data_15865 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15865 _Entry.Title ; Detailed Structural Characterization of Unbound Protein Phosphatase 1 Inhibitors ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-07-07 _Entry.Accession_date 2008-07-07 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Assignment of backbone atoms of threonine-34 phosphorylated DARPP-32 residues 1-118.' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Barbara Dancheck . . . 15865 2 Angus Nairn . C. . 15865 3 Wolfgang Peti . . . 15865 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15865 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 346 15865 '15N chemical shifts' 102 15865 '1H chemical shifts' 102 15865 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 . . 2009-02-26 2008-07-07 update BMRB 'complete entry citation' 15865 1 . . 2008-11-17 2008-07-07 original author 'original release' 15865 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15176 'NMR assignment of DARPP-32 residues 1-118' 15865 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15865 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18954090 _Citation.Full_citation . _Citation.Title 'Detailed Structural Characterization of Unbound Protein Phosphatase 1 Inhibitors' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 47 _Citation.Journal_issue 47 _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 12346 _Citation.Page_last 12356 _Citation.Year 2008 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Barbara Dancheck . . . 15865 1 2 Angus Nairn . C. . 15865 1 3 Wolfgang Peti . . . 15865 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15865 _Assembly.ID 1 _Assembly.Name DARPP-32 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 13535 _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 DARPP-32 1 $DARPP-32 A . yes native no no . . . 15865 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_DARPP-32 _Entity.Sf_category entity _Entity.Sf_framecode DARPP-32 _Entity.Entry_ID 15865 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name DARPP-32 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GHMDPKGRKKIQFSVPAPPS QLDPRQVEMIRRRRPTPALL FRVSEHSSPEEESSPHQRTS GEGHHPKSKRPNPSAYTPPS LKAVQRIAESHLQTISNLSE NQASEEEDELGELRELGYPQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'First two residues, G H, are cloning artifcats, followed by residues 1 - 118 of DARPP-32, phosphorylated at threonine-34.' _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 120 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation C72S _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15176 . Darpp-32 . . . . . 100.00 120 100.00 100.00 1.55e-78 . . . . 15865 1 2 no GB AAH78954 . "Protein phosphatase 1, regulatory (inhibitor) subunit 1B [Rattus norvegicus]" . . . . . 98.33 205 98.31 98.31 2.85e-74 . . . . 15865 1 3 no GB AAT11858 . "dopamine- and cAMP-regulated phosphoprotein DARPP-32 [Rattus norvegicus]" . . . . . 98.33 205 98.31 98.31 2.85e-74 . . . . 15865 1 4 no GB EDM05918 . "protein phosphatase 1, regulatory (inhibitor) subunit 1B, isoform CRA_a, partial [Rattus norvegicus]" . . . . . 98.33 148 98.31 98.31 9.16e-76 . . . . 15865 1 5 no GB EDM05919 . "protein phosphatase 1, regulatory (inhibitor) subunit 1B, isoform CRA_a, partial [Rattus norvegicus]" . . . . . 98.33 148 98.31 98.31 9.16e-76 . . . . 15865 1 6 no REF NP_612530 . "protein phosphatase 1 regulatory subunit 1B [Rattus norvegicus]" . . . . . 98.33 205 98.31 98.31 2.85e-74 . . . . 15865 1 7 no SP Q6J4I0 . "RecName: Full=Protein phosphatase 1 regulatory subunit 1B; AltName: Full=DARPP-32; AltName: Full=Dopamine- and cAMP-regulated n" . . . . . 98.33 205 98.31 98.31 2.85e-74 . . . . 15865 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'protein phosphatase 1 inhibitor' 15865 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 15865 1 2 . HIS . 15865 1 3 . MET . 15865 1 4 . ASP . 15865 1 5 . PRO . 15865 1 6 . LYS . 15865 1 7 . GLY . 15865 1 8 . ARG . 15865 1 9 . LYS . 15865 1 10 . LYS . 15865 1 11 . ILE . 15865 1 12 . GLN . 15865 1 13 . PHE . 15865 1 14 . SER . 15865 1 15 . VAL . 15865 1 16 . PRO . 15865 1 17 . ALA . 15865 1 18 . PRO . 15865 1 19 . PRO . 15865 1 20 . SER . 15865 1 21 . GLN . 15865 1 22 . LEU . 15865 1 23 . ASP . 15865 1 24 . PRO . 15865 1 25 . ARG . 15865 1 26 . GLN . 15865 1 27 . VAL . 15865 1 28 . GLU . 15865 1 29 . MET . 15865 1 30 . ILE . 15865 1 31 . ARG . 15865 1 32 . ARG . 15865 1 33 . ARG . 15865 1 34 . ARG . 15865 1 35 . PRO . 15865 1 36 . THR . 15865 1 37 . PRO . 15865 1 38 . ALA . 15865 1 39 . LEU . 15865 1 40 . LEU . 15865 1 41 . PHE . 15865 1 42 . ARG . 15865 1 43 . VAL . 15865 1 44 . SER . 15865 1 45 . GLU . 15865 1 46 . HIS . 15865 1 47 . SER . 15865 1 48 . SER . 15865 1 49 . PRO . 15865 1 50 . GLU . 15865 1 51 . GLU . 15865 1 52 . GLU . 15865 1 53 . SER . 15865 1 54 . SER . 15865 1 55 . PRO . 15865 1 56 . HIS . 15865 1 57 . GLN . 15865 1 58 . ARG . 15865 1 59 . THR . 15865 1 60 . SER . 15865 1 61 . GLY . 15865 1 62 . GLU . 15865 1 63 . GLY . 15865 1 64 . HIS . 15865 1 65 . HIS . 15865 1 66 . PRO . 15865 1 67 . LYS . 15865 1 68 . SER . 15865 1 69 . LYS . 15865 1 70 . ARG . 15865 1 71 . PRO . 15865 1 72 . ASN . 15865 1 73 . PRO . 15865 1 74 . SER . 15865 1 75 . ALA . 15865 1 76 . TYR . 15865 1 77 . THR . 15865 1 78 . PRO . 15865 1 79 . PRO . 15865 1 80 . SER . 15865 1 81 . LEU . 15865 1 82 . LYS . 15865 1 83 . ALA . 15865 1 84 . VAL . 15865 1 85 . GLN . 15865 1 86 . ARG . 15865 1 87 . ILE . 15865 1 88 . ALA . 15865 1 89 . GLU . 15865 1 90 . SER . 15865 1 91 . HIS . 15865 1 92 . LEU . 15865 1 93 . GLN . 15865 1 94 . THR . 15865 1 95 . ILE . 15865 1 96 . SER . 15865 1 97 . ASN . 15865 1 98 . LEU . 15865 1 99 . SER . 15865 1 100 . GLU . 15865 1 101 . ASN . 15865 1 102 . GLN . 15865 1 103 . ALA . 15865 1 104 . SER . 15865 1 105 . GLU . 15865 1 106 . GLU . 15865 1 107 . GLU . 15865 1 108 . ASP . 15865 1 109 . GLU . 15865 1 110 . LEU . 15865 1 111 . GLY . 15865 1 112 . GLU . 15865 1 113 . LEU . 15865 1 114 . ARG . 15865 1 115 . GLU . 15865 1 116 . LEU . 15865 1 117 . GLY . 15865 1 118 . TYR . 15865 1 119 . PRO . 15865 1 120 . GLN . 