data_26628 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26628 _Entry.Title ; assignment of HuR RRM1-2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-08-08 _Entry.Accession_date 2015-08-08 _Entry.Last_release_date 2015-09-23 _Entry.Original_release_date 2015-09-23 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Zhonghua Wang . . . . 26628 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26628 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 153 26628 '1H chemical shifts' 153 26628 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 . . 2016-07-11 2015-08-08 update BMRB 'update entry citation' 26628 1 . . 2015-09-23 2015-08-08 original author 'original release' 26628 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26628 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26390015 _Citation.Full_citation . _Citation.Title ; Identification of small-molecule inhibitors of the HuR/RNA interaction using a fluorescence polarization screening assay followed by NMR validation. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'PLoS One' _Citation.Journal_name_full . _Citation.Journal_volume 10 _Citation.Journal_issue 9 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first e0138780 _Citation.Page_last e0138780 _Citation.Year 2015 _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 Zhonghua Wang . . . . 26628 1 2 Akash Bhattacharya . . . . 26628 1 3 Dmitri Ivanov . N. . . 26628 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26628 _Assembly.ID 1 _Assembly.Name 'HuR RRM1-2' _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 RRM1-2 1 $HuR A . yes native no no . . . 26628 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HuR _Entity.Sf_category entity _Entity.Sf_framecode HuR _Entity.Entry_ID 26628 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HuR _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 ; MHHHHHHMSNGYEDHMAEDC RGDIGRTNLIVNYLPQNMTQ DELRSLFSSIGEVESAKLIR DKVAGHSLGYGFVNYVTAKD AERAINTLNGLRLQSKTIKV SYARPSSEVIKDANLYISGL PRTMTQKDVEDMFSRFGRII NSRVLVDQTTGLSRGVAFIR FDKRSEAEEAITSFNGHKPP GSSEPITVKFAAN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 1 _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 193 _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 -6 MET . 26628 1 2 -5 HIS . 26628 1 3 -4 HIS . 26628 1 4 -3 HIS . 26628 1 5 -2 HIS . 26628 1 6 -1 HIS . 26628 1 7 0 HIS . 26628 1 8 1 MET . 26628 1 9 2 SER . 26628 1 10 3 ASN . 26628 1 11 4 GLY . 26628 1 12 5 TYR . 26628 1 13 6 GLU . 26628 1 14 7 ASP . 26628 1 15 8 HIS . 26628 1 16 9 MET . 26628 1 17 10 ALA . 26628 1 18 11 GLU . 26628 1 19 12 ASP . 26628 1 20 13 CYS . 26628 1 21 14 ARG . 26628 1 22 15 GLY . 26628 1 23 16 ASP . 26628 1 24 17 ILE . 26628 1 25 18 GLY . 26628 1 26 19 ARG . 26628 1 27 20 THR . 26628 1 28 21 ASN . 26628 1 29 22 LEU . 26628 1 30 23 ILE . 26628 1 31 24 VAL . 26628 1 32 25 ASN . 26628 1 33 26 TYR . 26628 1 34 27 LEU . 26628 1 35 28 PRO . 26628 1 36 29 GLN . 26628 1 37 30 ASN . 26628 1 38 31 MET . 26628 1 39 32 THR . 26628 1 40 33 GLN . 26628 1 41 34 ASP . 26628 1 42 35 GLU . 26628 1 43 36 LEU . 26628 1 44 37 ARG . 26628 1 45 38 SER . 26628 1 46 39 LEU . 26628 1 47 40 PHE . 26628 1 48 41 SER . 26628 1 49 42 SER . 26628 1 50 43 ILE . 26628 1 51 44 GLY . 26628 1 52 45 GLU . 26628 1 53 46 VAL . 26628 1 54 47 GLU . 26628 1 55 48 SER . 26628 1 56 49 ALA . 26628 1 57 50 LYS . 26628 1 58 51 LEU . 26628 1 59 52 ILE . 26628 1 60 53 ARG . 26628 1 61 54 ASP . 26628 1 62 55 LYS . 26628 1 63 56 VAL . 26628 1 64 57 ALA . 26628 1 65 58 GLY . 26628 1 66 59 HIS . 26628 1 67 60 SER . 26628 1 68 61 LEU . 26628 1 69 62 GLY . 26628 1 70 63 TYR . 26628 1 71 64 GLY . 26628 1 72 65 PHE . 26628 1 73 66 VAL . 26628 1 74 67 ASN . 26628 1 75 68 TYR . 26628 1 76 69 VAL . 26628 1 77 70 THR . 26628 1 78 71 ALA . 26628 1 79 72 LYS . 26628 1 80 73 ASP . 26628 1 81 74 ALA . 26628 1 82 75 GLU . 26628 1 83 76 ARG . 26628 1 84 77 ALA . 26628 1 85 78 ILE . 26628 1 86 79 ASN . 26628 1 87 80 THR . 26628 1 88 81 LEU . 26628 1 89 82 ASN . 26628 1 90 83 GLY . 26628 1 91 84 LEU . 26628 1 92 85 ARG . 26628 1 93 86 LEU . 26628 1 94 87 GLN . 26628 1 95 88 SER . 26628 1 96 89 LYS . 26628 1 97 90 THR . 26628 1 98 91 ILE . 26628 1 99 92 LYS . 26628 1 100 93 VAL . 26628 1 101 94 SER . 26628 1 102 95 TYR . 26628 1 103 96 ALA . 26628 1 104 97 ARG . 