data_19686 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19686 _Entry.Title ; ASD-1 RRM domain bound to UGCAUGG RNA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-12-15 _Entry.Accession_date 2013-12-15 _Entry.Last_release_date 2014-08-29 _Entry.Original_release_date 2014-08-29 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'RRM domain from ASD-1 bound to the RNA ligand 5'-UGCAUGG-3'' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Samir Amrane . . . 19686 2 Cameron Mackereth . D. . 19686 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19686 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 185 19686 '15N chemical shifts' 87 19686 '1H chemical shifts' 87 19686 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2014-08-29 2013-12-15 original author . 19686 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19680 ASD-1 19686 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19686 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1038/NCOMMS5595 _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'BACKBONE-INDEPENDENT NUCLEIC ACID BINDING BY SPLICING FACTOR SUP-12 REVEALS KEY ASPECTS OF MOLECULAR RECOGNITION' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2014 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Samir Amrane . . . 19686 1 2 Karine Rebora . . . 19686 1 3 Ilyass Zniber . . . 19686 1 4 Denis Dupuy . . . 19686 1 5 Cameron Mackereth . D. . 19686 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19686 _Assembly.ID 1 _Assembly.Name ASD-1+RNA _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 ASD-1 1 $ASD-1 A . yes native no no . . . 19686 1 2 RNA 2 $UGCAUGG A . no native no no . . . 19686 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ASD-1 _Entity.Sf_category entity _Entity.Sf_framecode ASD-1 _Entity.Entry_ID 19686 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ASD-1 _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 ; GAMGPVAPNDRSTSSSSTDG PRRLHVSNIPFKYREPDLTA MFEKVGPVVDVEIIFNERGS KGFGFVTMQNPDDADRARAE FNGTTIEGRRVEVNLATQR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'The sequence represents residues 82 to 177 of C. elegans ASD-1' _Entity.Polymer_author_seq_details 'The N-terminal Gly-Ala-Met remains following removal of the His6-tag by TEV potease' _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 99 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'RRM domain' _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 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP G5EEW7 . ASD-1 . . . . . . . . . . . . . . 19686 1 2 no BMRB 19609 . entity_1 . . . . . 81.82 94 100.00 100.00 6.23e-51 . . . . 19686 1 3 no BMRB 19680 . ASD-1 . . . . . 100.00 99 100.00 100.00 2.81e-64 . . . . 19686 1 4 no PDB 2MGZ . "Solution Structure Of Rbfox Family Asd-1 Rrm And Sup-12 Rrm In Ternary Complex With Rna" . . . . . 81.82 94 100.00 100.00 6.23e-51 . . . . 19686 1 5 no EMBL CAA85276 . "Uncharacterized protein CELE_R74.5 [Caenorhabditis elegans]" . . . . . 97.98 404 98.97 100.00 2.34e-57 . . . . 19686 1 6 no EMBL CAD82915 . "Uncharacterized protein CELE_R74.5 [Caenorhabditis elegans]" . . . . . 59.60 286 100.00 100.00 1.06e-33 . . . . 19686 1 7 no EMBL CCU83325 . "Uncharacterized protein CELE_R74.5 [Caenorhabditis elegans]" . . . . . 97.98 379 98.97 100.00 3.08e-57 . . . . 19686 1 8 no GB ABF22491 . "RNA-binding protein ASD-1 [Caenorhabditis elegans]" . . . . . 97.98 404 98.97 100.00 2.34e-57 . . . . 19686 1 9 no REF NP_001293646 . "Uncharacterized protein CELE_R74.5 [Caenorhabditis elegans]" . . . . . 97.98 379 98.97 100.00 3.08e-57 . . . . 19686 1 10 no REF NP_497841 . "Uncharacterized protein CELE_R74.5 [Caenorhabditis elegans]" . . . . . 97.98 404 98.97 100.00 2.34e-57 . . . . 19686 1 11 no REF NP_871667 . "Uncharacterized protein CELE_R74.5 [Caenorhabditis elegans]" . . . . . 59.60 286 100.00 100.00 1.06e-33 . . . . 19686 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Alternative splicing factor' 19686 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 79 GLY . 19686 1 2 80 ALA . 19686 1 3 81 MET . 19686 1 4 82 GLY . 19686 1 5 83 PRO . 19686 1 6 84 VAL . 19686 1 7 85 ALA . 19686 1 8 86 PRO . 19686 1 9 87 ASN . 19686 1 10 88 ASP . 19686 1 11 89 ARG . 19686 1 12 90 SER . 19686 1 13 91 THR . 19686 1 14 92 SER . 19686 1 15 93 SER . 19686 1 16 94 SER . 19686 1 17 95 SER . 19686 1 18 96 THR . 19686 1 19 97 ASP . 19686 1 20 98 GLY . 19686 1 21 99 PRO . 19686 1 22 100 ARG . 19686 1 23 101 ARG . 19686 1 24 102 LEU . 19686 1 25 103 HIS . 19686 1 26 104 VAL . 19686 1 27 105 SER . 19686 1 28 106 ASN . 19686 1 29 107 ILE . 19686 1 30 108 PRO . 19686 1 31 109 PHE . 19686 1 32 110 LYS . 19686 1 33 111 TYR . 19686 1 34 112 ARG . 