data_15176 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15176 _Entry.Title ; Intrinsically unstructured proteins provide the specificity for protein phosphatase 1 regulation. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-03-15 _Entry.Accession_date 2007-03-15 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Assignment of backbone and sidechain atoms of 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 . . . 15176 2 Wolfgang Peti . . . 15176 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15176 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 477 15176 '15N chemical shifts' 102 15176 '1H chemical shifts' 689 15176 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 3 . . 2008-07-30 2007-03-15 update author 'relationship loop update' 15176 2 . . 2008-07-15 2007-03-15 update author 'chemical shift table update' 15176 1 . . 2007-10-26 2007-03-15 original author 'original release' 15176 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15865 'Detailed Structural Characterization of Unbound Protein Phosphatase 1 Inhibitors' 15176 BMRB 5906 'dopamine and cAMP-regulated phosphoprotein, Mr. 32000' 15176 stop_ save_ ############### # Citations # ############### save_publication_1 _Citation.Sf_category citations _Citation.Sf_framecode publication_1 _Citation.Entry_ID 15176 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17279777 _Citation.Full_citation . _Citation.Title 'Structural basis for spinophilin-neurabin receptor interaction' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 46 _Citation.Journal_issue 9 _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 2333 _Citation.Page_last 2344 _Citation.Year 2007 _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 Matthew Kelker . S. . 15176 1 2 Barbara Dancheck . . . 15176 1 3 Tingting Ju . . . 15176 1 4 Rene Kessler . P. . 15176 1 5 Jebecka Hudak . . . 15176 1 6 Angus Nairn . C. . 15176 1 7 Wolfgang Peti . . . 15176 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'intrinsically unstructured' 15176 1 PP1 15176 1 signaling 15176 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15176 _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 . . . 15176 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Darpp-32 _Entity.Sf_category entity _Entity.Sf_framecode Darpp-32 _Entity.Entry_ID 15176 _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 'Residues 1 - 2 (G H) are cloning artifacts. Residues 3 - 120 are Darpp-32 residues 1 - 118.' _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 'D5G, 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 15865 . DARPP-32 . . . . . 100.00 120 100.00 100.00 1.55e-78 . . . . 15176 1 2 no GB AAH78954 . "Protein phosphatase 1, regulatory (inhibitor) subunit 1B [Rattus norvegicus]" . . . . . 98.33 205 98.31 98.31 2.85e-74 . . . . 15176 1 3 no GB AAT11858 . "dopamine- and cAMP-regulated phosphoprotein DARPP-32 [Rattus norvegicus]" . . . . . 98.33 205 98.31 98.31 2.85e-74 . . . . 15176 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 . . . . 15176 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 . . . . 15176 1 6 no REF NP_612530 . "protein phosphatase 1 regulatory subunit 1B [Rattus norvegicus]" . . . . . 98.33 205 98.31 98.31 2.85e-74 . . . . 15176 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 . . . . 15176 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'protein phosphatase 1 inhibitor' 15176 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 . 15176 1 2 . HIS . 15176 1 3 . MET . 15176 1 4 . ASP . 15176 1 5 . PRO . 15176 1 6 . LYS . 15176 1 7 . GLY . 15176 1 8 . ARG . 15176 1 9 . LYS . 15176 1 10 . LYS . 15176 1 11 . ILE . 15176 1 12 . GLN . 15176 1 13 . PHE . 15176 1 14 . SER . 15176 1 15 . VAL . 15176 1 16 . PRO . 15176 1 17 . ALA . 15176 1 18 . PRO . 15176 1 19 . PRO . 15176 1 20 . SER . 15176 1 21 . GLN . 15176 1 22 . LEU . 15176 1 23 . ASP . 15176 1 24 . PRO . 15176 1 25 . ARG . 15176 1 26 . GLN . 15176 1 27 . VAL . 15176 1 28 . GLU . 15176 1 29 . MET . 15176 1 30 . ILE . 15176 1 31 . ARG . 15176 1 32 . ARG . 15176 1 33 . ARG . 15176 1 34 . ARG . 15176 1 35 . PRO . 15176 1 36 . THR . 15176 1 37 . PRO . 15176 1 38 . ALA . 15176 1 39 . LEU . 15176 1 40 . LEU . 15176 1 41 . PHE . 15176 1 42 . ARG . 15176 1 43 . VAL . 15176 1 44 . SER . 15176 1 45 . GLU . 15176 1 46 . HIS . 15176 1 47 . SER . 15176 1 48 . SER . 15176 1 49 . PRO . 15176 1 50 . GLU . 15176 1 51 . GLU . 15176 1 52 . GLU . 15176 1 53 . SER . 15176 1 54 . SER . 15176 1 55 . PRO . 15176 1 56 . HIS . 15176 1 57 . GLN . 15176 1 58 . ARG . 15176 1 59 . THR . 15176 1 60 . SER . 15176 1 61 . GLY . 15176 1 62 . GLU . 15176 1 63 . GLY . 15176 1 64 . HIS . 15176 1 65 . HIS . 15176 1 66 . PRO . 15176 1 67 . LYS . 15176 1 68 . SER . 15176 1 69 . LYS . 15176 1 70 . ARG . 15176 1 71 . PRO . 15176 1 72 . ASN . 15176 1 73 . PRO . 15176 1 74 . SER . 15176 1 75 . ALA . 15176 1 76 . TYR . 15176 1 77 . THR . 15176 1 78 . PRO . 15176 1 79 . PRO . 15176 1 80 . SER . 15176 1 81 . LEU . 15176 1 82 . LYS . 15176 1 83 . ALA . 15176 1 84 . VAL . 15176 1 85 . GLN . 15176 1 86 . ARG . 15176 1 87 . ILE . 15176 1 88 . ALA . 15176 1 89 . GLU . 15176 1 90 . SER . 15176 1 91 . HIS . 15176 1 92 . LEU . 15176 1 93 . GLN . 15176 1 94 . THR . 15176 1 95 . ILE . 15176 1 96 . SER . 15176 1 97 . ASN . 15176 1 98 . LEU . 15176 1 99 . SER . 15176 1 100 . GLU . 15176 1 101 . ASN . 15176 1 102 . GLN . 15176 1 103 . ALA . 15176 1 104 . SER . 15176 1 105 . GLU . 15176 1 106 . GLU . 15176 1 107 . GLU . 15176 1 108 . ASP . 15176 1 109 . GLU . 15176 1 110 . LEU . 15176 1 111 . GLY . 15176 1 112 . GLU . 15176 1 113 . LEU . 15176 1 114 . ARG . 15176 1 115 . GLU . 15176 1 116 . LEU . 15176 1 117 . GLY . 15176 1 118 . TYR . 15176 1 119 . PRO . 15176 1 120 . GLN . 15176 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 15176 1 . HIS 2 2 15176 1 . MET 3 3 15176 1 . ASP 4 4 15176 1 . PRO 5 5 15176 1 . LYS 6 6 15176 1 . GLY 7 7 15176 1 . ARG 8 8 15176 1 . LYS 9 9 15176 1 . LYS 10 10 15176 1 . ILE 11 11 15176 1 . GLN 12 12 15176 1 . PHE 13 13 15176 1 . SER 14 14 15176 1 . VAL 15 15 15176 1 . PRO 16 16 15176 1 . ALA 17 17 15176 1 . PRO 18 18 15176 1 . PRO 19 19 15176 1 . SER 20 20 15176 1 . GLN 21 21 15176 1 . LEU 22 22 15176 1 . ASP 23 23 15176 1 . PRO 24 24 15176 1 . ARG 25 25 15176 1 . GLN 26 26 15176 1 . VAL 27 27 15176 1 . GLU 28 28 15176 1 . MET 29 29 15176 1 . ILE 30 30 15176 1 . ARG 31 31 15176 1 . ARG 32 32 15176 1 . ARG 33 33 15176 1 . ARG 34 34 15176 1 . PRO 35 35 15176 1 . THR 36 36 15176 1 . PRO 37 37 15176 1 . ALA 38 38 15176 1 . LEU 39 39 15176 1 . LEU 40 40 15176 1 . PHE 41 41 15176 1 . ARG 42 42 15176 1 . VAL 43 43 15176 1 . SER 44 44 15176 1 . GLU 45 45 15176 1 . HIS 46 46 15176 1 . SER 47 47 15176 1 . SER 48 48 15176 1 . PRO 49 49 15176 1 . GLU 50 50 15176 1 . GLU 51 51 15176 1 . GLU 52 52 15176 1 . SER 53 53 15176 1 . SER 54 54 15176 1 . PRO 55 55 15176 1 . HIS 56 56 15176 1 . GLN 57 57 15176 1 . ARG 58 58 15176 1 . THR 59 59 15176 1 . SER 60 60 15176 1 . GLY 61 61 15176 1 . GLU 62 62 15176 1 . GLY 63 63 15176 1 . HIS 64 64 15176 1 . HIS 65 65 15176 1 . PRO 66 66 15176 1 . LYS 67 67 15176 1 . SER 68 68 15176 1 . LYS 69 69 15176 1 . ARG 70 70 15176 1 . PRO 71 71 15176 1 . ASN 72 72 15176 1 . PRO 73 73 15176 1 . SER 74 74 15176 1 . ALA 75 75 15176 1 . TYR 76 76 15176 1 . THR 77 77 15176 1 . PRO 78 78 15176 1 . PRO 79 79 15176 1 . SER 80 80 15176 1 . LEU 81 81 15176 1 . LYS 82 82 15176 1 . ALA 83 83 15176 1 . VAL 84 84 15176 1 . GLN 85 85 15176 1 . ARG 86 86 15176 1 . ILE 87 87 15176 1 . ALA 88 88 15176 1 . GLU 89 89 15176 1 . SER 90 90 15176 1 . HIS 91 91 15176 1 . LEU 92 92 15176 1 . GLN 93 93 15176 1 . THR 94 94 15176 1 . ILE 95 95 15176 1 . SER 96 96 15176 1 . ASN 97 97 15176 1 . LEU 98 98 15176 1 . SER 99 99 15176 1 . GLU 100 100 15176 1 . ASN 101 101 15176 1 . GLN 102 102 15176 1 . ALA 103 103 15176 1 . SER 104 104 15176 1 . GLU 105 105 15176 1 . GLU 106 106 15176 1 . GLU 107 107 15176 1 . ASP 108 108 15176 1 . GLU 109 109 15176 1 . LEU 110 110 15176 1 . GLY 111 111 15176 1 . GLU 112 112 15176 1 . LEU 113 113 15176 1 . ARG 114 114 15176 1 . GLU 115 115 15176 1 . LEU 116 116 15176 1 . GLY 117 117 15176 1 . TYR 118 118 15176 1 . PRO 119 119 15176 1 . GLN 120 120 15176 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 15176 _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 . . . . . . . . . . . . . . . . . . . . . 15176 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 15176 _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 . . . . . . 15176 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15176 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 . . 750 . . uM . . . . 15176 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 15176 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 15176 1 4 PMSF 'natural abundance' . . . . . . 250 . . uM . . . . 15176 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 15176 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15176 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 . . . . 15176 2 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 15176 2 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 15176 2 4 PMSF 'natural abundance' . . . . . . 250 . . uM . . . . 15176 2 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 15176 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 15176 _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 15176 1 pH 5.5 . pH 15176 1 pressure 1 . atm 15176 1 temperature 298 . K 15176 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 15176 _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' . . 15176 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15176 1 processing 15176 1 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 15176 _Software.ID 2 _Software.Name XEASY _Software.Version 1.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 15176 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15176 2 'data analysis' 15176 2 'peak picking' 15176 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 15176 _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 15176 _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 . . . 15176 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 15176 _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 . . . . . . . . . . . . . . . . 15176 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15176 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15176 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15176 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15176 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15176 1 7 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15176 1 8 '3D 1H-15N TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15176 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15176 1 10 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15176 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 15176 _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 . . . . . . . . . 15176 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15176 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15176 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 15176 _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.23 _Assigned_chem_shift_list.Chem_shift_15N_err 0.02 _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' . . . 15176 1 3 '3D CBCA(CO)NH' . . . 15176 1 6 '3D HBHA(CO)NH' . . . 15176 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $TOPSPIN . . 15176 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 HA H 1 4.588 0.01 . . . . . . 2 HIS HA . 15176 1 2 . 1 1 2 2 HIS HB2 H 1 3.095 0.01 . . . . . . 2 HIS QB . 15176 1 3 . 1 1 2 2 HIS HB3 H 1 3.095 0.01 . . . . . . 2 HIS QB . 15176 1 4 . 1 1 2 2 HIS C C 13 174.460 0.23 . . . . . . 2 HIS C . 15176 1 5 . 1 1 2 2 HIS CA C 13 55.101 0.23 . . . . . . 2 HIS CA . 15176 1 6 . 1 1 2 2 HIS CB C 13 29.360 0.23 . . . . . . 2 HIS CB . 15176 1 7 . 1 1 3 3 MET H H 1 8.517 0.01 . . . . . . 3 MET H . 15176 1 8 . 