data_17141 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17141 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for HYL1-dsRBD2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-08-22 _Entry.Accession_date 2010-08-22 _Entry.Last_release_date 2010-09-28 _Entry.Original_release_date 2010-09-28 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _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 Rodolfo Rasia . M. . 17141 2 Julieta Mateos . L. . 17141 3 Nicolas Bologna . G. . 17141 4 Paula Burdisso . . . 17141 5 Lionel Imbert . . . 17141 6 Javier Palatnik . F. . 17141 7 Jerome Boisbouvier . . . 17141 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Instituto de Biolog a Molecular y Celular de Rosario' . 17141 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17141 RDCs 1 17141 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 195 17141 '15N chemical shifts' 63 17141 '1H chemical shifts' 63 17141 'residual dipolar couplings' 181 17141 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 . . 2010-09-28 2010-08-22 original author . 17141 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17141 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20735118 _Citation.Full_citation . _Citation.Title 'Structure and RNA Interactions of the Plant MicroRNA Processing-Associated Protein HYL1.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 49 _Citation.Journal_issue 38 _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 8237 _Citation.Page_last 8239 _Citation.Year 2010 _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 Rodolfo Rasia . M. . 17141 1 2 Julieta Mateos . . . 17141 1 3 Nicolas Bologna . G. . 17141 1 4 Paula Burdisso . . . 17141 1 5 Lionel Imbert . . . 17141 1 6 Javier Palatnik . F. . 17141 1 7 Jerome Boisbouvier . . . 17141 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID dsRBD 17141 1 miRNA 17141 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17141 _Assembly.ID 1 _Assembly.Name 'HYL1 second dsRBD' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 8463.7 _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 'HYL1 second dsRBD' 1 $hyl1-2 A . yes native no no . . . 17141 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_hyl1-2 _Entity.Sf_category entity _Entity.Sf_framecode hyl1-2 _Entity.Entry_ID 17141 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name hyl1-2 _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 ; GHMHETGLCKNLLQEYAQKM NYAIPLYQCQKVETLGRVTQ FTCTVEIGGIKYTGAATRTK KDAEISAGRTALLAIQS ; _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 77 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 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 PDB 2L2M . "Solution Structure Of The Second Dsrbd Of Hyl1" . . . . . 100.00 77 100.00 100.00 4.15e-48 . . . . 17141 1 2 no PDB 3ADJ . "Structure Of Arabidopsis Hyl1 And Its Molecular Implications For Mirna Processing" . . . . . 92.21 76 100.00 100.00 1.42e-42 . . . . 17141 1 3 no DBJ BAH57238 . "AT1G09700 [Arabidopsis thaliana]" . . . . . 97.40 403 98.67 100.00 2.26e-43 . . . . 17141 1 4 no GB AAB60726 . "F21M12.9 gene product [Arabidopsis thaliana]" . . . . . 97.40 419 98.67 100.00 1.96e-43 . . . . 17141 1 5 no GB AAG49890 . "hyponastic leave 1 [Arabidopsis thaliana]" . . . . . 97.40 419 98.67 100.00 1.96e-43 . . . . 17141 1 6 no GB AAK96822 . "Unknown protein [Arabidopsis thaliana]" . . . . . 97.40 419 98.67 100.00 1.96e-43 . . . . 17141 1 7 no GB AAM10087 . "unknown protein [Arabidopsis thaliana]" . . . . . 97.40 419 98.67 100.00 1.96e-43 . . . . 17141 1 8 no GB AEE28481 . "dsRNA-binding hyponastic leave 1 protein [Arabidopsis thaliana]" . . . . . 97.40 419 98.67 100.00 1.96e-43 . . . . 17141 1 9 no REF NP_563850 . "double-stranded RNA-binding protein 1 [Arabidopsis thaliana]" . . . . . 97.40 419 98.67 100.00 1.96e-43 . . . . 17141 1 10 no SP O04492 . "RecName: Full=Double-stranded RNA-binding protein 1; AltName: Full=Protein HYPONASTIC LEAVES 1; AltName: Full=dsRNA-binding pro" . . . . . 97.40 419 98.67 100.00 1.96e-43 . . . . 17141 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'double-stranded RNA binding, protein binding, miRNA binding;' 17141 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 . GLY . 17141 1 2 . HIS . 17141 1 3 . MET . 17141 1 4 . HIS . 17141 1 5 . GLU . 17141 1 6 . THR . 17141 1 7 . GLY . 17141 1 8 . LEU . 17141 1 9 . CYS . 17141 1 10 . LYS . 17141 1 11 . ASN . 17141 1 12 . LEU . 17141 1 13 . LEU . 17141 1 14 . GLN . 17141 1 15 . GLU . 17141 1 16 . TYR . 17141 1 17 . ALA . 17141 1 18 . GLN . 17141 1 19 . LYS . 17141 1 20 . MET . 17141 1 21 . ASN . 17141 1 22 . TYR . 17141 1 23 . ALA . 17141 1 24 . ILE . 17141 1 25 . PRO . 17141 1 26 . LEU . 17141 1 27 . TYR . 17141 1 28 . GLN . 17141 1 29 . CYS . 17141 1 30 . GLN . 17141 1 31 . LYS . 17141 1 32 . VAL . 17141 1 33 . GLU . 17141 1 34 . THR . 17141 1 35 . LEU . 17141 1 36 . GLY . 17141 1 37 . ARG . 17141 1 38 . VAL . 17141 1 39 . THR . 17141 1 40 . GLN . 17141 1 41 . PHE . 17141 1 42 . THR . 17141 1 43 . CYS . 17141 1 44 . THR . 17141 1 45 . VAL . 17141 1 46 . GLU . 17141 1 47 . ILE . 17141 1 48 . GLY . 17141 1 49 . GLY . 17141 1 50 . ILE . 17141 1 51 . LYS . 17141 1 52 . TYR . 17141 1 53 . THR . 17141 1 54 . GLY . 17141 1 55 . ALA . 17141 1 56 . ALA . 17141 1 57 . THR . 17141 1 58 . ARG . 17141 1 59 . THR . 17141 1 60 . LYS . 17141 1 61 . LYS . 17141 1 62 . ASP . 17141 1 63 . ALA . 17141 1 64 . GLU . 17141 1 65 . ILE . 17141 1 66 . SER . 17141 1 67 . ALA . 17141 1 68 . GLY . 17141 1 69 . ARG . 17141 1 70 . THR . 17141 1 71 . ALA . 17141 1 72 . LEU . 17141 1 73 . LEU . 17141 1 74 . ALA . 17141 1 75 . ILE . 17141 1 76 . GLN . 17141 1 77 . SER . 17141 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 17141 1 . HIS 2 2 17141 1 . MET 3 3 17141 1 . HIS 4 4 17141 1 . GLU 5 5 17141 1 . THR 6 6 17141 1 . GLY 7 7 17141 1 . LEU 8 8 17141 1 . CYS 9 9 17141 1 . LYS 10 10 17141 1 . ASN 11 11 17141 1 . LEU 12 12 17141 1 . LEU 13 13 17141 1 . GLN 14 14 17141 1 . GLU 15 15 17141 1 . TYR 16 16 17141 1 . ALA 17 17 17141 1 . GLN 18 18 17141 1 . LYS 19 19 17141 1 . MET 20 20 17141 1 . ASN 21 21 17141 1 . TYR 22 22 17141 1 . ALA 23 23 17141 1 . ILE 24 24 17141 1 . PRO 25 25 17141 1 . LEU 26 26 17141 1 . TYR 27 27 17141 1 . GLN 28 28 17141 1 . CYS 29 29 17141 1 . GLN 30 30 17141 1 . LYS 31 31 17141 1 . VAL 32 32 17141 1 . GLU 33 33 17141 1 . THR 34 34 17141 1 . LEU 35 35 17141 1 . GLY 36 36 17141 1 . ARG 37 37 17141 1 . VAL 38 38 17141 1 . THR 39 39 17141 1 . GLN 40 40 17141 1 . PHE 41 41 17141 1 . THR 42 42 17141 1 . CYS 43 43 17141 1 . THR 44 44 17141 1 . VAL 45 45 17141 1 . GLU 46 46 17141 1 . ILE 47 47 17141 1 . GLY 48 48 17141 1 . GLY 49 49 17141 1 . ILE 50 50 17141 1 . LYS 51 51 17141 1 . TYR 52 52 17141 1 . THR 53 53 17141 1 . GLY 54 54 17141 1 . ALA 55 55 17141 1 . ALA 56 56 17141 1 . THR 57 57 17141 1 . ARG 58 58 17141 1 . THR 59 59 17141 1 . LYS 60 60 17141 1 . LYS 61 61 17141 1 . ASP 62 62 17141 1 . ALA 63 63 17141 1 . GLU 64 64 17141 1 . ILE 65 65 17141 1 . SER 66 66 17141 1 . ALA 67 67 17141 1 . GLY 68 68 17141 1 . ARG 69 69 17141 1 . THR 70 70 17141 1 . ALA 71 71 17141 1 . LEU 72 72 17141 1 . LEU 73 73 17141 1 . ALA 74 74 17141 1 . ILE 75 75 17141 1 . GLN 76 76 17141 1 . SER 77 77 17141 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 17141 _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 $hyl1-2 . 