26628 1 105 98 PRO . 26628 1 106 99 SER . 26628 1 107 100 SER . 26628 1 108 101 GLU . 26628 1 109 102 VAL . 26628 1 110 103 ILE . 26628 1 111 104 LYS . 26628 1 112 105 ASP . 26628 1 113 106 ALA . 26628 1 114 107 ASN . 26628 1 115 108 LEU . 26628 1 116 109 TYR . 26628 1 117 110 ILE . 26628 1 118 111 SER . 26628 1 119 112 GLY . 26628 1 120 113 LEU . 26628 1 121 114 PRO . 26628 1 122 115 ARG . 26628 1 123 116 THR . 26628 1 124 117 MET . 26628 1 125 118 THR . 26628 1 126 119 GLN . 26628 1 127 120 LYS . 26628 1 128 121 ASP . 26628 1 129 122 VAL . 26628 1 130 123 GLU . 26628 1 131 124 ASP . 26628 1 132 125 MET . 26628 1 133 126 PHE . 26628 1 134 127 SER . 26628 1 135 128 ARG . 26628 1 136 129 PHE . 26628 1 137 130 GLY . 26628 1 138 131 ARG . 26628 1 139 132 ILE . 26628 1 140 133 ILE . 26628 1 141 134 ASN . 26628 1 142 135 SER . 26628 1 143 136 ARG . 26628 1 144 137 VAL . 26628 1 145 138 LEU . 26628 1 146 139 VAL . 26628 1 147 140 ASP . 26628 1 148 141 GLN . 26628 1 149 142 THR . 26628 1 150 143 THR . 26628 1 151 144 GLY . 26628 1 152 145 LEU . 26628 1 153 146 SER . 26628 1 154 147 ARG . 26628 1 155 148 GLY . 26628 1 156 149 VAL . 26628 1 157 150 ALA . 26628 1 158 151 PHE . 26628 1 159 152 ILE . 26628 1 160 153 ARG . 26628 1 161 154 PHE . 26628 1 162 155 ASP . 26628 1 163 156 LYS . 26628 1 164 157 ARG . 26628 1 165 158 SER . 26628 1 166 159 GLU . 26628 1 167 160 ALA . 26628 1 168 161 GLU . 26628 1 169 162 GLU . 26628 1 170 163 ALA . 26628 1 171 164 ILE . 26628 1 172 165 THR . 26628 1 173 166 SER . 26628 1 174 167 PHE . 26628 1 175 168 ASN . 26628 1 176 169 GLY . 26628 1 177 170 HIS . 26628 1 178 171 LYS . 26628 1 179 172 PRO . 26628 1 180 173 PRO . 26628 1 181 174 GLY . 26628 1 182 175 SER . 26628 1 183 176 SER . 26628 1 184 177 GLU . 26628 1 185 178 PRO . 26628 1 186 179 ILE . 26628 1 187 180 THR . 26628 1 188 181 VAL . 26628 1 189 182 LYS . 26628 1 190 183 PHE . 26628 1 191 184 ALA . 26628 1 192 185 ALA . 26628 1 193 186 ASN . 26628 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 26628 1 . HIS 2 2 26628 1 . HIS 3 3 26628 1 . HIS 4 4 26628 1 . HIS 5 5 26628 1 . HIS 6 6 26628 1 . HIS 7 7 26628 1 . MET 8 8 26628 1 . SER 9 9 26628 1 . ASN 10 10 26628 1 . GLY 11 11 26628 1 . TYR 12 12 26628 1 . GLU 13 13 26628 1 . ASP 14 14 26628 1 . HIS 15 15 26628 1 . MET 16 16 26628 1 . ALA 17 17 26628 1 . GLU 18 18 26628 1 . ASP 19 19 26628 1 . CYS 20 20 26628 1 . ARG 21 21 26628 1 . GLY 22 22 26628 1 . ASP 23 23 26628 1 . ILE 24 24 26628 1 . GLY 25 25 26628 1 . ARG 26 26 26628 1 . THR 27 27 26628 1 . ASN 28 28 26628 1 . LEU 29 29 26628 1 . ILE 30 30 26628 1 . VAL 31 31 26628 1 . ASN 32 32 26628 1 . TYR 33 33 26628 1 . LEU 34 34 26628 1 . PRO 35 35 26628 1 . GLN 36 36 26628 1 . ASN 37 37 26628 1 . MET 38 38 26628 1 . THR 39 39 26628 1 . GLN 40 40 26628 1 . ASP 41 41 26628 1 . GLU 42 42 26628 1 . LEU 43 43 26628 1 . ARG 44 44 26628 1 . SER 45 45 26628 1 . LEU 46 46 26628 1 . PHE 47 47 26628 1 . SER 48 48 26628 1 . SER 49 49 26628 1 . ILE 50 50 26628 1 . GLY 51 51 26628 1 . GLU 52 52 26628 1 . VAL 53 53 26628 1 . GLU 54 54 26628 1 . SER 55 55 26628 1 . ALA 56 56 26628 1 . LYS 57 57 26628 1 . LEU 58 58 26628 1 . ILE 59 59 26628 1 . ARG 60 60 26628 1 . ASP 61 61 26628 1 . LYS 62 62 26628 1 . VAL 63 63 26628 1 . ALA 64 64 26628 1 . GLY 65 65 26628 1 . HIS 66 66 26628 1 . SER 67 67 26628 1 . LEU 68 68 26628 1 . GLY 69 69 26628 1 . TYR 70 70 26628 1 . GLY 71 71 26628 1 . PHE 72 72 26628 1 . VAL 73 73 26628 1 . ASN 74 74 26628 1 . TYR 75 75 26628 1 . VAL 76 76 26628 1 . THR 77 77 26628 1 . ALA 78 78 26628 1 . LYS 79 79 26628 1 . ASP 80 80 26628 1 . ALA 81 81 26628 1 . GLU 82 82 26628 1 . ARG 83 83 26628 1 . ALA 84 84 26628 1 . ILE 85 85 26628 1 . ASN 86 86 26628 1 . THR 87 87 26628 1 . LEU 88 88 26628 1 . ASN 89 89 26628 1 . GLY 90 90 26628 1 . LEU 91 91 26628 1 . ARG 92 92 26628 1 . LEU 93 93 26628 1 . GLN 94 94 26628 1 . SER 95 95 26628 1 . LYS 96 96 26628 1 . THR 97 97 26628 1 . ILE 98 98 26628 1 . LYS 99 99 26628 1 . VAL 100 100 26628 1 . SER 101 101 26628 1 . TYR 102 102 26628 1 . ALA 103 103 26628 1 . ARG 104 104 26628 1 . PRO 105 105 26628 1 . SER 106 106 26628 1 . SER 107 107 26628 1 . GLU 108 108 26628 1 . VAL 109 109 26628 1 . ILE 110 110 26628 1 . LYS 111 111 26628 1 . ASP 112 112 26628 1 . ALA 113 113 26628 1 . ASN 114 114 26628 1 . LEU 115 115 