15865 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 15865 1 . HIS 2 2 15865 1 . MET 3 3 15865 1 . ASP 4 4 15865 1 . PRO 5 5 15865 1 . LYS 6 6 15865 1 . GLY 7 7 15865 1 . ARG 8 8 15865 1 . LYS 9 9 15865 1 . LYS 10 10 15865 1 . ILE 11 11 15865 1 . GLN 12 12 15865 1 . PHE 13 13 15865 1 . SER 14 14 15865 1 . VAL 15 15 15865 1 . PRO 16 16 15865 1 . ALA 17 17 15865 1 . PRO 18 18 15865 1 . PRO 19 19 15865 1 . SER 20 20 15865 1 . GLN 21 21 15865 1 . LEU 22 22 15865 1 . ASP 23 23 15865 1 . PRO 24 24 15865 1 . ARG 25 25 15865 1 . GLN 26 26 15865 1 . VAL 27 27 15865 1 . GLU 28 28 15865 1 . MET 29 29 15865 1 . ILE 30 30 15865 1 . ARG 31 31 15865 1 . ARG 32 32 15865 1 . ARG 33 33 15865 1 . ARG 34 34 15865 1 . PRO 35 35 15865 1 . THR 36 36 15865 1 . PRO 37 37 15865 1 . ALA 38 38 15865 1 . LEU 39 39 15865 1 . LEU 40 40 15865 1 . PHE 41 41 15865 1 . ARG 42 42 15865 1 . VAL 43 43 15865 1 . SER 44 44 15865 1 . GLU 45 45 15865 1 . HIS 46 46 15865 1 . SER 47 47 15865 1 . SER 48 48 15865 1 . PRO 49 49 15865 1 . GLU 50 50 15865 1 . GLU 51 51 15865 1 . GLU 52 52 15865 1 . SER 53 53 15865 1 . SER 54 54 15865 1 . PRO 55 55 15865 1 . HIS 56 56 15865 1 . GLN 57 57 15865 1 . ARG 58 58 15865 1 . THR 59 59 15865 1 . SER 60 60 15865 1 . GLY 61 61 15865 1 . GLU 62 62 15865 1 . GLY 63 63 15865 1 . HIS 64 64 15865 1 . HIS 65 65 15865 1 . PRO 66 66 15865 1 . LYS 67 67 15865 1 . SER 68 68 15865 1 . LYS 69 69 15865 1 . ARG 70 70 15865 1 . PRO 71 71 15865 1 . ASN 72 72 15865 1 . PRO 73 73 15865 1 . SER 74 74 15865 1 . ALA 75 75 15865 1 . TYR 76 76 15865 1 . THR 77 77 15865 1 . PRO 78 78 15865 1 . PRO 79 79 15865 1 . SER 80 80 15865 1 . LEU 81 81 15865 1 . LYS 82 82 15865 1 . ALA 83 83 15865 1 . VAL 84 84 15865 1 . GLN 85 85 15865 1 . ARG 86 86 15865 1 . ILE 87 87 15865 1 . ALA 88 88 15865 1 . GLU 89 89 15865 1 . SER 90 90 15865 1 . HIS 91 91 15865 1 . LEU 92 92 15865 1 . GLN 93 93 15865 1 . THR 94 94 15865 1 . ILE 95 95 15865 1 . SER 96 96 15865 1 . ASN 97 97 15865 1 . LEU 98 98 15865 1 . SER 99 99 15865 1 . GLU 100 100 15865 1 . ASN 101 101 15865 1 . GLN 102 102 15865 1 . ALA 103 103 15865 1 . SER 104 104 15865 1 . GLU 105 105 15865 1 . GLU 106 106 15865 1 . GLU 107 107 15865 1 . ASP 108 108 15865 1 . GLU 109 109 15865 1 . LEU 110 110 15865 1 . GLY 111 111 15865 1 . GLU 112 112 15865 1 . LEU 113 113 15865 1 . ARG 114 114 15865 1 . GLU 115 115 15865 1 . LEU 116 116 15865 1 . GLY 117 117 15865 1 . TYR 118 118 15865 1 . PRO 119 119 15865 1 . GLN 120 120 15865 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 15865 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $DARPP-32 . 10116 organism . 'Rattus norvegicus' Rat . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . . . . . . . . . 15865 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 15865 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $DARPP-32 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL-21 DE3 RIL' . . . . . . . . . . . . . . . RP1B . . . . . . 15865 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15865 _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 DARPP-32 '[U-99% 13C; U-99% 15N]' . . 1 $DARPP-32 . . 600 . . uM . . . . 15865 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 15865 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 15865 1 4 PMSF 'natural abundance' . . . . . . 250 . . uM . . . . 15865 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 15865 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15865 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 DARPP-32 '[U-99% 15N]' . . 1 $DARPP-32 . . 750 . . uM . . . . 15865 2 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 15865 2 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 15865 2 4 PMSF 'natural abundance' . . . . . . 250 . . uM . . . . 15865 2 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 15865 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 15865 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 15865 1 pH 5.5 . pH 15865 1 pressure 1 . atm 15865 1 temperature 298 . K 15865 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 15865 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15865 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15865 1 processing 15865 1 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 15865 _Software.ID 2 _Software.Name XEASY _Software.Version 1.5 _Software.Details 'Cara, version 1.5' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 15865 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15865 2 'data analysis' 15865 2 'peak picking' 15865 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15865 _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_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15865 _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 . . . 15865 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 15865 _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 . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15865 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15865 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15865 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15865 1 5 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15865 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 15865 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 15865 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15865 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15865 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 15865 _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' . . . 15865 1 2 '3D CBCA(CO)NH' . . . 15865 1 3 '3D HNCACB' . . . 15865 1 4 '3D HNCO' . . . 15865 1 5 '3D HCACO' . . . 15865 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 HIS C C 13 174.459 0.241 . 1 . . . . 2 HIS C . 15865 1 2 . 1 1 2 2 HIS CA C 13 56.216 0.241 . 1 . . . . 2 HIS CA . 15865 1 3 . 1 1 2 2 HIS CB C 13 29.482 0.241 . 1 . . . . 2 HIS CB . 15865 1 4 . 1 1 3 3 MET H H 1 8.519 0.01 . 1 . . . . 3 MET H . 15865 1 5 . 1 1 3 3 MET C C 13 175.394 0.241 . 1 . . . . 3 MET C . 15865 1 6 . 1 1 3 3 MET CA C 13 55.007 0.241 . 1 . . . . 3 MET CA . 15865 1 7 . 1 1 3 3 MET CB C 13 32.805 0.241 . 1 . . . . 3 MET CB . 15865 1 8 . 1 1 3 3 MET N N 15 122.401 0.002 . 1 . . . . 3 MET N . 15865 1 9 . 1 1 4 4 ASP H H 1 8.373 0.01 . 1 . . . . 4 ASP H . 15865 1 10 . 1 1 4 4 ASP C C 13 174.905 0.241 . 1 . . . . 4 ASP C . 15865 1 11 . 1 1 4 4 ASP CA C 13 52.347 0.241 . 1 . . . . 4 ASP CA . 15865 1 12 . 1 1 4 4 ASP CB C 13 41.012 0.241 . 1 . . . . 4 ASP CB . 15865 1 13 . 1 1 4 4 ASP N N 15 124.088 0.002 . 1 . . . . 4 ASP N . 15865 1 14 . 1 1 5 5 PRO C C 13 177.466 0.241 . 1 . . . . 5 PRO C . 15865 1 15 . 1 1 5 5 PRO CA C 13 63.702 0.241 . 1 . . . . 5 PRO CA . 