3702 organism . 'Arabidopsis thaliana' 'thale cress' . . Eukaryota Viridiplantae Arabidopsis thaliana . . . . . . . . . . . . . . . . . . . . . 17141 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 17141 _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 $hyl1-2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET-TEV . . . . . . 17141 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17141 _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 hyl1-2 '[U-100% 13C; U-100% 15N]' . . 1 $hyl1-2 . . 0.8 . . mM . . . . 17141 1 2 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 17141 1 3 'sodium phosphate' 'natural abundance' . . . . . . 100 . . mM . . . . 17141 1 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 17141 1 5 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 17141 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17141 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17141 1 stop_ save_ save_sample_aligned _Sample.Sf_category sample _Sample.Sf_framecode sample_aligned _Sample.Entry_ID 17141 _Sample.ID 2 _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 hyl1-2 '[U-100% 13C; U-100% 15N]' . . 1 $hyl1-2 . . 0.8 . . mM . . . . 17141 2 2 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 17141 2 3 'sodium phosphate' 'natural abundance' . . . . . . 100 . . mM . . . . 17141 2 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 17141 2 5 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 17141 2 6 C12E5 'natural abundance' . . . . . . 5 . . % . . . . 17141 2 7 Hexanol 'natural abundance' . . . . . . 0.2 . . % . . . . 17141 2 8 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17141 2 9 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17141 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 17141 _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 pH 7.0 . pH 17141 1 pressure 1 . atm 17141 1 temperature 298 . K 17141 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17141 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17141 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17141 1 processing 17141 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 17141 _Software.ID 2 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 17141 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17141 2 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 17141 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model DirectDrive _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 17141 _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 DirectDrive . 600 . . . 17141 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 17141 _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 . . . . . . . . . . . . . . . . 17141 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17141 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17141 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17141 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17141 1 6 '3D HN(COCA)CB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17141 1 7 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17141 1 8 '3D HNCO JCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17141 1 9 '3D HNCO JNH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17141 1 10 '3D HNCOCA JCAHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17141 1 11 '3D HNCO JCACO' no . . . . . . . . . . 2 $sample_aligned anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17141 1 12 '3D HNCO JNH' no . . . . . . . . . . 2 $sample_aligned anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17141 1 13 '3D HNCOCA JCAHA' no . . . . . . . . . . 2 $sample_aligned anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17141 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 17141 _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 water protons . . . . ppm 4.77 internal indirect 0.251449530 . . . . . . . . . 17141 1 H 1 water protons . . . . ppm 4.77 internal direct 1.0 . . . . . . . . . 17141 1 N 15 water protons . . . . ppm 4.77 internal indirect 0.101329118 . . . . . . . . . 17141 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 17141 _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' . . . 17141 1 2 '3D HNCO' . . . 17141 1 3 '3D HNCA' . . . 17141 1 4 '3D HNCACB' . . . 17141 1 5 '3D HN(CO)CA' . . . 17141 1 6 '3D HN(COCA)CB' . . . 17141 1 7 '3D HN(CA)CO' . . . 17141 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $NMRPipe . . 17141 1 2 $NMRView . . 17141 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 7 7 GLY CA C 13 46.000 0.300 . 1 . . . . 7 G CA . 17141 1 2 . 1 1 7 7 GLY C C 13 174.700 0.300 . 1 . . . . 7 G C . 17141 1 3 . 1 1 8 8 LEU N N 15 121.850 0.300 . 1 . . . . 8 L N . 17141 1 4 . 1 1 8 8 LEU H H 1 7.990 0.030 . 1 . . . . 8 L HN . 17141 1 5 . 1 1 8 8 LEU CA C 13 59.000 0.300 . 1 . . . . 8 L CA . 17141 1 6 . 1 1 8 8 LEU CB C 13 42.100 0.300 . 1 . . . . 8 L CB . 17141 1 7 . 1 1 11 11 ASN CA C 13 56.100 0.300 . 1 . . . . 11 N CA . 17141 1 8 . 1 1 11 11 ASN CB C 13 38.300 0.300 . 1 . . . . 11 N CB . 17141 1 9 . 1 1 11 11 ASN C C 13 177.500 0.300 . 1 . . . . 11 N C . 17141 1 10 . 1 1 12 12 LEU N N 15 121.130 0.300 . 1 . . . . 12 L N . 17141 1 11 . 1 1 12 12 LEU H H 1 8.280 0.030 . 1 . . . . 12 L HN . 17141 1 12 . 1 1 12 12 LEU CA C 13 58.000 0.300 . 1 . . . . 12 L CA . 17141 1 13 . 1 1 12 12 LEU CB C 13 42.300 0.300 . 1 . . . . 12 L CB . 17141 1 14 . 1 1 12 12 LEU C C 13 180.650 0.300 . 1 . . . . 12 L C . 17141 1 15 . 1 1 13 13 LEU N N 15 120.250 0.300 . 1 . . . . 13 L N . 17141 1 16 . 1 1 13 13 LEU H H 1 8.240 0.030 . 1 . . . . 13 L HN . 17141 1 17 . 1 1 13 13 LEU CA C 13 57.800 0.300 . 1 . . . . 13 L CA . 17141 1 18 . 1 1 13 13 LEU CB C 13 41.700 0.300 . 1 . . . . 13 L CB . 17141 1 19 . 1 1 13 13 LEU C C 13 178.450 0.300 . 1 . . . . 13 L C . 17141 1 20 . 1 1 14 14 GLN N N 15 119.290 0.300 . 1 . . . . 14 Q N . 17141 1 21 . 1 1 14 14 GLN H H 1 7.950 0.030 . 1 . . . . 14 Q HN . 17141 1 22 . 1 1 14 14 GLN CA C 13 59.800 0.300 . 1 . . . . 14 Q CA . 17141 1 23 . 1 1 14 14 GLN CB C 13 28.350 0.300 . 1 . . . . 14 Q CB . 17141 1 24 . 1 1 14 14 GLN C C 13 178.600 0.300 . 1 . . . . 14 Q C . 17141 1 25 . 1 1 15 15 GLU N N 15 120.600 0.300 . 1 . . . . 15 E N . 17141 1 26 . 1 1 15 15 GLU H H 1 8.320 0.030 . 1 . . . . 15 E HN . 17141 1 27 . 1 1 15 15 GLU CA C 13 59.600 0.300 . 1 . . . . 15 E CA . 17141 1 28 . 1 1 15 15 GLU CB C 13 29.800 0.300 . 1 . . . . 15 E CB . 17141 1 29 . 1 1 15 15 GLU C C 13 178.850 0.300 . 1 . . . . 15 E C . 17141 1 30 . 1 1 16 16 TYR N N 15 121.440 0.300 . 1 . . . . 16 Y N . 17141 1 31 . 1 1 16 16 TYR H H 1 8.050 0.030 . 