data_19064 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19064 _Entry.Title ; TIAR RRM2 chemical shifts in bound to RNA 5'-UUAUUU-3' ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-02-28 _Entry.Accession_date 2013-02-28 _Entry.Last_release_date 2014-02-13 _Entry.Original_release_date 2014-02-13 _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 . _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 Henry Kim . S. . 19064 2 Stephen Headey . J. . 19064 3 Yano Yoga . MK. . 19064 4 Martin Scanlon . J. . 19064 5 Miriam Gorospe . . . 19064 6 Matthew Wilce . CJ. . 19064 7 Jacqueline Wilce . A. . 19064 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19064 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 246 19064 '15N chemical shifts' 83 19064 '1H chemical shifts' 83 19064 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 . . 2014-02-13 2013-02-28 original author . 19064 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19063 'TIAR RRM2 chemical shifts in the apo state' 19064 PDB 2DH7 'Solution structure of the second RNA binding domain in Nucleolysin TIAR' 19064 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19064 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23603827 _Citation.Full_citation . _Citation.Title 'Distinct binding properties of TIAR RRMs and linker region.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'RNA Biol' _Citation.Journal_name_full 'RNA biology' _Citation.Journal_volume 10 _Citation.Journal_issue 4 _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 579 _Citation.Page_last 589 _Citation.Year 2013 _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 Henry Kim . S. . 19064 1 2 Stephen Headey . J. . 19064 1 3 Yano Yoga . M.K. . 19064 1 4 Martin Scanlon . J. . 19064 1 5 Myriam Gorospe . . . 19064 1 6 Matthew Wilce . C.J. . 19064 1 7 Jacqueline Wilce . A. . 19064 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID ARE 19064 1 NMR 19064 1 RNA-binding 19064 1 RRM 19064 1 SPR 19064 1 TIAR 19064 1 'translation regulation' 19064 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19064 _Assembly.ID 1 _Assembly.Name 'TIAR RRM2' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 'TIAR RRM2' 1 $TIAR_RRM2 A . yes native no yes . 'Oligonucleotide-binding protein' '15N,13C-labelled TIAR RRM2' 19064 1 2 'RNA 5'-UUAUUU-3'' 2 $RNA_TIAR_RRM2 A . no native no yes . 'RNA ligand' 'unlabelled 5'-UUAUUU-3'' 19064 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TIAR_RRM2 _Entity.Sf_category entity _Entity.Sf_framecode TIAR_RRM2 _Entity.Entry_ID 19064 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name TIAR_RRM2 _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 ; GSPGISGGGGGIPSNHFHVF VGDLSPEITTEDIKSAFAPF GKISDARVVKDMATGKSKGY GFVSFYNKLDAENAIVHMGG QWLGGRQIRTNWATRKPPAP K ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; -13, G -12, S -11, P ...... -3, G -2, I -1, P 94, S 95, N 96, H ...... 179, A 180, P 181, K ; _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 RNA _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 101 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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 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 no BMRB 19063 . TIAR_RRM2 . . . . . 100.00 101 100.00 100.00 6.05e-66 . . . . 19064 1 2 no PDB 2DH7 . "Solution Structure Of The Second Rna Binding Domain In Nucleolysin Tiar" . . . . . 86.14 105 100.00 100.00 7.78e-57 . . . . 19064 1 3 no GB AAO49722 . "TIAR, partial [Gallus gallus]" . . . . . 55.45 56 100.00 100.00 7.27e-31 . . . . 19064 1 4 no REF XP_004599869 . "PREDICTED: nucleolysin TIAR-like [Ochotona princeps]" . . . . . 87.13 184 100.00 100.00 6.65e-57 . . . . 19064 1 5 no REF XP_005088544 . "PREDICTED: nucleolysin TIAR-like, partial [Mesocricetus auratus]" . . . . . 87.13 198 100.00 100.00 6.57e-57 . . . . 19064 1 6 no REF XP_009584998 . "PREDICTED: nucleolysin TIAR-like, partial [Fulmarus glacialis]" . . . . . 55.45 127 100.00 100.00 1.61e-30 . . . . 19064 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'translation regulation' 19064 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 -13 GLY . 19064 1 2 -12 SER . 19064 1 3 -11 PRO . 19064 1 4 -10 GLY . 19064 1 5 -9 ILE . 19064 1 6 -8 SER . 19064 1 7 -7 GLY . 19064 1 8 -6 GLY . 19064 1 9 -5 GLY . 19064 1 10 -4 GLY . 19064 1 11 -3 GLY . 19064 1 12 -2 ILE . 19064 1 13 -1 PRO . 19064 1 14 94 SER . 19064 1 15 95 ASN . 19064 1 16 96 HIS . 19064 1 17 97 PHE . 19064 1 18 98 HIS . 19064 1 19 99 VAL . 19064 1 20 100 PHE . 19064 1 21 101 VAL . 19064 1 22 102 GLY . 19064 1 23 103 ASP . 19064 1 24 104 LEU . 19064 1 25 105 SER . 19064 1 26 106 PRO . 19064 1 27 107 GLU . 19064 1 28 108 ILE . 19064 1 29 109 THR . 19064 1 30 110 THR . 19064 1 31 111 GLU . 19064 1 32 112 ASP . 19064 1 33 113 ILE . 19064 1 34 114 LYS . 19064 1 35 115 SER . 19064 1 36 116 ALA . 19064 1 37 117 PHE . 19064 1 38 118 ALA . 19064 1 39 119 PRO . 19064 1 40 120 PHE . 19064 1 41 121 GLY . 19064 1 42 122 LYS . 19064 1 43 123 ILE . 19064 1 44 124 SER . 19064 1 45 125 ASP . 19064 1 46 126 ALA . 19064 1 47 127 ARG . 19064 1 48 128 VAL . 19064 1 49 129 VAL . 19064 1 50 130 LYS . 19064 1 51 131 ASP . 19064 1 52 132 MET . 