1 1 3 3 MET HA H 1 4.374 0.01 . . . . . . 3 MET HA . 15176 1 9 . 1 1 3 3 MET HB2 H 1 1.905 0.01 . . . . . . 3 MET HB2 . 15176 1 10 . 1 1 3 3 MET HB3 H 1 1.837 0.01 . . . . . . 3 MET HB3 . 15176 1 11 . 1 1 3 3 MET HG2 H 1 2.369 0.01 . . . . . . 3 MET QG . 15176 1 12 . 1 1 3 3 MET HG3 H 1 2.369 0.01 . . . . . . 3 MET QG . 15176 1 13 . 1 1 3 3 MET C C 13 175.356 0.23 . . . . . . 3 MET C . 15176 1 14 . 1 1 3 3 MET CA C 13 56.014 0.23 . . . . . . 3 MET CA . 15176 1 15 . 1 1 3 3 MET CB C 13 32.890 0.23 . . . . . . 3 MET CB . 15176 1 16 . 1 1 3 3 MET CG C 13 31.865 0.23 . . . . . . 3 MET CG . 15176 1 17 . 1 1 3 3 MET N N 15 122.397 0.02 . . . . . . 3 MET N . 15176 1 18 . 1 1 4 4 ASP H H 1 8.381 0.01 . . . . . . 4 ASP H . 15176 1 19 . 1 1 4 4 ASP HA H 1 4.733 0.01 . . . . . . 4 ASP HA . 15176 1 20 . 1 1 4 4 ASP HB2 H 1 2.617 0.01 . . . . . . 4 ASP HB2 . 15176 1 21 . 1 1 4 4 ASP HB3 H 1 2.486 0.01 . . . . . . 4 ASP HB3 . 15176 1 22 . 1 1 4 4 ASP C C 13 175.356 0.23 . . . . . . 4 ASP C . 15176 1 23 . 1 1 4 4 ASP CA C 13 52.431 0.23 . . . . . . 4 ASP CA . 15176 1 24 . 1 1 4 4 ASP CB C 13 40.916 0.23 . . . . . . 4 ASP CB . 15176 1 25 . 1 1 4 4 ASP N N 15 124.075 0.02 . . . . . . 4 ASP N . 15176 1 26 . 1 1 5 5 PRO HA H 1 4.296 0.01 . . . . . . 5 PRO HA . 15176 1 27 . 1 1 5 5 PRO HB2 H 1 1.853 0.01 . . . . . . 5 PRO HB2 . 15176 1 28 . 1 1 5 5 PRO HB3 H 1 2.208 0.01 . . . . . . 5 PRO HB3 . 15176 1 29 . 1 1 5 5 PRO C C 13 177.369 0.23 . . . . . . 5 PRO C . 15176 1 30 . 1 1 5 5 PRO CA C 13 63.864 0.23 . . . . . . 5 PRO CA . 15176 1 31 . 1 1 5 5 PRO CB C 13 32.418 0.23 . . . . . . 5 PRO CB . 15176 1 32 . 1 1 5 5 PRO CD C 13 50.830 0.23 . . . . . . 5 PRO CD . 15176 1 33 . 1 1 5 5 PRO CG C 13 27.246 0.23 . . . . . . 5 PRO CG . 15176 1 34 . 1 1 6 6 LYS H H 1 8.363 0.01 . . . . . . 6 LYS H . 15176 1 35 . 1 1 6 6 LYS HA H 1 4.160 0.01 . . . . . . 6 LYS HA . 15176 1 36 . 1 1 6 6 LYS HB2 H 1 1.738 0.01 . . . . . . 6 LYS QB . 15176 1 37 . 1 1 6 6 LYS HB3 H 1 1.738 0.01 . . . . . . 6 LYS QB . 15176 1 38 . 1 1 6 6 LYS HD2 H 1 1.611 0.01 . . . . . . 6 LYS QD . 15176 1 39 . 1 1 6 6 LYS HD3 H 1 1.611 0.01 . . . . . . 6 LYS QD . 15176 1 40 . 1 1 6 6 LYS HE2 H 1 2.878 0.01 . . . . . . 6 LYS QE . 15176 1 41 . 1 1 6 6 LYS HE3 H 1 2.878 0.01 . . . . . . 6 LYS QE . 15176 1 42 . 1 1 6 6 LYS HG2 H 1 1.324 0.01 . . . . . . 6 LYS QG . 15176 1 43 . 1 1 6 6 LYS HG3 H 1 1.324 0.01 . . . . . . 6 LYS QG . 15176 1 44 . 1 1 6 6 LYS C C 13 177.455 0.23 . . . . . . 6 LYS C . 15176 1 45 . 1 1 6 6 LYS CA C 13 56.805 0.23 . . . . . . 6 LYS CA . 15176 1 46 . 1 1 6 6 LYS CB C 13 32.110 0.23 . . . . . . 6 LYS CB . 15176 1 47 . 1 1 6 6 LYS CD C 13 29.031 0.23 . . . . . . 6 LYS CD . 15176 1 48 . 1 1 6 6 LYS CE C 13 42.024 0.23 . . . . . . 6 LYS CE . 15176 1 49 . 1 1 6 6 LYS CG C 13 25.029 0.23 . . . . . . 6 LYS CG . 15176 1 50 . 1 1 6 6 LYS N N 15 120.215 0.02 . . . . . . 6 LYS N . 15176 1 51 . 1 1 7 7 GLY H H 1 8.177 0.01 . . . . . . 7 GLY H . 15176 1 52 . 1 1 7 7 GLY HA2 H 1 3.837 0.01 . . . . . . 7 GLY QA . 15176 1 53 . 1 1 7 7 GLY HA3 H 1 3.837 0.01 . . . . . . 7 GLY QA . 15176 1 54 . 1 1 7 7 GLY C C 13 174.174 0.23 . . . . . . 7 GLY C . 15176 1 55 . 1 1 7 7 GLY CA C 13 45.473 0.23 . . . . . . 7 GLY CA . 15176 1 56 . 1 1 7 7 GLY N N 15 109.157 0.02 . . . . . . 7 GLY N . 15176 1 57 . 1 1 8 8 ARG H H 1 8.049 0.01 . . . . . . 8 ARG H . 15176 1 58 . 1 1 8 8 ARG HA H 1 4.207 0.01 . . . . . . 8 ARG HA . 15176 1 59 . 1 1 8 8 ARG HB2 H 1 1.733 0.01 . . . . . . 8 ARG HB2 . 15176 1 60 . 1 1 8 8 ARG HB3 H 1 1.649 0.01 . . . . . . 8 ARG HB3 . 15176 1 61 . 1 1 8 8 ARG HD2 H 1 3.022 0.01 . . . . . . 8 ARG QD . 15176 1 62 . 1 1 8 8 ARG HD3 H 1 3.022 0.01 . . . . . . 8 ARG QD . 15176 1 63 . 1 1 8 8 ARG HG2 H 1 1.520 0.01 . . . . . . 8 ARG QG . 15176 1 64 . 1 1 8 8 ARG HG3 H 1 1.520 0.01 . . . . . . 8 ARG QG . 15176 1 65 . 1 1 8 8 ARG C C 13 176.408 0.23 . . . . . . 8 ARG C . 15176 1 66 . 1 1 8 8 ARG CA C 13 56.125 0.23 . . . . . . 8 ARG CA . 15176 1 67 . 1 1 8 8 ARG CB C 13 30.817 0.23 . . . . . . 8 ARG CB . 15176 1 68 . 1 1 8 8 ARG CD C 13 43.440 0.23 . . . . . . 8 ARG CD . 15176 1 69 . 1 1 8 8 ARG CG C 13 27.061 0.23 . . . . . . 8 ARG CG . 15176 1 70 . 1 1 8 8 ARG N N 15 120.675 0.02 . . . . . . 8 ARG N . 15176 1 71 . 1 1 9 9 LYS H H 1 8.300 0.01 . . . . . . 9 LYS H . 15176 1 72 . 1 1 9 9 LYS HA H 1 4.181 0.01 . . . . . . 9 LYS HA . 15176 1 73 . 1 1 9 9 LYS HB2 H 1 1.665 0.01 . . . . . . 9 LYS QB . 15176 1 74 . 1 1 9 9 LYS HB3 H 1 1.665 0.01 . . . . . . 9 LYS QB . 15176 1 75 . 1 1 9 9 LYS HD2 H 1 1.559 0.01 . . . . . . 9 LYS QD . 15176 1 76 . 1 1 9 9 LYS HD3 H 1 1.559 0.01 . . . . . . 9 LYS QD . 15176 1 77 . 1 1 9 9 LYS HG2 H 1 1.311 0.01 . . . . . . 9 LYS QG . 15176 1 78 . 1 1 9 9 LYS HG3 H 1 1.311 0.01 . . . . . . 9 LYS QG . 15176 1 79 . 1 1 9 9 LYS C C 13 176.446 0.23 . . . . . . 9 LYS C . 15176 1 80 . 1 1 9 9 LYS CA C 13 56.372 0.23 . . . . . . 9 LYS CA . 15176 1 81 . 1 1 9 9 LYS CB C 13 33.072 0.23 . . . . . . 9 LYS CB . 15176 1 82 . 1 1 9 9 LYS CD C 13 29.093 0.23 . . . . . . 9 LYS CD . 15176 1 83 . 1 1 9 9 LYS CE C 13 42.271 0.23 . . . . . . 9 LYS CE . 15176 1 84 . 1 1 9 9 LYS CG C 13 24.967 0.23 . . . . . . 9 LYS CG . 15176 1 85 . 1 1 9 9 LYS N N 15 122.977 0.02 . . . . . . 9 LYS N . 15176 1 86 . 1 1 10 10 LYS H H 1 8.306 0.01 . . . . . . 10 LYS H . 15176 1 87 . 1 1 10 10 LYS HA H 1 4.181 0.01 . . . . . . 10 LYS HA . 15176 1 88 . 1 1 10 10 LYS HB2 H 1 1.639 0.01 . . . . . . 10 LYS QB . 15176 1 89 . 1 1 10 10 LYS HB3 H 1 1.639 0.01 . . . . . . 10 LYS QB . 15176 1 90 . 1 1 10 10 LYS HD2 H 1 1.533 0.01 . . . . . . 10 LYS QD . 15176 1 91 . 1 1 10 10 LYS HD3 H 1 1.533 0.01 . . . . . . 10 LYS QD . 15176 1 92 . 1 1 10 10 LYS HG2 H 1 1.272 0.01 . . . . . . 10 LYS QG . 15176 1 93 . 1 1 10 10 LYS HG3 H 1 1.272 0.01 . . . . . . 10 LYS QG . 15176 1 94 . 1 1 10 10 LYS C C 13 176.403 0.23 . . . . . . 10 LYS C . 15176 1 95 . 1 1 10 10 LYS CA C 13 56.102 0.23 . . . . . . 10 LYS CA . 15176 1 96 . 1 1 10 10 LYS CB C 13 32.972 0.23 . . . . . . 10 LYS CB . 15176 1 97 . 1 1 10 10 LYS CD C 13 29.031 0.23 . . . . . . 10 LYS CD . 15176 1 98 . 1 1 10 10 LYS CE C 13 42.086 0.23 . . . . . . 10 LYS CE . 15176 1 99 . 1 1 10 10 LYS CG C 13 24.967 0.23 . . . . . . 10 LYS CG . 15176 1 100 . 1 1 10 10 LYS N N 15 123.559 0.02 . . . . . . 10 LYS N . 15176 1 101 . 1 1 11 11 ILE H H 1 8.130 0.01 . . . . . . 11 ILE H . 15176 1 102 . 1 1 11 11 ILE HA H 1 3.983 0.01 . . . . . . 11 ILE HA . 15176 1 103 . 1 1 11 11 ILE HB H 1 1.670 0.01 . . . . . . 11 ILE HB . 15176 1 104 . 1 1 11 11 ILE HD11 H 1 0.671 0.01 . . . . . . 11 ILE QD1 . 15176 1 105 . 1 1 11 11 ILE HD12 H 1 0.671 0.01 . . . . . . 11 ILE QD1 . 15176 1 106 . 1 1 11 11 ILE HD13 H 1 0.671 0.01 . . . . . . 11 ILE QD1 . 15176 1 107 . 1 1 11 11 ILE HG12 H 1 1.050 0.01 . . . . . . 11 ILE QG1 . 15176 1 108 . 1 1 11 11 ILE HG13 H 1 1.050 0.01 . . . . . . 11 ILE QG1 . 15176 1 109 . 1 1 11 11 ILE HG21 H 1 0.788 0.01 . . . . . . 11 ILE QG2 . 15176 1 110 . 1 1 11 11 ILE HG22 H 1 0.788 0.01 . . . . . . 11 ILE QG2 . 15176 1 111 . 1 1 11 11 ILE HG23 H 1 0.788 0.01 . . . . . . 11 ILE QG2 . 15176 1 112 . 1 1 11 11 ILE C C 13 175.804 0.23 . . . . . . 11 ILE C . 15176 1 113 . 1 1 11 11 ILE CA C 13 61.421 0.23 . . . . . . 11 ILE CA . 15176 1 114 . 1 1 11 11 ILE CB C 13 38.576 0.23 . . . . . . 11 ILE CB . 15176 1 115 . 1 1 11 11 ILE CD1 C 13 12.713 0.23 . . . . . . 11 ILE CD1 . 15176 1 116 . 1 1 11 11 ILE CG1 C 13 27.246 0.23 . . . . . . 11 ILE CG1 . 15176 1 117 . 1 1 11 11 ILE CG2 C 13 17.516 0.23 . . . . . . 11 ILE CG2 . 15176 1 118 . 1 1 11 11 ILE N N 15 123.056 0.02 . . . . . . 11 ILE N . 15176 1 119 . 1 1 12 12 GLN H H 1 8.318 0.01 . . . . . . 12 GLN H . 15176 1 120 . 1 1 12 12 GLN HA H 1 4.212 0.01 . . . . . . 12 GLN HA . 15176 1 121 . 1 1 12 12 GLN HB2 H 1 1.858 0.01 . . . . . . 12 GLN HB2 . 15176 1 122 . 1 1 12 12 GLN HB3 H 1 1.790 0.01 . . . . . . 12 GLN HB3 . 15176 1 123 . 1 1 12 12 GLN HG2 H 1 2.095 0.01 . . . . . . 12 GLN QG . 15176 1 124 . 1 1 12 12 GLN HG3 H 1 2.095 0.01 . . . . . . 12 GLN QG . 15176 1 125 . 1 1 12 12 GLN C C 13 175.183 0.23 . . . . . . 12 GLN C . 15176 1 126 . 1 1 12 12 GLN CA C 13 55.448 0.23 . . . . . . 12 GLN CA . 15176 1 127 . 1 1 12 12 GLN CB C 13 29.647 0.23 . . . . . . 12 GLN CB . 15176 1 128 . 1 1 12 12 GLN CG C 13 33.526 0.23 . . . . . . 12 GLN CG . 15176 1 129 . 1 1 12 12 GLN N N 15 124.925 0.02 . . . . . . 12 GLN N . 15176 1 130 . 1 1 13 13 PHE H H 1 8.237 0.01 . . . . . . 13 PHE H . 15176 1 131 . 1 1 13 13 PHE HA H 1 4.562 0.01 . . . . . . 13 PHE HA . 15176 1 132 . 1 1 13 13 PHE HB2 H 1 3.038 0.01 . . . . . . 13 PHE HB2 . 15176 1 133 . 1 1 13 13 PHE HB3 H 1 2.897 0.01 . . . . . . 13 PHE HB3 . 15176 1 134 . 1 1 13 13 PHE C C 13 175.394 0.23 . . . . . . 13 PHE C . 15176 1 135 . 1 1 13 13 PHE CA C 13 57.480 0.23 . . . . . . 13 PHE CA . 15176 1 136 . 1 1 13 13 PHE CB C 13 39.869 0.23 . . . . . . 13 PHE CB . 15176 1 137 . 1 1 13 13 PHE N N 15 122.251 0.02 . . . . . . 13 PHE N . 15176 1 138 . 1 1 14 14 SER H H 1 8.170 0.01 . . . . . . 14 SER H . 15176 1 139 . 1 1 14 14 SER HA H 1 4.353 0.01 . . . . . . 14 SER HA . 15176 1 140 . 1 1 14 14 SER HB2 H 1 3.675 0.01 . . . . . . 14 SER QB . 15176 1 141 . 1 1 14 14 SER HB3 H 1 3.675 0.01 . . . . . . 14 SER QB . 15176 1 142 . 1 1 14 14 SER C C 13 173.569 0.23 . . . . . . 14 SER C . 15176 1 143 . 1 1 14 14 SER CA C 13 57.738 0.23 . . . . . . 14 SER CA . 15176 1 144 . 1 1 14 14 SER CB C 13 63.884 0.23 . . . . . . 14 SER CB . 15176 1 145 . 1 1 14 14 SER N N 15 118.024 0.02 . . . . . . 14 SER N . 15176 1 146 . 1 1 15 15 VAL H H 1 8.130 0.01 . . . . . . 15 VAL H . 15176 1 147 . 1 1 15 15 VAL HA H 1 4.002 0.01 . . . . . . 15 VAL HA . 15176 1 148 . 1 1 15 15 VAL HB H 1 1.951 0.01 . . . . . . 15 VAL HB . 15176 1 149 . 1 1 15 15 VAL HG11 H 1 0.828 0.01 . . . . . . 15 VAL QG1 . 15176 1 150 . 1 1 15 15 VAL HG12 H 1 0.828 0.01 . . . . . . 15 VAL QG1 . 15176 1 151 . 1 1 15 15 VAL HG13 H 1 0.828 0.01 . . . . . . 15 VAL QG1 . 15176 1 152 . 1 1 15 15 VAL HG21 H 1 0.684 0.01 . . . . . . 15 VAL QG2 . 15176 1 153 . 1 1 15 15 VAL HG22 H 1 0.684 0.01 . . . . . . 15 VAL QG2 . 15176 1 154 . 1 1 15 15 VAL HG23 H 1 0.684 0.01 . . . . . . 15 VAL QG2 . 15176 1 155 . 1 1 15 15 VAL C C 13 175.798 0.23 . . . . . . 15 VAL C . 15176 1 156 . 1 1 15 15 VAL CA C 13 61.298 0.23 . . . . . . 15 VAL CA . 15176 1 157 . 1 1 15 15 VAL CB C 13 32.726 0.23 . . . . . . 15 VAL CB . 15176 1 158 . 1 1 15 15 VAL N N 15 123.225 0.02 . . . . . . 15 VAL N . 15176 1 159 . 1 1 16 16 PRO HA H 1 4.270 0.01 . . . . . . 16 PRO HA . 15176 1 160 . 1 1 16 16 PRO HB2 H 1 2.161 0.01 . . . . . . 16 PRO HB2 . 15176 1 161 . 1 1 16 16 PRO HB3 H 1 1.769 0.01 . . . . . . 16 PRO HB3 . 15176 1 162 . 1 1 16 16 PRO C C 13 176.122 0.23 . . . . . . 16 PRO C . 15176 1 163 . 1 1 16 16 PRO CA C 13 63.022 0.23 . . . . . . 16 PRO CA . 15176 1 164 . 1 1 16 16 PRO CB C 13 32.049 0.23 . . . . . . 16 PRO CB . 15176 1 165 . 1 1 16 16 PRO CD C 13 50.953 0.23 . . . . . . 16 PRO CD . 15176 1 166 . 1 1 16 16 PRO CG C 13 27.492 0.23 . . . . . . 16 PRO CG . 15176 1 167 . 1 1 17 17 ALA H H 1 8.282 0.01 . . . . . . 17 ALA H . 15176 1 168 . 1 1 17 17 ALA HA H 1 4.433 0.01 . . . . . . 17 ALA HA . 15176 1 169 . 1 1 17 17 ALA HB1 H 1 1.219 0.01 . . . . . . 17 ALA QB . 15176 1 170 . 1 1 17 17 ALA HB2 H 1 1.219 0.01 . . . . . . 17 ALA QB . 15176 1 171 . 1 1 17 17 ALA HB3 H 1 1.219 0.01 . . . . . . 17 ALA QB . 15176 1 172 . 1 1 17 17 ALA C C 13 175.070 0.23 . . . . . . 17 ALA C . 15176 1 173 . 1 1 17 17 ALA CA C 13 50.337 0.23 . . . . . . 17 ALA CA . 15176 1 174 . 1 1 17 17 ALA CB C 13 17.824 0.23 . . . . . . 17 ALA CB . 15176 1 175 . 1 1 17 17 ALA N N 15 125.837 0.02 . . . . . . 17 ALA N . 15176 1 176 . 1 1 18 18 PRO HA H 1 4.327 0.01 . . . . . . 19 PRO HA . 15176 1 177 . 1 1 18 18 PRO HB2 H 1 2.218 0.01 . . . . . . 19 PRO HB2 . 15176 1 178 . 1 1 18 18 PRO HB3 H 1 1.827 0.01 . . . . . . 19 PRO HB3 . 15176 1 179 . 1 1 18 18 PRO C C 13 177.061 0.23 . . . . . . 19 PRO C . 15176 1 180 . 1 1 18 18 PRO CA C 13 63.012 0.23 . . . . . . 19 PRO CA . 