1 . . . . 16 Y HN . 17141 1 32 . 1 1 16 16 TYR CA C 13 61.500 0.300 . 1 . . . . 16 Y CA . 17141 1 33 . 1 1 16 16 TYR CB C 13 38.250 0.300 . 1 . . . . 16 Y CB . 17141 1 34 . 1 1 16 16 TYR C C 13 176.400 0.300 . 1 . . . . 16 Y C . 17141 1 35 . 1 1 17 17 ALA N N 15 120.120 0.300 . 1 . . . . 17 A N . 17141 1 36 . 1 1 17 17 ALA H H 1 8.390 0.030 . 1 . . . . 17 A HN . 17141 1 37 . 1 1 17 17 ALA CA C 13 55.650 0.300 . 1 . . . . 17 A CA . 17141 1 38 . 1 1 17 17 ALA CB C 13 18.100 0.300 . 1 . . . . 17 A CB . 17141 1 39 . 1 1 17 17 ALA C C 13 179.000 0.300 . 1 . . . . 17 A C . 17141 1 40 . 1 1 18 18 GLN N N 15 115.810 0.300 . 1 . . . . 18 Q N . 17141 1 41 . 1 1 18 18 GLN H H 1 7.970 0.030 . 1 . . . . 18 Q HN . 17141 1 42 . 1 1 18 18 GLN CB C 13 28.700 0.300 . 1 . . . . 18 Q CB . 17141 1 43 . 1 1 18 18 GLN C C 13 179.850 0.300 . 1 . . . . 18 Q C . 17141 1 44 . 1 1 19 19 LYS N N 15 121.560 0.300 . 1 . . . . 19 K N . 17141 1 45 . 1 1 19 19 LYS H H 1 7.990 0.030 . 1 . . . . 19 K HN . 17141 1 46 . 1 1 19 19 LYS CA C 13 59.000 0.300 . 1 . . . . 19 K CA . 17141 1 47 . 1 1 19 19 LYS CB C 13 32.400 0.300 . 1 . . . . 19 K CB . 17141 1 48 . 1 1 19 19 LYS C C 13 178.000 0.300 . 1 . . . . 19 K C . 17141 1 49 . 1 1 20 20 MET N N 15 114.720 0.300 . 1 . . . . 20 M N . 17141 1 50 . 1 1 20 20 MET H H 1 7.230 0.030 . 1 . . . . 20 M HN . 17141 1 51 . 1 1 20 20 MET CA C 13 53.000 0.300 . 1 . . . . 20 M CA . 17141 1 52 . 1 1 20 20 MET CB C 13 29.650 0.300 . 1 . . . . 20 M CB . 17141 1 53 . 1 1 20 20 MET C C 13 175.300 0.300 . 1 . . . . 20 M C . 17141 1 54 . 1 1 21 21 ASN N N 15 114.180 0.300 . 1 . . . . 21 N N . 17141 1 55 . 1 1 21 21 ASN H H 1 7.660 0.030 . 1 . . . . 21 N HN . 17141 1 56 . 1 1 21 21 ASN CA C 13 54.600 0.300 . 1 . . . . 21 N CA . 17141 1 57 . 1 1 21 21 ASN CB C 13 37.250 0.300 . 1 . . . . 21 N CB . 17141 1 58 . 1 1 21 21 ASN C C 13 175.200 0.300 . 1 . . . . 21 N C . 17141 1 59 . 1 1 22 22 TYR N N 15 116.950 0.300 . 1 . . . . 22 Y N . 17141 1 60 . 1 1 22 22 TYR H H 1 8.450 0.030 . 1 . . . . 22 Y HN . 17141 1 61 . 1 1 22 22 TYR CA C 13 52.900 0.300 . 1 . . . . 22 Y CA . 17141 1 62 . 1 1 22 22 TYR CB C 13 39.450 0.300 . 1 . . . . 22 Y CB . 17141 1 63 . 1 1 22 22 TYR C C 13 176.100 0.300 . 1 . . . . 22 Y C . 17141 1 64 . 1 1 23 23 ALA N N 15 122.380 0.300 . 1 . . . . 23 A N . 17141 1 65 . 1 1 23 23 ALA H H 1 8.290 0.030 . 1 . . . . 23 A HN . 17141 1 66 . 1 1 23 23 ALA CA C 13 51.800 0.300 . 1 . . . . 23 A CA . 17141 1 67 . 1 1 23 23 ALA CB C 13 19.600 0.300 . 1 . . . . 23 A CB . 17141 1 68 . 1 1 23 23 ALA C C 13 177.000 0.300 . 1 . . . . 23 A C . 17141 1 69 . 1 1 24 24 ILE N N 15 119.790 0.300 . 1 . . . . 24 I N . 17141 1 70 . 1 1 24 24 ILE H H 1 7.990 0.030 . 1 . . . . 24 I HN . 17141 1 71 . 1 1 24 24 ILE CA C 13 60.100 0.300 . 1 . . . . 24 I CA . 17141 1 72 . 1 1 24 24 ILE CB C 13 38.600 0.300 . 1 . . . . 24 I CB . 17141 1 73 . 1 1 24 24 ILE C C 13 175.300 0.300 . 1 . . . . 24 I C . 17141 1 74 . 1 1 25 25 PRO CA C 13 63.800 0.300 . 1 . . . . 25 P CA . 17141 1 75 . 1 1 25 25 PRO CB C 13 32.800 0.300 . 1 . . . . 25 P CB . 17141 1 76 . 1 1 25 25 PRO C C 13 174.800 0.300 . 1 . . . . 25 P C . 17141 1 77 . 1 1 26 26 LEU N N 15 124.370 0.300 . 1 . . . . 26 L N . 17141 1 78 . 1 1 26 26 LEU H H 1 7.710 0.030 . 1 . . . . 26 L HN . 17141 1 79 . 1 1 26 26 LEU CA C 13 53.800 0.300 . 1 . . . . 26 L CA . 17141 1 80 . 1 1 26 26 LEU CB C 13 44.950 0.300 . 1 . . . . 26 L CB . 17141 1 81 . 1 1 26 26 LEU C C 13 175.850 0.300 . 1 . . . . 26 L C . 17141 1 82 . 1 1 27 27 TYR N N 15 126.330 0.300 . 1 . . . . 27 Y N . 17141 1 83 . 1 1 27 27 TYR H H 1 9.170 0.030 . 1 . . . . 27 Y HN . 17141 1 84 . 1 1 27 27 TYR CA C 13 57.650 0.300 . 1 . . . . 27 Y CA . 17141 1 85 . 1 1 27 27 TYR CB C 13 40.250 0.300 . 1 . . . . 27 Y CB . 17141 1 86 . 1 1 27 27 TYR C C 13 175.900 0.300 . 1 . . . . 27 Y C . 17141 1 87 . 1 1 28 28 GLN N N 15 123.270 0.300 . 1 . . . . 28 Q N . 17141 1 88 . 1 1 28 28 GLN H H 1 8.870 0.030 . 1 . . . . 28 Q HN . 17141 1 89 . 1 1 28 28 GLN CA C 13 55.500 0.300 . 1 . . . . 28 Q CA . 17141 1 90 . 1 1 28 28 GLN CB C 13 31.700 0.300 . 1 . . . . 28 Q CB . 17141 1 91 . 1 1 28 28 GLN C C 13 175.300 0.300 . 1 . . . . 28 Q C . 17141 1 92 . 1 1 29 29 CYS CA C 13 56.100 0.300 . 1 . . . . 29 C CA . 17141 1 93 . 1 1 29 29 CYS CB C 13 49.600 0.300 . 1 . . . . 29 C CB . 17141 1 94 . 1 1 29 29 CYS C C 13 173.100 0.300 . 1 . . . . 29 C C . 17141 1 95 . 1 1 30 30 GLN N N 15 120.920 0.300 . 1 . . . . 30 Q N . 17141 1 96 . 1 1 30 30 GLN H H 1 9.260 0.030 . 1 . . . . 30 Q HN . 17141 1 97 . 1 1 30 30 GLN CA C 13 54.500 0.300 . 1 . . . . 30 Q CA . 17141 1 98 . 1 1 30 30 GLN CB C 13 32.400 0.300 . 1 . . . . 30 Q CB . 17141 1 99 . 1 1 30 30 GLN C C 13 173.600 0.300 . 1 . . . . 30 Q C . 17141 1 100 . 1 1 31 31 LYS N N 15 123.470 0.300 . 1 . . . . 31 K N . 17141 1 101 . 1 1 31 31 LYS H H 1 8.520 0.030 . 1 . . . . 31 K HN . 17141 1 102 . 1 1 31 31 LYS CA C 13 55.200 0.300 . 1 . . . . 31 K CA . 17141 1 103 . 1 1 31 31 LYS CB C 13 34.350 0.300 . 1 . . . . 31 K CB . 17141 1 104 . 1 1 31 31 LYS C C 13 176.000 0.300 . 1 . . . . 31 K C . 17141 1 105 . 1 1 32 32 VAL N N 15 125.250 0.300 . 1 . . . . 32 V N . 17141 1 106 . 1 1 32 32 VAL H H 1 8.780 0.030 . 1 . . . . 32 V HN . 17141 1 107 . 1 1 32 32 VAL CA C 13 61.300 0.300 . 1 . . . . 32 V CA . 17141 1 108 . 1 1 32 32 VAL CB C 13 34.350 0.300 . 1 . . . . 32 V CB . 17141 1 109 . 1 1 32 32 VAL C C 13 174.700 0.300 . 1 . . . . 32 V C . 17141 1 110 . 1 1 33 33 GLU N N 15 126.810 0.300 . 1 . . . . 33 E N . 17141 1 111 . 1 1 33 33 GLU H H 1 8.610 0.030 . 1 . . . . 33 E HN . 17141 1 112 . 1 1 33 33 GLU CA C 13 55.150 0.300 . 1 . . . . 33 E CA . 17141 1 113 . 1 1 33 33 GLU CB C 13 31.700 0.300 . 1 . . . . 33 E CB . 17141 1 114 . 1 1 33 33 GLU C C 13 176.100 0.300 . 1 . . . . 33 E C . 17141 1 115 . 1 1 34 34 THR N N 15 118.420 0.300 . 1 . . . . 34 T N . 17141 1 116 . 1 1 34 34 THR H H 1 8.560 0.030 . 1 . . . . 34 T HN . 17141 1 117 . 1 1 34 34 THR CA C 13 60.900 0.300 . 1 . . . . 34 T CA . 17141 1 118 . 1 1 34 34 THR CB C 13 70.800 0.300 . 1 . . . . 34 T CB . 17141 1 119 . 1 1 34 34 THR C C 13 174.300 0.300 . 1 . . . . 34 T C . 17141 1 120 . 1 1 36 36 GLY CA C 13 45.500 0.300 . 1 . . . . 36 G CA . 17141 1 121 . 1 1 36 36 GLY C C 13 174.000 0.300 . 1 . . . . 36 G C . 17141 1 122 . 1 1 37 37 ARG N N 15 117.670 0.300 . 1 . . . . 37 R N . 17141 1 123 . 1 1 37 37 ARG H H 1 8.160 0.030 . 1 . . . . 37 R HN . 17141 1 124 . 1 1 37 37 ARG CA C 13 55.600 0.300 . 1 . . . . 37 R CA . 17141 1 125 . 1 1 37 37 ARG CB C 13 30.450 0.300 . 1 . . . . 37 R CB . 17141 1 126 . 1 1 37 37 ARG C C 13 175.700 0.300 . 1 . . . . 37 R C . 17141 1 127 . 1 1 38 38 VAL N N 15 120.350 0.300 . 1 . . . . 38 V N . 17141 1 128 . 1 1 38 38 VAL H H 1 7.790 0.030 . 1 . . . . 38 V HN . 17141 1 129 . 1 1 38 38 VAL CA C 13 62.200 0.300 . 1 . . . . 38 V CA . 17141 1 130 . 1 1 38 38 VAL CB C 13 32.950 0.300 . 1 . . . . 38 V CB . 17141 1 131 . 1 1 38 38 VAL C C 13 176.200 0.300 . 1 . . . . 38 V C . 