19064 1 53 133 ALA . 19064 1 54 134 THR . 19064 1 55 135 GLY . 19064 1 56 136 LYS . 19064 1 57 137 SER . 19064 1 58 138 LYS . 19064 1 59 139 GLY . 19064 1 60 140 TYR . 19064 1 61 141 GLY . 19064 1 62 142 PHE . 19064 1 63 143 VAL . 19064 1 64 144 SER . 19064 1 65 145 PHE . 19064 1 66 146 TYR . 19064 1 67 147 ASN . 19064 1 68 148 LYS . 19064 1 69 149 LEU . 19064 1 70 150 ASP . 19064 1 71 151 ALA . 19064 1 72 152 GLU . 19064 1 73 153 ASN . 19064 1 74 154 ALA . 19064 1 75 155 ILE . 19064 1 76 156 VAL . 19064 1 77 157 HIS . 19064 1 78 158 MET . 19064 1 79 159 GLY . 19064 1 80 160 GLY . 19064 1 81 161 GLN . 19064 1 82 162 TRP . 19064 1 83 163 LEU . 19064 1 84 164 GLY . 19064 1 85 165 GLY . 19064 1 86 166 ARG . 19064 1 87 167 GLN . 19064 1 88 168 ILE . 19064 1 89 169 ARG . 19064 1 90 170 THR . 19064 1 91 171 ASN . 19064 1 92 172 TRP . 19064 1 93 173 ALA . 19064 1 94 174 THR . 19064 1 95 175 ARG . 19064 1 96 176 LYS . 19064 1 97 177 PRO . 19064 1 98 178 PRO . 19064 1 99 179 ALA . 19064 1 100 180 PRO . 19064 1 101 181 LYS . 19064 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 19064 1 . SER 2 2 19064 1 . PRO 3 3 19064 1 . GLY 4 4 19064 1 . ILE 5 5 19064 1 . SER 6 6 19064 1 . GLY 7 7 19064 1 . GLY 8 8 19064 1 . GLY 9 9 19064 1 . GLY 10 10 19064 1 . GLY 11 11 19064 1 . ILE 12 12 19064 1 . PRO 13 13 19064 1 . SER 14 14 19064 1 . ASN 15 15 19064 1 . HIS 16 16 19064 1 . PHE 17 17 19064 1 . HIS 18 18 19064 1 . VAL 19 19 19064 1 . PHE 20 20 19064 1 . VAL 21 21 19064 1 . GLY 22 22 19064 1 . ASP 23 23 19064 1 . LEU 24 24 19064 1 . SER 25 25 19064 1 . PRO 26 26 19064 1 . GLU 27 27 19064 1 . ILE 28 28 19064 1 . THR 29 29 19064 1 . THR 30 30 19064 1 . GLU 31 31 19064 1 . ASP 32 32 19064 1 . ILE 33 33 19064 1 . LYS 34 34 19064 1 . SER 35 35 19064 1 . ALA 36 36 19064 1 . PHE 37 37 19064 1 . ALA 38 38 19064 1 . PRO 39 39 19064 1 . PHE 40 40 19064 1 . GLY 41 41 19064 1 . LYS 42 42 19064 1 . ILE 43 43 19064 1 . SER 44 44 19064 1 . ASP 45 45 19064 1 . ALA 46 46 19064 1 . ARG 47 47 19064 1 . VAL 48 48 19064 1 . VAL 49 49 19064 1 . LYS 50 50 19064 1 . ASP 51 51 19064 1 . MET 52 52 19064 1 . ALA 53 53 19064 1 . THR 54 54 19064 1 . GLY 55 55 19064 1 . LYS 56 56 19064 1 . SER 57 57 19064 1 . LYS 58 58 19064 1 . GLY 59 59 19064 1 . TYR 60 60 19064 1 . GLY 61 61 19064 1 . PHE 62 62 19064 1 . VAL 63 63 19064 1 . SER 64 64 19064 1 . PHE 65 65 19064 1 . TYR 66 66 19064 1 . ASN 67 67 19064 1 . LYS 68 68 19064 1 . LEU 69 69 19064 1 . ASP 70 70 19064 1 . ALA 71 71 19064 1 . GLU 72 72 19064 1 . ASN 73 73 19064 1 . ALA 74 74 19064 1 . ILE 75 75 19064 1 . VAL 76 76 19064 1 . HIS 77 77 19064 1 . MET 78 78 19064 1 . GLY 79 79 19064 1 . GLY 80 80 19064 1 . GLN 81 81 19064 1 . TRP 82 82 19064 1 . LEU 83 83 19064 1 . GLY 84 84 19064 1 . GLY 85 85 19064 1 . ARG 86 86 19064 1 . GLN 87 87 19064 1 . ILE 88 88 19064 1 . ARG 89 89 19064 1 . THR 90 90 19064 1 . ASN 91 91 19064 1 . TRP 92 92 19064 1 . ALA 93 93 19064 1 . THR 94 94 19064 1 . ARG 95 95 19064 1 . LYS 96 96 19064 1 . PRO 97 97 19064 1 . PRO 98 98 19064 1 . ALA 99 99 19064 1 . PRO 100 100 19064 1 . LYS 101 101 19064 1 stop_ save_ save_RNA_TIAR_RRM2 _Entity.Sf_category entity _Entity.Sf_framecode RNA_TIAR_RRM2 _Entity.Entry_ID 19064 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name RNA_TIAR_RRM2 _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 UUAUUU _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; 1, U 2, U 3, A 4, U 5, U 6, U ; _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 6 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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 1 U . 19064 2 2 2 U . 19064 2 3 3 A . 19064 2 4 4 U . 19064 2 5 5 U . 19064 2 6 6 U . 19064 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 19064 2 . U 2 2 19064 2 . A 3 3 19064 2 . U 4 4 19064 2 . U 5 5 19064 2 . U 6 6 19064 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 19064 _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 $TIAR_RRM2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 19064 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 19064 _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 $TIAR_RRM2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET . . . . . . 19064 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_TIAR_RRM2_apo1 _Sample.Sf_category sample _Sample.Sf_framecode TIAR_RRM2_apo1 _Sample.Entry_ID 19064 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details apo _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 entity_1 '[U-13C; U-15N]' . . 1 $TIAR_RRM2 . . . . . mM . . . . 19064 1 2 entity_2 'natural abundance' . . 2 $RNA_TIAR_RRM2 . . . . . mM . . . . 19064 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19064 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19064 1 stop_ save_ save_TIAR_RRM2_apo2 _Sample.Sf_category sample _Sample.Sf_framecode TIAR_RRM2_apo2 _Sample.Entry_ID 19064 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details apo _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 entity_1 '[U-13C; U-15N]' . . 1 $TIAR_RRM2 . . . . . mM . . . . 19064 2 2 entity_2 'natural abundance' . . 2 $RNA_TIAR_RRM2 . . . . . mM . . . . 