19686 1 35 113 GLU . 19686 1 36 114 PRO . 19686 1 37 115 ASP . 19686 1 38 116 LEU . 19686 1 39 117 THR . 19686 1 40 118 ALA . 19686 1 41 119 MET . 19686 1 42 120 PHE . 19686 1 43 121 GLU . 19686 1 44 122 LYS . 19686 1 45 123 VAL . 19686 1 46 124 GLY . 19686 1 47 125 PRO . 19686 1 48 126 VAL . 19686 1 49 127 VAL . 19686 1 50 128 ASP . 19686 1 51 129 VAL . 19686 1 52 130 GLU . 19686 1 53 131 ILE . 19686 1 54 132 ILE . 19686 1 55 133 PHE . 19686 1 56 134 ASN . 19686 1 57 135 GLU . 19686 1 58 136 ARG . 19686 1 59 137 GLY . 19686 1 60 138 SER . 19686 1 61 139 LYS . 19686 1 62 140 GLY . 19686 1 63 141 PHE . 19686 1 64 142 GLY . 19686 1 65 143 PHE . 19686 1 66 144 VAL . 19686 1 67 145 THR . 19686 1 68 146 MET . 19686 1 69 147 GLN . 19686 1 70 148 ASN . 19686 1 71 149 PRO . 19686 1 72 150 ASP . 19686 1 73 151 ASP . 19686 1 74 152 ALA . 19686 1 75 153 ASP . 19686 1 76 154 ARG . 19686 1 77 155 ALA . 19686 1 78 156 ARG . 19686 1 79 157 ALA . 19686 1 80 158 GLU . 19686 1 81 159 PHE . 19686 1 82 160 ASN . 19686 1 83 161 GLY . 19686 1 84 162 THR . 19686 1 85 163 THR . 19686 1 86 164 ILE . 19686 1 87 165 GLU . 19686 1 88 166 GLY . 19686 1 89 167 ARG . 19686 1 90 168 ARG . 19686 1 91 169 VAL . 19686 1 92 170 GLU . 19686 1 93 171 VAL . 19686 1 94 172 ASN . 19686 1 95 173 LEU . 19686 1 96 174 ALA . 19686 1 97 175 THR . 19686 1 98 176 GLN . 19686 1 99 177 ARG . 19686 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 . GLY 1 1 19686 1 . ALA 2 2 19686 1 . MET 3 3 19686 1 . GLY 4 4 19686 1 . PRO 5 5 19686 1 . VAL 6 6 19686 1 . ALA 7 7 19686 1 . PRO 8 8 19686 1 . ASN 9 9 19686 1 . ASP 10 10 19686 1 . ARG 11 11 19686 1 . SER 12 12 19686 1 . THR 13 13 19686 1 . SER 14 14 19686 1 . SER 15 15 19686 1 . SER 16 16 19686 1 . SER 17 17 19686 1 . THR 18 18 19686 1 . ASP 19 19 19686 1 . GLY 20 20 19686 1 . PRO 21 21 19686 1 . ARG 22 22 19686 1 . ARG 23 23 19686 1 . LEU 24 24 19686 1 . HIS 25 25 19686 1 . VAL 26 26 19686 1 . SER 27 27 19686 1 . ASN 28 28 19686 1 . ILE 29 29 19686 1 . PRO 30 30 19686 1 . PHE 31 31 19686 1 . LYS 32 32 19686 1 . TYR 33 33 19686 1 . ARG 34 34 19686 1 . GLU 35 35 19686 1 . PRO 36 36 19686 1 . ASP 37 37 19686 1 . LEU 38 38 19686 1 . THR 39 39 19686 1 . ALA 40 40 19686 1 . MET 41 41 19686 1 . PHE 42 42 19686 1 . GLU 43 43 19686 1 . LYS 44 44 19686 1 . VAL 45 45 19686 1 . GLY 46 46 19686 1 . PRO 47 47 19686 1 . VAL 48 48 19686 1 . VAL 49 49 19686 1 . ASP 50 50 19686 1 . VAL 51 51 19686 1 . GLU 52 52 19686 1 . ILE 53 53 19686 1 . ILE 54 54 19686 1 . PHE 55 55 19686 1 . ASN 56 56 19686 1 . GLU 57 57 19686 1 . ARG 58 58 19686 1 . GLY 59 59 19686 1 . SER 60 60 19686 1 . LYS 61 61 19686 1 . GLY 62 62 19686 1 . PHE 63 63 19686 1 . GLY 64 64 19686 1 . PHE 65 65 19686 1 . VAL 66 66 19686 1 . THR 67 67 19686 1 . MET 68 68 19686 1 . GLN 69 69 19686 1 . ASN 70 70 19686 1 . PRO 71 71 19686 1 . ASP 72 72 19686 1 . ASP 73 73 19686 1 . ALA 74 74 19686 1 . ASP 75 75 19686 1 . ARG 76 76 19686 1 . ALA 77 77 19686 1 . ARG 78 78 19686 1 . ALA 79 79 19686 1 . GLU 80 80 19686 1 . PHE 81 81 19686 1 . ASN 82 82 19686 1 . GLY 83 83 19686 1 . THR 84 84 19686 1 . THR 85 85 19686 1 . ILE 86 86 19686 1 . GLU 87 87 19686 1 . GLY 88 88 19686 1 . ARG 89 89 19686 1 . ARG 90 90 19686 1 . VAL 91 91 19686 1 . GLU 92 92 19686 1 . VAL 93 93 19686 1 . ASN 94 94 19686 1 . LEU 95 95 19686 1 . ALA 96 96 19686 1 . THR 97 97 19686 1 . GLN 98 98 19686 1 . ARG 99 99 19686 1 stop_ save_ save_UGCAUGG _Entity.Sf_category entity _Entity.Sf_framecode UGCAUGG _Entity.Entry_ID 19686 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name UGCAUGG _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code UGCAUGG _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 7 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'ASD-1 binding motif from the egl-15 pre-mRNA, located within the intron between exons 4 and 5B.' _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_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP . . . . . . . . . . . . . . . . . 19686 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 U . 19686 2 2 2 G . 19686 2 3 3 C . 19686 2 4 4 A . 19686 2 5 5 U . 19686 2 6 6 G . 19686 2 7 7 G . 19686 2 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 . U 1 1 19686 2 . G 2 2 19686 2 . C 3 3 19686 2 . A 4 4 19686 2 . U 5 5 19686 2 . G 6 6 19686 2 . G 7 7 19686 2 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 19686 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $ASD-1 . 6239 organism . 'Caenorhabditis elegans' nematodes . . Eukaryota Metazoa Caenorhabditis elegans . . . . . . . . . . . . . . . . . . . . . 19686 1 2 2 $UGCAUGG . 6239 organism . 'Caenorhabditis elegans' nematodes . . Eukaryota Metazoa Caenorhabditis elegans . . . . . . . . . . . . . . . . . . . . . 