26628 1 . TYR 116 116 26628 1 . ILE 117 117 26628 1 . SER 118 118 26628 1 . GLY 119 119 26628 1 . LEU 120 120 26628 1 . PRO 121 121 26628 1 . ARG 122 122 26628 1 . THR 123 123 26628 1 . MET 124 124 26628 1 . THR 125 125 26628 1 . GLN 126 126 26628 1 . LYS 127 127 26628 1 . ASP 128 128 26628 1 . VAL 129 129 26628 1 . GLU 130 130 26628 1 . ASP 131 131 26628 1 . MET 132 132 26628 1 . PHE 133 133 26628 1 . SER 134 134 26628 1 . ARG 135 135 26628 1 . PHE 136 136 26628 1 . GLY 137 137 26628 1 . ARG 138 138 26628 1 . ILE 139 139 26628 1 . ILE 140 140 26628 1 . ASN 141 141 26628 1 . SER 142 142 26628 1 . ARG 143 143 26628 1 . VAL 144 144 26628 1 . LEU 145 145 26628 1 . VAL 146 146 26628 1 . ASP 147 147 26628 1 . GLN 148 148 26628 1 . THR 149 149 26628 1 . THR 150 150 26628 1 . GLY 151 151 26628 1 . LEU 152 152 26628 1 . SER 153 153 26628 1 . ARG 154 154 26628 1 . GLY 155 155 26628 1 . VAL 156 156 26628 1 . ALA 157 157 26628 1 . PHE 158 158 26628 1 . ILE 159 159 26628 1 . ARG 160 160 26628 1 . PHE 161 161 26628 1 . ASP 162 162 26628 1 . LYS 163 163 26628 1 . ARG 164 164 26628 1 . SER 165 165 26628 1 . GLU 166 166 26628 1 . ALA 167 167 26628 1 . GLU 168 168 26628 1 . GLU 169 169 26628 1 . ALA 170 170 26628 1 . ILE 171 171 26628 1 . THR 172 172 26628 1 . SER 173 173 26628 1 . PHE 174 174 26628 1 . ASN 175 175 26628 1 . GLY 176 176 26628 1 . HIS 177 177 26628 1 . LYS 178 178 26628 1 . PRO 179 179 26628 1 . PRO 180 180 26628 1 . GLY 181 181 26628 1 . SER 182 182 26628 1 . SER 183 183 26628 1 . GLU 184 184 26628 1 . PRO 185 185 26628 1 . ILE 186 186 26628 1 . THR 187 187 26628 1 . VAL 188 188 26628 1 . LYS 189 189 26628 1 . PHE 190 190 26628 1 . ALA 191 191 26628 1 . ALA 192 192 26628 1 . ASN 193 193 26628 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 26628 _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 $HuR . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 26628 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 26628 _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 $HuR . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . Pet14b . . . 26628 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26628 _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 HuR 'U-100% 13C; U-100% 15N' . . 1 $HuR . . 0.15 . . mM . . . . 26628 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 26628 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 26628 1 4 Nacl 'natural abundance' . . . . . . 150 . . mM . . . . 26628 1 5 NaPi 'natural abundance' . . . . . . 50 . . mM . . . . 26628 1 6 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 26628 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 26628 _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' 100 . mM 26628 1 pH 7 . pH 26628 1 pressure 1 . atm 26628 1 temperature 298 . K 26628 1 stop_ save_ ############################ # Computer software used # ############################ save_nmrView _Software.Sf_category software _Software.Sf_framecode nmrView _Software.Entry_ID 26628 _Software.ID 1 _Software.Name nmrView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 26628 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26628 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 26628 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 26628 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 26628 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 26628 _Software.ID 3 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 26628 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 26628 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 26628 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 26628 _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 . 600 . . . 26628 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 26628 _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 . . . . . . . . . . . . . . . . 26628 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26628 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26628 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 26628 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 26628 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 26628 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26628 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 26628 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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 '3D CBCA(CO)NH' . . . 