19064 2 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19064 2 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19064 2 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 19064 _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' 150 . mM 19064 1 pH 6 . pH 19064 1 pressure 1 . atm 19064 1 temperature 298 . K 19064 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19064 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 19064 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19064 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19064 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 19064 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 19064 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 19064 _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 $NMR_spectrometer_expt . . . . . . . . 1 $TIAR_RRM2_apo1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19064 1 2 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $TIAR_RRM2_apo1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19064 1 3 '3D CBCA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $TIAR_RRM2_apo1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19064 1 4 '3D HNCO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $TIAR_RRM2_apo1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19064 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 19064 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $SPARKY _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 19064 _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 0.00 na indirect 0.251449530 . . . . . . . . . 19064 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19064 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19064 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_RNA_TIAR_RRM2_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode RNA_TIAR_RRM2_1 _Assigned_chem_shift_list.Entry_ID 19064 _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' . . . 19064 1 2 '3D HNCACB' . . . 19064 1 3 '3D CBCA(CO)NH' . . . 19064 1 4 '3D HNCO' . . . 19064 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 14 14 SER H H 1 8.227 0.02 . . . . . . 94 SER HN . 19064 1 2 . 1 1 14 14 SER C C 13 173.966 0.2 . . . . . . 94 SER C . 19064 1 3 . 1 1 14 14 SER CA C 13 57.87 0.2 . . . . . . 94 SER CA . 19064 1 4 . 1 1 14 14 SER CB C 13 63.607 0.2 . . . . . . 94 SER CB . 19064 1 5 . 1 1 14 14 SER N N 15 116.487 0.2 . . . . . . 94 SER N . 19064 1 6 . 1 1 15 15 ASN H H 1 8.151 0.02 . . . . . . 95 ASN HN . 19064 1 7 . 1 1 15 15 ASN C C 13 173.88 0.2 . . . . . . 95 ASN C . 19064 1 8 . 1 1 15 15 ASN CA C 13 52.617 0.2 . . . . . . 95 ASN CA . 19064 1 9 . 1 1 15 15 ASN CB C 13 38.517 0.2 . . . . . . 95 ASN CB . 19064 1 10 . 1 1 15 15 ASN N N 15 120.643 0.2 . . . . . . 95 ASN N . 19064 1 11 . 1 1 16 16 HIS H H 1 7.59 0.02 . . . . . . 96 HIS HN . 19064 1 12 . 1 1 16 16 HIS C C 13 172.048 0.2 . . . . . . 96 HIS C . 19064 1 13 . 1 1 16 16 HIS CA C 13 53.341 0.2 . . . . . . 96 HIS CA . 19064 1 14 . 1 1 16 16 HIS CB C 13 30.935 0.2 . . . . . . 96 HIS CB . 19064 1 15 . 1 1 16 16 HIS N N 15 117.799 0.2 . . . . . . 96 HIS N . 19064 1 16 . 1 1 17 17 PHE H H 1 8.37 0.02 . . . . . . 97 PHE HN . 19064 1 17 . 1 1 17 17 PHE C C 13 174.899 0.2 . . . . . . 97 PHE C . 19064 1 18 . 1 1 17 17 PHE CA C 13 58.046 0.2 . . . . . . 97 PHE CA . 19064 1 19 . 1 1 17 17 PHE CB C 13 40.943 0.2 . . . . . . 97 PHE CB . 19064 1 20 . 1 1 17 17 PHE N N 15 118.456 0.2 . . . . . . 97 PHE N . 19064 1 21 . 1 1 18 18 HIS H H 1 9.07 0.02 . . . . . . 98 HIS HN . 19064 1 22 . 1 1 18 18 HIS C C 13 173.828 0.2 . . . . . . 98 HIS C . 19064 1 23 . 1 1 18 18 HIS CA C 13 56.253 0.2 . . . . . . 98 HIS CA . 19064 1 24 . 1 1 18 18 HIS CB C 13 32.952 0.2 . . . . . . 98 HIS CB . 19064 1 25 . 1 1 18 18 HIS N N 15 124.6 0.2 . . . . . . 98 HIS N . 19064 1 26 . 1 1 19 19 VAL H H 1 9.653 0.02 . . . . . . 99 VAL HN . 19064 1 27 . 1 1 19 19 VAL C C 13 175.055 0.2 . . . . . . 99 VAL C . 19064 1 28 . 1 1 19 19 VAL CA C 13 61.929 0.2 . . . . . . 99 VAL CA . 19064 1 29 . 1 1 19 19 VAL CB C 13 34.147 0.2 . . . . . . 99 VAL CB . 19064 1 30 . 1 1 19 19 VAL N N 15 126.7 0.2 . . . . . . 99 VAL N . 19064 1 31 . 1 1 20 20 PHE H H 1 8.958 0.02 . . . . . . 100 PHE HN . 19064 1 32 . 1 1 20 20 PHE C C 13 172.325 0.2 . . . . . . 100 PHE C . 19064 1 33 . 1 1 20 20 PHE CA C 13 56.627 0.2 . . . . . . 100 PHE CA . 19064 1 34 . 1 1 20 20 PHE CB C 13 40.644 0.2 . . . . . . 100 PHE CB . 19064 1 35 . 1 1 20 20 PHE N N 15 128.4 0.2 . . . . . . 100 PHE N . 19064 1 36 . 1 1 21 21 VAL H H 1 7.554 0.02 . . . . . . 101 VAL HN . 19064 1 37 . 1 1 21 21 VAL C C 13 173.24 0.2 . . . . . . 101 VAL C . 19064 1 38 . 1 1 21 21 VAL CA C 13 59.017 0.2 . . . . . . 101 VAL CA . 19064 1 39 . 1 1 21 21 VAL CB C 13 32.279 0.2 . . . . . . 101 VAL CB . 19064 1 40 . 1 1 21 21 VAL N N 15 127.424 0.2 . . . . . . 101 VAL N . 19064 1 41 . 1 1 22 22 GLY H H 1 8.523 0.02 . . . . . . 102 GLY HN . 19064 1 42 . 1 1 22 22 GLY C C 13 172.186 0.2 . . . . . . 102 GLY C . 19064 1 43 . 1 1 22 22 GLY CA C 13 43.109 0.2 . . . . . . 102 GLY CA . 19064 1 44 . 1 1 22 22 GLY N N 15 111.6 0.2 . . . . . . 102 GLY N . 19064 1 45 . 1 1 23 23 ASP H H 1 8.086 0.02 . . . . . . 103 ASP HN . 19064 1 46 . 1 1 23 23 ASP C C 13 173.724 0.2 . . . . . . 