data_25800 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25800 _Entry.Title ; Solution structure of Plasmodium falciparum SR1-RRM1 in complex with ACAUCA RNA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-09-08 _Entry.Accession_date 2015-09-08 _Entry.Last_release_date 2015-10-09 _Entry.Original_release_date 2015-10-09 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Akshay Ganguly . K. . . 25800 2 Garima Verma . . . . 25800 3 'Neel Sarovar' Bhavesh . . . . 25800 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25800 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Alternative splicing' . 25800 'Plasmodium falciparum' . 25800 'Protein-RNA complex' . 25800 'Serine/Arginine rich protein' . 25800 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 25800 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 398 25800 '15N chemical shifts' 84 25800 '1H chemical shifts' 374 25800 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2018-12-21 2015-09-08 update author 'update entry citation' 25800 1 . . 2016-10-06 2015-09-08 original author 'original release' 25800 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25779 '1H, 13C and 15N resonance assignments of unbound PfSR1-RRM1' 25800 NCBI XP_001351730.2 'Polypeptide sequence of PfSR1' 25800 PDB 2N3L 'Solution structure of unbound PfSR1-RRM1' 25800 PDB 2N7C 'BMRB Entry Tracking System' 25800 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25800 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 30500338 _Citation.Full_citation . _Citation.Title ; The N-terminal RNA Recognition Motif of PfSR1 Confers Semi-specificity for Pyrimidines during RNA Recognition ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2018 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Akshay Ganguly . K. . . 25800 1 2 Garima Verma . . . . 25800 1 3 'Neel Sarovar' Bhavesh . . . . 25800 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25800 _Assembly.ID 1 _Assembly.Name 'Plasmodium falciparum SR1-RRM1 in complex with ACAUCA RNA' _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 entity_1 1 $PfSR1-RRM1 A . yes native no no . . . 25800 1 2 "RNA (5'-R(*AP*CP*AP*UP*CP*A)-3')" 2 $RNA_(5'-R(*AP*CP*AP*UP*CP*A)-3') B . yes native no no . . . 25800 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PfSR1-RRM1 _Entity.Sf_category entity _Entity.Sf_framecode PfSR1-RRM1 _Entity.Entry_ID 25800 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PfSR1-RRM1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHMVIRESVSRIYVGNLPS HVSSRDVENEFRKYGNILKC DVKKTVSGAAFAFIEFEDAR DAADAIKEKDGCDFEGNKLR VEVPFNARE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'G-2, S-1, H0 are from pet28a vector' _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 89 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9997.284 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID . yes NCBI XP_001351730.2 . 'Splicing factor, putative [Plasmodium falciparum 3D7]' . . . . . . . . . . . . . . 25800 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 -2 GLY . 25800 1 2 -1 SER . 25800 1 3 0 HIS . 25800 1 4 1 MET . 25800 1 5 2 VAL . 25800 1 6 3 ILE . 25800 1 7 4 ARG . 25800 1 8 5 GLU . 25800 1 9 6 SER . 25800 1 10 7 VAL . 25800 1 11 8 SER . 25800 1 12 9 ARG . 25800 1 13 10 ILE . 25800 1 14 11 TYR . 25800 1 15 12 VAL . 25800 1 16 13 GLY . 25800 1 17 14 ASN . 25800 1 18 15 LEU . 25800 1 19 16 PRO . 25800 1 20 17 SER . 25800 1 21 18 HIS . 25800 1 22 19 VAL . 25800 1 23 20 SER . 25800 1 24 21 SER . 25800 1 25 22 ARG . 25800 1 26 23 ASP . 25800 1 27 24 VAL . 25800 1 28 25 GLU . 25800 1 29 26 ASN . 25800 1 30 27 GLU . 25800 1 31 28 PHE . 25800 1 32 29 ARG . 25800 1 33 30 LYS . 25800 1 34 31 TYR . 25800 1 35 32 GLY . 25800 1 36 33 ASN . 25800 1 37 34 ILE . 25800 1 38 35 LEU . 25800 1 39 36 LYS . 25800 1 40 37 CYS . 25800 1 41 38 ASP . 25800 1 42 39 VAL . 25800 1 43 40 LYS . 25800 1 44 41 LYS . 25800 1 45 42 THR . 25800 1 46 43 VAL . 25800 1 47 44 SER . 25800 1 48 45 GLY . 25800 1 49 46 ALA . 25800 1 50 47 ALA . 25800 1 51 48 PHE . 25800 1 52 49 ALA . 25800 1 53 50 PHE . 25800 1 54 51 ILE . 25800 1 55 52 GLU . 25800 1 56 53 PHE . 25800 1 57 54 GLU . 25800 1 58 55 ASP . 25800 1 59 56 ALA . 25800 1 60 57 ARG . 25800 1 61 58 ASP . 25800 1 62 59 ALA . 25800 1 63 60 ALA . 25800 1 64 61 ASP . 25800 1 65 62 ALA . 25800 1 66 63 ILE . 25800 1 67 64 LYS . 25800 1 68 65 GLU . 25800 1 69 66 LYS . 25800 1 70 67 ASP . 25800 1 71 68 GLY . 25800 1 72 69 CYS . 25800 1 73 70 ASP . 25800 1 74 71 PHE . 25800 1 75 72 GLU . 25800 1 76 73 GLY . 25800 1 77 74 ASN . 25800 1 78 75 LYS . 25800 1 79 76 LEU . 25800 1 80 77 ARG . 25800 1 81 78 VAL . 25800 1 82 79 GLU . 25800 1 83 80 VAL . 25800 1 84 81 PRO . 25800 1 85 82 PHE . 25800 1 86 83 ASN . 25800 1 87 84 ALA . 25800 1 88 85 ARG . 25800 1 89 86 GLU . 25800 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 25800 1 . SER 2 2 25800 1 . HIS 3 3 25800 1 . MET 4 4 25800 1 . VAL 5 5 25800 1 . ILE 6 6 25800 1 . ARG 7 7 25800 1 . GLU 8 8 25800 1 . SER 9 9 25800 1 . VAL 10 10 25800 1 . SER 11 11 25800 1 . ARG 12 12 25800 1 . ILE 13 13 25800 1 . TYR 14 14 25800 1 . VAL 15 15 25800 1 . GLY 16 16 25800 1 . ASN 17 17 25800 1 . LEU 18 18 25800 1 . PRO 19 19 25800 1 . SER 20 20 25800 1 . HIS 21 21 25800 1 . VAL 22 22 25800 1 . SER 23 23 25800 1 . SER 24 24 25800 1 . ARG 25 25 25800 1 . ASP 26 26 25800 1 . VAL 27 27 25800 1 . GLU 28 28 25800 1 . ASN 29 29 25800 1 . GLU 30 30 25800 1 . PHE 31 31 25800 1 . ARG 32 32 25800 1 . LYS 33 33 25800 1 . TYR 34 34 25800 1 . GLY 35 35 25800 1 . ASN 36 36 25800 1 . ILE 37 37 25800 1 . LEU 38 38 25800 1 . LYS 39 39 25800 1 . CYS 40 40 25800 1 . ASP 41 41 25800 1 . VAL 42 42 25800 1 . LYS 43 43 25800 1 . LYS 44 44 25800 1 . THR 45 45 25800 1 . VAL 46 46 25800 1 . SER 47 47 25800 1 . GLY 48 48 25800 1 . ALA 49 49 25800 1 . ALA 50 50 25800 1 . PHE 51 51 25800 1 . ALA 52 52 25800 1 . PHE 53 53 25800 1 . ILE 54 54 25800 1 . GLU 55 55 25800 1 . PHE 56 56 25800 1 . GLU 57 57 25800 1 . ASP 58 58 25800 1 . ALA 59 59 25800 1 . ARG 60 60 25800 1 . ASP 61 61 25800 1 . ALA 62 62 25800 1 . ALA 63 63 25800 1 . ASP 64 64 25800 1 . ALA 65 65 25800 1 . ILE 66 66 25800 1 . LYS 67 67 25800 1 . GLU 68 68 25800 1 . LYS 69 69 25800 1 . ASP 70 70 25800 1 . GLY 71 71 25800 1 . CYS 72 72 25800 1 . ASP 73 73 25800 1 . PHE 74 74 25800 1 . GLU 75 75 25800 1 . GLY 76 76 25800 1 . ASN 77 77 25800 1 . LYS 78 78 25800 1 . LEU 79 79 25800 1 . ARG 80 80 25800 1 . VAL 81 81 25800 1 . GLU 82 82 25800 1 . VAL 83 83 25800 1 . PRO 84 84 25800 1 . PHE 85 85 25800 1 . ASN 86 86 25800 1 . ALA 87 87 25800 1 . ARG 88 88 25800 1 . GLU 89 89 25800 1 stop_ save_ save_RNA_(5'-R(*AP*CP*AP*UP*CP*A)-3') _Entity.Sf_category entity _Entity.Sf_framecode RNA_(5'-R(*AP*CP*AP*UP*CP*A)-3') _Entity.Entry_ID 25800 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name RNA_(5'-R(*AP*CP*AP*UP*CP*A)-3') _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; ACAUCA ; _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 6 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method syn _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1859.203 _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 1 101 A . 25800 2 2 102 C . 25800 2 3 103 A . 25800 2 4 104 U . 25800 2 5 105 C . 25800 2 6 106 A . 25800 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 . A 1 1 25800 2 . C 2 2 25800 2 . A 3 3 25800 2 . U 4 4 25800 2 . C 5 5 25800 2 . A 6 6 25800 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 25800 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $PfSR1-RRM1 . 5833 organism . 'Plasmodium falciparum' 'malaria parasite P. falciparum' . . Eukaryota . Plasmodium falciparum 3D7 . . . . . . . . . . PFE0865c . 25800 1 2 2 $RNA_(5'-R(*AP*CP*AP*UP*CP*A)-3') . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . . 25800 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 25800 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $PfSR1-RRM1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' CodonPlus . . . . pet28a . . . 25800 1 2 2 $RNA_(5'-R(*AP*CP*AP*UP*CP*A)-3') . 'chemical synthesis' . . . . . . . . . . . . . . . . 25800 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_H2O _Sample.Sf_category sample _Sample.Sf_framecode sample_H2O _Sample.Entry_ID 25800 _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 PfSR1-RRM1 '[U-100% 13C; U-100% 15N]' . . 1 $PfSR1-RRM1 . . . 0.5 1 mM . . . . 25800 1 2 "RNA (5'-R(*AP*CP*AP*UP*CP*A)-3')" 'natural abundance' . . 2 $RNA_(5'-R(*AP*CP*AP*UP*CP*A)-3') . . . 0.5 1 mM . . . . 25800 1 3 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 25800 1 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25800 1 5 TCEP 'natural abundance' . . . . . . 3 . . mM . . . . 25800 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25800 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25800 1 stop_ save_ save_sample_D2O _Sample.Sf_category sample _Sample.Sf_framecode sample_D2O _Sample.Entry_ID 25800 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 PfSR1-RRM1 '[U-100% 13C; U-100% 15N]' . . 1 $PfSR1-RRM1 . . . 0.5 1 mM . . . . 25800 2 2 "RNA (5'-R(*AP*CP*AP*UP*CP*A)-3')" 'natural abundance' . . 2 $RNA_(5'-R(*AP*CP*AP*UP*CP*A)-3') . . . 0.5 1 mM . . . . 25800 2 3 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 25800 2 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25800 2 5 TCEP 'natural abundance' . . . . . . 