17141 1 132 . 1 1 39 39 THR N N 15 123.680 0.300 . 1 . . . . 39 T N . 17141 1 133 . 1 1 39 39 THR H H 1 8.550 0.030 . 1 . . . . 39 T HN . 17141 1 134 . 1 1 39 39 THR CA C 13 63.450 0.300 . 1 . . . . 39 T CA . 17141 1 135 . 1 1 39 39 THR CB C 13 69.350 0.300 . 1 . . . . 39 T CB . 17141 1 136 . 1 1 39 39 THR C C 13 173.700 0.300 . 1 . . . . 39 T C . 17141 1 137 . 1 1 40 40 GLN N N 15 122.670 0.300 . 1 . . . . 40 Q N . 17141 1 138 . 1 1 40 40 GLN H H 1 8.250 0.030 . 1 . . . . 40 Q HN . 17141 1 139 . 1 1 40 40 GLN CA C 13 54.250 0.300 . 1 . . . . 40 Q CA . 17141 1 140 . 1 1 40 40 GLN CB C 13 33.950 0.300 . 1 . . . . 40 Q CB . 17141 1 141 . 1 1 40 40 GLN C C 13 173.800 0.300 . 1 . . . . 40 Q C . 17141 1 142 . 1 1 41 41 PHE N N 15 119.660 0.300 . 1 . . . . 41 F N . 17141 1 143 . 1 1 41 41 PHE H H 1 9.330 0.030 . 1 . . . . 41 F HN . 17141 1 144 . 1 1 41 41 PHE CA C 13 57.100 0.300 . 1 . . . . 41 F CA . 17141 1 145 . 1 1 41 41 PHE CB C 13 44.000 0.300 . 1 . . . . 41 F CB . 17141 1 146 . 1 1 41 41 PHE C C 13 174.850 0.300 . 1 . . . . 41 F C . 17141 1 147 . 1 1 42 42 THR N N 15 112.280 0.300 . 1 . . . . 42 T N . 17141 1 148 . 1 1 42 42 THR H H 1 8.500 0.030 . 1 . . . . 42 T HN . 17141 1 149 . 1 1 42 42 THR CA C 13 61.500 0.300 . 1 . . . . 42 T CA . 17141 1 150 . 1 1 42 42 THR CB C 13 71.450 0.300 . 1 . . . . 42 T CB . 17141 1 151 . 1 1 42 42 THR C C 13 174.300 0.300 . 1 . . . . 42 T C . 17141 1 152 . 1 1 43 43 CYS N N 15 123.420 0.300 . 1 . . . . 43 C N . 17141 1 153 . 1 1 43 43 CYS H H 1 9.820 0.030 . 1 . . . . 43 C HN . 17141 1 154 . 1 1 43 43 CYS CA C 13 55.950 0.300 . 1 . . . . 43 C CA . 17141 1 155 . 1 1 43 43 CYS CB C 13 49.200 0.300 . 1 . . . . 43 C CB . 17141 1 156 . 1 1 43 43 CYS C C 13 172.100 0.300 . 1 . . . . 43 C C . 17141 1 157 . 1 1 44 44 THR N N 15 114.230 0.300 . 1 . . . . 44 T N . 17141 1 158 . 1 1 44 44 THR H H 1 9.280 0.030 . 1 . . . . 44 T HN . 17141 1 159 . 1 1 44 44 THR CA C 13 59.900 0.300 . 1 . . . . 44 T CA . 17141 1 160 . 1 1 44 44 THR CB C 13 72.050 0.300 . 1 . . . . 44 T CB . 17141 1 161 . 1 1 44 44 THR C C 13 173.900 0.300 . 1 . . . . 44 T C . 17141 1 162 . 1 1 45 45 VAL N N 15 122.140 0.300 . 1 . . . . 45 V N . 17141 1 163 . 1 1 45 45 VAL H H 1 9.160 0.030 . 1 . . . . 45 V HN . 17141 1 164 . 1 1 45 45 VAL CA C 13 58.550 0.300 . 1 . . . . 45 V CA . 17141 1 165 . 1 1 45 45 VAL CB C 13 35.600 0.300 . 1 . . . . 45 V CB . 17141 1 166 . 1 1 45 45 VAL C C 13 172.200 0.300 . 1 . . . . 45 V C . 17141 1 167 . 1 1 46 46 GLU N N 15 129.420 0.300 . 1 . . . . 46 E N . 17141 1 168 . 1 1 46 46 GLU H H 1 8.530 0.030 . 1 . . . . 46 E HN . 17141 1 169 . 1 1 46 46 GLU CA C 13 54.200 0.300 . 1 . . . . 46 E CA . 17141 1 170 . 1 1 46 46 GLU CB C 13 32.100 0.300 . 1 . . . . 46 E CB . 17141 1 171 . 1 1 46 46 GLU C C 13 176.000 0.300 . 1 . . . . 46 E C . 17141 1 172 . 1 1 47 47 ILE N N 15 125.200 0.300 . 1 . . . . 47 I N . 17141 1 173 . 1 1 47 47 ILE H H 1 8.970 0.030 . 1 . . . . 47 I HN . 17141 1 174 . 1 1 47 47 ILE CA C 13 58.600 0.300 . 1 . . . . 47 I CA . 17141 1 175 . 1 1 47 47 ILE CB C 13 40.650 0.300 . 1 . . . . 47 I CB . 17141 1 176 . 1 1 47 47 ILE C C 13 176.900 0.300 . 1 . . . . 47 I C . 17141 1 177 . 1 1 48 48 GLY N N 15 119.540 0.300 . 1 . . . . 48 G N . 17141 1 178 . 1 1 48 48 GLY H H 1 9.540 0.030 . 1 . . . . 48 G HN . 17141 1 179 . 1 1 48 48 GLY CA C 13 46.200 0.300 . 1 . . . . 48 G CA . 17141 1 180 . 1 1 48 48 GLY C C 13 175.100 0.300 . 1 . . . . 48 G C . 17141 1 181 . 1 1 49 49 GLY N N 15 104.900 0.300 . 1 . . . . 49 G N . 17141 1 182 . 1 1 49 49 GLY H H 1 8.520 0.030 . 1 . . . . 49 G HN . 17141 1 183 . 1 1 49 49 GLY CA C 13 44.850 0.300 . 1 . . . . 49 G CA . 17141 1 184 . 1 1 49 49 GLY C C 13 173.200 0.300 . 1 . . . . 49 G C . 17141 1 185 . 1 1 50 50 ILE N N 15 122.860 0.300 . 1 . . . . 50 I N . 17141 1 186 . 1 1 50 50 ILE H H 1 7.430 0.030 . 1 . . . . 50 I HN . 17141 1 187 . 1 1 50 50 ILE CA C 13 59.750 0.300 . 1 . . . . 50 I CA . 17141 1 188 . 1 1 50 50 ILE CB C 13 38.750 0.300 . 1 . . . . 50 I CB . 17141 1 189 . 1 1 50 50 ILE C C 13 173.600 0.300 . 1 . . . . 50 I C . 17141 1 190 . 1 1 51 51 LYS N N 15 124.640 0.300 . 1 . . . . 51 K N . 17141 1 191 . 1 1 51 51 LYS H H 1 8.010 0.030 . 1 . . . . 51 K HN . 17141 1 192 . 1 1 51 51 LYS CA C 13 55.500 0.300 . 1 . . . . 51 K CA . 17141 1 193 . 1 1 51 51 LYS CB C 13 34.550 0.300 . 1 . . . . 51 K CB . 17141 1 194 . 1 1 51 51 LYS C C 13 175.700 0.300 . 1 . . . . 51 K C . 17141 1 195 . 1 1 52 52 TYR N N 15 124.200 0.300 . 1 . . . . 52 Y N . 17141 1 196 . 1 1 52 52 TYR H H 1 9.110 0.030 . 1 . . . . 52 Y HN . 17141 1 197 . 1 1 52 52 TYR CA C 13 57.100 0.300 . 1 . . . . 52 Y CA . 17141 1 198 . 1 1 52 52 TYR CB C 13 40.250 0.300 . 1 . . . . 52 Y CB . 17141 1 199 . 1 1 52 52 TYR C C 13 174.900 0.300 . 1 . . . . 52 Y C . 17141 1 200 . 1 1 53 53 THR N N 15 120.030 0.300 . 1 . . . . 53 T N . 17141 1 201 . 1 1 53 53 THR H H 1 8.810 0.030 . 1 . . . . 53 T HN . 17141 1 202 . 1 1 53 53 THR CA C 13 62.300 0.300 . 1 . . . . 53 T CA . 17141 1 203 . 1 1 53 53 THR CB C 13 70.300 0.300 . 1 . . . . 53 T CB . 17141 1 204 . 1 1 53 53 THR C C 13 175.000 0.300 . 1 . . . . 53 T C . 17141 1 205 . 1 1 54 54 GLY N N 15 112.740 0.300 . 1 . . . . 54 G N . 17141 1 206 . 1 1 54 54 GLY H H 1 8.410 0.030 . 1 . . . . 54 G HN . 17141 1 207 . 1 1 54 54 GLY CA C 13 44.000 0.300 . 1 . . . . 54 G CA . 17141 1 208 . 1 1 54 54 GLY C C 13 172.200 0.300 . 1 . . . . 54 G C . 17141 1 209 . 1 1 55 55 ALA N N 15 119.010 0.300 . 1 . . . . 55 A N . 17141 1 210 . 1 1 55 55 ALA H H 1 8.350 0.030 . 1 . . . . 55 A HN . 17141 1 211 . 1 1 55 55 ALA CA C 13 50.950 0.300 . 1 . . . . 55 A CA . 17141 1 212 . 1 1 55 55 ALA CB C 13 20.650 0.300 . 1 . . . . 55 A CB . 17141 1 213 . 1 1 55 55 ALA C C 13 177.300 0.300 . 1 . . . . 55 A C . 17141 1 214 . 1 1 56 56 ALA N N 15 122.550 0.300 . 1 . . . . 56 A N . 17141 1 215 . 1 1 56 56 ALA H H 1 8.130 0.030 . 1 . . . . 56 A HN . 17141 1 216 . 1 1 56 56 ALA CA C 13 51.500 0.300 . 1 . . . . 56 A CA . 17141 1 217 . 1 1 56 56 ALA CB C 13 19.000 0.300 . 1 . . . . 56 A CB . 17141 1 218 . 1 1 56 56 ALA C C 13 179.000 0.300 . 1 . . . . 56 A C . 17141 1 219 . 1 1 57 57 THR N N 15 115.510 0.300 . 1 . . . . 57 T N . 17141 1 220 . 1 1 57 57 THR H H 1 9.270 0.030 . 1 . . . . 57 T HN . 17141 1 221 . 1 1 57 57 THR CA C 13 60.550 0.300 . 1 . . . . 57 T CA . 17141 1 222 . 1 1 57 57 THR CB C 13 35.450 0.300 . 1 . . . . 57 T CB . 17141 1 223 . 1 1 57 57 THR C C 13 174.700 0.300 . 1 . . . . 57 T C . 17141 1 224 . 1 1 58 58 ARG N N 15 119.220 0.300 . 1 . . . . 58 R N . 17141 1 225 . 1 1 58 58 ARG H H 1 8.620 0.030 . 1 . . . . 58 R HN . 17141 1 226 . 1 1 58 58 ARG CA C 13 58.600 0.300 . 1 . . . . 58 R CA . 17141 1 227 . 1 1 58 58 ARG CB C 13 31.200 0.300 . 1 . . . . 58 R CB . 17141 1 228 . 1 1 58 58 ARG C C 13 176.900 0.300 . 1 . . . . 58 R C . 17141 1 229 . 1 1 59 59 THR N N 15 104.160 0.300 . 1 . . . . 59 T N . 17141 1 230 . 1 1 59 59 THR H H 1 7.730 0.030 . 1 . . . . 59 T HN . 17141 1 231 . 1 1 59 59 THR CA C 13 58.950 0.300 . 