103 ASP C . 19064 1 47 . 1 1 23 23 ASP CA C 13 55.282 0.2 . . . . . . 103 ASP CA . 19064 1 48 . 1 1 23 23 ASP CB C 13 38.254 0.2 . . . . . . 103 ASP CB . 19064 1 49 . 1 1 23 23 ASP N N 15 115.83 0.2 . . . . . . 103 ASP N . 19064 1 50 . 1 1 24 24 LEU H H 1 7.436 0.02 . . . . . . 104 LEU HN . 19064 1 51 . 1 1 24 24 LEU C C 13 178.182 0.2 . . . . . . 104 LEU C . 19064 1 52 . 1 1 24 24 LEU CA C 13 52.594 0.2 . . . . . . 104 LEU CA . 19064 1 53 . 1 1 24 24 LEU CB C 13 42.586 0.2 . . . . . . 104 LEU CB . 19064 1 54 . 1 1 24 24 LEU N N 15 112.987 0.2 . . . . . . 104 LEU N . 19064 1 55 . 1 1 25 25 SER H H 1 8.804 0.02 . . . . . . 105 SER HN . 19064 1 56 . 1 1 25 25 SER CA C 13 56.488 0.2 . . . . . . 105 SER CA . 19064 1 57 . 1 1 25 25 SER CB C 13 62.709 0.2 . . . . . . 105 SER CB . 19064 1 58 . 1 1 25 25 SER N N 15 121.62 0.2 . . . . . . 105 SER N . 19064 1 59 . 1 1 26 26 PRO C C 13 176.143 0.2 . . . . . . 106 PRO C . 19064 1 60 . 1 1 26 26 PRO CA C 13 65.29 0.2 . . . . . . 106 PRO CA . 19064 1 61 . 1 1 26 26 PRO CB C 13 31.831 0.2 . . . . . . 106 PRO CB . 19064 1 62 . 1 1 27 27 GLU H H 1 8.895 0.02 . . . . . . 107 GLU HN . 19064 1 63 . 1 1 27 27 GLU C C 13 176.627 0.2 . . . . . . 107 GLU C . 19064 1 64 . 1 1 27 27 GLU CA C 13 56.179 0.2 . . . . . . 107 GLU CA . 19064 1 65 . 1 1 27 27 GLU CB C 13 28.695 0.2 . . . . . . 107 GLU CB . 19064 1 66 . 1 1 27 27 GLU N N 15 116.487 0.2 . . . . . . 107 GLU N . 19064 1 67 . 1 1 28 28 ILE H H 1 7.236 0.02 . . . . . . 108 ILE HN . 19064 1 68 . 1 1 28 28 ILE C C 13 176.886 0.2 . . . . . . 108 ILE C . 19064 1 69 . 1 1 28 28 ILE CA C 13 59.017 0.2 . . . . . . 108 ILE CA . 19064 1 70 . 1 1 28 28 ILE CB C 13 34.669 0.2 . . . . . . 108 ILE CB . 19064 1 71 . 1 1 28 28 ILE N N 15 122.174 0.2 . . . . . . 108 ILE N . 19064 1 72 . 1 1 29 29 THR H H 1 9.286 0.02 . . . . . . 109 THR HN . 19064 1 73 . 1 1 29 29 THR C C 13 176.126 0.2 . . . . . . 109 THR C . 19064 1 74 . 1 1 29 29 THR CA C 13 59.737 0.2 . . . . . . 109 THR CA . 19064 1 75 . 1 1 29 29 THR CB C 13 73.008 0.2 . . . . . . 109 THR CB . 19064 1 76 . 1 1 29 29 THR N N 15 121.518 0.2 . . . . . . 109 THR N . 19064 1 77 . 1 1 30 30 THR H H 1 8.889 0.02 . . . . . . 110 THR HN . 19064 1 78 . 1 1 30 30 THR C C 13 175.314 0.2 . . . . . . 110 THR C . 19064 1 79 . 1 1 30 30 THR CA C 13 66.634 0.2 . . . . . . 110 THR CA . 19064 1 80 . 1 1 30 30 THR CB C 13 68.427 0.2 . . . . . . 110 THR CB . 19064 1 81 . 1 1 30 30 THR N N 15 118.674 0.2 . . . . . . 110 THR N . 19064 1 82 . 1 1 31 31 GLU H H 1 8.233 0.02 . . . . . . 111 GLU HN . 19064 1 83 . 1 1 31 31 GLU C C 13 178.787 0.2 . . . . . . 111 GLU C . 19064 1 84 . 1 1 31 31 GLU CA C 13 59.988 0.2 . . . . . . 111 GLU CA . 19064 1 85 . 1 1 31 31 GLU CB C 13 28.396 0.2 . . . . . . 111 GLU CB . 19064 1 86 . 1 1 31 31 GLU N N 15 120.643 0.2 . . . . . . 111 GLU N . 19064 1 87 . 1 1 32 32 ASP H H 1 7.535 0.02 . . . . . . 112 ASP HN . 19064 1 88 . 1 1 32 32 ASP C C 13 179.634 0.2 . . . . . . 112 ASP C . 19064 1 89 . 1 1 32 32 ASP CA C 13 57.15 0.2 . . . . . . 112 ASP CA . 19064 1 90 . 1 1 32 32 ASP CB C 13 41.242 0.2 . . . . . . 112 ASP CB . 19064 1 91 . 1 1 32 32 ASP N N 15 120.206 0.2 . . . . . . 112 ASP N . 19064 1 92 . 1 1 33 33 ILE H H 1 7.695 0.02 . . . . . . 113 ILE HN . 19064 1 93 . 1 1 33 33 ILE C C 13 177.353 0.2 . . . . . . 113 ILE C . 19064 1 94 . 1 1 33 33 ILE CA C 13 63.946 0.2 . . . . . . 113 ILE CA . 19064 1 95 . 1 1 33 33 ILE CB C 13 36.761 0.2 . . . . . . 113 ILE CB . 19064 1 96 . 1 1 33 33 ILE N N 15 118.237 0.2 . . . . . . 113 ILE N . 19064 1 97 . 1 1 34 34 LYS H H 1 8.193 0.02 . . . . . . 114 LYS HN . 19064 1 98 . 1 1 34 34 LYS C C 13 178.01 0.2 . . . . . . 114 LYS C . 19064 1 99 . 1 1 34 34 LYS CA C 13 60.734 0.2 . . . . . . 114 LYS CA . 19064 1 100 . 1 1 34 34 LYS CB C 13 31.831 0.2 . . . . . . 114 LYS CB . 19064 1 101 . 1 1 34 34 LYS N N 15 121.96 0.2 . . . . . . 114 LYS N . 19064 1 102 . 1 1 35 35 SER H H 1 7.867 0.02 . . . . . . 115 SER HN . 19064 1 103 . 1 1 35 35 SER C C 13 176.662 0.2 . . . . . . 115 SER C . 19064 1 104 . 1 1 35 35 SER CA C 13 61.108 0.2 . . . . . . 115 SER CA . 19064 1 105 . 1 1 35 35 SER CB C 13 62.602 0.2 . . . . . . 115 SER CB . 19064 1 106 . 1 1 35 35 SER N N 15 112.33 0.2 . . . . . . 115 SER N . 19064 1 107 . 1 1 36 36 ALA H H 1 7.776 0.02 . . . . . . 116 ALA HN . 19064 1 108 . 1 1 36 36 ALA C C 13 177.612 0.2 . . . . . . 116 ALA C . 19064 1 109 . 1 1 36 36 ALA CA C 13 53.723 0.2 . . . . . . 116 ALA CA . 19064 1 110 . 1 1 36 36 ALA CB C 13 18.749 0.2 . . . . . . 116 ALA CB . 19064 1 111 . 1 1 36 36 ALA N N 15 121.518 0.2 . . . . . . 116 ALA N . 19064 1 112 . 1 1 37 37 PHE H H 1 7.917 0.02 . . . . . . 117 PHE HN . 19064 1 113 . 1 1 37 37 PHE C C 13 175.331 0.2 . . . . . . 117 PHE C . 19064 1 114 . 1 1 37 37 PHE CA C 13 59.241 0.2 . . . . . . 117 PHE CA . 19064 1 115 . 1 1 37 37 PHE CB C 13 39.823 0.2 . . . . . . 117 PHE CB . 19064 1 116 . 1 1 37 37 PHE N N 15 112.549 0.2 . . . . . . 117 PHE N . 19064 1 117 . 1 1 38 38 ALA H H 1 7.817 0.02 . . . . . . 118 ALA HN . 19064 1 118 . 1 1 38 38 ALA CA C 13 55.282 0.2 . . . . . . 118 ALA CA . 19064 1 119 . 1 1 38 38 ALA CB C 13 16.596 0.2 . . . . . . 118 ALA CB . 19064 1 120 . 1 1 38 38 ALA N N 15 125.456 0.2 . . . . . . 