3 . . mM . . . . 25800 2 6 D2O 'natural abundance' . . . . . . 100 . . % . . . . 25800 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 25800 _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' 125 . mM 25800 1 pH 5.9 . pH 25800 1 pressure 1 . atm 25800 1 temperature 298 . K 25800 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25800 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 2.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25800 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25800 1 processing 25800 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 25800 _Software.ID 2 _Software.Type . _Software.Name CARA _Software.Version 1.8.4 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 25800 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25800 2 'data analysis' 25800 2 'peak picking' 25800 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25800 _Software.ID 3 _Software.Type . _Software.Name CYANA _Software.Version 3.97 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25800 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 25800 3 'structure solution' 25800 3 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 25800 _Software.ID 4 _Software.Type . _Software.Name AMBER _Software.Version 15 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 25800 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25800 4 'structure solution' 25800 4 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 25800 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25800 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25800 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 500 . . . 25800 1 2 spectrometer_2 Bruker Avance . 700 . . . 25800 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 25800 _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_H2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25800 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_H2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25800 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_H2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25800 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_H2O isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25800 1 5 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_H2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25800 1 6 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_H2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25800 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_H2O isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25800 1 8 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 2 $sample_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25800 1 9 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 2 $sample_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25800 1 10 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $sample_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25800 1 11 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25800 1 12 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_H2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25800 1 13 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 2 $sample_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25800 1 14 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_H2O isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25800 1 15 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $sample_D2O isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25800 1 16 '2D 13C(F1)-filtered, 13C(F2)-filtered 1H-1H NOESY' no . . . . . . . . . . 2 $sample_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25800 1 17 '2D 13C(F2)-edited 1H-1H NOESY aromatic' no . . . . . . . . . . 2 $sample_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25800 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 25800 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 25800 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25800 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25800 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 25800 _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' . . . 25800 1 4 '3D HNCACB' . . . 25800 1 5 '2D 1H-1H NOESY' . . . 25800 1 6 '2D 1H-1H TOCSY' . . . 25800 1 10 '2D 1H-1H TOCSY' . . . 25800 1 11 '2D 1H-1H NOESY' . . . 25800 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 2 $CARA . . 25800 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 HIS HA H 1 4.59 0.02 . 1 . . . . A 0 HIS HA . 25800 1 2 . 1 1 3 3 HIS C C 13 174 0.3 . 1 . . . . A 0 HIS C . 25800 1 3 . 1 1 3 3 HIS CA C 13 55.3 0.3 . 1 . . . . A 0 HIS CA . 25800 1 4 . 1 1 3 3 HIS CB C 13 29.3 0.3 . 1 . . . . A 0 HIS CB . 25800 1 5 . 1 1 4 4 MET H H 1 8.31 0.02 . 1 . . . . A 1 MET H . 25800 1 6 . 1 1 4 4 MET HA H 1 4.34 0.02 . 1 . . . . A 1 MET HA . 25800 1 7 . 1 1 4 4 MET HG2 H 1 2.41 0.02 . 2 . . . . A 1 MET HG2 . 25800 1 8 . 1 1 4 4 MET HG3 H 1 2.36 0.02 . 2 . . . . A 1 MET HG3 . 25800 1 9 . 1 1 4 4 MET C C 13 175.6 0.3 . 1 . . . . A 1 MET C . 25800 1 10 . 1 1 4 4 MET CA C 13 55.6 0.3 . 1 . . . . A 1 MET CA . 25800 1 11 . 1 1 4 4 MET CB C 13 32.8 0.3 . 1 . . . . A 1 MET CB . 25800 1 12 . 1 1 4 4 MET CG C 13 31.7 0.3 . 1 . . . . A 1 MET CG . 25800 1 13 . 1 1 4 4 MET N N 15 122.4 0.3 . 1 . . . . A 1 MET N . 25800 1 14 . 1 1 5 5 VAL H H 1 8.18 0.02 . 1 . . . . A 2 VAL H . 25800 1 15 . 1 1 5 5 VAL HA H 1 3.96 0.02 . 1 . . . . A 2 VAL HA . 25800 1 16 . 1 1 5 5 VAL HB H 1 1.87 0.02 . 1 . . . . A 2 VAL HB . 25800 1 17 . 1 1 5 5 VAL C C 13 175.6 0.3 . 1 . . . . A 2 VAL C . 25800 1 18 . 1 1 5 5 VAL CA C 13 62.3 0.3 . 1 . . . . A 2 VAL CA . 25800 1 19 . 1 1 5 5 VAL CB C 13 32.3 0.3 . 1 . . . . A 2 VAL CB . 25800 1 20 . 1 1 5 5 VAL CG1 C 13 20.9 0.3 . 1 . . . . A 2 VAL CG1 . 25800 1 21 . 1 1 5 5 VAL CG2 C 13 20.7 0.3 . 1 . . . . A 2 VAL CG2 . 25800 1 22 . 1 1 5 5 VAL N N 15 123.2 0.3 . 1 . . . . A 2 VAL N . 25800 1 23 . 1 1 6 6 ILE H H 1 8.23 0.02 . 1 . . . . A 3 ILE H . 25800 1 24 . 1 1 6 6 ILE HA H 1 4.05 0.02 . 1 . . . . A 3 ILE HA . 25800 1 25 . 1 1 6 6 ILE HB H 1 1.73 0.02 . 1 . . . . A 3 ILE HB . 25800 1 26 . 1 1 6 6 ILE HG12 H 1 1.36 0.02 . 2 . . . . A 3 ILE HG12 . 25800 1 27 . 1 1 6 6 ILE HG13 H 1 1.06 0.02 . 2 . . . . A 3 ILE HG13 . 25800 1 28 . 1 1 6 6 ILE C C 13 175.8 0.3 . 1 . . . . A 3 ILE C . 25800 1 29 . 1 1 6 6 ILE CA C 13 60.7 0.3 . 1 . . . . A 3 ILE CA . 25800 1 30 . 1 1 6 6 ILE CB C 13 38.3 0.3 . 1 . . . . A 3 ILE CB . 25800 1 31 . 1 1 6 6 ILE CG1 C 13 27.1 0.3 . 1 . . . . A 3 ILE CG1 . 25800 1 32 . 1 1 6 6 ILE CG2 C 13 17.3 0.3 . 1 . . . . A 3 ILE CG2 . 25800 1 33 . 1 1 6 6 ILE CD1 C 13 12.5 0.3 . 1 . . . . A 3 ILE CD1 . 25800 1 34 . 1 1 6 6 ILE N N 15 126.2 0.3 . 1 . . . . A 3 ILE N . 25800 1 35 . 1 1 7 7 ARG H H 1 8.36 0.02 . 1 . . . . A 4 ARG H . 25800 1 36 . 1 1 7 7 ARG HA H 1 4.18 0.02 . 1 . . . . A 4 ARG HA . 25800 1 37 . 1 1 7 7 ARG HG2 H 1 1.53 0.02 . 2 . . . . A 4 ARG HG2 . 25800 1 38 . 1 1 7 7 ARG HG3 H 1 1.47 0.02 . 2 . . . . A 4 ARG HG3 . 25800 1 39 . 1 1 7 7 ARG C C 13 175.9 0.3 . 1 . . . . A 4 ARG C . 25800 1 40 . 1 1 7 7 ARG CA C 13 56 0.3 . 1 . . . . A 4 ARG CA . 25800 1 41 . 1 1 7 7 ARG CB C 13 30.7 0.3 . 1 . . . . A 4 ARG CB . 25800 1 42 . 1 1 7 7 ARG CG C 13 27.1 0.3 . 1 . . . . A 4 ARG CG . 25800 1 43 . 1 1 7 7 ARG CD C 13 43.2 0.3 . 1 . . . . A 4 ARG CD . 25800 1 44 . 1 1 7 7 ARG N N 15 126.1 0.3 . 1 . . . . A 4 ARG N . 25800 1 45 . 1 1 8 8 GLU H H 1 8.4 0.02 . 1 . . . . A 5 GLU H . 25800 1 46 . 1 1 8 8 GLU HA H 1 4.14 0.02 . 1 . . . . A 5 GLU HA . 25800 1 47 . 1 1 8 8 GLU HB2 H 1 1.95 0.02 . 2 . . . . A 5 GLU HB2 . 25800 1 48 . 1 1 8 8 GLU HB3 H 1 1.83 0.02 . 2 . . . . A 5 GLU HB3 . 25800 1 49 . 1 1 8 8 GLU C C 13 176.1 0.3 . 1 . . . . A 5 GLU C . 25800 1 50 . 1 1 8 8 GLU CA C 13 56.6 0.3 . 1 . . . . A 5 GLU CA . 25800 1 51 . 1 1 8 8 GLU CB C 13 30.3 0.3 . 1 . . . . A 5 GLU CB . 25800 1 52 . 1 1 8 8 GLU CG C 13 36 0.3 . 1 . . . . A 5 GLU CG . 25800 1 53 . 1 1 8 8 GLU N N 15 122.2 0.3 . 1 . . . . A 5 GLU N . 25800 1 54 . 1 1 9 9 SER H H 1 8.27 0.02 . 1 . . . . A 6 SER H . 25800 1 55 . 1 1 9 9 SER HA H 1 4.35 0.02 . 1 . . . . A 6 SER HA . 25800 1 56 . 1 1 9 9 SER C C 13 174.3 0.3 . 1 . . . . A 6 SER C . 25800 1 57 . 1 1 9 9 SER CA C 13 58.2 0.3 . 1 . . . . A 6 SER CA . 25800 1 58 . 1 1 9 9 SER CB C 13 63.8 0.3 . 1 . . . . A 6 SER CB . 25800 1 59 . 1 1 9 9 SER N N 15 116.2 0.3 . 1 . . . . A 6 SER N . 25800 1 60 . 1 1 10 10 VAL H H 1 7.84 0.02 . 1 . . . . A 7 VAL H . 25800 1 61 . 1 1 10 10 VAL HA H 1 4.3 0.02 . 1 . . . . A 7 VAL HA . 25800 1 62 . 1 1 10 10 VAL HB H 1 2.13 0.02 . 1 . . . . A 7 VAL HB . 25800 1 63 . 1 1 10 10 VAL C C 13 175.5 0.3 . 1 . . . . A 7 VAL C . 25800 1 64 . 1 1 10 10 VAL CA C 13 61.7 0.3 . 1 . . . . A 7 VAL CA . 25800 1 65 . 1 1 10 10 VAL CB C 13 32.8 0.3 . 1 . . . . A 7 VAL CB . 25800 1 66 . 1 1 10 10 VAL CG1 C 13 20.8 0.3 . 1 . . . . A 7 VAL CG1 . 25800 1 67 . 1 1 10 10 VAL CG2 C 13 19.9 0.3 . 1 . . . . A 7 VAL CG2 . 25800 1 68 . 1 1 10 10 VAL N N 15 119.8 0.3 . 1 . . . . A 7 VAL N . 25800 1 69 . 1 1 11 11 SER H H 1 8.53 0.02 . 1 . . . . A 8 SER H . 25800 1 70 . 1 1 11 11 SER HA H 1 4.24 0.02 . 1 . . . . A 8 SER HA . 25800 1 71 . 1 1 11 11 SER HB2 H 1 3.96 0.02 . 2 . . . . A 8 SER HB2 . 25800 1 72 . 