1 . . . . 59 T CA . 17141 1 232 . 1 1 59 59 THR CB C 13 35.950 0.300 . 1 . . . . 59 T CB . 17141 1 233 . 1 1 59 59 THR C C 13 174.500 0.300 . 1 . . . . 59 T C . 17141 1 234 . 1 1 60 60 LYS N N 15 126.240 0.300 . 1 . . . . 60 K N . 17141 1 235 . 1 1 60 60 LYS H H 1 8.240 0.030 . 1 . . . . 60 K HN . 17141 1 236 . 1 1 60 60 LYS CA C 13 60.000 0.300 . 1 . . . . 60 K CA . 17141 1 237 . 1 1 60 60 LYS CB C 13 31.750 0.300 . 1 . . . . 60 K CB . 17141 1 238 . 1 1 60 60 LYS C C 13 177.800 0.300 . 1 . . . . 60 K C . 17141 1 239 . 1 1 61 61 LYS N N 15 118.170 0.300 . 1 . . . . 61 K N . 17141 1 240 . 1 1 61 61 LYS H H 1 8.250 0.030 . 1 . . . . 61 K HN . 17141 1 241 . 1 1 61 61 LYS CA C 13 59.200 0.300 . 1 . . . . 61 K CA . 17141 1 242 . 1 1 61 61 LYS CB C 13 32.150 0.300 . 1 . . . . 61 K CB . 17141 1 243 . 1 1 61 61 LYS C C 13 179.250 0.300 . 1 . . . . 61 K C . 17141 1 244 . 1 1 62 62 ASP N N 15 116.780 0.300 . 1 . . . . 62 D N . 17141 1 245 . 1 1 62 62 ASP H H 1 7.500 0.030 . 1 . . . . 62 D HN . 17141 1 246 . 1 1 62 62 ASP CA C 13 57.000 0.300 . 1 . . . . 62 D CA . 17141 1 247 . 1 1 62 62 ASP CB C 13 39.950 0.300 . 1 . . . . 62 D CB . 17141 1 248 . 1 1 62 62 ASP C C 13 178.600 0.300 . 1 . . . . 62 D C . 17141 1 249 . 1 1 63 63 ALA N N 15 129.210 0.300 . 1 . . . . 63 A N . 17141 1 250 . 1 1 63 63 ALA H H 1 7.860 0.030 . 1 . . . . 63 A HN . 17141 1 251 . 1 1 63 63 ALA CA C 13 55.650 0.300 . 1 . . . . 63 A CA . 17141 1 252 . 1 1 63 63 ALA CB C 13 19.900 0.300 . 1 . . . . 63 A CB . 17141 1 253 . 1 1 63 63 ALA C C 13 181.700 0.300 . 1 . . . . 63 A C . 17141 1 254 . 1 1 64 64 GLU N N 15 124.190 0.300 . 1 . . . . 64 E N . 17141 1 255 . 1 1 64 64 GLU H H 1 8.560 0.030 . 1 . . . . 64 E HN . 17141 1 256 . 1 1 64 64 GLU CA C 13 60.250 0.300 . 1 . . . . 64 E CA . 17141 1 257 . 1 1 64 64 GLU CB C 13 30.500 0.300 . 1 . . . . 64 E CB . 17141 1 258 . 1 1 64 64 GLU C C 13 179.300 0.300 . 1 . . . . 64 E C . 17141 1 259 . 1 1 65 65 ILE N N 15 120.500 0.300 . 1 . . . . 65 I N . 17141 1 260 . 1 1 65 65 ILE H H 1 7.760 0.030 . 1 . . . . 65 I HN . 17141 1 261 . 1 1 65 65 ILE CA C 13 65.200 0.300 . 1 . . . . 65 I CA . 17141 1 262 . 1 1 65 65 ILE C C 13 177.600 0.300 . 1 . . . . 65 I C . 17141 1 263 . 1 1 66 66 SER N N 15 112.650 0.300 . 1 . . . . 66 S N . 17141 1 264 . 1 1 66 66 SER H H 1 8.120 0.030 . 1 . . . . 66 S HN . 17141 1 265 . 1 1 66 66 SER CA C 13 61.500 0.300 . 1 . . . . 66 S CA . 17141 1 266 . 1 1 66 66 SER CB C 13 31.400 0.300 . 1 . . . . 66 S CB . 17141 1 267 . 1 1 66 66 SER C C 13 178.600 0.300 . 1 . . . . 66 S C . 17141 1 268 . 1 1 67 67 ALA N N 15 123.210 0.300 . 1 . . . . 67 A N . 17141 1 269 . 1 1 67 67 ALA H H 1 8.000 0.030 . 1 . . . . 67 A HN . 17141 1 270 . 1 1 67 67 ALA CA C 13 56.100 0.300 . 1 . . . . 67 A CA . 17141 1 271 . 1 1 67 67 ALA CB C 13 17.900 0.300 . 1 . . . . 67 A CB . 17141 1 272 . 1 1 67 67 ALA C C 13 178.400 0.300 . 1 . . . . 67 A C . 17141 1 273 . 1 1 68 68 GLY N N 15 104.750 0.300 . 1 . . . . 68 G N . 17141 1 274 . 1 1 68 68 GLY H H 1 8.470 0.030 . 1 . . . . 68 G HN . 17141 1 275 . 1 1 68 68 GLY CA C 13 47.700 0.300 . 1 . . . . 68 G CA . 17141 1 276 . 1 1 68 68 GLY C C 13 175.200 0.300 . 1 . . . . 68 G C . 17141 1 277 . 1 1 69 69 ARG N N 15 121.830 0.300 . 1 . . . . 69 R N . 17141 1 278 . 1 1 69 69 ARG H H 1 8.930 0.030 . 1 . . . . 69 R HN . 17141 1 279 . 1 1 69 69 ARG CA C 13 59.700 0.300 . 1 . . . . 69 R CA . 17141 1 280 . 1 1 69 69 ARG CB C 13 30.250 0.300 . 1 . . . . 69 R CB . 17141 1 281 . 1 1 69 69 ARG C C 13 178.500 0.300 . 1 . . . . 69 R C . 17141 1 282 . 1 1 70 70 THR N N 15 116.930 0.300 . 1 . . . . 70 T N . 17141 1 283 . 1 1 70 70 THR H H 1 7.980 0.030 . 1 . . . . 70 T HN . 17141 1 284 . 1 1 70 70 THR CA C 13 67.200 0.300 . 1 . . . . 70 T CA . 17141 1 285 . 1 1 70 70 THR CB C 13 68.500 0.300 . 1 . . . . 70 T CB . 17141 1 286 . 1 1 70 70 THR C C 13 176.400 0.300 . 1 . . . . 70 T C . 17141 1 287 . 1 1 71 71 ALA N N 15 124.020 0.300 . 1 . . . . 71 A N . 17141 1 288 . 1 1 71 71 ALA H H 1 7.750 0.030 . 1 . . . . 71 A HN . 17141 1 289 . 1 1 71 71 ALA CA C 13 54.700 0.300 . 1 . . . . 71 A CA . 17141 1 290 . 1 1 71 71 ALA CB C 13 19.550 0.300 . 1 . . . . 71 A CB . 17141 1 291 . 1 1 71 71 ALA C C 13 178.200 0.300 . 1 . . . . 71 A C . 17141 1 292 . 1 1 72 72 LEU N N 15 117.070 0.300 . 1 . . . . 72 L N . 17141 1 293 . 1 1 72 72 LEU H H 1 8.230 0.030 . 1 . . . . 72 L HN . 17141 1 294 . 1 1 72 72 LEU CA C 13 57.800 0.300 . 1 . . . . 72 L CA . 17141 1 295 . 1 1 72 72 LEU CB C 13 42.150 0.300 . 1 . . . . 72 L CB . 17141 1 296 . 1 1 72 72 LEU C C 13 178.900 0.300 . 1 . . . . 72 L C . 17141 1 297 . 1 1 73 73 LEU N N 15 117.270 0.300 . 1 . . . . 73 L N . 17141 1 298 . 1 1 73 73 LEU H H 1 7.830 0.030 . 1 . . . . 73 L HN . 17141 1 299 . 1 1 73 73 LEU CA C 13 57.300 0.300 . 1 . . . . 73 L CA . 17141 1 300 . 1 1 73 73 LEU CB C 13 42.000 0.300 . 1 . . . . 73 L CB . 17141 1 301 . 1 1 73 73 LEU C C 13 179.150 0.300 . 1 . . . . 73 L C . 17141 1 302 . 1 1 74 74 ALA N N 15 120.650 0.300 . 1 . . . . 74 A N . 17141 1 303 . 1 1 74 74 ALA H H 1 7.320 0.030 . 1 . . . . 74 A HN . 17141 1 304 . 1 1 74 74 ALA CA C 13 54.400 0.300 . 1 . . . . 74 A CA . 17141 1 305 . 1 1 74 74 ALA CB C 13 19.950 0.300 . 1 . . . . 74 A CB . 17141 1 306 . 1 1 74 74 ALA C C 13 180.200 0.300 . 1 . . . . 74 A C . 17141 1 307 . 1 1 75 75 ILE N N 15 115.990 0.300 . 1 . . . . 75 I N . 17141 1 308 . 1 1 75 75 ILE H H 1 7.870 0.030 . 1 . . . . 75 I HN . 17141 1 309 . 1 1 75 75 ILE CA C 13 63.200 0.300 . 1 . . . . 75 I CA . 17141 1 310 . 1 1 75 75 ILE CB C 13 38.950 0.300 . 1 . . . . 75 I CB . 17141 1 311 . 1 1 75 75 ILE C C 13 177.100 0.300 . 1 . . . . 75 I C . 17141 1 312 . 1 1 76 76 GLN N N 15 119.750 0.300 . 1 . . . . 76 Q N . 17141 1 313 . 1 1 76 76 GLN H H 1 7.780 0.030 . 1 . . . . 76 Q HN . 17141 1 314 . 1 1 76 76 GLN CA C 13 56.200 0.300 . 1 . . . . 76 Q CA . 17141 1 315 . 1 1 76 76 GLN CB C 13 29.300 0.300 . 1 . . . . 76 Q CB . 17141 1 316 . 1 1 76 76 GLN C C 13 175.250 0.300 . 1 . . . . 76 Q C . 17141 1 317 . 1 1 77 77 SER N N 15 122.020 0.300 . 1 . . . . 77 S N . 17141 1 318 . 1 1 77 77 SER H H 1 7.630 0.030 . 1 . . . . 77 S HN . 17141 1 319 . 1 1 77 77 SER CA C 13 60.500 0.300 . 1 . . . . 77 S CA . 17141 1 320 . 1 1 77 77 SER CB C 13 64.900 0.300 . 1 . . . . 77 S CB . 17141 1 321 . 1 1 77 77 SER C C 13 178.600 0.300 . 1 . . . . 77 S C . 17141 1 stop_ save_ ################################ # Residual dipolar couplings # ################################ save_RDC_list_1 _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode RDC_list_1 _RDC_list.Entry_ID 17141 _RDC_list.ID 1 _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $sample_conditions_1 _RDC_list.Spectrometer_frequency_1H 600 _RDC_list.Bond_length_usage_flag . _RDC_list.Dipolar_constraint_calib_method . _RDC_list.Mol_align_tensor_axial_sym_mol . _RDC_list.Mol_align_tensor_rhombic_mol . _RDC_list.General_order_param_int_motions . _RDC_list.Assumed_H_N_bond_length . _RDC_list.Assumed_H_C_bond_length . _RDC_list.Assumed_C_N_bond_length . _RDC_list.Details . _RDC_list.Text_data_format . _RDC_list.Text_data . loop_ _RDC_experiment.Experiment_ID _RDC_experiment.Experiment_name _RDC_experiment.Sample_ID _RDC_experiment.Sample_label _RDC_experiment.Sample_state _RDC_experiment.Entry_ID _RDC_experiment.RDC_list_ID 8 '3D HNCO JCACO' . . . 