905 1 10 . VAL . 27905 1 11 . GLU . 27905 1 12 . ARG . 27905 1 13 . ILE . 27905 1 14 . VAL . 27905 1 15 . ASP . 27905 1 16 . GLU . 27905 1 17 . LYS . 27905 1 18 . LEU . 27905 1 19 . ASP . 27905 1 20 . ARG . 27905 1 21 . ASN . 27905 1 22 . GLY . 27905 1 23 . ALA . 27905 1 24 . VAL . 27905 1 25 . LYS . 27905 1 26 . LEU . 27905 1 27 . TYR . 27905 1 28 . ARG . 27905 1 29 . ILE . 27905 1 30 . ARG . 27905 1 31 . TRP . 27905 1 32 . LEU . 27905 1 33 . ASN . 27905 1 34 . TYR . 27905 1 35 . SER . 27905 1 36 . SER . 27905 1 37 . ARG . 27905 1 38 . SER . 27905 1 39 . ASP . 27905 1 40 . THR . 27905 1 41 . TRP . 27905 1 42 . GLU . 27905 1 43 . PRO . 27905 1 44 . PRO . 27905 1 45 . GLU . 27905 1 46 . ASN . 27905 1 47 . LEU . 27905 1 48 . SER . 27905 1 49 . GLY . 27905 1 50 . CYS . 27905 1 51 . SER . 27905 1 52 . ALA . 27905 1 53 . VAL . 27905 1 54 . LEU . 27905 1 55 . ALA . 27905 1 56 . GLU . 27905 1 57 . TRP . 27905 1 58 . LYS . 27905 1 59 . ARG . 27905 1 60 . ARG . 27905 1 61 . LYS . 27905 1 62 . ARG . 27905 1 63 . ARG . 27905 1 64 . LEU . 27905 1 65 . LYS . 27905 1 66 . GLY . 27905 1 67 . SER . 27905 1 68 . ASN . 27905 1 69 . SER . 27905 1 70 . ASP . 27905 1 71 . SER . 27905 1 72 . ASP . 27905 1 73 . SER . 27905 1 74 . PRO . 27905 1 75 . HIS . 27905 1 76 . HIS . 27905 1 77 . ALA . 27905 1 78 . SER . 27905 1 79 . ASN . 27905 1 80 . PRO . 27905 1 81 . HIS . 27905 1 82 . PRO . 27905 1 83 . ASN . 27905 1 84 . SER . 27905 1 85 . ARG . 27905 1 86 . GLN . 27905 1 87 . LYS . 27905 1 88 . HIS . 27905 1 89 . GLN . 27905 1 90 . HIS . 27905 1 91 . GLN . 27905 1 92 . THR . 27905 1 93 . SER . 27905 1 94 . LYS . 27905 1 95 . SER . 27905 1 96 . VAL . 27905 1 97 . PRO . 27905 1 98 . ARG . 27905 1 99 . SER . 27905 1 100 . GLN . 27905 1 101 . ARG . 27905 1 102 . PHE . 27905 1 103 . SER . 27905 1 104 . ARG . 27905 1 105 . GLU . 27905 1 106 . LEU . 27905 1 107 . ASN . 27905 1 108 . VAL . 27905 1 109 . LYS . 27905 1 110 . LYS . 27905 1 111 . GLU . 27905 1 112 . ASN . 27905 1 113 . LYS . 27905 1 114 . LYS . 27905 1 115 . VAL . 27905 1 116 . PHE . 27905 1 117 . SER . 27905 1 118 . SER . 27905 1 119 . GLN . 27905 1 120 . THR . 27905 1 121 . THR . 27905 1 122 . LYS . 27905 1 123 . ARG . 27905 1 124 . GLN . 27905 1 125 . SER . 27905 1 126 . ARG . 27905 1 127 . LYS . 27905 1 128 . GLN . 27905 1 129 . SER . 27905 1 130 . THR . 27905 1 131 . ALA . 27905 1 132 . LEU . 27905 1 133 . THR . 27905 1 134 . THR . 27905 1 135 . ASN . 27905 1 136 . ASP . 27905 1 137 . THR . 27905 1 138 . SER . 27905 1 139 . ILE . 27905 1 140 . ILE . 27905 1 141 . LEU . 27905 1 142 . ASP . 27905 1 143 . ASP . 27905 1 144 . SER . 27905 1 145 . LEU . 27905 1 146 . HIS . 27905 1 147 . THR . 27905 1 148 . ASN . 27905 1 149 . SER . 27905 1 150 . LYS . 27905 1 151 . LYS . 27905 1 152 . LEU . 27905 1 153 . GLY . 27905 1 154 . LYS . 27905 1 155 . THR . 27905 1 156 . ARG . 27905 1 157 . ASN . 27905 1 158 . GLU . 27905 1 159 . VAL . 27905 1 160 . LYS . 27905 1 161 . GLU . 27905 1 162 . GLU . 27905 1 163 . SER . 27905 1 164 . GLN . 27905 1 165 . LYS . 27905 1 166 . ARG . 27905 1 167 . GLU . 27905 1 168 . LEU . 27905 1 169 . VAL . 27905 1 170 . SER . 27905 1 171 . ASN . 27905 1 172 . SER . 27905 1 173 . ILE . 27905 1 174 . LYS . 27905 1 175 . GLU . 27905 1 176 . ALA . 27905 1 177 . THR . 27905 1 178 . SER . 27905 1 179 . PRO . 27905 1 180 . LYS . 27905 1 181 . THR . 27905 1 182 . SER . 27905 1 183 . SER . 27905 1 184 . ILE . 27905 1 185 . LEU . 27905 1 186 . THR . 27905 1 187 . LYS . 27905 1 188 . X . 27905 1 189 . ARG . 27905 1 190 . ASN . 27905 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 27905 1 . SER 2 2 27905 1 . PRO 3 3 27905 1 . LYS 4 4 27905 1 . GLN 5 5 27905 1 . GLU 6 6 27905 1 . GLU 7 7 27905 1 . TYR 8 8 27905 1 . GLU 9 9 27905 1 . VAL 10 10 27905 1 . GLU 11 11 27905 1 . ARG 12 12 27905 1 . ILE 13 13 27905 1 . VAL 14 14 27905 1 . ASP 15 15 27905 1 . GLU 16 16 27905 1 . LYS 17 17 27905 1 . LEU 18 18 27905 1 . ASP 19 19 27905 1 . ARG 20 20 27905 1 . ASN 21 21 27905 1 . GLY 22 22 27905 1 . ALA 23 23 27905 1 . VAL 24 24 27905 1 . LYS 25 25 27905 1 . LEU 26 26 27905 1 . TYR 27 27 27905 1 . ARG 28 28 27905 1 . ILE 29 29 27905 1 . ARG 30 30 27905 1 . TRP 31 31 27905 1 . LEU 32 32 27905 1 . ASN 33 33 27905 1 . TYR 34 34 27905 1 . SER 35 35 27905 1 . SER 36 36 27905 1 . ARG 37 37 