15865 1 16 . 1 1 5 5 PRO CB C 13 32.084 0.241 . 1 . . . . 5 PRO CB . 15865 1 17 . 1 1 6 6 LYS H H 1 8.359 0.01 . 1 . . . . 6 LYS H . 15865 1 18 . 1 1 6 6 LYS C C 13 177.466 0.241 . 1 . . . . 6 LYS C . 15865 1 19 . 1 1 6 6 LYS CA C 13 56.698 0.241 . 1 . . . . 6 LYS CA . 15865 1 20 . 1 1 6 6 LYS CB C 13 32.324 0.241 . 1 . . . . 6 LYS CB . 15865 1 21 . 1 1 6 6 LYS N N 15 120.206 0.002 . 1 . . . . 6 LYS N . 15865 1 22 . 1 1 7 7 GLY H H 1 8.178 0.01 . 1 . . . . 7 GLY H . 15865 1 23 . 1 1 7 7 GLY C C 13 174.174 0.241 . 1 . . . . 7 GLY C . 15865 1 24 . 1 1 7 7 GLY CA C 13 45.357 0.241 . 1 . . . . 7 GLY CA . 15865 1 25 . 1 1 7 7 GLY N N 15 109.158 0.002 . 1 . . . . 7 GLY N . 15865 1 26 . 1 1 8 8 ARG H H 1 8.041 0.01 . 1 . . . . 8 ARG H . 15865 1 27 . 1 1 8 8 ARG C C 13 176.409 0.241 . 1 . . . . 8 ARG C . 15865 1 28 . 1 1 8 8 ARG CA C 13 56.218 0.241 . 1 . . . . 8 ARG CA . 15865 1 29 . 1 1 8 8 ARG CB C 13 30.630 0.241 . 1 . . . . 8 ARG CB . 15865 1 30 . 1 1 8 8 ARG N N 15 120.671 0.002 . 1 . . . . 8 ARG N . 15865 1 31 . 1 1 9 9 LYS H H 1 8.295 0.01 . 1 . . . . 9 LYS H . 15865 1 32 . 1 1 9 9 LYS C C 13 176.450 0.241 . 1 . . . . 9 LYS C . 15865 1 33 . 1 1 9 9 LYS CA C 13 56.215 0.241 . 1 . . . . 9 LYS CA . 15865 1 34 . 1 1 9 9 LYS CB C 13 33.048 0.241 . 1 . . . . 9 LYS CB . 15865 1 35 . 1 1 9 9 LYS N N 15 122.973 0.002 . 1 . . . . 9 LYS N . 15865 1 36 . 1 1 10 10 LYS H H 1 8.305 0.01 . 1 . . . . 10 LYS H . 15865 1 37 . 1 1 10 10 LYS C C 13 176.409 0.241 . 1 . . . . 10 LYS C . 15865 1 38 . 1 1 10 10 LYS CA C 13 56.223 0.241 . 1 . . . . 10 LYS CA . 15865 1 39 . 1 1 10 10 LYS CB C 13 32.800 0.241 . 1 . . . . 10 LYS CB . 15865 1 40 . 1 1 10 10 LYS N N 15 123.538 0.002 . 1 . . . . 10 LYS N . 15865 1 41 . 1 1 11 11 ILE H H 1 8.124 0.01 . 1 . . . . 11 ILE H . 15865 1 42 . 1 1 11 11 ILE C C 13 175.841 0.241 . 1 . . . . 11 ILE C . 15865 1 43 . 1 1 11 11 ILE CA C 13 61.042 0.241 . 1 . . . . 11 ILE CA . 15865 1 44 . 1 1 11 11 ILE CB C 13 38.600 0.241 . 1 . . . . 11 ILE CB . 15865 1 45 . 1 1 11 11 ILE N N 15 123.055 0.002 . 1 . . . . 11 ILE N . 15865 1 46 . 1 1 12 12 GLN H H 1 8.314 0.01 . 1 . . . . 12 GLN H . 15865 1 47 . 1 1 12 12 GLN C C 13 175.192 0.241 . 1 . . . . 12 GLN C . 15865 1 48 . 1 1 12 12 GLN CA C 13 55.498 0.241 . 1 . . . . 12 GLN CA . 15865 1 49 . 1 1 12 12 GLN CB C 13 29.661 0.241 . 1 . . . . 12 GLN CB . 15865 1 50 . 1 1 12 12 GLN N N 15 124.920 0.002 . 1 . . . . 12 GLN N . 15865 1 51 . 1 1 13 13 PHE H H 1 8.227 0.01 . 1 . . . . 13 PHE H . 15865 1 52 . 1 1 13 13 PHE C C 13 175.394 0.241 . 1 . . . . 13 PHE C . 15865 1 53 . 1 1 13 13 PHE CA C 13 57.667 0.241 . 1 . . . . 13 PHE CA . 15865 1 54 . 1 1 13 13 PHE CB C 13 39.801 0.241 . 1 . . . . 13 PHE CB . 15865 1 55 . 1 1 13 13 PHE N N 15 122.248 0.002 . 1 . . . . 13 PHE N . 15865 1 56 . 1 1 14 14 SER H H 1 8.159 0.01 . 1 . . . . 14 SER H . 15865 1 57 . 1 1 14 14 SER C C 13 173.603 0.241 . 1 . . . . 14 SER C . 15865 1 58 . 1 1 14 14 SER CA C 13 57.905 0.241 . 1 . . . . 14 SER CA . 15865 1 59 . 1 1 14 14 SER CB C 13 63.936 0.241 . 1 . . . . 14 SER CB . 15865 1 60 . 1 1 14 14 SER N N 15 118.028 0.002 . 1 . . . . 14 SER N . 15865 1 61 . 1 1 15 15 VAL H H 1 8.124 0.01 . 1 . . . . 15 VAL H . 15865 1 62 . 1 1 15 15 VAL C C 13 175.811 0.241 . 1 . . . . 15 VAL C . 15865 1 63 . 1 1 15 15 VAL CA C 13 61.051 0.241 . 1 . . . . 15 VAL CA . 15865 1 64 . 1 1 15 15 VAL CB C 13 32.797 0.241 . 1 . . . . 15 VAL CB . 15865 1 65 . 1 1 15 15 VAL N N 15 123.209 0.002 . 1 . . . . 15 VAL N . 15865 1 66 . 1 1 16 16 PRO C C 13 176.125 0.241 . 1 . . . . 16 PRO C . 15865 1 67 . 1 1 16 16 PRO CA C 13 62.978 0.241 . 1 . . . . 16 PRO CA . 15865 1 68 . 1 1 16 16 PRO CB C 13 32.078 0.241 . 1 . . . . 16 PRO CB . 15865 1 69 . 1 1 17 17 ALA H H 1 8.278 0.01 . 1 . . . . 17 ALA H . 15865 1 70 . 1 1 17 17 ALA C C 13 175.106 0.241 . 1 . . . . 17 ALA C . 15865 1 71 . 1 1 17 17 ALA CA C 13 50.176 0.241 . 1 . . . . 17 ALA CA . 15865 1 72 . 1 1 17 17 ALA CB C 13 17.837 0.241 . 1 . . . . 17 ALA CB . 15865 1 73 . 1 1 17 17 ALA N N 15 125.833 0.002 . 1 . . . . 17 ALA N . 15865 1 74 . 1 1 19 19 PRO C C 13 177.059 0.241 . 1 . . . . 19 PRO C . 15865 1 75 . 1 1 19 19 PRO CA C 13 62.969 0.241 . 1 . . . . 19 PRO CA . 15865 1 76 . 1 1 19 19 PRO CB C 13 31.847 0.241 . 1 . . . . 19 PRO CB . 15865 1 77 . 1 1 20 20 SER H H 1 8.297 0.01 . 1 . . . . 20 SER H . 15865 1 78 . 1 1 20 20 SER C C 13 174.662 0.241 . 1 . . . . 20 SER C . 15865 1 79 . 1 1 20 20 SER CA C 13 58.390 0.241 . 1 . . . . 20 SER CA . 15865 1 80 . 1 1 20 20 SER CB C 13 63.705 0.241 . 1 . . . . 20 SER CB . 15865 1 81 . 1 1 20 20 SER N N 15 115.853 0.002 . 1 . . . . 20 SER N . 15865 1 82 . 1 1 21 21 GLN H H 1 8.339 0.01 . 1 . . . . 21 GLN H . 15865 1 83 . 1 1 21 21 GLN C C 13 175.557 0.241 . 1 . . . . 21 GLN C . 15865 1 84 . 1 1 21 21 GLN CA C 13 55.743 0.241 . 1 . . . . 21 GLN CA . 15865 1 85 . 1 1 21 21 GLN CB C 13 29.434 0.241 . 1 . . . . 21 GLN CB . 15865 1 86 . 1 1 21 21 GLN N N 15 122.182 0.002 . 1 . . . . 21 GLN N . 15865 1 87 . 1 1 22 22 LEU H H 1 8.100 0.01 . 1 . . . . 22 LEU H . 15865 1 88 . 1 1 22 22 LEU C C 13 176.653 0.241 . 1 . . . . 22 LEU C . 15865 1 89 . 1 1 22 22 LEU CA C 13 54.771 0.241 . 1 . . . . 22 LEU CA . 15865 1 90 . 1 1 22 22 LEU CB C 13 42.516 0.241 . 1 . . . . 22 LEU CB . 15865 1 91 . 1 1 22 22 LEU N N 15 123.070 0.002 . 1 . . . . 22 LEU N . 15865 1 92 . 1 1 23 23 ASP H H 1 8.308 0.01 . 1 . . . . 23 ASP H . 15865 1 93 . 1 1 23 23 ASP C C 13 175.149 0.241 . 1 . . . . 23 ASP C . 15865 1 94 . 1 1 23 23 ASP CA C 13 51.866 0.241 . 1 . . . . 23 ASP CA . 15865 1 95 . 1 1 23 23 ASP CB C 13 41.486 0.241 . 1 . . . . 23 ASP CB . 15865 1 96 . 1 1 23 23 ASP N N 15 123.601 0.002 . 1 . . . . 23 ASP N . 15865 1 97 . 1 1 24 24 PRO C C 13 178.074 0.241 . 1 . . . . 24 PRO C . 15865 1 98 . 1 1 24 24 PRO CA C 13 64.421 0.241 . 1 . . . . 24 PRO CA . 15865 1 99 . 1 1 24 24 PRO CB C 13 32.087 0.241 . 1 . . . . 24 PRO CB . 15865 1 100 . 1 1 25 25 ARG H H 1 8.339 0.01 . 1 . . . . 25 ARG H . 15865 1 101 . 1 1 25 25 ARG C C 13 177.750 0.241 . 1 . . . . 25 ARG C . 15865 1 102 . 1 1 25 25 ARG CA C 13 57.427 0.241 . 1 . . . . 25 ARG CA . 15865 1 103 . 1 1 25 25 ARG CB C 13 29.912 0.241 . 1 . . . . 25 ARG CB . 15865 1 104 . 1 1 25 25 ARG N N 15 118.649 0.002 . 1 . . . . 25 ARG N . 15865 1 105 . 1 1 26 26 GLN H H 1 7.959 0.01 . 1 . . . . 26 GLN H . 15865 1 106 . 1 1 26 26 GLN C C 13 176.974 0.241 . 1 . . . . 26 GLN C . 15865 1 107 . 1 1 26 26 GLN CA C 13 56.705 0.241 . 