1 1 11 11 SER HB3 H 1 3.53 0.02 . 2 . . . . A 8 SER HB3 . 25800 1 73 . 1 1 11 11 SER C C 13 172.5 0.3 . 1 . . . . A 8 SER C . 25800 1 74 . 1 1 11 11 SER CA C 13 58.5 0.3 . 1 . . . . A 8 SER CA . 25800 1 75 . 1 1 11 11 SER CB C 13 63.6 0.3 . 1 . . . . A 8 SER CB . 25800 1 76 . 1 1 11 11 SER N N 15 117.8 0.3 . 1 . . . . A 8 SER N . 25800 1 77 . 1 1 12 12 ARG H H 1 7.35 0.02 . 1 . . . . A 9 ARG H . 25800 1 78 . 1 1 12 12 ARG HA H 1 5.5 0.02 . 1 . . . . A 9 ARG HA . 25800 1 79 . 1 1 12 12 ARG HG2 H 1 1.43 0.02 . 2 . . . . A 9 ARG HG2 . 25800 1 80 . 1 1 12 12 ARG HG3 H 1 1.34 0.02 . 2 . . . . A 9 ARG HG3 . 25800 1 81 . 1 1 12 12 ARG C C 13 175 0.3 . 1 . . . . A 9 ARG C . 25800 1 82 . 1 1 12 12 ARG CA C 13 54.3 0.3 . 1 . . . . A 9 ARG CA . 25800 1 83 . 1 1 12 12 ARG CB C 13 33.4 0.3 . 1 . . . . A 9 ARG CB . 25800 1 84 . 1 1 12 12 ARG CG C 13 28.2 0.3 . 1 . . . . A 9 ARG CG . 25800 1 85 . 1 1 12 12 ARG CD C 13 43.7 0.3 . 1 . . . . A 9 ARG CD . 25800 1 86 . 1 1 12 12 ARG N N 15 123 0.3 . 1 . . . . A 9 ARG N . 25800 1 87 . 1 1 13 13 ILE H H 1 8.83 0.02 . 1 . . . . A 10 ILE H . 25800 1 88 . 1 1 13 13 ILE HA H 1 4.82 0.02 . 1 . . . . A 10 ILE HA . 25800 1 89 . 1 1 13 13 ILE HB H 1 1.69 0.02 . 1 . . . . A 10 ILE HB . 25800 1 90 . 1 1 13 13 ILE HG12 H 1 1.08 0.02 . 2 . . . . A 10 ILE HG12 . 25800 1 91 . 1 1 13 13 ILE HG13 H 1 0.85 0.02 . 2 . . . . A 10 ILE HG13 . 25800 1 92 . 1 1 13 13 ILE C C 13 173 0.3 . 1 . . . . A 10 ILE C . 25800 1 93 . 1 1 13 13 ILE CA C 13 59.4 0.3 . 1 . . . . A 10 ILE CA . 25800 1 94 . 1 1 13 13 ILE CB C 13 40.9 0.3 . 1 . . . . A 10 ILE CB . 25800 1 95 . 1 1 13 13 ILE CG1 C 13 24 0.3 . 1 . . . . A 10 ILE CG1 . 25800 1 96 . 1 1 13 13 ILE CG2 C 13 18.4 0.3 . 1 . . . . A 10 ILE CG2 . 25800 1 97 . 1 1 13 13 ILE CD1 C 13 14.5 0.3 . 1 . . . . A 10 ILE CD1 . 25800 1 98 . 1 1 13 13 ILE N N 15 114 0.3 . 1 . . . . A 10 ILE N . 25800 1 99 . 1 1 14 14 TYR H H 1 8.69 0.02 . 1 . . . . A 11 TYR H . 25800 1 100 . 1 1 14 14 TYR HA H 1 4.93 0.02 . 1 . . . . A 11 TYR HA . 25800 1 101 . 1 1 14 14 TYR HB2 H 1 2.62 0.02 . 2 . . . . A 11 TYR HB2 . 25800 1 102 . 1 1 14 14 TYR HB3 H 1 2.56 0.02 . 2 . . . . A 11 TYR HB3 . 25800 1 103 . 1 1 14 14 TYR HD2 H 1 6.05 0.02 . 1 . . . . A 11 TYR HD2 . 25800 1 104 . 1 1 14 14 TYR HE2 H 1 5.82 0.02 . 1 . . . . A 11 TYR HE2 . 25800 1 105 . 1 1 14 14 TYR C C 13 173 0.3 . 1 . . . . A 11 TYR C . 25800 1 106 . 1 1 14 14 TYR CA C 13 56 0.3 . 1 . . . . A 11 TYR CA . 25800 1 107 . 1 1 14 14 TYR CB C 13 40.9 0.3 . 1 . . . . A 11 TYR CB . 25800 1 108 . 1 1 14 14 TYR CD2 C 13 132.5 0.3 . 1 . . . . A 11 TYR CD2 . 25800 1 109 . 1 1 14 14 TYR CE2 C 13 117.8 0.3 . 1 . . . . A 11 TYR CE2 . 25800 1 110 . 1 1 14 14 TYR N N 15 123.4 0.3 . 1 . . . . A 11 TYR N . 25800 1 111 . 1 1 15 15 VAL H H 1 8.37 0.02 . 1 . . . . A 12 VAL H . 25800 1 112 . 1 1 15 15 VAL HA H 1 4.56 0.02 . 1 . . . . A 12 VAL HA . 25800 1 113 . 1 1 15 15 VAL HB H 1 1.51 0.02 . 1 . . . . A 12 VAL HB . 25800 1 114 . 1 1 15 15 VAL C C 13 174.1 0.3 . 1 . . . . A 12 VAL C . 25800 1 115 . 1 1 15 15 VAL CA C 13 60.2 0.3 . 1 . . . . A 12 VAL CA . 25800 1 116 . 1 1 15 15 VAL CB C 13 33.4 0.3 . 1 . . . . A 12 VAL CB . 25800 1 117 . 1 1 15 15 VAL CG1 C 13 20.7 0.3 . 1 . . . . A 12 VAL CG1 . 25800 1 118 . 1 1 15 15 VAL CG2 C 13 22.5 0.3 . 1 . . . . A 12 VAL CG2 . 25800 1 119 . 1 1 15 15 VAL N N 15 126.3 0.3 . 1 . . . . A 12 VAL N . 25800 1 120 . 1 1 16 16 GLY H H 1 9.35 0.02 . 1 . . . . A 13 GLY H . 25800 1 121 . 1 1 16 16 GLY HA2 H 1 4.42 0.02 . 2 . . . . A 13 GLY HA2 . 25800 1 122 . 1 1 16 16 GLY HA3 H 1 3.48 0.02 . 2 . . . . A 13 GLY HA3 . 25800 1 123 . 1 1 16 16 GLY C C 13 173.1 0.3 . 1 . . . . A 13 GLY C . 25800 1 124 . 1 1 16 16 GLY CA C 13 43.3 0.3 . 1 . . . . A 13 GLY CA . 25800 1 125 . 1 1 16 16 GLY N N 15 113 0.3 . 1 . . . . A 13 GLY N . 25800 1 126 . 1 1 17 17 ASN H H 1 8.8 0.02 . 1 . . . . A 14 ASN H . 25800 1 127 . 1 1 17 17 ASN HA H 1 4.28 0.02 . 1 . . . . A 14 ASN HA . 25800 1 128 . 1 1 17 17 ASN HB2 H 1 3.63 0.02 . 2 . . . . A 14 ASN HB2 . 25800 1 129 . 1 1 17 17 ASN HB3 H 1 2.46 0.02 . 2 . . . . A 14 ASN HB3 . 25800 1 130 . 1 1 17 17 ASN C C 13 175.8 0.3 . 1 . . . . A 14 ASN C . 25800 1 131 . 1 1 17 17 ASN CA C 13 53.6 0.3 . 1 . . . . A 14 ASN CA . 25800 1 132 . 1 1 17 17 ASN CB C 13 37.7 0.3 . 1 . . . . A 14 ASN CB . 25800 1 133 . 1 1 17 17 ASN N N 15 113.9 0.3 . 1 . . . . A 14 ASN N . 25800 1 134 . 1 1 18 18 LEU H H 1 7.15 0.02 . 1 . . . . A 15 LEU H . 25800 1 135 . 1 1 18 18 LEU HA H 1 4.99 0.02 . 1 . . . . A 15 LEU HA . 25800 1 136 . 1 1 18 18 LEU HB2 H 1 1.15 0.02 . 2 . . . . A 15 LEU HB2 . 25800 1 137 . 1 1 18 18 LEU HB3 H 1 0.98 0.02 . 2 . . . . A 15 LEU HB3 . 25800 1 138 . 1 1 18 18 LEU CA C 13 55.6 0.3 . 1 . . . . A 15 LEU CA . 25800 1 139 . 1 1 18 18 LEU CB C 13 41.6 0.3 . 1 . . . . A 15 LEU CB . 25800 1 140 . 1 1 18 18 LEU CD1 C 13 26.7 0.3 . 1 . . . . A 15 LEU CD1 . 25800 1 141 . 1 1 18 18 LEU N N 15 115.8 0.3 . 1 . . . . A 15 LEU N . 25800 1 142 . 1 1 19 19 PRO HA H 1 4.07 0.02 . 1 . . . . A 16 PRO HA . 25800 1 143 . 1 1 19 19 PRO HB2 H 1 2.33 0.02 . 2 . . . . A 16 PRO HB2 . 25800 1 144 . 1 1 19 19 PRO HB3 H 1 1.96 0.02 . 2 . . . . A 16 PRO HB3 . 25800 1 145 . 1 1 19 19 PRO HG2 H 1 1.28 0.02 . 2 . . . . A 16 PRO HG2 . 25800 1 146 . 1 1 19 19 PRO HG3 H 1 1.24 0.02 . 2 . . . . A 16 PRO HG3 . 25800 1 147 . 1 1 19 19 PRO HD2 H 1 3.68 0.02 . 2 . . . . A 16 PRO HD2 . 25800 1 148 . 1 1 19 19 PRO HD3 H 1 3.17 0.02 . 2 . . . . A 16 PRO HD3 . 25800 1 149 . 1 1 19 19 PRO C C 13 171.48 0.3 . 1 . . . . A 16 PRO C . 25800 1 150 . 1 1 19 19 PRO CA C 13 62.5 0.3 . 1 . . . . A 16 PRO CA . 25800 1 151 . 1 1 19 19 PRO CB C 13 32 0.3 . 1 . . . . A 16 PRO CB . 25800 1 152 . 1 1 19 19 PRO CG C 13 28.9 0.3 . 1 . . . . A 16 PRO CG . 25800 1 153 . 1 1 19 19 PRO CD C 13 50 0.3 . 1 . . . . A 16 PRO CD . 25800 1 154 . 1 1 20 20 SER H H 1 8.47 0.02 . 1 . . . . A 17 SER H . 25800 1 155 . 1 1 20 20 SER HA H 1 4.3 0.02 . 1 . . . . A 17 SER HA . 25800 1 156 . 1 1 20 20 SER C C 13 174.2 0.3 . 1 . . . . A 17 SER C . 25800 1 157 . 1 1 20 20 SER CA C 13 58.2 0.3 . 1 . . . . A 17 SER CA . 25800 1 158 . 1 1 20 20 SER CB C 13 63.9 0.3 . 1 . . . . A 17 SER CB . 25800 1 159 . 1 1 20 20 SER N N 15 115.2 0.3 . 1 . . . . A 17 SER N . 25800 1 160 . 1 1 21 21 HIS H H 1 8.54 0.02 . 1 . . . . A 18 HIS H . 25800 1 161 . 1 1 21 21 HIS HA H 1 4.55 0.02 . 1 . . . . A 18 HIS HA . 25800 1 162 . 1 1 21 21 HIS HB2 H 1 3.13 0.02 . 2 . . . . A 18 HIS HB2 . 25800 1 163 . 1 1 21 21 HIS HB3 H 1 3.03 0.02 . 2 . . . . A 18 HIS HB3 . 25800 1 164 . 1 1 21 21 HIS C C 13 175.1 0.3 . 1 . . . . A 18 HIS C . 25800 1 165 . 1 1 21 21 HIS CA C 13 55.5 0.3 . 1 . . . . A 18 HIS CA . 25800 1 166 . 1 1 21 21 HIS CB C 13 29.3 0.3 . 1 . . . . A 18 HIS CB . 25800 1 167 . 1 1 21 21 HIS N N 15 120.8 0.3 . 1 . . . . A 18 HIS N . 25800 1 168 . 1 1 22 22 VAL H H 1 6.65 0.02 . 1 . . . . A 19 VAL H . 25800 1 169 . 1 1 22 22 VAL HA H 1 4.26 0.02 . 1 . . . . A 19 VAL HA . 25800 1 170 . 1 1 22 22 VAL HB H 1 2.08 0.02 . 1 . . . . A 19 VAL HB . 25800 1 171 . 1 1 22 22 VAL C C 13 174 0.3 . 1 . . . . A 19 VAL C . 25800 1 172 . 1 1 22 22 VAL CA C 13 61.9 0.3 . 1 . . . . A 19 VAL CA . 25800 1 173 . 1 1 22 22 VAL CB C 13 32.6 0.3 . 1 . . . . A 19 VAL CB . 25800 1 174 . 1 1 22 22 VAL CG1 C 13 22.2 0.3 . 1 . . . . A 19 VAL CG1 . 25800 1 175 . 1 1 22 22 VAL CG2 C 13 22.5 0.3 . 1 . . . . A 19 VAL CG2 . 25800 1 176 . 1 1 22 22 VAL N N 15 115.7 0.3 . 1 . . . . A 19 VAL N . 25800 1 177 . 1 1 23 23 SER H H 1 8.93 0.02 . 1 . . . . A 20 SER H . 25800 1 178 . 1 1 23 23 SER HA H 1 4.71 0.02 . 1 . . . . A 20 SER HA . 25800 1 179 . 1 1 23 23 SER HB2 H 1 4.22 0.02 . 2 . . . . A 20 SER HB2 . 25800 1 180 . 1 1 23 23 SER HB3 H 1 3.92 0.02 . 2 . . . . A 20 SER HB3 . 25800 1 181 . 1 1 23 23 SER C C 13 175.9 0.3 . 1 . . . . A 20 SER C . 25800 1 182 . 1 1 23 23 SER CA C 13 55.8 0.3 . 1 . . . . A 20 SER CA . 25800 1 183 . 1 1 23 23 SER CB C 13 66.6 0.3 . 1 . . . . A 20 SER CB . 25800 1 184 . 1 1 23 23 SER N N 15 118.8 0.3 . 1 . . . . A 20 SER N . 25800 1 185 . 1 1 24 24 SER H H 1 9.08 0.02 . 1 . . . . A 21 SER H . 25800 1 186 . 1 1 24 24 SER HA H 1 3.88 0.02 . 1 . . . . A 21 SER HA . 25800 1 187 . 1 1 24 24 SER C C 13 176.2 0.3 . 1 . . . . A 21 SER C . 25800 1 188 . 1 1 24 24 SER CA C 13 62.3 0.3 . 1 . . . . A 21 SER CA . 25800 1 189 . 1 1 24 24 SER CB C 13 66.8 0.3 . 1 . . . . A 21 SER CB . 25800 1 190 . 1 1 24 24 SER N N 15 117.1 0.3 . 1 . . . . A 21 SER N . 25800 1 191 . 1 1 25 25 ARG H H 1 7.94 0.02 . 1 . . . . A 22 ARG H . 25800 1 192 . 1 1 25 25 ARG HA H 1 3.99 0.02 . 1 . . . . A 22 ARG HA . 25800 1 193 . 1 1 25 25 ARG HB2 H 1 1.73 0.02 . 2 . . . . A 22 ARG HB2 . 25800 1 194 . 1 1 25 25 ARG HB3 H 1 1.63 0.02 . 2 . . . . A 22 ARG HB3 . 25800 1 195 . 1 1 25 25 ARG C C 13 177.9 0.3 . 1 . . . . A 22 ARG C . 25800 1 196 . 1 1 25 25 ARG CA C 13 58.7 0.3 . 1 . . . . A 22 ARG CA . 25800 1 197 . 1 1 25 25 ARG CB C 13 29.6 0.3 . 1 . . . . A 22 ARG CB . 25800 1 198 . 1 1 25 25 ARG CG C 13 26.7 0.3 . 1 . . . . A 22 ARG CG . 25800 1 199 . 1 1 25 25 ARG CD C 13 43.2 0.3 . 1 . . . . A 22 ARG CD . 25800 1 200 . 1 1 25 25 ARG N N 15 121.2 0.3 . 1 . . . . A 22 ARG N . 25800 1 201 . 1 1 26 26 ASP H H 1 7.48 0.02 . 1 . . . . A 23 ASP H . 25800 1 202 . 1 1 26 26 ASP HA H 1 4.39 0.02 . 1 . . . . A 23 ASP HA . 25800 1 203 . 1 1 26 26 ASP HB2 H 1 2.99 0.02 . 2 . . . . A 23 ASP HB2 . 