27905 1 . SER 38 38 27905 1 . ASP 39 39 27905 1 . THR 40 40 27905 1 . TRP 41 41 27905 1 . GLU 42 42 27905 1 . PRO 43 43 27905 1 . PRO 44 44 27905 1 . GLU 45 45 27905 1 . ASN 46 46 27905 1 . LEU 47 47 27905 1 . SER 48 48 27905 1 . GLY 49 49 27905 1 . CYS 50 50 27905 1 . SER 51 51 27905 1 . ALA 52 52 27905 1 . VAL 53 53 27905 1 . LEU 54 54 27905 1 . ALA 55 55 27905 1 . GLU 56 56 27905 1 . TRP 57 57 27905 1 . LYS 58 58 27905 1 . ARG 59 59 27905 1 . ARG 60 60 27905 1 . LYS 61 61 27905 1 . ARG 62 62 27905 1 . ARG 63 63 27905 1 . LEU 64 64 27905 1 . LYS 65 65 27905 1 . GLY 66 66 27905 1 . SER 67 67 27905 1 . ASN 68 68 27905 1 . SER 69 69 27905 1 . ASP 70 70 27905 1 . SER 71 71 27905 1 . ASP 72 72 27905 1 . SER 73 73 27905 1 . PRO 74 74 27905 1 . HIS 75 75 27905 1 . HIS 76 76 27905 1 . ALA 77 77 27905 1 . SER 78 78 27905 1 . ASN 79 79 27905 1 . PRO 80 80 27905 1 . HIS 81 81 27905 1 . PRO 82 82 27905 1 . ASN 83 83 27905 1 . SER 84 84 27905 1 . ARG 85 85 27905 1 . GLN 86 86 27905 1 . LYS 87 87 27905 1 . HIS 88 88 27905 1 . GLN 89 89 27905 1 . HIS 90 90 27905 1 . GLN 91 91 27905 1 . THR 92 92 27905 1 . SER 93 93 27905 1 . LYS 94 94 27905 1 . SER 95 95 27905 1 . VAL 96 96 27905 1 . PRO 97 97 27905 1 . ARG 98 98 27905 1 . SER 99 99 27905 1 . GLN 100 100 27905 1 . ARG 101 101 27905 1 . PHE 102 102 27905 1 . SER 103 103 27905 1 . ARG 104 104 27905 1 . GLU 105 105 27905 1 . LEU 106 106 27905 1 . ASN 107 107 27905 1 . VAL 108 108 27905 1 . LYS 109 109 27905 1 . LYS 110 110 27905 1 . GLU 111 111 27905 1 . ASN 112 112 27905 1 . LYS 113 113 27905 1 . LYS 114 114 27905 1 . VAL 115 115 27905 1 . PHE 116 116 27905 1 . SER 117 117 27905 1 . SER 118 118 27905 1 . GLN 119 119 27905 1 . THR 120 120 27905 1 . THR 121 121 27905 1 . LYS 122 122 27905 1 . ARG 123 123 27905 1 . GLN 124 124 27905 1 . SER 125 125 27905 1 . ARG 126 126 27905 1 . LYS 127 127 27905 1 . GLN 128 128 27905 1 . SER 129 129 27905 1 . THR 130 130 27905 1 . ALA 131 131 27905 1 . LEU 132 132 27905 1 . THR 133 133 27905 1 . THR 134 134 27905 1 . ASN 135 135 27905 1 . ASP 136 136 27905 1 . THR 137 137 27905 1 . SER 138 138 27905 1 . ILE 139 139 27905 1 . ILE 140 140 27905 1 . LEU 141 141 27905 1 . ASP 142 142 27905 1 . ASP 143 143 27905 1 . SER 144 144 27905 1 . LEU 145 145 27905 1 . HIS 146 146 27905 1 . THR 147 147 27905 1 . ASN 148 148 27905 1 . SER 149 149 27905 1 . LYS 150 150 27905 1 . LYS 151 151 27905 1 . LEU 152 152 27905 1 . GLY 153 153 27905 1 . LYS 154 154 27905 1 . THR 155 155 27905 1 . ARG 156 156 27905 1 . ASN 157 157 27905 1 . GLU 158 158 27905 1 . VAL 159 159 27905 1 . LYS 160 160 27905 1 . GLU 161 161 27905 1 . GLU 162 162 27905 1 . SER 163 163 27905 1 . GLN 164 164 27905 1 . LYS 165 165 27905 1 . ARG 166 166 27905 1 . GLU 167 167 27905 1 . LEU 168 168 27905 1 . VAL 169 169 27905 1 . SER 170 170 27905 1 . ASN 171 171 27905 1 . SER 172 172 27905 1 . ILE 173 173 27905 1 . LYS 174 174 27905 1 . GLU 175 175 27905 1 . ALA 176 176 27905 1 . THR 177 177 27905 1 . SER 178 178 27905 1 . PRO 179 179 27905 1 . LYS 180 180 27905 1 . THR 181 181 27905 1 . SER 182 182 27905 1 . SER 183 183 27905 1 . ILE 184 184 27905 1 . LEU 185 185 27905 1 . THR 186 186 27905 1 . LYS 187 187 27905 1 . X 188 188 27905 1 . ARG 189 189 27905 1 . ASN 190 190 27905 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 27905 _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 $protein . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 27905 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 27905 _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 $protein . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . bl21 . . . 27905 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27905 _Sample.ID 1 _Sample.Name . _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 protein '[U-100% 13C; U-100% 15N]' . . 1 $protein . . 500 . . uM . . . . 27905 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 27905 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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 6.8 . pH 27905 1 stop_ save_ ############################ # Computer software used # ############################ save_CCPN _Software.Sf_category software _Software.Sf_framecode CCPN _Software.Entry_ID 27905 _Software.ID 1 _Software.Type . _Software.Name CCPN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 27905 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 27905 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 27905 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _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 27905 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 . . . 