17141 1 9 '3D HNCO JNH' . . . 17141 1 10 '3D HNCOCA JCAHA' . . . 17141 1 11 '3D HNCO JCACO' . . . 17141 1 12 '3D HNCO JNH' . . . 17141 1 13 '3D HNCOCA JCAHA' . . . 17141 1 stop_ loop_ _RDC_software.Software_ID _RDC_software.Software_label _RDC_software.Method_ID _RDC_software.Method_label _RDC_software.Entry_ID _RDC_software.RDC_list_ID 1 $NMRPipe . . 17141 1 2 $NMRView . . 17141 1 stop_ loop_ _RDC.ID _RDC.RDC_code _RDC.Assembly_atom_ID_1 _RDC.Entity_assembly_ID_1 _RDC.Entity_ID_1 _RDC.Comp_index_ID_1 _RDC.Seq_ID_1 _RDC.Comp_ID_1 _RDC.Atom_ID_1 _RDC.Atom_type_1 _RDC.Atom_isotope_number_1 _RDC.Ambiguity_code_1 _RDC.Assembly_atom_ID_2 _RDC.Entity_assembly_ID_2 _RDC.Entity_ID_2 _RDC.Comp_index_ID_2 _RDC.Seq_ID_2 _RDC.Comp_ID_2 _RDC.Atom_ID_2 _RDC.Atom_type_2 _RDC.Atom_isotope_number_2 _RDC.Ambiguity_code_2 _RDC.Val _RDC.Val_min _RDC.Val_max _RDC.Val_err _RDC.Val_bond_length _RDC.Resonance_ID_1 _RDC.Resonance_ID_2 _RDC.Auth_entity_assembly_ID_1 _RDC.Auth_seq_ID_1 _RDC.Auth_comp_ID_1 _RDC.Auth_atom_ID_1 _RDC.Auth_entity_assembly_ID_2 _RDC.Auth_seq_ID_2 _RDC.Auth_comp_ID_2 _RDC.Auth_atom_ID_2 _RDC.Entry_ID _RDC.RDC_list_ID 1 DCCA . 1 1 7 7 GLY C C 13 . . 1 1 7 7 GLY CA C 13 . -2.44 . . . . . . 1 7 GLY C 1 7 GLY CA 17141 1 2 DCCA . 1 1 11 11 ASN C C 13 . . 1 1 11 11 ASN CA C 13 . -3.06 . . . . . . 1 11 ASN C 1 11 ASN CA 17141 1 3 DCCA . 1 1 12 12 LEU C C 13 . . 1 1 12 12 LEU CA C 13 . 0.17 . . . . . . 1 12 LEU C 1 12 LEU CA 17141 1 4 DCCA . 1 1 13 13 LEU C C 13 . . 1 1 13 13 LEU CA C 13 . 2.11 . . . . . . 1 13 LEU C 1 13 LEU CA 17141 1 5 DCCA . 1 1 14 14 GLN C C 13 . . 1 1 14 14 GLN CA C 13 . -4.26 . . . . . . 1 14 GLN C 1 14 GLN CA 17141 1 6 DCCA . 1 1 15 15 GLU C C 13 . . 1 1 15 15 GLU CA C 13 . -0.62 . . . . . . 1 15 GLU C 1 15 GLU CA 17141 1 7 DCCA . 1 1 16 16 TYR C C 13 . . 1 1 16 16 TYR CA C 13 . 0.21 . . . . . . 1 16 TYR C 1 16 TYR CA 17141 1 8 DCCA . 1 1 17 17 ALA C C 13 . . 1 1 17 17 ALA CA C 13 . 0.81 . . . . . . 1 17 ALA C 1 17 ALA CA 17141 1 9 DCCA . 1 1 18 18 GLN C C 13 . . 1 1 18 18 GLN CA C 13 . -5.50 . . . . . . 1 18 GLN C 1 18 GLN CA 17141 1 10 DCCA . 1 1 19 19 LYS C C 13 . . 1 1 19 19 LYS CA C 13 . 0.81 . . . . . . 1 19 LYS C 1 19 LYS CA 17141 1 11 DCCA . 1 1 20 20 MET C C 13 . . 1 1 20 20 MET CA C 13 . -0.88 . . . . . . 1 20 MET C 1 20 MET CA 17141 1 12 DCCA . 1 1 21 21 ASN C C 13 . . 1 1 21 21 ASN CA C 13 . -1.82 . . . . . . 1 21 ASN C 1 21 ASN CA 17141 1 13 DCCA . 1 1 22 22 TYR C C 13 . . 1 1 22 22 TYR CA C 13 . -2.63 . . . . . . 1 22 TYR C 1 22 TYR CA 17141 1 14 DCCA . 1 1 23 23 ALA C C 13 . . 1 1 23 23 ALA CA C 13 . -0.23 . . . . . . 1 23 ALA C 1 23 ALA CA 17141 1 15 DCCA . 1 1 25 25 PRO C C 13 . . 1 1 25 25 PRO CA C 13 . -5.35 . . . . . . 1 25 PRO C 1 25 PRO CA 17141 1 16 DCCA . 1 1 26 26 LEU C C 13 . . 1 1 26 26 LEU CA C 13 . 0.20 . . . . . . 1 26 LEU C 1 26 LEU CA 17141 1 17 DCCA . 1 1 27 27 TYR C C 13 . . 1 1 27 27 TYR CA C 13 . -4.38 . . . . . . 1 27 TYR C 1 27 TYR CA 17141 1 18 DCCA . 1 1 29 29 CYS C C 13 . . 1 1 29 29 CYS CA C 13 . -2.74 . . . . . . 1 29 CYS C 1 29 CYS CA 17141 1 19 DCCA . 1 1 30 30 GLN C C 13 . . 1 1 30 30 GLN CA C 13 . -0.58 . . . . . . 1 30 GLN C 1 30 GLN CA 17141 1 20 DCCA . 1 1 31 31 LYS C C 13 . . 1 1 31 31 LYS CA C 13 . 1.35 . . . . . . 1 31 LYS C 1 31 LYS CA 17141 1 21 DCCA . 1 1 32 32 VAL C C 13 . . 1 1 32 32 VAL CA C 13 . -1.92 . . . . . . 1 32 VAL C 1 32 VAL CA 17141 1 22 DCCA . 1 1 33 33 GLU C C 13 . . 1 1 33 33 GLU CA C 13 . 2.71 . . . . . . 1 33 GLU C 1 33 GLU CA 17141 1 23 DCCA . 1 1 36 36 GLY C C 13 . . 1 1 36 36 GLY CA C 13 . 1.31 . . . . . . 1 36 GLY C 1 36 GLY CA 17141 1 24 DCCA . 1 1 37 37 ARG C C 13 . . 1 1 37 37 ARG CA C 13 . -0.64 . . . . . . 1 37 ARG C 1 37 ARG CA 17141 1 25 DCCA . 1 1 38 38 VAL C C 13 . . 1 1 38 38 VAL CA C 13 . 0.01 . . . . . . 1 38 VAL C 1 38 VAL CA 17141 1 26 DCCA . 1 1 39 39 THR C C 13 . . 1 1 39 39 THR CA C 13 . -4.67 . . . . . . 1 39 THR C 1 39 THR CA 17141 1 27 DCCA . 1 1 40 40 GLN C C 13 . . 1 1 40 40 GLN CA C 13 . 0.61 . . . . . . 1 40 GLN C 1 40 GLN CA 17141 1 28 DCCA . 1 1 41 41 PHE C C 13 . . 1 1 41 41 PHE CA C 13 . -4.01 . . . . . . 1 41 PHE C 1 41 PHE CA 17141 1 29 DCCA . 1 1 42 42 THR C C 13 . . 1 1 42 42 THR CA C 13 . 1.32 . . . . . . 1 42 THR C 1 42 THR CA 17141 1 30 DCCA . 1 1 43 43 CYS C C 13 . . 1 1 43 43 CYS CA C 13 . -3.82 . . . . . . 1 43 CYS C 1 43 CYS CA 17141 1 31 DCCA . 1 1 44 44 THR C C 13 . . 1 1 44 44 THR CA C 13 . 1.64 . . . . . . 1 44 THR C 1 44 THR CA 17141 1 32 DCCA . 1 1 45 45 VAL C C 13 . . 1 1 45 45 VAL CA C 13 . -1.99 . . . . . . 1 45 VAL C 1 45 VAL CA 17141 1 33 DCCA . 1 1 46 46 GLU C C 13 . . 1 1 46 46 GLU CA C 13 . -1.74 . . . . . . 1 46 GLU C 1 46 GLU CA 17141 1 34 DCCA . 1 1 47 47 ILE C C 13 . . 1 1 47 47 ILE CA C 13 . -2.11 . . . . . . 1 47 ILE C 1 47 ILE CA 17141 1 35 DCCA . 1 1 48 48 GLY C C 13 . . 1 1 48 48 GLY CA C 13 . 1.25 . . . . . . 1 48 GLY C 1 48 GLY CA 17141 1 36 DCCA . 1 1 49 49 GLY C C 13 . . 1 1 49 49 GLY CA C 13 . 2.01 . . . . . . 1 49 GLY C 1 49 GLY CA 17141 1 37 DCCA . 1 1 50 50 ILE C C 13 . . 1 1 50 50 ILE CA C 13 . -3.05 . . . . . . 1 50 ILE C 1 50 ILE CA 17141 1 38 DCCA . 1 1 51 51 LYS C C 13 . . 1 1 51 51 LYS CA C 13 . 0.30 . . . . . . 1 51 LYS C 1 51 LYS CA 17141 1 39 DCCA . 1 1 52 52 TYR C C 13 . . 1 1 52 52 TYR CA C 13 . -4.61 . . . . . . 1 52 TYR C 1 52 TYR CA 17141 1 40 DCCA . 1 1 53 53 THR C C 13 . . 1 1 53 53 THR CA C 13 . 1.25 . . . . . . 1 53 THR C 1 53 THR CA 17141 1 41 DCCA . 1 1 54 54 GLY C C 13 . . 1 1 54 54 GLY CA C 13 . -0.43 . . . . . . 1 54 GLY C 1 54 GLY CA 17141 1 42 DCCA . 1 1 55 55 ALA C C 13 . . 1 1 55 55 ALA CA C 13 . -4.38 . . . . . . 1 55 ALA C 1 55 ALA CA 17141 1 43 DCCA . 1 1 56 56 ALA C C 13 . . 1 1 56 56 ALA CA C 13 . 0.01 . . . . . . 1 56 ALA C 1 56 ALA CA 17141 1 44 DCCA . 1 1 57 57 THR C C 13 . . 1 1 57 57 THR CA C 13 . -3.65 . . . . . . 1 57 THR C 1 57 THR CA 17141 1 45 DCCA . 1 1 58 58 ARG C C 13 . . 1 1 58 58 ARG CA C 13 . 1.39 . . . . . . 1 58 ARG C 1 58 ARG CA 17141 1 46 DCCA . 1 1 59 59 THR C C 13 . . 1 1 59 59 THR CA C 13 . -1.45 . . . . . . 1 59 THR C 1 59 THR CA 17141 1 47 DCCA . 1 1 60 60 LYS C C 13 . . 1 1 60 60 LYS CA C 13 . -2.85 . . . . . . 1 60 LYS C 1 60 LYS CA 17141 1 48 DCCA . 1 1 61 61 LYS C C 13 . . 1 1 61 61 LYS CA C 13 . -1.43 . . . . . . 1 61 LYS C 1 61 LYS CA 17141 1 49 DCCA . 1 1 62 62 ASP C C 13 . . 1 1 62 62 ASP CA C 13 . 0.37 . . . . . . 1 62 ASP C 1 62 ASP CA 17141 1 50 DCCA . 1 1 63 63 ALA C C 13 . . 1 1 63 63 ALA CA C 13 . -1.63 . . . . . . 1 63 ALA C 1 63 ALA CA 17141 1 51 DCCA . 1 1 64 64 GLU C C 13 . . 1 1 64 64 GLU CA C 13 . -4.16 . . . . . . 1 64 GLU C 1 64 GLU CA 17141 1 52 DCCA . 1 1 65 65 ILE C C 13 . . 