19686 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 19686 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $ASD-1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 pLysY . . . . . . . . . . . . . . pETHis1a . . . . . . 19686 1 2 2 $UGCAUGG . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 19686 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19686 _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 ASD-1 '[U-99% 13C; U-99% 15N]' . . 1 $ASD-1 . . 0.2 . . mM . . . . 19686 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19686 1 3 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 19686 1 4 D2O [U-2H] . . . . . . 10 . . % . . . . 19686 1 5 UGCAUGG 'natural abundance' . . 2 $UGCAUGG . . 0.25 . . mM . . . . 19686 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19686 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 19686 _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' 320 . mM 19686 1 pH 6.5 . pH 19686 1 pressure 1 . atm 19686 1 temperature 298 . K 19686 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19686 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19686 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19686 1 processing 19686 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19686 _Software.ID 2 _Software.Name NMRPipe _Software.Version 2007 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19686 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19686 2 processing 19686 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19686 _Software.ID 3 _Software.Name SPARKY _Software.Version 3.113 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 19686 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19686 3 'data analysis' 19686 3 'peak picking' 19686 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 19686 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details '5 mm PATXI 1H-13C/15N/D Z-GRD' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 19686 _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 . 700 '5 mm PATXI 1H-13C/15N/D Z-GRD' . . 19686 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 19686 _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 . . . . . . . . . . . . . . . . 19686 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19686 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 19686 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 external indirect 0.251449530 . . . . . . . . . 19686 1 H 1 water protons . . . . ppm 4.802 internal direct 1.000000000 . . . . . . . . . 19686 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . . . . . . . 19686 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 19686 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 19686 1 2 '3D HNCACB' . . . 19686 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 2 2 ALA CA C 13 53.068 0.2 . 1 . . . . 80 ALA CA . 19686 1 2 . 1 1 2 2 ALA CB C 13 19.908 0.2 . 1 . . . . 80 ALA CB . 19686 1 3 . 1 1 3 3 MET H H 1 8.524 0.02 . 1 . . . . 81 MET HN . 19686 1 4 . 1 1 3 3 MET CA C 13 55.789 0.2 . 1 . . . . 81 MET CA . 19686 1 5 . 1 1 3 3 MET CB C 13 33.37 0.2 . 1 . . . . 81 MET CB . 19686 1 6 . 1 1 3 3 MET N N 15 119.473 0.2 . 1 . . . . 81 MET N . 19686 1 7 . 1 1 4 4 GLY H H 1 8.207 0.02 . 1 . . . . 82 GLY HN . 19686 1 8 . 1 1 4 4 GLY CA C 13 44.894 0.2 . 1 . . . . 82 GLY CA . 19686 1 9 . 1 1 4 4 GLY N N 15 110.106 0.2 . 1 . . . . 82 GLY N . 19686 1 10 . 1 1 5 5 PRO CA C 13 63.594 0.2 . 1 . . . . 83 PRO CA . 19686 1 11 . 1 1 5 5 PRO CB C 13 32.747 0.2 . 1 . . . . 83 PRO CB . 19686 1 12 . 1 1 6 6 VAL H H 1 8.246 0.02 . 1 . . . . 84 VAL HN . 19686 1 13 . 1 1 6 6 VAL CA C 13 62.686 0.2 . 1 . . . . 84 VAL CA . 19686 1 14 . 1 1 6 6 VAL CB C 13 33.461 0.2 . 1 . . . . 84 VAL CB . 19686 1 15 . 1 1 6 6 VAL N N 15 120.452 0.2 . 1 . . . . 84 VAL N . 19686 1 16 . 1 1 7 7 ALA H H 1 8.484 0.02 . 1 . . . . 85 ALA HN . 19686 1 17 . 1 1 7 7 ALA CA C 13 50.784 0.2 . 1 . . . . 85 ALA CA . 19686 1 18 . 1 1 7 7 ALA CB C 13 18.864 0.2 . 1 . . . . 85 ALA CB . 19686 1 19 . 1 1 7 7 ALA N N 15 129.346 0.2 . 1 . . . . 85 ALA N . 19686 1 20 . 1 1 8 8 PRO CA C 13 63.806 0.2 . 1 . . . . 86 PRO CA . 19686 1 21 . 1 1 8 8 PRO CB C 13 32.479 0.2 . 1 . . . . 86 PRO CB . 19686 1 22 . 1 1 9 9 ASN H H 1 8.481 0.02 . 1 . . . . 87 ASN HN . 19686 1 23 . 1 1 9 9 ASN CA C 13 53.843 0.2 . 1 . . . . 87 ASN CA . 19686 1 24 . 1 1 9 9 ASN CB C 13 39.273 0.2 . 1 . . . . 87 ASN CB . 19686 1 25 . 1 1 9 9 ASN N N 15 117.723 0.2 . 1 . . . . 87 ASN N . 19686 1 26 . 1 1 10 10 ASP H H 1 8.244 0.02 . 1 . . . . 88 ASP HN . 19686 1 27 . 1 1 10 10 ASP CA C 13 54.904 0.2 . 1 . . . . 88 ASP CA . 19686 1 28 . 1 1 10 10 ASP CB C 13 41.646 0.2 . 1 . . . . 