25800 1 204 . 1 1 26 26 ASP HB3 H 1 2.73 0.02 . 2 . . . . A 23 ASP HB3 . 25800 1 205 . 1 1 26 26 ASP C C 13 179.2 0.3 . 1 . . . . A 23 ASP C . 25800 1 206 . 1 1 26 26 ASP CA C 13 57.3 0.3 . 1 . . . . A 23 ASP CA . 25800 1 207 . 1 1 26 26 ASP CB C 13 41 0.3 . 1 . . . . A 23 ASP CB . 25800 1 208 . 1 1 26 26 ASP N N 15 118.8 0.3 . 1 . . . . A 23 ASP N . 25800 1 209 . 1 1 27 27 VAL H H 1 7.45 0.02 . 1 . . . . A 24 VAL H . 25800 1 210 . 1 1 27 27 VAL HA H 1 3.37 0.02 . 1 . . . . A 24 VAL HA . 25800 1 211 . 1 1 27 27 VAL HB H 1 1.76 0.02 . 1 . . . . A 24 VAL HB . 25800 1 212 . 1 1 27 27 VAL C C 13 177.5 0.3 . 1 . . . . A 24 VAL C . 25800 1 213 . 1 1 27 27 VAL CA C 13 66.9 0.3 . 1 . . . . A 24 VAL CA . 25800 1 214 . 1 1 27 27 VAL CB C 13 31.4 0.3 . 1 . . . . A 24 VAL CB . 25800 1 215 . 1 1 27 27 VAL CG1 C 13 24.3 0.3 . 1 . . . . A 24 VAL CG1 . 25800 1 216 . 1 1 27 27 VAL CG2 C 13 24.2 0.3 . 1 . . . . A 24 VAL CG2 . 25800 1 217 . 1 1 27 27 VAL N N 15 119.5 0.3 . 1 . . . . A 24 VAL N . 25800 1 218 . 1 1 28 28 GLU H H 1 8.58 0.02 . 1 . . . . A 25 GLU H . 25800 1 219 . 1 1 28 28 GLU HA H 1 3.57 0.02 . 1 . . . . A 25 GLU HA . 25800 1 220 . 1 1 28 28 GLU HB2 H 1 2.09 0.02 . 2 . . . . A 25 GLU HB2 . 25800 1 221 . 1 1 28 28 GLU HB3 H 1 1.97 0.02 . 2 . . . . A 25 GLU HB3 . 25800 1 222 . 1 1 28 28 GLU C C 13 178.4 0.3 . 1 . . . . A 25 GLU C . 25800 1 223 . 1 1 28 28 GLU CA C 13 60.6 0.3 . 1 . . . . A 25 GLU CA . 25800 1 224 . 1 1 28 28 GLU CB C 13 29.6 0.3 . 1 . . . . A 25 GLU CB . 25800 1 225 . 1 1 28 28 GLU CG C 13 36.6 0.3 . 1 . . . . A 25 GLU CG . 25800 1 226 . 1 1 28 28 GLU N N 15 121.4 0.3 . 1 . . . . A 25 GLU N . 25800 1 227 . 1 1 29 29 ASN H H 1 8.18 0.02 . 1 . . . . A 26 ASN H . 25800 1 228 . 1 1 29 29 ASN HA H 1 4.32 0.02 . 1 . . . . A 26 ASN HA . 25800 1 229 . 1 1 29 29 ASN HB2 H 1 2.92 0.02 . 2 . . . . A 26 ASN HB2 . 25800 1 230 . 1 1 29 29 ASN HB3 H 1 2.8 0.02 . 2 . . . . A 26 ASN HB3 . 25800 1 231 . 1 1 29 29 ASN C C 13 177.4 0.3 . 1 . . . . A 26 ASN C . 25800 1 232 . 1 1 29 29 ASN CA C 13 55.9 0.3 . 1 . . . . A 26 ASN CA . 25800 1 233 . 1 1 29 29 ASN CB C 13 37.9 0.3 . 1 . . . . A 26 ASN CB . 25800 1 234 . 1 1 29 29 ASN N N 15 114.8 0.3 . 1 . . . . A 26 ASN N . 25800 1 235 . 1 1 30 30 GLU H H 1 7.34 0.02 . 1 . . . . A 27 GLU H . 25800 1 236 . 1 1 30 30 GLU HA H 1 4.14 0.02 . 1 . . . . A 27 GLU HA . 25800 1 237 . 1 1 30 30 GLU HG2 H 1 1.78 0.02 . 2 . . . . A 27 GLU HG2 . 25800 1 238 . 1 1 30 30 GLU HG3 H 1 1.49 0.02 . 2 . . . . A 27 GLU HG3 . 25800 1 239 . 1 1 30 30 GLU C C 13 176.4 0.3 . 1 . . . . A 27 GLU C . 25800 1 240 . 1 1 30 30 GLU CA C 13 57.4 0.3 . 1 . . . . A 27 GLU CA . 25800 1 241 . 1 1 30 30 GLU CB C 13 29.4 0.3 . 1 . . . . A 27 GLU CB . 25800 1 242 . 1 1 30 30 GLU CG C 13 34.5 0.3 . 1 . . . . A 27 GLU CG . 25800 1 243 . 1 1 30 30 GLU N N 15 118.9 0.3 . 1 . . . . A 27 GLU N . 25800 1 244 . 1 1 31 31 PHE H H 1 7.66 0.02 . 1 . . . . A 28 PHE H . 25800 1 245 . 1 1 31 31 PHE HA H 1 4.55 0.02 . 1 . . . . A 28 PHE HA . 25800 1 246 . 1 1 31 31 PHE HB2 H 1 3.42 0.02 . 2 . . . . A 28 PHE HB2 . 25800 1 247 . 1 1 31 31 PHE HB3 H 1 2.61 0.02 . 2 . . . . A 28 PHE HB3 . 25800 1 248 . 1 1 31 31 PHE HD1 H 1 7.42 0.02 . 1 . . . . A 28 PHE HD1 . 25800 1 249 . 1 1 31 31 PHE HE1 H 1 6.71 0.02 . 1 . . . . A 28 PHE HE1 . 25800 1 250 . 1 1 31 31 PHE C C 13 176.3 0.3 . 1 . . . . A 28 PHE C . 25800 1 251 . 1 1 31 31 PHE CA C 13 60 0.3 . 1 . . . . A 28 PHE CA . 25800 1 252 . 1 1 31 31 PHE CB C 13 40.8 0.3 . 1 . . . . A 28 PHE CB . 25800 1 253 . 1 1 31 31 PHE CD1 C 13 131.9 0.3 . 1 . . . . A 28 PHE CD1 . 25800 1 254 . 1 1 31 31 PHE CE1 C 13 130 0.3 . 1 . . . . A 28 PHE CE1 . 25800 1 255 . 1 1 31 31 PHE N N 15 114.1 0.3 . 1 . . . . A 28 PHE N . 25800 1 256 . 1 1 32 32 ARG H H 1 8.12 0.02 . 1 . . . . A 29 ARG H . 25800 1 257 . 1 1 32 32 ARG HA H 1 4.41 0.02 . 1 . . . . A 29 ARG HA . 25800 1 258 . 1 1 32 32 ARG HB2 H 1 2.02 0.02 . 2 . . . . A 29 ARG HB2 . 25800 1 259 . 1 1 32 32 ARG HB3 H 1 1.82 0.02 . 2 . . . . A 29 ARG HB3 . 25800 1 260 . 1 1 32 32 ARG HG2 H 1 1.74 0.02 . 2 . . . . A 29 ARG HG2 . 25800 1 261 . 1 1 32 32 ARG HG3 H 1 1.58 0.02 . 2 . . . . A 29 ARG HG3 . 25800 1 262 . 1 1 32 32 ARG C C 13 177.1 0.3 . 1 . . . . A 29 ARG C . 25800 1 263 . 1 1 32 32 ARG CA C 13 58.2 0.3 . 1 . . . . A 29 ARG CA . 25800 1 264 . 1 1 32 32 ARG CB C 13 29.3 0.3 . 1 . . . . A 29 ARG CB . 25800 1 265 . 1 1 32 32 ARG CG C 13 27 0.3 . 1 . . . . A 29 ARG CG . 25800 1 266 . 1 1 32 32 ARG CD C 13 43.6 0.3 . 1 . . . . A 29 ARG CD . 25800 1 267 . 1 1 32 32 ARG N N 15 121.7 0.3 . 1 . . . . A 29 ARG N . 25800 1 268 . 1 1 33 33 LYS H H 1 7.63 0.02 . 1 . . . . A 30 LYS H . 25800 1 269 . 1 1 33 33 LYS HA H 1 3.83 0.02 . 1 . . . . A 30 LYS HA . 25800 1 270 . 1 1 33 33 LYS HB2 H 1 1.35 0.02 . 2 . . . . A 30 LYS HB2 . 25800 1 271 . 1 1 33 33 LYS HB3 H 1 1.11 0.02 . 2 . . . . A 30 LYS HB3 . 25800 1 272 . 1 1 33 33 LYS HG2 H 1 0.73 0.02 . 2 . . . . A 30 LYS HG2 . 25800 1 273 . 1 1 33 33 LYS HG3 H 1 0.26 0.02 . 2 . . . . A 30 LYS HG3 . 25800 1 274 . 1 1 33 33 LYS C C 13 177.1 0.3 . 1 . . . . A 30 LYS C . 25800 1 275 . 1 1 33 33 LYS CA C 13 57.8 0.3 . 1 . . . . A 30 LYS CA . 25800 1 276 . 1 1 33 33 LYS CB C 13 31.1 0.3 . 1 . . . . A 30 LYS CB . 25800 1 277 . 1 1 33 33 LYS CG C 13 23 0.3 . 1 . . . . A 30 LYS CG . 25800 1 278 . 1 1 33 33 LYS CD C 13 29.8 0.3 . 1 . . . . A 30 LYS CD . 25800 1 279 . 1 1 33 33 LYS CE C 13 41.6 0.3 . 1 . . . . A 30 LYS CE . 25800 1 280 . 1 1 33 33 LYS N N 15 117.2 0.3 . 1 . . . . A 30 LYS N . 25800 1 281 . 1 1 34 34 TYR H H 1 7.41 0.02 . 1 . . . . A 31 TYR H . 25800 1 282 . 1 1 34 34 TYR HA H 1 4.15 0.02 . 1 . . . . A 31 TYR HA . 25800 1 283 . 1 1 34 34 TYR HB2 H 1 3.13 0.02 . 2 . . . . A 31 TYR HB2 . 25800 1 284 . 1 1 34 34 TYR HB3 H 1 2.71 0.02 . 2 . . . . A 31 TYR HB3 . 25800 1 285 . 1 1 34 34 TYR HD1 H 1 7.3 0.02 . 1 . . . . A 31 TYR HD1 . 25800 1 286 . 1 1 34 34 TYR HE1 H 1 6.35 0.02 . 1 . . . . A 31 TYR HE1 . 25800 1 287 . 1 1 34 34 TYR C C 13 174.4 0.3 . 1 . . . . A 31 TYR C . 25800 1 288 . 1 1 34 34 TYR CA C 13 59.9 0.3 . 1 . . . . A 31 TYR CA . 25800 1 289 . 1 1 34 34 TYR CB C 13 37.9 0.3 . 1 . . . . A 31 TYR CB . 25800 1 290 . 1 1 34 34 TYR CD1 C 13 132.9 0.3 . 1 . . . . A 31 TYR CD1 . 25800 1 291 . 1 1 34 34 TYR CE1 C 13 117.7 0.3 . 1 . . . . A 31 TYR CE1 . 25800 1 292 . 1 1 34 34 TYR N N 15 117.1 0.3 . 1 . . . . A 31 TYR N . 25800 1 293 . 1 1 35 35 GLY H H 1 7.24 0.02 . 1 . . . . A 32 GLY H . 25800 1 294 . 1 1 35 35 GLY HA2 H 1 4.48 0.02 . 2 . . . . A 32 GLY HA2 . 25800 1 295 . 1 1 35 35 GLY HA3 H 1 3.64 0.02 . 2 . . . . A 32 GLY HA3 . 25800 1 296 . 1 1 35 35 GLY C C 13 176.75 0.3 . 1 . . . . A 32 GLY C . 25800 1 297 . 1 1 35 35 GLY CA C 13 44.5 0.3 . 1 . . . . A 32 GLY CA . 25800 1 298 . 1 1 35 35 GLY N N 15 104.1 0.3 . 1 . . . . A 32 GLY N . 25800 1 299 . 1 1 36 36 ASN H H 1 8.46 0.02 . 1 . . . . A 33 ASN H . 25800 1 300 . 1 1 36 36 ASN HA H 1 4.44 0.02 . 1 . . . . A 33 ASN HA . 25800 1 301 . 1 1 36 36 ASN HB2 H 1 2.69 0.02 . 2 . . . . A 33 ASN HB2 . 25800 1 302 . 1 1 36 36 ASN HB3 H 1 2.65 0.02 . 2 . . . . A 33 ASN HB3 . 25800 1 303 . 1 1 36 36 ASN C C 13 175.5 0.3 . 1 . . . . A 33 ASN C . 25800 1 304 . 1 1 36 36 ASN CA C 13 54.3 0.3 . 1 . . . . A 33 ASN CA . 25800 1 305 . 1 1 36 36 ASN CB C 13 38.4 0.3 . 1 . . . . A 33 ASN CB . 25800 1 306 . 1 1 36 36 ASN N N 15 115.3 0.3 . 1 . . . . A 33 ASN N . 25800 1 307 . 1 1 37 37 ILE H H 1 8.05 0.02 . 1 . . . . A 34 ILE H . 25800 1 308 . 1 1 37 37 ILE HA H 1 3.79 0.02 . 1 . . . . A 34 ILE HA . 25800 1 309 . 1 1 37 37 ILE HB H 1 1.42 0.02 . 1 . . . . A 34 ILE HB . 25800 1 310 . 1 1 37 37 ILE C C 13 175.6 0.3 . 1 . . . . A 34 ILE C . 25800 1 311 . 1 1 37 37 ILE CA C 13 61.3 0.3 . 1 . . . . A 34 ILE CA . 25800 1 312 . 1 1 37 37 ILE CB C 13 40 0.3 . 1 . . . . A 34 ILE CB . 25800 1 313 . 1 1 37 37 ILE CG1 C 13 28.1 0.3 . 1 . . . . A 34 ILE CG1 . 25800 1 314 . 1 1 37 37 ILE CG2 C 13 20.2 0.3 . 1 . . . . A 34 ILE CG2 . 25800 1 315 . 1 1 37 37 ILE CD1 C 13 17.6 0.3 . 1 . . . . A 34 ILE CD1 . 25800 1 316 . 1 1 37 37 ILE N N 15 126.7 0.3 . 1 . . . . A 34 ILE N . 25800 1 317 . 1 1 38 38 LEU H H 1 8.78 0.02 . 1 . . . . A 35 LEU H . 25800 1 318 . 1 1 38 38 LEU HA H 1 4.16 0.02 . 1 . . . . A 35 LEU HA . 25800 1 319 . 1 1 38 38 LEU HG H 1 1.27 0.02 . 1 . . . . A 35 LEU HG . 25800 1 320 . 1 1 38 38 LEU C C 13 177.2 0.3 . 1 . . . . A 35 LEU C . 25800 1 321 . 1 1 38 38 LEU CA C 13 55.5 0.3 . 1 . . . . A 35 LEU CA . 25800 1 322 . 1 1 38 38 LEU CB C 13 42.7 0.3 . 1 . . . . A 35 LEU CB . 25800 1 323 . 1 1 38 38 LEU CG C 13 27.2 0.3 . 1 . . . . A 35 LEU CG . 25800 1 324 . 1 1 38 38 LEU CD1 C 13 25.8 0.3 . 1 . . . . A 35 LEU CD1 . 25800 1 325 . 1 1 38 38 LEU CD2 C 13 22.2 0.3 . 1 . . . . A 35 LEU CD2 . 25800 1 326 . 1 1 38 38 LEU N N 15 127.4 0.3 . 1 . . . . A 35 LEU N . 25800 1 327 . 1 1 39 39 LYS H H 1 7.11 0.02 . 1 . . . . A 36 LYS H . 25800 1 328 . 1 1 39 39 LYS HA H 1 4.24 0.02 . 1 . . . . A 36 LYS HA . 25800 1 329 . 1 1 39 39 LYS HB2 H 1 1.56 0.02 . 2 . . . . A 36 LYS HB2 . 25800 1 330 . 1 1 39 39 LYS HB3 H 1 1.52 0.02 . 2 . . . . A 36 LYS HB3 . 25800 1 331 . 1 1 39 39 LYS C C 13 173.6 0.3 . 1 . . . . A 36 LYS C . 25800 1 332 . 1 1 39 39 LYS CA C 13 55.9 0.3 . 1 . . . . A 36 LYS CA . 25800 1 333 . 1 1 39 39 LYS CB C 13 36.6 0.3 . 1 . . . . A 36 LYS CB . 25800 1 334 . 1 1 39 39 LYS CG C 13 24.7 0.3 . 1 . . . . A 36 LYS CG . 