1 . . . . 26 GLN CA . 15865 1 108 . 1 1 26 26 GLN CB C 13 28.948 0.241 . 1 . . . . 26 GLN CB . 15865 1 109 . 1 1 26 26 GLN N N 15 119.768 0.002 . 1 . . . . 26 GLN N . 15865 1 110 . 1 1 27 27 VAL H H 1 7.850 0.01 . 1 . . . . 27 VAL H . 15865 1 111 . 1 1 27 27 VAL C C 13 176.978 0.241 . 1 . . . . 27 VAL C . 15865 1 112 . 1 1 27 27 VAL CA C 13 63.945 0.241 . 1 . . . . 27 VAL CA . 15865 1 113 . 1 1 27 27 VAL CB C 13 32.317 0.241 . 1 . . . . 27 VAL CB . 15865 1 114 . 1 1 27 27 VAL N N 15 120.206 0.002 . 1 . . . . 27 VAL N . 15865 1 115 . 1 1 28 28 GLU H H 1 8.105 0.01 . 1 . . . . 28 GLU H . 15865 1 116 . 1 1 28 28 GLU C C 13 177.140 0.241 . 1 . . . . 28 GLU C . 15865 1 117 . 1 1 28 28 GLU CA C 13 57.421 0.241 . 1 . . . . 28 GLU CA . 15865 1 118 . 1 1 28 28 GLU CB C 13 29.672 0.241 . 1 . . . . 28 GLU CB . 15865 1 119 . 1 1 28 28 GLU N N 15 122.017 0.002 . 1 . . . . 28 GLU N . 15865 1 120 . 1 1 29 29 MET H H 1 8.005 0.01 . 1 . . . . 29 MET H . 15865 1 121 . 1 1 29 29 MET C C 13 177.177 0.241 . 1 . . . . 29 MET C . 15865 1 122 . 1 1 29 29 MET CA C 13 56.699 0.241 . 1 . . . . 29 MET CA . 15865 1 123 . 1 1 29 29 MET CB C 13 32.552 0.241 . 1 . . . . 29 MET CB . 15865 1 124 . 1 1 29 29 MET N N 15 120.162 0.002 . 1 . . . . 29 MET N . 15865 1 125 . 1 1 30 30 ILE H H 1 7.919 0.01 . 1 . . . . 30 ILE H . 15865 1 126 . 1 1 30 30 ILE C C 13 176.896 0.241 . 1 . . . . 30 ILE C . 15865 1 127 . 1 1 30 30 ILE CA C 13 62.258 0.241 . 1 . . . . 30 ILE CA . 15865 1 128 . 1 1 30 30 ILE CB C 13 38.356 0.241 . 1 . . . . 30 ILE CB . 15865 1 129 . 1 1 30 30 ILE N N 15 120.992 0.002 . 1 . . . . 30 ILE N . 15865 1 130 . 1 1 31 31 ARG H H 1 8.114 0.01 . 1 . . . . 31 ARG H . 15865 1 131 . 1 1 31 31 ARG C C 13 176.612 0.241 . 1 . . . . 31 ARG C . 15865 1 132 . 1 1 31 31 ARG CA C 13 56.706 0.241 . 1 . . . . 31 ARG CA . 15865 1 133 . 1 1 31 31 ARG CB C 13 30.390 0.241 . 1 . . . . 31 ARG CB . 15865 1 134 . 1 1 31 31 ARG N N 15 123.440 0.002 . 1 . . . . 31 ARG N . 15865 1 135 . 1 1 32 32 ARG H H 1 8.041 0.01 . 1 . . . . 32 ARG H . 15865 1 136 . 1 1 32 32 ARG C C 13 176.166 0.241 . 1 . . . . 32 ARG C . 15865 1 137 . 1 1 32 32 ARG CA C 13 56.276 0.241 . 1 . . . . 32 ARG CA . 15865 1 138 . 1 1 32 32 ARG CB C 13 30.629 0.241 . 1 . . . . 32 ARG CB . 15865 1 139 . 1 1 32 32 ARG N N 15 120.945 0.002 . 1 . . . . 32 ARG N . 15865 1 140 . 1 1 33 33 ARG H H 1 8.095 0.01 . 1 . . . . 33 ARG H . 15865 1 141 . 1 1 33 33 ARG C C 13 176.002 0.241 . 1 . . . . 33 ARG C . 15865 1 142 . 1 1 33 33 ARG CA C 13 56.213 0.241 . 1 . . . . 33 ARG CA . 15865 1 143 . 1 1 33 33 ARG CB C 13 30.681 0.241 . 1 . . . . 33 ARG CB . 15865 1 144 . 1 1 33 33 ARG N N 15 122.154 0.002 . 1 . . . . 33 ARG N . 15865 1 145 . 1 1 34 34 ARG H H 1 8.344 0.01 . 1 . . . . 34 ARG H . 15865 1 146 . 1 1 34 34 ARG C C 13 174.133 0.241 . 1 . . . . 34 ARG C . 15865 1 147 . 1 1 34 34 ARG CA C 13 52.579 0.241 . 1 . . . . 34 ARG CA . 15865 1 148 . 1 1 34 34 ARG CB C 13 32.074 0.241 . 1 . . . . 34 ARG CB . 15865 1 149 . 1 1 34 34 ARG N N 15 124.432 0.002 . 1 . . . . 34 ARG N . 15865 1 150 . 1 1 35 35 PRO C C 13 176.571 0.241 . 1 . . . . 35 PRO C . 15865 1 151 . 1 1 35 35 PRO CA C 13 62.977 0.241 . 1 . . . . 35 PRO CA . 15865 1 152 . 1 1 35 35 PRO CB C 13 32.079 0.241 . 1 . . . . 35 PRO CB . 15865 1 153 . 1 1 36 36 THR H H 1 8.773 0.01 . 1 . . . . 36 THR H . 15865 1 154 . 1 1 36 36 THR C C 13 177.669 0.241 . 1 . . . . 36 THR C . 15865 1 155 . 1 1 36 36 THR CA C 13 60.565 0.241 . 1 . . . . 36 THR CA . 15865 1 156 . 1 1 36 36 THR CB C 13 73.115 0.241 . 1 . . . . 36 THR CB . 15865 1 157 . 1 1 36 36 THR N N 15 119.852 0.002 . 1 . . . . 36 THR N . 15865 1 158 . 1 1 37 37 PRO C C 13 176.531 0.241 . 1 . . . . 37 PRO C . 15865 1 159 . 1 1 37 37 PRO CA C 13 63.461 0.241 . 1 . . . . 37 PRO CA . 15865 1 160 . 1 1 37 37 PRO CB C 13 32.093 0.241 . 1 . . . . 37 PRO CB . 15865 1 161 . 1 1 38 38 ALA H H 1 8.335 0.01 . 1 . . . . 38 ALA H . 15865 1 162 . 1 1 38 38 ALA C C 13 177.749 0.241 . 1 . . . . 38 ALA C . 15865 1 163 . 1 1 38 38 ALA CA C 13 52.579 0.241 . 1 . . . . 38 ALA CA . 15865 1 164 . 1 1 38 38 ALA CB C 13 19.026 0.241 . 1 . . . . 38 ALA CB . 15865 1 165 . 1 1 38 38 ALA N N 15 124.619 0.002 . 1 . . . . 38 ALA N . 15865 1 166 . 1 1 39 39 LEU H H 1 8.086 0.01 . 1 . . . . 39 LEU H . 15865 1 167 . 1 1 39 39 LEU C C 13 177.100 0.241 . 1 . . . . 39 LEU C . 15865 1 168 . 1 1 39 39 LEU CA C 13 55.247 0.241 . 1 . . . . 39 LEU CA . 15865 1 169 . 1 1 39 39 LEU CB C 13 42.211 0.241 . 1 . . . . 39 LEU CB . 15865 1 170 . 1 1 39 39 LEU N N 15 121.398 0.002 . 1 . . . . 39 LEU N . 15865 1 171 . 1 1 40 40 LEU H H 1 7.988 0.01 . 1 . . . . 40 LEU H . 15865 1 172 . 1 1 40 40 LEU C C 13 176.774 0.241 . 1 . . . . 40 LEU C . 15865 1 173 . 1 1 40 40 LEU CA C 13 55.014 0.241 . 1 . . . . 40 LEU CA . 15865 1 174 . 1 1 40 40 LEU CB C 13 42.223 0.241 . 1 . . . . 40 LEU CB . 15865 1 175 . 1 1 40 40 LEU N N 15 122.269 0.002 . 1 . . . . 40 LEU N . 15865 1 176 . 1 1 41 41 PHE H H 1 8.012 0.01 . 1 . . . . 41 PHE H . 15865 1 177 . 1 1 41 41 PHE C C 13 175.230 0.241 . 1 . . . . 41 PHE C . 15865 1 178 . 1 1 41 41 PHE CA C 13 57.430 0.241 . 1 . . . . 41 PHE CA . 15865 1 179 . 1 1 41 41 PHE CB C 13 39.562 0.241 . 1 . . . . 41 PHE CB . 15865 1 180 . 1 1 41 41 PHE N N 15 120.609 0.002 . 1 . . . . 41 PHE N . 15865 1 181 . 1 1 42 42 ARG H H 1 8.099 0.01 . 1 . . . . 42 ARG H . 15865 1 182 . 1 1 42 42 ARG C C 13 175.904 0.241 . 1 . . . . 42 ARG C . 15865 1 183 . 1 1 42 42 ARG CA C 13 55.735 0.241 . 1 . . . . 42 ARG CA . 15865 1 184 . 1 1 42 42 ARG CB C 13 30.872 0.241 . 1 . . . . 42 ARG CB . 15865 1 185 . 1 1 42 42 ARG N N 15 123.127 0.002 . 1 . . . . 42 ARG N . 15865 1 186 . 1 1 43 43 VAL H H 1 8.159 0.01 . 1 . . . . 43 VAL H . 15865 1 187 . 1 1 43 43 VAL C C 13 176.245 0.241 . 1 . . . . 43 VAL C . 15865 1 188 . 1 1 43 43 VAL CA C 13 62.499 0.241 . 1 . . . . 43 VAL CA . 15865 1 189 . 1 1 43 43 VAL CB C 13 32.561 0.241 . 1 . . . . 43 VAL CB . 15865 1 190 . 1 1 43 43 VAL N N 15 121.893 0.002 . 1 . . . . 43 VAL N . 15865 1 191 . 1 1 44 44 SER H H 1 8.319 0.01 . 1 . . . . 44 SER H . 15865 1 192 . 1 1 44 44 SER C C 13 174.500 0.241 . 1 . . . . 44 SER C . 15865 1 193 . 1 1 44 44 SER CA C 13 58.271 0.241 . 1 . . . . 44 SER CA . 15865 1 194 . 1 1 44 44 SER CB C 13 63.705 0.241 . 1 . . . . 44 SER CB . 15865 1 195 . 1 1 44 44 SER N N 15 119.106 0.002 . 1 . . . . 44 SER N . 15865 1 196 . 1 1 45 45 GLU H H 1 8.376 0.01 . 1 . . . . 45 GLU H . 15865 1 197 . 