118 ALA N . 19064 1 121 . 1 1 39 39 PRO C C 13 177.249 0.2 . . . . . . 119 PRO C . 19064 1 122 . 1 1 39 39 PRO CA C 13 64.842 0.2 . . . . . . 119 PRO CA . 19064 1 123 . 1 1 39 39 PRO CB C 13 30.711 0.2 . . . . . . 119 PRO CB . 19064 1 124 . 1 1 40 40 PHE H H 1 7.552 0.02 . . . . . . 120 PHE HN . 19064 1 125 . 1 1 40 40 PHE C C 13 174.329 0.2 . . . . . . 120 PHE C . 19064 1 126 . 1 1 40 40 PHE CA C 13 59.39 0.2 . . . . . . 120 PHE CA . 19064 1 127 . 1 1 40 40 PHE CB C 13 38.702 0.2 . . . . . . 120 PHE CB . 19064 1 128 . 1 1 40 40 PHE N N 15 112.987 0.2 . . . . . . 120 PHE N . 19064 1 129 . 1 1 41 41 GLY H H 1 7.489 0.02 . . . . . . 121 GLY HN . 19064 1 130 . 1 1 41 41 GLY C C 13 171.426 0.2 . . . . . . 121 GLY C . 19064 1 131 . 1 1 41 41 GLY CA C 13 44.08 0.2 . . . . . . 121 GLY CA . 19064 1 132 . 1 1 41 41 GLY N N 15 105.33 0.2 . . . . . . 121 GLY N . 19064 1 133 . 1 1 42 42 LYS H H 1 8.058 0.02 . . . . . . 122 LYS HN . 19064 1 134 . 1 1 42 42 LYS C C 13 177.007 0.2 . . . . . . 122 LYS C . 19064 1 135 . 1 1 42 42 LYS CA C 13 57.523 0.2 . . . . . . 122 LYS CA . 19064 1 136 . 1 1 42 42 LYS CB C 13 32.728 0.2 . . . . . . 122 LYS CB . 19064 1 137 . 1 1 42 42 LYS N N 15 117.581 0.2 . . . . . . 122 LYS N . 19064 1 138 . 1 1 43 43 ILE H H 1 8.33 0.02 . . . . . . 123 ILE HN . 19064 1 139 . 1 1 43 43 ILE C C 13 176.624 0.2 . . . . . . 123 ILE C . 19064 1 140 . 1 1 43 43 ILE CA C 13 60.062 0.2 . . . . . . 123 ILE CA . 19064 1 141 . 1 1 43 43 ILE CB C 13 40.495 0.2 . . . . . . 123 ILE CB . 19064 1 142 . 1 1 43 43 ILE N N 15 128.4 0.2 . . . . . . 123 ILE N . 19064 1 143 . 1 1 44 44 SER H H 1 8.657 0.02 . . . . . . 124 SER HN . 19064 1 144 . 1 1 44 44 SER C C 13 174.277 0.2 . . . . . . 124 SER C . 19064 1 145 . 1 1 44 44 SER CA C 13 58.419 0.2 . . . . . . 124 SER CA . 19064 1 146 . 1 1 44 44 SER CB C 13 62.377 0.2 . . . . . . 124 SER CB . 19064 1 147 . 1 1 44 44 SER N N 15 123.924 0.2 . . . . . . 124 SER N . 19064 1 148 . 1 1 45 45 ASP H H 1 7.14 0.02 . . . . . . 125 ASP HN . 19064 1 149 . 1 1 45 45 ASP C C 13 172.532 0.2 . . . . . . 125 ASP C . 19064 1 150 . 1 1 45 45 ASP CA C 13 53.266 0.2 . . . . . . 125 ASP CA . 19064 1 151 . 1 1 45 45 ASP CB C 13 43.557 0.2 . . . . . . 125 ASP CB . 19064 1 152 . 1 1 45 45 ASP N N 15 119.549 0.2 . . . . . . 125 ASP N . 19064 1 153 . 1 1 46 46 ALA H H 1 8.024 0.02 . . . . . . 126 ALA HN . 19064 1 154 . 1 1 46 46 ALA C C 13 175.141 0.2 . . . . . . 126 ALA C . 19064 1 155 . 1 1 46 46 ALA CA C 13 51.473 0.2 . . . . . . 126 ALA CA . 19064 1 156 . 1 1 46 46 ALA CB C 13 22.421 0.2 . . . . . . 126 ALA CB . 19064 1 157 . 1 1 46 46 ALA N N 15 121.1 0.2 . . . . . . 126 ALA N . 19064 1 158 . 1 1 47 47 ARG H H 1 8.647 0.02 . . . . . . 127 ARG HN . 19064 1 159 . 1 1 47 47 ARG C C 13 174.329 0.2 . . . . . . 127 ARG C . 19064 1 160 . 1 1 47 47 ARG CA C 13 55.88 0.2 . . . . . . 127 ARG CA . 19064 1 161 . 1 1 47 47 ARG CB C 13 33.026 0.2 . . . . . . 127 ARG CB . 19064 1 162 . 1 1 47 47 ARG N N 15 116.049 0.2 . . . . . . 127 ARG N . 19064 1 163 . 1 1 48 48 VAL H H 1 7.563 0.02 . . . . . . 128 VAL HN . 19064 1 164 . 1 1 48 48 VAL C C 13 175.85 0.2 . . . . . . 128 VAL C . 19064 1 165 . 1 1 48 48 VAL CA C 13 62.826 0.2 . . . . . . 128 VAL CA . 19064 1 166 . 1 1 48 48 VAL CB C 13 32.952 0.2 . . . . . . 128 VAL CB . 19064 1 167 . 1 1 48 48 VAL N N 15 125.1 0.2 . . . . . . 128 VAL N . 19064 1 168 . 1 1 49 49 VAL H H 1 8.268 0.02 . . . . . . 129 VAL HN . 19064 1 169 . 1 1 49 49 VAL C C 13 173.828 0.2 . . . . . . 129 VAL C . 19064 1 170 . 1 1 49 49 VAL CA C 13 64.095 0.2 . . . . . . 129 VAL CA . 19064 1 171 . 1 1 49 49 VAL CB C 13 30.263 0.2 . . . . . . 129 VAL CB . 19064 1 172 . 1 1 49 49 VAL N N 15 131.2 0.2 . . . . . . 129 VAL N . 19064 1 173 . 1 1 50 50 LYS H H 1 8.017 0.02 . . . . . . 130 LYS HN . 19064 1 174 . 1 1 50 50 LYS C C 13 175.746 0.2 . . . . . . 130 LYS C . 19064 1 175 . 1 1 50 50 LYS CA C 13 53.723 0.2 . . . . . . 130 LYS CA . 19064 1 176 . 1 1 50 50 LYS CB C 13 35.199 0.2 . . . . . . 130 LYS CB . 19064 1 177 . 1 1 50 50 LYS N N 15 125.674 0.2 . . . . . . 130 LYS N . 19064 1 178 . 1 1 51 51 ASP H H 1 8.522 0.02 . . . . . . 131 ASP HN . 19064 1 179 . 1 1 51 51 ASP C C 13 177.267 0.2 . . . . . . 131 ASP C . 19064 1 180 . 1 1 51 51 ASP CA C 13 53.415 0.2 . . . . . . 131 ASP CA . 19064 1 181 . 1 1 51 51 ASP CB C 13 42.388 0.2 . . . . . . 131 ASP CB . 19064 1 182 . 1 1 51 51 ASP N N 15 122.393 0.2 . . . . . . 131 ASP N . 19064 1 183 . 1 1 52 52 MET H H 1 8.916 0.02 . . . . . . 132 MET HN . 19064 1 184 . 1 1 52 52 MET C C 13 177.318 0.2 . . . . . . 132 MET C . 19064 1 185 . 1 1 52 52 MET CA C 13 56.972 0.2 . . . . . . 132 MET CA . 19064 1 186 . 1 1 52 52 MET CB C 13 31.259 0.2 . . . . . . 132 MET CB . 19064 1 187 . 1 1 52 52 MET N N 15 127.643 0.2 . . . . . . 132 MET N . 19064 1 188 . 1 1 53 53 ALA H H 1 8.438 0.02 . . . . . . 133 ALA HN . 19064 1 189 . 1 1 53 53 ALA C C 13 179.513 0.2 . . . . . . 133 ALA C . 19064 1 190 . 1 1 53 53 ALA CA C 13 54.013 0.2 . . . . . . 133 ALA CA . 19064 1 191 . 1 1 53 53 ALA CB C 13 18.911 0.2 . . . . . . 133 ALA CB . 19064 1 192 . 1 1 53 53 ALA N N 15 121.299 0.2 . . . . . . 133 ALA N . 19064 1 193 . 1 1 54 54 THR H H 1 7.617 0.02 . . . . . . 