25800 1 335 . 1 1 39 39 LYS CD C 13 28.8 0.3 . 1 . . . . A 36 LYS CD . 25800 1 336 . 1 1 39 39 LYS CE C 13 42.1 0.3 . 1 . . . . A 36 LYS CE . 25800 1 337 . 1 1 39 39 LYS N N 15 117 0.3 . 1 . . . . A 36 LYS N . 25800 1 338 . 1 1 40 40 CYS H H 1 8.61 0.02 . 1 . . . . A 37 CYS H . 25800 1 339 . 1 1 40 40 CYS HA H 1 4.7 0.02 . 1 . . . . A 37 CYS HA . 25800 1 340 . 1 1 40 40 CYS HB2 H 1 2.79 0.02 . 2 . . . . A 37 CYS HB2 . 25800 1 341 . 1 1 40 40 CYS HB3 H 1 2.23 0.02 . 2 . . . . A 37 CYS HB3 . 25800 1 342 . 1 1 40 40 CYS C C 13 171.6 0.3 . 1 . . . . A 37 CYS C . 25800 1 343 . 1 1 40 40 CYS CA C 13 57.9 0.3 . 1 . . . . A 37 CYS CA . 25800 1 344 . 1 1 40 40 CYS CB C 13 27.1 0.3 . 1 . . . . A 37 CYS CB . 25800 1 345 . 1 1 40 40 CYS N N 15 125.4 0.3 . 1 . . . . A 37 CYS N . 25800 1 346 . 1 1 41 41 ASP H H 1 8.29 0.02 . 1 . . . . A 38 ASP H . 25800 1 347 . 1 1 41 41 ASP HA H 1 4.95 0.02 . 1 . . . . A 38 ASP HA . 25800 1 348 . 1 1 41 41 ASP HB2 H 1 2.57 0.02 . 2 . . . . A 38 ASP HB2 . 25800 1 349 . 1 1 41 41 ASP HB3 H 1 2.4 0.02 . 2 . . . . A 38 ASP HB3 . 25800 1 350 . 1 1 41 41 ASP C C 13 174.3 0.3 . 1 . . . . A 38 ASP C . 25800 1 351 . 1 1 41 41 ASP CA C 13 53.2 0.3 . 1 . . . . A 38 ASP CA . 25800 1 352 . 1 1 41 41 ASP CB C 13 44.3 0.3 . 1 . . . . A 38 ASP CB . 25800 1 353 . 1 1 41 41 ASP N N 15 128.2 0.3 . 1 . . . . A 38 ASP N . 25800 1 354 . 1 1 42 42 VAL H H 1 8.38 0.02 . 1 . . . . A 39 VAL H . 25800 1 355 . 1 1 42 42 VAL HA H 1 4.3 0.02 . 1 . . . . A 39 VAL HA . 25800 1 356 . 1 1 42 42 VAL HB H 1 1.69 0.02 . 1 . . . . A 39 VAL HB . 25800 1 357 . 1 1 42 42 VAL C C 13 175 0.3 . 1 . . . . A 39 VAL C . 25800 1 358 . 1 1 42 42 VAL CA C 13 61.7 0.3 . 1 . . . . A 39 VAL CA . 25800 1 359 . 1 1 42 42 VAL CB C 13 33.1 0.3 . 1 . . . . A 39 VAL CB . 25800 1 360 . 1 1 42 42 VAL CG1 C 13 22.5 0.3 . 1 . . . . A 39 VAL CG1 . 25800 1 361 . 1 1 42 42 VAL CG2 C 13 21.1 0.3 . 1 . . . . A 39 VAL CG2 . 25800 1 362 . 1 1 42 42 VAL N N 15 123.5 0.3 . 1 . . . . A 39 VAL N . 25800 1 363 . 1 1 43 43 LYS H H 1 8.68 0.02 . 1 . . . . A 40 LYS H . 25800 1 364 . 1 1 43 43 LYS HA H 1 4.32 0.02 . 1 . . . . A 40 LYS HA . 25800 1 365 . 1 1 43 43 LYS HB2 H 1 1.19 0.02 . 2 . . . . A 40 LYS HB2 . 25800 1 366 . 1 1 43 43 LYS HB3 H 1 0.32 0.02 . 2 . . . . A 40 LYS HB3 . 25800 1 367 . 1 1 43 43 LYS C C 13 173.7 0.3 . 1 . . . . A 40 LYS C . 25800 1 368 . 1 1 43 43 LYS CA C 13 53.9 0.3 . 1 . . . . A 40 LYS CA . 25800 1 369 . 1 1 43 43 LYS CB C 13 35.5 0.3 . 1 . . . . A 40 LYS CB . 25800 1 370 . 1 1 43 43 LYS CG C 13 24.8 0.3 . 1 . . . . A 40 LYS CG . 25800 1 371 . 1 1 43 43 LYS CD C 13 28.8 0.3 . 1 . . . . A 40 LYS CD . 25800 1 372 . 1 1 43 43 LYS CE C 13 42 0.3 . 1 . . . . A 40 LYS CE . 25800 1 373 . 1 1 43 43 LYS N N 15 129.1 0.3 . 1 . . . . A 40 LYS N . 25800 1 374 . 1 1 44 44 LYS H H 1 7.9 0.02 . 1 . . . . A 41 LYS H . 25800 1 375 . 1 1 44 44 LYS HA H 1 4.98 0.02 . 1 . . . . A 41 LYS HA . 25800 1 376 . 1 1 44 44 LYS HB2 H 1 1.71 0.02 . 2 . . . . A 41 LYS HB2 . 25800 1 377 . 1 1 44 44 LYS HB3 H 1 1.54 0.02 . 2 . . . . A 41 LYS HB3 . 25800 1 378 . 1 1 44 44 LYS C C 13 177.8 0.3 . 1 . . . . A 41 LYS C . 25800 1 379 . 1 1 44 44 LYS CA C 13 54.6 0.3 . 1 . . . . A 41 LYS CA . 25800 1 380 . 1 1 44 44 LYS CB C 13 35 0.3 . 1 . . . . A 41 LYS CB . 25800 1 381 . 1 1 44 44 LYS CG C 13 25 0.3 . 1 . . . . A 41 LYS CG . 25800 1 382 . 1 1 44 44 LYS CD C 13 28.5 0.3 . 1 . . . . A 41 LYS CD . 25800 1 383 . 1 1 44 44 LYS CE C 13 42.4 0.3 . 1 . . . . A 41 LYS CE . 25800 1 384 . 1 1 44 44 LYS N N 15 117.3 0.3 . 1 . . . . A 41 LYS N . 25800 1 385 . 1 1 45 45 THR H H 1 8.73 0.02 . 1 . . . . A 42 THR H . 25800 1 386 . 1 1 45 45 THR HA H 1 4.68 0.02 . 1 . . . . A 42 THR HA . 25800 1 387 . 1 1 45 45 THR HB H 1 4.59 0.02 . 1 . . . . A 42 THR HB . 25800 1 388 . 1 1 45 45 THR C C 13 176.9 0.3 . 1 . . . . A 42 THR C . 25800 1 389 . 1 1 45 45 THR CA C 13 60.2 0.3 . 1 . . . . A 42 THR CA . 25800 1 390 . 1 1 45 45 THR CB C 13 71.6 0.3 . 1 . . . . A 42 THR CB . 25800 1 391 . 1 1 45 45 THR CG2 C 13 21.9 0.3 . 1 . . . . A 42 THR CG2 . 25800 1 392 . 1 1 45 45 THR N N 15 113.2 0.3 . 1 . . . . A 42 THR N . 25800 1 393 . 1 1 46 46 VAL H H 1 8.73 0.02 . 1 . . . . A 43 VAL H . 25800 1 394 . 1 1 46 46 VAL HA H 1 3.92 0.02 . 1 . . . . A 43 VAL HA . 25800 1 395 . 1 1 46 46 VAL HB H 1 2.14 0.02 . 1 . . . . A 43 VAL HB . 25800 1 396 . 1 1 46 46 VAL C C 13 177 0.3 . 1 . . . . A 43 VAL C . 25800 1 397 . 1 1 46 46 VAL CA C 13 64.7 0.3 . 1 . . . . A 43 VAL CA . 25800 1 398 . 1 1 46 46 VAL CB C 13 31.8 0.3 . 1 . . . . A 43 VAL CB . 25800 1 399 . 1 1 46 46 VAL CG1 C 13 24 0.3 . 1 . . . . A 43 VAL CG1 . 25800 1 400 . 1 1 46 46 VAL CG2 C 13 20.9 0.3 . 1 . . . . A 43 VAL CG2 . 25800 1 401 . 1 1 46 46 VAL N N 15 120 0.3 . 1 . . . . A 43 VAL N . 25800 1 402 . 1 1 47 47 SER H H 1 7.76 0.02 . 1 . . . . A 44 SER H . 25800 1 403 . 1 1 47 47 SER HA H 1 4.36 0.02 . 1 . . . . A 44 SER HA . 25800 1 404 . 1 1 47 47 SER C C 13 174.8 0.3 . 1 . . . . A 44 SER C . 25800 1 405 . 1 1 47 47 SER CA C 13 58.4 0.3 . 1 . . . . A 44 SER CA . 25800 1 406 . 1 1 47 47 SER CB C 13 63.5 0.3 . 1 . . . . A 44 SER CB . 25800 1 407 . 1 1 47 47 SER N N 15 113.4 0.3 . 1 . . . . A 44 SER N . 25800 1 408 . 1 1 48 48 GLY H H 1 7.82 0.02 . 1 . . . . A 45 GLY H . 25800 1 409 . 1 1 48 48 GLY HA2 H 1 4.2 0.02 . 2 . . . . A 45 GLY HA2 . 25800 1 410 . 1 1 48 48 GLY HA3 H 1 3.65 0.02 . 2 . . . . A 45 GLY HA3 . 25800 1 411 . 1 1 48 48 GLY C C 13 173.5 0.3 . 1 . . . . A 45 GLY C . 25800 1 412 . 1 1 48 48 GLY CA C 13 45.3 0.3 . 1 . . . . A 45 GLY CA . 25800 1 413 . 1 1 48 48 GLY N N 15 110.2 0.3 . 1 . . . . A 45 GLY N . 25800 1 414 . 1 1 49 49 ALA H H 1 7.44 0.02 . 1 . . . . A 46 ALA H . 25800 1 415 . 1 1 49 49 ALA HA H 1 4.39 0.02 . 1 . . . . A 46 ALA HA . 25800 1 416 . 1 1 49 49 ALA C C 13 176.1 0.3 . 1 . . . . A 46 ALA C . 25800 1 417 . 1 1 49 49 ALA CA C 13 51.9 0.3 . 1 . . . . A 46 ALA CA . 25800 1 418 . 1 1 49 49 ALA CB C 13 19.8 0.3 . 1 . . . . A 46 ALA CB . 25800 1 419 . 1 1 49 49 ALA N N 15 123.9 0.3 . 1 . . . . A 46 ALA N . 25800 1 420 . 1 1 50 50 ALA H H 1 8.35 0.02 . 1 . . . . A 47 ALA H . 25800 1 421 . 1 1 50 50 ALA HA H 1 5.2 0.02 . 1 . . . . A 47 ALA HA . 25800 1 422 . 1 1 50 50 ALA C C 13 176.1 0.3 . 1 . . . . A 47 ALA C . 25800 1 423 . 1 1 50 50 ALA CA C 13 50.9 0.3 . 1 . . . . A 47 ALA CA . 25800 1 424 . 1 1 50 50 ALA CB C 13 21.9 0.3 . 1 . . . . A 47 ALA CB . 25800 1 425 . 1 1 50 50 ALA N N 15 123.1 0.3 . 1 . . . . A 47 ALA N . 25800 1 426 . 1 1 51 51 PHE H H 1 8.55 0.02 . 1 . . . . A 48 PHE H . 25800 1 427 . 1 1 51 51 PHE HA H 1 5.03 0.02 . 1 . . . . A 48 PHE HA . 25800 1 428 . 1 1 51 51 PHE HB2 H 1 2.92 0.02 . 2 . . . . A 48 PHE HB2 . 25800 1 429 . 1 1 51 51 PHE HB3 H 1 2.65 0.02 . 2 . . . . A 48 PHE HB3 . 25800 1 430 . 1 1 51 51 PHE HD1 H 1 7.03 0.02 . 1 . . . . A 48 PHE HD1 . 25800 1 431 . 1 1 51 51 PHE HE1 H 1 6.59 0.02 . 1 . . . . A 48 PHE HE1 . 25800 1 432 . 1 1 51 51 PHE C C 13 171.6 0.3 . 1 . . . . A 48 PHE C . 25800 1 433 . 1 1 51 51 PHE CA C 13 55.7 0.3 . 1 . . . . A 48 PHE CA . 25800 1 434 . 1 1 51 51 PHE CB C 13 41.2 0.3 . 1 . . . . A 48 PHE CB . 25800 1 435 . 1 1 51 51 PHE CD1 C 13 131.6 0.3 . 1 . . . . A 48 PHE CD1 . 25800 1 436 . 1 1 51 51 PHE CE1 C 13 132.8 0.3 . 1 . . . . A 48 PHE CE1 . 25800 1 437 . 1 1 51 51 PHE N N 15 118.7 0.3 . 1 . . . . A 48 PHE N . 25800 1 438 . 1 1 52 52 ALA H H 1 9.24 0.02 . 1 . . . . A 49 ALA H . 25800 1 439 . 1 1 52 52 ALA HA H 1 5.33 0.02 . 1 . . . . A 49 ALA HA . 25800 1 440 . 1 1 52 52 ALA C C 13 175.5 0.3 . 1 . . . . A 49 ALA C . 25800 1 441 . 1 1 52 52 ALA CA C 13 49.3 0.3 . 1 . . . . A 49 ALA CA . 25800 1 442 . 1 1 52 52 ALA CB C 13 23.7 0.3 . 1 . . . . A 49 ALA CB . 25800 1 443 . 1 1 52 52 ALA N N 15 120.4 0.3 . 1 . . . . A 49 ALA N . 25800 1 444 . 1 1 53 53 PHE H H 1 7.92 0.02 . 1 . . . . A 50 PHE H . 25800 1 445 . 1 1 53 53 PHE HA H 1 5.6 0.02 . 1 . . . . A 50 PHE HA . 25800 1 446 . 1 1 53 53 PHE HD1 H 1 7.29 0.02 . 1 . . . . A 50 PHE HD1 . 25800 1 447 . 1 1 53 53 PHE HE1 H 1 7.13 0.02 . 1 . . . . A 50 PHE HE1 . 25800 1 448 . 1 1 53 53 PHE C C 13 176 0.3 . 1 . . . . A 50 PHE C . 25800 1 449 . 1 1 53 53 PHE CA C 13 56.5 0.3 . 1 . . . . A 50 PHE CA . 25800 1 450 . 1 1 53 53 PHE CB C 13 42.2 0.3 . 1 . . . . A 50 PHE CB . 25800 1 451 . 1 1 53 53 PHE CD1 C 13 131.9 0.3 . 1 . . . . A 50 PHE CD1 . 25800 1 452 . 1 1 53 53 PHE CE1 C 13 131.6 0.3 . 1 . . . . A 50 PHE CE1 . 25800 1 453 . 1 1 53 53 PHE N N 15 115 0.3 . 1 . . . . A 50 PHE N . 25800 1 454 . 1 1 54 54 ILE H H 1 8.49 0.02 . 1 . . . . A 51 ILE H . 25800 1 455 . 1 1 54 54 ILE HA H 1 4.45 0.02 . 1 . . . . A 51 ILE HA . 25800 1 456 . 1 1 54 54 ILE HB H 1 1.15 0.02 . 1 . . . . A 51 ILE HB . 25800 1 457 . 1 1 54 54 ILE HG12 H 1 0.96 0.02 . 2 . . . . A 51 ILE HG12 . 25800 1 458 . 1 1 54 54 ILE HG13 H 1 0.51 0.02 . 2 . . . . A 51 ILE HG13 . 25800 1 459 . 1 1 54 54 ILE C C 13 173.7 0.3 . 1 . . . . A 51 ILE C . 25800 1 460 . 1 1 54 54 ILE CA C 13 60.2 0.3 . 1 . . . . A 51 ILE CA . 25800 1 461 . 1 1 54 54 ILE CB C 13 40.7 0.3 . 1 . . . . A 51 ILE CB . 25800 1 462 . 1 1 54 54 ILE CG1 C 13 27.2 0.3 . 1 . . . . A 51 ILE CG1 . 25800 1 463 . 1 1 54 54 ILE CG2 C 13 18.3 0.3 . 1 . . . . A 51 ILE CG2 . 25800 1 464 . 1 1 54 54 ILE CD1 C 13 14.5 0.3 . 1 . . . . A 51 ILE CD1 . 25800 1 465 . 1 1 54 54 ILE N N 15 123 0.3 . 1 . . . . A 51 ILE N . 25800 1 466 . 