27905 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 27905 _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 . . . . . . . . . . . . . . . . 27905 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 27905 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 internal direct 1.0 . . . . . 27905 1 N 15 DSS nitrogen . . . . ppm 0 internal direct 1.0 . . . . . 27905 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 27905 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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' . . . 27905 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CCPN . . 27905 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 8.37072 . . . . . . . . 2 SER H . 27905 1 2 . 1 1 2 2 SER N N 15 119.55836 . . . . . . . . 2 SER N . 27905 1 3 . 1 1 4 4 LYS H H 1 8.34217 . . . . . . . . 4 LYS H . 27905 1 4 . 1 1 4 4 LYS N N 15 120.97348 . . . . . . . . 4 LYS N . 27905 1 5 . 1 1 5 5 GLN H H 1 8.36756 . . . . . . . . 5 GLN H . 27905 1 6 . 1 1 5 5 GLN N N 15 122.12881 . . . . . . . . 5 GLN N . 27905 1 7 . 1 1 6 6 GLU H H 1 8.48641 . . . . . . . . 6 GLU H . 27905 1 8 . 1 1 6 6 GLU N N 15 121.72022 . . . . . . . . 6 GLU N . 27905 1 9 . 1 1 7 7 GLU H H 1 8.30438 . . . . . . . . 7 GLU H . 27905 1 10 . 1 1 7 7 GLU N N 15 121.14055 . . . . . . . . 7 GLU N . 27905 1 11 . 1 1 8 8 TYR H H 1 8.16862 . . . . . . . . 8 TYR H . 27905 1 12 . 1 1 8 8 TYR N N 15 121.49236 . . . . . . . . 8 TYR N . 27905 1 13 . 1 1 9 9 GLU H H 1 8.27276 . . . . . . . . 9 GLU H . 27905 1 14 . 1 1 9 9 GLU N N 15 121.68912 . . . . . . . . 9 GLU N . 27905 1 15 . 1 1 10 10 VAL H H 1 8.32418 . . . . . . . . 10 VAL H . 27905 1 16 . 1 1 10 10 VAL N N 15 115.8471 . . . . . . . . 10 VAL N . 27905 1 17 . 1 1 11 11 GLU H H 1 8.21686 . . . . . . . . 11 GLU H . 27905 1 18 . 1 1 11 11 GLU N N 15 120.16151 . . . . . . . . 11 GLU N . 27905 1 19 . 1 1 12 12 ARG H H 1 8.49136 . . . . . . . . 12 ARG H . 27905 1 20 . 1 1 12 12 ARG N N 15 117.73523 . . . . . . . . 12 ARG N . 27905 1 21 . 1 1 13 13 ILE H H 1 8.14566 . . . . . . . . 13 ILE H . 27905 1 22 . 1 1 13 13 ILE N N 15 122.94639 . . . . . . . . 13 ILE N . 27905 1 23 . 1 1 14 14 VAL H H 1 8.37288 . . . . . . . . 14 VAL H . 27905 1 24 . 1 1 14 14 VAL N N 15 116.04643 . . . . . . . . 14 VAL N . 27905 1 25 . 1 1 15 15 ASP H H 1 7.16785 . . . . . . . . 15 ASP H . 27905 1 26 . 1 1 15 15 ASP N N 15 117.70345 . . . . . . . . 15 ASP N . 27905 1 27 . 1 1 16 16 GLU H H 1 9.69398 . . . . . . . . 16 GLU H . 27905 1 28 . 1 1 16 16 GLU N N 15 117.30896 . . . . . . . . 16 GLU N . 27905 1 29 . 1 1 17 17 LYS H H 1 9.06641 . . . . . . . . 17 LYS H . 27905 1 30 . 1 1 17 17 LYS N N 15 121.893 . . . . . . . . 17 LYS N . 27905 1 31 . 1 1 18 18 LEU H H 1 9.05421 . . . . . . . . 18 LEU H . 27905 1 32 . 1 1 18 18 LEU N N 15 125.52495 . . . . . . . . 18 LEU N . 27905 1 33 . 1 1 19 19 ASP H H 1 9.11121 . . . . . . . . 19 ASP H . 27905 1 34 . 1 1 19 19 ASP N N 15 121.28978 . . . . . . . . 19 ASP N . 27905 1 35 . 1 1 20 20 ARG H H 1 8.53163 . . . . . . . . 20 ARG H . 27905 1 36 . 1 1 20 20 ARG N N 15 118.04896 . . . . . . . . 20 ARG N . 27905 1 37 . 1 1 21 21 ASN H H 1 8.31654 . . . . . . . . 21 ASN H . 27905 1 38 . 1 1 21 21 ASN N N 15 116.73728 . . . . . . . . 21 ASN N . 27905 1 39 . 1 1 22 22 GLY H H 1 8.16105 . . . . . . . . 22 GLY H . 27905 1 40 . 1 1 22 22 GLY N N 15 109.02264 . . . . . . . . 22 GLY N . 27905 1 41 . 1 1 23 23 ALA H H 1 8.24516 . . . . . . . . 23 ALA H . 27905 1 42 . 1 1 23 23 ALA N N 15 123.34837 . . . . . . . . 23 ALA N . 27905 1 43 . 1 1 24 24 VAL H H 1 8.50491 . . . . . . . . 24 VAL H . 27905 1 44 . 1 1 24 24 VAL N N 15 121.14421 . . . . . . . . 24 VAL N . 27905 1 45 . 1 1 25 25 LYS H H 1 9.28612 . . . . . . . . 25 LYS H . 27905 1 46 . 1 1 25 25 LYS N N 15 127.22082 . . . . . . . . 25 LYS N . 27905 1 47 . 1 1 26 26 LEU H H 1 7.38207 . . . . . . . . 26 LEU H . 27905 1 48 . 1 1 26 26 LEU N N 15 116.03709 . . . . . . . . 26 LEU N . 27905 1 49 . 