26628 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 9 9 SER H H 1 8.276 0.02 . 1 . . . . 2 SER H . 26628 1 2 . 1 1 9 9 SER N N 15 116.632 0.2 . 1 . . . . 2 SER N . 26628 1 3 . 1 1 10 10 ASN H H 1 8.496 0.02 . 1 . . . . 3 ASN H . 26628 1 4 . 1 1 10 10 ASN N N 15 121.903 0.2 . 1 . . . . 3 ASN N . 26628 1 5 . 1 1 11 11 GLY H H 1 8.255 0.02 . 1 . . . . 4 GLY H . 26628 1 6 . 1 1 11 11 GLY N N 15 108.87 0.2 . 1 . . . . 4 GLY N . 26628 1 7 . 1 1 12 12 TYR H H 1 7.924 0.02 . 1 . . . . 5 TYR H . 26628 1 8 . 1 1 12 12 TYR N N 15 119.926 0.2 . 1 . . . . 5 TYR N . 26628 1 9 . 1 1 14 14 ASP H H 1 8.126 0.02 . 1 . . . . 7 ASP H . 26628 1 10 . 1 1 14 14 ASP N N 15 120.867 0.2 . 1 . . . . 7 ASP N . 26628 1 11 . 1 1 16 16 MET H H 1 8.22 0.02 . 1 . . . . 9 MET H . 26628 1 12 . 1 1 16 16 MET N N 15 122.106 0.2 . 1 . . . . 9 MET N . 26628 1 13 . 1 1 17 17 ALA H H 1 8.457 0.02 . 1 . . . . 10 ALA H . 26628 1 14 . 1 1 17 17 ALA N N 15 124.901 0.2 . 1 . . . . 10 ALA N . 26628 1 15 . 1 1 18 18 GLU H H 1 8.372 0.02 . 1 . . . . 11 GLU H . 26628 1 16 . 1 1 18 18 GLU N N 15 119.689 0.2 . 1 . . . . 11 GLU N . 26628 1 17 . 1 1 19 19 ASP H H 1 8.304 0.02 . 1 . . . . 12 ASP H . 26628 1 18 . 1 1 19 19 ASP N N 15 121.396 0.2 . 1 . . . . 12 ASP N . 26628 1 19 . 1 1 20 20 CYS H H 1 8.199 0.02 . 1 . . . . 13 CYS H . 26628 1 20 . 1 1 20 20 CYS N N 15 119.839 0.2 . 1 . . . . 13 CYS N . 26628 1 21 . 1 1 21 21 ARG H H 1 8.206 0.02 . 1 . . . . 14 ARG H . 26628 1 22 . 1 1 21 21 ARG N N 15 122.538 0.2 . 1 . . . . 14 ARG N . 26628 1 23 . 1 1 22 22 GLY H H 1 8.234 0.02 . 1 . . . . 15 GLY H . 26628 1 24 . 1 1 22 22 GLY N N 15 108.822 0.2 . 1 . . . . 15 GLY N . 26628 1 25 . 1 1 23 23 ASP H H 1 8.164 0.02 . 1 . . . . 16 ASP H . 26628 1 26 . 1 1 23 23 ASP N N 15 120.336 0.2 . 1 . . . . 16 ASP N . 26628 1 27 . 1 1 24 24 ILE H H 1 7.84 0.02 . 1 . . . . 17 ILE H . 26628 1 28 . 1 1 24 24 ILE N N 15 119.774 0.2 . 1 . . . . 17 ILE N . 26628 1 29 . 1 1 25 25 GLY H H 1 8.405 0.02 . 1 . . . . 18 GLY H . 26628 1 30 . 1 1 25 25 GLY N N 15 111.35 0.2 . 1 . . . . 18 GLY N . 26628 1 31 . 1 1 27 27 THR H H 1 8.069 0.02 . 1 . . . . 20 THR H . 26628 1 32 . 1 1 27 27 THR N N 15 108.853 0.2 . 1 . . . . 20 THR N . 26628 1 33 . 1 1 28 28 ASN H H 1 7.764 0.02 . 1 . . . . 21 ASN H . 26628 1 34 . 1 1 28 28 ASN N N 15 120.406 0.2 . 1 . . . . 21 ASN N . 26628 1 35 . 1 1 29 29 LEU H H 1 9.614 0.02 . 1 . . . . 22 LEU H . 26628 1 36 . 1 1 29 29 LEU N N 15 127.194 0.2 . 1 . . . . 22 LEU N . 26628 1 37 . 1 1 30 30 ILE H H 1 9.154 0.02 . 1 . . . . 23 ILE H . 26628 1 38 . 1 1 30 30 ILE N N 15 121.436 0.2 . 1 . . . . 23 ILE N . 26628 1 39 . 1 1 31 31 VAL H H 1 8.573 0.02 . 1 . . . . 24 VAL H . 26628 1 40 . 1 1 31 31 VAL N N 15 128.388 0.2 . 1 . . . . 24 VAL N . 26628 1 41 . 1 1 33 33 TYR H H 1 8.297 0.02 . 1 . . . . 26 TYR H . 26628 1 42 . 1 1 33 33 TYR N N 15 114.589 0.2 . 1 . . . . 26 TYR N . 26628 1 43 . 1 1 34 34 LEU H H 1 8.177 0.02 . 1 . . . . 27 LEU H . 26628 1 44 . 1 1 34 34 LEU N N 15 112.331 0.2 . 1 . . . . 27 LEU N . 26628 1 45 . 1 1 36 36 GLN H H 1 9.093 0.02 . 1 . . . . 29 GLN H . 26628 1 46 . 1 1 36 36 GLN N N 15 123.652 0.2 . 1 . . . . 29 GLN N . 26628 1 47 . 1 1 37 37 ASN H H 1 7.848 0.02 . 1 . . . . 30 ASN H . 26628 1 48 . 1 1 37 37 ASN N N 15 114.234 0.2 . 1 . . . . 30 ASN N . 26628 1 49 . 1 1 38 38 MET H H 1 7.193 0.02 . 1 . . . . 31 MET H . 26628 1 50 . 1 1 38 38 MET N N 15 121.674 0.2 . 1 . . . . 31 MET N . 26628 1 51 . 1 1 39 39 THR H H 1 8.542 0.02 . 1 . . . . 32 THR H . 26628 1 52 . 1 1 39 39 THR N N 15 118.778 0.2 . 1 . . . . 32 THR N . 26628 1 53 . 1 1 40 40 GLN H H 1 9.116 0.02 . 1 . . . . 33 GLN H . 26628 1 54 . 1 1 40 40 GLN N N 15 121.049 0.2 . 1 . . . . 33 GLN N . 26628 1 55 . 1 1 41 41 ASP H H 1 8.312 0.02 . 1 . . . . 34 ASP H . 26628 1 56 . 1 1 41 41 ASP N N 15 118.079 0.2 . 1 . . . . 34 ASP N . 26628 1 57 . 1 1 42 42 GLU H H 1 7.595 0.02 . 1 . . . . 35 GLU H . 26628 1 58 . 1 1 42 42 GLU N N 15 121.468 0.2 . 1 . . . . 35 GLU N . 26628 1 59 . 1 1 43 43 LEU H H 1 8.126 0.02 . 1 . . . . 36 LEU H . 26628 1 60 . 1 1 43 43 LEU N N 15 123.096 0.2 . 1 . . . . 36 LEU N . 26628 1 61 . 1 1 44 44 ARG H H 1 8.231 0.02 . 1 . . . . 37 ARG H . 26628 1 62 . 1 1 44 44 ARG N N 15 118.1 0.2 . 