134 THR HN . 19064 1 194 . 1 1 54 54 THR C C 13 176.437 0.2 . . . . . . 134 THR C . 19064 1 195 . 1 1 54 54 THR CA C 13 61.108 0.2 . . . . . . 134 THR CA . 19064 1 196 . 1 1 54 54 THR CB C 13 70.966 0.2 . . . . . . 134 THR CB . 19064 1 197 . 1 1 54 54 THR N N 15 105.33 0.2 . . . . . . 134 THR N . 19064 1 198 . 1 1 55 55 GLY H H 1 8.328 0.02 . . . . . . 135 GLY HN . 19064 1 199 . 1 1 55 55 GLY C C 13 173.517 0.2 . . . . . . 135 GLY C . 19064 1 200 . 1 1 55 55 GLY CA C 13 45.275 0.2 . . . . . . 135 GLY CA . 19064 1 201 . 1 1 55 55 GLY N N 15 111.893 0.2 . . . . . . 135 GLY N . 19064 1 202 . 1 1 56 56 LYS H H 1 7.579 0.02 . . . . . . 136 LYS HN . 19064 1 203 . 1 1 56 56 LYS C C 13 176.264 0.2 . . . . . . 136 LYS C . 19064 1 204 . 1 1 56 56 LYS CA C 13 55.208 0.2 . . . . . . 136 LYS CA . 19064 1 205 . 1 1 56 56 LYS CB C 13 33.402 0.2 . . . . . . 136 LYS CB . 19064 1 206 . 1 1 56 56 LYS N N 15 119.768 0.2 . . . . . . 136 LYS N . 19064 1 207 . 1 1 57 57 SER H H 1 8.646 0.02 . . . . . . 137 SER HN . 19064 1 208 . 1 1 57 57 SER C C 13 176.956 0.2 . . . . . . 137 SER C . 19064 1 209 . 1 1 57 57 SER CA C 13 57.971 0.2 . . . . . . 137 SER CA . 19064 1 210 . 1 1 57 57 SER CB C 13 63.647 0.2 . . . . . . 137 SER CB . 19064 1 211 . 1 1 57 57 SER N N 15 116.049 0.2 . . . . . . 137 SER N . 19064 1 212 . 1 1 58 58 LYS H H 1 9.18 0.02 . . . . . . 138 LYS HN . 19064 1 213 . 1 1 58 58 LYS C C 13 177.042 0.2 . . . . . . 138 LYS C . 19064 1 214 . 1 1 58 58 LYS CA C 13 56.477 0.2 . . . . . . 138 LYS CA . 19064 1 215 . 1 1 58 58 LYS CB C 13 32.429 0.2 . . . . . . 138 LYS CB . 19064 1 216 . 1 1 58 58 LYS N N 15 126.331 0.2 . . . . . . 138 LYS N . 19064 1 217 . 1 1 59 59 GLY H H 1 8.931 0.02 . . . . . . 139 GLY HN . 19064 1 218 . 1 1 59 59 GLY C C 13 172.601 0.2 . . . . . . 139 GLY C . 19064 1 219 . 1 1 59 59 GLY CA C 13 45.125 0.2 . . . . . . 139 GLY CA . 19064 1 220 . 1 1 59 59 GLY N N 15 106.33 0.2 . . . . . . 139 GLY N . 19064 1 221 . 1 1 60 60 TYR H H 1 6.869 0.02 . . . . . . 140 TYR HN . 19064 1 222 . 1 1 60 60 TYR C C 13 172.083 0.2 . . . . . . 140 TYR C . 19064 1 223 . 1 1 60 60 TYR CA C 13 54.909 0.2 . . . . . . 140 TYR CA . 19064 1 224 . 1 1 60 60 TYR CB C 13 40.271 0.2 . . . . . . 140 TYR CB . 19064 1 225 . 1 1 60 60 TYR N N 15 113.424 0.2 . . . . . . 140 TYR N . 19064 1 226 . 1 1 61 61 GLY H H 1 8.663 0.02 . . . . . . 141 GLY HN . 19064 1 227 . 1 1 61 61 GLY C C 13 169.041 0.2 . . . . . . 141 GLY C . 19064 1 228 . 1 1 61 61 GLY CA C 13 44.976 0.2 . . . . . . 141 GLY CA . 19064 1 229 . 1 1 61 61 GLY N N 15 106.862 0.2 . . . . . . 141 GLY N . 19064 1 230 . 1 1 62 62 PHE H H 1 8.324 0.02 . . . . . . 142 PHE HN . 19064 1 231 . 1 1 62 62 PHE C C 13 174.519 0.2 . . . . . . 142 PHE C . 19064 1 232 . 1 1 62 62 PHE CA C 13 55.656 0.2 . . . . . . 142 PHE CA . 19064 1 233 . 1 1 62 62 PHE CB C 13 44.752 0.2 . . . . . . 142 PHE CB . 19064 1 234 . 1 1 62 62 PHE N N 15 114 0.2 . . . . . . 142 PHE N . 19064 1 235 . 1 1 63 63 VAL H H 1 8.857 0.02 . . . . . . 143 VAL HN . 19064 1 236 . 1 1 63 63 VAL C C 13 173.448 0.2 . . . . . . 143 VAL C . 19064 1 237 . 1 1 63 63 VAL CA C 13 60.734 0.2 . . . . . . 143 VAL CA . 19064 1 238 . 1 1 63 63 VAL CB C 13 34.445 0.2 . . . . . . 143 VAL CB . 19064 1 239 . 1 1 63 63 VAL N N 15 120.643 0.2 . . . . . . 143 VAL N . 19064 1 240 . 1 1 64 64 SER H H 1 8.547 0.02 . . . . . . 144 SER HN . 19064 1 241 . 1 1 64 64 SER C C 13 172.722 0.2 . . . . . . 144 SER C . 19064 1 242 . 1 1 64 64 SER CA C 13 56.627 0.2 . . . . . . 144 SER CA . 19064 1 243 . 1 1 64 64 SER CB C 13 63.796 0.2 . . . . . . 144 SER CB . 19064 1 244 . 1 1 64 64 SER N N 15 122.4 0.2 . . . . . . 144 SER N . 19064 1 245 . 1 1 65 65 PHE H H 1 9.147 0.02 . . . . . . 145 PHE HN . 19064 1 246 . 1 1 65 65 PHE C C 13 175.884 0.2 . . . . . . 145 PHE C . 19064 1 247 . 1 1 65 65 PHE CA C 13 56.695 0.2 . . . . . . 145 PHE CA . 19064 1 248 . 1 1 65 65 PHE CB C 13 42.586 0.2 . . . . . . 145 PHE CB . 19064 1 249 . 1 1 65 65 PHE N N 15 122.612 0.2 . . . . . . 145 PHE N . 19064 1 250 . 1 1 66 66 TYR H H 1 7.871 0.02 . . . . . . 146 TYR HN . 19064 1 251 . 1 1 66 66 TYR C C 13 175.746 0.2 . . . . . . 146 TYR C . 19064 1 252 . 1 1 66 66 TYR CA C 13 61.108 0.2 . . . . . . 146 TYR CA . 19064 1 253 . 1 1 66 66 TYR CB C 13 38.777 0.2 . . . . . . 146 TYR CB . 19064 1 254 . 1 1 66 66 TYR N N 15 118.456 0.2 . . . . . . 146 TYR N . 19064 1 255 . 1 1 67 67 ASN H H 1 8.425 0.02 . . . . . . 147 ASN HN . 19064 1 256 . 1 1 67 67 ASN C C 13 174.45 0.2 . . . . . . 147 ASN C . 19064 1 257 . 1 1 67 67 ASN CA C 13 51.623 0.2 . . . . . . 147 ASN CA . 19064 1 258 . 1 1 67 67 ASN CB C 13 40.719 0.2 . . . . . . 147 ASN CB . 19064 1 259 . 1 1 67 67 ASN N N 15 115 0.2 . . . . . . 147 ASN N . 19064 1 260 . 1 1 68 68 LYS H H 1 8.219 0.02 . . . . . . 148 LYS HN . 19064 1 261 . 1 1 68 68 LYS C C 13 177.388 0.2 . . . . . . 148 LYS C . 19064 1 262 . 1 1 68 68 LYS CA C 13 59.988 0.2 . . . . . . 148 LYS CA . 19064 1 263 . 1 1 68 68 LYS CB C 13 32.055 0.2 . . . . . . 148 LYS CB . 19064 1 264 . 1 1 68 68 LYS N N 15 128.081 0.2 . . . . . . 148 LYS N . 19064 1 265 . 1 1 69 69 LEU H H 1 8.081 0.02 . . . . . . 149 LEU HN . 19064 1 266 . 1 1 69 69 LEU C C 13 178.649 0.2 . . . . . . 149 LEU C . 