1 1 27 27 TYR H H 1 9.442 . . . . . . . . 27 TYR H . 27905 1 50 . 1 1 27 27 TYR N N 15 119.00438 . . . . . . . . 27 TYR N . 27905 1 51 . 1 1 28 28 ARG H H 1 8.0097 . . . . . . . . 28 ARG H . 27905 1 52 . 1 1 28 28 ARG N N 15 124.559 . . . . . . . . 28 ARG N . 27905 1 53 . 1 1 29 29 ILE H H 1 8.41515 . . . . . . . . 29 ILE H . 27905 1 54 . 1 1 29 29 ILE N N 15 126.37588 . . . . . . . . 29 ILE N . 27905 1 55 . 1 1 30 30 ARG H H 1 8.08905 . . . . . . . . 30 ARG H . 27905 1 56 . 1 1 30 30 ARG N N 15 124.02158 . . . . . . . . 30 ARG N . 27905 1 57 . 1 1 31 31 TRP H H 1 8.30887 . . . . . . . . 31 TRP H . 27905 1 58 . 1 1 31 31 TRP N N 15 122.39039 . . . . . . . . 31 TRP N . 27905 1 59 . 1 1 32 32 LEU H H 1 8.29194 . . . . . . . . 32 LEU H . 27905 1 60 . 1 1 32 32 LEU N N 15 125.0606 . . . . . . . . 32 LEU N . 27905 1 61 . 1 1 33 33 ASN H H 1 8.78355 . . . . . . . . 33 ASN H . 27905 1 62 . 1 1 33 33 ASN N N 15 116.75324 . . . . . . . . 33 ASN N . 27905 1 63 . 1 1 34 34 TYR H H 1 8.3165 . . . . . . . . 34 TYR H . 27905 1 64 . 1 1 34 34 TYR N N 15 118.60231 . . . . . . . . 34 TYR N . 27905 1 65 . 1 1 35 35 SER H H 1 8.15377 . . . . . . . . 35 SER H . 27905 1 66 . 1 1 35 35 SER N N 15 115.712 . . . . . . . . 35 SER N . 27905 1 67 . 1 1 36 36 SER H H 1 8.21223 . . . . . . . . 36 SER H . 27905 1 68 . 1 1 36 36 SER N N 15 116.81635 . . . . . . . . 36 SER N . 27905 1 69 . 1 1 37 37 ARG H H 1 7.53513 . . . . . . . . 37 ARG H . 27905 1 70 . 1 1 37 37 ARG N N 15 117.07199 . . . . . . . . 37 ARG N . 27905 1 71 . 1 1 38 38 SER H H 1 8.25544 . . . . . . . . 38 SER H . 27905 1 72 . 1 1 38 38 SER N N 15 115.712 . . . . . . . . 38 SER N . 27905 1 73 . 1 1 39 39 ASP H H 1 8.39467 . . . . . . . . 39 ASP H . 27905 1 74 . 1 1 39 39 ASP N N 15 122.24059 . . . . . . . . 39 ASP N . 27905 1 75 . 1 1 40 40 THR H H 1 8.25153 . . . . . . . . 40 THR H . 27905 1 76 . 1 1 40 40 THR N N 15 110.88851 . . . . . . . . 40 THR N . 27905 1 77 . 1 1 41 41 TRP H H 1 8.7632 . . . . . . . . 41 TRP H . 27905 1 78 . 1 1 41 41 TRP N N 15 120.88148 . . . . . . . . 41 TRP N . 27905 1 79 . 1 1 42 42 GLU H H 1 9.66206 . . . . . . . . 42 GLU H . 27905 1 80 . 1 1 42 42 GLU N N 15 122.94627 . . . . . . . . 42 GLU N . 27905 1 81 . 1 1 45 45 GLU H H 1 9.83628 . . . . . . . . 45 GLU H . 27905 1 82 . 1 1 45 45 GLU N N 15 118.49605 . . . . . . . . 45 GLU N . 27905 1 83 . 1 1 46 46 ASN H H 1 8.03367 . . . . . . . . 46 ASN H . 27905 1 84 . 1 1 46 46 ASN N N 15 119.69384 . . . . . . . . 46 ASN N . 27905 1 85 . 1 1 47 47 LEU H H 1 7.84111 . . . . . . . . 47 LEU H . 27905 1 86 . 1 1 47 47 LEU N N 15 121.5235 . . . . . . . . 47 LEU N . 27905 1 87 . 1 1 48 48 SER H H 1 7.59049 . . . . . . . . 48 SER H . 27905 1 88 . 1 1 48 48 SER N N 15 116.16858 . . . . . . . . 48 SER N . 27905 1 89 . 1 1 49 49 GLY H H 1 8.95353 . . . . . . . . 49 GLY H . 27905 1 90 . 1 1 49 49 GLY N N 15 111.2183 . . . . . . . . 49 GLY N . 27905 1 91 . 1 1 50 50 CYS H H 1 8.08591 . . . . . . . . 50 CYS H . 27905 1 92 . 1 1 50 50 CYS N N 15 120.39162 . . . . . . . . 50 CYS N . 27905 1 93 . 1 1 51 51 SER H H 1 8.05459 . . . . . . . . 51 SER H . 27905 1 94 . 1 1 51 51 SER N N 15 116.83005 . . . . . . . . 51 SER N . 27905 1 95 . 1 1 52 52 ALA H H 1 8.824 . . . . . . . . 52 ALA H . 27905 1 96 . 1 1 52 52 ALA N N 15 125.42761 . . . . . . . . 52 ALA N . 27905 1 97 . 1 1 53 53 VAL H H 1 7.6421 . . . . . . . . 53 VAL H . 27905 1 98 . 1 1 53 53 VAL N N 15 120.00166 . . . . . . . . 53 VAL N . 27905 1 99 . 1 1 54 54 LEU H H 1 7.98425 . . . . . . . . 54 LEU H . 27905 1 100 . 1 1 54 54 LEU N N 15 122.53035 . . . . . . . . 54 LEU N . 27905 1 101 . 1 1 55 55 ALA H H 1 8.19758 . . . . . . . . 55 ALA H . 27905 1 102 . 1 1 55 55 ALA N N 15 121.85098 . . . . . . . . 55 ALA N . 27905 1 103 . 1 1 56 56 GLU H H 1 8.07147 . . . . . . . . 56 GLU H . 27905 1 104 . 1 1 56 56 GLU N N 15 119.34292 . . . . . . . . 56 GLU N . 27905 1 105 . 1 1 57 57 TRP H H 1 7.69003 . . . . . . . . 57 TRP H . 27905 1 106 . 1 1 57 57 TRP N N 15 120.97728 . . . . . . . . 57 TRP N . 27905 1 107 . 1 1 58 58 LYS H H 1 8.11312 . . . . . . . . 58 LYS H . 27905 1 108 . 1 1 58 58 LYS N N 15 117.4478 . . . . . . . . 58 LYS N . 27905 1 109 . 1 1 59 59 ARG H H 1 7.73548 . . . . . . . . 59 ARG H . 27905 1 110 . 1 1 59 59 ARG N N 15 117.9861 . . . . . . . . 59 ARG N . 