88 ASP CB . 19686 1 29 . 1 1 10 10 ASP N N 15 120.458 0.2 . 1 . . . . 88 ASP N . 19686 1 30 . 1 1 11 11 ARG H H 1 8.295 0.02 . 1 . . . . 89 ARG HN . 19686 1 31 . 1 1 11 11 ARG CA C 13 56.663 0.2 . 1 . . . . 89 ARG CA . 19686 1 32 . 1 1 11 11 ARG CB C 13 30.923 0.2 . 1 . . . . 89 ARG CB . 19686 1 33 . 1 1 11 11 ARG N N 15 120.939 0.2 . 1 . . . . 89 ARG N . 19686 1 34 . 1 1 12 12 SER H H 1 8.438 0.02 . 1 . . . . 90 SER HN . 19686 1 35 . 1 1 12 12 SER CA C 13 59.416 0.2 . 1 . . . . 90 SER CA . 19686 1 36 . 1 1 12 12 SER CB C 13 64.211 0.2 . 1 . . . . 90 SER CB . 19686 1 37 . 1 1 12 12 SER N N 15 116.519 0.2 . 1 . . . . 90 SER N . 19686 1 38 . 1 1 13 13 THR H H 1 8.194 0.02 . 1 . . . . 91 THR HN . 19686 1 39 . 1 1 13 13 THR CA C 13 62.213 0.2 . 1 . . . . 91 THR CA . 19686 1 40 . 1 1 13 13 THR CB C 13 69.952 0.2 . 1 . . . . 91 THR CB . 19686 1 41 . 1 1 13 13 THR N N 15 114.993 0.2 . 1 . . . . 91 THR N . 19686 1 42 . 1 1 15 15 SER CA C 13 58.842 0.2 . 1 . . . . 93 SER CA . 19686 1 43 . 1 1 15 15 SER CB C 13 64.475 0.2 . 1 . . . . 93 SER CB . 19686 1 44 . 1 1 16 16 SER H H 1 8.32 0.02 . 1 . . . . 94 SER HN . 19686 1 45 . 1 1 16 16 SER CA C 13 58.886 0.2 . 1 . . . . 94 SER CA . 19686 1 46 . 1 1 16 16 SER CB C 13 64.306 0.2 . 1 . . . . 94 SER CB . 19686 1 47 . 1 1 16 16 SER N N 15 117.755 0.2 . 1 . . . . 94 SER N . 19686 1 48 . 1 1 17 17 SER H H 1 8.431 0.02 . 1 . . . . 95 SER HN . 19686 1 49 . 1 1 17 17 SER CA C 13 58.972 0.2 . 1 . . . . 95 SER CA . 19686 1 50 . 1 1 17 17 SER CB C 13 64.253 0.2 . 1 . . . . 95 SER CB . 19686 1 51 . 1 1 17 17 SER N N 15 117.66 0.2 . 1 . . . . 95 SER N . 19686 1 52 . 1 1 18 18 THR H H 1 8.249 0.02 . 1 . . . . 96 THR HN . 19686 1 53 . 1 1 18 18 THR CA C 13 62.464 0.2 . 1 . . . . 96 THR CA . 19686 1 54 . 1 1 18 18 THR CB C 13 69.87 0.2 . 1 . . . . 96 THR CB . 19686 1 55 . 1 1 18 18 THR N N 15 114.692 0.2 . 1 . . . . 96 THR N . 19686 1 56 . 1 1 19 19 ASP H H 1 8.286 0.02 . 1 . . . . 97 ASP HN . 19686 1 57 . 1 1 19 19 ASP CA C 13 54.978 0.2 . 1 . . . . 97 ASP CA . 19686 1 58 . 1 1 19 19 ASP CB C 13 41.959 0.2 . 1 . . . . 97 ASP CB . 19686 1 59 . 1 1 19 19 ASP N N 15 122.185 0.2 . 1 . . . . 97 ASP N . 19686 1 60 . 1 1 20 20 GLY H H 1 8.13 0.02 . 1 . . . . 98 GLY HN . 19686 1 61 . 1 1 20 20 GLY CA C 13 45.518 0.2 . 1 . . . . 98 GLY CA . 19686 1 62 . 1 1 20 20 GLY N N 15 108.637 0.2 . 1 . . . . 98 GLY N . 19686 1 63 . 1 1 21 21 PRO CA C 13 63.882 0.2 . 1 . . . . 99 PRO CA . 19686 1 64 . 1 1 21 21 PRO CB C 13 32.723 0.2 . 1 . . . . 99 PRO CB . 19686 1 65 . 1 1 22 22 ARG H H 1 8.293 0.02 . 1 . . . . 100 ARG HN . 19686 1 66 . 1 1 22 22 ARG CA C 13 55.793 0.2 . 1 . . . . 100 ARG CA . 19686 1 67 . 1 1 22 22 ARG CB C 13 32.877 0.2 . 1 . . . . 100 ARG CB . 19686 1 68 . 1 1 22 22 ARG N N 15 117.992 0.2 . 1 . . . . 100 ARG N . 19686 1 69 . 1 1 23 23 ARG H H 1 8.204 0.02 . 1 . . . . 101 ARG HN . 19686 1 70 . 1 1 23 23 ARG CA C 13 55.633 0.2 . 1 . . . . 101 ARG CA . 19686 1 71 . 1 1 23 23 ARG CB C 13 32.811 0.2 . 1 . . . . 101 ARG CB . 19686 1 72 . 1 1 23 23 ARG N N 15 123.794 0.2 . 1 . . . . 101 ARG N . 19686 1 73 . 1 1 24 24 LEU H H 1 9.705 0.02 . 1 . . . . 102 LEU HN . 19686 1 74 . 1 1 24 24 LEU CA C 13 53.934 0.2 . 1 . . . . 102 LEU CA . 19686 1 75 . 1 1 24 24 LEU CB C 13 44.776 0.2 . 1 . . . . 102 LEU CB . 19686 1 76 . 1 1 24 24 LEU N N 15 127.34 0.2 . 1 . . . . 102 LEU N . 19686 1 77 . 1 1 25 25 HIS H H 1 9.222 0.02 . 1 . . . . 103 HIS HN . 19686 1 78 . 1 1 25 25 HIS CA C 13 55.282 0.2 . 1 . . . . 103 HIS CA . 19686 1 79 . 1 1 25 25 HIS CB C 13 35.267 0.2 . 1 . . . . 103 HIS CB . 19686 1 80 . 1 1 25 25 HIS N N 15 123.852 0.2 . 1 . . . . 103 HIS N . 19686 1 81 . 1 1 26 26 VAL H H 1 8.344 0.02 . 1 . . . . 104 VAL HN . 19686 1 82 . 1 1 26 26 VAL CA C 13 60.091 0.2 . 1 . . . . 104 VAL CA . 19686 1 83 . 1 1 26 26 VAL CB C 13 33.576 0.2 . 1 . . . . 104 VAL CB . 19686 1 84 . 1 1 26 26 VAL N N 15 126.612 0.2 . 1 . . . . 104 VAL N . 19686 1 85 . 1 1 27 27 SER H H 1 9.038 0.02 . 1 . . . . 105 SER HN . 19686 1 86 . 1 1 27 27 SER CA C 13 56.27 0.2 . 1 . . . . 105 SER CA . 19686 1 87 . 1 1 27 27 SER CB C 13 65.229 0.2 . 1 . . . . 105 SER CB . 19686 1 88 . 1 1 27 27 SER N N 15 117.825 0.2 . 1 . . . . 105 SER N . 19686 1 89 . 1 1 28 28 ASN H H 1 7.603 0.02 . 1 . . . . 106 ASN HN . 19686 1 90 . 1 1 28 28 ASN CA C 13 54.768 0.2 . 1 . . . . 106 ASN CA . 19686 1 91 . 1 1 28 28 ASN CB C 13 38.311 0.2 . 1 . . . . 106 ASN CB . 19686 1 92 . 1 1 28 28 ASN N N 15 119.365 0.2 . 1 . . . . 106 ASN N . 19686 1 93 . 1 1 29 29 ILE H H 1 7.236 0.02 . 1 . . . . 107 ILE HN . 19686 1 94 . 1 1 29 29 ILE CA C 13 59.839 0.2 . 1 . . . . 107 ILE CA . 19686 1 95 . 1 1 29 29 ILE CB C 13 36.993 0.2 . 1 . . . . 107 ILE CB . 19686 1 96 . 