1 1 45 45 GLU C C 13 176.165 0.241 . 1 . . . . 45 GLU C . 15865 1 198 . 1 1 45 45 GLU CA C 13 56.702 0.241 . 1 . . . . 45 GLU CA . 15865 1 199 . 1 1 45 45 GLU CB C 13 30.151 0.241 . 1 . . . . 45 GLU CB . 15865 1 200 . 1 1 45 45 GLU N N 15 123.002 0.002 . 1 . . . . 45 GLU N . 15865 1 201 . 1 1 46 46 HIS H H 1 8.397 0.01 . 1 . . . . 46 HIS H . 15865 1 202 . 1 1 46 46 HIS C C 13 174.297 0.241 . 1 . . . . 46 HIS C . 15865 1 203 . 1 1 46 46 HIS CA C 13 55.014 0.241 . 1 . . . . 46 HIS CA . 15865 1 204 . 1 1 46 46 HIS CB C 13 29.186 0.241 . 1 . . . . 46 HIS CB . 15865 1 205 . 1 1 46 46 HIS N N 15 118.838 0.002 . 1 . . . . 46 HIS N . 15865 1 206 . 1 1 47 47 SER H H 1 8.301 0.01 . 1 . . . . 47 SER H . 15865 1 207 . 1 1 47 47 SER C C 13 174.111 0.241 . 1 . . . . 47 SER C . 15865 1 208 . 1 1 47 47 SER CA C 13 58.392 0.241 . 1 . . . . 47 SER CA . 15865 1 209 . 1 1 47 47 SER CB C 13 63.940 0.241 . 1 . . . . 47 SER CB . 15865 1 210 . 1 1 47 47 SER N N 15 117.511 0.002 . 1 . . . . 47 SER N . 15865 1 211 . 1 1 48 48 SER H H 1 8.388 0.01 . 1 . . . . 48 SER H . 15865 1 212 . 1 1 48 48 SER C C 13 178.116 0.241 . 1 . . . . 48 SER C . 15865 1 213 . 1 1 48 48 SER CA C 13 56.459 0.241 . 1 . . . . 48 SER CA . 15865 1 214 . 1 1 48 48 SER CB C 13 63.459 0.241 . 1 . . . . 48 SER CB . 15865 1 215 . 1 1 48 48 SER N N 15 119.075 0.002 . 1 . . . . 48 SER N . 15865 1 216 . 1 1 49 49 PRO C C 13 177.345 0.241 . 1 . . . . 49 PRO C . 15865 1 217 . 1 1 49 49 PRO CA C 13 63.700 0.241 . 1 . . . . 49 PRO CA . 15865 1 218 . 1 1 49 49 PRO CB C 13 31.860 0.241 . 1 . . . . 49 PRO CB . 15865 1 219 . 1 1 50 50 GLU H H 1 8.467 0.01 . 1 . . . . 50 GLU H . 15865 1 220 . 1 1 50 50 GLU C C 13 176.816 0.241 . 1 . . . . 50 GLU C . 15865 1 221 . 1 1 50 50 GLU CA C 13 56.941 0.241 . 1 . . . . 50 GLU CA . 15865 1 222 . 1 1 50 50 GLU CB C 13 29.695 0.241 . 1 . . . . 50 GLU CB . 15865 1 223 . 1 1 50 50 GLU N N 15 120.340 0.002 . 1 . . . . 50 GLU N . 15865 1 224 . 1 1 51 51 GLU H H 1 8.207 0.01 . 1 . . . . 51 GLU H . 15865 1 225 . 1 1 51 51 GLU C C 13 176.734 0.241 . 1 . . . . 51 GLU C . 15865 1 226 . 1 1 51 51 GLU CA C 13 56.701 0.241 . 1 . . . . 51 GLU CA . 15865 1 227 . 1 1 51 51 GLU CB C 13 30.127 0.241 . 1 . . . . 51 GLU CB . 15865 1 228 . 1 1 51 51 GLU N N 15 121.406 0.002 . 1 . . . . 51 GLU N . 15865 1 229 . 1 1 52 52 GLU H H 1 8.286 0.01 . 1 . . . . 52 GLU H . 15865 1 230 . 1 1 52 52 GLU C C 13 176.571 0.241 . 1 . . . . 52 GLU C . 15865 1 231 . 1 1 52 52 GLU CA C 13 56.716 0.241 . 1 . . . . 52 GLU CA . 15865 1 232 . 1 1 52 52 GLU CB C 13 30.152 0.241 . 1 . . . . 52 GLU CB . 15865 1 233 . 1 1 52 52 GLU N N 15 121.769 0.002 . 1 . . . . 52 GLU N . 15865 1 234 . 1 1 53 53 SER H H 1 8.217 0.01 . 1 . . . . 53 SER H . 15865 1 235 . 1 1 53 53 SER C C 13 174.337 0.241 . 1 . . . . 53 SER C . 15865 1 236 . 1 1 53 53 SER CA C 13 58.560 0.241 . 1 . . . . 53 SER CA . 15865 1 237 . 1 1 53 53 SER CB C 13 63.706 0.241 . 1 . . . . 53 SER CB . 15865 1 238 . 1 1 53 53 SER N N 15 116.383 0.002 . 1 . . . . 53 SER N . 15865 1 239 . 1 1 54 54 SER H H 1 8.124 0.01 . 1 . . . . 54 SER H . 15865 1 240 . 1 1 54 54 SER C C 13 177.954 0.241 . 1 . . . . 54 SER C . 15865 1 241 . 1 1 54 54 SER CA C 13 56.460 0.241 . 1 . . . . 54 SER CA . 15865 1 242 . 1 1 54 54 SER CB C 13 63.454 0.241 . 1 . . . . 54 SER CB . 15865 1 243 . 1 1 54 54 SER N N 15 118.578 0.002 . 1 . . . . 54 SER N . 15865 1 244 . 1 1 55 55 PRO C C 13 177.019 0.241 . 1 . . . . 55 PRO C . 15865 1 245 . 1 1 55 55 PRO CA C 13 63.461 0.241 . 1 . . . . 55 PRO CA . 15865 1 246 . 1 1 55 55 PRO CB C 13 31.842 0.241 . 1 . . . . 55 PRO CB . 15865 1 247 . 1 1 56 56 HIS H H 1 8.436 0.01 . 1 . . . . 56 HIS H . 15865 1 248 . 1 1 56 56 HIS C C 13 174.580 0.241 . 1 . . . . 56 HIS C . 15865 1 249 . 1 1 56 56 HIS CA C 13 55.493 0.241 . 1 . . . . 56 HIS CA . 15865 1 250 . 1 1 56 56 HIS CB C 13 28.937 0.241 . 1 . . . . 56 HIS CB . 15865 1 251 . 1 1 56 56 HIS N N 15 118.339 0.002 . 1 . . . . 56 HIS N . 15865 1 252 . 1 1 57 57 GLN H H 1 8.295 0.01 . 1 . . . . 57 GLN H . 15865 1 253 . 1 1 57 57 GLN C C 13 175.936 0.241 . 1 . . . . 57 GLN C . 15865 1 254 . 1 1 57 57 GLN CA C 13 55.974 0.241 . 1 . . . . 57 GLN CA . 15865 1 255 . 1 1 57 57 GLN CB C 13 29.423 0.241 . 1 . . . . 57 GLN CB . 15865 1 256 . 1 1 57 57 GLN N N 15 121.583 0.002 . 1 . . . . 57 GLN N . 15865 1 257 . 1 1 58 58 ARG H H 1 8.476 0.01 . 1 . . . . 58 ARG H . 15865 1 258 . 1 1 58 58 ARG C C 13 176.694 0.241 . 1 . . . . 58 ARG C . 15865 1 259 . 1 1 58 58 ARG CA C 13 56.228 0.241 . 1 . . . . 58 ARG CA . 15865 1 260 . 1 1 58 58 ARG CB C 13 30.634 0.241 . 1 . . . . 58 ARG CB . 15865 1 261 . 1 1 58 58 ARG N N 15 123.034 0.002 . 1 . . . . 58 ARG N . 15865 1 262 . 1 1 59 59 THR H H 1 8.224 0.01 . 1 . . . . 59 THR H . 15865 1 263 . 1 1 59 59 THR C C 13 174.692 0.241 . 1 . . . . 59 THR C . 15865 1 264 . 1 1 59 59 THR CA C 13 61.542 0.241 . 1 . . . . 59 THR CA . 15865 1 265 . 1 1 59 59 THR CB C 13 69.980 0.241 . 1 . . . . 59 THR CB . 15865 1 266 . 1 1 59 59 THR N N 15 115.336 0.002 . 1 . . . . 59 THR N . 15865 1 267 . 1 1 60 60 SER H H 1 8.334 0.01 . 1 . . . . 60 SER H . 15865 1 268 . 1 1 60 60 SER C C 13 175.108 0.241 . 1 . . . . 60 SER C . 15865 1 269 . 1 1 60 60 SER CA C 13 58.634 0.241 . 1 . . . . 60 SER CA . 15865 1 270 . 1 1 60 60 SER CB C 13 63.709 0.241 . 1 . . . . 60 SER CB . 15865 1 271 . 1 1 60 60 SER N N 15 117.987 0.002 . 1 . . . . 60 SER N . 15865 1 272 . 1 1 61 61 GLY H H 1 8.422 0.01 . 1 . . . . 61 GLY H . 15865 1 273 . 1 1 61 61 GLY C C 13 174.297 0.241 . 1 . . . . 61 GLY C . 15865 1 274 . 1 1 61 61 GLY CA C 13 45.356 0.241 . 1 . . . . 61 GLY CA . 15865 1 275 . 1 1 61 61 GLY N N 15 111.013 0.002 . 1 . . . . 61 GLY N . 15865 1 276 . 1 1 62 62 GLU H H 1 8.222 0.01 . 1 . . . . 62 GLU H . 15865 1 277 . 1 1 62 62 GLU C C 13 177.060 0.241 . 1 . . . . 62 GLU C . 15865 1 278 . 1 1 62 62 GLU CA C 13 56.699 0.241 . 1 . . . . 62 GLU CA . 15865 1 279 . 1 1 62 62 GLU CB C 13 29.922 0.241 . 1 . . . . 62 GLU CB . 15865 1 280 . 1 1 62 62 GLU N N 15 120.672 0.002 . 1 . . . . 62 GLU N . 15865 1 281 . 1 1 63 63 GLY H H 1 8.403 0.01 . 1 . . . . 63 GLY H . 15865 1 282 . 1 1 63 63 GLY C C 13 173.808 0.241 . 1 . . . . 63 GLY C . 15865 1 283 . 1 1 63 63 GLY CA C 13 45.113 0.241 . 1 . . . . 63 GLY CA . 15865 1 284 . 1 1 63 63 GLY N N 15 109.640 0.002 . 1 . . . . 63 GLY N . 15865 1 285 . 1 1 64 64 HIS H H 1 8.251 0.01 . 1 . . . . 64 HIS H . 15865 1 286 . 1 1 64 64 HIS C C 13 174.174 0.241 . 