27905 1 111 . 1 1 60 60 ARG H H 1 8.03026 . . . . . . . . 60 ARG H . 27905 1 112 . 1 1 60 60 ARG N N 15 121.5447 . . . . . . . . 60 ARG N . 27905 1 113 . 1 1 61 61 LYS H H 1 8.08811 . . . . . . . . 61 LYS H . 27905 1 114 . 1 1 61 61 LYS N N 15 118.99519 . . . . . . . . 61 LYS N . 27905 1 115 . 1 1 62 62 ARG H H 1 7.5953 . . . . . . . . 62 ARG H . 27905 1 116 . 1 1 62 62 ARG N N 15 119.21074 . . . . . . . . 62 ARG N . 27905 1 117 . 1 1 63 63 ARG H H 1 7.91274 . . . . . . . . 63 ARG H . 27905 1 118 . 1 1 63 63 ARG N N 15 120.16343 . . . . . . . . 63 ARG N . 27905 1 119 . 1 1 64 64 LEU H H 1 8.03754 . . . . . . . . 64 LEU H . 27905 1 120 . 1 1 64 64 LEU N N 15 122.53801 . . . . . . . . 64 LEU N . 27905 1 121 . 1 1 65 65 LYS H H 1 8.02593 . . . . . . . . 65 LYS H . 27905 1 122 . 1 1 65 65 LYS N N 15 120.47152 . . . . . . . . 65 LYS N . 27905 1 123 . 1 1 66 66 GLY H H 1 8.31601 . . . . . . . . 66 GLY H . 27905 1 124 . 1 1 66 66 GLY N N 15 109.78689 . . . . . . . . 66 GLY N . 27905 1 125 . 1 1 67 67 SER H H 1 8.24434 . . . . . . . . 67 SER H . 27905 1 126 . 1 1 67 67 SER N N 15 115.71346 . . . . . . . . 67 SER N . 27905 1 127 . 1 1 68 68 ASN H H 1 8.55828 . . . . . . . . 68 ASN H . 27905 1 128 . 1 1 68 68 ASN N N 15 120.92771 . . . . . . . . 68 ASN N . 27905 1 129 . 1 1 69 69 SER H H 1 7.89987 . . . . . . . . 69 SER H . 27905 1 130 . 1 1 69 69 SER N N 15 120.45348 . . . . . . . . 69 SER N . 27905 1 131 . 1 1 70 70 ASP H H 1 8.43324 . . . . . . . . 70 ASP H . 27905 1 132 . 1 1 70 70 ASP N N 15 122.53124 . . . . . . . . 70 ASP N . 27905 1 133 . 1 1 71 71 SER H H 1 8.15687 . . . . . . . . 71 SER H . 27905 1 134 . 1 1 71 71 SER N N 15 116.97996 . . . . . . . . 71 SER N . 27905 1 135 . 1 1 72 72 ASP H H 1 8.50751 . . . . . . . . 72 ASP H . 27905 1 136 . 1 1 72 72 ASP N N 15 122.12534 . . . . . . . . 72 ASP N . 27905 1 137 . 1 1 73 73 SER H H 1 8.14934 . . . . . . . . 73 SER H . 27905 1 138 . 1 1 73 73 SER N N 15 116.99942 . . . . . . . . 73 SER N . 27905 1 139 . 1 1 77 77 ALA H H 1 8.4443 . . . . . . . . 77 ALA H . 27905 1 140 . 1 1 77 77 ALA N N 15 124.6146 . . . . . . . . 77 ALA N . 27905 1 141 . 1 1 78 78 SER H H 1 8.21025 . . . . . . . . 78 SER H . 27905 1 142 . 1 1 78 78 SER N N 15 113.65432 . . . . . . . . 78 SER N . 27905 1 143 . 1 1 79 79 ASN H H 1 8.42346 . . . . . . . . 79 ASN H . 27905 1 144 . 1 1 79 79 ASN N N 15 119.50613 . . . . . . . . 79 ASN N . 27905 1 145 . 1 1 83 83 ASN H H 1 8.12135 . . . . . . . . 83 ASN H . 27905 1 146 . 1 1 83 83 ASN N N 15 118.09931 . . . . . . . . 83 ASN N . 27905 1 147 . 1 1 84 84 SER H H 1 8.44407 . . . . . . . . 84 SER H . 27905 1 148 . 1 1 84 84 SER N N 15 118.52626 . . . . . . . . 84 SER N . 27905 1 149 . 1 1 85 85 ARG H H 1 8.40417 . . . . . . . . 85 ARG H . 27905 1 150 . 1 1 85 85 ARG N N 15 122.84425 . . . . . . . . 85 ARG N . 27905 1 151 . 1 1 86 86 GLN H H 1 8.55259 . . . . . . . . 86 GLN H . 27905 1 152 . 1 1 86 86 GLN N N 15 120.94666 . . . . . . . . 86 GLN N . 27905 1 153 . 1 1 87 87 LYS H H 1 8.45734 . . . . . . . . 87 LYS H . 27905 1 154 . 1 1 87 87 LYS N N 15 123.50146 . . . . . . . . 87 LYS N . 27905 1 155 . 1 1 89 89 GLN H H 1 8.33648 . . . . . . . . 89 GLN H . 27905 1 156 . 1 1 89 89 GLN N N 15 120.50244 . . . . . . . . 89 GLN N . 27905 1 157 . 1 1 91 91 GLN H H 1 8.28018 . . . . . . . . 91 GLN H . 27905 1 158 . 1 1 91 91 GLN N N 15 121.05569 . . . . . . . . 91 GLN N . 27905 1 159 . 1 1 92 92 THR H H 1 8.10611 . . . . . . . . 92 THR H . 27905 1 160 . 1 1 92 92 THR N N 15 115.69282 . . . . . . . . 92 THR N . 27905 1 161 . 1 1 93 93 SER H H 1 8.41903 . . . . . . . . 93 SER H . 27905 1 162 . 1 1 93 93 SER N N 15 116.35674 . . . . . . . . 93 SER N . 27905 1 163 . 1 1 94 94 LYS H H 1 8.39772 . . . . . . . . 94 LYS H . 27905 1 164 . 1 1 94 94 LYS N N 15 125.47282 . . . . . . . . 94 LYS N . 27905 1 165 . 1 1 95 95 SER H H 1 8.32974 . . . . . . . . 95 SER H . 27905 1 166 . 1 1 95 95 SER N N 15 117.43735 . . . . . . . . 95 SER N . 27905 1 167 . 1 1 96 96 VAL H H 1 8.17117 . . . . . . . . 96 VAL H . 27905 1 168 . 1 1 96 96 VAL N N 15 116.95224 . . . . . . . . 96 VAL N . 27905 1 169 . 1 1 98 98 ARG H H 1 8.47853 . . . . . . . . 98 ARG H . 27905 1 170 . 1 1 98 98 ARG N N 15 122.20243 . . . . . . . . 98 ARG N . 27905 1 171 . 1 1 99 99 SER H H 1 8.27999 . . . . . . . . 99 SER H . 