1 1 55 55 GLU H H 1 8.61 0.02 . 1 . . . . A 52 GLU H . 25800 1 467 . 1 1 55 55 GLU HA H 1 4.77 0.02 . 1 . . . . A 52 GLU HA . 25800 1 468 . 1 1 55 55 GLU HB2 H 1 1.8 0.02 . 2 . . . . A 52 GLU HB2 . 25800 1 469 . 1 1 55 55 GLU HB3 H 1 1.64 0.02 . 2 . . . . A 52 GLU HB3 . 25800 1 470 . 1 1 55 55 GLU HG2 H 1 1.99 0.02 . 2 . . . . A 52 GLU HG2 . 25800 1 471 . 1 1 55 55 GLU HG3 H 1 1.88 0.02 . 2 . . . . A 52 GLU HG3 . 25800 1 472 . 1 1 55 55 GLU C C 13 175.3 0.3 . 1 . . . . A 52 GLU C . 25800 1 473 . 1 1 55 55 GLU CA C 13 54.7 0.3 . 1 . . . . A 52 GLU CA . 25800 1 474 . 1 1 55 55 GLU CB C 13 31.5 0.3 . 1 . . . . A 52 GLU CB . 25800 1 475 . 1 1 55 55 GLU N N 15 126.6 0.3 . 1 . . . . A 52 GLU N . 25800 1 476 . 1 1 56 56 PHE H H 1 8.8 0.02 . 1 . . . . A 53 PHE H . 25800 1 477 . 1 1 56 56 PHE HA H 1 4.8 0.02 . 1 . . . . A 53 PHE HA . 25800 1 478 . 1 1 56 56 PHE HB2 H 1 3.65 0.02 . 2 . . . . A 53 PHE HB2 . 25800 1 479 . 1 1 56 56 PHE HB3 H 1 2.75 0.02 . 2 . . . . A 53 PHE HB3 . 25800 1 480 . 1 1 56 56 PHE HD2 H 1 7.28 0.02 . 1 . . . . A 53 PHE HD2 . 25800 1 481 . 1 1 56 56 PHE HE2 H 1 7.18 0.02 . 1 . . . . A 53 PHE HE2 . 25800 1 482 . 1 1 56 56 PHE C C 13 175.4 0.3 . 1 . . . . A 53 PHE C . 25800 1 483 . 1 1 56 56 PHE CA C 13 58.2 0.3 . 1 . . . . A 53 PHE CA . 25800 1 484 . 1 1 56 56 PHE CB C 13 40.9 0.3 . 1 . . . . A 53 PHE CB . 25800 1 485 . 1 1 56 56 PHE CD2 C 13 131.9 0.3 . 1 . . . . A 53 PHE CD2 . 25800 1 486 . 1 1 56 56 PHE CE2 C 13 131.9 0.3 . 1 . . . . A 53 PHE CE2 . 25800 1 487 . 1 1 56 56 PHE N N 15 126.1 0.3 . 1 . . . . A 53 PHE N . 25800 1 488 . 1 1 57 57 GLU H H 1 8.16 0.02 . 1 . . . . A 54 GLU H . 25800 1 489 . 1 1 57 57 GLU HA H 1 3.93 0.02 . 1 . . . . A 54 GLU HA . 25800 1 490 . 1 1 57 57 GLU HG2 H 1 2.25 0.02 . 2 . . . . A 54 GLU HG2 . 25800 1 491 . 1 1 57 57 GLU HG3 H 1 2.18 0.02 . 2 . . . . A 54 GLU HG3 . 25800 1 492 . 1 1 57 57 GLU C C 13 175.3 0.3 . 1 . . . . A 54 GLU C . 25800 1 493 . 1 1 57 57 GLU CA C 13 59.1 0.3 . 1 . . . . A 54 GLU CA . 25800 1 494 . 1 1 57 57 GLU CB C 13 30.8 0.3 . 1 . . . . A 54 GLU CB . 25800 1 495 . 1 1 57 57 GLU CG C 13 36.4 0.3 . 1 . . . . A 54 GLU CG . 25800 1 496 . 1 1 57 57 GLU N N 15 120.7 0.3 . 1 . . . . A 54 GLU N . 25800 1 497 . 1 1 58 58 ASP H H 1 8.74 0.02 . 1 . . . . A 55 ASP H . 25800 1 498 . 1 1 58 58 ASP HA H 1 4.92 0.02 . 1 . . . . A 55 ASP HA . 25800 1 499 . 1 1 58 58 ASP HB2 H 1 2.87 0.02 . 2 . . . . A 55 ASP HB2 . 25800 1 500 . 1 1 58 58 ASP HB3 H 1 2.44 0.02 . 2 . . . . A 55 ASP HB3 . 25800 1 501 . 1 1 58 58 ASP C C 13 176.4 0.3 . 1 . . . . A 55 ASP C . 25800 1 502 . 1 1 58 58 ASP CA C 13 52.4 0.3 . 1 . . . . A 55 ASP CA . 25800 1 503 . 1 1 58 58 ASP CB C 13 44.4 0.3 . 1 . . . . A 55 ASP CB . 25800 1 504 . 1 1 58 58 ASP N N 15 117.9 0.3 . 1 . . . . A 55 ASP N . 25800 1 505 . 1 1 59 59 ALA H H 1 8.8 0.02 . 1 . . . . A 56 ALA H . 25800 1 506 . 1 1 59 59 ALA HA H 1 3.83 0.02 . 1 . . . . A 56 ALA HA . 25800 1 507 . 1 1 59 59 ALA C C 13 179.8 0.3 . 1 . . . . A 56 ALA C . 25800 1 508 . 1 1 59 59 ALA CA C 13 55.2 0.3 . 1 . . . . A 56 ALA CA . 25800 1 509 . 1 1 59 59 ALA CB C 13 18.9 0.3 . 1 . . . . A 56 ALA CB . 25800 1 510 . 1 1 59 59 ALA N N 15 128.9 0.3 . 1 . . . . A 56 ALA N . 25800 1 511 . 1 1 60 60 ARG H H 1 8.95 0.02 . 1 . . . . A 57 ARG H . 25800 1 512 . 1 1 60 60 ARG HA H 1 3.89 0.02 . 1 . . . . A 57 ARG HA . 25800 1 513 . 1 1 60 60 ARG C C 13 178 0.3 . 1 . . . . A 57 ARG C . 25800 1 514 . 1 1 60 60 ARG CA C 13 58.9 0.3 . 1 . . . . A 57 ARG CA . 25800 1 515 . 1 1 60 60 ARG CB C 13 29.3 0.3 . 1 . . . . A 57 ARG CB . 25800 1 516 . 1 1 60 60 ARG CG C 13 26.7 0.3 . 1 . . . . A 57 ARG CG . 25800 1 517 . 1 1 60 60 ARG CD C 13 43.3 0.3 . 1 . . . . A 57 ARG CD . 25800 1 518 . 1 1 60 60 ARG N N 15 119.2 0.3 . 1 . . . . A 57 ARG N . 25800 1 519 . 1 1 61 61 ASP H H 1 7.02 0.02 . 1 . . . . A 58 ASP H . 25800 1 520 . 1 1 61 61 ASP HA H 1 4.09 0.02 . 1 . . . . A 58 ASP HA . 25800 1 521 . 1 1 61 61 ASP HB2 H 1 2.67 0.02 . 2 . . . . A 58 ASP HB2 . 25800 1 522 . 1 1 61 61 ASP HB3 H 1 2.3 0.02 . 2 . . . . A 58 ASP HB3 . 25800 1 523 . 1 1 61 61 ASP C C 13 176.7 0.3 . 1 . . . . A 58 ASP C . 25800 1 524 . 1 1 61 61 ASP CA C 13 56.5 0.3 . 1 . . . . A 58 ASP CA . 25800 1 525 . 1 1 61 61 ASP CB C 13 39.9 0.3 . 1 . . . . A 58 ASP CB . 25800 1 526 . 1 1 61 61 ASP N N 15 120.9 0.3 . 1 . . . . A 58 ASP N . 25800 1 527 . 1 1 62 62 ALA H H 1 6.44 0.02 . 1 . . . . A 59 ALA H . 25800 1 528 . 1 1 62 62 ALA HA H 1 3.08 0.02 . 1 . . . . A 59 ALA HA . 25800 1 529 . 1 1 62 62 ALA C C 13 178.1 0.3 . 1 . . . . A 59 ALA C . 25800 1 530 . 1 1 62 62 ALA CA C 13 54.3 0.3 . 1 . . . . A 59 ALA CA . 25800 1 531 . 1 1 62 62 ALA CB C 13 18.4 0.3 . 1 . . . . A 59 ALA CB . 25800 1 532 . 1 1 62 62 ALA N N 15 119.7 0.3 . 1 . . . . A 59 ALA N . 25800 1 533 . 1 1 63 63 ALA H H 1 7.33 0.02 . 1 . . . . A 60 ALA H . 25800 1 534 . 1 1 63 63 ALA HA H 1 3.83 0.02 . 1 . . . . A 60 ALA HA . 25800 1 535 . 1 1 63 63 ALA C C 13 180.9 0.3 . 1 . . . . A 60 ALA C . 25800 1 536 . 1 1 63 63 ALA CA C 13 54.9 0.3 . 1 . . . . A 60 ALA CA . 25800 1 537 . 1 1 63 63 ALA CB C 13 17.7 0.3 . 1 . . . . A 60 ALA CB . 25800 1 538 . 1 1 63 63 ALA N N 15 117.6 0.3 . 1 . . . . A 60 ALA N . 25800 1 539 . 1 1 64 64 ASP H H 1 7.59 0.02 . 1 . . . . A 61 ASP H . 25800 1 540 . 1 1 64 64 ASP HA H 1 4.21 0.02 . 1 . . . . A 61 ASP HA . 25800 1 541 . 1 1 64 64 ASP HB2 H 1 2.83 0.02 . 2 . . . . A 61 ASP HB2 . 25800 1 542 . 1 1 64 64 ASP HB3 H 1 2.61 0.02 . 2 . . . . A 61 ASP HB3 . 25800 1 543 . 1 1 64 64 ASP C C 13 176.7 0.3 . 1 . . . . A 61 ASP C . 25800 1 544 . 1 1 64 64 ASP CA C 13 57.1 0.3 . 1 . . . . A 61 ASP CA . 25800 1 545 . 1 1 64 64 ASP CB C 13 40.1 0.3 . 1 . . . . A 61 ASP CB . 25800 1 546 . 1 1 64 64 ASP N N 15 120.1 0.3 . 1 . . . . A 61 ASP N . 25800 1 547 . 1 1 65 65 ALA H H 1 7.44 0.02 . 1 . . . . A 62 ALA H . 25800 1 548 . 1 1 65 65 ALA HA H 1 2.42 0.02 . 1 . . . . A 62 ALA HA . 25800 1 549 . 1 1 65 65 ALA C C 13 179.3 0.3 . 1 . . . . A 62 ALA C . 25800 1 550 . 1 1 65 65 ALA CA C 13 54.6 0.3 . 1 . . . . A 62 ALA CA . 25800 1 551 . 1 1 65 65 ALA CB C 13 19.1 0.3 . 1 . . . . A 62 ALA CB . 25800 1 552 . 1 1 65 65 ALA N N 15 122.2 0.3 . 1 . . . . A 62 ALA N . 25800 1 553 . 1 1 66 66 ILE H H 1 7.54 0.02 . 1 . . . . A 63 ILE H . 25800 1 554 . 1 1 66 66 ILE HA H 1 3.24 0.02 . 1 . . . . A 63 ILE HA . 25800 1 555 . 1 1 66 66 ILE HB H 1 1.59 0.02 . 1 . . . . A 63 ILE HB . 25800 1 556 . 1 1 66 66 ILE C C 13 177.8 0.3 . 1 . . . . A 63 ILE C . 25800 1 557 . 1 1 66 66 ILE CA C 13 65.6 0.3 . 1 . . . . A 63 ILE CA . 25800 1 558 . 1 1 66 66 ILE CB C 13 38.9 0.3 . 1 . . . . A 63 ILE CB . 25800 1 559 . 1 1 66 66 ILE CG1 C 13 29.9 0.3 . 1 . . . . A 63 ILE CG1 . 25800 1 560 . 1 1 66 66 ILE CG2 C 13 18.2 0.3 . 1 . . . . A 63 ILE CG2 . 25800 1 561 . 1 1 66 66 ILE CD1 C 13 17.1 0.3 . 1 . . . . A 63 ILE CD1 . 25800 1 562 . 1 1 66 66 ILE N N 15 116.7 0.3 . 1 . . . . A 63 ILE N . 25800 1 563 . 1 1 67 67 LYS H H 1 7.49 0.02 . 1 . . . . A 64 LYS H . 25800 1 564 . 1 1 67 67 LYS HA H 1 3.9 0.02 . 1 . . . . A 64 LYS HA . 25800 1 565 . 1 1 67 67 LYS HG2 H 1 1.42 0.02 . 2 . . . . A 64 LYS HG2 . 25800 1 566 . 1 1 67 67 LYS HG3 H 1 1.34 0.02 . 2 . . . . A 64 LYS HG3 . 25800 1 567 . 1 1 67 67 LYS HD2 H 1 1.75 0.02 . 2 . . . . A 64 LYS HD2 . 25800 1 568 . 1 1 67 67 LYS HD3 H 1 1.63 0.02 . 2 . . . . A 64 LYS HD3 . 25800 1 569 . 1 1 67 67 LYS C C 13 178.9 0.3 . 1 . . . . A 64 LYS C . 25800 1 570 . 1 1 67 67 LYS CA C 13 58.8 0.3 . 1 . . . . A 64 LYS CA . 25800 1 571 . 1 1 67 67 LYS CB C 13 32.6 0.3 . 1 . . . . A 64 LYS CB . 25800 1 572 . 1 1 67 67 LYS CG C 13 24.6 0.3 . 1 . . . . A 64 LYS CG . 25800 1 573 . 1 1 67 67 LYS CD C 13 29.7 0.3 . 1 . . . . A 64 LYS CD . 25800 1 574 . 1 1 67 67 LYS CE C 13 42.1 0.3 . 1 . . . . A 64 LYS CE . 25800 1 575 . 1 1 67 67 LYS N N 15 117.4 0.3 . 1 . . . . A 64 LYS N . 25800 1 576 . 1 1 68 68 GLU H H 1 7.96 0.02 . 1 . . . . A 65 GLU H . 25800 1 577 . 1 1 68 68 GLU HA H 1 4.16 0.02 . 1 . . . . A 65 GLU HA . 25800 1 578 . 1 1 68 68 GLU HG2 H 1 2.44 0.02 . 2 . . . . A 65 GLU HG2 . 25800 1 579 . 1 1 68 68 GLU HG3 H 1 2.2 0.02 . 2 . . . . A 65 GLU HG3 . 25800 1 580 . 1 1 68 68 GLU C C 13 178.3 0.3 . 1 . . . . A 65 GLU C . 25800 1 581 . 1 1 68 68 GLU CA C 13 58.3 0.3 . 1 . . . . A 65 GLU CA . 25800 1 582 . 1 1 68 68 GLU CB C 13 30.7 0.3 . 1 . . . . A 65 GLU CB . 25800 1 583 . 1 1 68 68 GLU CG C 13 37.2 0.3 . 1 . . . . A 65 GLU CG . 25800 1 584 . 1 1 68 68 GLU N N 15 113.8 0.3 . 1 . . . . A 65 GLU N . 25800 1 585 . 1 1 69 69 LYS H H 1 8.05 0.02 . 1 . . . . A 66 LYS H . 25800 1 586 . 1 1 69 69 LYS HA H 1 4.47 0.02 . 1 . . . . A 66 LYS HA . 25800 1 587 . 1 1 69 69 LYS C C 13 177.5 0.3 . 1 . . . . A 66 LYS C . 25800 1 588 . 1 1 69 69 LYS CA C 13 54.4 0.3 . 1 . . . . A 66 LYS CA . 25800 1 589 . 1 1 69 69 LYS CB C 13 33 0.3 . 1 . . . . A 66 LYS CB . 25800 1 590 . 1 1 69 69 LYS CG C 13 23.8 0.3 . 1 . . . . A 66 LYS CG . 25800 1 591 . 1 1 69 69 LYS CD C 13 28 0.3 . 1 . . . . A 66 LYS CD . 25800 1 592 . 1 1 69 69 LYS CE C 13 41.9 0.3 . 1 . . . . A 66 LYS CE . 25800 1 593 . 1 1 69 69 LYS N N 15 114.7 0.3 . 1 . . . . A 66 LYS N . 25800 1 594 . 1 1 70 70 ASP H H 1 7.62 0.02 . 1 . . . . A 67 ASP H . 25800 1 595 . 1 1 70 70 ASP HA H 1 4.22 0.02 . 1 . . . . A 67 ASP HA . 25800 1 596 . 1 1 70 70 ASP HB2 H 1 3.25 0.02 . 2 . . . . A 67 ASP HB2 . 25800 1 597 . 1 1 70 70 ASP HB3 H 1 2.59 0.02 . 