1 . . . . 64 HIS C . 15865 1 287 . 1 1 64 64 HIS CA C 13 55.252 0.241 . 1 . . . . 64 HIS CA . 15865 1 288 . 1 1 64 64 HIS CB C 13 29.188 0.241 . 1 . . . . 64 HIS CB . 15865 1 289 . 1 1 64 64 HIS N N 15 118.059 0.002 . 1 . . . . 64 HIS N . 15865 1 290 . 1 1 65 65 HIS H H 1 8.525 0.01 . 1 . . . . 65 HIS H . 15865 1 291 . 1 1 65 65 HIS C C 13 177.547 0.241 . 1 . . . . 65 HIS C . 15865 1 292 . 1 1 65 65 HIS CA C 13 53.548 0.241 . 1 . . . . 65 HIS CA . 15865 1 293 . 1 1 65 65 HIS CB C 13 28.702 0.241 . 1 . . . . 65 HIS CB . 15865 1 294 . 1 1 65 65 HIS N N 15 120.977 0.002 . 1 . . . . 65 HIS N . 15865 1 295 . 1 1 66 66 PRO C C 13 176.978 0.241 . 1 . . . . 66 PRO C . 15865 1 296 . 1 1 66 66 PRO CA C 13 63.213 0.241 . 1 . . . . 66 PRO CA . 15865 1 297 . 1 1 66 66 PRO CB C 13 32.311 0.241 . 1 . . . . 66 PRO CB . 15865 1 298 . 1 1 67 67 LYS H H 1 8.579 0.01 . 1 . . . . 67 LYS H . 15865 1 299 . 1 1 67 67 LYS C C 13 176.815 0.241 . 1 . . . . 67 LYS C . 15865 1 300 . 1 1 67 67 LYS CA C 13 56.459 0.241 . 1 . . . . 67 LYS CA . 15865 1 301 . 1 1 67 67 LYS CB C 13 32.809 0.241 . 1 . . . . 67 LYS CB . 15865 1 302 . 1 1 67 67 LYS N N 15 122.350 0.002 . 1 . . . . 67 LYS N . 15865 1 303 . 1 1 68 68 SER H H 1 8.291 0.01 . 1 . . . . 68 SER H . 15865 1 304 . 1 1 68 68 SER C C 13 174.377 0.241 . 1 . . . . 68 SER C . 15865 1 305 . 1 1 68 68 SER CA C 13 58.366 0.241 . 1 . . . . 68 SER CA . 15865 1 306 . 1 1 68 68 SER CB C 13 63.941 0.241 . 1 . . . . 68 SER CB . 15865 1 307 . 1 1 68 68 SER N N 15 117.254 0.002 . 1 . . . . 68 SER N . 15865 1 308 . 1 1 69 69 LYS H H 1 8.387 0.01 . 1 . . . . 69 LYS H . 15865 1 309 . 1 1 69 69 LYS C C 13 176.287 0.241 . 1 . . . . 69 LYS C . 15865 1 310 . 1 1 69 69 LYS CA C 13 56.213 0.241 . 1 . . . . 69 LYS CA . 15865 1 311 . 1 1 69 69 LYS CB C 13 33.031 0.241 . 1 . . . . 69 LYS CB . 15865 1 312 . 1 1 69 69 LYS N N 15 123.778 0.002 . 1 . . . . 69 LYS N . 15865 1 313 . 1 1 70 70 ARG H H 1 8.325 0.01 . 1 . . . . 70 ARG H . 15865 1 314 . 1 1 70 70 ARG C C 13 174.215 0.241 . 1 . . . . 70 ARG C . 15865 1 315 . 1 1 70 70 ARG CA C 13 54.032 0.241 . 1 . . . . 70 ARG CA . 15865 1 316 . 1 1 70 70 ARG CB C 13 29.913 0.241 . 1 . . . . 70 ARG CB . 15865 1 317 . 1 1 70 70 ARG N N 15 123.925 0.002 . 1 . . . . 70 ARG N . 15865 1 318 . 1 1 71 71 PRO C C 13 176.328 0.241 . 1 . . . . 71 PRO C . 15865 1 319 . 1 1 71 71 PRO CA C 13 62.976 0.241 . 1 . . . . 71 PRO CA . 15865 1 320 . 1 1 71 71 PRO CB C 13 32.079 0.241 . 1 . . . . 71 PRO CB . 15865 1 321 . 1 1 72 72 ASN H H 1 8.519 0.01 . 1 . . . . 72 ASN H . 15865 1 322 . 1 1 72 72 ASN C C 13 176.325 0.241 . 1 . . . . 72 ASN C . 15865 1 323 . 1 1 72 72 ASN CA C 13 51.153 0.241 . 1 . . . . 72 ASN CA . 15865 1 324 . 1 1 72 72 ASN CB C 13 38.549 0.241 . 1 . . . . 72 ASN CB . 15865 1 325 . 1 1 72 72 ASN N N 15 120.202 0.002 . 1 . . . . 72 ASN N . 15865 1 326 . 1 1 73 73 PRO C C 13 177.058 0.241 . 1 . . . . 73 PRO C . 15865 1 327 . 1 1 73 73 PRO CA C 13 63.468 0.241 . 1 . . . . 73 PRO CA . 15865 1 328 . 1 1 73 73 PRO CB C 13 32.080 0.241 . 1 . . . . 73 PRO CB . 15865 1 329 . 1 1 74 74 SER H H 1 8.241 0.01 . 1 . . . . 74 SER H . 15865 1 330 . 1 1 74 74 SER C C 13 174.295 0.241 . 1 . . . . 74 SER C . 15865 1 331 . 1 1 74 74 SER CA C 13 58.398 0.241 . 1 . . . . 74 SER CA . 15865 1 332 . 1 1 74 74 SER CB C 13 63.700 0.241 . 1 . . . . 74 SER CB . 15865 1 333 . 1 1 74 74 SER N N 15 115.469 0.002 . 1 . . . . 74 SER N . 15865 1 334 . 1 1 75 75 ALA H H 1 8.069 0.01 . 1 . . . . 75 ALA H . 15865 1 335 . 1 1 75 75 ALA C C 13 177.059 0.241 . 1 . . . . 75 ALA C . 15865 1 336 . 1 1 75 75 ALA CA C 13 52.358 0.241 . 1 . . . . 75 ALA CA . 15865 1 337 . 1 1 75 75 ALA CB C 13 19.063 0.241 . 1 . . . . 75 ALA CB . 15865 1 338 . 1 1 75 75 ALA N N 15 125.504 0.002 . 1 . . . . 75 ALA N . 15865 1 339 . 1 1 76 76 TYR H H 1 8.066 0.01 . 1 . . . . 76 TYR H . 15865 1 340 . 1 1 76 76 TYR C C 13 175.231 0.241 . 1 . . . . 76 TYR C . 15865 1 341 . 1 1 76 76 TYR CA C 13 57.909 0.241 . 1 . . . . 76 TYR CA . 15865 1 342 . 1 1 76 76 TYR CB C 13 39.080 0.241 . 1 . . . . 76 TYR CB . 15865 1 343 . 1 1 76 76 TYR N N 15 120.417 0.002 . 1 . . . . 76 TYR N . 15865 1 344 . 1 1 77 77 THR H H 1 7.826 0.01 . 1 . . . . 77 THR H . 15865 1 345 . 1 1 77 77 THR C C 13 176.449 0.241 . 1 . . . . 77 THR C . 15865 1 346 . 1 1 77 77 THR CA C 13 58.882 0.241 . 1 . . . . 77 THR CA . 15865 1 347 . 1 1 77 77 THR CB C 13 70.219 0.241 . 1 . . . . 77 THR CB . 15865 1 348 . 1 1 77 77 THR N N 15 122.142 0.002 . 1 . . . . 77 THR N . 15865 1 349 . 1 1 79 79 PRO C C 13 176.962 0.241 . 1 . . . . 79 PRO C . 15865 1 350 . 1 1 79 79 PRO CA C 13 63.241 0.241 . 1 . . . . 79 PRO CA . 15865 1 351 . 1 1 79 79 PRO CB C 13 31.929 0.241 . 1 . . . . 79 PRO CB . 15865 1 352 . 1 1 80 80 SER H H 1 8.231 0.01 . 1 . . . . 80 SER H . 15865 1 353 . 1 1 80 80 SER C C 13 174.826 0.241 . 1 . . . . 80 SER C . 15865 1 354 . 1 1 80 80 SER CA C 13 58.401 0.241 . 1 . . . . 80 SER CA . 15865 1 355 . 1 1 80 80 SER CB C 13 63.721 0.241 . 1 . . . . 80 SER CB . 15865 1 356 . 1 1 80 80 SER N N 15 115.490 0.002 . 1 . . . . 80 SER N . 15865 1 357 . 1 1 81 81 LEU H H 1 8.183 0.01 . 1 . . . . 81 LEU H . 15865 1 358 . 1 1 81 81 LEU C C 13 177.506 0.241 . 1 . . . . 81 LEU C . 15865 1 359 . 1 1 81 81 LEU CA C 13 55.496 0.241 . 1 . . . . 81 LEU CA . 15865 1 360 . 1 1 81 81 LEU CB C 13 42.218 0.241 . 1 . . . . 81 LEU CB . 15865 1 361 . 1 1 81 81 LEU N N 15 124.396 0.002 . 1 . . . . 81 LEU N . 15865 1 362 . 1 1 82 82 LYS H H 1 8.079 0.01 . 1 . . . . 82 LYS H . 15865 1 363 . 1 1 82 82 LYS C C 13 176.531 0.241 . 1 . . . . 82 LYS C . 15865 1 364 . 1 1 82 82 LYS CA C 13 56.459 0.241 . 1 . . . . 82 LYS CA . 15865 1 365 . 1 1 82 82 LYS CB C 13 32.801 0.241 . 1 . . . . 82 LYS CB . 15865 1 366 . 1 1 82 82 LYS N N 15 121.552 0.002 . 1 . . . . 82 LYS N . 15865 1 367 . 1 1 83 83 ALA H H 1 8.110 0.01 . 1 . . . . 83 ALA H . 15865 1 368 . 1 1 83 83 ALA C C 13 177.994 0.241 . 1 . . . . 83 ALA C . 15865 1 369 . 1 1 83 83 ALA CA C 13 52.595 0.241 . 1 . . . . 83 ALA CA . 15865 1 370 . 1 1 83 83 ALA CB C 13 19.044 0.241 . 1 . . . . 83 ALA CB . 15865 1 371 . 1 1 83 83 ALA N N 15 124.816 0.002 . 1 . . . . 83 ALA N . 15865 1 372 . 1 1 84 84 VAL H H 1 7.974 0.01 . 1 . . . . 84 VAL H . 15865 1 373 . 1 1 84 84 VAL C C 13 176.489 0.241 . 1 . . . . 84 VAL C . 15865 1 374 . 1 1 84 84 VAL CA C 13 62.737 0.241 . 1 . . . . 84 VAL CA . 15865 1 375 . 1 1 84 84 VAL CB C 13 32.563 0.241 . 1 . . . . 84 VAL CB . 15865 1 376 . 