27905 1 172 . 1 1 99 99 SER N N 15 115.69821 . . . . . . . . 99 SER N . 27905 1 173 . 1 1 100 100 GLN H H 1 8.55412 . . . . . . . . 100 GLN H . 27905 1 174 . 1 1 100 100 GLN N N 15 120.36001 . . . . . . . . 100 GLN N . 27905 1 175 . 1 1 101 101 ARG H H 1 8.55812 . . . . . . . . 101 ARG H . 27905 1 176 . 1 1 101 101 ARG N N 15 122.2052 . . . . . . . . 101 ARG N . 27905 1 177 . 1 1 102 102 PHE H H 1 8.29134 . . . . . . . . 102 PHE H . 27905 1 178 . 1 1 102 102 PHE N N 15 116.26841 . . . . . . . . 102 PHE N . 27905 1 179 . 1 1 103 103 SER H H 1 8.05247 . . . . . . . . 103 SER H . 27905 1 180 . 1 1 103 103 SER N N 15 118.1305 . . . . . . . . 103 SER N . 27905 1 181 . 1 1 104 104 ARG H H 1 8.3793 . . . . . . . . 104 ARG H . 27905 1 182 . 1 1 104 104 ARG N N 15 122.80624 . . . . . . . . 104 ARG N . 27905 1 183 . 1 1 105 105 GLU H H 1 8.50143 . . . . . . . . 105 GLU H . 27905 1 184 . 1 1 105 105 GLU N N 15 121.79009 . . . . . . . . 105 GLU N . 27905 1 185 . 1 1 106 106 LEU H H 1 8.23692 . . . . . . . . 106 LEU H . 27905 1 186 . 1 1 106 106 LEU N N 15 122.15381 . . . . . . . . 106 LEU N . 27905 1 187 . 1 1 107 107 ASN H H 1 8.41809 . . . . . . . . 107 ASN H . 27905 1 188 . 1 1 107 107 ASN N N 15 116.46771 . . . . . . . . 107 ASN N . 27905 1 189 . 1 1 108 108 VAL H H 1 8.25538 . . . . . . . . 108 VAL H . 27905 1 190 . 1 1 108 108 VAL N N 15 116.33636 . . . . . . . . 108 VAL N . 27905 1 191 . 1 1 109 109 LYS H H 1 8.34879 . . . . . . . . 109 LYS H . 27905 1 192 . 1 1 109 109 LYS N N 15 123.08355 . . . . . . . . 109 LYS N . 27905 1 193 . 1 1 110 110 LYS H H 1 8.42867 . . . . . . . . 110 LYS H . 27905 1 194 . 1 1 110 110 LYS N N 15 123.50093 . . . . . . . . 110 LYS N . 27905 1 195 . 1 1 111 111 GLU H H 1 8.25034 . . . . . . . . 111 GLU H . 27905 1 196 . 1 1 111 111 GLU N N 15 121.44952 . . . . . . . . 111 GLU N . 27905 1 197 . 1 1 112 112 ASN H H 1 7.83716 . . . . . . . . 112 ASN H . 27905 1 198 . 1 1 112 112 ASN N N 15 119.38129 . . . . . . . . 112 ASN N . 27905 1 199 . 1 1 113 113 LYS H H 1 8.3296 . . . . . . . . 113 LYS H . 27905 1 200 . 1 1 113 113 LYS N N 15 123.26017 . . . . . . . . 113 LYS N . 27905 1 201 . 1 1 114 114 LYS H H 1 8.71476 . . . . . . . . 114 LYS H . 27905 1 202 . 1 1 114 114 LYS N N 15 122.43459 . . . . . . . . 114 LYS N . 27905 1 203 . 1 1 115 115 VAL H H 1 9.00039 . . . . . . . . 115 VAL H . 27905 1 204 . 1 1 115 115 VAL N N 15 119.15577 . . . . . . . . 115 VAL N . 27905 1 205 . 1 1 116 116 PHE H H 1 8.4246 . . . . . . . . 116 PHE H . 27905 1 206 . 1 1 116 116 PHE N N 15 125.79199 . . . . . . . . 116 PHE N . 27905 1 207 . 1 1 117 117 SER H H 1 8.05377 . . . . . . . . 117 SER H . 27905 1 208 . 1 1 117 117 SER N N 15 118.1409 . . . . . . . . 117 SER N . 27905 1 209 . 1 1 118 118 SER H H 1 8.44243 . . . . . . . . 118 SER H . 27905 1 210 . 1 1 118 118 SER N N 15 117.89077 . . . . . . . . 118 SER N . 27905 1 211 . 1 1 119 119 GLN H H 1 8.39098 . . . . . . . . 119 GLN H . 27905 1 212 . 1 1 119 119 GLN N N 15 119.97083 . . . . . . . . 119 GLN N . 27905 1 213 . 1 1 120 120 THR H H 1 8.19759 . . . . . . . . 120 THR H . 27905 1 214 . 1 1 120 120 THR N N 15 115.89411 . . . . . . . . 120 THR N . 27905 1 215 . 1 1 121 121 THR H H 1 8.23433 . . . . . . . . 121 THR H . 27905 1 216 . 1 1 121 121 THR N N 15 115.30531 . . . . . . . . 121 THR N . 27905 1 217 . 1 1 122 122 LYS H H 1 8.30839 . . . . . . . . 122 LYS H . 27905 1 218 . 1 1 122 122 LYS N N 15 125.91501 . . . . . . . . 122 LYS N . 27905 1 219 . 1 1 123 123 ARG H H 1 8.46258 . . . . . . . . 123 ARG H . 27905 1 220 . 1 1 123 123 ARG N N 15 122.79506 . . . . . . . . 123 ARG N . 27905 1 221 . 1 1 124 124 GLN H H 1 8.62414 . . . . . . . . 124 GLN H . 27905 1 222 . 1 1 124 124 GLN N N 15 121.27644 . . . . . . . . 124 GLN N . 27905 1 223 . 1 1 125 125 SER H H 1 8.38776 . . . . . . . . 125 SER H . 27905 1 224 . 1 1 125 125 SER N N 15 118.231 . . . . . . . . 125 SER N . 27905 1 225 . 1 1 126 126 ARG H H 1 8.4114 . . . . . . . . 126 ARG H . 27905 1 226 . 1 1 126 126 ARG N N 15 123.08067 . . . . . . . . 126 ARG N . 27905 1 227 . 1 1 127 127 LYS H H 1 8.41032 . . . . . . . . 127 LYS H . 27905 1 228 . 1 1 127 127 LYS N N 15 122.46641 . . . . . . . . 127 LYS N . 27905 1 229 . 1 1 128 128 GLN H H 1 8.35387 . . . . . . . . 128 GLN H . 27905 1 230 . 