1 . . . . 37 ARG N . 26628 1 63 . 1 1 45 45 SER H H 1 8.461 0.02 . 1 . . . . 38 SER H . 26628 1 64 . 1 1 45 45 SER N N 15 116.048 0.2 . 1 . . . . 38 SER N . 26628 1 65 . 1 1 46 46 LEU H H 1 8.004 0.02 . 1 . . . . 39 LEU H . 26628 1 66 . 1 1 46 46 LEU N N 15 122.458 0.2 . 1 . . . . 39 LEU N . 26628 1 67 . 1 1 47 47 PHE H H 1 7.836 0.02 . 1 . . . . 40 PHE H . 26628 1 68 . 1 1 47 47 PHE N N 15 116.813 0.2 . 1 . . . . 40 PHE N . 26628 1 69 . 1 1 48 48 SER H H 1 8.892 0.02 . 1 . . . . 41 SER H . 26628 1 70 . 1 1 48 48 SER N N 15 121.403 0.2 . 1 . . . . 41 SER N . 26628 1 71 . 1 1 49 49 SER H H 1 7.249 0.02 . 1 . . . . 42 SER H . 26628 1 72 . 1 1 49 49 SER N N 15 115.697 0.2 . 1 . . . . 42 SER N . 26628 1 73 . 1 1 50 50 ILE H H 1 7.04 0.02 . 1 . . . . 43 ILE H . 26628 1 74 . 1 1 50 50 ILE N N 15 120.067 0.2 . 1 . . . . 43 ILE N . 26628 1 75 . 1 1 51 51 GLY H H 1 7.081 0.02 . 1 . . . . 44 GLY H . 26628 1 76 . 1 1 51 51 GLY N N 15 104.604 0.2 . 1 . . . . 44 GLY N . 26628 1 77 . 1 1 52 52 GLU H H 1 8.162 0.02 . 1 . . . . 45 GLU H . 26628 1 78 . 1 1 52 52 GLU N N 15 117.149 0.2 . 1 . . . . 45 GLU N . 26628 1 79 . 1 1 53 53 VAL H H 1 8.888 0.02 . 1 . . . . 46 VAL H . 26628 1 80 . 1 1 53 53 VAL N N 15 129.136 0.2 . 1 . . . . 46 VAL N . 26628 1 81 . 1 1 54 54 GLU H H 1 9.152 0.02 . 1 . . . . 47 GLU H . 26628 1 82 . 1 1 54 54 GLU N N 15 130.976 0.2 . 1 . . . . 47 GLU N . 26628 1 83 . 1 1 55 55 SER H H 1 7.549 0.02 . 1 . . . . 48 SER H . 26628 1 84 . 1 1 55 55 SER N N 15 109.142 0.2 . 1 . . . . 48 SER N . 26628 1 85 . 1 1 56 56 ALA H H 1 8.053 0.02 . 1 . . . . 49 ALA H . 26628 1 86 . 1 1 56 56 ALA N N 15 122.959 0.2 . 1 . . . . 49 ALA N . 26628 1 87 . 1 1 58 58 LEU H H 1 8.655 0.02 . 1 . . . . 51 LEU H . 26628 1 88 . 1 1 58 58 LEU N N 15 126.704 0.2 . 1 . . . . 51 LEU N . 26628 1 89 . 1 1 59 59 ILE H H 1 8.147 0.02 . 1 . . . . 52 ILE H . 26628 1 90 . 1 1 59 59 ILE N N 15 127.566 0.2 . 1 . . . . 52 ILE N . 26628 1 91 . 1 1 60 60 ARG H H 1 8.015 0.02 . 1 . . . . 53 ARG H . 26628 1 92 . 1 1 60 60 ARG N N 15 124.789 0.2 . 1 . . . . 53 ARG N . 26628 1 93 . 1 1 62 62 LYS H H 1 8.565 0.02 . 1 . . . . 55 LYS H . 26628 1 94 . 1 1 62 62 LYS N N 15 122.975 0.2 . 1 . . . . 55 LYS N . 26628 1 95 . 1 1 63 63 VAL H H 1 7.998 0.02 . 1 . . . . 56 VAL H . 26628 1 96 . 1 1 63 63 VAL N N 15 119.251 0.2 . 1 . . . . 56 VAL N . 26628 1 97 . 1 1 65 65 GLY H H 1 7.629 0.02 . 1 . . . . 58 GLY H . 26628 1 98 . 1 1 65 65 GLY N N 15 105.16 0.2 . 1 . . . . 58 GLY N . 26628 1 99 . 1 1 66 66 HIS H H 1 7.715 0.02 . 1 . . . . 59 HIS H . 26628 1 100 . 1 1 66 66 HIS N N 15 118.365 0.2 . 1 . . . . 59 HIS N . 26628 1 101 . 1 1 67 67 SER H H 1 8.783 0.02 . 1 . . . . 60 SER H . 26628 1 102 . 1 1 67 67 SER N N 15 114.187 0.2 . 1 . . . . 60 SER N . 26628 1 103 . 1 1 68 68 LEU H H 1 8.979 0.02 . 1 . . . . 61 LEU H . 26628 1 104 . 1 1 68 68 LEU N N 15 125.587 0.2 . 1 . . . . 61 LEU N . 26628 1 105 . 1 1 69 69 GLY H H 1 9.131 0.02 . 1 . . . . 62 GLY H . 26628 1 106 . 1 1 69 69 GLY N N 15 107.766 0.2 . 1 . . . . 62 GLY N . 26628 1 107 . 1 1 71 71 GLY H H 1 8.519 0.02 . 1 . . . . 64 GLY H . 26628 1 108 . 1 1 71 71 GLY N N 15 104.872 0.2 . 1 . . . . 64 GLY N . 26628 1 109 . 1 1 72 72 PHE H H 1 8.677 0.02 . 1 . . . . 65 PHE H . 26628 1 110 . 1 1 72 72 PHE N N 15 116.216 0.2 . 1 . . . . 65 PHE N . 26628 1 111 . 1 1 74 74 ASN H H 1 8.721 0.02 . 1 . . . . 67 ASN H . 26628 1 112 . 1 1 74 74 ASN N N 15 125.3 0.2 . 1 . . . . 67 ASN N . 26628 1 113 . 1 1 75 75 TYR H H 1 8.534 0.02 . 1 . . . . 68 TYR H . 26628 1 114 . 1 1 75 75 TYR N N 15 125.954 0.2 . 1 . . . . 68 TYR N . 26628 1 115 . 1 1 77 77 THR H H 1 8.928 0.02 . 1 . . . . 70 THR H . 26628 1 116 . 1 1 77 77 THR N N 15 109.744 0.2 . 1 . . . . 70 THR N . 26628 1 117 . 1 1 78 78 ALA H H 1 8.731 0.02 . 1 . . . . 71 ALA H . 26628 1 118 . 1 1 78 78 ALA N N 15 126.873 0.2 . 1 . . . . 71 ALA N . 26628 1 119 . 1 1 80 80 ASP H H 1 7.27 0.02 . 1 . . . . 73 ASP H . 26628 1 120 . 1 1 80 80 ASP N N 15 119.915 0.2 . 1 . . . . 73 ASP N . 26628 1 121 . 1 1 81 81 ALA H H 1 6.948 0.02 . 1 . . . . 74 ALA H . 26628 1 122 . 1 1 81 81 ALA N N 15 122.223 0.2 . 1 . . . . 74 ALA N . 26628 1 123 . 1 1 82 82 GLU H H 1 7.644 0.02 . 1 . . . . 75 GLU H . 26628 1 124 . 1 1 82 82 GLU N N 15 116.825 0.2 . 1 . . . . 75 GLU N . 26628 1 125 . 1 1 83 83 ARG H H 1 7.641 0.02 . 1 . . . . 