2 . . . . A 67 ASP HB3 . 25800 1 598 . 1 1 70 70 ASP C C 13 177.7 0.3 . 1 . . . . A 67 ASP C . 25800 1 599 . 1 1 70 70 ASP CA C 13 58.4 0.3 . 1 . . . . A 67 ASP CA . 25800 1 600 . 1 1 70 70 ASP CB C 13 41.4 0.3 . 1 . . . . A 67 ASP CB . 25800 1 601 . 1 1 70 70 ASP N N 15 118.8 0.3 . 1 . . . . A 67 ASP N . 25800 1 602 . 1 1 71 71 GLY H H 1 8.47 0.02 . 1 . . . . A 68 GLY H . 25800 1 603 . 1 1 71 71 GLY HA2 H 1 4.17 0.02 . 2 . . . . A 68 GLY HA2 . 25800 1 604 . 1 1 71 71 GLY HA3 H 1 3.64 0.02 . 2 . . . . A 68 GLY HA3 . 25800 1 605 . 1 1 71 71 GLY C C 13 173.8 0.3 . 1 . . . . A 68 GLY C . 25800 1 606 . 1 1 71 71 GLY CA C 13 45.9 0.3 . 1 . . . . A 68 GLY CA . 25800 1 607 . 1 1 71 71 GLY N N 15 115.6 0.3 . 1 . . . . A 68 GLY N . 25800 1 608 . 1 1 72 72 CYS H H 1 7.89 0.02 . 1 . . . . A 69 CYS H . 25800 1 609 . 1 1 72 72 CYS HA H 1 4.16 0.02 . 1 . . . . A 69 CYS HA . 25800 1 610 . 1 1 72 72 CYS HB2 H 1 2.98 0.02 . 2 . . . . A 69 CYS HB2 . 25800 1 611 . 1 1 72 72 CYS HB3 H 1 2.94 0.02 . 2 . . . . A 69 CYS HB3 . 25800 1 612 . 1 1 72 72 CYS C C 13 172.6 0.3 . 1 . . . . A 69 CYS C . 25800 1 613 . 1 1 72 72 CYS CA C 13 58 0.3 . 1 . . . . A 69 CYS CA . 25800 1 614 . 1 1 72 72 CYS CB C 13 28.7 0.3 . 1 . . . . A 69 CYS CB . 25800 1 615 . 1 1 72 72 CYS N N 15 119.2 0.3 . 1 . . . . A 69 CYS N . 25800 1 616 . 1 1 73 73 ASP H H 1 8.36 0.02 . 1 . . . . A 70 ASP H . 25800 1 617 . 1 1 73 73 ASP HA H 1 4.83 0.02 . 1 . . . . A 70 ASP HA . 25800 1 618 . 1 1 73 73 ASP HB2 H 1 2.48 0.02 . 2 . . . . A 70 ASP HB2 . 25800 1 619 . 1 1 73 73 ASP HB3 H 1 2.38 0.02 . 2 . . . . A 70 ASP HB3 . 25800 1 620 . 1 1 73 73 ASP C C 13 176.4 0.3 . 1 . . . . A 70 ASP C . 25800 1 621 . 1 1 73 73 ASP CA C 13 54.7 0.3 . 1 . . . . A 70 ASP CA . 25800 1 622 . 1 1 73 73 ASP CB C 13 42.7 0.3 . 1 . . . . A 70 ASP CB . 25800 1 623 . 1 1 73 73 ASP N N 15 122.2 0.3 . 1 . . . . A 70 ASP N . 25800 1 624 . 1 1 74 74 PHE H H 1 9.39 0.02 . 1 . . . . A 71 PHE H . 25800 1 625 . 1 1 74 74 PHE HA H 1 4.6 0.02 . 1 . . . . A 71 PHE HA . 25800 1 626 . 1 1 74 74 PHE HB2 H 1 2.98 0.02 . 2 . . . . A 71 PHE HB2 . 25800 1 627 . 1 1 74 74 PHE HB3 H 1 2.73 0.02 . 2 . . . . A 71 PHE HB3 . 25800 1 628 . 1 1 74 74 PHE C C 13 173.6 0.3 . 1 . . . . A 71 PHE C . 25800 1 629 . 1 1 74 74 PHE CA C 13 56.8 0.3 . 1 . . . . A 71 PHE CA . 25800 1 630 . 1 1 74 74 PHE CB C 13 40.7 0.3 . 1 . . . . A 71 PHE CB . 25800 1 631 . 1 1 74 74 PHE CD1 C 13 131.6 0.3 . 1 . . . . A 71 PHE CD1 . 25800 1 632 . 1 1 74 74 PHE CE1 C 13 129.3 0.3 . 1 . . . . A 71 PHE CE1 . 25800 1 633 . 1 1 74 74 PHE N N 15 127.6 0.3 . 1 . . . . A 71 PHE N . 25800 1 634 . 1 1 75 75 GLU H H 1 8.94 0.02 . 1 . . . . A 72 GLU H . 25800 1 635 . 1 1 75 75 GLU HA H 1 3.54 0.02 . 1 . . . . A 72 GLU HA . 25800 1 636 . 1 1 75 75 GLU HG2 H 1 1.6 0.02 . 2 . . . . A 72 GLU HG2 . 25800 1 637 . 1 1 75 75 GLU HG3 H 1 1.37 0.02 . 2 . . . . A 72 GLU HG3 . 25800 1 638 . 1 1 75 75 GLU C C 13 175.5 0.3 . 1 . . . . A 72 GLU C . 25800 1 639 . 1 1 75 75 GLU CA C 13 56.7 0.3 . 1 . . . . A 72 GLU CA . 25800 1 640 . 1 1 75 75 GLU CB C 13 27.3 0.3 . 1 . . . . A 72 GLU CB . 25800 1 641 . 1 1 75 75 GLU CG C 13 35 0.3 . 1 . . . . A 72 GLU CG . 25800 1 642 . 1 1 75 75 GLU N N 15 123.9 0.3 . 1 . . . . A 72 GLU N . 25800 1 643 . 1 1 76 76 GLY H H 1 8.35 0.02 . 1 . . . . A 73 GLY H . 25800 1 644 . 1 1 76 76 GLY HA2 H 1 4.19 0.02 . 2 . . . . A 73 GLY HA2 . 25800 1 645 . 1 1 76 76 GLY HA3 H 1 3.65 0.02 . 2 . . . . A 73 GLY HA3 . 25800 1 646 . 1 1 76 76 GLY C C 13 174.1 0.3 . 1 . . . . A 73 GLY C . 25800 1 647 . 1 1 76 76 GLY CA C 13 45.6 0.3 . 1 . . . . A 73 GLY CA . 25800 1 648 . 1 1 76 76 GLY N N 15 105.2 0.3 . 1 . . . . A 73 GLY N . 25800 1 649 . 1 1 77 77 ASN H H 1 7.74 0.02 . 1 . . . . A 74 ASN H . 25800 1 650 . 1 1 77 77 ASN HA H 1 4.76 0.02 . 1 . . . . A 74 ASN HA . 25800 1 651 . 1 1 77 77 ASN HB2 H 1 2.92 0.02 . 2 . . . . A 74 ASN HB2 . 25800 1 652 . 1 1 77 77 ASN HB3 H 1 2.78 0.02 . 2 . . . . A 74 ASN HB3 . 25800 1 653 . 1 1 77 77 ASN C C 13 174 0.3 . 1 . . . . A 74 ASN C . 25800 1 654 . 1 1 77 77 ASN CA C 13 50.9 0.3 . 1 . . . . A 74 ASN CA . 25800 1 655 . 1 1 77 77 ASN CB C 13 39.7 0.3 . 1 . . . . A 74 ASN CB . 25800 1 656 . 1 1 77 77 ASN N N 15 121 0.3 . 1 . . . . A 74 ASN N . 25800 1 657 . 1 1 78 78 LYS H H 1 8.38 0.02 . 1 . . . . A 75 LYS H . 25800 1 658 . 1 1 78 78 LYS HA H 1 4.47 0.02 . 1 . . . . A 75 LYS HA . 25800 1 659 . 1 1 78 78 LYS HB2 H 1 1.63 0.02 . 2 . . . . A 75 LYS HB2 . 25800 1 660 . 1 1 78 78 LYS HB3 H 1 1.5 0.02 . 2 . . . . A 75 LYS HB3 . 25800 1 661 . 1 1 78 78 LYS C C 13 176.9 0.3 . 1 . . . . A 75 LYS C . 25800 1 662 . 1 1 78 78 LYS CA C 13 55.3 0.3 . 1 . . . . A 75 LYS CA . 25800 1 663 . 1 1 78 78 LYS CB C 13 31.9 0.3 . 1 . . . . A 75 LYS CB . 25800 1 664 . 1 1 78 78 LYS CG C 13 24.5 0.3 . 1 . . . . A 75 LYS CG . 25800 1 665 . 1 1 78 78 LYS CD C 13 28.9 0.3 . 1 . . . . A 75 LYS CD . 25800 1 666 . 1 1 78 78 LYS CE C 13 41.9 0.3 . 1 . . . . A 75 LYS CE . 25800 1 667 . 1 1 78 78 LYS N N 15 121.4 0.3 . 1 . . . . A 75 LYS N . 25800 1 668 . 1 1 79 79 LEU H H 1 8.95 0.02 . 1 . . . . A 76 LEU H . 25800 1 669 . 1 1 79 79 LEU HA H 1 4.43 0.02 . 1 . . . . A 76 LEU HA . 25800 1 670 . 1 1 79 79 LEU HG H 1 1.15 0.02 . 1 . . . . A 76 LEU HG . 25800 1 671 . 1 1 79 79 LEU C C 13 177.6 0.3 . 1 . . . . A 76 LEU C . 25800 1 672 . 1 1 79 79 LEU CA C 13 55.3 0.3 . 1 . . . . A 76 LEU CA . 25800 1 673 . 1 1 79 79 LEU CB C 13 43.1 0.3 . 1 . . . . A 76 LEU CB . 25800 1 674 . 1 1 79 79 LEU CD1 C 13 21.5 0.3 . 1 . . . . A 76 LEU CD1 . 25800 1 675 . 1 1 79 79 LEU CD2 C 13 19.8 0.3 . 1 . . . . A 76 LEU CD2 . 25800 1 676 . 1 1 79 79 LEU N N 15 127.4 0.3 . 1 . . . . A 76 LEU N . 25800 1 677 . 1 1 80 80 ARG H H 1 7.53 0.02 . 1 . . . . A 77 ARG H . 25800 1 678 . 1 1 80 80 ARG HA H 1 4.9 0.02 . 1 . . . . A 77 ARG HA . 25800 1 679 . 1 1 80 80 ARG HD2 H 1 3.24 0.02 . 2 . . . . A 77 ARG HD2 . 25800 1 680 . 1 1 80 80 ARG HD3 H 1 3.12 0.02 . 2 . . . . A 77 ARG HD3 . 25800 1 681 . 1 1 80 80 ARG C C 13 174.7 0.3 . 1 . . . . A 77 ARG C . 25800 1 682 . 1 1 80 80 ARG CA C 13 54 0.3 . 1 . . . . A 77 ARG CA . 25800 1 683 . 1 1 80 80 ARG CB C 13 32.3 0.3 . 1 . . . . A 77 ARG CB . 25800 1 684 . 1 1 80 80 ARG CG C 13 26.8 0.3 . 1 . . . . A 77 ARG CG . 25800 1 685 . 1 1 80 80 ARG CD C 13 43.1 0.3 . 1 . . . . A 77 ARG CD . 25800 1 686 . 1 1 80 80 ARG N N 15 121.8 0.3 . 1 . . . . A 77 ARG N . 25800 1 687 . 1 1 81 81 VAL H H 1 9.66 0.02 . 1 . . . . A 78 VAL H . 25800 1 688 . 1 1 81 81 VAL HA H 1 5.28 0.02 . 1 . . . . A 78 VAL HA . 25800 1 689 . 1 1 81 81 VAL HB H 1 1.82 0.02 . 1 . . . . A 78 VAL HB . 25800 1 690 . 1 1 81 81 VAL C C 13 174.2 0.3 . 1 . . . . A 78 VAL C . 25800 1 691 . 1 1 81 81 VAL CA C 13 61.2 0.3 . 1 . . . . A 78 VAL CA . 25800 1 692 . 1 1 81 81 VAL CB C 13 33.4 0.3 . 1 . . . . A 78 VAL CB . 25800 1 693 . 1 1 81 81 VAL CG1 C 13 24.1 0.3 . 1 . . . . A 78 VAL CG1 . 25800 1 694 . 1 1 81 81 VAL CG2 C 13 22.4 0.3 . 1 . . . . A 78 VAL CG2 . 25800 1 695 . 1 1 81 81 VAL N N 15 127 0.3 . 1 . . . . A 78 VAL N . 25800 1 696 . 1 1 82 82 GLU H H 1 8.98 0.02 . 1 . . . . A 79 GLU H . 25800 1 697 . 1 1 82 82 GLU HA H 1 4.71 0.02 . 1 . . . . A 79 GLU HA . 25800 1 698 . 1 1 82 82 GLU HB2 H 1 2.05 0.02 . 2 . . . . A 79 GLU HB2 . 25800 1 699 . 1 1 82 82 GLU HB3 H 1 1.84 0.02 . 2 . . . . A 79 GLU HB3 . 25800 1 700 . 1 1 82 82 GLU HG2 H 1 2.12 0.02 . 2 . . . . A 79 GLU HG2 . 25800 1 701 . 1 1 82 82 GLU HG3 H 1 1.93 0.02 . 2 . . . . A 79 GLU HG3 . 25800 1 702 . 1 1 82 82 GLU C C 13 174.6 0.3 . 1 . . . . A 79 GLU C . 25800 1 703 . 1 1 82 82 GLU CA C 13 53.9 0.3 . 1 . . . . A 79 GLU CA . 25800 1 704 . 1 1 82 82 GLU CB C 13 34.4 0.3 . 1 . . . . A 79 GLU CB . 25800 1 705 . 1 1 82 82 GLU CG C 13 34.5 0.3 . 1 . . . . A 79 GLU CG . 25800 1 706 . 1 1 82 82 GLU N N 15 121.9 0.3 . 1 . . . . A 79 GLU N . 25800 1 707 . 1 1 83 83 VAL H H 1 8.41 0.02 . 1 . . . . A 80 VAL H . 25800 1 708 . 1 1 83 83 VAL HA H 1 4.37 0.02 . 1 . . . . A 80 VAL HA . 25800 1 709 . 1 1 83 83 VAL HB H 1 1.96 0.02 . 1 . . . . A 80 VAL HB . 25800 1 710 . 1 1 83 83 VAL CA C 13 61 0.3 . 1 . . . . A 80 VAL CA . 25800 1 711 . 1 1 83 83 VAL CB C 13 32.1 0.3 . 1 . . . . A 80 VAL CB . 25800 1 712 . 1 1 83 83 VAL CG2 C 13 21.2 0.3 . 1 . . . . A 80 VAL CG2 . 25800 1 713 . 1 1 83 83 VAL N N 15 121.3 0.3 . 1 . . . . A 80 VAL N . 25800 1 714 . 1 1 84 84 PRO HA H 1 4.26 0.02 . 1 . . . . A 81 PRO HA . 25800 1 715 . 1 1 84 84 PRO HB2 H 1 2.13 0.02 . 2 . . . . A 81 PRO HB2 . 25800 1 716 . 1 1 84 84 PRO HB3 H 1 1.8 0.02 . 2 . . . . A 81 PRO HB3 . 25800 1 717 . 1 1 84 84 PRO HG2 H 1 1.92 0.02 . 2 . . . . A 81 PRO HG2 . 25800 1 718 . 1 1 84 84 PRO HG3 H 1 1.73 0.02 . 2 . . . . A 81 PRO HG3 . 25800 1 719 . 1 1 84 84 PRO HD2 H 1 4.08 0.02 . 2 . . . . A 81 PRO HD2 . 25800 1 720 . 1 1 84 84 PRO HD3 H 1 3.64 0.02 . 2 . . . . A 81 PRO HD3 . 25800 1 721 . 1 1 84 84 PRO C C 13 176.1 0.3 . 1 . . . . A 81 PRO C . 25800 1 722 . 1 1 84 84 PRO CA C 13 63.1 0.3 . 1 . . . . A 81 PRO CA . 25800 1 723 . 1 1 84 84 PRO CB C 13 32.1 0.3 . 1 . . . . A 81 PRO CB . 25800 1 724 . 1 1 84 84 PRO CG C 13 27.8 0.3 . 1 . . . . A 81 PRO CG . 25800 1 725 . 1 1 84 84 PRO CD C 13 50.9 0.3 . 1 . . . . A 81 PRO CD . 25800 1 726 . 1 1 85 85 PHE H H 1 8.15 0.02 . 1 . . . . A 82 PHE H . 25800 1 727 . 1 1 85 85 PHE HA H 1 4.29 0.02 . 1 . . . . A 82 PHE HA . 25800 1 728 . 1 1 85 85 PHE HB2 H 1 2.96 0.02 . 