1 1 29 29 ILE N N 15 107.026 0.2 . 1 . . . . 107 ILE N . 19686 1 97 . 1 1 30 30 PRO CA C 13 63.808 0.2 . 1 . . . . 108 PRO CA . 19686 1 98 . 1 1 30 30 PRO CB C 13 32.832 0.2 . 1 . . . . 108 PRO CB . 19686 1 99 . 1 1 31 31 PHE H H 1 9.253 0.02 . 1 . . . . 109 PHE HN . 19686 1 100 . 1 1 31 31 PHE CA C 13 57.785 0.2 . 1 . . . . 109 PHE CA . 19686 1 101 . 1 1 31 31 PHE CB C 13 37.677 0.2 . 1 . . . . 109 PHE CB . 19686 1 102 . 1 1 31 31 PHE N N 15 128.361 0.2 . 1 . . . . 109 PHE N . 19686 1 103 . 1 1 32 32 LYS H H 1 8.456 0.02 . 1 . . . . 110 LYS HN . 19686 1 104 . 1 1 32 32 LYS CA C 13 57.717 0.2 . 1 . . . . 110 LYS CA . 19686 1 105 . 1 1 32 32 LYS CB C 13 32.865 0.2 . 1 . . . . 110 LYS CB . 19686 1 106 . 1 1 32 32 LYS N N 15 112.319 0.2 . 1 . . . . 110 LYS N . 19686 1 107 . 1 1 33 33 TYR H H 1 7.706 0.02 . 1 . . . . 111 TYR HN . 19686 1 108 . 1 1 33 33 TYR CA C 13 58.87 0.2 . 1 . . . . 111 TYR CA . 19686 1 109 . 1 1 33 33 TYR CB C 13 37.749 0.2 . 1 . . . . 111 TYR CB . 19686 1 110 . 1 1 33 33 TYR N N 15 120.059 0.2 . 1 . . . . 111 TYR N . 19686 1 111 . 1 1 34 34 ARG H H 1 9.904 0.02 . 1 . . . . 112 ARG HN . 19686 1 112 . 1 1 34 34 ARG CA C 13 52.887 0.2 . 1 . . . . 112 ARG CA . 19686 1 113 . 1 1 34 34 ARG CB C 13 33.743 0.2 . 1 . . . . 112 ARG CB . 19686 1 114 . 1 1 34 34 ARG N N 15 124.024 0.2 . 1 . . . . 112 ARG N . 19686 1 115 . 1 1 35 35 GLU H H 1 10.48 0.02 . 1 . . . . 113 GLU HN . 19686 1 116 . 1 1 35 35 GLU CA C 13 63.93 0.2 . 1 . . . . 113 GLU CA . 19686 1 117 . 1 1 35 35 GLU CB C 13 26.805 0.2 . 1 . . . . 113 GLU CB . 19686 1 118 . 1 1 35 35 GLU N N 15 122.605 0.2 . 1 . . . . 113 GLU N . 19686 1 119 . 1 1 36 36 PRO CA C 13 66.512 0.2 . 1 . . . . 114 PRO CA . 19686 1 120 . 1 1 36 36 PRO CB C 13 31.675 0.2 . 1 . . . . 114 PRO CB . 19686 1 121 . 1 1 37 37 ASP H H 1 7.321 0.02 . 1 . . . . 115 ASP HN . 19686 1 122 . 1 1 37 37 ASP CA C 13 57.166 0.2 . 1 . . . . 115 ASP CA . 19686 1 123 . 1 1 37 37 ASP CB C 13 41.07 0.2 . 1 . . . . 115 ASP CB . 19686 1 124 . 1 1 37 37 ASP N N 15 115.036 0.2 . 1 . . . . 115 ASP N . 19686 1 125 . 1 1 38 38 LEU H H 1 7.363 0.02 . 1 . . . . 116 LEU HN . 19686 1 126 . 1 1 38 38 LEU CA C 13 57.535 0.2 . 1 . . . . 116 LEU CA . 19686 1 127 . 1 1 38 38 LEU CB C 13 43.18 0.2 . 1 . . . . 116 LEU CB . 19686 1 128 . 1 1 38 38 LEU N N 15 118.68 0.2 . 1 . . . . 116 LEU N . 19686 1 129 . 1 1 39 39 THR H H 1 8.581 0.02 . 1 . . . . 117 THR HN . 19686 1 130 . 1 1 39 39 THR CA C 13 68.673 0.2 . 1 . . . . 117 THR CA . 19686 1 131 . 1 1 39 39 THR N N 15 116.623 0.2 . 1 . . . . 117 THR N . 19686 1 132 . 1 1 40 40 ALA H H 1 7.707 0.02 . 1 . . . . 118 ALA HN . 19686 1 133 . 1 1 40 40 ALA CA C 13 55.455 0.2 . 1 . . . . 118 ALA CA . 19686 1 134 . 1 1 40 40 ALA CB C 13 18.633 0.2 . 1 . . . . 118 ALA CB . 19686 1 135 . 1 1 40 40 ALA N N 15 120.127 0.2 . 1 . . . . 118 ALA N . 19686 1 136 . 1 1 41 41 MET H H 1 7.202 0.02 . 1 . . . . 119 MET HN . 19686 1 137 . 1 1 41 41 MET CA C 13 59.221 0.2 . 1 . . . . 119 MET CA . 19686 1 138 . 1 1 41 41 MET CB C 13 33.297 0.2 . 1 . . . . 119 MET CB . 19686 1 139 . 1 1 41 41 MET N N 15 115.125 0.2 . 1 . . . . 119 MET N . 19686 1 140 . 1 1 42 42 PHE H H 1 7.944 0.02 . 1 . . . . 120 PHE HN . 19686 1 141 . 1 1 42 42 PHE CA C 13 63.13 0.2 . 1 . . . . 120 PHE CA . 19686 1 142 . 1 1 42 42 PHE CB C 13 39.93 0.2 . 1 . . . . 120 PHE CB . 19686 1 143 . 1 1 42 42 PHE N N 15 114.414 0.2 . 1 . . . . 120 PHE N . 19686 1 144 . 1 1 43 43 GLU H H 1 8.828 0.02 . 1 . . . . 121 GLU HN . 19686 1 145 . 1 1 43 43 GLU CA C 13 58.627 0.2 . 1 . . . . 121 GLU CA . 19686 1 146 . 1 1 43 43 GLU CB C 13 29.565 0.2 . 1 . . . . 121 GLU CB . 19686 1 147 . 1 1 43 43 GLU N N 15 120.497 0.2 . 1 . . . . 121 GLU N . 19686 1 148 . 1 1 44 44 LYS H H 1 7.091 0.02 . 1 . . . . 122 LYS HN . 19686 1 149 . 1 1 44 44 LYS CA C 13 59.001 0.2 . 1 . . . . 122 LYS CA . 19686 1 150 . 1 1 44 44 LYS CB C 13 33.1 0.2 . 1 . . . . 122 LYS CB . 19686 1 151 . 1 1 44 44 LYS N N 15 116.784 0.2 . 1 . . . . 122 LYS N . 19686 1 152 . 1 1 45 45 VAL H H 1 7.973 0.02 . 1 . . . . 123 VAL HN . 19686 1 153 . 1 1 45 45 VAL CA C 13 64.748 0.2 . 1 . . . . 123 VAL CA . 19686 1 154 . 1 1 45 45 VAL CB C 13 32.967 0.2 . 1 . . . . 123 VAL CB . 19686 1 155 . 1 1 45 45 VAL N N 15 117.826 0.2 . 1 . . . . 123 VAL N . 19686 1 156 . 1 1 46 46 GLY H H 1 7.867 0.02 . 1 . . . . 124 GLY HN . 19686 1 157 . 1 1 46 46 GLY CA C 13 46.203 0.2 . 1 . . . . 124 GLY CA . 19686 1 158 . 1 1 46 46 GLY N N 15 106.431 0.2 . 1 . . . . 124 GLY N . 19686 1 159 . 1 1 47 47 PRO CA C 13 63.93 0.2 . 1 . . . . 125 PRO CA . 19686 1 160 . 1 1 47 47 PRO CB C 13 32.413 0.2 . 1 . . . . 125 PRO CB . 19686 1 161 . 1 1 48 48 VAL H H 1 9.019 0.02 . 1 . . . . 126 VAL HN . 19686 1 162 . 