76 ARG H . 26628 1 126 . 1 1 83 83 ARG N N 15 119.223 0.2 . 1 . . . . 76 ARG N . 26628 1 127 . 1 1 84 84 ALA H H 1 8.096 0.02 . 1 . . . . 77 ALA H . 26628 1 128 . 1 1 84 84 ALA N N 15 124.648 0.2 . 1 . . . . 77 ALA N . 26628 1 129 . 1 1 85 85 ILE H H 1 7.758 0.02 . 1 . . . . 78 ILE H . 26628 1 130 . 1 1 85 85 ILE N N 15 119.237 0.2 . 1 . . . . 78 ILE N . 26628 1 131 . 1 1 86 86 ASN H H 1 7.619 0.02 . 1 . . . . 79 ASN H . 26628 1 132 . 1 1 86 86 ASN N N 15 114.606 0.2 . 1 . . . . 79 ASN N . 26628 1 133 . 1 1 87 87 THR H H 1 8.062 0.02 . 1 . . . . 80 THR H . 26628 1 134 . 1 1 87 87 THR N N 15 112.159 0.2 . 1 . . . . 80 THR N . 26628 1 135 . 1 1 88 88 LEU H H 1 8.583 0.02 . 1 . . . . 81 LEU H . 26628 1 136 . 1 1 88 88 LEU N N 15 119.18 0.2 . 1 . . . . 81 LEU N . 26628 1 137 . 1 1 89 89 ASN H H 1 7.363 0.02 . 1 . . . . 82 ASN H . 26628 1 138 . 1 1 89 89 ASN N N 15 114.926 0.2 . 1 . . . . 82 ASN N . 26628 1 139 . 1 1 90 90 GLY H H 1 8.421 0.02 . 1 . . . . 83 GLY H . 26628 1 140 . 1 1 90 90 GLY N N 15 116.534 0.2 . 1 . . . . 83 GLY N . 26628 1 141 . 1 1 91 91 LEU H H 1 7.38 0.02 . 1 . . . . 84 LEU H . 26628 1 142 . 1 1 91 91 LEU N N 15 123.561 0.2 . 1 . . . . 84 LEU N . 26628 1 143 . 1 1 92 92 ARG H H 1 8.154 0.02 . 1 . . . . 85 ARG H . 26628 1 144 . 1 1 92 92 ARG N N 15 125.958 0.2 . 1 . . . . 85 ARG N . 26628 1 145 . 1 1 93 93 LEU H H 1 8.556 0.02 . 1 . . . . 86 LEU H . 26628 1 146 . 1 1 93 93 LEU N N 15 128.501 0.2 . 1 . . . . 86 LEU N . 26628 1 147 . 1 1 94 94 GLN H H 1 9.035 0.02 . 1 . . . . 87 GLN H . 26628 1 148 . 1 1 94 94 GLN N N 15 120.986 0.2 . 1 . . . . 87 GLN N . 26628 1 149 . 1 1 96 96 LYS H H 1 8.112 0.02 . 1 . . . . 89 LYS H . 26628 1 150 . 1 1 96 96 LYS N N 15 122.155 0.2 . 1 . . . . 89 LYS N . 26628 1 151 . 1 1 97 97 THR H H 1 8.042 0.02 . 1 . . . . 90 THR H . 26628 1 152 . 1 1 97 97 THR N N 15 117.601 0.2 . 1 . . . . 90 THR N . 26628 1 153 . 1 1 98 98 ILE H H 1 8.481 0.02 . 1 . . . . 91 ILE H . 26628 1 154 . 1 1 98 98 ILE N N 15 121.333 0.2 . 1 . . . . 91 ILE N . 26628 1 155 . 1 1 100 100 VAL H H 1 8.702 0.02 . 1 . . . . 93 VAL H . 26628 1 156 . 1 1 100 100 VAL N N 15 126.859 0.2 . 1 . . . . 93 VAL N . 26628 1 157 . 1 1 101 101 SER H H 1 8.502 0.02 . 1 . . . . 94 SER H . 26628 1 158 . 1 1 101 101 SER N N 15 119.033 0.2 . 1 . . . . 94 SER N . 26628 1 159 . 1 1 102 102 TYR H H 1 8.244 0.02 . 1 . . . . 95 TYR H . 26628 1 160 . 1 1 102 102 TYR N N 15 120.684 0.2 . 1 . . . . 95 TYR N . 26628 1 161 . 1 1 103 103 ALA H H 1 8.679 0.02 . 1 . . . . 96 ALA H . 26628 1 162 . 1 1 103 103 ALA N N 15 125.382 0.2 . 1 . . . . 96 ALA N . 26628 1 163 . 1 1 104 104 ARG H H 1 8.714 0.02 . 1 . . . . 97 ARG H . 26628 1 164 . 1 1 104 104 ARG N N 15 121.214 0.2 . 1 . . . . 97 ARG N . 26628 1 165 . 1 1 109 109 VAL H H 1 7.989 0.02 . 1 . . . . 102 VAL H . 26628 1 166 . 1 1 109 109 VAL N N 15 120.017 0.2 . 1 . . . . 102 VAL N . 26628 1 167 . 1 1 110 110 ILE H H 1 7.997 0.02 . 1 . . . . 103 ILE H . 26628 1 168 . 1 1 110 110 ILE N N 15 124.038 0.2 . 1 . . . . 103 ILE N . 26628 1 169 . 1 1 112 112 ASP H H 1 7.903 0.02 . 1 . . . . 105 ASP H . 26628 1 170 . 1 1 112 112 ASP N N 15 121.909 0.2 . 1 . . . . 105 ASP N . 26628 1 171 . 1 1 113 113 ALA H H 1 8.422 0.02 . 1 . . . . 106 ALA H . 26628 1 172 . 1 1 113 113 ALA N N 15 124.841 0.2 . 1 . . . . 106 ALA N . 26628 1 173 . 1 1 114 114 ASN H H 1 8.012 0.02 . 1 . . . . 107 ASN H . 26628 1 174 . 1 1 114 114 ASN N N 15 117.989 0.2 . 1 . . . . 107 ASN N . 26628 1 175 . 1 1 115 115 LEU H H 1 9.544 0.02 . 1 . . . . 108 LEU H . 26628 1 176 . 1 1 115 115 LEU N N 15 125.245 0.2 . 1 . . . . 108 LEU N . 26628 1 177 . 1 1 116 116 TYR H H 1 9.122 0.02 . 1 . . . . 109 TYR H . 26628 1 178 . 1 1 116 116 TYR N N 15 122.633 0.2 . 1 . . . . 109 TYR N . 26628 1 179 . 1 1 117 117 ILE H H 1 8.371 0.02 . 1 . . . . 110 ILE H . 26628 1 180 . 1 1 117 117 ILE N N 15 128.688 0.2 . 1 . . . . 110 ILE N . 26628 1 181 . 1 1 118 118 SER H H 1 8.669 0.02 . 1 . . . . 111 SER H . 26628 1 182 . 1 1 118 118 SER N N 15 117.711 0.2 . 1 . . . . 111 SER N . 26628 1 183 . 1 1 119 119 GLY H H 1 8.075 0.02 . 1 . . . . 112 GLY H . 26628 1 184 . 1 1 119 119 GLY N N 15 108.906 0.2 . 1 . . . . 112 GLY N . 26628 1 185 . 1 1 120 120 LEU H H 1 8.374 0.02 . 1 . . . . 113 LEU H . 26628 1 186 . 1 1 120 120 LEU N N 15 120.167 0.2 . 1 . . . . 113 LEU N . 26628 1 187 . 