15176 1 181 . 1 1 18 18 PRO CB C 13 31.916 0.23 . . . . . . 19 PRO CB . 15176 1 182 . 1 1 18 18 PRO CD C 13 50.337 0.23 . . . . . . 19 PRO CD . 15176 1 183 . 1 1 18 18 PRO CG C 13 27.492 0.23 . . . . . . 19 PRO CG . 15176 1 184 . 1 1 20 20 SER H H 1 8.305 0.01 . . . . . . 20 SER H . 15176 1 185 . 1 1 20 20 SER HA H 1 4.280 0.01 . . . . . . 20 SER HA . 15176 1 186 . 1 1 20 20 SER HB2 H 1 3.774 0.01 . . . . . . 20 SER QB . 15176 1 187 . 1 1 20 20 SER HB3 H 1 3.774 0.01 . . . . . . 20 SER QB . 15176 1 188 . 1 1 20 20 SER C C 13 174.632 0.23 . . . . . . 20 SER C . 15176 1 189 . 1 1 20 20 SER CA C 13 58.448 0.23 . . . . . . 20 SER CA . 15176 1 190 . 1 1 20 20 SER CB C 13 63.742 0.23 . . . . . . 20 SER CB . 15176 1 191 . 1 1 20 20 SER N N 15 115.852 0.02 . . . . . . 20 SER N . 15176 1 192 . 1 1 21 21 GLN H H 1 8.342 0.01 . . . . . . 21 GLN H . 15176 1 193 . 1 1 21 21 GLN HA H 1 4.238 0.01 . . . . . . 21 GLN HA . 15176 1 194 . 1 1 21 21 GLN HB2 H 1 2.020 0.01 . . . . . . 21 GLN QB . 15176 1 195 . 1 1 21 21 GLN HB3 H 1 2.020 0.01 . . . . . . 21 GLN QB . 15176 1 196 . 1 1 21 21 GLN HG2 H 1 2.199 0.01 . . . . . . 21 GLN QG . 15176 1 197 . 1 1 21 21 GLN HG3 H 1 2.199 0.01 . . . . . . 21 GLN QG . 15176 1 198 . 1 1 21 21 GLN C C 13 175.555 0.23 . . . . . . 21 GLN C . 15176 1 199 . 1 1 21 21 GLN CA C 13 55.588 0.23 . . . . . . 21 GLN CA . 15176 1 200 . 1 1 21 21 GLN CB C 13 29.543 0.23 . . . . . . 21 GLN CB . 15176 1 201 . 1 1 21 21 GLN CG C 13 33.711 0.23 . . . . . . 21 GLN CG . 15176 1 202 . 1 1 21 21 GLN N N 15 122.169 0.02 . . . . . . 21 GLN N . 15176 1 203 . 1 1 22 22 LEU H H 1 8.095 0.01 . . . . . . 22 LEU H . 15176 1 204 . 1 1 22 22 LEU HA H 1 4.233 0.01 . . . . . . 22 LEU HA . 15176 1 205 . 1 1 22 22 LEU HB2 H 1 1.467 0.01 . . . . . . 22 LEU HB2 . 15176 1 206 . 1 1 22 22 LEU HB3 H 1 1.388 0.01 . . . . . . 22 LEU HB3 . 15176 1 207 . 1 1 22 22 LEU HD11 H 1 0.684 0.01 . . . . . . 22 LEU QQD . 15176 1 208 . 1 1 22 22 LEU HD12 H 1 0.684 0.01 . . . . . . 22 LEU QQD . 15176 1 209 . 1 1 22 22 LEU HD13 H 1 0.684 0.01 . . . . . . 22 LEU QQD . 15176 1 210 . 1 1 22 22 LEU HD21 H 1 0.684 0.01 . . . . . . 22 LEU QQD . 15176 1 211 . 1 1 22 22 LEU HD22 H 1 0.684 0.01 . . . . . . 22 LEU QQD . 15176 1 212 . 1 1 22 22 LEU HD23 H 1 0.684 0.01 . . . . . . 22 LEU QQD . 15176 1 213 . 1 1 22 22 LEU HG H 1 1.324 0.01 . . . . . . 22 LEU HG . 15176 1 214 . 1 1 22 22 LEU C C 13 176.613 0.23 . . . . . . 22 LEU C . 15176 1 215 . 1 1 22 22 LEU CA C 13 54.771 0.23 . . . . . . 22 LEU CA . 15176 1 216 . 1 1 22 22 LEU CB C 13 42.455 0.23 . . . . . . 22 LEU CB . 15176 1 217 . 1 1 22 22 LEU CD1 C 13 24.967 0.23 . . . . . . 22 LEU CD1 . 15176 1 218 . 1 1 22 22 LEU CD2 C 13 23.551 0.23 . . . . . . 22 LEU CD2 . 15176 1 219 . 1 1 22 22 LEU CG C 13 26.999 0.23 . . . . . . 22 LEU CG . 15176 1 220 . 1 1 22 22 LEU N N 15 123.031 0.02 . . . . . . 22 LEU N . 15176 1 221 . 1 1 23 23 ASP H H 1 8.328 0.01 . . . . . . 23 ASP H . 15176 1 222 . 1 1 23 23 ASP HA H 1 4.485 0.01 . . . . . . 23 ASP HA . 15176 1 223 . 1 1 23 23 ASP HB2 H 1 2.630 0.01 . . . . . . 23 ASP QB . 15176 1 224 . 1 1 23 23 ASP HB3 H 1 2.630 0.01 . . . . . . 23 ASP QB . 15176 1 225 . 1 1 23 23 ASP C C 13 175.145 0.23 . . . . . . 23 ASP C . 15176 1 226 . 1 1 23 23 ASP CA C 13 51.753 0.23 . . . . . . 23 ASP CA . 15176 1 227 . 1 1 23 23 ASP CB C 13 41.408 0.23 . . . . . . 23 ASP CB . 15176 1 228 . 1 1 23 23 ASP N N 15 123.600 0.02 . . . . . . 23 ASP N . 15176 1 229 . 1 1 24 24 PRO HA H 1 4.233 0.01 . . . . . . 24 PRO HA . 15176 1 230 . 1 1 24 24 PRO HB2 H 1 2.250 0.01 . . . . . . 24 PRO HB2 . 15176 1 231 . 1 1 24 24 PRO HB3 H 1 1.879 0.01 . . . . . . 24 PRO HB3 . 15176 1 232 . 1 1 24 24 PRO C C 13 178.157 0.23 . . . . . . 24 PRO C . 15176 1 233 . 1 1 24 24 PRO CA C 13 64.229 0.23 . . . . . . 24 PRO CA . 15176 1 234 . 1 1 24 24 PRO CB C 13 32.099 0.23 . . . . . . 24 PRO CB . 15176 1 235 . 1 1 24 24 PRO CD C 13 51.024 0.23 . . . . . . 24 PRO CD . 15176 1 236 . 1 1 24 24 PRO CG C 13 27.413 0.23 . . . . . . 24 PRO CG . 15176 1 237 . 1 1 25 25 ARG H H 1 8.353 0.01 . . . . . . 25 ARG H . 15176 1 238 . 1 1 25 25 ARG HA H 1 4.082 0.01 . . . . . . 25 ARG HA . 15176 1 239 . 1 1 25 25 ARG HB2 H 1 1.769 0.01 . . . . . . 25 ARG QB . 15176 1 240 . 1 1 25 25 ARG HB3 H 1 1.769 0.01 . . . . . . 25 ARG QB . 15176 1 241 . 1 1 25 25 ARG HD2 H 1 3.100 0.01 . . . . . . 25 ARG QD . 15176 1 242 . 1 1 25 25 ARG HD3 H 1 3.100 0.01 . . . . . . 25 ARG QD . 15176 1 243 . 1 1 25 25 ARG HG2 H 1 1.559 0.01 . . . . . . 25 ARG QG . 15176 1 244 . 1 1 25 25 ARG HG3 H 1 1.559 0.01 . . . . . . 25 ARG QG . 15176 1 245 . 1 1 25 25 ARG C C 13 177.947 0.23 . . . . . . 25 ARG C . 15176 1 246 . 1 1 25 25 ARG CA C 13 57.535 0.23 . . . . . . 25 ARG CA . 15176 1 247 . 1 1 25 25 ARG CB C 13 30.030 0.23 . . . . . . 25 ARG CB . 15176 1 248 . 1 1 25 25 ARG CD C 13 43.256 0.23 . . . . . . 25 ARG CD . 15176 1 249 . 1 1 25 25 ARG CG C 13 27.246 0.23 . . . . . . 25 ARG CG . 15176 1 250 . 1 1 25 25 ARG N N 15 118.584 0.02 . . . . . . 25 ARG N . 15176 1 251 . 1 1 26 26 GLN H H 1 7.948 0.01 . . . . . . 26 GLN H . 15176 1 252 . 1 1 26 26 GLN HA H 1 4.145 0.01 . . . . . . 26 GLN HA . 15176 1 253 . 1 1 26 26 GLN HB2 H 1 2.051 0.01 . . . . . . 26 GLN QB . 15176 1 254 . 1 1 26 26 GLN HB3 H 1 2.051 0.01 . . . . . . 26 GLN QB . 15176 1 255 . 1 1 26 26 GLN HG2 H 1 2.473 0.01 . . . . . . 26 GLN QG . 15176 1 256 . 1 1 26 26 GLN HG3 H 1 2.473 0.01 . . . . . . 26 GLN QG . 15176 1 257 . 1 1 26 26 GLN C C 13 177.094 0.23 . . . . . . 26 GLN C . 15176 1 258 . 1 1 26 26 GLN CA C 13 57.292 0.23 . . . . . . 26 GLN CA . 15176 1 259 . 1 1 26 26 GLN CB C 13 28.995 0.23 . . . . . . 26 GLN CB . 15176 1 260 . 1 1 26 26 GLN CG C 13 33.896 0.23 . . . . . . 26 GLN CG . 15176 1 261 . 1 1 26 26 GLN N N 15 119.765 0.02 . . . . . . 26 GLN N . 15176 1 262 . 1 1 27 27 VAL H H 1 7.848 0.01 . . . . . . 27 VAL H . 15176 1 263 . 1 1 27 27 VAL HA H 1 3.737 0.01 . . . . . . 27 VAL HA . 15176 1 264 . 1 1 27 27 VAL HB H 1 1.989 0.01 . . . . . . 27 VAL HB . 15176 1 265 . 1 1 27 27 VAL HG11 H 1 0.828 0.01 . . . . . . 27 VAL QQG . 15176 1 266 . 1 1 27 27 VAL HG12 H 1 0.828 0.01 . . . . . . 27 VAL QQG . 15176 1 267 . 1 1 27 27 VAL HG13 H 1 0.828 0.01 . . . . . . 27 VAL QQG . 15176 1 268 . 1 1 27 27 VAL HG21 H 1 0.828 0.01 . . . . . . 27 VAL QQG . 15176 1 269 . 1 1 27 27 VAL HG22 H 1 0.828 0.01 . . . . . . 27 VAL QQG . 15176 1 270 . 1 1 27 27 VAL HG23 H 1 0.828 0.01 . . . . . . 27 VAL QQG . 15176 1 271 . 1 1 27 27 VAL C C 13 177.137 0.23 . . . . . . 27 VAL C . 15176 1 272 . 1 1 27 27 VAL CA C 13 64.229 0.23 . . . . . . 27 VAL CA . 15176 1 273 . 1 1 27 27 VAL CB C 13 32.342 0.23 . . . . . . 27 VAL CB . 15176 1 274 . 1 1 27 27 VAL CG1 C 13 21.496 0.23 . . . . . . 27 VAL CG1 . 15176 1 275 . 1 1 27 27 VAL CG2 C 13 21.668 0.23 . . . . . . 27 VAL CG2 . 15176 1 276 . 1 1 27 27 VAL N N 15 120.116 0.02 . . . . . . 27 VAL N . 15176 1 277 . 1 1 28 28 GLU H H 1 8.071 0.01 . . . . . . 28 GLU H . 15176 1 278 . 1 1 28 28 GLU HA H 1 4.082 0.01 . . . . . . 28 GLU HA . 15176 1 279 . 1 1 28 28 GLU HB2 H 1 1.929 0.01 . . . . . . 28 GLU HB2 . 15176 1 280 . 1 1 28 28 GLU HB3 H 1 1.922 0.01 . . . . . . 28 GLU HB3 . 15176 1 281 . 1 1 28 28 GLU HG2 H 1 2.186 0.01 . . . . . . 28 GLU QG . 15176 1 282 . 1 1 28 28 GLU HG3 H 1 2.186 0.01 . . . . . . 28 GLU QG . 15176 1 283 . 1 1 28 28 GLU C C 13 177.261 0.23 . . . . . . 28 GLU C . 15176 1 284 . 1 1 28 28 GLU CA C 13 57.535 0.23 . . . . . . 28 GLU CA . 15176 1 285 . 1 1 28 28 GLU CB C 13 29.604 0.23 . . . . . . 28 GLU CB . 15176 1 286 . 1 1 28 28 GLU CG C 13 35.990 0.23 . . . . . . 28 GLU CG . 15176 1 287 . 1 1 28 28 GLU N N 15 121.732 0.02 . . . . . . 28 GLU N . 15176 1 288 . 1 1 29 29 MET H H 1 7.961 0.01 . . . . . . 29 MET H . 15176 1 289 . 1 1 29 29 MET HA H 1 4.197 0.01 . . . . . . 29 MET HA . 15176 1 290 . 1 1 29 29 MET HB2 H 1 2.004 0.01 . . . . . . 29 MET QB . 15176 1 291 . 1 1 29 29 MET HB3 H 1 2.004 0.01 . . . . . . 29 MET QB . 15176 1 292 . 1 1 29 29 MET HG2 H 1 2.291 0.01 . . . . . . 29 MET QG . 15176 1 293 . 1 1 29 29 MET HG3 H 1 2.291 0.01 . . . . . . 29 MET QG . 15176 1 294 . 1 1 29 29 MET C C 13 177.385 0.23 . . . . . . 29 MET C . 15176 1 295 . 1 1 29 29 MET CA C 13 57.145 0.23 . . . . . . 29 MET CA . 15176 1 296 . 1 1 29 29 MET CB C 13 33.157 0.23 . . . . . . 29 MET CB . 15176 1 297 . 1 1 29 29 MET CG C 13 31.987 0.23 . . . . . . 29 MET CG . 15176 1 298 . 1 1 29 29 MET N N 15 119.889 0.02 . . . . . . 29 MET N . 15176 1 299 . 1 1 30 30 ILE H H 1 7.913 0.01 . . . . . . 30 ILE H . 15176 1 300 . 1 1 30 30 ILE HA H 1 4.244 0.01 . . . . . . 30 ILE HA . 15176 1 301 . 1 1 30 30 ILE HB H 1 1.837 0.01 . . . . . . 30 ILE HB . 15176 1 302 . 1 1 30 30 ILE HD11 H 1 0.723 0.01 . . . . . . 30 ILE QD1 . 15176 1 303 . 1 1 30 30 ILE HD12 H 1 0.723 0.01 . . . . . . 30 ILE QD1 . 15176 1 304 . 1 1 30 30 ILE HD13 H 1 0.723 0.01 . . . . . . 30 ILE QD1 . 15176 1 305 . 1 1 30 30 ILE HG12 H 1 1.063 0.01 . . . . . . 30 ILE QG1 . 15176 1 306 . 1 1 30 30 ILE HG13 H 1 1.063 0.01 . . . . . . 30 ILE QG1 . 15176 1 307 . 1 1 30 30 ILE HG21 H 1 0.775 0.01 . . . . . . 30 ILE QG2 . 15176 1 308 . 1 1 30 30 ILE HG22 H 1 0.775 0.01 . . . . . . 30 ILE QG2 . 15176 1 309 . 1 1 30 30 ILE HG23 H 1 0.775 0.01 . . . . . . 30 ILE QG2 . 15176 1 310 . 1 1 30 30 ILE C C 13 177.137 0.23 . . . . . . 30 ILE C . 15176 1 311 . 1 1 30 30 ILE CA C 13 62.530 0.23 . . . . . . 30 ILE CA . 15176 1 312 . 1 1 30 30 ILE CB C 13 38.206 0.23 . . . . . . 30 ILE CB . 15176 1 313 . 1 1 30 30 ILE CD1 C 13 12.960 0.23 . . . . . . 30 ILE CD1 . 15176 1 314 . 1 1 30 30 ILE CG1 C 13 28.108 0.23 . . . . . . 30 ILE CG1 . 15176 1 315 . 1 1 30 30 ILE CG2 C 13 17.393 0.23 . . . . . . 30 ILE CG2 . 15176 1 316 . 1 1 30 30 ILE N N 15 120.780 0.02 . . . . . . 30 ILE N . 15176 1 317 . 1 1 31 31 ARG H H 1 8.089 0.01 . . . . . . 31 ARG H . 15176 1 318 . 1 1 31 31 ARG HA H 1 4.176 0.01 . . . . . . 31 ARG HA . 15176 1 319 . 1 1 31 31 ARG HB2 H 1 1.759 0.01 . . . . . . 31 ARG HB2 . 15176 1 320 . 1 1 31 31 ARG HB3 H 1 1.717 0.01 . . . . . . 31 ARG HB3 . 15176 1 321 . 1 1 31 31 ARG HD2 H 1 3.048 0.01 . . . . . . 31 ARG QD . 15176 1 322 . 1 1 31 31 ARG HD3 H 1 3.048 0.01 . . . . . . 31 ARG QD . 15176 1 323 . 1 1 31 31 ARG HG2 H 1 1.441 0.01 . . . . . . 31 ARG QG . 15176 1 324 . 1 1 31 31 ARG HG3 H 1 1.441 0.01 . . . . . . 31 ARG QG . 15176 1 325 . 1 1 31 31 ARG C C 13 176.819 0.23 . . . . . . 31 ARG C . 15176 1 326 . 1 1 31 31 ARG CA C 13 57.336 0.23 . . . . . . 31 ARG CA . 15176 1 327 . 1 1 31 31 ARG CB C 13 30.882 0.23 . . . . . . 31 ARG CB . 15176 1 328 . 1 1 31 31 ARG CD C 13 43.194 0.23 . . . . . . 31 ARG CD . 15176 1 329 . 1 1 31 31 ARG CG C 13 27.246 0.23 . . . . . . 31 ARG CG . 15176 1 330 . 1 1 31 31 ARG N N 15 122.955 0.02 . . . . . . 31 ARG N . 15176 1 331 . 1 1 32 32 ARG H H 1 8.001 0.01 . . . . . . 32 ARG H . 15176 1 332 . 1 1 32 32 ARG HA H 1 4.171 0.01 . . . . . . 32 ARG HA . 15176 1 333 . 1 1 32 32 ARG HB2 H 1 1.780 0.01 . . . . . . 32 ARG HB2 . 15176 1 334 . 1 1 32 32 ARG HB3 H 1 1.696 0.01 . . . . . . 32 ARG HB3 . 15176 1 335 . 1 1 32 32 ARG HD2 H 1 2.917 0.01 . . . . . . 32 ARG QD . 15176 1 336 . 1 1 32 32 ARG HD3 H 1 2.917 0.01 . . . . . . 32 ARG QD . 15176 1 337 . 1 1 32 32 ARG HG2 H 1 1.546 0.01 . . . . . . 32 ARG QG . 15176 1 338 . 1 1 32 32 ARG HG3 H 1 1.546 0.01 . . . . . . 32 ARG QG . 15176 1 339 . 1 1 32 32 ARG C C 13 176.327 0.23 . . . . . . 32 ARG C . 15176 1 340 . 1 1 32 32 ARG CA C 13 56.562 0.23 . . . . . . 32 ARG CA . 15176 1 341 . 1 1 32 32 ARG CB C 13 30.694 0.23 . . . . . . 32 ARG CB . 15176 1 342 . 1 1 32 32 ARG CD C 13 43.440 0.23 . . . . . . 32 ARG CD . 15176 1 343 . 1 1 32 32 ARG CG C 13 27.492 0.23 . . . . . . 32 ARG CG . 15176 1 344 . 1 1 32 32 ARG N N 15 120.304 0.02 . . . . . . 32 ARG N . 15176 1 345 . 1 1 33 33 ARG H H 1 8.049 0.01 . . . . . . 33 ARG H . 15176 1 346 . 1 1 33 33 ARG HA H 1 4.254 0.01 . . . . . . 33 ARG HA . 15176 1 347 . 1 1 33 33 ARG HB2 H 1 1.775 0.01 . . . . . . 33 ARG HB2 . 15176 1 348 . 1 1 33 33 ARG HB3 H 1 1.696 0.01 . . . . . . 