1 1 48 48 VAL CA C 13 62.285 0.2 . 1 . . . . 126 VAL CA . 19686 1 163 . 1 1 48 48 VAL CB C 13 35.426 0.2 . 1 . . . . 126 VAL CB . 19686 1 164 . 1 1 48 48 VAL N N 15 124.806 0.2 . 1 . . . . 126 VAL N . 19686 1 165 . 1 1 49 49 VAL H H 1 8.938 0.02 . 1 . . . . 127 VAL HN . 19686 1 166 . 1 1 49 49 VAL CA C 13 63.07 0.2 . 1 . . . . 127 VAL CA . 19686 1 167 . 1 1 49 49 VAL CB C 13 33.787 0.2 . 1 . . . . 127 VAL CB . 19686 1 168 . 1 1 49 49 VAL N N 15 122.857 0.2 . 1 . . . . 127 VAL N . 19686 1 169 . 1 1 50 50 ASP H H 1 7.558 0.02 . 1 . . . . 128 ASP HN . 19686 1 170 . 1 1 50 50 ASP CA C 13 55.203 0.2 . 1 . . . . 128 ASP CA . 19686 1 171 . 1 1 50 50 ASP CB C 13 45.281 0.2 . 1 . . . . 128 ASP CB . 19686 1 172 . 1 1 50 50 ASP N N 15 116.938 0.2 . 1 . . . . 128 ASP N . 19686 1 173 . 1 1 51 51 VAL H H 1 8.069 0.02 . 1 . . . . 129 VAL HN . 19686 1 174 . 1 1 51 51 VAL CA C 13 61.316 0.2 . 1 . . . . 129 VAL CA . 19686 1 175 . 1 1 51 51 VAL CB C 13 36.133 0.2 . 1 . . . . 129 VAL CB . 19686 1 176 . 1 1 51 51 VAL N N 15 118.631 0.2 . 1 . . . . 129 VAL N . 19686 1 177 . 1 1 52 52 GLU H H 1 8.962 0.02 . 1 . . . . 130 GLU HN . 19686 1 178 . 1 1 52 52 GLU CA C 13 56.365 0.2 . 1 . . . . 130 GLU CA . 19686 1 179 . 1 1 52 52 GLU CB C 13 35.004 0.2 . 1 . . . . 130 GLU CB . 19686 1 180 . 1 1 52 52 GLU N N 15 125.677 0.2 . 1 . . . . 130 GLU N . 19686 1 181 . 1 1 53 53 ILE CA C 13 60.107 0.2 . 1 . . . . 131 ILE CA . 19686 1 182 . 1 1 53 53 ILE CB C 13 38.789 0.2 . 1 . . . . 131 ILE CB . 19686 1 183 . 1 1 54 54 ILE H H 1 7.283 0.02 . 1 . . . . 132 ILE HN . 19686 1 184 . 1 1 54 54 ILE CA C 13 58.271 0.2 . 1 . . . . 132 ILE CA . 19686 1 185 . 1 1 54 54 ILE CB C 13 34.272 0.2 . 1 . . . . 132 ILE CB . 19686 1 186 . 1 1 54 54 ILE N N 15 125.36 0.2 . 1 . . . . 132 ILE N . 19686 1 187 . 1 1 55 55 PHE H H 1 8.63 0.02 . 1 . . . . 133 PHE HN . 19686 1 188 . 1 1 55 55 PHE CA C 13 56.737 0.2 . 1 . . . . 133 PHE CA . 19686 1 189 . 1 1 55 55 PHE CB C 13 43.692 0.2 . 1 . . . . 133 PHE CB . 19686 1 190 . 1 1 55 55 PHE N N 15 124.94 0.2 . 1 . . . . 133 PHE N . 19686 1 191 . 1 1 56 56 ASN H H 1 8.592 0.02 . 1 . . . . 134 ASN HN . 19686 1 192 . 1 1 56 56 ASN CA C 13 52.444 0.2 . 1 . . . . 134 ASN CA . 19686 1 193 . 1 1 56 56 ASN CB C 13 39.664 0.2 . 1 . . . . 134 ASN CB . 19686 1 194 . 1 1 56 56 ASN N N 15 115.335 0.2 . 1 . . . . 134 ASN N . 19686 1 195 . 1 1 57 57 GLU H H 1 9.408 0.02 . 1 . . . . 135 GLU HN . 19686 1 196 . 1 1 57 57 GLU CA C 13 59.763 0.2 . 1 . . . . 135 GLU CA . 19686 1 197 . 1 1 57 57 GLU CB C 13 29.047 0.2 . 1 . . . . 135 GLU CB . 19686 1 198 . 1 1 57 57 GLU N N 15 118.687 0.2 . 1 . . . . 135 GLU N . 19686 1 199 . 1 1 58 58 ARG H H 1 7.756 0.02 . 1 . . . . 136 ARG HN . 19686 1 200 . 1 1 58 58 ARG CA C 13 56.724 0.2 . 1 . . . . 136 ARG CA . 19686 1 201 . 1 1 58 58 ARG CB C 13 31.652 0.2 . 1 . . . . 136 ARG CB . 19686 1 202 . 1 1 58 58 ARG N N 15 116.972 0.2 . 1 . . . . 136 ARG N . 19686 1 203 . 1 1 59 59 GLY H H 1 7.826 0.02 . 1 . . . . 137 GLY HN . 19686 1 204 . 1 1 59 59 GLY CA C 13 43.638 0.2 . 1 . . . . 137 GLY CA . 19686 1 205 . 1 1 59 59 GLY N N 15 106.231 0.2 . 1 . . . . 137 GLY N . 19686 1 206 . 1 1 60 60 SER H H 1 7.979 0.02 . 1 . . . . 138 SER HN . 19686 1 207 . 1 1 60 60 SER CA C 13 58.66 0.2 . 1 . . . . 138 SER CA . 19686 1 208 . 1 1 60 60 SER CB C 13 64.255 0.2 . 1 . . . . 138 SER CB . 19686 1 209 . 1 1 60 60 SER N N 15 114.717 0.2 . 1 . . . . 138 SER N . 19686 1 210 . 1 1 61 61 LYS H H 1 9.43 0.02 . 1 . . . . 139 LYS HN . 19686 1 211 . 1 1 61 61 LYS CA C 13 57.943 0.2 . 1 . . . . 139 LYS CA . 19686 1 212 . 1 1 61 61 LYS CB C 13 31.207 0.2 . 1 . . . . 139 LYS CB . 19686 1 213 . 1 1 61 61 LYS N N 15 123.764 0.2 . 1 . . . . 139 LYS N . 19686 1 214 . 1 1 62 62 GLY H H 1 9.606 0.02 . 1 . . . . 140 GLY HN . 19686 1 215 . 1 1 62 62 GLY CA C 13 46.648 0.2 . 1 . . . . 140 GLY CA . 19686 1 216 . 1 1 62 62 GLY N N 15 106.93 0.2 . 1 . . . . 140 GLY N . 19686 1 217 . 1 1 63 63 PHE H H 1 7.391 0.02 . 1 . . . . 141 PHE HN . 19686 1 218 . 1 1 63 63 PHE CA C 13 55.484 0.2 . 1 . . . . 141 PHE CA . 19686 1 219 . 1 1 63 63 PHE CB C 13 42.438 0.2 . 1 . . . . 141 PHE CB . 19686 1 220 . 1 1 63 63 PHE N N 15 112.987 0.2 . 1 . . . . 141 PHE N . 19686 1 221 . 1 1 64 64 GLY H H 1 8.781 0.02 . 1 . . . . 142 GLY HN . 19686 1 222 . 1 1 64 64 GLY CA C 13 45.899 0.2 . 1 . . . . 142 GLY CA . 19686 1 223 . 1 1 64 64 GLY N N 15 105.063 0.2 . 1 . . . . 142 GLY N . 19686 1 224 . 1 1 65 65 PHE H H 1 9.082 0.02 . 1 . . . . 143 PHE HN . 19686 1 225 . 1 1 65 65 PHE CA C 13 56.594 0.2 . 1 . . . . 143 PHE CA . 19686 1 226 . 1 1 65 65 PHE CB C 13 44.022 0.2 . 1 . . . . 143 PHE CB . 19686 1 227 . 1 1 65 65 PHE N N 15 116.126 0.2 . 1 . . . . 143 PHE N . 19686 1 228 . 