1 1 128 128 GLN N N 15 122.09303 . . . . . . . . 128 GLN N . 27905 1 231 . 1 1 129 129 SER H H 1 8.30879 . . . . . . . . 129 SER H . 27905 1 232 . 1 1 129 129 SER N N 15 117.97692 . . . . . . . . 129 SER N . 27905 1 233 . 1 1 130 130 THR H H 1 8.22528 . . . . . . . . 130 THR H . 27905 1 234 . 1 1 130 130 THR N N 15 114.5919 . . . . . . . . 130 THR N . 27905 1 235 . 1 1 131 131 ALA H H 1 8.31787 . . . . . . . . 131 ALA H . 27905 1 236 . 1 1 131 131 ALA N N 15 126.54115 . . . . . . . . 131 ALA N . 27905 1 237 . 1 1 132 132 LEU H H 1 8.52469 . . . . . . . . 132 LEU H . 27905 1 238 . 1 1 132 132 LEU N N 15 122.34766 . . . . . . . . 132 LEU N . 27905 1 239 . 1 1 133 133 THR H H 1 8.14369 . . . . . . . . 133 THR H . 27905 1 240 . 1 1 133 133 THR N N 15 113.22546 . . . . . . . . 133 THR N . 27905 1 241 . 1 1 134 134 THR H H 1 8.17143 . . . . . . . . 134 THR H . 27905 1 242 . 1 1 134 134 THR N N 15 115.23639 . . . . . . . . 134 THR N . 27905 1 243 . 1 1 135 135 ASN H H 1 8.32466 . . . . . . . . 135 ASN H . 27905 1 244 . 1 1 135 135 ASN N N 15 119.73299 . . . . . . . . 135 ASN N . 27905 1 245 . 1 1 136 136 ASP H H 1 8.27351 . . . . . . . . 136 ASP H . 27905 1 246 . 1 1 136 136 ASP N N 15 125.34425 . . . . . . . . 136 ASP N . 27905 1 247 . 1 1 137 137 THR H H 1 8.38165 . . . . . . . . 137 THR H . 27905 1 248 . 1 1 137 137 THR N N 15 109.21305 . . . . . . . . 137 THR N . 27905 1 249 . 1 1 138 138 SER H H 1 8.29898 . . . . . . . . 138 SER H . 27905 1 250 . 1 1 138 138 SER N N 15 116.34768 . . . . . . . . 138 SER N . 27905 1 251 . 1 1 139 139 ILE H H 1 8.09826 . . . . . . . . 139 ILE H . 27905 1 252 . 1 1 139 139 ILE N N 15 121.84726 . . . . . . . . 139 ILE N . 27905 1 253 . 1 1 140 140 ILE H H 1 8.24389 . . . . . . . . 140 ILE H . 27905 1 254 . 1 1 140 140 ILE N N 15 125.98994 . . . . . . . . 140 ILE N . 27905 1 255 . 1 1 141 141 LEU H H 1 8.36473 . . . . . . . . 141 LEU H . 27905 1 256 . 1 1 141 141 LEU N N 15 124.34868 . . . . . . . . 141 LEU N . 27905 1 257 . 1 1 142 142 ASP H H 1 8.30417 . . . . . . . . 142 ASP H . 27905 1 258 . 1 1 142 142 ASP N N 15 123.6391 . . . . . . . . 142 ASP N . 27905 1 259 . 1 1 143 143 ASP H H 1 8.14612 . . . . . . . . 143 ASP H . 27905 1 260 . 1 1 143 143 ASP N N 15 123.05481 . . . . . . . . 143 ASP N . 27905 1 261 . 1 1 144 144 SER H H 1 8.21874 . . . . . . . . 144 SER H . 27905 1 262 . 1 1 144 144 SER N N 15 117.49389 . . . . . . . . 144 SER N . 27905 1 263 . 1 1 145 145 LEU H H 1 8.34626 . . . . . . . . 145 LEU H . 27905 1 264 . 1 1 145 145 LEU N N 15 125.5812 . . . . . . . . 145 LEU N . 27905 1 265 . 1 1 147 147 THR H H 1 8.10681 . . . . . . . . 147 THR H . 27905 1 266 . 1 1 147 147 THR N N 15 114.97446 . . . . . . . . 147 THR N . 27905 1 267 . 1 1 148 148 ASN H H 1 8.4724 . . . . . . . . 148 ASN H . 27905 1 268 . 1 1 148 148 ASN N N 15 119.89399 . . . . . . . . 148 ASN N . 27905 1 269 . 1 1 149 149 SER H H 1 8.42813 . . . . . . . . 149 SER H . 27905 1 270 . 1 1 149 149 SER N N 15 118.53458 . . . . . . . . 149 SER N . 27905 1 271 . 1 1 150 150 LYS H H 1 8.39312 . . . . . . . . 150 LYS H . 27905 1 272 . 1 1 150 150 LYS N N 15 125.3389 . . . . . . . . 150 LYS N . 27905 1 273 . 1 1 151 151 LYS H H 1 8.41892 . . . . . . . . 151 LYS H . 27905 1 274 . 1 1 151 151 LYS N N 15 123.51432 . . . . . . . . 151 LYS N . 27905 1 275 . 1 1 152 152 LEU H H 1 8.37634 . . . . . . . . 152 LEU H . 27905 1 276 . 1 1 152 152 LEU N N 15 123.57924 . . . . . . . . 152 LEU N . 27905 1 277 . 1 1 153 153 GLY H H 1 8.40019 . . . . . . . . 153 GLY H . 27905 1 278 . 1 1 153 153 GLY N N 15 109.79847 . . . . . . . . 153 GLY N . 27905 1 279 . 1 1 154 154 LYS H H 1 8.33431 . . . . . . . . 154 LYS H . 27905 1 280 . 1 1 154 154 LYS N N 15 122.55136 . . . . . . . . 154 LYS N . 27905 1 281 . 1 1 155 155 THR H H 1 8.2214 . . . . . . . . 155 THR H . 27905 1 282 . 1 1 155 155 THR N N 15 114.75044 . . . . . . . . 155 THR N . 27905 1 283 . 1 1 156 156 ARG H H 1 8.48565 . . . . . . . . 156 ARG H . 27905 1 284 . 1 1 156 156 ARG N N 15 123.41789 . . . . . . . . 156 ARG N . 27905 1 285 . 1 1 157 157 ASN H H 1 8.30804 . . . . . . . . 157 ASN H . 27905 1 286 . 1 1 157 157 ASN N N 15 119.09247 . . . . . . . . 157 ASN N . 27905 1 287 . 1 1 158 158 GLU H H 1 8.43436 . . . . . . . . 158 GLU H . 27905 1 288 . 1 1 158 158 GLU N N 15 121.64476 . . . . . . . . 