33 ARG HB3 . 15176 1 349 . 1 1 33 33 ARG HG2 H 1 1.507 0.01 . . . . . . 33 ARG QG . 15176 1 350 . 1 1 33 33 ARG HG3 H 1 1.507 0.01 . . . . . . 33 ARG QG . 15176 1 351 . 1 1 33 33 ARG C C 13 176.047 0.23 . . . . . . 33 ARG C . 15176 1 352 . 1 1 33 33 ARG CA C 13 56.318 0.23 . . . . . . 33 ARG CA . 15176 1 353 . 1 1 33 33 ARG CB C 13 30.760 0.23 . . . . . . 33 ARG CB . 15176 1 354 . 1 1 33 33 ARG CD C 13 43.440 0.23 . . . . . . 33 ARG CD . 15176 1 355 . 1 1 33 33 ARG CG C 13 27.246 0.23 . . . . . . 33 ARG CG . 15176 1 356 . 1 1 33 33 ARG N N 15 121.525 0.02 . . . . . . 33 ARG N . 15176 1 357 . 1 1 34 34 ARG H H 1 8.257 0.01 . . . . . . 34 ARG H . 15176 1 358 . 1 1 34 34 ARG HA H 1 4.485 0.01 . . . . . . 34 ARG HA . 15176 1 359 . 1 1 34 34 ARG HB2 H 1 1.654 0.01 . . . . . . 34 ARG QB . 15176 1 360 . 1 1 34 34 ARG HB3 H 1 1.654 0.01 . . . . . . 34 ARG QB . 15176 1 361 . 1 1 34 34 ARG HD2 H 1 3.113 0.01 . . . . . . 34 ARG QD . 15176 1 362 . 1 1 34 34 ARG HD3 H 1 3.113 0.01 . . . . . . 34 ARG QD . 15176 1 363 . 1 1 34 34 ARG HG2 H 1 1.637 0.01 . . . . . . 34 ARG QG . 15176 1 364 . 1 1 34 34 ARG HG3 H 1 1.637 0.01 . . . . . . 34 ARG QG . 15176 1 365 . 1 1 34 34 ARG C C 13 174.152 0.23 . . . . . . 34 ARG C . 15176 1 366 . 1 1 34 34 ARG CA C 13 54.032 0.23 . . . . . . 34 ARG CA . 15176 1 367 . 1 1 34 34 ARG CB C 13 30.448 0.23 . . . . . . 34 ARG CB . 15176 1 368 . 1 1 34 34 ARG N N 15 123.746 0.02 . . . . . . 34 ARG N . 15176 1 369 . 1 1 35 35 PRO HA H 1 4.379 0.01 . . . . . . 35 PRO HA . 15176 1 370 . 1 1 35 35 PRO HB2 H 1 2.182 0.01 . . . . . . 35 PRO HB2 . 15176 1 371 . 1 1 35 35 PRO HB3 H 1 1.780 0.01 . . . . . . 35 PRO HB3 . 15176 1 372 . 1 1 35 35 PRO C C 13 176.689 0.23 . . . . . . 35 PRO C . 15176 1 373 . 1 1 35 35 PRO CA C 13 63.073 0.23 . . . . . . 35 PRO CA . 15176 1 374 . 1 1 35 35 PRO CB C 13 31.977 0.23 . . . . . . 35 PRO CB . 15176 1 375 . 1 1 35 35 PRO CD C 13 50.584 0.23 . . . . . . 35 PRO CD . 15176 1 376 . 1 1 35 35 PRO CG C 13 27.492 0.23 . . . . . . 35 PRO CG . 15176 1 377 . 1 1 36 36 THR H H 1 8.222 0.01 . . . . . . 36 THR H . 15176 1 378 . 1 1 36 36 THR HA H 1 4.446 0.01 . . . . . . 36 THR HA . 15176 1 379 . 1 1 36 36 THR HB H 1 4.054 0.01 . . . . . . 36 THR HB . 15176 1 380 . 1 1 36 36 THR HG21 H 1 1.154 0.01 . . . . . . 36 THR QG2 . 15176 1 381 . 1 1 36 36 THR HG22 H 1 1.154 0.01 . . . . . . 36 THR QG2 . 15176 1 382 . 1 1 36 36 THR HG23 H 1 1.154 0.01 . . . . . . 36 THR QG2 . 15176 1 383 . 1 1 36 36 THR C C 13 178.157 0.23 . . . . . . 36 THR C . 15176 1 384 . 1 1 36 36 THR CA C 13 59.820 0.23 . . . . . . 36 THR CA . 15176 1 385 . 1 1 36 36 THR CB C 13 69.584 0.23 . . . . . . 36 THR CB . 15176 1 386 . 1 1 36 36 THR N N 15 117.402 0.02 . . . . . . 36 THR N . 15176 1 387 . 1 1 37 37 PRO HA H 1 4.259 0.01 . . . . . . 37 PRO HA . 15176 1 388 . 1 1 37 37 PRO HB2 H 1 2.203 0.01 . . . . . . 37 PRO HB2 . 15176 1 389 . 1 1 37 37 PRO HB3 H 1 1.796 0.01 . . . . . . 37 PRO HB3 . 15176 1 390 . 1 1 37 37 PRO C C 13 176.613 0.23 . . . . . . 37 PRO C . 15176 1 391 . 1 1 37 37 PRO CA C 13 63.515 0.23 . . . . . . 37 PRO CA . 15176 1 392 . 1 1 37 37 PRO CB C 13 32.049 0.23 . . . . . . 37 PRO CB . 15176 1 393 . 1 1 37 37 PRO CD C 13 51.015 0.23 . . . . . . 37 PRO CD . 15176 1 394 . 1 1 37 37 PRO CG C 13 27.430 0.23 . . . . . . 37 PRO CG . 15176 1 395 . 1 1 38 38 ALA H H 1 8.259 0.01 . . . . . . 38 ALA H . 15176 1 396 . 1 1 38 38 ALA HA H 1 4.134 0.01 . . . . . . 38 ALA HA . 15176 1 397 . 1 1 38 38 ALA HB1 H 1 1.263 0.01 . . . . . . 38 ALA QB . 15176 1 398 . 1 1 38 38 ALA HB2 H 1 1.263 0.01 . . . . . . 38 ALA QB . 15176 1 399 . 1 1 38 38 ALA HB3 H 1 1.263 0.01 . . . . . . 38 ALA QB . 15176 1 400 . 1 1 38 38 ALA C C 13 177.752 0.23 . . . . . . 38 ALA C . 15176 1 401 . 1 1 38 38 ALA CA C 13 52.862 0.23 . . . . . . 38 ALA CA . 15176 1 402 . 1 1 38 38 ALA CB C 13 19.056 0.23 . . . . . . 38 ALA CB . 15176 1 403 . 1 1 38 38 ALA N N 15 123.950 0.02 . . . . . . 38 ALA N . 15176 1 404 . 1 1 39 39 LEU H H 1 8.042 0.01 . . . . . . 39 LEU H . 15176 1 405 . 1 1 39 39 LEU HA H 1 4.176 0.01 . . . . . . 39 LEU HA . 15176 1 406 . 1 1 39 39 LEU HB2 H 1 1.493 0.01 . . . . . . 39 LEU HB2 . 15176 1 407 . 1 1 39 39 LEU HB3 H 1 1.399 0.01 . . . . . . 39 LEU HB3 . 15176 1 408 . 1 1 39 39 LEU HD11 H 1 0.775 0.01 . . . . . . 39 LEU QQD . 15176 1 409 . 1 1 39 39 LEU HD12 H 1 0.775 0.01 . . . . . . 39 LEU QQD . 15176 1 410 . 1 1 39 39 LEU HD13 H 1 0.775 0.01 . . . . . . 39 LEU QQD . 15176 1 411 . 1 1 39 39 LEU HD21 H 1 0.775 0.01 . . . . . . 39 LEU QQD . 15176 1 412 . 1 1 39 39 LEU HD22 H 1 0.775 0.01 . . . . . . 39 LEU QQD . 15176 1 413 . 1 1 39 39 LEU HD23 H 1 0.775 0.01 . . . . . . 39 LEU QQD . 15176 1 414 . 1 1 39 39 LEU HG H 1 1.337 0.01 . . . . . . 39 LEU HG . 15176 1 415 . 1 1 39 39 LEU C C 13 177.018 0.23 . . . . . . 39 LEU C . 15176 1 416 . 1 1 39 39 LEU CA C 13 55.202 0.23 . . . . . . 39 LEU CA . 15176 1 417 . 1 1 39 39 LEU CB C 13 42.139 0.23 . . . . . . 39 LEU CB . 15176 1 418 . 1 1 39 39 LEU CD1 C 13 24.906 0.23 . . . . . . 39 LEU CD1 . 15176 1 419 . 1 1 39 39 LEU CD2 C 13 23.551 0.23 . . . . . . 39 LEU CD2 . 15176 1 420 . 1 1 39 39 LEU CG C 13 26.999 0.23 . . . . . . 39 LEU CG . 15176 1 421 . 1 1 39 39 LEU N N 15 121.040 0.02 . . . . . . 39 LEU N . 15176 1 422 . 1 1 40 40 LEU H H 1 7.984 0.01 . . . . . . 40 LEU H . 15176 1 423 . 1 1 40 40 LEU HA H 1 4.176 0.01 . . . . . . 40 LEU HA . 15176 1 424 . 1 1 40 40 LEU HB2 H 1 1.425 0.01 . . . . . . 40 LEU HB2 . 15176 1 425 . 1 1 40 40 LEU HB3 H 1 1.331 0.01 . . . . . . 40 LEU HB3 . 15176 1 426 . 1 1 40 40 LEU HD11 H 1 0.723 0.01 . . . . . . 40 LEU QQD . 15176 1 427 . 1 1 40 40 LEU HD12 H 1 0.723 0.01 . . . . . . 40 LEU QQD . 15176 1 428 . 1 1 40 40 LEU HD13 H 1 0.723 0.01 . . . . . . 40 LEU QQD . 15176 1 429 . 1 1 40 40 LEU HD21 H 1 0.723 0.01 . . . . . . 40 LEU QQD . 15176 1 430 . 1 1 40 40 LEU HD22 H 1 0.723 0.01 . . . . . . 40 LEU QQD . 15176 1 431 . 1 1 40 40 LEU HD23 H 1 0.723 0.01 . . . . . . 40 LEU QQD . 15176 1 432 . 1 1 40 40 LEU HG H 1 1.259 0.01 . . . . . . 40 LEU HG . 15176 1 433 . 1 1 40 40 LEU C C 13 176.732 0.23 . . . . . . 40 LEU C . 15176 1 434 . 1 1 40 40 LEU CA C 13 54.919 0.23 . . . . . . 40 LEU CA . 15176 1 435 . 1 1 40 40 LEU CB C 13 42.209 0.23 . . . . . . 40 LEU CB . 15176 1 436 . 1 1 40 40 LEU CD1 C 13 24.721 0.23 . . . . . . 40 LEU CD1 . 15176 1 437 . 1 1 40 40 LEU CD2 C 13 23.551 0.23 . . . . . . 40 LEU CD2 . 15176 1 438 . 1 1 40 40 LEU CG C 13 26.814 0.23 . . . . . . 40 LEU CG . 15176 1 439 . 1 1 40 40 LEU N N 15 122.356 0.02 . . . . . . 40 LEU N . 15176 1 440 . 1 1 41 41 PHE H H 1 8.022 0.01 . . . . . . 41 PHE H . 15176 1 441 . 1 1 41 41 PHE HA H 1 4.494 0.01 . . . . . . 41 PHE HA . 15176 1 442 . 1 1 41 41 PHE HB2 H 1 2.996 0.01 . . . . . . 41 PHE HB2 . 15176 1 443 . 1 1 41 41 PHE HB3 H 1 2.897 0.01 . . . . . . 41 PHE HB3 . 15176 1 444 . 1 1 41 41 PHE C C 13 175.232 0.23 . . . . . . 41 PHE C . 15176 1 445 . 1 1 41 41 PHE CA C 13 57.542 0.23 . . . . . . 41 PHE CA . 15176 1 446 . 1 1 41 41 PHE CB C 13 39.746 0.23 . . . . . . 41 PHE CB . 15176 1 447 . 1 1 41 41 PHE N N 15 120.676 0.02 . . . . . . 41 PHE N . 15176 1 448 . 1 1 42 42 ARG H H 1 8.101 0.01 . . . . . . 42 ARG H . 15176 1 449 . 1 1 42 42 ARG HA H 1 4.228 0.01 . . . . . . 42 ARG HA . 15176 1 450 . 1 1 42 42 ARG HB2 H 1 1.670 0.01 . . . . . . 42 ARG HB2 . 15176 1 451 . 1 1 42 42 ARG HB3 H 1 1.582 0.01 . . . . . . 42 ARG HB3 . 15176 1 452 . 1 1 42 42 ARG HD2 H 1 3.061 0.01 . . . . . . 42 ARG QD . 15176 1 453 . 1 1 42 42 ARG HD3 H 1 3.061 0.01 . . . . . . 42 ARG QD . 15176 1 454 . 1 1 42 42 ARG HG2 H 1 1.441 0.01 . . . . . . 42 ARG QG . 15176 1 455 . 1 1 42 42 ARG HG3 H 1 1.441 0.01 . . . . . . 42 ARG QG . 15176 1 456 . 1 1 42 42 ARG C C 13 175.912 0.23 . . . . . . 42 ARG C . 15176 1 457 . 1 1 42 42 ARG CA C 13 55.633 0.23 . . . . . . 42 ARG CA . 15176 1 458 . 1 1 42 42 ARG CB C 13 30.821 0.23 . . . . . . 42 ARG CB . 15176 1 459 . 1 1 42 42 ARG CD C 13 43.379 0.23 . . . . . . 42 ARG CD . 15176 1 460 . 1 1 42 42 ARG CG C 13 26.999 0.23 . . . . . . 42 ARG CG . 15176 1 461 . 1 1 42 42 ARG N N 15 123.102 0.02 . . . . . . 42 ARG N . 15176 1 462 . 1 1 43 43 VAL H H 1 8.162 0.01 . . . . . . 43 VAL H . 15176 1 463 . 1 1 43 43 VAL HA H 1 3.972 0.01 . . . . . . 43 VAL HA . 15176 1 464 . 1 1 43 43 VAL HB H 1 1.973 0.01 . . . . . . 43 VAL HB . 15176 1 465 . 1 1 43 43 VAL HG11 H 1 0.841 0.01 . . . . . . 43 VAL QQG . 15176 1 466 . 1 1 43 43 VAL HG12 H 1 0.841 0.01 . . . . . . 43 VAL QQG . 15176 1 467 . 1 1 43 43 VAL HG13 H 1 0.841 0.01 . . . . . . 43 VAL QQG . 15176 1 468 . 1 1 43 43 VAL HG21 H 1 0.841 0.01 . . . . . . 43 VAL QQG . 15176 1 469 . 1 1 43 43 VAL HG22 H 1 0.841 0.01 . . . . . . 43 VAL QQG . 15176 1 470 . 1 1 43 43 VAL HG23 H 1 0.841 0.01 . . . . . . 43 VAL QQG . 15176 1 471 . 1 1 43 43 VAL C C 13 176.209 0.23 . . . . . . 43 VAL C . 15176 1 472 . 1 1 43 43 VAL CA C 13 62.343 0.23 . . . . . . 43 VAL CA . 15176 1 473 . 1 1 43 43 VAL CB C 13 32.646 0.23 . . . . . . 43 VAL CB . 15176 1 474 . 1 1 43 43 VAL CG1 C 13 21.029 0.23 . . . . . . 43 VAL CG1 . 15176 1 475 . 1 1 43 43 VAL CG2 C 13 20.838 0.23 . . . . . . 43 VAL CG2 . 15176 1 476 . 1 1 43 43 VAL N N 15 121.858 0.02 . . . . . . 43 VAL N . 15176 1 477 . 1 1 44 44 SER H H 1 8.315 0.01 . . . . . . 44 SER H . 15176 1 478 . 1 1 44 44 SER HA H 1 4.328 0.01 . . . . . . 44 SER HA . 15176 1 479 . 1 1 44 44 SER HB2 H 1 3.742 0.01 . . . . . . 44 SER HB2 . 15176 1 480 . 1 1 44 44 SER HB3 H 1 3.732 0.01 . . . . . . 44 SER HB3 . 15176 1 481 . 1 1 44 44 SER C C 13 174.465 0.23 . . . . . . 44 SER C . 15176 1 482 . 1 1 44 44 SER CA C 13 58.144 0.23 . . . . . . 44 SER CA . 15176 1 483 . 1 1 44 44 SER CB C 13 63.742 0.23 . . . . . . 44 SER CB . 15176 1 484 . 1 1 44 44 SER N N 15 119.100 0.02 . . . . . . 44 SER N . 15176 1 485 . 1 1 45 45 GLU H H 1 8.382 0.01 . . . . . . 45 GLU H . 15176 1 486 . 1 1 45 45 GLU HA H 1 4.134 0.01 . . . . . . 45 GLU HA . 15176 1 487 . 1 1 45 45 GLU HB2 H 1 1.858 0.01 . . . . . . 45 GLU HB2 . 15176 1 488 . 1 1 45 45 GLU HB3 H 1 1.769 0.01 . . . . . . 45 GLU HB3 . 15176 1 489 . 1 1 45 45 GLU HG2 H 1 2.055 0.01 . . . . . . 45 GLU QG . 15176 1 490 . 1 1 45 45 GLU HG3 H 1 2.055 0.01 . . . . . . 45 GLU QG . 15176 1 491 . 1 1 45 45 GLU C C 13 176.144 0.23 . . . . . . 45 GLU C . 15176 1 492 . 1 1 45 45 GLU CA C 13 56.866 0.23 . . . . . . 45 GLU CA . 15176 1 493 . 1 1 45 45 GLU CB C 13 30.151 0.23 . . . . . . 45 GLU CB . 15176 1 494 . 1 1 45 45 GLU CG C 13 36.065 0.23 . . . . . . 45 GLU CG . 15176 1 495 . 1 1 45 45 GLU N N 15 122.997 0.02 . . . . . . 45 GLU N . 15176 1 496 . 1 1 46 46 HIS H H 1 8.404 0.01 . . . . . . 46 HIS H . 15176 1 497 . 1 1 46 46 HIS HA H 1 4.661 0.01 . . . . . . 46 HIS HA . 15176 1 498 . 1 1 46 46 HIS HB2 H 1 3.194 0.01 . . . . . . 46 HIS HB2 . 15176 1 499 . 1 1 46 46 HIS HB3 H 1 3.048 0.01 . . . . . . 46 HIS HB3 . 15176 1 500 . 1 1 46 46 HIS C C 13 174.303 0.23 . . . . . . 46 HIS C . 15176 1 501 . 1 1 46 46 HIS CA C 13 55.202 0.23 . . . . . . 46 HIS CA . 15176 1 502 . 1 1 46 46 HIS CB C 13 29.178 0.23 . . . . . . 46 HIS CB . 15176 1 503 . 1 1 46 46 HIS N N 15 118.810 0.02 . . . . . . 46 HIS N . 15176 1 504 . 1 1 47 47 SER H H 1 8.302 0.01 . . . . . . 47 SER H . 15176 1 505 . 1 1 47 47 SER HA H 1 4.390 0.01 . . . . . . 47 SER HA . 15176 1 506 . 1 1 47 47 SER HB2 H 1 3.748 0.01 . . . . . . 47 SER QB . 15176 1 507 . 1 1 47 47 SER HB3 H 1 3.748 0.01 . . . . . . 47 SER QB . 15176 1 508 . 1 1 47 47 SER C C 13 174.093 0.23 . . . . . . 47 SER C . 15176 1 509 . 1 1 47 47 SER CA C 13 58.205 0.23 . . . . . . 47 SER CA . 15176 1 510 . 1 1 47 47 SER CB C 13 63.742 0.23 . . . . . . 47 SER CB . 15176 1 511 . 1 1 47 47 SER N N 15 117.483 0.02 . . . . . . 47 SER N . 15176 1 512 . 1 1 48 48 SER H H 1 8.394 0.01 . . . . . . 48 SER H . 15176 1 513 . 1 1 48 48 SER HA H 1 4.661 0.01 . . . . . . 48 SER HA . 15176 1 514 . 1 1 48 48 SER HB2 H 1 3.806 0.01 . . . . . . 48 SER QB . 15176 1 515 . 1 1 48 48 SER HB3 H 1 3.806 0.01 . . . . . . 48 SER QB . 15176 1 516 . 1 1 48 48 SER C C 13 178.109 0.23 . . . . . . 