1 1 122 122 ARG H H 1 9.073 0.02 . 1 . . . . 115 ARG H . 26628 1 188 . 1 1 122 122 ARG N N 15 123.768 0.2 . 1 . . . . 115 ARG N . 26628 1 189 . 1 1 123 123 THR H H 1 7.101 0.02 . 1 . . . . 116 THR H . 26628 1 190 . 1 1 123 123 THR N N 15 103.882 0.2 . 1 . . . . 116 THR N . 26628 1 191 . 1 1 124 124 MET H H 1 7.072 0.02 . 1 . . . . 117 MET H . 26628 1 192 . 1 1 124 124 MET N N 15 119.85 0.2 . 1 . . . . 117 MET N . 26628 1 193 . 1 1 125 125 THR H H 1 9.23 0.02 . 1 . . . . 118 THR H . 26628 1 194 . 1 1 125 125 THR N N 15 116.675 0.2 . 1 . . . . 118 THR N . 26628 1 195 . 1 1 126 126 GLN H H 1 8.926 0.02 . 1 . . . . 119 GLN H . 26628 1 196 . 1 1 126 126 GLN N N 15 120.122 0.2 . 1 . . . . 119 GLN N . 26628 1 197 . 1 1 127 127 LYS H H 1 8.026 0.02 . 1 . . . . 120 LYS H . 26628 1 198 . 1 1 127 127 LYS N N 15 118.95 0.2 . 1 . . . . 120 LYS N . 26628 1 199 . 1 1 128 128 ASP H H 1 7.375 0.02 . 1 . . . . 121 ASP H . 26628 1 200 . 1 1 128 128 ASP N N 15 118.516 0.2 . 1 . . . . 121 ASP N . 26628 1 201 . 1 1 129 129 VAL H H 1 8.149 0.02 . 1 . . . . 122 VAL H . 26628 1 202 . 1 1 129 129 VAL N N 15 121.494 0.2 . 1 . . . . 122 VAL N . 26628 1 203 . 1 1 130 130 GLU H H 1 8.294 0.02 . 1 . . . . 123 GLU H . 26628 1 204 . 1 1 130 130 GLU N N 15 120.335 0.2 . 1 . . . . 123 GLU N . 26628 1 205 . 1 1 131 131 ASP H H 1 8.713 0.02 . 1 . . . . 124 ASP H . 26628 1 206 . 1 1 131 131 ASP N N 15 119.217 0.2 . 1 . . . . 124 ASP N . 26628 1 207 . 1 1 132 132 MET H H 1 7.741 0.02 . 1 . . . . 125 MET H . 26628 1 208 . 1 1 132 132 MET N N 15 119.744 0.2 . 1 . . . . 125 MET N . 26628 1 209 . 1 1 133 133 PHE H H 1 7.872 0.02 . 1 . . . . 126 PHE H . 26628 1 210 . 1 1 133 133 PHE N N 15 113.601 0.2 . 1 . . . . 126 PHE N . 26628 1 211 . 1 1 134 134 SER H H 1 8.426 0.02 . 1 . . . . 127 SER H . 26628 1 212 . 1 1 134 134 SER N N 15 117.74 0.2 . 1 . . . . 127 SER N . 26628 1 213 . 1 1 135 135 ARG H H 1 7.071 0.02 . 1 . . . . 128 ARG H . 26628 1 214 . 1 1 135 135 ARG N N 15 117.607 0.2 . 1 . . . . 128 ARG N . 26628 1 215 . 1 1 136 136 PHE H H 1 7.329 0.02 . 1 . . . . 129 PHE H . 26628 1 216 . 1 1 136 136 PHE N N 15 116.81 0.2 . 1 . . . . 129 PHE N . 26628 1 217 . 1 1 137 137 GLY H H 1 7.344 0.02 . 1 . . . . 130 GLY H . 26628 1 218 . 1 1 137 137 GLY N N 15 104.107 0.2 . 1 . . . . 130 GLY N . 26628 1 219 . 1 1 138 138 ARG H H 1 8.172 0.02 . 1 . . . . 131 ARG H . 26628 1 220 . 1 1 138 138 ARG N N 15 119.561 0.2 . 1 . . . . 131 ARG N . 26628 1 221 . 1 1 139 139 ILE H H 1 8.489 0.02 . 1 . . . . 132 ILE H . 26628 1 222 . 1 1 139 139 ILE N N 15 127.785 0.2 . 1 . . . . 132 ILE N . 26628 1 223 . 1 1 140 140 ILE H H 1 8.898 0.02 . 1 . . . . 133 ILE H . 26628 1 224 . 1 1 140 140 ILE N N 15 127.767 0.2 . 1 . . . . 133 ILE N . 26628 1 225 . 1 1 141 141 ASN H H 1 7.328 0.02 . 1 . . . . 134 ASN H . 26628 1 226 . 1 1 141 141 ASN N N 15 114.424 0.2 . 1 . . . . 134 ASN N . 26628 1 227 . 1 1 142 142 SER H H 1 8.151 0.02 . 1 . . . . 135 SER H . 26628 1 228 . 1 1 142 142 SER N N 15 115.199 0.2 . 1 . . . . 135 SER N . 26628 1 229 . 1 1 143 143 ARG H H 1 8.522 0.02 . 1 . . . . 136 ARG H . 26628 1 230 . 1 1 143 143 ARG N N 15 117.808 0.2 . 1 . . . . 136 ARG N . 26628 1 231 . 1 1 144 144 VAL H H 1 8.599 0.02 . 1 . . . . 137 VAL H . 26628 1 232 . 1 1 144 144 VAL N N 15 123.781 0.2 . 1 . . . . 137 VAL N . 26628 1 233 . 1 1 145 145 LEU H H 1 8.561 0.02 . 1 . . . . 138 LEU H . 26628 1 234 . 1 1 145 145 LEU N N 15 128.424 0.2 . 1 . . . . 138 LEU N . 26628 1 235 . 1 1 146 146 VAL H H 1 8.225 0.02 . 1 . . . . 139 VAL H . 26628 1 236 . 1 1 146 146 VAL N N 15 118.656 0.2 . 1 . . . . 139 VAL N . 26628 1 237 . 1 1 147 147 ASP H H 1 8.592 0.02 . 1 . . . . 140 ASP H . 26628 1 238 . 1 1 147 147 ASP N N 15 125.358 0.2 . 1 . . . . 140 ASP N . 26628 1 239 . 1 1 148 148 GLN H H 1 9.104 0.02 . 1 . . . . 141 GLN H . 26628 1 240 . 1 1 148 148 GLN N N 15 126.828 0.2 . 1 . . . . 141 GLN N . 26628 1 241 . 1 1 149 149 THR H H 1 7.776 0.02 . 1 . . . . 142 THR H . 26628 1 242 . 1 1 149 149 THR N N 15 109.629 0.2 . 1 . . . . 142 THR N . 26628 1 243 . 1 1 150 150 THR H H 1 8.598 0.02 . 1 . . . . 143 THR H . 26628 1 244 . 1 1 150 150 THR N N 15 113.576 0.2 . 1 . . . . 143 THR N . 26628 1 245 . 1 1 154 154 ARG H H 1 8.805 0.02 . 1 . . . . 147 ARG H . 26628 1 246 . 1 1 154 154 ARG N N 15 123.386 0.2 . 1 . . . . 147 ARG N . 