19064 1 267 . 1 1 69 69 LEU CA C 13 57.15 0.2 . . . . . . 149 LEU CA . 19064 1 268 . 1 1 69 69 LEU CB C 13 41.242 0.2 . . . . . . 149 LEU CB . 19064 1 269 . 1 1 69 69 LEU N N 15 118.674 0.2 . . . . . . 149 LEU N . 19064 1 270 . 1 1 70 70 ASP H H 1 6.898 0.02 . . . . . . 150 ASP HN . 19064 1 271 . 1 1 70 70 ASP C C 13 176.403 0.2 . . . . . . 150 ASP C . 19064 1 272 . 1 1 70 70 ASP CA C 13 56.35 0.2 . . . . . . 150 ASP CA . 19064 1 273 . 1 1 70 70 ASP CB C 13 40.314 0.2 . . . . . . 150 ASP CB . 19064 1 274 . 1 1 70 70 ASP N N 15 120.424 0.2 . . . . . . 150 ASP N . 19064 1 275 . 1 1 71 71 ALA H H 1 6.59 0.02 . . . . . . 151 ALA HN . 19064 1 276 . 1 1 71 71 ALA C C 13 178.027 0.2 . . . . . . 151 ALA C . 19064 1 277 . 1 1 71 71 ALA CA C 13 54.087 0.2 . . . . . . 151 ALA CA . 19064 1 278 . 1 1 71 71 ALA CB C 13 18.986 0.2 . . . . . . 151 ALA CB . 19064 1 279 . 1 1 71 71 ALA N N 15 120.424 0.2 . . . . . . 151 ALA N . 19064 1 280 . 1 1 72 72 GLU H H 1 8.314 0.02 . . . . . . 152 GLU HN . 19064 1 281 . 1 1 72 72 GLU C C 13 178.338 0.2 . . . . . . 152 GLU C . 19064 1 282 . 1 1 72 72 GLU CA C 13 59.39 0.2 . . . . . . 152 GLU CA . 19064 1 283 . 1 1 72 72 GLU CB C 13 29.815 0.2 . . . . . . 152 GLU CB . 19064 1 284 . 1 1 72 72 GLU N N 15 118.018 0.2 . . . . . . 152 GLU N . 19064 1 285 . 1 1 73 73 ASN H H 1 8.072 0.02 . . . . . . 153 ASN HN . 19064 1 286 . 1 1 73 73 ASN C C 13 177.733 0.2 . . . . . . 153 ASN C . 19064 1 287 . 1 1 73 73 ASN CA C 13 55.282 0.2 . . . . . . 153 ASN CA . 19064 1 288 . 1 1 73 73 ASN CB C 13 38.105 0.2 . . . . . . 153 ASN CB . 19064 1 289 . 1 1 73 73 ASN N N 15 117.799 0.2 . . . . . . 153 ASN N . 19064 1 290 . 1 1 74 74 ALA H H 1 7.888 0.02 . . . . . . 154 ALA HN . 19064 1 291 . 1 1 74 74 ALA C C 13 178.839 0.2 . . . . . . 154 ALA C . 19064 1 292 . 1 1 74 74 ALA CA C 13 54.414 0.2 . . . . . . 154 ALA CA . 19064 1 293 . 1 1 74 74 ALA CB C 13 18.887 0.2 . . . . . . 154 ALA CB . 19064 1 294 . 1 1 74 74 ALA N N 15 123.924 0.2 . . . . . . 154 ALA N . 19064 1 295 . 1 1 75 75 ILE H H 1 7.955 0.02 . . . . . . 155 ILE HN . 19064 1 296 . 1 1 75 75 ILE C C 13 179.323 0.2 . . . . . . 155 ILE C . 19064 1 297 . 1 1 75 75 ILE CA C 13 66.41 0.2 . . . . . . 155 ILE CA . 19064 1 298 . 1 1 75 75 ILE CB C 13 37.881 0.2 . . . . . . 155 ILE CB . 19064 1 299 . 1 1 75 75 ILE N N 15 118.14 0.2 . . . . . . 155 ILE N . 19064 1 300 . 1 1 76 76 VAL H H 1 7.723 0.02 . . . . . . 156 VAL HN . 19064 1 301 . 1 1 76 76 VAL C C 13 178.182 0.2 . . . . . . 156 VAL C . 19064 1 302 . 1 1 76 76 VAL CA C 13 64.991 0.2 . . . . . . 156 VAL CA . 19064 1 303 . 1 1 76 76 VAL CB C 13 31.981 0.2 . . . . . . 156 VAL CB . 19064 1 304 . 1 1 76 76 VAL N N 15 117.362 0.2 . . . . . . 156 VAL N . 19064 1 305 . 1 1 77 77 HIS H H 1 7.828 0.02 . . . . . . 157 HIS HN . 19064 1 306 . 1 1 77 77 HIS C C 13 176.213 0.2 . . . . . . 157 HIS C . 19064 1 307 . 1 1 77 77 HIS CA C 13 58.494 0.2 . . . . . . 157 HIS CA . 19064 1 308 . 1 1 77 77 HIS CB C 13 29.143 0.2 . . . . . . 157 HIS CB . 19064 1 309 . 1 1 77 77 HIS N N 15 114.518 0.2 . . . . . . 157 HIS N . 19064 1 310 . 1 1 78 78 MET H H 1 7.673 0.02 . . . . . . 158 MET HN . 19064 1 311 . 1 1 78 78 MET C C 13 177.146 0.2 . . . . . . 158 MET C . 19064 1 312 . 1 1 78 78 MET CA C 13 53.415 0.2 . . . . . . 158 MET CA . 19064 1 313 . 1 1 78 78 MET CB C 13 30.487 0.2 . . . . . . 158 MET CB . 19064 1 314 . 1 1 78 78 MET N N 15 114.737 0.2 . . . . . . 158 MET N . 19064 1 315 . 1 1 79 79 GLY H H 1 6.912 0.02 . . . . . . 159 GLY HN . 19064 1 316 . 1 1 79 79 GLY CA C 13 48.486 0.2 . . . . . . 159 GLY CA . 19064 1 317 . 1 1 79 79 GLY N N 15 107.737 0.2 . . . . . . 159 GLY N . 19064 1 318 . 1 1 80 80 GLY H H 1 8.343 0.02 . . . . . . 160 GLY HN . 19064 1 319 . 1 1 80 80 GLY C C 13 174.364 0.2 . . . . . . 160 GLY C . 19064 1 320 . 1 1 80 80 GLY CA C 13 45.424 0.2 . . . . . . 160 GLY CA . 19064 1 321 . 1 1 80 80 GLY N N 15 115.83 0.2 . . . . . . 160 GLY N . 19064 1 322 . 1 1 81 81 GLN H H 1 7.439 0.02 . . . . . . 161 GLN HN . 19064 1 323 . 1 1 81 81 GLN C C 13 174.878 0.2 . . . . . . 161 GLN C . 19064 1 324 . 1 1 81 81 GLN CA C 13 54.685 0.2 . . . . . . 161 GLN CA . 19064 1 325 . 1 1 81 81 GLN CB C 13 28.396 0.2 . . . . . . 161 GLN CB . 19064 1 326 . 1 1 81 81 GLN N N 15 119.549 0.2 . . . . . . 161 GLN N . 19064 1 327 . 1 1 82 82 TRP H H 1 8.52 0.02 . . . . . . 162 TRP HN . 19064 1 328 . 1 1 82 82 TRP C C 13 176.351 0.2 . . . . . . 162 TRP C . 19064 1 329 . 1 1 82 82 TRP CA C 13 57.374 0.2 . . . . . . 162 TRP CA . 19064 1 330 . 1 1 82 82 TRP CB C 13 28.695 0.2 . . . . . . 162 TRP CB . 19064 1 331 . 1 1 82 82 TRP N N 15 121.518 0.2 . . . . . . 162 TRP N . 19064 1 332 . 1 1 83 83 LEU H H 1 8.448 0.02 . . . . . . 163 LEU HN . 19064 1 333 . 1 1 83 83 LEU C C 13 176.558 0.2 . . . . . . 163 LEU C . 19064 1 334 . 1 1 83 83 LEU CA C 13 54.311 0.2 . . . . . . 163 LEU CA . 19064 1 335 . 1 1 83 83 LEU CB C 13 43.706 0.2 . . . . . . 163 LEU CB . 19064 1 336 . 1 1 83 83 LEU N N 15 126.549 0.2 . . . . . . 163 LEU N . 19064 1 337 . 1 1 84 84 GLY H H 1 9.194 0.02 . . . . . . 164 GLY HN . 19064 1 338 . 1 1 84 84 GLY C C 13 175.539 0.2 . . . . . . 164 GLY C . 19064 1 339 . 1 1 84 84 GLY CA C 13 46.918 0.2 . . . . . . 164 GLY CA . 19064 1 340 . 