48 SER C . 15176 1 517 . 1 1 48 48 SER CA C 13 56.501 0.23 . . . . . . 48 SER CA . 15176 1 518 . 1 1 48 48 SER CB C 13 63.316 0.23 . . . . . . 48 SER CB . 15176 1 519 . 1 1 48 48 SER N N 15 119.060 0.02 . . . . . . 48 SER N . 15176 1 520 . 1 1 49 49 PRO HA H 1 4.317 0.01 . . . . . . 49 PRO HA . 15176 1 521 . 1 1 49 49 PRO HB2 H 1 2.208 0.01 . . . . . . 49 PRO HB2 . 15176 1 522 . 1 1 49 49 PRO HB3 H 1 1.832 0.01 . . . . . . 49 PRO HB3 . 15176 1 523 . 1 1 49 49 PRO C C 13 177.342 0.23 . . . . . . 49 PRO C . 15176 1 524 . 1 1 49 49 PRO CA C 13 63.925 0.23 . . . . . . 49 PRO CA . 15176 1 525 . 1 1 49 49 PRO CB C 13 31.916 0.23 . . . . . . 49 PRO CB . 15176 1 526 . 1 1 49 49 PRO CD C 13 50.584 0.23 . . . . . . 49 PRO CD . 15176 1 527 . 1 1 49 49 PRO CG C 13 27.369 0.23 . . . . . . 49 PRO CG . 15176 1 528 . 1 1 50 50 GLU H H 1 8.470 0.01 . . . . . . 50 GLU H . 15176 1 529 . 1 1 50 50 GLU HA H 1 4.129 0.01 . . . . . . 50 GLU HA . 15176 1 530 . 1 1 50 50 GLU HB2 H 1 1.937 0.01 . . . . . . 50 GLU HB2 . 15176 1 531 . 1 1 50 50 GLU HB3 H 1 1.837 0.01 . . . . . . 50 GLU HB3 . 15176 1 532 . 1 1 50 50 GLU HG2 H 1 2.144 0.01 . . . . . . 50 GLU QG . 15176 1 533 . 1 1 50 50 GLU HG3 H 1 2.144 0.01 . . . . . . 50 GLU QG . 15176 1 534 . 1 1 50 50 GLU C C 13 176.813 0.23 . . . . . . 50 GLU C . 15176 1 535 . 1 1 50 50 GLU CA C 13 57.231 0.23 . . . . . . 50 GLU CA . 15176 1 536 . 1 1 50 50 GLU CB C 13 29.786 0.23 . . . . . . 50 GLU CB . 15176 1 537 . 1 1 50 50 GLU CG C 13 36.051 0.23 . . . . . . 50 GLU CG . 15176 1 538 . 1 1 50 50 GLU N N 15 120.344 0.02 . . . . . . 50 GLU N . 15176 1 539 . 1 1 51 51 GLU H H 1 8.213 0.01 . . . . . . 51 GLU H . 15176 1 540 . 1 1 51 51 GLU HA H 1 4.165 0.01 . . . . . . 51 GLU HA . 15176 1 541 . 1 1 51 51 GLU HB2 H 1 1.973 0.01 . . . . . . 51 GLU HB2 . 15176 1 542 . 1 1 51 51 GLU HB3 H 1 1.874 0.01 . . . . . . 51 GLU HB3 . 15176 1 543 . 1 1 51 51 GLU HG2 H 1 2.144 0.01 . . . . . . 51 GLU QG . 15176 1 544 . 1 1 51 51 GLU HG3 H 1 2.144 0.01 . . . . . . 51 GLU QG . 15176 1 545 . 1 1 51 51 GLU C C 13 176.732 0.23 . . . . . . 51 GLU C . 15176 1 546 . 1 1 51 51 GLU CA C 13 57.059 0.23 . . . . . . 51 GLU CA . 15176 1 547 . 1 1 51 51 GLU CB C 13 30.090 0.23 . . . . . . 51 GLU CB . 15176 1 548 . 1 1 51 51 GLU CG C 13 36.051 0.23 . . . . . . 51 GLU CG . 15176 1 549 . 1 1 51 51 GLU N N 15 121.401 0.02 . . . . . . 51 GLU N . 15176 1 550 . 1 1 52 52 GLU H H 1 8.290 0.01 . . . . . . 52 GLU H . 15176 1 551 . 1 1 52 52 GLU HA H 1 4.165 0.01 . . . . . . 52 GLU HA . 15176 1 552 . 1 1 52 52 GLU HB2 H 1 1.976 0.01 . . . . . . 52 GLU HB2 . 15176 1 553 . 1 1 52 52 GLU HB3 H 1 1.871 0.01 . . . . . . 52 GLU HB3 . 15176 1 554 . 1 1 52 52 GLU HG2 H 1 2.186 0.01 . . . . . . 52 GLU QG . 15176 1 555 . 1 1 52 52 GLU HG3 H 1 2.186 0.01 . . . . . . 52 GLU QG . 15176 1 556 . 1 1 52 52 GLU C C 13 176.565 0.23 . . . . . . 52 GLU C . 15176 1 557 . 1 1 52 52 GLU CA C 13 55.756 0.23 . . . . . . 52 GLU CA . 15176 1 558 . 1 1 52 52 GLU CB C 13 29.969 0.23 . . . . . . 52 GLU CB . 15176 1 559 . 1 1 52 52 GLU CG C 13 36.051 0.23 . . . . . . 52 GLU CG . 15176 1 560 . 1 1 52 52 GLU N N 15 121.774 0.02 . . . . . . 52 GLU N . 15176 1 561 . 1 1 53 53 SER H H 1 8.221 0.01 . . . . . . 53 SER H . 15176 1 562 . 1 1 53 53 SER HA H 1 4.353 0.01 . . . . . . 53 SER HA . 15176 1 563 . 1 1 53 53 SER HB2 H 1 3.774 0.01 . . . . . . 53 SER QB . 15176 1 564 . 1 1 53 53 SER HB3 H 1 3.774 0.01 . . . . . . 53 SER QB . 15176 1 565 . 1 1 53 53 SER C C 13 174.336 0.23 . . . . . . 53 SER C . 15176 1 566 . 1 1 53 53 SER CA C 13 58.442 0.23 . . . . . . 53 SER CA . 15176 1 567 . 1 1 53 53 SER CB C 13 63.681 0.23 . . . . . . 53 SER CB . 15176 1 568 . 1 1 53 53 SER N N 15 116.390 0.02 . . . . . . 53 SER N . 15176 1 569 . 1 1 54 54 SER H H 1 8.135 0.01 . . . . . . 54 SER H . 15176 1 570 . 1 1 54 54 SER HA H 1 4.629 0.01 . . . . . . 54 SER HA . 15176 1 571 . 1 1 54 54 SER HB2 H 1 3.714 0.01 . . . . . . 54 SER QB . 15176 1 572 . 1 1 54 54 SER HB3 H 1 3.714 0.01 . . . . . . 54 SER QB . 15176 1 573 . 1 1 54 54 SER C C 13 177.952 0.23 . . . . . . 54 SER C . 15176 1 574 . 1 1 54 54 SER CA C 13 56.562 0.23 . . . . . . 54 SER CA . 15176 1 575 . 1 1 54 54 SER CB C 13 63.499 0.23 . . . . . . 54 SER CB . 15176 1 576 . 1 1 54 54 SER N N 15 118.584 0.02 . . . . . . 54 SER N . 15176 1 577 . 1 1 55 55 PRO HA H 1 4.291 0.01 . . . . . . 55 PRO HA . 15176 1 578 . 1 1 55 55 PRO HB2 H 1 2.145 0.01 . . . . . . 55 PRO HB2 . 15176 1 579 . 1 1 55 55 PRO HB3 H 1 1.702 0.01 . . . . . . 55 PRO HB3 . 15176 1 580 . 1 1 55 55 PRO C C 13 177.018 0.23 . . . . . . 55 PRO C . 15176 1 581 . 1 1 55 55 PRO CA C 13 63.742 0.23 . . . . . . 55 PRO CA . 15176 1 582 . 1 1 55 55 PRO CB C 13 31.916 0.23 . . . . . . 55 PRO CB . 15176 1 583 . 1 1 55 55 PRO CD C 13 50.584 0.23 . . . . . . 55 PRO CD . 15176 1 584 . 1 1 55 55 PRO CG C 13 27.307 0.23 . . . . . . 55 PRO CG . 15176 1 585 . 1 1 56 56 HIS H H 1 8.440 0.01 . . . . . . 56 HIS H . 15176 1 586 . 1 1 56 56 HIS HA H 1 4.552 0.01 . . . . . . 56 HIS HA . 15176 1 587 . 1 1 56 56 HIS HB2 H 1 3.137 0.01 . . . . . . 56 HIS HB2 . 15176 1 588 . 1 1 56 56 HIS HB3 H 1 3.069 0.01 . . . . . . 56 HIS HB3 . 15176 1 589 . 1 1 56 56 HIS C C 13 174.546 0.23 . . . . . . 56 HIS C . 15176 1 590 . 1 1 56 56 HIS CA C 13 55.405 0.23 . . . . . . 56 HIS CA . 15176 1 591 . 1 1 56 56 HIS CB C 13 28.908 0.23 . . . . . . 56 HIS CB . 15176 1 592 . 1 1 56 56 HIS N N 15 118.357 0.02 . . . . . . 56 HIS N . 15176 1 593 . 1 1 57 57 GLN H H 1 8.300 0.01 . . . . . . 57 GLN H . 15176 1 594 . 1 1 57 57 GLN HA H 1 4.223 0.01 . . . . . . 57 GLN HA . 15176 1 595 . 1 1 57 57 GLN HB2 H 1 1.983 0.01 . . . . . . 57 GLN HB2 . 15176 1 596 . 1 1 57 57 GLN HB3 H 1 1.884 0.01 . . . . . . 57 GLN HB3 . 15176 1 597 . 1 1 57 57 GLN HG2 H 1 2.186 0.01 . . . . . . 57 GLN QG . 15176 1 598 . 1 1 57 57 GLN HG3 H 1 2.186 0.01 . . . . . . 57 GLN QG . 15176 1 599 . 1 1 57 57 GLN C C 13 175.923 0.23 . . . . . . 57 GLN C . 15176 1 600 . 1 1 57 57 GLN CA C 13 56.866 0.23 . . . . . . 57 GLN CA . 15176 1 601 . 1 1 57 57 GLN CB C 13 29.585 0.23 . . . . . . 57 GLN CB . 15176 1 602 . 1 1 57 57 GLN CG C 13 33.711 0.23 . . . . . . 57 GLN CG . 15176 1 603 . 1 1 57 57 GLN N N 15 121.568 0.02 . . . . . . 57 GLN N . 15176 1 604 . 1 1 58 58 ARG H H 1 8.482 0.01 . . . . . . 58 ARG H . 15176 1 605 . 1 1 58 58 ARG HA H 1 4.301 0.01 . . . . . . 58 ARG HA . 15176 1 606 . 1 1 58 58 ARG HB2 H 1 1.785 0.01 . . . . . . 58 ARG HB2 . 15176 1 607 . 1 1 58 58 ARG HB3 H 1 1.696 0.01 . . . . . . 58 ARG HB3 . 15176 1 608 . 1 1 58 58 ARG HD2 H 1 3.074 0.01 . . . . . . 58 ARG QD . 15176 1 609 . 1 1 58 58 ARG HD3 H 1 3.074 0.01 . . . . . . 58 ARG QD . 15176 1 610 . 1 1 58 58 ARG HG2 H 1 1.559 0.01 . . . . . . 58 ARG QG . 15176 1 611 . 1 1 58 58 ARG HG3 H 1 1.559 0.01 . . . . . . 58 ARG QG . 15176 1 612 . 1 1 58 58 ARG C C 13 176.651 0.23 . . . . . . 58 ARG C . 15176 1 613 . 1 1 58 58 ARG CA C 13 56.372 0.23 . . . . . . 58 ARG CA . 15176 1 614 . 1 1 58 58 ARG CB C 13 30.817 0.23 . . . . . . 58 ARG CB . 15176 1 615 . 1 1 58 58 ARG CD C 13 43.440 0.23 . . . . . . 58 ARG CD . 15176 1 616 . 1 1 58 58 ARG CG C 13 27.246 0.23 . . . . . . 58 ARG CG . 15176 1 617 . 1 1 58 58 ARG N N 15 123.039 0.02 . . . . . . 58 ARG N . 15176 1 618 . 1 1 59 59 THR H H 1 8.227 0.01 . . . . . . 59 THR H . 15176 1 619 . 1 1 59 59 THR HA H 1 4.312 0.01 . . . . . . 59 THR HA . 15176 1 620 . 1 1 59 59 THR HB H 1 4.165 0.01 . . . . . . 59 THR HB . 15176 1 621 . 1 1 59 59 THR HG21 H 1 1.115 0.01 . . . . . . 59 THR QG2 . 15176 1 622 . 1 1 59 59 THR HG22 H 1 1.115 0.01 . . . . . . 59 THR QG2 . 15176 1 623 . 1 1 59 59 THR HG23 H 1 1.115 0.01 . . . . . . 59 THR QG2 . 15176 1 624 . 1 1 59 59 THR C C 13 174.697 0.23 . . . . . . 59 THR C . 15176 1 625 . 1 1 59 59 THR CA C 13 61.667 0.23 . . . . . . 59 THR CA . 15176 1 626 . 1 1 59 59 THR CB C 13 69.980 0.23 . . . . . . 59 THR CB . 15176 1 627 . 1 1 59 59 THR CG2 C 13 21.519 0.23 . . . . . . 59 THR CG2 . 15176 1 628 . 1 1 59 59 THR N N 15 115.359 0.02 . . . . . . 59 THR N . 15176 1 629 . 1 1 60 60 SER H H 1 8.341 0.01 . . . . . . 60 SER H . 15176 1 630 . 1 1 60 60 SER HA H 1 4.359 0.01 . . . . . . 60 SER HA . 15176 1 631 . 1 1 60 60 SER HB2 H 1 3.800 0.01 . . . . . . 60 SER HB2 . 15176 1 632 . 1 1 60 60 SER HB3 H 1 3.769 0.01 . . . . . . 60 SER HB3 . 15176 1 633 . 1 1 60 60 SER C C 13 175.102 0.23 . . . . . . 60 SER C . 15176 1 634 . 1 1 60 60 SER CA C 13 58.465 0.23 . . . . . . 60 SER CA . 15176 1 635 . 1 1 60 60 SER CB C 13 63.761 0.23 . . . . . . 60 SER CB . 15176 1 636 . 1 1 60 60 SER N N 15 117.982 0.02 . . . . . . 60 SER N . 15176 1 637 . 1 1 61 61 GLY H H 1 8.423 0.01 . . . . . . 61 GLY H . 15176 1 638 . 1 1 61 61 GLY HA2 H 1 3.889 0.01 . . . . . . 61 GLY QA . 15176 1 639 . 1 1 61 61 GLY HA3 H 1 3.889 0.01 . . . . . . 61 GLY QA . 15176 1 640 . 1 1 61 61 GLY C C 13 174.292 0.23 . . . . . . 61 GLY C . 15176 1 641 . 1 1 61 61 GLY CA C 13 45.288 0.23 . . . . . . 61 GLY CA . 15176 1 642 . 1 1 61 61 GLY N N 15 111.019 0.02 . . . . . . 61 GLY N . 15176 1 643 . 1 1 62 62 GLU H H 1 8.228 0.01 . . . . . . 62 GLU H . 15176 1 644 . 1 1 62 62 GLU HA H 1 4.155 0.01 . . . . . . 62 GLU HA . 15176 1 645 . 1 1 62 62 GLU HB2 H 1 1.952 0.01 . . . . . . 62 GLU HB2 . 15176 1 646 . 1 1 62 62 GLU HB3 H 1 1.848 0.01 . . . . . . 62 GLU HB3 . 15176 1 647 . 1 1 62 62 GLU HG2 H 1 2.186 0.01 . . . . . . 62 GLU QG . 15176 1 648 . 1 1 62 62 GLU HG3 H 1 2.186 0.01 . . . . . . 62 GLU QG . 15176 1 649 . 1 1 62 62 GLU C C 13 177.056 0.23 . . . . . . 62 GLU C . 15176 1 650 . 1 1 62 62 GLU CA C 13 56.866 0.23 . . . . . . 62 GLU CA . 15176 1 651 . 1 1 62 62 GLU CB C 13 30.212 0.23 . . . . . . 62 GLU CB . 15176 1 652 . 1 1 62 62 GLU CG C 13 36.051 0.23 . . . . . . 62 GLU CG . 15176 1 653 . 1 1 62 62 GLU N N 15 120.676 0.02 . . . . . . 62 GLU N . 15176 1 654 . 1 1 63 63 GLY H H 1 8.403 0.01 . . . . . . 63 GLY H . 15176 1 655 . 1 1 63 63 GLY HA2 H 1 3.763 0.01 . . . . . . 63 GLY QA . 15176 1 656 . 1 1 63 63 GLY HA3 H 1 3.763 0.01 . . . . . . 63 GLY QA . 15176 1 657 . 1 1 63 63 GLY C C 13 173.774 0.23 . . . . . . 63 GLY C . 15176 1 658 . 1 1 63 63 GLY CA C 13 45.042 0.23 . . . . . . 63 GLY CA . 15176 1 659 . 1 1 63 63 GLY N N 15 109.634 0.02 . . . . . . 63 GLY N . 15176 1 660 . 1 1 64 64 HIS H H 1 8.256 0.01 . . . . . . 64 HIS H . 15176 1 661 . 1 1 64 64 HIS HA H 1 4.541 0.01 . . . . . . 64 HIS HA . 15176 1 662 . 1 1 64 64 HIS HB2 H 1 3.064 0.01 . . . . . . 64 HIS HB2 . 15176 1 663 . 1 1 64 64 HIS HB3 H 1 2.949 0.01 . . . . . . 64 HIS HB3 . 15176 1 664 . 1 1 64 64 HIS C C 13 174.174 0.23 . . . . . . 64 HIS C . 15176 1 665 . 1 1 64 64 HIS CA C 13 55.202 0.23 . . . . . . 64 HIS CA . 15176 1 666 . 1 1 64 64 HIS CB C 13 29.154 0.23 . . . . . . 64 HIS CB . 15176 1 667 . 1 1 64 64 HIS N N 15 118.065 0.02 . . . . . . 64 HIS N . 15176 1 668 . 1 1 65 65 HIS H H 1 8.522 0.01 . . . . . . 65 HIS H . 15176 1 669 . 1 1 65 65 HIS HA H 1 4.631 0.01 . . . . . . 65 HIS HA . 15176 1 670 . 1 1 65 65 HIS HB2 H 1 3.023 0.01 . . . . . . 65 HIS QB . 15176 1 671 . 1 1 65 65 HIS HB3 H 1 3.023 0.01 . . . . . . 65 HIS QB . 15176 1 672 . 1 1 65 65 HIS C C 13 177.547 0.23 . . . . . . 65 HIS C . 15176 1 673 . 1 1 65 65 HIS CA C 13 53.355 0.23 . . . . . . 65 HIS CA . 15176 1 674 . 1 1 65 65 HIS CB C 13 28.847 0.23 . . . . . . 65 HIS CB . 15176 1 675 . 1 1 65 65 HIS N N 15 120.992 0.02 . . . . . . 65 HIS N . 15176 1 676 . 1 1 66 66 PRO HA H 1 4.348 0.01 . . . . . . 66 PRO HA . 15176 1 677 . 1 1 66 66 PRO HB2 H 1 2.208 0.01 . . . . . . 66 PRO HB2 . 15176 1 678 . 1 1 66 66 PRO HB3 H 1 1.816 0.01 . . . . . . 66 PRO HB3 . 15176 1 679 . 1 1 66 66 PRO C C 13 176.980 0.23 . . . . . . 66 PRO C . 15176 1 680 . 1 1 66 66 PRO CA C 13 63.255 0.23 . . . . . . 66 PRO CA . 15176 1 681 . 1 1 66 66 PRO CB C 13 32.220 0.23 . . . . . . 66 PRO CB . 15176 1 682 . 1 1 66 66 PRO CD C 13 50.584 0.23 . . . . . . 66 PRO CD . 15176 1 683 . 1 1 66 66 PRO CG C 13 27.492 0.23 . . . . . . 66 PRO CG . 15176 1 684 . 1 1 67 67 LYS H H 1 8.582 0.01 . . . . . . 67 LYS H . 15176 1 685 . 