1 1 65 65 ILE CA C 13 . 1.53 . . . . . . 1 65 ILE C 1 65 ILE CA 17141 1 53 DCCA . 1 1 66 66 SER C C 13 . . 1 1 66 66 SER CA C 13 . -1.30 . . . . . . 1 66 SER C 1 66 SER CA 17141 1 54 DCCA . 1 1 67 67 ALA C C 13 . . 1 1 67 67 ALA CA C 13 . -2.50 . . . . . . 1 67 ALA C 1 67 ALA CA 17141 1 55 DCCA . 1 1 68 68 GLY C C 13 . . 1 1 68 68 GLY CA C 13 . -1.76 . . . . . . 1 68 GLY C 1 68 GLY CA 17141 1 56 DCCA . 1 1 69 69 ARG C C 13 . . 1 1 69 69 ARG CA C 13 . 0.93 . . . . . . 1 69 ARG C 1 69 ARG CA 17141 1 57 DCCA . 1 1 70 70 THR C C 13 . . 1 1 70 70 THR CA C 13 . -1.17 . . . . . . 1 70 THR C 1 70 THR CA 17141 1 58 DCCA . 1 1 71 71 ALA C C 13 . . 1 1 71 71 ALA CA C 13 . -3.32 . . . . . . 1 71 ALA C 1 71 ALA CA 17141 1 59 DCCA . 1 1 72 72 LEU C C 13 . . 1 1 72 72 LEU CA C 13 . 0.04 . . . . . . 1 72 LEU C 1 72 LEU CA 17141 1 60 DCCA . 1 1 73 73 LEU C C 13 . . 1 1 73 73 LEU CA C 13 . -0.65 . . . . . . 1 73 LEU C 1 73 LEU CA 17141 1 61 DCCA . 1 1 74 74 ALA C C 13 . . 1 1 74 74 ALA CA C 13 . -1.35 . . . . . . 1 74 ALA C 1 74 ALA CA 17141 1 62 DCCA . 1 1 75 75 ILE C C 13 . . 1 1 75 75 ILE CA C 13 . -2.08 . . . . . . 1 75 ILE C 1 75 ILE CA 17141 1 63 DCCA . 1 1 76 76 GLN C C 13 . . 1 1 76 76 GLN CA C 13 . 0.18 . . . . . . 1 76 GLN C 1 76 GLN CA 17141 1 64 DCAHA . 1 1 11 11 ASN CA C 13 . . 1 1 11 11 ASN HA H 1 . 9.78 . . . . . . 1 11 ASN CA 1 11 ASN HA 17141 1 65 DCAHA . 1 1 12 12 LEU CA C 13 . . 1 1 12 12 LEU HA H 1 . -7.58 . . . . . . 1 12 LEU CA 1 12 LEU HA 17141 1 66 DCAHA . 1 1 13 13 LEU CA C 13 . . 1 1 13 13 LEU HA H 1 . -19.48 . . . . . . 1 13 LEU CA 1 13 LEU HA 17141 1 67 DCAHA . 1 1 15 15 GLU CA C 13 . . 1 1 15 15 GLU HA H 1 . 29.25 . . . . . . 1 15 GLU CA 1 15 GLU HA 17141 1 68 DCAHA . 1 1 16 16 TYR CA C 13 . . 1 1 16 16 TYR HA H 1 . -40.68 . . . . . . 1 16 TYR CA 1 16 TYR HA 17141 1 69 DCAHA . 1 1 17 17 ALA CA C 13 . . 1 1 17 17 ALA HA H 1 . 10.85 . . . . . . 1 17 ALA CA 1 17 ALA HA 17141 1 70 DCAHA . 1 1 18 18 GLN CA C 13 . . 1 1 18 18 GLN HA H 1 . 4.55 . . . . . . 1 18 GLN CA 1 18 GLN HA 17141 1 71 DCAHA . 1 1 19 19 LYS CA C 13 . . 1 1 19 19 LYS HA H 1 . 14.87 . . . . . . 1 19 LYS CA 1 19 LYS HA 17141 1 72 DCAHA . 1 1 20 20 MET CA C 13 . . 1 1 20 20 MET HA H 1 . -42.76 . . . . . . 1 20 MET CA 1 20 MET HA 17141 1 73 DCAHA . 1 1 21 21 ASN CA C 13 . . 1 1 21 21 ASN HA H 1 . 15.66 . . . . . . 1 21 ASN CA 1 21 ASN HA 17141 1 74 DCAHA . 1 1 22 22 TYR CA C 13 . . 1 1 22 22 TYR HA H 1 . 12.70 . . . . . . 1 22 TYR CA 1 22 TYR HA 17141 1 75 DCAHA . 1 1 23 23 ALA CA C 13 . . 1 1 23 23 ALA HA H 1 . 29.53 . . . . . . 1 23 ALA CA 1 23 ALA HA 17141 1 76 DCAHA . 1 1 25 25 PRO CA C 13 . . 1 1 25 25 PRO HA H 1 . 15.90 . . . . . . 1 25 PRO CA 1 25 PRO HA 17141 1 77 DCAHA . 1 1 26 26 LEU CA C 13 . . 1 1 26 26 LEU HA H 1 . 20.33 . . . . . . 1 26 LEU CA 1 26 LEU HA 17141 1 78 DCAHA . 1 1 27 27 TYR CA C 13 . . 1 1 27 27 TYR HA H 1 . 8.17 . . . . . . 1 27 TYR CA 1 27 TYR HA 17141 1 79 DCAHA . 1 1 29 29 CYS CA C 13 . . 1 1 29 29 CYS HA H 1 . 1.64 . . . . . . 1 29 CYS CA 1 29 CYS HA 17141 1 80 DCAHA . 1 1 30 30 GLN CA C 13 . . 1 1 30 30 GLN HA H 1 . 1.16 . . . . . . 1 30 GLN CA 1 30 GLN HA 17141 1 81 DCAHA . 1 1 31 31 LYS CA C 13 . . 1 1 31 31 LYS HA H 1 . -4.99 . . . . . . 1 31 LYS CA 1 31 LYS HA 17141 1 82 DCAHA . 1 1 32 32 VAL CA C 13 . . 1 1 32 32 VAL HA H 1 . -4.54 . . . . . . 1 32 VAL CA 1 32 VAL HA 17141 1 83 DCAHA . 1 1 33 33 GLU CA C 13 . . 1 1 33 33 GLU HA H 1 . 5.84 . . . . . . 1 33 GLU CA 1 33 GLU HA 17141 1 84 DCAHA . 1 1 37 37 ARG CA C 13 . . 1 1 37 37 ARG HA H 1 . 2.11 . . . . . . 1 37 ARG CA 1 37 ARG HA 17141 1 85 DCAHA . 1 1 38 38 VAL CA C 13 . . 1 1 38 38 VAL HA H 1 . 0.78 . . . . . . 1 38 VAL CA 1 38 VAL HA 17141 1 86 DCAHA . 1 1 39 39 THR CA C 13 . . 1 1 39 39 THR HA H 1 . 17.41 . . . . . . 1 39 THR CA 1 39 THR HA 17141 1 87 DCAHA . 1 1 40 40 GLN CA C 13 . . 1 1 40 40 GLN HA H 1 . 12.81 . . . . . . 1 40 GLN CA 1 40 GLN HA 17141 1 88 DCAHA . 1 1 41 41 PHE CA C 13 . . 1 1 41 41 PHE HA H 1 . -7.46 . . . . . . 1 41 PHE CA 1 41 PHE HA 17141 1 89 DCAHA . 1 1 42 42 THR CA C 13 . . 1 1 42 42 THR HA H 1 . -5.39 . . . . . . 1 42 THR CA 1 42 THR HA 17141 1 90 DCAHA . 1 1 43 43 CYS CA C 13 . . 1 1 43 43 CYS HA H 1 . -15.40 . . . . . . 1 43 CYS CA 1 43 CYS HA 17141 1 91 DCAHA . 1 1 44 44 THR CA C 13 . . 1 1 44 44 THR HA H 1 . -2.41 . . . . . . 1 44 THR CA 1 44 THR HA 17141 1 92 DCAHA . 1 1 45 45 VAL CA C 13 . . 1 1 45 45 VAL HA H 1 . 0.67 . . . . . . 1 45 VAL CA 1 45 VAL HA 17141 1 93 DCAHA . 1 1 46 46 GLU CA C 13 . . 1 1 46 46 GLU HA H 1 . 23.39 . . . . . . 1 46 GLU CA 1 46 GLU HA 17141 1 94 DCAHA . 1 1 47 47 ILE CA C 13 . . 1 1 47 47 ILE HA H 1 . 27.04 . . . . . . 1 47 ILE CA 1 47 ILE HA 17141 1 95 DCAHA . 1 1 50 50 ILE CA C 13 . . 1 1 50 50 ILE HA H 1 . 17.96 . . . . . . 1 50 ILE CA 1 50 ILE HA 17141 1 96 DCAHA . 1 1 51 51 LYS CA C 13 . . 1 1 51 51 LYS HA H 1 . 32.52 . . . . . . 1 51 LYS CA 1 51 LYS HA 17141 1 97 DCAHA . 1 1 52 52 TYR CA C 13 . . 1 1 52 52 TYR HA H 1 . 28.20 . . . . . . 1 52 TYR CA 1 52 TYR HA 17141 1 98 DCAHA . 1 1 53 53 THR CA C 13 . . 1 1 53 53 THR HA H 1 . 11.83 . . . . . . 1 53 THR CA 1 53 THR HA 17141 1 99 DCAHA . 1 1 55 55 ALA CA C 13 . . 1 1 55 55 ALA HA H 1 . 2.12 . . . . . . 1 55 ALA CA 1 55 ALA HA 17141 1 100 DCAHA . 1 1 56 56 ALA CA C 13 . . 1 1 56 56 ALA HA H 1 . 22.33 . . . . . . 1 56 ALA CA 1 56 ALA HA 17141 1 101 DCAHA . 1 1 57 57 THR CA C 13 . . 1 1 57 57 THR HA H 1 . 19.97 . . . . . . 1 57 THR CA 1 57 THR HA 17141 1 102 DCAHA . 1 1 58 58 ARG CA C 13 . . 1 1 58 58 ARG HA H 1 . -0.49 . . . . . . 1 58 ARG CA 1 58 ARG HA 17141 1 103 DCAHA . 1 1 59 59 THR CA C 13 . . 1 1 59 59 THR HA H 1 . -42.28 . . . . . . 1 59 THR CA 1 59 THR HA 17141 1 104 DCAHA . 1 1 61 61 LYS CA C 13 . . 1 1 61 61 LYS HA H 1 . 3.01 . . . . . . 1 61 LYS CA 1 61 LYS HA 17141 1 105 DCAHA . 1 1 62 62 ASP CA C 13 . . 1 1 62 62 ASP HA H 1 . -22.07 . . . . . . 1 62 ASP CA 1 62 ASP HA 17141 1 106 DCAHA . 1 1 63 63 ALA CA C 13 . . 1 1 63 63 ALA HA H 1 . 13.70 . . . . . . 1 63 ALA CA 1 63 ALA HA 17141 1 107 DCAHA . 1 1 64 64 GLU CA C 13 . . 1 1 64 64 GLU HA H 1 . 8.35 . . . . . . 1 64 GLU CA 1 64 GLU HA 17141 1 108 DCAHA . 1 1 65 65 ILE CA C 13 . . 1 1 65 65 ILE HA H 1 . -2.23 . . . . . . 1 65 ILE CA 1 65 ILE HA 17141 1 109 DCAHA . 1 1 66 66 SER CA C 13 . . 1 1 66 66 SER HA H 1 . -21.22 . . . . . . 1 66 SER CA 1 66 SER HA 17141 1 110 DCAHA . 1 1 67 67 ALA CA C 13 . . 1 1 67 67 ALA HA H 1 . 29.22 . . . . . . 1 67 ALA CA 1 67 ALA HA 17141 1 111 DCAHA . 1 1 69 69 ARG CA C 13 . . 1 1 69 69 ARG HA H 1 . -11.78 . . . . . . 1 69 ARG CA 1 69 ARG HA 17141 1 112 DCAHA . 1 1 70 70 THR CA C 13 . . 1 1 70 70 THR HA H 1 . 7.56 . . . . . . 1 70 THR CA 1 70 THR HA 17141 1 113 DCAHA . 1 1 71 71 ALA CA C 13 . . 1 1 71 71 ALA HA H 1 . 17.11 . . . . . . 1 71 ALA CA 1 71 ALA HA 17141 1 114 DCAHA . 1 1 72 72 LEU CA C 13 . . 1 1 72 72 LEU HA H 1 . 0.84 . . . . . . 1 72 LEU CA 1 72 LEU HA 17141 1 115 DCAHA . 1 1 73 73 LEU CA C 13 . . 1 1 73 73 LEU HA H 1 . -18.09 . . . . . . 