158 GLU N . 27905 1 289 . 1 1 160 160 LYS H H 1 8.57156 . . . . . . . . 160 LYS H . 27905 1 290 . 1 1 160 160 LYS N N 15 122.49569 . . . . . . . . 160 LYS N . 27905 1 291 . 1 1 161 161 GLU H H 1 8.27669 . . . . . . . . 161 GLU H . 27905 1 292 . 1 1 161 161 GLU N N 15 121.61284 . . . . . . . . 161 GLU N . 27905 1 293 . 1 1 162 162 GLU H H 1 8.37449 . . . . . . . . 162 GLU H . 27905 1 294 . 1 1 162 162 GLU N N 15 121.33149 . . . . . . . . 162 GLU N . 27905 1 295 . 1 1 163 163 SER H H 1 8.37068 . . . . . . . . 163 SER H . 27905 1 296 . 1 1 163 163 SER N N 15 115.40188 . . . . . . . . 163 SER N . 27905 1 297 . 1 1 164 164 GLN H H 1 8.33156 . . . . . . . . 164 GLN H . 27905 1 298 . 1 1 164 164 GLN N N 15 120.73878 . . . . . . . . 164 GLN N . 27905 1 299 . 1 1 165 165 LYS H H 1 7.81925 . . . . . . . . 165 LYS H . 27905 1 300 . 1 1 165 165 LYS N N 15 120.40554 . . . . . . . . 165 LYS N . 27905 1 301 . 1 1 166 166 ARG H H 1 8.62082 . . . . . . . . 166 ARG H . 27905 1 302 . 1 1 166 166 ARG N N 15 121.16651 . . . . . . . . 166 ARG N . 27905 1 303 . 1 1 167 167 GLU H H 1 8.52985 . . . . . . . . 167 GLU H . 27905 1 304 . 1 1 167 167 GLU N N 15 121.54557 . . . . . . . . 167 GLU N . 27905 1 305 . 1 1 168 168 LEU H H 1 8.23905 . . . . . . . . 168 LEU H . 27905 1 306 . 1 1 168 168 LEU N N 15 122.82448 . . . . . . . . 168 LEU N . 27905 1 307 . 1 1 169 169 VAL H H 1 8.24703 . . . . . . . . 169 VAL H . 27905 1 308 . 1 1 169 169 VAL N N 15 121.15779 . . . . . . . . 169 VAL N . 27905 1 309 . 1 1 170 170 SER H H 1 8.32598 . . . . . . . . 170 SER H . 27905 1 310 . 1 1 170 170 SER N N 15 119.23674 . . . . . . . . 170 SER N . 27905 1 311 . 1 1 171 171 ASN H H 1 8.4756 . . . . . . . . 171 ASN H . 27905 1 312 . 1 1 171 171 ASN N N 15 119.83178 . . . . . . . . 171 ASN N . 27905 1 313 . 1 1 172 172 SER H H 1 8.43178 . . . . . . . . 172 SER H . 27905 1 314 . 1 1 172 172 SER N N 15 118.78116 . . . . . . . . 172 SER N . 27905 1 315 . 1 1 173 173 ILE H H 1 8.27087 . . . . . . . . 173 ILE H . 27905 1 316 . 1 1 173 173 ILE N N 15 122.53348 . . . . . . . . 173 ILE N . 27905 1 317 . 1 1 174 174 LYS H H 1 8.35875 . . . . . . . . 174 LYS H . 27905 1 318 . 1 1 174 174 LYS N N 15 125.6645 . . . . . . . . 174 LYS N . 27905 1 319 . 1 1 175 175 GLU H H 1 8.30112 . . . . . . . . 175 GLU H . 27905 1 320 . 1 1 175 175 GLU N N 15 121.92873 . . . . . . . . 175 GLU N . 27905 1 321 . 1 1 176 176 ALA H H 1 8.42153 . . . . . . . . 176 ALA H . 27905 1 322 . 1 1 176 176 ALA N N 15 127.68403 . . . . . . . . 176 ALA N . 27905 1 323 . 1 1 177 177 THR H H 1 8.15043 . . . . . . . . 177 THR H . 27905 1 324 . 1 1 177 177 THR N N 15 113.61523 . . . . . . . . 177 THR N . 27905 1 325 . 1 1 178 178 SER H H 1 8.38421 . . . . . . . . 178 SER H . 27905 1 326 . 1 1 178 178 SER N N 15 116.20725 . . . . . . . . 178 SER N . 27905 1 327 . 1 1 180 180 LYS H H 1 8.43191 . . . . . . . . 180 LYS H . 27905 1 328 . 1 1 180 180 LYS N N 15 121.54974 . . . . . . . . 180 LYS N . 27905 1 329 . 1 1 181 181 THR H H 1 8.21841 . . . . . . . . 181 THR H . 27905 1 330 . 1 1 181 181 THR N N 15 114.74467 . . . . . . . . 181 THR N . 27905 1 331 . 1 1 182 182 SER H H 1 8.29587 . . . . . . . . 182 SER H . 27905 1 332 . 1 1 182 182 SER N N 15 116.12344 . . . . . . . . 182 SER N . 27905 1 333 . 1 1 183 183 SER H H 1 8.39622 . . . . . . . . 183 SER H . 27905 1 334 . 1 1 183 183 SER N N 15 116.85551 . . . . . . . . 183 SER N . 27905 1 335 . 1 1 184 184 ILE H H 1 8.15098 . . . . . . . . 184 ILE H . 27905 1 336 . 1 1 184 184 ILE N N 15 122.39463 . . . . . . . . 184 ILE N . 27905 1 337 . 1 1 185 185 LEU H H 1 8.21462 . . . . . . . . 185 LEU H . 27905 1 338 . 1 1 185 185 LEU N N 15 123.71804 . . . . . . . . 185 LEU N . 27905 1 339 . 1 1 186 186 THR H H 1 8.14904 . . . . . . . . 186 THR H . 27905 1 340 . 1 1 186 186 THR N N 15 113.23259 . . . . . . . . 186 THR N . 27905 1 341 . 1 1 187 187 LYS H H 1 8.31816 . . . . . . . . 187 LYS H . 27905 1 342 . 1 1 187 187 LYS N N 15 125.92909 . . . . . . . . 187 LYS N . 27905 1 343 . 1 1 189 189 ARG H H 1 8.44693 . . . . . . . . 189 ARG H . 27905 1 344 . 1 1 189 189 ARG N N 15 121.95218 . . . . . . . . 189 ARG N . 27905 1 345 . 1 1 190 190 ASN H H 1 8.20773 . . . . . . . . 190 ASN H . 27905 1 346 . 1 1 190 190 ASN N N 15 118.97816 . . . . . . . . 190 ASN N . 27905 1 stop_ save_