1 1 67 67 LYS HA H 1 4.218 0.01 . . . . . . 67 LYS HA . 15176 1 686 . 1 1 67 67 LYS HB2 H 1 1.754 0.01 . . . . . . 67 LYS HB2 . 15176 1 687 . 1 1 67 67 LYS HB3 H 1 1.676 0.01 . . . . . . 67 LYS HB3 . 15176 1 688 . 1 1 67 67 LYS HD2 H 1 1.611 0.01 . . . . . . 67 LYS QD . 15176 1 689 . 1 1 67 67 LYS HD3 H 1 1.611 0.01 . . . . . . 67 LYS QD . 15176 1 690 . 1 1 67 67 LYS HE2 H 1 2.906 0.01 . . . . . . 67 LYS QE . 15176 1 691 . 1 1 67 67 LYS HE3 H 1 2.906 0.01 . . . . . . 67 LYS QE . 15176 1 692 . 1 1 67 67 LYS HG2 H 1 1.379 0.01 . . . . . . 67 LYS QG . 15176 1 693 . 1 1 67 67 LYS HG3 H 1 1.379 0.01 . . . . . . 67 LYS QG . 15176 1 694 . 1 1 67 67 LYS C C 13 176.775 0.23 . . . . . . 67 LYS C . 15176 1 695 . 1 1 67 67 LYS CA C 13 56.421 0.23 . . . . . . 67 LYS CA . 15176 1 696 . 1 1 67 67 LYS CB C 13 33.072 0.23 . . . . . . 67 LYS CB . 15176 1 697 . 1 1 67 67 LYS CD C 13 29.154 0.23 . . . . . . 67 LYS CD . 15176 1 698 . 1 1 67 67 LYS CE C 13 42.086 0.23 . . . . . . 67 LYS CE . 15176 1 699 . 1 1 67 67 LYS CG C 13 24.967 0.23 . . . . . . 67 LYS CG . 15176 1 700 . 1 1 67 67 LYS N N 15 122.335 0.02 . . . . . . 67 LYS N . 15176 1 701 . 1 1 68 68 SER H H 1 8.295 0.01 . . . . . . 68 SER H . 15176 1 702 . 1 1 68 68 SER HA H 1 4.322 0.01 . . . . . . 68 SER HA . 15176 1 703 . 1 1 68 68 SER HB2 H 1 3.753 0.01 . . . . . . 68 SER QB . 15176 1 704 . 1 1 68 68 SER HB3 H 1 3.753 0.01 . . . . . . 68 SER QB . 15176 1 705 . 1 1 68 68 SER C C 13 174.379 0.23 . . . . . . 68 SER C . 15176 1 706 . 1 1 68 68 SER CA C 13 58.096 0.23 . . . . . . 68 SER CA . 15176 1 707 . 1 1 68 68 SER CB C 13 63.803 0.23 . . . . . . 68 SER CB . 15176 1 708 . 1 1 68 68 SER N N 15 117.255 0.02 . . . . . . 68 SER N . 15176 1 709 . 1 1 69 69 LYS H H 1 8.394 0.01 . . . . . . 69 LYS H . 15176 1 710 . 1 1 69 69 LYS HA H 1 4.238 0.01 . . . . . . 69 LYS HA . 15176 1 711 . 1 1 69 69 LYS HB2 H 1 1.728 0.01 . . . . . . 69 LYS HB2 . 15176 1 712 . 1 1 69 69 LYS HB3 H 1 1.613 0.01 . . . . . . 69 LYS HB3 . 15176 1 713 . 1 1 69 69 LYS HD2 H 1 1.537 0.01 . . . . . . 69 LYS QD . 15176 1 714 . 1 1 69 69 LYS HD3 H 1 1.537 0.01 . . . . . . 69 LYS QD . 15176 1 715 . 1 1 69 69 LYS HE2 H 1 2.898 0.01 . . . . . . 69 LYS QE . 15176 1 716 . 1 1 69 69 LYS HE3 H 1 2.898 0.01 . . . . . . 69 LYS QE . 15176 1 717 . 1 1 69 69 LYS HG2 H 1 1.314 0.01 . . . . . . 69 LYS QG . 15176 1 718 . 1 1 69 69 LYS HG3 H 1 1.314 0.01 . . . . . . 69 LYS QG . 15176 1 719 . 1 1 69 69 LYS C C 13 176.290 0.23 . . . . . . 69 LYS C . 15176 1 720 . 1 1 69 69 LYS CA C 13 56.125 0.23 . . . . . . 69 LYS CA . 15176 1 721 . 1 1 69 69 LYS CB C 13 33.095 0.23 . . . . . . 69 LYS CB . 15176 1 722 . 1 1 69 69 LYS CD C 13 29.093 0.23 . . . . . . 69 LYS CD . 15176 1 723 . 1 1 69 69 LYS CE C 13 42.024 0.23 . . . . . . 69 LYS CE . 15176 1 724 . 1 1 69 69 LYS CG C 13 24.906 0.23 . . . . . . 69 LYS CG . 15176 1 725 . 1 1 69 69 LYS N N 15 123.764 0.02 . . . . . . 69 LYS N . 15176 1 726 . 1 1 70 70 ARG H H 1 8.330 0.01 . . . . . . 70 ARG H . 15176 1 727 . 1 1 70 70 ARG HA H 1 4.485 0.01 . . . . . . 70 ARG HA . 15176 1 728 . 1 1 70 70 ARG HB2 H 1 1.613 0.01 . . . . . . 70 ARG QB . 15176 1 729 . 1 1 70 70 ARG HB3 H 1 1.613 0.01 . . . . . . 70 ARG QB . 15176 1 730 . 1 1 70 70 ARG HD2 H 1 3.074 0.01 . . . . . . 70 ARG QD . 15176 1 731 . 1 1 70 70 ARG HD3 H 1 3.074 0.01 . . . . . . 70 ARG QD . 15176 1 732 . 1 1 70 70 ARG HG2 H 1 1.559 0.01 . . . . . . 70 ARG QG . 15176 1 733 . 1 1 70 70 ARG HG3 H 1 1.559 0.01 . . . . . . 70 ARG QG . 15176 1 734 . 1 1 70 70 ARG C C 13 174.217 0.23 . . . . . . 70 ARG C . 15176 1 735 . 1 1 70 70 ARG CA C 13 54.032 0.23 . . . . . . 70 ARG CA . 15176 1 736 . 1 1 70 70 ARG CB C 13 30.017 0.23 . . . . . . 70 ARG CB . 15176 1 737 . 1 1 70 70 ARG N N 15 123.915 0.02 . . . . . . 70 ARG N . 15176 1 738 . 1 1 71 71 PRO HA H 1 4.296 0.01 . . . . . . 71 PRO HA . 15176 1 739 . 1 1 71 71 PRO HB2 H 1 2.171 0.01 . . . . . . 71 PRO HB2 . 15176 1 740 . 1 1 71 71 PRO HB3 H 1 1.754 0.01 . . . . . . 71 PRO HB3 . 15176 1 741 . 1 1 71 71 PRO C C 13 176.317 0.23 . . . . . . 71 PRO C . 15176 1 742 . 1 1 71 71 PRO CA C 13 62.890 0.23 . . . . . . 71 PRO CA . 15176 1 743 . 1 1 71 71 PRO CB C 13 32.099 0.23 . . . . . . 71 PRO CB . 15176 1 744 . 1 1 71 71 PRO CD C 13 50.584 0.23 . . . . . . 71 PRO CD . 15176 1 745 . 1 1 71 71 PRO CG C 13 27.492 0.23 . . . . . . 71 PRO CG . 15176 1 746 . 1 1 72 72 ASN H H 1 8.518 0.01 . . . . . . 72 ASN H . 15176 1 747 . 1 1 72 72 ASN HA H 1 4.825 0.01 . . . . . . 72 ASN HA . 15176 1 748 . 1 1 72 72 ASN HB2 H 1 2.722 0.01 . . . . . . 72 ASN HB2 . 15176 1 749 . 1 1 72 72 ASN HB3 H 1 2.578 0.01 . . . . . . 72 ASN HB3 . 15176 1 750 . 1 1 72 72 ASN C C 13 176.290 0.23 . . . . . . 72 ASN C . 15176 1 751 . 1 1 72 72 ASN CA C 13 51.024 0.23 . . . . . . 72 ASN CA . 15176 1 752 . 1 1 72 72 ASN CB C 13 38.549 0.23 . . . . . . 72 ASN CB . 15176 1 753 . 1 1 72 72 ASN N N 15 120.199 0.02 . . . . . . 72 ASN N . 15176 1 754 . 1 1 73 73 PRO HA H 1 4.306 0.01 . . . . . . 73 PRO HA . 15176 1 755 . 1 1 73 73 PRO HB2 H 1 2.203 0.01 . . . . . . 73 PRO HB2 . 15176 1 756 . 1 1 73 73 PRO HB3 H 1 1.879 0.01 . . . . . . 73 PRO HB3 . 15176 1 757 . 1 1 73 73 PRO C C 13 177.013 0.23 . . . . . . 73 PRO C . 15176 1 758 . 1 1 73 73 PRO CA C 13 61.795 0.23 . . . . . . 73 PRO CA . 15176 1 759 . 1 1 73 73 PRO CB C 13 32.049 0.23 . . . . . . 73 PRO CB . 15176 1 760 . 1 1 73 73 PRO CD C 13 50.584 0.23 . . . . . . 73 PRO CD . 15176 1 761 . 1 1 73 73 PRO CG C 13 27.307 0.23 . . . . . . 73 PRO CG . 15176 1 762 . 1 1 74 74 SER H H 1 8.246 0.01 . . . . . . 74 SER H . 15176 1 763 . 1 1 74 74 SER HA H 1 4.301 0.01 . . . . . . 74 SER HA . 15176 1 764 . 1 1 74 74 SER HB2 H 1 3.769 0.01 . . . . . . 74 SER QB . 15176 1 765 . 1 1 74 74 SER HB3 H 1 3.769 0.01 . . . . . . 74 SER QB . 15176 1 766 . 1 1 74 74 SER C C 13 174.292 0.23 . . . . . . 74 SER C . 15176 1 767 . 1 1 74 74 SER CA C 13 58.448 0.23 . . . . . . 74 SER CA . 15176 1 768 . 1 1 74 74 SER CB C 13 63.700 0.23 . . . . . . 74 SER CB . 15176 1 769 . 1 1 74 74 SER N N 15 115.471 0.02 . . . . . . 74 SER N . 15176 1 770 . 1 1 75 75 ALA H H 1 8.071 0.01 . . . . . . 75 ALA H . 15176 1 771 . 1 1 75 75 ALA HA H 1 4.202 0.01 . . . . . . 75 ALA HA . 15176 1 772 . 1 1 75 75 ALA HB1 H 1 1.237 0.01 . . . . . . 75 ALA QB . 15176 1 773 . 1 1 75 75 ALA HB2 H 1 1.237 0.01 . . . . . . 75 ALA QB . 15176 1 774 . 1 1 75 75 ALA HB3 H 1 1.237 0.01 . . . . . . 75 ALA QB . 15176 1 775 . 1 1 75 75 ALA C C 13 177.018 0.23 . . . . . . 75 ALA C . 15176 1 776 . 1 1 75 75 ALA CA C 13 52.606 0.23 . . . . . . 75 ALA CA . 15176 1 777 . 1 1 75 75 ALA CB C 13 19.259 0.23 . . . . . . 75 ALA CB . 15176 1 778 . 1 1 75 75 ALA N N 15 125.505 0.02 . . . . . . 75 ALA N . 15176 1 779 . 1 1 76 76 TYR H H 1 8.071 0.01 . . . . . . 76 TYR H . 15176 1 780 . 1 1 76 76 TYR HA H 1 4.458 0.01 . . . . . . 76 TYR HA . 15176 1 781 . 1 1 76 76 TYR HB2 H 1 2.913 0.01 . . . . . . 76 TYR HB2 . 15176 1 782 . 1 1 76 76 TYR HB3 H 1 2.777 0.01 . . . . . . 76 TYR HB3 . 15176 1 783 . 1 1 76 76 TYR C C 13 175.221 0.23 . . . . . . 76 TYR C . 15176 1 784 . 1 1 76 76 TYR CA C 13 57.779 0.23 . . . . . . 76 TYR CA . 15176 1 785 . 1 1 76 76 TYR CB C 13 39.036 0.23 . . . . . . 76 TYR CB . 15176 1 786 . 1 1 76 76 TYR N N 15 120.423 0.02 . . . . . . 76 TYR N . 15176 1 787 . 1 1 77 77 THR H H 1 7.825 0.01 . . . . . . 77 THR H . 15176 1 788 . 1 1 77 77 THR HA H 1 4.354 0.01 . . . . . . 77 THR HA . 15176 1 789 . 1 1 77 77 THR HB H 1 3.806 0.01 . . . . . . 77 THR HB . 15176 1 790 . 1 1 77 77 THR HG21 H 1 1.037 0.01 . . . . . . 77 THR QG2 . 15176 1 791 . 1 1 77 77 THR HG22 H 1 1.037 0.01 . . . . . . 77 THR QG2 . 15176 1 792 . 1 1 77 77 THR HG23 H 1 1.037 0.01 . . . . . . 77 THR QG2 . 15176 1 793 . 1 1 77 77 THR C C 13 176.446 0.23 . . . . . . 77 THR C . 15176 1 794 . 1 1 77 77 THR CA C 13 59.123 0.23 . . . . . . 77 THR CA . 15176 1 795 . 1 1 77 77 THR CB C 13 70.436 0.23 . . . . . . 77 THR CB . 15176 1 796 . 1 1 77 77 THR N N 15 122.148 0.02 . . . . . . 77 THR N . 15176 1 797 . 1 1 79 79 PRO HA H 1 4.244 0.01 . . . . . . 79 PRO HA . 15176 1 798 . 1 1 79 79 PRO HB2 H 1 1.877 0.01 . . . . . . 79 PRO HB2 . 15176 1 799 . 1 1 79 79 PRO HB3 H 1 1.829 0.01 . . . . . . 79 PRO HB3 . 15176 1 800 . 1 1 79 79 PRO C C 13 176.946 0.23 . . . . . . 79 PRO C . 15176 1 801 . 1 1 79 79 PRO CA C 13 63.010 0.23 . . . . . . 79 PRO CA . 15176 1 802 . 1 1 79 79 PRO CB C 13 31.700 0.23 . . . . . . 79 PRO CB . 15176 1 803 . 1 1 79 79 PRO CD C 13 50.564 0.23 . . . . . . 79 PRO CD . 15176 1 804 . 1 1 79 79 PRO CG C 13 27.275 0.23 . . . . . . 79 PRO CG . 15176 1 805 . 1 1 80 80 SER H H 1 8.246 0.01 . . . . . . 80 SER H . 15176 1 806 . 1 1 80 80 SER HA H 1 4.285 0.01 . . . . . . 80 SER HA . 15176 1 807 . 1 1 80 80 SER HB2 H 1 3.784 0.01 . . . . . . 80 SER HB2 . 15176 1 808 . 1 1 80 80 SER HB3 H 1 3.753 0.01 . . . . . . 80 SER HB3 . 15176 1 809 . 1 1 80 80 SER C C 13 174.807 0.23 . . . . . . 80 SER C . 15176 1 810 . 1 1 80 80 SER CA C 13 58.083 0.23 . . . . . . 80 SER CA . 15176 1 811 . 1 1 80 80 SER CB C 13 63.530 0.23 . . . . . . 80 SER CB . 15176 1 812 . 1 1 80 80 SER N N 15 115.488 0.02 . . . . . . 80 SER N . 15176 1 813 . 1 1 81 81 LEU H H 1 8.189 0.01 . . . . . . 81 LEU H . 15176 1 814 . 1 1 81 81 LEU HA H 1 4.244 0.01 . . . . . . 81 LEU HA . 15176 1 815 . 1 1 81 81 LEU HB2 H 1 1.503 0.01 . . . . . . 81 LEU QB . 15176 1 816 . 1 1 81 81 LEU HB3 H 1 1.503 0.01 . . . . . . 81 LEU QB . 15176 1 817 . 1 1 81 81 LEU HD11 H 1 0.775 0.01 . . . . . . 81 LEU QQD . 15176 1 818 . 1 1 81 81 LEU HD12 H 1 0.775 0.01 . . . . . . 81 LEU QQD . 15176 1 819 . 1 1 81 81 LEU HD13 H 1 0.775 0.01 . . . . . . 81 LEU QQD . 15176 1 820 . 1 1 81 81 LEU HD21 H 1 0.775 0.01 . . . . . . 81 LEU QQD . 15176 1 821 . 1 1 81 81 LEU HD22 H 1 0.775 0.01 . . . . . . 81 LEU QQD . 15176 1 822 . 1 1 81 81 LEU HD23 H 1 0.775 0.01 . . . . . . 81 LEU QQD . 15176 1 823 . 1 1 81 81 LEU HG H 1 1.441 0.01 . . . . . . 81 LEU HG . 15176 1 824 . 1 1 81 81 LEU C C 13 177.504 0.23 . . . . . . 81 LEU C . 15176 1 825 . 1 1 81 81 LEU CA C 13 55.405 0.23 . . . . . . 81 LEU CA . 15176 1 826 . 1 1 81 81 LEU CB C 13 42.079 0.23 . . . . . . 81 LEU CB . 15176 1 827 . 1 1 81 81 LEU CD1 C 13 24.721 0.23 . . . . . . 81 LEU CD1 . 15176 1 828 . 1 1 81 81 LEU CD2 C 13 23.489 0.23 . . . . . . 81 LEU CD2 . 15176 1 829 . 1 1 81 81 LEU CG C 13 26.999 0.23 . . . . . . 81 LEU CG . 15176 1 830 . 1 1 81 81 LEU N N 15 124.387 0.02 . . . . . . 81 LEU N . 15176 1 831 . 1 1 82 82 LYS H H 1 8.082 0.01 . . . . . . 82 LYS H . 15176 1 832 . 1 1 82 82 LYS HA H 1 4.129 0.01 . . . . . . 82 LYS HA . 15176 1 833 . 1 1 82 82 LYS HB2 H 1 1.707 0.01 . . . . . . 82 LYS HB2 . 15176 1 834 . 1 1 82 82 LYS HB3 H 1 1.623 0.01 . . . . . . 82 LYS HB3 . 15176 1 835 . 1 1 82 82 LYS HG2 H 1 1.311 0.01 . . . . . . 82 LYS QG . 15176 1 836 . 1 1 82 82 LYS HG3 H 1 1.311 0.01 . . . . . . 82 LYS QG . 15176 1 837 . 1 1 82 82 LYS C C 13 176.532 0.23 . . . . . . 82 LYS C . 15176 1 838 . 1 1 82 82 LYS CA C 13 56.562 0.23 . . . . . . 82 LYS CA . 15176 1 839 . 1 1 82 82 LYS CB C 13 32.829 0.23 . . . . . . 82 LYS CB . 15176 1 840 . 1 1 82 82 LYS CD C 13 29.093 0.23 . . . . . . 82 LYS CD . 15176 1 841 . 1 1 82 82 LYS CE C 13 42.024 0.23 . . . . . . 82 LYS CE . 15176 1 842 . 1 1 82 82 LYS CG C 13 24.967 0.23 . . . . . . 82 LYS CG . 15176 1 843 . 1 1 82 82 LYS N N 15 121.546 0.02 . . . . . . 82 LYS N . 15176 1 844 . 1 1 83 83 ALA H H 1 8.111 0.01 . . . . . . 83 ALA H . 15176 1 845 . 1 1 83 83 ALA HA H 1 4.181 0.01 . . . . . . 83 ALA HA . 15176 1 846 . 1 1 83 83 ALA HB1 H 1 1.284 0.01 . . . . . . 83 ALA QB . 15176 1 847 . 1 1 83 83 ALA HB2 H 1 1.284 0.01 . . . . . . 83 ALA QB . 15176 1 848 . 1 1 83 83 ALA HB3 H 1 1.284 0.01 . . . . . . 83 ALA QB . 15176 1 849 . 1 1 83 83 ALA C C 13 177.995 0.23 . . . . . . 83 ALA C . 15176 1 850 . 1 1 83 83 ALA CA C 13 52.910 0.23 . . . . . . 83 ALA CA . 15176 1 851 . 1 1 83 83 ALA CB C 13 19.015 0.23 . . . . . . 83 ALA CB . 15176 1 852 . 1 1 83 83 ALA N N 15 124.821 0.02 . . . . . . 83 ALA N . 15176 1 853 . 1 1 84 84 VAL H H 1 7.983 0.01 . . . . . . 