1 1 84 84 GLY N N 15 115.83 0.2 . . . . . . 164 GLY N . 19064 1 341 . 1 1 85 85 GLY H H 1 8.607 0.02 . . . . . . 165 GLY HN . 19064 1 342 . 1 1 85 85 GLY C C 13 173.569 0.2 . . . . . . 165 GLY C . 19064 1 343 . 1 1 85 85 GLY CA C 13 45.349 0.2 . . . . . . 165 GLY CA . 19064 1 344 . 1 1 85 85 GLY N N 15 108.5 0.2 . . . . . . 165 GLY N . 19064 1 345 . 1 1 86 86 ARG H H 1 7.501 0.02 . . . . . . 166 ARG HN . 19064 1 346 . 1 1 86 86 ARG C C 13 173.586 0.2 . . . . . . 166 ARG C . 19064 1 347 . 1 1 86 86 ARG CA C 13 54.76 0.2 . . . . . . 166 ARG CA . 19064 1 348 . 1 1 86 86 ARG CB C 13 33.997 0.2 . . . . . . 166 ARG CB . 19064 1 349 . 1 1 86 86 ARG N N 15 118.893 0.2 . . . . . . 166 ARG N . 19064 1 350 . 1 1 87 87 GLN H H 1 7.677 0.02 . . . . . . 167 GLN HN . 19064 1 351 . 1 1 87 87 GLN C C 13 176.053 0.2 . . . . . . 167 GLN C . 19064 1 352 . 1 1 87 87 GLN CA C 13 54.76 0.2 . . . . . . 167 GLN CA . 19064 1 353 . 1 1 87 87 GLN CB C 13 29.441 0.2 . . . . . . 167 GLN CB . 19064 1 354 . 1 1 87 87 GLN N N 15 122.174 0.2 . . . . . . 167 GLN N . 19064 1 355 . 1 1 88 88 ILE H H 1 8.031 0.02 . . . . . . 168 ILE HN . 19064 1 356 . 1 1 88 88 ILE C C 13 175.975 0.2 . . . . . . 168 ILE C . 19064 1 357 . 1 1 88 88 ILE CA C 13 60.66 0.2 . . . . . . 168 ILE CA . 19064 1 358 . 1 1 88 88 ILE CB C 13 39.599 0.2 . . . . . . 168 ILE CB . 19064 1 359 . 1 1 88 88 ILE N N 15 118.7 0.2 . . . . . . 168 ILE N . 19064 1 360 . 1 1 89 89 ARG H H 1 7.799 0.02 . . . . . . 169 ARG HN . 19064 1 361 . 1 1 89 89 ARG C C 13 175.028 0.2 . . . . . . 169 ARG C . 19064 1 362 . 1 1 89 89 ARG CA C 13 53.415 0.2 . . . . . . 169 ARG CA . 19064 1 363 . 1 1 89 89 ARG CB C 13 33.176 0.2 . . . . . . 169 ARG CB . 19064 1 364 . 1 1 89 89 ARG N N 15 120.206 0.2 . . . . . . 169 ARG N . 19064 1 365 . 1 1 90 90 THR H H 1 8.279 0.02 . . . . . . 170 THR HN . 19064 1 366 . 1 1 90 90 THR C C 13 174.035 0.2 . . . . . . 170 THR C . 19064 1 367 . 1 1 90 90 THR CA C 13 57.971 0.2 . . . . . . 170 THR CA . 19064 1 368 . 1 1 90 90 THR CB C 13 71.041 0.2 . . . . . . 170 THR CB . 19064 1 369 . 1 1 90 90 THR N N 15 110.6 0.2 . . . . . . 170 THR N . 19064 1 370 . 1 1 91 91 ASN H H 1 8.623 0.02 . . . . . . 171 ASN HN . 19064 1 371 . 1 1 91 91 ASN C C 13 174.17 0.2 . . . . . . 171 ASN C . 19064 1 372 . 1 1 91 91 ASN CA C 13 51.772 0.2 . . . . . . 171 ASN CA . 19064 1 373 . 1 1 91 91 ASN CB C 13 41.54 0.2 . . . . . . 171 ASN CB . 19064 1 374 . 1 1 91 91 ASN N N 15 116 0.2 . . . . . . 171 ASN N . 19064 1 375 . 1 1 92 92 TRP H H 1 8.441 0.02 . . . . . . 172 TRP HN . 19064 1 376 . 1 1 92 92 TRP C C 13 177.352 0.2 . . . . . . 172 TRP C . 19064 1 377 . 1 1 92 92 TRP CA C 13 57.971 0.2 . . . . . . 172 TRP CA . 19064 1 378 . 1 1 92 92 TRP CB C 13 30.263 0.2 . . . . . . 172 TRP CB . 19064 1 379 . 1 1 92 92 TRP N N 15 122.4 0.2 . . . . . . 172 TRP N . 19064 1 380 . 1 1 93 93 ALA H H 1 8.794 0.02 . . . . . . 173 ALA HN . 19064 1 381 . 1 1 93 93 ALA C C 13 176.834 0.2 . . . . . . 173 ALA C . 19064 1 382 . 1 1 93 93 ALA CA C 13 51.548 0.2 . . . . . . 173 ALA CA . 19064 1 383 . 1 1 93 93 ALA CB C 13 20.031 0.2 . . . . . . 173 ALA CB . 19064 1 384 . 1 1 93 93 ALA N N 15 126.331 0.2 . . . . . . 173 ALA N . 19064 1 385 . 1 1 94 94 THR H H 1 8.447 0.02 . . . . . . 174 THR HN . 19064 1 386 . 1 1 94 94 THR C C 13 176.101 0.2 . . . . . . 174 THR C . 19064 1 387 . 1 1 94 94 THR CA C 13 61.705 0.2 . . . . . . 174 THR CA . 19064 1 388 . 1 1 94 94 THR CB C 13 69.622 0.2 . . . . . . 174 THR CB . 19064 1 389 . 1 1 94 94 THR N N 15 117.36 0.2 . . . . . . 174 THR N . 19064 1 390 . 1 1 95 95 ARG H H 1 8.348 0.02 . . . . . . 175 ARG HN . 19064 1 391 . 1 1 95 95 ARG C C 13 174.492 0.2 . . . . . . 175 ARG C . 19064 1 392 . 1 1 95 95 ARG CA C 13 54.834 0.2 . . . . . . 175 ARG CA . 19064 1 393 . 1 1 95 95 ARG CB C 13 30.935 0.2 . . . . . . 175 ARG CB . 19064 1 394 . 1 1 95 95 ARG N N 15 123.5 0.2 . . . . . . 175 ARG N . 19064 1 395 . 1 1 96 96 LYS H H 1 8.403 0.02 . . . . . . 176 LYS HN . 19064 1 396 . 1 1 96 96 LYS CA C 13 53.789 0.2 . . . . . . 176 LYS CA . 19064 1 397 . 1 1 96 96 LYS CB C 13 31.831 0.2 . . . . . . 176 LYS CB . 19064 1 398 . 1 1 96 96 LYS N N 15 125.377 0.2 . . . . . . 176 LYS N . 19064 1 399 . 1 1 98 98 PRO C C 13 175.929 0.2 . . . . . . 178 PRO C . 19064 1 400 . 1 1 98 98 PRO CA C 13 62.079 0.2 . . . . . . 178 PRO CA . 19064 1 401 . 1 1 98 98 PRO CB C 13 31.607 0.2 . . . . . . 178 PRO CB . 19064 1 402 . 1 1 99 99 ALA H H 1 8.147 0.02 . . . . . . 179 ALA HN . 19064 1 403 . 1 1 99 99 ALA CA C 13 49.905 0.2 . . . . . . 179 ALA CA . 19064 1 404 . 1 1 99 99 ALA CB C 13 17.791 0.2 . . . . . . 179 ALA CB . 19064 1 405 . 1 1 99 99 ALA N N 15 126.112 0.2 . . . . . . 179 ALA N . 19064 1 406 . 1 1 100 100 PRO C C 13 175.85 0.2 . . . . . . 180 PRO C . 19064 1 407 . 1 1 100 100 PRO CA C 13 62.751 0.2 . . . . . . 180 PRO CA . 19064 1 408 . 1 1 100 100 PRO CB C 13 31.682 0.2 . . . . . . 180 PRO CB . 19064 1 409 . 1 1 101 101 LYS H H 1 7.777 0.02 . . . . . . 181 LYS HN . 19064 1 410 . 1 1 101 101 LYS CA C 13 57.224 0.2 . . . . . . 181 LYS CA . 19064 1 411 . 1 1 101 101 LYS CB C 13 33.549 0.2 . . . . . . 181 LYS CB . 19064 1 412 . 1 1 101 101 LYS N N 15 127.1 0.2 . . . . . . 181 LYS N . 19064 1 stop_ save_