1 1 66 66 VAL H H 1 8.733 0.02 . 1 . . . . 144 VAL HN . 19686 1 229 . 1 1 66 66 VAL CA C 13 60.564 0.2 . 1 . . . . 144 VAL CA . 19686 1 230 . 1 1 66 66 VAL CB C 13 37.112 0.2 . 1 . . . . 144 VAL CB . 19686 1 231 . 1 1 66 66 VAL N N 15 118.003 0.2 . 1 . . . . 144 VAL N . 19686 1 232 . 1 1 67 67 THR H H 1 9.317 0.02 . 1 . . . . 145 THR HN . 19686 1 233 . 1 1 67 67 THR CA C 13 62.24 0.2 . 1 . . . . 145 THR CA . 19686 1 234 . 1 1 67 67 THR CB C 13 69.392 0.2 . 1 . . . . 145 THR CB . 19686 1 235 . 1 1 67 67 THR N N 15 123.73 0.2 . 1 . . . . 145 THR N . 19686 1 236 . 1 1 68 68 MET H H 1 8.795 0.02 . 1 . . . . 146 MET HN . 19686 1 237 . 1 1 68 68 MET CA C 13 53.604 0.2 . 1 . . . . 146 MET CA . 19686 1 238 . 1 1 68 68 MET CB C 13 31.432 0.2 . 1 . . . . 146 MET CB . 19686 1 239 . 1 1 68 68 MET N N 15 126.109 0.2 . 1 . . . . 146 MET N . 19686 1 240 . 1 1 69 69 GLN H H 1 8.353 0.02 . 1 . . . . 147 GLN HN . 19686 1 241 . 1 1 69 69 GLN CA C 13 59.832 0.2 . 1 . . . . 147 GLN CA . 19686 1 242 . 1 1 69 69 GLN CB C 13 30.584 0.2 . 1 . . . . 147 GLN CB . 19686 1 243 . 1 1 69 69 GLN N N 15 120.648 0.2 . 1 . . . . 147 GLN N . 19686 1 244 . 1 1 70 70 ASN H H 1 9.106 0.02 . 1 . . . . 148 ASN HN . 19686 1 245 . 1 1 70 70 ASN CA C 13 50.186 0.2 . 1 . . . . 148 ASN CA . 19686 1 246 . 1 1 70 70 ASN CB C 13 40.192 0.2 . 1 . . . . 148 ASN CB . 19686 1 247 . 1 1 70 70 ASN N N 15 114.753 0.2 . 1 . . . . 148 ASN N . 19686 1 248 . 1 1 71 71 PRO CA C 13 66.143 0.2 . 1 . . . . 149 PRO CA . 19686 1 249 . 1 1 71 71 PRO CB C 13 32.287 0.2 . 1 . . . . 149 PRO CB . 19686 1 250 . 1 1 72 72 ASP H H 1 8.653 0.02 . 1 . . . . 150 ASP HN . 19686 1 251 . 1 1 72 72 ASP CA C 13 57.512 0.2 . 1 . . . . 150 ASP CA . 19686 1 252 . 1 1 72 72 ASP CB C 13 40.248 0.2 . 1 . . . . 150 ASP CB . 19686 1 253 . 1 1 72 72 ASP N N 15 117.41 0.2 . 1 . . . . 150 ASP N . 19686 1 254 . 1 1 73 73 ASP H H 1 7.6 0.02 . 1 . . . . 151 ASP HN . 19686 1 255 . 1 1 73 73 ASP CA C 13 57.032 0.2 . 1 . . . . 151 ASP CA . 19686 1 256 . 1 1 73 73 ASP CB C 13 40.427 0.2 . 1 . . . . 151 ASP CB . 19686 1 257 . 1 1 73 73 ASP N N 15 119.776 0.2 . 1 . . . . 151 ASP N . 19686 1 258 . 1 1 74 74 ALA H H 1 7.68 0.02 . 1 . . . . 152 ALA HN . 19686 1 259 . 1 1 74 74 ALA CA C 13 56.397 0.2 . 1 . . . . 152 ALA CA . 19686 1 260 . 1 1 74 74 ALA CB C 13 18.042 0.2 . 1 . . . . 152 ALA CB . 19686 1 261 . 1 1 74 74 ALA N N 15 122.543 0.2 . 1 . . . . 152 ALA N . 19686 1 262 . 1 1 75 75 ASP H H 1 7.87 0.02 . 1 . . . . 153 ASP HN . 19686 1 263 . 1 1 75 75 ASP CA C 13 58.456 0.2 . 1 . . . . 153 ASP CA . 19686 1 264 . 1 1 75 75 ASP CB C 13 41.312 0.2 . 1 . . . . 153 ASP CB . 19686 1 265 . 1 1 75 75 ASP N N 15 118.043 0.2 . 1 . . . . 153 ASP N . 19686 1 266 . 1 1 76 76 ARG H H 1 8.019 0.02 . 1 . . . . 154 ARG HN . 19686 1 267 . 1 1 76 76 ARG CA C 13 59.972 0.2 . 1 . . . . 154 ARG CA . 19686 1 268 . 1 1 76 76 ARG CB C 13 30.877 0.2 . 1 . . . . 154 ARG CB . 19686 1 269 . 1 1 76 76 ARG N N 15 120.197 0.2 . 1 . . . . 154 ARG N . 19686 1 270 . 1 1 77 77 ALA H H 1 8.88 0.02 . 1 . . . . 155 ALA HN . 19686 1 271 . 1 1 77 77 ALA CA C 13 55.514 0.2 . 1 . . . . 155 ALA CA . 19686 1 272 . 1 1 77 77 ALA CB C 13 18.882 0.2 . 1 . . . . 155 ALA CB . 19686 1 273 . 1 1 77 77 ALA N N 15 121.247 0.2 . 1 . . . . 155 ALA N . 19686 1 274 . 1 1 78 78 ARG H H 1 8.162 0.02 . 1 . . . . 156 ARG HN . 19686 1 275 . 1 1 78 78 ARG CA C 13 61.251 0.2 . 1 . . . . 156 ARG CA . 19686 1 276 . 1 1 78 78 ARG CB C 13 30.52 0.2 . 1 . . . . 156 ARG CB . 19686 1 277 . 1 1 78 78 ARG N N 15 117.137 0.2 . 1 . . . . 156 ARG N . 19686 1 278 . 1 1 79 79 ALA H H 1 7.57 0.02 . 1 . . . . 157 ALA HN . 19686 1 279 . 1 1 79 79 ALA CA C 13 55.237 0.2 . 1 . . . . 157 ALA CA . 19686 1 280 . 1 1 79 79 ALA CB C 13 18.78 0.2 . 1 . . . . 157 ALA CB . 19686 1 281 . 1 1 79 79 ALA N N 15 119.304 0.2 . 1 . . . . 157 ALA N . 19686 1 282 . 1 1 80 80 GLU H H 1 8.335 0.02 . 1 . . . . 158 GLU HN . 19686 1 283 . 1 1 80 80 GLU CA C 13 58.801 0.2 . 1 . . . . 158 GLU CA . 19686 1 284 . 1 1 80 80 GLU CB C 13 30.273 0.2 . 1 . . . . 158 GLU CB . 19686 1 285 . 1 1 80 80 GLU N N 15 116.302 0.2 . 1 . . . . 158 GLU N . 19686 1 286 . 1 1 81 81 PHE H H 1 7.974 0.02 . 1 . . . . 159 PHE HN . 19686 1 287 . 1 1 81 81 PHE CA C 13 57.363 0.2 . 1 . . . . 159 PHE CA . 19686 1 288 . 1 1 81 81 PHE CB C 13 41.388 0.2 . 1 . . . . 159 PHE CB . 19686 1 289 . 1 1 81 81 PHE N N 15 111.235 0.2 . 1 . . . . 159 PHE N . 19686 1 290 . 1 1 82 82 ASN H H 1 8.264 0.02 . 1 . . . . 160 ASN HN . 19686 1 291 . 1 1 82 82 ASN CA C 13 57.39 0.2 . 1 . . . . 160 ASN CA . 19686 1 292 . 1 1 82 82 ASN CB C 13 39.37 0.2 . 1 . . . . 160 ASN CB . 19686 1 293 . 1 1 82 82 ASN N N 15 118.34 0.2 . 1 . . . . 160 ASN N . 19686 1 294 . 