1 1 84 84 VAL N N 15 119.334 0.002 . 1 . . . . 84 VAL N . 15865 1 377 . 1 1 85 85 GLN H H 1 8.295 0.01 . 1 . . . . 85 GLN H . 15865 1 378 . 1 1 85 85 GLN C C 13 175.962 0.241 . 1 . . . . 85 GLN C . 15865 1 379 . 1 1 85 85 GLN CA C 13 56.220 0.241 . 1 . . . . 85 GLN CA . 15865 1 380 . 1 1 85 85 GLN CB C 13 29.413 0.241 . 1 . . . . 85 GLN CB . 15865 1 381 . 1 1 85 85 GLN N N 15 123.914 0.002 . 1 . . . . 85 GLN N . 15865 1 382 . 1 1 86 86 ARG H H 1 8.291 0.01 . 1 . . . . 86 ARG H . 15865 1 383 . 1 1 86 86 ARG C C 13 176.532 0.241 . 1 . . . . 86 ARG C . 15865 1 384 . 1 1 86 86 ARG CA C 13 56.456 0.241 . 1 . . . . 86 ARG CA . 15865 1 385 . 1 1 86 86 ARG CB C 13 30.631 0.241 . 1 . . . . 86 ARG CB . 15865 1 386 . 1 1 86 86 ARG N N 15 122.837 0.002 . 1 . . . . 86 ARG N . 15865 1 387 . 1 1 87 87 ILE H H 1 8.124 0.01 . 1 . . . . 87 ILE H . 15865 1 388 . 1 1 87 87 ILE C C 13 176.287 0.241 . 1 . . . . 87 ILE C . 15865 1 389 . 1 1 87 87 ILE CA C 13 61.522 0.241 . 1 . . . . 87 ILE CA . 15865 1 390 . 1 1 87 87 ILE CB C 13 38.598 0.241 . 1 . . . . 87 ILE CB . 15865 1 391 . 1 1 87 87 ILE N N 15 122.593 0.002 . 1 . . . . 87 ILE N . 15865 1 392 . 1 1 88 88 ALA H H 1 8.295 0.01 . 1 . . . . 88 ALA H . 15865 1 393 . 1 1 88 88 ALA C C 13 177.913 0.241 . 1 . . . . 88 ALA C . 15865 1 394 . 1 1 88 88 ALA CA C 13 52.828 0.241 . 1 . . . . 88 ALA CA . 15865 1 395 . 1 1 88 88 ALA CB C 13 19.046 0.241 . 1 . . . . 88 ALA CB . 15865 1 396 . 1 1 88 88 ALA N N 15 127.737 0.002 . 1 . . . . 88 ALA N . 15865 1 397 . 1 1 89 89 GLU H H 1 8.265 0.01 . 1 . . . . 89 GLU H . 15865 1 398 . 1 1 89 89 GLU C C 13 176.662 0.241 . 1 . . . . 89 GLU C . 15865 1 399 . 1 1 89 89 GLU CA C 13 56.702 0.241 . 1 . . . . 89 GLU CA . 15865 1 400 . 1 1 89 89 GLU CB C 13 30.143 0.241 . 1 . . . . 89 GLU CB . 15865 1 401 . 1 1 89 89 GLU N N 15 120.216 0.002 . 1 . . . . 89 GLU N . 15865 1 402 . 1 1 90 90 SER H H 1 8.183 0.01 . 1 . . . . 90 SER H . 15865 1 403 . 1 1 90 90 SER C C 13 174.621 0.241 . 1 . . . . 90 SER C . 15865 1 404 . 1 1 90 90 SER CA C 13 58.632 0.241 . 1 . . . . 90 SER CA . 15865 1 405 . 1 1 90 90 SER CB C 13 63.700 0.241 . 1 . . . . 90 SER CB . 15865 1 406 . 1 1 90 90 SER N N 15 116.454 0.002 . 1 . . . . 90 SER N . 15865 1 407 . 1 1 91 91 HIS H H 1 8.461 0.01 . 1 . . . . 91 HIS H . 15865 1 408 . 1 1 91 91 HIS C C 13 174.460 0.241 . 1 . . . . 91 HIS C . 15865 1 409 . 1 1 91 91 HIS CA C 13 55.726 0.241 . 1 . . . . 91 HIS CA . 15865 1 410 . 1 1 91 91 HIS CB C 13 28.697 0.241 . 1 . . . . 91 HIS CB . 15865 1 411 . 1 1 91 91 HIS N N 15 120.461 0.002 . 1 . . . . 91 HIS N . 15865 1 412 . 1 1 92 92 LEU H H 1 8.125 0.01 . 1 . . . . 92 LEU H . 15865 1 413 . 1 1 92 92 LEU C C 13 177.343 0.241 . 1 . . . . 92 LEU C . 15865 1 414 . 1 1 92 92 LEU CA C 13 55.496 0.241 . 1 . . . . 92 LEU CA . 15865 1 415 . 1 1 92 92 LEU CB C 13 42.215 0.241 . 1 . . . . 92 LEU CB . 15865 1 416 . 1 1 92 92 LEU N N 15 122.609 0.002 . 1 . . . . 92 LEU N . 15865 1 417 . 1 1 93 93 GLN H H 1 8.349 0.01 . 1 . . . . 93 GLN H . 15865 1 418 . 1 1 93 93 GLN C C 13 176.084 0.241 . 1 . . . . 93 GLN C . 15865 1 419 . 1 1 93 93 GLN CA C 13 55.976 0.241 . 1 . . . . 93 GLN CA . 15865 1 420 . 1 1 93 93 GLN CB C 13 29.433 0.241 . 1 . . . . 93 GLN CB . 15865 1 421 . 1 1 93 93 GLN N N 15 121.210 0.002 . 1 . . . . 93 GLN N . 15865 1 422 . 1 1 94 94 THR H H 1 8.129 0.01 . 1 . . . . 94 THR H . 15865 1 423 . 1 1 94 94 THR C C 13 174.541 0.241 . 1 . . . . 94 THR C . 15865 1 424 . 1 1 94 94 THR CA C 13 62.012 0.241 . 1 . . . . 94 THR CA . 15865 1 425 . 1 1 94 94 THR CB C 13 69.742 0.241 . 1 . . . . 94 THR CB . 15865 1 426 . 1 1 94 94 THR N N 15 116.112 0.002 . 1 . . . . 94 THR N . 15865 1 427 . 1 1 95 95 ILE H H 1 8.139 0.01 . 1 . . . . 95 ILE H . 15865 1 428 . 1 1 95 95 ILE C C 13 176.246 0.241 . 1 . . . . 95 ILE C . 15865 1 429 . 1 1 95 95 ILE CA C 13 61.045 0.241 . 1 . . . . 95 ILE CA . 15865 1 430 . 1 1 95 95 ILE CB C 13 38.600 0.241 . 1 . . . . 95 ILE CB . 15865 1 431 . 1 1 95 95 ILE N N 15 123.054 0.002 . 1 . . . . 95 ILE N . 15865 1 432 . 1 1 96 96 SER H H 1 8.307 0.01 . 1 . . . . 96 SER H . 15865 1 433 . 1 1 96 96 SER C C 13 174.215 0.241 . 1 . . . . 96 SER C . 15865 1 434 . 1 1 96 96 SER CA C 13 58.387 0.241 . 1 . . . . 96 SER CA . 15865 1 435 . 1 1 96 96 SER CB C 13 63.711 0.241 . 1 . . . . 96 SER CB . 15865 1 436 . 1 1 96 96 SER N N 15 119.757 0.002 . 1 . . . . 96 SER N . 15865 1 437 . 1 1 97 97 ASN H H 1 8.388 0.01 . 1 . . . . 97 ASN H . 15865 1 438 . 1 1 97 97 ASN C C 13 175.231 0.241 . 1 . . . . 97 ASN C . 15865 1 439 . 1 1 97 97 ASN CA C 13 53.324 0.241 . 1 . . . . 97 ASN CA . 15865 1 440 . 1 1 97 97 ASN CB C 13 38.595 0.241 . 1 . . . . 97 ASN CB . 15865 1 441 . 1 1 97 97 ASN N N 15 121.093 0.002 . 1 . . . . 97 ASN N . 15865 1 442 . 1 1 98 98 LEU H H 1 8.148 0.01 . 1 . . . . 98 LEU H . 15865 1 443 . 1 1 98 98 LEU C C 13 177.668 0.241 . 1 . . . . 98 LEU C . 15865 1 444 . 1 1 98 98 LEU CA C 13 55.496 0.241 . 1 . . . . 98 LEU CA . 15865 1 445 . 1 1 98 98 LEU CB C 13 42.157 0.241 . 1 . . . . 98 LEU CB . 15865 1 446 . 1 1 98 98 LEU N N 15 122.299 0.002 . 1 . . . . 98 LEU N . 15865 1 447 . 1 1 99 99 SER H H 1 8.212 0.01 . 1 . . . . 99 SER H . 15865 1 448 . 1 1 99 99 SER C C 13 174.743 0.241 . 1 . . . . 99 SER C . 15865 1 449 . 1 1 99 99 SER CA C 13 58.631 0.241 . 1 . . . . 99 SER CA . 15865 1 450 . 1 1 99 99 SER CB C 13 63.701 0.241 . 1 . . . . 99 SER CB . 15865 1 451 . 1 1 99 99 SER N N 15 116.249 0.002 . 1 . . . . 99 SER N . 15865 1 452 . 1 1 100 100 GLU H H 1 8.320 0.01 . 1 . . . . 100 GLU H . 15865 1 453 . 1 1 100 100 GLU C C 13 176.328 0.241 . 1 . . . . 100 GLU C . 15865 1 454 . 1 1 100 100 GLU CA C 13 56.711 0.241 . 1 . . . . 100 GLU CA . 15865 1 455 . 1 1 100 100 GLU CB C 13 29.902 0.241 . 1 . . . . 100 GLU CB . 15865 1 456 . 1 1 100 100 GLU N N 15 122.308 0.002 . 1 . . . . 100 GLU N . 15865 1 457 . 1 1 101 101 ASN H H 1 8.315 0.01 . 1 . . . . 101 ASN H . 15865 1 458 . 1 1 101 101 ASN C C 13 175.150 0.241 . 1 . . . . 101 ASN C . 15865 1 459 . 1 1 101 101 ASN CA C 13 53.343 0.241 . 1 . . . . 101 ASN CA . 15865 1 460 . 1 1 101 101 ASN CB C 13 38.833 0.241 . 1 . . . . 101 ASN CB . 15865 1 461 . 1 1 101 101 ASN N N 15 119.128 0.002 . 1 . . . . 101 ASN N . 15865 1 462 . 1 1 102 102 GLN H H 1 8.232 0.01 . 1 . . . . 102 GLN H . 15865 1 463 . 1 1 102 102 GLN C C 13 175.759 0.241 . 1 . . . . 102 GLN C . 15865 1 464 . 1 1 102 102 GLN CA C 13 56.213 0.241 . 1 . . . . 102 GLN CA . 15865 1 465 . 