84 VAL H . 15176 1 854 . 1 1 84 84 VAL HA H 1 3.925 0.01 . . . . . . 84 VAL HA . 15176 1 855 . 1 1 84 84 VAL HB H 1 1.973 0.01 . . . . . . 84 VAL HB . 15176 1 856 . 1 1 84 84 VAL HG11 H 1 0.854 0.01 . . . . . . 84 VAL QQG . 15176 1 857 . 1 1 84 84 VAL HG12 H 1 0.854 0.01 . . . . . . 84 VAL QQG . 15176 1 858 . 1 1 84 84 VAL HG13 H 1 0.854 0.01 . . . . . . 84 VAL QQG . 15176 1 859 . 1 1 84 84 VAL HG21 H 1 0.854 0.01 . . . . . . 84 VAL QQG . 15176 1 860 . 1 1 84 84 VAL HG22 H 1 0.854 0.01 . . . . . . 84 VAL QQG . 15176 1 861 . 1 1 84 84 VAL HG23 H 1 0.854 0.01 . . . . . . 84 VAL QQG . 15176 1 862 . 1 1 84 84 VAL C C 13 176.452 0.23 . . . . . . 84 VAL C . 15176 1 863 . 1 1 84 84 VAL CA C 13 62.647 0.23 . . . . . . 84 VAL CA . 15176 1 864 . 1 1 84 84 VAL CB C 13 32.585 0.23 . . . . . . 84 VAL CB . 15176 1 865 . 1 1 84 84 VAL CG1 C 13 21.044 0.23 . . . . . . 84 VAL CG1 . 15176 1 866 . 1 1 84 84 VAL CG2 C 13 20.888 0.23 . . . . . . 84 VAL CG2 . 15176 1 867 . 1 1 84 84 VAL N N 15 119.329 0.02 . . . . . . 84 VAL N . 15176 1 868 . 1 1 85 85 GLN H H 1 8.299 0.01 . . . . . . 85 GLN H . 15176 1 869 . 1 1 85 85 GLN HA H 1 4.207 0.01 . . . . . . 85 GLN HA . 15176 1 870 . 1 1 85 85 GLN HB2 H 1 1.952 0.01 . . . . . . 85 GLN HB2 . 15176 1 871 . 1 1 85 85 GLN HB3 H 1 1.905 0.01 . . . . . . 85 GLN HB3 . 15176 1 872 . 1 1 85 85 GLN HG2 H 1 2.251 0.01 . . . . . . 85 GLN QG . 15176 1 873 . 1 1 85 85 GLN HG3 H 1 2.251 0.01 . . . . . . 85 GLN QG . 15176 1 874 . 1 1 85 85 GLN C C 13 175.960 0.23 . . . . . . 85 GLN C . 15176 1 875 . 1 1 85 85 GLN CA C 13 56.187 0.23 . . . . . . 85 GLN CA . 15176 1 876 . 1 1 85 85 GLN CB C 13 29.278 0.23 . . . . . . 85 GLN CB . 15176 1 877 . 1 1 85 85 GLN CG C 13 33.773 0.23 . . . . . . 85 GLN CG . 15176 1 878 . 1 1 85 85 GLN N N 15 123.911 0.02 . . . . . . 85 GLN N . 15176 1 879 . 1 1 86 86 ARG H H 1 8.294 0.01 . . . . . . 86 ARG H . 15176 1 880 . 1 1 86 86 ARG HA H 1 4.228 0.01 . . . . . . 86 ARG HA . 15176 1 881 . 1 1 86 86 ARG HB2 H 1 1.717 0.01 . . . . . . 86 ARG HB2 . 15176 1 882 . 1 1 86 86 ARG HB3 H 1 1.676 0.01 . . . . . . 86 ARG HB3 . 15176 1 883 . 1 1 86 86 ARG HD2 H 1 3.087 0.01 . . . . . . 86 ARG QD . 15176 1 884 . 1 1 86 86 ARG HD3 H 1 3.087 0.01 . . . . . . 86 ARG QD . 15176 1 885 . 1 1 86 86 ARG HG2 H 1 1.311 0.01 . . . . . . 86 ARG QG . 15176 1 886 . 1 1 86 86 ARG HG3 H 1 1.311 0.01 . . . . . . 86 ARG QG . 15176 1 887 . 1 1 86 86 ARG C C 13 176.489 0.23 . . . . . . 86 ARG C . 15176 1 888 . 1 1 86 86 ARG CA C 13 55.762 0.23 . . . . . . 86 ARG CA . 15176 1 889 . 1 1 86 86 ARG CB C 13 30.760 0.23 . . . . . . 86 ARG CB . 15176 1 890 . 1 1 86 86 ARG CD C 13 43.379 0.23 . . . . . . 86 ARG CD . 15176 1 891 . 1 1 86 86 ARG CG C 13 27.656 0.23 . . . . . . 86 ARG CG . 15176 1 892 . 1 1 86 86 ARG N N 15 122.831 0.02 . . . . . . 86 ARG N . 15176 1 893 . 1 1 87 87 ILE H H 1 8.124 0.01 . . . . . . 87 ILE H . 15176 1 894 . 1 1 87 87 ILE HA H 1 3.983 0.01 . . . . . . 87 ILE HA . 15176 1 895 . 1 1 87 87 ILE HB H 1 1.749 0.01 . . . . . . 87 ILE HB . 15176 1 896 . 1 1 87 87 ILE HD11 H 1 0.749 0.01 . . . . . . 87 ILE QD1 . 15176 1 897 . 1 1 87 87 ILE HD12 H 1 0.749 0.01 . . . . . . 87 ILE QD1 . 15176 1 898 . 1 1 87 87 ILE HD13 H 1 0.749 0.01 . . . . . . 87 ILE QD1 . 15176 1 899 . 1 1 87 87 ILE HG12 H 1 1.050 0.01 . . . . . . 87 ILE QG1 . 15176 1 900 . 1 1 87 87 ILE HG13 H 1 1.050 0.01 . . . . . . 87 ILE QG1 . 15176 1 901 . 1 1 87 87 ILE HG21 H 1 0.788 0.01 . . . . . . 87 ILE QG2 . 15176 1 902 . 1 1 87 87 ILE HG22 H 1 0.788 0.01 . . . . . . 87 ILE QG2 . 15176 1 903 . 1 1 87 87 ILE HG23 H 1 0.788 0.01 . . . . . . 87 ILE QG2 . 15176 1 904 . 1 1 87 87 ILE C C 13 176.290 0.23 . . . . . . 87 ILE C . 15176 1 905 . 1 1 87 87 ILE CA C 13 61.442 0.23 . . . . . . 87 ILE CA . 15176 1 906 . 1 1 87 87 ILE CB C 13 38.576 0.23 . . . . . . 87 ILE CB . 15176 1 907 . 1 1 87 87 ILE CD1 C 13 12.930 0.23 . . . . . . 87 ILE CD1 . 15176 1 908 . 1 1 87 87 ILE CG1 C 13 27.474 0.23 . . . . . . 87 ILE CG1 . 15176 1 909 . 1 1 87 87 ILE CG2 C 13 17.555 0.23 . . . . . . 87 ILE CG2 . 15176 1 910 . 1 1 87 87 ILE N N 15 122.595 0.02 . . . . . . 87 ILE N . 15176 1 911 . 1 1 88 88 ALA H H 1 8.300 0.01 . . . . . . 88 ALA H . 15176 1 912 . 1 1 88 88 ALA HA H 1 4.171 0.01 . . . . . . 88 ALA HA . 15176 1 913 . 1 1 88 88 ALA HB1 H 1 1.289 0.01 . . . . . . 88 ALA QB . 15176 1 914 . 1 1 88 88 ALA HB2 H 1 1.289 0.01 . . . . . . 88 ALA QB . 15176 1 915 . 1 1 88 88 ALA HB3 H 1 1.289 0.01 . . . . . . 88 ALA QB . 15176 1 916 . 1 1 88 88 ALA C C 13 177.920 0.23 . . . . . . 88 ALA C . 15176 1 917 . 1 1 88 88 ALA CA C 13 52.923 0.23 . . . . . . 88 ALA CA . 15176 1 918 . 1 1 88 88 ALA CB C 13 18.994 0.23 . . . . . . 88 ALA CB . 15176 1 919 . 1 1 88 88 ALA N N 15 127.742 0.02 . . . . . . 88 ALA N . 15176 1 920 . 1 1 89 89 GLU H H 1 8.270 0.01 . . . . . . 89 GLU H . 15176 1 921 . 1 1 89 89 GLU HA H 1 4.129 0.01 . . . . . . 89 GLU HA . 15176 1 922 . 1 1 89 89 GLU HB2 H 1 1.931 0.01 . . . . . . 89 GLU HB2 . 15176 1 923 . 1 1 89 89 GLU HB3 H 1 1.858 0.01 . . . . . . 89 GLU HB3 . 15176 1 924 . 1 1 89 89 GLU HG2 H 1 2.147 0.01 . . . . . . 89 GLU QG . 15176 1 925 . 1 1 89 89 GLU HG3 H 1 2.147 0.01 . . . . . . 89 GLU QG . 15176 1 926 . 1 1 89 89 GLU C C 13 176.651 0.23 . . . . . . 89 GLU C . 15176 1 927 . 1 1 89 89 GLU CA C 13 56.988 0.23 . . . . . . 89 GLU CA . 15176 1 928 . 1 1 89 89 GLU CB C 13 30.212 0.23 . . . . . . 89 GLU CB . 15176 1 929 . 1 1 89 89 GLU CG C 13 36.113 0.23 . . . . . . 89 GLU CG . 15176 1 930 . 1 1 89 89 GLU N N 15 120.220 0.02 . . . . . . 89 GLU N . 15176 1 931 . 1 1 90 90 SER H H 1 8.189 0.01 . . . . . . 90 SER H . 15176 1 932 . 1 1 90 90 SER HA H 1 4.280 0.01 . . . . . . 90 SER HA . 15176 1 933 . 1 1 90 90 SER HB2 H 1 3.743 0.01 . . . . . . 90 SER QB . 15176 1 934 . 1 1 90 90 SER HB3 H 1 3.743 0.01 . . . . . . 90 SER QB . 15176 1 935 . 1 1 90 90 SER C C 13 174.578 0.23 . . . . . . 90 SER C . 15176 1 936 . 1 1 90 90 SER CA C 13 58.448 0.23 . . . . . . 90 SER CA . 15176 1 937 . 1 1 90 90 SER CB C 13 63.145 0.23 . . . . . . 90 SER CB . 15176 1 938 . 1 1 90 90 SER N N 15 116.456 0.02 . . . . . . 90 SER N . 15176 1 939 . 1 1 91 91 HIS H H 1 8.459 0.01 . . . . . . 91 HIS H . 15176 1 940 . 1 1 91 91 HIS HA H 1 4.620 0.01 . . . . . . 91 HIS HA . 15176 1 941 . 1 1 91 91 HIS HB2 H 1 3.205 0.01 . . . . . . 91 HIS HB2 . 15176 1 942 . 1 1 91 91 HIS HB3 H 1 3.074 0.01 . . . . . . 91 HIS HB3 . 15176 1 943 . 1 1 91 91 HIS C C 13 174.460 0.23 . . . . . . 91 HIS C . 15176 1 944 . 1 1 91 91 HIS CA C 13 55.466 0.23 . . . . . . 91 HIS CA . 15176 1 945 . 1 1 91 91 HIS CB C 13 28.873 0.23 . . . . . . 91 HIS CB . 15176 1 946 . 1 1 91 91 HIS N N 15 120.510 0.02 . . . . . . 91 HIS N . 15176 1 947 . 1 1 92 92 LEU H H 1 8.125 0.01 . . . . . . 92 LEU H . 15176 1 948 . 1 1 92 92 LEU HA H 1 4.212 0.01 . . . . . . 92 LEU HA . 15176 1 949 . 1 1 92 92 LEU HB2 H 1 1.529 0.01 . . . . . . 92 LEU HB2 . 15176 1 950 . 1 1 92 92 LEU HB3 H 1 1.462 0.01 . . . . . . 92 LEU HB3 . 15176 1 951 . 1 1 92 92 LEU HD11 H 1 0.775 0.01 . . . . . . 92 LEU QQD . 15176 1 952 . 1 1 92 92 LEU HD12 H 1 0.775 0.01 . . . . . . 92 LEU QQD . 15176 1 953 . 1 1 92 92 LEU HD13 H 1 0.775 0.01 . . . . . . 92 LEU QQD . 15176 1 954 . 1 1 92 92 LEU HD21 H 1 0.775 0.01 . . . . . . 92 LEU QQD . 15176 1 955 . 1 1 92 92 LEU HD22 H 1 0.775 0.01 . . . . . . 92 LEU QQD . 15176 1 956 . 1 1 92 92 LEU HD23 H 1 0.775 0.01 . . . . . . 92 LEU QQD . 15176 1 957 . 1 1 92 92 LEU HG H 1 1.402 0.01 . . . . . . 92 LEU HG . 15176 1 958 . 1 1 92 92 LEU C C 13 177.315 0.23 . . . . . . 92 LEU C . 15176 1 959 . 1 1 92 92 LEU CA C 13 55.116 0.23 . . . . . . 92 LEU CA . 15176 1 960 . 1 1 92 92 LEU CB C 13 42.147 0.23 . . . . . . 92 LEU CB . 15176 1 961 . 1 1 92 92 LEU CD1 C 13 24.796 0.23 . . . . . . 92 LEU CD1 . 15176 1 962 . 1 1 92 92 LEU CD2 C 13 23.336 0.23 . . . . . . 92 LEU CD2 . 15176 1 963 . 1 1 92 92 LEU CG C 13 26.804 0.23 . . . . . . 92 LEU CG . 15176 1 964 . 1 1 92 92 LEU N N 15 122.609 0.02 . . . . . . 92 LEU N . 15176 1 965 . 1 1 93 93 GLN H H 1 8.353 0.01 . . . . . . 93 GLN H . 15176 1 966 . 1 1 93 93 GLN HA H 1 4.291 0.01 . . . . . . 93 GLN HA . 15176 1 967 . 1 1 93 93 GLN HB2 H 1 2.015 0.01 . . . . . . 93 GLN HB2 . 15176 1 968 . 1 1 93 93 GLN HB3 H 1 1.905 0.01 . . . . . . 93 GLN HB3 . 15176 1 969 . 1 1 93 93 GLN HG2 H 1 2.238 0.01 . . . . . . 93 GLN QG . 15176 1 970 . 1 1 93 93 GLN HG3 H 1 2.238 0.01 . . . . . . 93 GLN QG . 15176 1 971 . 1 1 93 93 GLN C C 13 176.090 0.23 . . . . . . 93 GLN C . 15176 1 972 . 1 1 93 93 GLN CA C 13 55.649 0.23 . . . . . . 93 GLN CA . 15176 1 973 . 1 1 93 93 GLN CB C 13 29.360 0.23 . . . . . . 93 GLN CB . 15176 1 974 . 1 1 93 93 GLN CG C 13 33.802 0.23 . . . . . . 93 GLN CG . 15176 1 975 . 1 1 93 93 GLN N N 15 121.211 0.02 . . . . . . 93 GLN N . 15176 1 976 . 1 1 94 94 THR H H 1 8.142 0.01 . . . . . . 94 THR H . 15176 1 977 . 1 1 94 94 THR HA H 1 4.353 0.01 . . . . . . 94 THR HA . 15176 1 978 . 1 1 94 94 THR HB H 1 4.092 0.01 . . . . . . 94 THR HB . 15176 1 979 . 1 1 94 94 THR HG21 H 1 1.063 0.01 . . . . . . 94 THR QG2 . 15176 1 980 . 1 1 94 94 THR HG22 H 1 1.063 0.01 . . . . . . 94 THR QG2 . 15176 1 981 . 1 1 94 94 THR HG23 H 1 1.063 0.01 . . . . . . 94 THR QG2 . 15176 1 982 . 1 1 94 94 THR C C 13 174.541 0.23 . . . . . . 94 THR C . 15176 1 983 . 1 1 94 94 THR CA C 13 61.917 0.23 . . . . . . 94 THR CA . 15176 1 984 . 1 1 94 94 THR CB C 13 69.767 0.23 . . . . . . 94 THR CB . 15176 1 985 . 1 1 94 94 THR CG2 C 13 21.519 0.23 . . . . . . 94 THR CG2 . 15176 1 986 . 1 1 94 94 THR N N 15 116.114 0.02 . . . . . . 94 THR N . 15176 1 987 . 1 1 95 95 ILE H H 1 8.137 0.01 . . . . . . 95 ILE H . 15176 1 988 . 1 1 95 95 ILE HA H 1 4.113 0.01 . . . . . . 95 ILE HA . 15176 1 989 . 1 1 95 95 ILE HB H 1 1.780 0.01 . . . . . . 95 ILE HB . 15176 1 990 . 1 1 95 95 ILE HD11 H 1 0.671 0.01 . . . . . . 95 ILE QD1 . 15176 1 991 . 1 1 95 95 ILE HD12 H 1 0.671 0.01 . . . . . . 95 ILE QD1 . 15176 1 992 . 1 1 95 95 ILE HD13 H 1 0.671 0.01 . . . . . . 95 ILE QD1 . 15176 1 993 . 1 1 95 95 ILE HG12 H 1 1.037 0.01 . . . . . . 95 ILE QG1 . 15176 1 994 . 1 1 95 95 ILE HG13 H 1 1.037 0.01 . . . . . . 95 ILE QG1 . 15176 1 995 . 1 1 95 95 ILE HG21 H 1 0.801 0.01 . . . . . . 95 ILE QG2 . 15176 1 996 . 1 1 95 95 ILE HG22 H 1 0.801 0.01 . . . . . . 95 ILE QG2 . 15176 1 997 . 1 1 95 95 ILE HG23 H 1 0.801 0.01 . . . . . . 95 ILE QG2 . 15176 1 998 . 1 1 95 95 ILE C C 13 176.246 0.23 . . . . . . 95 ILE C . 15176 1 999 . 1 1 95 95 ILE CA C 13 61.421 0.23 . . . . . . 95 ILE CA . 15176 1 1000 . 1 1 95 95 ILE CB C 13 38.576 0.23 . . . . . . 95 ILE CB . 15176 1 1001 . 1 1 95 95 ILE CD1 C 13 12.960 0.23 . . . . . . 95 ILE CD1 . 15176 1 1002 . 1 1 95 95 ILE CG1 C 13 27.061 0.23 . . . . . . 95 ILE CG1 . 15176 1 1003 . 1 1 95 95 ILE CG2 C 13 17.578 0.23 . . . . . . 95 ILE CG2 . 15176 1 1004 . 1 1 95 95 ILE N N 15 123.018 0.02 . . . . . . 95 ILE N . 15176 1 1005 . 1 1 96 96 SER H H 1 8.313 0.01 . . . . . . 96 SER H . 15176 1 1006 . 1 1 96 96 SER HA H 1 4.348 0.01 . . . . . . 96 SER HA . 15176 1 1007 . 1 1 96 96 SER HB2 H 1 3.737 0.01 . . . . . . 96 SER QB . 15176 1 1008 . 1 1 96 96 SER HB3 H 1 3.737 0.01 . . . . . . 96 SER QB . 15176 1 1009 . 1 1 96 96 SER C C 13 174.249 0.23 . . . . . . 96 SER C . 15176 1 1010 . 1 1 96 96 SER CA C 13 58.265 0.23 . . . . . . 96 SER CA . 15176 1 1011 . 1 1 96 96 SER CB C 13 63.742 0.23 . . . . . . 96 SER CB . 15176 1 1012 . 1 1 96 96 SER N N 15 119.746 0.02 . . . . . . 96 SER N . 15176 1 1013 . 1 1 97 97 ASN H H 1 8.387 0.01 . . . . . . 97 ASN H . 15176 1 1014 . 1 1 97 97 ASN HA H 1 4.625 0.01 . . . . . . 97 ASN HA . 15176 1 1015 . 1 1 97 97 ASN HB2 H 1 2.735 0.01 . . . . . . 97 ASN HB2 . 15176 1 1016 . 1 1 97 97 ASN HB3 H 1 2.688 0.01 . . . . . . 97 ASN HB3 . 15176 1 1017 . 1 1 97 97 ASN C C 13 175.226 0.23 . . . . . . 97 ASN C . 15176 1 1018 . 1 1 97 97 ASN CA C 13 53.215 0.23 . . . . . . 97 ASN CA . 15176 1 1019 . 1 1 97 97 ASN CB C 13 38.610 0.23 . . . . . . 97 ASN CB . 15176 1 1020 . 1 1 97 97 ASN N N 15 121.088 0.02 . . . . . . 97 ASN N . 