26628 1 247 . 1 1 155 155 GLY H H 1 9.515 0.02 . 1 . . . . 148 GLY H . 26628 1 248 . 1 1 155 155 GLY N N 15 109.84 0.2 . 1 . . . . 148 GLY N . 26628 1 249 . 1 1 157 157 ALA H H 1 8.98 0.02 . 1 . . . . 150 ALA H . 26628 1 250 . 1 1 157 157 ALA N N 15 126.54 0.2 . 1 . . . . 150 ALA N . 26628 1 251 . 1 1 158 158 PHE H H 1 8.5 0.02 . 1 . . . . 151 PHE H . 26628 1 252 . 1 1 158 158 PHE N N 15 116.44 0.2 . 1 . . . . 151 PHE N . 26628 1 253 . 1 1 159 159 ILE H H 1 8.104 0.02 . 1 . . . . 152 ILE H . 26628 1 254 . 1 1 159 159 ILE N N 15 120.161 0.2 . 1 . . . . 152 ILE N . 26628 1 255 . 1 1 160 160 ARG H H 1 8.392 0.02 . 1 . . . . 153 ARG H . 26628 1 256 . 1 1 160 160 ARG N N 15 127.373 0.2 . 1 . . . . 153 ARG N . 26628 1 257 . 1 1 161 161 PHE H H 1 8.309 0.02 . 1 . . . . 154 PHE H . 26628 1 258 . 1 1 161 161 PHE N N 15 126.791 0.2 . 1 . . . . 154 PHE N . 26628 1 259 . 1 1 162 162 ASP H H 1 8.667 0.02 . 1 . . . . 155 ASP H . 26628 1 260 . 1 1 162 162 ASP N N 15 120.337 0.2 . 1 . . . . 155 ASP N . 26628 1 261 . 1 1 163 163 LYS H H 1 8.33 0.02 . 1 . . . . 156 LYS H . 26628 1 262 . 1 1 163 163 LYS N N 15 113.33 0.2 . 1 . . . . 156 LYS N . 26628 1 263 . 1 1 164 164 ARG H H 1 8.998 0.02 . 1 . . . . 157 ARG H . 26628 1 264 . 1 1 164 164 ARG N N 15 125.541 0.2 . 1 . . . . 157 ARG N . 26628 1 265 . 1 1 165 165 SER H H 1 8.74 0.02 . 1 . . . . 158 SER H . 26628 1 266 . 1 1 165 165 SER N N 15 121.24 0.2 . 1 . . . . 158 SER N . 26628 1 267 . 1 1 166 166 GLU H H 1 6.788 0.02 . 1 . . . . 159 GLU H . 26628 1 268 . 1 1 166 166 GLU N N 15 124.124 0.2 . 1 . . . . 159 GLU N . 26628 1 269 . 1 1 167 167 ALA H H 1 6.675 0.02 . 1 . . . . 160 ALA H . 26628 1 270 . 1 1 167 167 ALA N N 15 119.58 0.2 . 1 . . . . 160 ALA N . 26628 1 271 . 1 1 168 168 GLU H H 1 8.534 0.02 . 1 . . . . 161 GLU H . 26628 1 272 . 1 1 168 168 GLU N N 15 115.264 0.2 . 1 . . . . 161 GLU N . 26628 1 273 . 1 1 169 169 GLU H H 1 7.371 0.02 . 1 . . . . 162 GLU H . 26628 1 274 . 1 1 169 169 GLU N N 15 120.239 0.2 . 1 . . . . 162 GLU N . 26628 1 275 . 1 1 170 170 ALA H H 1 7.199 0.02 . 1 . . . . 163 ALA H . 26628 1 276 . 1 1 170 170 ALA N N 15 123.104 0.2 . 1 . . . . 163 ALA N . 26628 1 277 . 1 1 171 171 ILE H H 1 7.555 0.02 . 1 . . . . 164 ILE H . 26628 1 278 . 1 1 171 171 ILE N N 15 117.747 0.2 . 1 . . . . 164 ILE N . 26628 1 279 . 1 1 172 172 THR H H 1 8 0.02 . 1 . . . . 165 THR H . 26628 1 280 . 1 1 172 172 THR N N 15 114.816 0.2 . 1 . . . . 165 THR N . 26628 1 281 . 1 1 173 173 SER H H 1 7.91 0.02 . 1 . . . . 166 SER H . 26628 1 282 . 1 1 173 173 SER N N 15 115.162 0.2 . 1 . . . . 166 SER N . 26628 1 283 . 1 1 174 174 PHE H H 1 8.015 0.02 . 1 . . . . 167 PHE H . 26628 1 284 . 1 1 174 174 PHE N N 15 116.912 0.2 . 1 . . . . 167 PHE N . 26628 1 285 . 1 1 175 175 ASN H H 1 8.602 0.02 . 1 . . . . 168 ASN H . 26628 1 286 . 1 1 175 175 ASN N N 15 119.05 0.2 . 1 . . . . 168 ASN N . 26628 1 287 . 1 1 176 176 GLY H H 1 9.275 0.02 . 1 . . . . 169 GLY H . 26628 1 288 . 1 1 176 176 GLY N N 15 118.121 0.2 . 1 . . . . 169 GLY N . 26628 1 289 . 1 1 181 181 GLY H H 1 8.571 0.02 . 1 . . . . 174 GLY H . 26628 1 290 . 1 1 181 181 GLY N N 15 112.633 0.2 . 1 . . . . 174 GLY N . 26628 1 291 . 1 1 182 182 SER H H 1 7.726 0.02 . 1 . . . . 175 SER H . 26628 1 292 . 1 1 182 182 SER N N 15 114.788 0.2 . 1 . . . . 175 SER N . 26628 1 293 . 1 1 184 184 GLU H H 1 7.785 0.02 . 1 . . . . 177 GLU H . 26628 1 294 . 1 1 184 184 GLU N N 15 121.799 0.2 . 1 . . . . 177 GLU N . 26628 1 295 . 1 1 188 188 VAL H H 1 8.6 0.02 . 1 . . . . 181 VAL H . 26628 1 296 . 1 1 188 188 VAL N N 15 124.692 0.2 . 1 . . . . 181 VAL N . 26628 1 297 . 1 1 189 189 LYS H H 1 8.629 0.02 . 1 . . . . 182 LYS H . 26628 1 298 . 1 1 189 189 LYS N N 15 122.588 0.2 . 1 . . . . 182 LYS N . 26628 1 299 . 1 1 190 190 PHE H H 1 8.505 0.02 . 1 . . . . 183 PHE H . 26628 1 300 . 1 1 190 190 PHE N N 15 119.699 0.2 . 1 . . . . 183 PHE N . 26628 1 301 . 1 1 191 191 ALA H H 1 8.71 0.02 . 1 . . . . 184 ALA H . 26628 1 302 . 1 1 191 191 ALA N N 15 125.261 0.2 . 1 . . . . 184 ALA N . 26628 1 303 . 1 1 192 192 ALA H H 1 8.516 0.02 . 1 . . . . 185 ALA H . 26628 1 304 . 1 1 192 192 ALA N N 15 122.982 0.2 . 1 . . . . 185 ALA N . 26628 1 305 . 1 1 193 193 ASN H H 1 7.831 0.02 . 1 . . . . 186 ASN H . 26628 1 306 . 1 1 193 193 ASN N N 15 123.112 0.2 . 1 . . . . 186 ASN N . 26628 1 stop_ save_