2 . . . . A 82 PHE HB2 . 25800 1 729 . 1 1 85 85 PHE HB3 H 1 2.84 0.02 . 2 . . . . A 82 PHE HB3 . 25800 1 730 . 1 1 85 85 PHE HD2 H 1 7.07 0.02 . 1 . . . . A 82 PHE HD2 . 25800 1 731 . 1 1 85 85 PHE HE2 H 1 7.05 0.02 . 1 . . . . A 82 PHE HE2 . 25800 1 732 . 1 1 85 85 PHE C C 13 175.3 0.3 . 1 . . . . A 82 PHE C . 25800 1 733 . 1 1 85 85 PHE CA C 13 58.1 0.3 . 1 . . . . A 82 PHE CA . 25800 1 734 . 1 1 85 85 PHE CB C 13 39.4 0.3 . 1 . . . . A 82 PHE CB . 25800 1 735 . 1 1 85 85 PHE CD2 C 13 131.2 0.3 . 1 . . . . A 82 PHE CD2 . 25800 1 736 . 1 1 85 85 PHE CE2 C 13 129.8 0.3 . 1 . . . . A 82 PHE CE2 . 25800 1 737 . 1 1 85 85 PHE N N 15 122.2 0.3 . 1 . . . . A 82 PHE N . 25800 1 738 . 1 1 86 86 ASN H H 1 8.11 0.02 . 1 . . . . A 83 ASN H . 25800 1 739 . 1 1 86 86 ASN HA H 1 4.44 0.02 . 1 . . . . A 83 ASN HA . 25800 1 740 . 1 1 86 86 ASN HB2 H 1 2.58 0.02 . 2 . . . . A 83 ASN HB2 . 25800 1 741 . 1 1 86 86 ASN HB3 H 1 2.49 0.02 . 2 . . . . A 83 ASN HB3 . 25800 1 742 . 1 1 86 86 ASN C C 13 174.1 0.3 . 1 . . . . A 83 ASN C . 25800 1 743 . 1 1 86 86 ASN CA C 13 52.7 0.3 . 1 . . . . A 83 ASN CA . 25800 1 744 . 1 1 86 86 ASN CB C 13 38.7 0.3 . 1 . . . . A 83 ASN CB . 25800 1 745 . 1 1 86 86 ASN N N 15 120.8 0.3 . 1 . . . . A 83 ASN N . 25800 1 746 . 1 1 87 87 ALA H H 1 8.02 0.02 . 1 . . . . A 84 ALA H . 25800 1 747 . 1 1 87 87 ALA HA H 1 4.08 0.02 . 1 . . . . A 84 ALA HA . 25800 1 748 . 1 1 87 87 ALA C C 13 177.1 0.3 . 1 . . . . A 84 ALA C . 25800 1 749 . 1 1 87 87 ALA CA C 13 52.4 0.3 . 1 . . . . A 84 ALA CA . 25800 1 750 . 1 1 87 87 ALA CB C 13 19.1 0.3 . 1 . . . . A 84 ALA CB . 25800 1 751 . 1 1 87 87 ALA N N 15 123.7 0.3 . 1 . . . . A 84 ALA N . 25800 1 752 . 1 1 88 88 ARG H H 1 8.04 0.02 . 1 . . . . A 85 ARG H . 25800 1 753 . 1 1 88 88 ARG HA H 1 4.15 0.02 . 1 . . . . A 85 ARG HA . 25800 1 754 . 1 1 88 88 ARG HB2 H 1 1.73 0.02 . 2 . . . . A 85 ARG HB2 . 25800 1 755 . 1 1 88 88 ARG HB3 H 1 1.62 0.02 . 2 . . . . A 85 ARG HB3 . 25800 1 756 . 1 1 88 88 ARG C C 13 175.2 0.3 . 1 . . . . A 85 ARG C . 25800 1 757 . 1 1 88 88 ARG CA C 13 56 0.3 . 1 . . . . A 85 ARG CA . 25800 1 758 . 1 1 88 88 ARG CB C 13 30.8 0.3 . 1 . . . . A 85 ARG CB . 25800 1 759 . 1 1 88 88 ARG CG C 13 26.7 0.3 . 1 . . . . A 85 ARG CG . 25800 1 760 . 1 1 88 88 ARG CD C 13 43.4 0.3 . 1 . . . . A 85 ARG CD . 25800 1 761 . 1 1 88 88 ARG N N 15 120.2 0.3 . 1 . . . . A 85 ARG N . 25800 1 762 . 1 1 89 89 GLU H H 1 7.86 0.02 . 1 . . . . A 86 GLU H . 25800 1 763 . 1 1 89 89 GLU CA C 13 58 0.3 . 1 . . . . A 86 GLU CA . 25800 1 764 . 1 1 89 89 GLU CB C 13 30.9 0.3 . 1 . . . . A 86 GLU CB . 25800 1 765 . 1 1 89 89 GLU CG C 13 36.2 0.3 . 1 . . . . A 86 GLU CG . 25800 1 766 . 1 1 89 89 GLU N N 15 126.5 0.3 . 1 . . . . A 86 GLU N . 25800 1 stop_ save_ save_assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 25800 _Assigned_chem_shift_list.ID 2 _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' . . . 25800 2 4 '3D HNCACB' . . . 25800 2 5 '2D 1H-1H NOESY' . . . 25800 2 6 '2D 1H-1H TOCSY' . . . 25800 2 10 '2D 1H-1H TOCSY' . . . 25800 2 11 '2D 1H-1H NOESY' . . . 25800 2 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 2 $CARA . . 25800 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 2 2 1 1 A H1' H 1 5.918 0.02 . 1 . . . . . 101 A H1' . 25800 2 2 . 2 2 1 1 A H2 H 1 7.627 0.02 . 1 . . . . . 101 A H2 . 25800 2 3 . 2 2 1 1 A H2' H 1 4.384 0.02 . 1 . . . . . 101 A H2' . 25800 2 4 . 2 2 1 1 A H3' H 1 4.319 0.02 . 1 . . . . . 101 A H3' . 25800 2 5 . 2 2 1 1 A H4' H 1 4.022 0.02 . 1 . . . . . 101 A H4' . 25800 2 6 . 2 2 1 1 A H5' H 1 3.571 0.02 . 1 . . . . . 101 A H5' . 25800 2 7 . 2 2 1 1 A H5'' H 1 3.457 0.02 . 1 . . . . . 101 A H5'' . 25800 2 8 . 2 2 1 1 A H8 H 1 8.188 0.02 . 1 . . . . . 101 A H8 . 25800 2 9 . 2 2 1 1 A C1' C 13 88.56 0.3 . 1 . . . . . 101 A C1' . 25800 2 10 . 2 2 1 1 A C2 C 13 151.438 0.3 . 1 . . . . . 101 A C2 . 25800 2 11 . 2 2 1 1 A C2' C 13 72.432 0.3 . 1 . . . . . 101 A C2' . 25800 2 12 . 2 2 1 1 A C3' C 13 73.406 0.3 . 1 . . . . . 101 A C3' . 25800 2 13 . 2 2 1 1 A C4' C 13 83.691 0.3 . 1 . . . . . 101 A C4' . 25800 2 14 . 2 2 1 1 A C5' C 13 60.267 0.3 . 1 . . . . . 101 A C5' . 25800 2 15 . 2 2 1 1 A C8 C 13 139.58 0.3 . 1 . . . . . 101 A C8 . 25800 2 16 . 2 2 2 2 C H1' H 1 5.789 0.02 . 1 . . . . . 102 C H1' . 25800 2 17 . 2 2 2 2 C H2' H 1 3.938 0.02 . 1 . . . . . 102 C H2' . 25800 2 18 . 2 2 2 2 C H3' H 1 4.238 0.02 . 1 . . . . . 102 C H3' . 25800 2 19 . 2 2 2 2 C H4' H 1 4.046 0.02 . 1 . . . . . 102 C H4' . 25800 2 20 . 2 2 2 2 C H5 H 1 5.677 0.02 . 1 . . . . . 102 C H5 . 25800 2 21 . 2 2 2 2 C H5' H 1 3.917 0.02 . 1 . . . . . 102 C H5' . 25800 2 22 . 2 2 2 2 C H5'' H 1 3.754 0.02 . 1 . . . . . 102 C H5'' . 25800 2 23 . 2 2 2 2 C H6 H 1 7.692 0.02 . 1 . . . . . 102 C H6 . 25800 2 24 . 2 2 2 2 C C1' C 13 88.853 0.3 . 1 . . . . . 102 C C1' . 25800 2 25 . 2 2 2 2 C C2' C 13 72.683 0.3 . 1 . . . . . 102 C C2' . 25800 2 26 . 2 2 2 2 C C3' C 13 72.546 0.3 . 1 . . . . . 102 C C3' . 25800 2 27 . 2 2 2 2 C C4' C 13 81.11 0.3 . 1 . . . . . 102 C C4' . 25800 2 28 . 2 2 2 2 C C5 C 13 94.886 0.3 . 1 . . . . . 102 C C5 . 25800 2 29 . 2 2 2 2 C C5' C 13 63.943 0.3 . 1 . . . . . 102 C C5' . 25800 2 30 . 2 2 2 2 C C6 C 13 139.659 0.3 . 1 . . . . . 102 C C6 . 25800 2 31 . 2 2 3 3 A H1' H 1 5.863 0.02 . 1 . . . . . 103 A H1' . 25800 2 32 . 2 2 3 3 A H2 H 1 7.602 0.02 . 1 . . . . . 103 A H2 . 25800 2 33 . 2 2 3 3 A H2' H 1 4.259 0.02 . 1 . . . . . 103 A H2' . 25800 2 34 . 2 2 3 3 A H3' H 1 4.159 0.02 . 1 . . . . . 103 A H3' . 25800 2 35 . 2 2 3 3 A H4' H 1 3.98 0.02 . 1 . . . . . 103 A H4' . 25800 2 36 . 2 2 3 3 A H5' H 1 3.776 0.02 . 1 . . . . . 103 A H5' . 25800 2 37 . 2 2 3 3 A H5'' H 1 3.712 0.02 . 1 . . . . . 103 A H5'' . 25800 2 38 . 2 2 3 3 A H8 H 1 8.18 0.02 . 1 . . . . . 103 A H8 . 25800 2 39 . 2 2 3 3 A C1' C 13 87.641 0.3 . 1 . . . . . 103 A C1' . 25800 2 40 . 2 2 3 3 A C2 C 13 151.671 0.3 . 1 . . . . . 103 A C2 . 25800 2 41 . 2 2 3 3 A C2' C 13 72.843 0.3 . 1 . . . . . 103 A C2' . 25800 2 42 . 2 2 3 3 A C3' C 13 72.37 0.3 . 1 . . . . . 103 A C3' . 25800 2 43 . 2 2 3 3 A C4' C 13 81.11 0.3 . 1 . . . . . 103 A C4' . 25800 2 44 . 2 2 3 3 A C5' C 13 63.436 0.3 . 1 . . . . . 103 A C5' . 25800 2 45 . 2 2 3 3 A C8 C 13 138.077 0.3 . 1 . . . . . 103 A C8 . 25800 2 46 . 2 2 4 4 U H1' H 1 5.757 0.02 . 1 . . . . . 104 U H1' . 25800 2 47 . 2 2 4 4 U H2' H 1 3.883 0.02 . 1 . . . . . 104 U H2' . 25800 2 48 . 2 2 4 4 U H3' H 1 4.052 0.02 . 1 . . . . . 104 U H3' . 25800 2 49 . 2 2 4 4 U H4' H 1 4.156 0.02 . 1 . . . . . 104 U H4' . 25800 2 50 . 2 2 4 4 U H5 H 1 5.626 0.02 . 1 . . . . . 104 U H5 . 25800 2 51 . 2 2 4 4 U H5' H 1 3.905 0.02 . 1 . . . . . 104 U H5' . 25800 2 52 . 2 2 4 4 U H5'' H 1 3.702 0.02 . 1 . . . . . 104 U H5'' . 25800 2 53 . 2 2 4 4 U H6 H 1 7.447 0.02 . 1 . . . . . 104 U H6 . 25800 2 54 . 2 2 4 4 U C1' C 13 88.521 0.3 . 1 . . . . . 104 U C1' . 25800 2 55 . 2 2 4 4 U C2' C 13 72.272 0.3 . 1 . . . . . 104 U C2' . 25800 2 56 . 2 2 4 4 U C3' C 13 71.803 0.3 . 1 . . . . . 104 U C3' . 25800 2 57 . 2 2 4 4 U C4' C 13 81.13 0.3 . 1 . . . . . 104 U C4' . 25800 2 58 . 2 2 4 4 U C5 C 13 100.84 0.3 . 1 . . . . . 104 U C5 . 25800 2 59 . 2 2 4 4 U C5' C 13 63.141 0.3 . 1 . . . . . 104 U C5' . 25800 2 60 . 2 2 4 4 U C6 C 13 139.147 0.3 . 1 . . . . . 104 U C6 . 25800 2 61 . 2 2 5 5 C H1' H 1 5.708 0.02 . 1 . . . . . 105 C H1' . 25800 2 62 . 2 2 5 5 C H2' H 1 3.865 0.02 . 1 . . . . . 105 C H2' . 25800 2 63 . 2 2 5 5 C H3' H 1 4.114 0.02 . 1 . . . . . 105 C H3' . 25800 2 64 . 2 2 5 5 C H4' H 1 3.895 0.02 . 1 . . . . . 105 C H4' . 25800 2 65 . 2 2 5 5 C H5 H 1 5.559 0.02 . 1 . . . . . 105 C H5 . 25800 2 66 . 2 2 5 5 C H5' H 1 3.843 0.02 . 1 . . . . . 105 C H5' . 25800 2 67 . 2 2 5 5 C H5'' H 1 3.688 0.02 . 1 . . . . . 105 C H5'' . 25800 2 68 . 2 2 5 5 C H6 H 1 7.655 0.02 . 1 . . . . . 105 C H6 . 25800 2 69 . 2 2 5 5 C C1' C 13 89.009 0.3 . 1 . . . . . 105 C C1' . 25800 2 70 . 2 2 5 5 C C2' C 13 72.898 0.3 . 1 . . . . . 105 C C2' . 25800 2 71 . 2 2 5 5 C C3' C 13 71.647 0.3 . 1 . . . . . 105 C C3' . 25800 2 72 . 2 2 5 5 C C4' C 13 80.25 0.3 . 1 . . . . . 105 C C4' . 25800 2 73 . 2 2 5 5 C C5 C 13 94.918 0.3 . 1 . . . . . 105 C C5 . 25800 2 74 . 2 2 5 5 C C5' C 13 62.897 0.3 . 1 . . . . . 105 C C5' . 25800 2 75 . 2 2 5 5 C C6 C 13 139.358 0.3 . 1 . . . . . 105 C C6 . 25800 2 76 . 2 2 6 6 A H1' H 1 5.904 0.02 . 1 . . . . . 106 A H1' . 25800 2 77 . 2 2 6 6 A H2 H 1 7.738 0.02 . 1 . . . . . 106 A H2 . 25800 2 78 . 2 2 6 6 A H2' H 1 4.132 0.02 . 1 . . . . . 106 A H2' . 25800 2 79 . 2 2 6 6 A H3' H 1 4.067 0.02 . 1 . . . . . 106 A H3' . 25800 2 80 . 2 2 6 6 A H4' H 1 3.94 0.02 . 1 . . . . . 106 A H4' . 25800 2 81 . 2 2 6 6 A H5' H 1 3.831 0.02 . 1 . . . . . 106 A H5' . 25800 2 82 . 2 2 6 6 A H5'' H 1 3.738 0.02 . 1 . . . . . 106 A H5'' . 25800 2 83 . 2 2 6 6 A H8 H 1 8.295 0.02 . 1 . . . . . 106 A H8 . 25800 2 84 . 2 2 6 6 A C1' C 13 86.691 0.3 . 1 . . . . . 106 A C1' . 25800 2 85 . 2 2 6 6 A C2 C 13 152.025 0.3 . 1 . . . . . 106 A C2 . 25800 2 86 . 2 2 6 6 A C2' C 13 74.501 0.3 . 1 . . . . . 106 A C2' . 25800 2 87 . 2 2 6 6 A C3' C 13 69.515 0.3 . 1 . . . . . 106 A C3' . 25800 2 88 . 2 2 6 6 A C4' C 13 82.948 0.3 . 1 . . . . . 106 A C4' . 25800 2 89 . 2 2 6 6 A C5' C 13 64.021 0.3 . 1 . . . . . 106 A C5' . 25800 2 90 . 2 2 6 6 A C8 C 13 138.457 0.3 . 1 . . . . . 106 A C8 . 25800 2 stop_ save_