1 73 LEU CA 1 73 LEU HA 17141 1 116 DCAHA . 1 1 74 74 ALA CA C 13 . . 1 1 74 74 ALA HA H 1 . 18.16 . . . . . . 1 74 ALA CA 1 74 ALA HA 17141 1 117 DCAHA . 1 1 75 75 ILE CA C 13 . . 1 1 75 75 ILE HA H 1 . 7.50 . . . . . . 1 75 ILE CA 1 75 ILE HA 17141 1 118 DCAHA . 1 1 76 76 GLN CA C 13 . . 1 1 76 76 GLN HA H 1 . 6.53 . . . . . . 1 76 GLN CA 1 76 GLN HA 17141 1 119 DHN . 1 1 8 8 LEU H H 1 . . 1 1 8 8 LEU N N 15 . -0.06 . . . . . . 1 8 LEU H 1 8 LEU N 17141 1 120 DHN . 1 1 12 12 LEU H H 1 . . 1 1 12 12 LEU N N 15 . 2.08 . . . . . . 1 12 LEU H 1 12 LEU N 17141 1 121 DHN . 1 1 13 13 LEU H H 1 . . 1 1 13 13 LEU N N 15 . 14.10 . . . . . . 1 13 LEU H 1 13 LEU N 17141 1 122 DHN . 1 1 14 14 GLN H H 1 . . 1 1 14 14 GLN N N 15 . 2.99 . . . . . . 1 14 GLN H 1 14 GLN N 17141 1 123 DHN . 1 1 15 15 GLU H H 1 . . 1 1 15 15 GLU N N 15 . -1.48 . . . . . . 1 15 GLU H 1 15 GLU N 17141 1 124 DHN . 1 1 16 16 TYR H H 1 . . 1 1 16 16 TYR N N 15 . 7.63 . . . . . . 1 16 TYR H 1 16 TYR N 17141 1 125 DHN . 1 1 17 17 ALA H H 1 . . 1 1 17 17 ALA N N 15 . 10.11 . . . . . . 1 17 ALA H 1 17 ALA N 17141 1 126 DHN . 1 1 18 18 GLN H H 1 . . 1 1 18 18 GLN N N 15 . 0.30 . . . . . . 1 18 GLN H 1 18 GLN N 17141 1 127 DHN . 1 1 19 19 LYS H H 1 . . 1 1 19 19 LYS N N 15 . -0.67 . . . . . . 1 19 LYS H 1 19 LYS N 17141 1 128 DHN . 1 1 20 20 MET H H 1 . . 1 1 20 20 MET N N 15 . 12.70 . . . . . . 1 20 MET H 1 20 MET N 17141 1 129 DHN . 1 1 21 21 ASN H H 1 . . 1 1 21 21 ASN N N 15 . -6.77 . . . . . . 1 21 ASN H 1 21 ASN N 17141 1 130 DHN . 1 1 22 22 TYR H H 1 . . 1 1 22 22 TYR N N 15 . -4.59 . . . . . . 1 22 TYR H 1 22 TYR N 17141 1 131 DHN . 1 1 23 23 ALA H H 1 . . 1 1 23 23 ALA N N 15 . -12.83 . . . . . . 1 23 ALA H 1 23 ALA N 17141 1 132 DHN . 1 1 24 24 ILE H H 1 . . 1 1 24 24 ILE N N 15 . -8.06 . . . . . . 1 24 ILE H 1 24 ILE N 17141 1 133 DHN . 1 1 26 26 LEU H H 1 . . 1 1 26 26 LEU N N 15 . -2.55 . . . . . . 1 26 LEU H 1 26 LEU N 17141 1 134 DHN . 1 1 27 27 TYR H H 1 . . 1 1 27 27 TYR N N 15 . -12.20 . . . . . . 1 27 TYR H 1 27 TYR N 17141 1 135 DHN . 1 1 28 28 GLN H H 1 . . 1 1 28 28 GLN N N 15 . 2.46 . . . . . . 1 28 GLN H 1 28 GLN N 17141 1 136 DHN . 1 1 30 30 GLN H H 1 . . 1 1 30 30 GLN N N 15 . 4.32 . . . . . . 1 30 GLN H 1 30 GLN N 17141 1 137 DHN . 1 1 31 31 LYS H H 1 . . 1 1 31 31 LYS N N 15 . -0.81 . . . . . . 1 31 LYS H 1 31 LYS N 17141 1 138 DHN . 1 1 32 32 VAL H H 1 . . 1 1 32 32 VAL N N 15 . -1.57 . . . . . . 1 32 VAL H 1 32 VAL N 17141 1 139 DHN . 1 1 33 33 GLU H H 1 . . 1 1 33 33 GLU N N 15 . -2.10 . . . . . . 1 33 GLU H 1 33 GLU N 17141 1 140 DHN . 1 1 34 34 THR H H 1 . . 1 1 34 34 THR N N 15 . -4.53 . . . . . . 1 34 THR H 1 34 THR N 17141 1 141 DHN . 1 1 37 37 ARG H H 1 . . 1 1 37 37 ARG N N 15 . -3.02 . . . . . . 1 37 ARG H 1 37 ARG N 17141 1 142 DHN . 1 1 38 38 VAL H H 1 . . 1 1 38 38 VAL N N 15 . -6.48 . . . . . . 1 38 VAL H 1 38 VAL N 17141 1 143 DHN . 1 1 39 39 THR H H 1 . . 1 1 39 39 THR N N 15 . -0.18 . . . . . . 1 39 THR H 1 39 THR N 17141 1 144 DHN . 1 1 40 40 GLN H H 1 . . 1 1 40 40 GLN N N 15 . -2.32 . . . . . . 1 40 GLN H 1 40 GLN N 17141 1 145 DHN . 1 1 41 41 PHE H H 1 . . 1 1 41 41 PHE N N 15 . -0.11 . . . . . . 1 41 PHE H 1 41 PHE N 17141 1 146 DHN . 1 1 42 42 THR H H 1 . . 1 1 42 42 THR N N 15 . 3.80 . . . . . . 1 42 THR H 1 42 THR N 17141 1 147 DHN . 1 1 43 43 CYS H H 1 . . 1 1 43 43 CYS N N 15 . 1.97 . . . . . . 1 43 CYS H 1 43 CYS N 17141 1 148 DHN . 1 1 44 44 THR H H 1 . . 1 1 44 44 THR N N 15 . 3.07 . . . . . . 1 44 THR H 1 44 THR N 17141 1 149 DHN . 1 1 45 45 VAL H H 1 . . 1 1 45 45 VAL N N 15 . -7.73 . . . . . . 1 45 VAL H 1 45 VAL N 17141 1 150 DHN . 1 1 46 46 GLU H H 1 . . 1 1 46 46 GLU N N 15 . -1.88 . . . . . . 1 46 GLU H 1 46 GLU N 17141 1 151 DHN . 1 1 47 47 ILE H H 1 . . 1 1 47 47 ILE N N 15 . -17.65 . . . . . . 1 47 ILE H 1 47 ILE N 17141 1 152 DHN . 1 1 48 48 GLY H H 1 . . 1 1 48 48 GLY N N 15 . -11.70 . . . . . . 1 48 GLY H 1 48 GLY N 17141 1 153 DHN . 1 1 49 49 GLY H H 1 . . 1 1 49 49 GLY N N 15 . -0.10 . . . . . . 1 49 GLY H 1 49 GLY N 17141 1 154 DHN . 1 1 50 50 ILE H H 1 . . 1 1 50 50 ILE N N 15 . -8.87 . . . . . . 1 50 ILE H 1 50 ILE N 17141 1 155 DHN . 1 1 51 51 LYS H H 1 . . 1 1 51 51 LYS N N 15 . -12.62 . . . . . . 1 51 LYS H 1 51 LYS N 17141 1 156 DHN . 1 1 52 52 TYR H H 1 . . 1 1 52 52 TYR N N 15 . -14.38 . . . . . . 1 52 TYR H 1 52 TYR N 17141 1 157 DHN . 1 1 53 53 THR H H 1 . . 1 1 53 53 THR N N 15 . -1.74 . . . . . . 1 53 THR H 1 53 THR N 17141 1 158 DHN . 1 1 54 54 GLY H H 1 . . 1 1 54 54 GLY N N 15 . 3.40 . . . . . . 1 54 GLY H 1 54 GLY N 17141 1 159 DHN . 1 1 55 55 ALA H H 1 . . 1 1 55 55 ALA N N 15 . -3.53 . . . . . . 1 55 ALA H 1 55 ALA N 17141 1 160 DHN . 1 1 56 56 ALA H H 1 . . 1 1 56 56 ALA N N 15 . -15.17 . . . . . . 1 56 ALA H 1 56 ALA N 17141 1 161 DHN . 1 1 57 57 THR H H 1 . . 1 1 57 57 THR N N 15 . -6.14 . . . . . . 1 57 THR H 1 57 THR N 17141 1 162 DHN . 1 1 58 58 ARG H H 1 . . 1 1 58 58 ARG N N 15 . 2.31 . . . . . . 1 58 ARG H 1 58 ARG N 17141 1 163 DHN . 1 1 59 59 THR H H 1 . . 1 1 59 59 THR N N 15 . 13.96 . . . . . . 1 59 THR H 1 59 THR N 17141 1 164 DHN . 1 1 60 60 LYS H H 1 . . 1 1 60 60 LYS N N 15 . 16.23 . . . . . . 1 60 LYS H 1 60 LYS N 17141 1 165 DHN . 1 1 61 61 LYS H H 1 . . 1 1 61 61 LYS N N 15 . 15.63 . . . . . . 1 61 LYS H 1 61 LYS N 17141 1 166 DHN . 1 1 62 62 ASP H H 1 . . 1 1 62 62 ASP N N 15 . 21.52 . . . . . . 1 62 ASP H 1 62 ASP N 17141 1 167 DHN . 1 1 63 63 ALA H H 1 . . 1 1 63 63 ALA N N 15 . 17.13 . . . . . . 1 63 ALA H 1 63 ALA N 17141 1 168 DHN . 1 1 64 64 GLU H H 1 . . 1 1 64 64 GLU N N 15 . 10.99 . . . . . . 1 64 GLU H 1 64 GLU N 17141 1 169 DHN . 1 1 65 65 ILE H H 1 . . 1 1 65 65 ILE N N 15 . 16.67 . . . . . . 1 65 ILE H 1 65 ILE N 17141 1 170 DHN . 1 1 66 66 SER H H 1 . . 1 1 66 66 SER N N 15 . 21.76 . . . . . . 1 66 SER H 1 66 SER N 17141 1 171 DHN . 1 1 67 67 ALA H H 1 . . 1 1 67 67 ALA N N 15 . 13.31 . . . . . . 1 67 ALA H 1 67 ALA N 17141 1 172 DHN . 1 1 68 68 GLY H H 1 . . 1 1 68 68 GLY N N 15 . 14.32 . . . . . . 1 68 GLY H 1 68 GLY N 17141 1 173 DHN . 1 1 69 69 ARG H H 1 . . 1 1 69 69 ARG N N 15 . 20.39 . . . . . . 1 69 ARG H 1 69 ARG N 17141 1 174 DHN . 1 1 70 70 THR H H 1 . . 1 1 70 70 THR N N 15 . 19.85 . . . . . . 1 70 THR H 1 70 THR N 17141 1 175 DHN . 1 1 71 71 ALA H H 1 . . 1 1 71 71 ALA N N 15 . 13.28 . . . . . . 1 71 ALA H 1 71 ALA N 17141 1 176 DHN . 1 1 72 72 LEU H H 1 . . 1 1 72 72 LEU N N 15 . 17.12 . . . . . . 1 72 LEU H 1 72 LEU N 17141 1 177 DHN . 1 1 73 73 LEU H H 1 . . 1 1 73 73 LEU N N 15 . 22.92 . . . . . . 1 73 LEU H 1 73 LEU N 17141 1 178 DHN . 1 1 74 74 ALA H H 1 . . 1 1 74 74 ALA N N 15 . 15.24 . . . . . . 1 74 ALA H 1 74 ALA N 17141 1 179 DHN . 1 1 75 75 ILE H H 1 . . 1 1 75 75 ILE N N 15 . 13.53 . . . . . . 1 75 ILE H 1 75 ILE N 17141 1 180 DHN . 1 1 76 76 GLN H H 1 . . 1 1 76 76 GLN N N 15 . 12.26 . . . . . . 1 76 GLN H 1 76 GLN N 17141 1 181 DHN . 1 1 77 77 SER H H 1 . . 1 1 77 77 SER N N 15 . 0.57 . . . . . . 1 77 SER H 1 77 SER N 17141 1 stop_ save_