1 1 102 102 GLN CB C 13 29.433 0.241 . 1 . . . . 102 GLN CB . 15865 1 466 . 1 1 102 102 GLN N N 15 120.924 0.002 . 1 . . . . 102 GLN N . 15865 1 467 . 1 1 103 103 ALA H H 1 8.295 0.01 . 1 . . . . 103 ALA H . 15865 1 468 . 1 1 103 103 ALA C C 13 177.872 0.241 . 1 . . . . 103 ALA C . 15865 1 469 . 1 1 103 103 ALA CA C 13 52.600 0.241 . 1 . . . . 103 ALA CA . 15865 1 470 . 1 1 103 103 ALA CB C 13 19.053 0.241 . 1 . . . . 103 ALA CB . 15865 1 471 . 1 1 103 103 ALA N N 15 125.322 0.002 . 1 . . . . 103 ALA N . 15865 1 472 . 1 1 104 104 SER H H 1 8.236 0.01 . 1 . . . . 104 SER H . 15865 1 473 . 1 1 104 104 SER C C 13 174.743 0.241 . 1 . . . . 104 SER C . 15865 1 474 . 1 1 104 104 SER CA C 13 58.387 0.241 . 1 . . . . 104 SER CA . 15865 1 475 . 1 1 104 104 SER CB C 13 63.704 0.241 . 1 . . . . 104 SER CB . 15865 1 476 . 1 1 104 104 SER N N 15 115.406 0.002 . 1 . . . . 104 SER N . 15865 1 477 . 1 1 105 105 GLU H H 1 8.407 0.01 . 1 . . . . 105 GLU H . 15865 1 478 . 1 1 105 105 GLU C C 13 176.571 0.241 . 1 . . . . 105 GLU C . 15865 1 479 . 1 1 105 105 GLU CA C 13 56.699 0.241 . 1 . . . . 105 GLU CA . 15865 1 480 . 1 1 105 105 GLU CB C 13 29.903 0.241 . 1 . . . . 105 GLU CB . 15865 1 481 . 1 1 105 105 GLU N N 15 122.700 0.002 . 1 . . . . 105 GLU N . 15865 1 482 . 1 1 106 106 GLU H H 1 8.300 0.01 . 1 . . . . 106 GLU H . 15865 1 483 . 1 1 106 106 GLU C C 13 176.574 0.241 . 1 . . . . 106 GLU C . 15865 1 484 . 1 1 106 106 GLU CA C 13 56.677 0.241 . 1 . . . . 106 GLU CA . 15865 1 485 . 1 1 106 106 GLU CB C 13 29.906 0.241 . 1 . . . . 106 GLU CB . 15865 1 486 . 1 1 106 106 GLU N N 15 121.076 0.002 . 1 . . . . 106 GLU N . 15865 1 487 . 1 1 107 107 GLU C C 13 176.449 0.241 . 1 . . . . 107 GLU C . 15865 1 488 . 1 1 107 107 GLU CA C 13 56.461 0.241 . 1 . . . . 107 GLU CA . 15865 1 489 . 1 1 107 107 GLU CB C 13 29.917 0.241 . 1 . . . . 107 GLU CB . 15865 1 490 . 1 1 108 108 ASP H H 1 8.324 0.01 . 1 . . . . 108 ASP H . 15865 1 491 . 1 1 108 108 ASP C C 13 176.571 0.241 . 1 . . . . 108 ASP C . 15865 1 492 . 1 1 108 108 ASP CA C 13 54.290 0.241 . 1 . . . . 108 ASP CA . 15865 1 493 . 1 1 108 108 ASP CB C 13 41.013 0.241 . 1 . . . . 108 ASP CB . 15865 1 494 . 1 1 108 108 ASP N N 15 121.458 0.002 . 1 . . . . 108 ASP N . 15865 1 495 . 1 1 109 109 GLU H H 1 8.379 0.01 . 1 . . . . 109 GLU H . 15865 1 496 . 1 1 109 109 GLU C C 13 176.937 0.241 . 1 . . . . 109 GLU C . 15865 1 497 . 1 1 109 109 GLU CA C 13 56.946 0.241 . 1 . . . . 109 GLU CA . 15865 1 498 . 1 1 109 109 GLU CB C 13 29.661 0.241 . 1 . . . . 109 GLU CB . 15865 1 499 . 1 1 109 109 GLU N N 15 121.397 0.002 . 1 . . . . 109 GLU N . 15865 1 500 . 1 1 110 110 LEU H H 1 8.183 0.01 . 1 . . . . 110 LEU H . 15865 1 501 . 1 1 110 110 LEU C C 13 178.359 0.241 . 1 . . . . 110 LEU C . 15865 1 502 . 1 1 110 110 LEU CA C 13 55.735 0.241 . 1 . . . . 110 LEU CA . 15865 1 503 . 1 1 110 110 LEU CB C 13 41.970 0.241 . 1 . . . . 110 LEU CB . 15865 1 504 . 1 1 110 110 LEU N N 15 121.573 0.002 . 1 . . . . 110 LEU N . 15865 1 505 . 1 1 111 111 GLY H H 1 8.202 0.01 . 1 . . . . 111 GLY H . 15865 1 506 . 1 1 111 111 GLY C C 13 174.581 0.241 . 1 . . . . 111 GLY C . 15865 1 507 . 1 1 111 111 GLY CA C 13 45.598 0.241 . 1 . . . . 111 GLY CA . 15865 1 508 . 1 1 111 111 GLY N N 15 108.930 0.002 . 1 . . . . 111 GLY N . 15865 1 509 . 1 1 112 112 GLU H H 1 8.193 0.01 . 1 . . . . 112 GLU H . 15865 1 510 . 1 1 112 112 GLU C C 13 176.815 0.241 . 1 . . . . 112 GLU C . 15865 1 511 . 1 1 112 112 GLU CA C 13 56.702 0.241 . 1 . . . . 112 GLU CA . 15865 1 512 . 1 1 112 112 GLU CB C 13 29.903 0.241 . 1 . . . . 112 GLU CB . 15865 1 513 . 1 1 112 112 GLU N N 15 120.713 0.002 . 1 . . . . 112 GLU N . 15865 1 514 . 1 1 113 113 LEU H H 1 8.169 0.01 . 1 . . . . 113 LEU H . 15865 1 515 . 1 1 113 113 LEU C C 13 177.706 0.241 . 1 . . . . 113 LEU C . 15865 1 516 . 1 1 113 113 LEU CA C 13 55.501 0.241 . 1 . . . . 113 LEU CA . 15865 1 517 . 1 1 113 113 LEU CB C 13 41.736 0.241 . 1 . . . . 113 LEU CB . 15865 1 518 . 1 1 113 113 LEU N N 15 122.251 0.002 . 1 . . . . 113 LEU N . 15865 1 519 . 1 1 114 114 ARG H H 1 8.129 0.01 . 1 . . . . 114 ARG H . 15865 1 520 . 1 1 114 114 ARG C C 13 176.612 0.241 . 1 . . . . 114 ARG C . 15865 1 521 . 1 1 114 114 ARG CA C 13 56.460 0.241 . 1 . . . . 114 ARG CA . 15865 1 522 . 1 1 114 114 ARG CB C 13 30.633 0.241 . 1 . . . . 114 ARG CB . 15865 1 523 . 1 1 114 114 ARG N N 15 121.614 0.002 . 1 . . . . 114 ARG N . 15865 1 524 . 1 1 115 115 GLU H H 1 8.266 0.01 . 1 . . . . 115 GLU H . 15865 1 525 . 1 1 115 115 GLU C C 13 176.572 0.241 . 1 . . . . 115 GLU C . 15865 1 526 . 1 1 115 115 GLU CA C 13 56.583 0.241 . 1 . . . . 115 GLU CA . 15865 1 527 . 1 1 115 115 GLU CB C 13 29.900 0.241 . 1 . . . . 115 GLU CB . 15865 1 528 . 1 1 115 115 GLU N N 15 121.272 0.002 . 1 . . . . 115 GLU N . 15865 1 529 . 1 1 116 116 LEU H H 1 8.106 0.01 . 1 . . . . 116 LEU H . 15865 1 530 . 1 1 116 116 LEU C C 13 177.790 0.241 . 1 . . . . 116 LEU C . 15865 1 531 . 1 1 116 116 LEU CA C 13 55.491 0.241 . 1 . . . . 116 LEU CA . 15865 1 532 . 1 1 116 116 LEU CB C 13 42.220 0.241 . 1 . . . . 116 LEU CB . 15865 1 533 . 1 1 116 116 LEU N N 15 122.428 0.002 . 1 . . . . 116 LEU N . 15865 1 534 . 1 1 117 117 GLY H H 1 8.159 0.01 . 1 . . . . 117 GLY H . 15865 1 535 . 1 1 117 117 GLY C C 13 173.402 0.241 . 1 . . . . 117 GLY C . 15865 1 536 . 1 1 117 117 GLY CA C 13 45.102 0.241 . 1 . . . . 117 GLY CA . 15865 1 537 . 1 1 117 117 GLY N N 15 108.453 0.002 . 1 . . . . 117 GLY N . 15865 1 538 . 1 1 118 118 TYR H H 1 7.846 0.01 . 1 . . . . 118 TYR H . 15865 1 539 . 1 1 118 118 TYR C C 13 173.971 0.241 . 1 . . . . 118 TYR C . 15865 1 540 . 1 1 118 118 TYR CA C 13 55.741 0.241 . 1 . . . . 118 TYR CA . 15865 1 541 . 1 1 118 118 TYR CB C 13 37.883 0.241 . 1 . . . . 118 TYR CB . 15865 1 542 . 1 1 118 118 TYR N N 15 120.774 0.002 . 1 . . . . 118 TYR N . 15865 1 543 . 1 1 119 119 PRO C C 13 176.084 0.241 . 1 . . . . 119 PRO C . 15865 1 544 . 1 1 119 119 PRO CA C 13 63.460 0.241 . 1 . . . . 119 PRO CA . 15865 1 545 . 1 1 119 119 PRO CB C 13 31.846 0.241 . 1 . . . . 119 PRO CB . 15865 1 546 . 1 1 120 120 GLN H H 1 7.968 0.01 . 1 . . . . 120 GLN H . 15865 1 547 . 1 1 120 120 GLN C C 13 175.476 0.241 . 1 . . . . 120 GLN C . 15865 1 548 . 1 1 120 120 GLN CA C 13 57.187 0.241 . 1 . . . . 120 GLN CA . 15865 1 549 . 1 1 120 120 GLN CB C 13 30.628 0.241 . 1 . . . . 120 GLN CB . 15865 1 550 . 1 1 120 120 GLN N N 15 126.008 0.002 . 1 . . . . 120 GLN N . 15865 1 stop_ save_