1 1 83 83 GLY H H 1 9.164 0.02 . 1 . . . . 161 GLY HN . 19686 1 295 . 1 1 83 83 GLY CA C 13 46.234 0.2 . 1 . . . . 161 GLY CA . 19686 1 296 . 1 1 83 83 GLY N N 15 116.269 0.2 . 1 . . . . 161 GLY N . 19686 1 297 . 1 1 84 84 THR H H 1 7.723 0.02 . 1 . . . . 162 THR HN . 19686 1 298 . 1 1 84 84 THR CA C 13 62.569 0.2 . 1 . . . . 162 THR CA . 19686 1 299 . 1 1 84 84 THR CB C 13 70.985 0.2 . 1 . . . . 162 THR CB . 19686 1 300 . 1 1 84 84 THR N N 15 114.05 0.2 . 1 . . . . 162 THR N . 19686 1 301 . 1 1 85 85 THR H H 1 8.336 0.02 . 1 . . . . 163 THR HN . 19686 1 302 . 1 1 85 85 THR CA C 13 62.454 0.2 . 1 . . . . 163 THR CA . 19686 1 303 . 1 1 85 85 THR CB C 13 69.803 0.2 . 1 . . . . 163 THR CB . 19686 1 304 . 1 1 85 85 THR N N 15 116.302 0.2 . 1 . . . . 163 THR N . 19686 1 305 . 1 1 86 86 ILE H H 1 9.014 0.02 . 1 . . . . 164 ILE HN . 19686 1 306 . 1 1 86 86 ILE CA C 13 60.611 0.2 . 1 . . . . 164 ILE CA . 19686 1 307 . 1 1 86 86 ILE CB C 13 40.594 0.2 . 1 . . . . 164 ILE CB . 19686 1 308 . 1 1 86 86 ILE N N 15 127.045 0.2 . 1 . . . . 164 ILE N . 19686 1 309 . 1 1 87 87 GLU H H 1 9.338 0.02 . 1 . . . . 165 GLU HN . 19686 1 310 . 1 1 87 87 GLU CA C 13 57.314 0.2 . 1 . . . . 165 GLU CA . 19686 1 311 . 1 1 87 87 GLU CB C 13 27.665 0.2 . 1 . . . . 165 GLU CB . 19686 1 312 . 1 1 87 87 GLU N N 15 125.395 0.2 . 1 . . . . 165 GLU N . 19686 1 313 . 1 1 88 88 GLY H H 1 8.22 0.02 . 1 . . . . 166 GLY HN . 19686 1 314 . 1 1 88 88 GLY CA C 13 45.876 0.2 . 1 . . . . 166 GLY CA . 19686 1 315 . 1 1 88 88 GLY N N 15 102.088 0.2 . 1 . . . . 166 GLY N . 19686 1 316 . 1 1 89 89 ARG H H 1 7.884 0.02 . 1 . . . . 167 ARG HN . 19686 1 317 . 1 1 89 89 ARG CA C 13 55.486 0.2 . 1 . . . . 167 ARG CA . 19686 1 318 . 1 1 89 89 ARG CB C 13 32.279 0.2 . 1 . . . . 167 ARG CB . 19686 1 319 . 1 1 89 89 ARG N N 15 120.364 0.2 . 1 . . . . 167 ARG N . 19686 1 320 . 1 1 90 90 ARG H H 1 8.48 0.02 . 1 . . . . 168 ARG HN . 19686 1 321 . 1 1 90 90 ARG CA C 13 56.388 0.2 . 1 . . . . 168 ARG CA . 19686 1 322 . 1 1 90 90 ARG CB C 13 30.065 0.2 . 1 . . . . 168 ARG CB . 19686 1 323 . 1 1 90 90 ARG N N 15 123.299 0.2 . 1 . . . . 168 ARG N . 19686 1 324 . 1 1 91 91 VAL H H 1 9.05 0.02 . 1 . . . . 169 VAL HN . 19686 1 325 . 1 1 91 91 VAL CA C 13 62.365 0.2 . 1 . . . . 169 VAL CA . 19686 1 326 . 1 1 91 91 VAL CB C 13 33.566 0.2 . 1 . . . . 169 VAL CB . 19686 1 327 . 1 1 91 91 VAL N N 15 129.824 0.2 . 1 . . . . 169 VAL N . 19686 1 328 . 1 1 92 92 GLU H H 1 7.919 0.02 . 1 . . . . 170 GLU HN . 19686 1 329 . 1 1 92 92 GLU CA C 13 54.32 0.2 . 1 . . . . 170 GLU CA . 19686 1 330 . 1 1 92 92 GLU CB C 13 32.883 0.2 . 1 . . . . 170 GLU CB . 19686 1 331 . 1 1 92 92 GLU N N 15 122.842 0.2 . 1 . . . . 170 GLU N . 19686 1 332 . 1 1 93 93 VAL H H 1 8.895 0.02 . 1 . . . . 171 VAL HN . 19686 1 333 . 1 1 93 93 VAL CA C 13 61.657 0.2 . 1 . . . . 171 VAL CA . 19686 1 334 . 1 1 93 93 VAL CB C 13 34.496 0.2 . 1 . . . . 171 VAL CB . 19686 1 335 . 1 1 93 93 VAL N N 15 122.811 0.2 . 1 . . . . 171 VAL N . 19686 1 336 . 1 1 94 94 ASN H H 1 9.477 0.02 . 1 . . . . 172 ASN HN . 19686 1 337 . 1 1 94 94 ASN CA C 13 51.825 0.2 . 1 . . . . 172 ASN CA . 19686 1 338 . 1 1 94 94 ASN CB C 13 44.974 0.2 . 1 . . . . 172 ASN CB . 19686 1 339 . 1 1 94 94 ASN N N 15 124.677 0.2 . 1 . . . . 172 ASN N . 19686 1 340 . 1 1 95 95 LEU H H 1 9.06 0.02 . 1 . . . . 173 LEU HN . 19686 1 341 . 1 1 95 95 LEU CA C 13 56.982 0.2 . 1 . . . . 173 LEU CA . 19686 1 342 . 1 1 95 95 LEU CB C 13 41.881 0.2 . 1 . . . . 173 LEU CB . 19686 1 343 . 1 1 95 95 LEU N N 15 120.318 0.2 . 1 . . . . 173 LEU N . 19686 1 344 . 1 1 96 96 ALA H H 1 8.617 0.02 . 1 . . . . 174 ALA HN . 19686 1 345 . 1 1 96 96 ALA CA C 13 52.409 0.2 . 1 . . . . 174 ALA CA . 19686 1 346 . 1 1 96 96 ALA CB C 13 19.916 0.2 . 1 . . . . 174 ALA CB . 19686 1 347 . 1 1 96 96 ALA N N 15 125.272 0.2 . 1 . . . . 174 ALA N . 19686 1 348 . 1 1 97 97 THR H H 1 8.639 0.02 . 1 . . . . 175 THR HN . 19686 1 349 . 1 1 97 97 THR CA C 13 61.347 0.2 . 1 . . . . 175 THR CA . 19686 1 350 . 1 1 97 97 THR CB C 13 70.326 0.2 . 1 . . . . 175 THR CB . 19686 1 351 . 1 1 97 97 THR N N 15 116.483 0.2 . 1 . . . . 175 THR N . 19686 1 352 . 1 1 98 98 GLN H H 1 8.765 0.02 . 1 . . . . 176 GLN HN . 19686 1 353 . 1 1 98 98 GLN CA C 13 56.645 0.2 . 1 . . . . 176 GLN CA . 19686 1 354 . 1 1 98 98 GLN CB C 13 29.913 0.2 . 1 . . . . 176 GLN CB . 19686 1 355 . 1 1 98 98 GLN N N 15 123.968 0.2 . 1 . . . . 176 GLN N . 19686 1 356 . 1 1 99 99 ARG H H 1 8.028 0.02 . 1 . . . . 177 ARG HN . 19686 1 357 . 1 1 99 99 ARG CA C 13 58.029 0.2 . 1 . . . . 177 ARG CA . 19686 1 358 . 1 1 99 99 ARG CB C 13 31.809 0.2 . 1 . . . . 177 ARG CB . 19686 1 359 . 1 1 99 99 ARG N N 15 128.024 0.2 . 1 . . . . 177 ARG N . 19686 1 stop_ save_