15176 1 1021 . 1 1 98 98 LEU H H 1 8.146 0.01 . . . . . . 98 LEU H . 15176 1 1022 . 1 1 98 98 LEU HA H 1 4.238 0.01 . . . . . . 98 LEU HA . 15176 1 1023 . 1 1 98 98 LEU HB2 H 1 1.514 0.01 . . . . . . 98 LEU QB . 15176 1 1024 . 1 1 98 98 LEU HB3 H 1 1.514 0.01 . . . . . . 98 LEU QB . 15176 1 1025 . 1 1 98 98 LEU HD11 H 1 0.775 0.01 . . . . . . 98 LEU QQD . 15176 1 1026 . 1 1 98 98 LEU HD12 H 1 0.775 0.01 . . . . . . 98 LEU QQD . 15176 1 1027 . 1 1 98 98 LEU HD13 H 1 0.775 0.01 . . . . . . 98 LEU QQD . 15176 1 1028 . 1 1 98 98 LEU HD21 H 1 0.775 0.01 . . . . . . 98 LEU QQD . 15176 1 1029 . 1 1 98 98 LEU HD22 H 1 0.775 0.01 . . . . . . 98 LEU QQD . 15176 1 1030 . 1 1 98 98 LEU HD23 H 1 0.775 0.01 . . . . . . 98 LEU QQD . 15176 1 1031 . 1 1 98 98 LEU HG H 1 1.415 0.01 . . . . . . 98 LEU HG . 15176 1 1032 . 1 1 98 98 LEU C C 13 177.628 0.23 . . . . . . 98 LEU C . 15176 1 1033 . 1 1 98 98 LEU CA C 13 55.387 0.23 . . . . . . 98 LEU CA . 15176 1 1034 . 1 1 98 98 LEU CB C 13 42.086 0.23 . . . . . . 98 LEU CB . 15176 1 1035 . 1 1 98 98 LEU CD1 C 13 24.979 0.23 . . . . . . 98 LEU CD1 . 15176 1 1036 . 1 1 98 98 LEU CD2 C 13 23.275 0.23 . . . . . . 98 LEU CD2 . 15176 1 1037 . 1 1 98 98 LEU CG C 13 26.865 0.23 . . . . . . 98 LEU CG . 15176 1 1038 . 1 1 98 98 LEU N N 15 122.292 0.02 . . . . . . 98 LEU N . 15176 1 1039 . 1 1 99 99 SER H H 1 8.218 0.01 . . . . . . 99 SER H . 15176 1 1040 . 1 1 99 99 SER HA H 1 4.301 0.01 . . . . . . 99 SER HA . 15176 1 1041 . 1 1 99 99 SER HB2 H 1 3.779 0.01 . . . . . . 99 SER QB . 15176 1 1042 . 1 1 99 99 SER HB3 H 1 3.779 0.01 . . . . . . 99 SER QB . 15176 1 1043 . 1 1 99 99 SER C C 13 174.746 0.23 . . . . . . 99 SER C . 15176 1 1044 . 1 1 99 99 SER CA C 13 58.631 0.23 . . . . . . 99 SER CA . 15176 1 1045 . 1 1 99 99 SER CB C 13 63.681 0.23 . . . . . . 99 SER CB . 15176 1 1046 . 1 1 99 99 SER N N 15 116.240 0.02 . . . . . . 99 SER N . 15176 1 1047 . 1 1 100 100 GLU H H 1 8.324 0.01 . . . . . . 100 GLU H . 15176 1 1048 . 1 1 100 100 GLU HA H 1 4.176 0.01 . . . . . . 100 GLU HA . 15176 1 1049 . 1 1 100 100 GLU HB2 H 1 1.973 0.01 . . . . . . 100 GLU HB2 . 15176 1 1050 . 1 1 100 100 GLU HB3 H 1 1.848 0.01 . . . . . . 100 GLU HB3 . 15176 1 1051 . 1 1 100 100 GLU HG2 H 1 2.160 0.01 . . . . . . 100 GLU QG . 15176 1 1052 . 1 1 100 100 GLU HG3 H 1 2.160 0.01 . . . . . . 100 GLU QG . 15176 1 1053 . 1 1 100 100 GLU C C 13 176.327 0.23 . . . . . . 100 GLU C . 15176 1 1054 . 1 1 100 100 GLU CA C 13 57.049 0.23 . . . . . . 100 GLU CA . 15176 1 1055 . 1 1 100 100 GLU CB C 13 29.955 0.23 . . . . . . 100 GLU CB . 15176 1 1056 . 1 1 100 100 GLU CG C 13 36.054 0.23 . . . . . . 100 GLU CG . 15176 1 1057 . 1 1 100 100 GLU N N 15 122.315 0.02 . . . . . . 100 GLU N . 15176 1 1058 . 1 1 101 101 ASN H H 1 8.324 0.01 . . . . . . 101 ASN H . 15176 1 1059 . 1 1 101 101 ASN HA H 1 4.578 0.01 . . . . . . 101 ASN HA . 15176 1 1060 . 1 1 101 101 ASN HB2 H 1 2.735 0.01 . . . . . . 101 ASN HB2 . 15176 1 1061 . 1 1 101 101 ASN HB3 H 1 2.641 0.01 . . . . . . 101 ASN HB3 . 15176 1 1062 . 1 1 101 101 ASN C C 13 174.379 0.23 . . . . . . 101 ASN C . 15176 1 1063 . 1 1 101 101 ASN CA C 13 53.336 0.23 . . . . . . 101 ASN CA . 15176 1 1064 . 1 1 101 101 ASN CB C 13 38.792 0.23 . . . . . . 101 ASN CB . 15176 1 1065 . 1 1 101 101 ASN N N 15 119.146 0.02 . . . . . . 101 ASN N . 15176 1 1066 . 1 1 102 102 GLN H H 1 8.236 0.01 . . . . . . 102 GLN H . 15176 1 1067 . 1 1 102 102 GLN HA H 1 4.202 0.01 . . . . . . 102 GLN HA . 15176 1 1068 . 1 1 102 102 GLN HB2 H 1 2.015 0.01 . . . . . . 102 GLN HB2 . 15176 1 1069 . 1 1 102 102 GLN HB3 H 1 1.884 0.01 . . . . . . 102 GLN HB3 . 15176 1 1070 . 1 1 102 102 GLN HG2 H 1 2.199 0.01 . . . . . . 102 GLN QG . 15176 1 1071 . 1 1 102 102 GLN HG3 H 1 2.199 0.01 . . . . . . 102 GLN QG . 15176 1 1072 . 1 1 102 102 GLN C C 13 175.761 0.23 . . . . . . 102 GLN C . 15176 1 1073 . 1 1 102 102 GLN CA C 13 55.892 0.23 . . . . . . 102 GLN CA . 15176 1 1074 . 1 1 102 102 GLN CB C 13 29.360 0.23 . . . . . . 102 GLN CB . 15176 1 1075 . 1 1 102 102 GLN CG C 13 33.711 0.23 . . . . . . 102 GLN CG . 15176 1 1076 . 1 1 102 102 GLN N N 15 120.904 0.02 . . . . . . 102 GLN N . 15176 1 1077 . 1 1 103 103 ALA H H 1 8.300 0.01 . . . . . . 103 ALA H . 15176 1 1078 . 1 1 103 103 ALA HA H 1 4.301 0.01 . . . . . . 103 ALA HA . 15176 1 1079 . 1 1 103 103 ALA HB1 H 1 1.300 0.01 . . . . . . 103 ALA QB . 15176 1 1080 . 1 1 103 103 ALA HB2 H 1 1.300 0.01 . . . . . . 103 ALA QB . 15176 1 1081 . 1 1 103 103 ALA HB3 H 1 1.300 0.01 . . . . . . 103 ALA QB . 15176 1 1082 . 1 1 103 103 ALA C C 13 177.866 0.23 . . . . . . 103 ALA C . 15176 1 1083 . 1 1 103 103 ALA CA C 13 52.862 0.23 . . . . . . 103 ALA CA . 15176 1 1084 . 1 1 103 103 ALA CB C 13 19.179 0.23 . . . . . . 103 ALA CB . 15176 1 1085 . 1 1 103 103 ALA N N 15 125.308 0.02 . . . . . . 103 ALA N . 15176 1 1086 . 1 1 104 104 SER H H 1 8.241 0.01 . . . . . . 104 SER H . 15176 1 1087 . 1 1 104 104 SER HA H 1 4.327 0.01 . . . . . . 104 SER HA . 15176 1 1088 . 1 1 104 104 SER HB2 H 1 3.805 0.01 . . . . . . 104 SER HB2 . 15176 1 1089 . 1 1 104 104 SER HB3 H 1 3.763 0.01 . . . . . . 104 SER HB3 . 15176 1 1090 . 1 1 104 104 SER C C 13 174.713 0.23 . . . . . . 104 SER C . 15176 1 1091 . 1 1 104 104 SER CA C 13 58.387 0.23 . . . . . . 104 SER CA . 15176 1 1092 . 1 1 104 104 SER CB C 13 63.700 0.23 . . . . . . 104 SER CB . 15176 1 1093 . 1 1 104 104 SER N N 15 115.415 0.02 . . . . . . 104 SER N . 15176 1 1094 . 1 1 105 105 GLU H H 1 8.417 0.01 . . . . . . 105 GLU H . 15176 1 1095 . 1 1 105 105 GLU HA H 1 4.218 0.01 . . . . . . 105 GLU HA . 15176 1 1096 . 1 1 105 105 GLU HB2 H 1 1.989 0.01 . . . . . . 105 GLU HB2 . 15176 1 1097 . 1 1 105 105 GLU HB3 H 1 1.853 0.01 . . . . . . 105 GLU HB3 . 15176 1 1098 . 1 1 105 105 GLU HG2 H 1 2.186 0.01 . . . . . . 105 GLU QG . 15176 1 1099 . 1 1 105 105 GLU HG3 H 1 2.186 0.01 . . . . . . 105 GLU QG . 15176 1 1100 . 1 1 105 105 GLU C C 13 176.576 0.23 . . . . . . 105 GLU C . 15176 1 1101 . 1 1 105 105 GLU CA C 13 56.805 0.23 . . . . . . 105 GLU CA . 15176 1 1102 . 1 1 105 105 GLU CB C 13 29.969 0.23 . . . . . . 105 GLU CB . 15176 1 1103 . 1 1 105 105 GLU CG C 13 35.866 0.23 . . . . . . 105 GLU CG . 15176 1 1104 . 1 1 105 105 GLU N N 15 122.687 0.02 . . . . . . 105 GLU N . 15176 1 1105 . 1 1 106 106 GLU H H 1 8.306 0.01 . . . . . . 106 GLU H . 15176 1 1106 . 1 1 106 106 GLU HA H 1 4.158 0.01 . . . . . . 106 GLU HA . 15176 1 1107 . 1 1 106 106 GLU HB2 H 1 1.889 0.01 . . . . . . 106 GLU HB2 . 15176 1 1108 . 1 1 106 106 GLU HB3 H 1 1.853 0.01 . . . . . . 106 GLU HB3 . 15176 1 1109 . 1 1 106 106 GLU HG2 H 1 2.186 0.01 . . . . . . 106 GLU QG . 15176 1 1110 . 1 1 106 106 GLU HG3 H 1 2.186 0.01 . . . . . . 106 GLU QG . 15176 1 1111 . 1 1 106 106 GLU C C 13 176.603 0.23 . . . . . . 106 GLU C . 15176 1 1112 . 1 1 106 106 GLU CA C 13 56.485 0.23 . . . . . . 106 GLU CA . 15176 1 1113 . 1 1 106 106 GLU CB C 13 30.017 0.23 . . . . . . 106 GLU CB . 15176 1 1114 . 1 1 106 106 GLU N N 15 121.049 0.02 . . . . . . 106 GLU N . 15176 1 1115 . 1 1 107 107 GLU HA H 1 4.171 0.01 . . . . . . 107 GLU HA . 15176 1 1116 . 1 1 107 107 GLU HB2 H 1 1.952 0.01 . . . . . . 107 GLU HB2 . 15176 1 1117 . 1 1 107 107 GLU HB3 H 1 1.858 0.01 . . . . . . 107 GLU HB3 . 15176 1 1118 . 1 1 107 107 GLU C C 13 176.452 0.23 . . . . . . 107 GLU C . 15176 1 1119 . 1 1 107 107 GLU CA C 13 55.649 0.23 . . . . . . 107 GLU CA . 15176 1 1120 . 1 1 107 107 GLU CB C 13 30.263 0.23 . . . . . . 107 GLU CB . 15176 1 1121 . 1 1 107 107 GLU CG C 13 35.811 0.23 . . . . . . 107 GLU CG . 15176 1 1122 . 1 1 108 108 ASP H H 1 8.325 0.01 . . . . . . 108 ASP H . 15176 1 1123 . 1 1 108 108 ASP HA H 1 4.494 0.01 . . . . . . 108 ASP HA . 15176 1 1124 . 1 1 108 108 ASP HB2 H 1 2.594 0.01 . . . . . . 108 ASP QB . 15176 1 1125 . 1 1 108 108 ASP HB3 H 1 2.594 0.01 . . . . . . 108 ASP QB . 15176 1 1126 . 1 1 108 108 ASP C C 13 176.608 0.23 . . . . . . 108 ASP C . 15176 1 1127 . 1 1 108 108 ASP CA C 13 54.336 0.23 . . . . . . 108 ASP CA . 15176 1 1128 . 1 1 108 108 ASP CB C 13 40.854 0.23 . . . . . . 108 ASP CB . 15176 1 1129 . 1 1 108 108 ASP N N 15 121.464 0.02 . . . . . . 108 ASP N . 15176 1 1130 . 1 1 109 109 GLU H H 1 8.383 0.01 . . . . . . 109 GLU H . 15176 1 1131 . 1 1 109 109 GLU HA H 1 4.145 0.01 . . . . . . 109 GLU HA . 15176 1 1132 . 1 1 109 109 GLU HB2 H 1 1.973 0.01 . . . . . . 109 GLU HB2 . 15176 1 1133 . 1 1 109 109 GLU HB3 H 1 1.884 0.01 . . . . . . 109 GLU HB3 . 15176 1 1134 . 1 1 109 109 GLU HG2 H 1 2.225 0.01 . . . . . . 109 GLU QG . 15176 1 1135 . 1 1 109 109 GLU HG3 H 1 2.225 0.01 . . . . . . 109 GLU QG . 15176 1 1136 . 1 1 109 109 GLU C C 13 176.894 0.23 . . . . . . 109 GLU C . 15176 1 1137 . 1 1 109 109 GLU CA C 13 57.292 0.23 . . . . . . 109 GLU CA . 15176 1 1138 . 1 1 109 109 GLU CB C 13 29.786 0.23 . . . . . . 109 GLU CB . 15176 1 1139 . 1 1 109 109 GLU CG C 13 35.750 0.23 . . . . . . 109 GLU CG . 15176 1 1140 . 1 1 109 109 GLU N N 15 121.401 0.02 . . . . . . 109 GLU N . 15176 1 1141 . 1 1 110 110 LEU H H 1 8.186 0.01 . . . . . . 110 LEU H . 15176 1 1142 . 1 1 110 110 LEU HA H 1 4.197 0.01 . . . . . . 110 LEU HA . 15176 1 1143 . 1 1 110 110 LEU HB2 H 1 1.629 0.01 . . . . . . 110 LEU HB2 . 15176 1 1144 . 1 1 110 110 LEU HB3 H 1 1.477 0.01 . . . . . . 110 LEU HB3 . 15176 1 1145 . 1 1 110 110 LEU HD11 H 1 0.801 0.01 . . . . . . 110 LEU QQD . 15176 1 1146 . 1 1 110 110 LEU HD12 H 1 0.801 0.01 . . . . . . 110 LEU QQD . 15176 1 1147 . 1 1 110 110 LEU HD13 H 1 0.801 0.01 . . . . . . 110 LEU QQD . 15176 1 1148 . 1 1 110 110 LEU HD21 H 1 0.801 0.01 . . . . . . 110 LEU QQD . 15176 1 1149 . 1 1 110 110 LEU HD22 H 1 0.801 0.01 . . . . . . 110 LEU QQD . 15176 1 1150 . 1 1 110 110 LEU HD23 H 1 0.801 0.01 . . . . . . 110 LEU QQD . 15176 1 1151 . 1 1 110 110 LEU HG H 1 1.415 0.01 . . . . . . 110 LEU HG . 15176 1 1152 . 1 1 110 110 LEU C C 13 178.352 0.23 . . . . . . 110 LEU C . 15176 1 1153 . 1 1 110 110 LEU CA C 13 55.466 0.23 . . . . . . 110 LEU CA . 15176 1 1154 . 1 1 110 110 LEU CB C 13 42.024 0.23 . . . . . . 110 LEU CB . 15176 1 1155 . 1 1 110 110 LEU CD1 C 13 25.029 0.23 . . . . . . 110 LEU CD1 . 15176 1 1156 . 1 1 110 110 LEU CD2 C 13 23.120 0.23 . . . . . . 110 LEU CD2 . 15176 1 1157 . 1 1 110 110 LEU CG C 13 26.814 0.23 . . . . . . 110 LEU CG . 15176 1 1158 . 1 1 110 110 LEU N N 15 121.525 0.02 . . . . . . 110 LEU N . 15176 1 1159 . 1 1 111 111 GLY H H 1 8.201 0.01 . . . . . . 111 GLY H . 15176 1 1160 . 1 1 111 111 GLY HA2 H 1 3.810 0.01 . . . . . . 111 GLY QA . 15176 1 1161 . 1 1 111 111 GLY HA3 H 1 3.810 0.01 . . . . . . 111 GLY QA . 15176 1 1162 . 1 1 111 111 GLY C C 13 174.578 0.23 . . . . . . 111 GLY C . 15176 1 1163 . 1 1 111 111 GLY CA C 13 45.719 0.23 . . . . . . 111 GLY CA . 15176 1 1164 . 1 1 111 111 GLY N N 15 108.905 0.02 . . . . . . 111 GLY N . 15176 1 1165 . 1 1 112 112 GLU H H 1 8.201 0.01 . . . . . . 112 GLU H . 15176 1 1166 . 1 1 112 112 GLU HA H 1 4.139 0.01 . . . . . . 112 GLU HA . 15176 1 1167 . 1 1 112 112 GLU HB2 H 1 1.937 0.01 . . . . . . 112 GLU HB2 . 15176 1 1168 . 1 1 112 112 GLU HB3 H 1 1.863 0.01 . . . . . . 112 GLU HB3 . 15176 1 1169 . 1 1 112 112 GLU HG2 H 1 2.147 0.01 . . . . . . 112 GLU QG . 15176 1 1170 . 1 1 112 112 GLU HG3 H 1 2.147 0.01 . . . . . . 112 GLU QG . 15176 1 1171 . 1 1 112 112 GLU C C 13 176.802 0.23 . . . . . . 112 GLU C . 15176 1 1172 . 1 1 112 112 GLU CA C 13 57.048 0.23 . . . . . . 112 GLU CA . 15176 1 1173 . 1 1 112 112 GLU CB C 13 30.030 0.23 . . . . . . 112 GLU CB . 15176 1 1174 . 1 1 112 112 GLU CG C 13 35.805 0.23 . . . . . . 112 GLU CG . 15176 1 1175 . 1 1 112 112 GLU N N 15 120.720 0.02 . . . . . . 112 GLU N . 15176 1 1176 . 1 1 113 113 LEU H H 1 8.169 0.01 . . . . . . 113 LEU H . 15176 1 1177 . 1 1 113 113 LEU HA H 1 4.186 0.01 . . . . . . 113 LEU HA . 15176 1 1178 . 1 1 113 113 LEU HB2 H 1 1.576 0.01 . . . . . . 113 LEU HB2 . 15176 1 1179 . 1 1 113 113 LEU HB3 H 1 1.451 0.01 . . . . . . 113 LEU HB3 . 15176 1 1180 . 1 1 113 113 LEU HD11 H 1 0.828 0.01 . . . . . . 113 LEU QQD . 15176 1 1181 . 1 1 113 113 LEU HD12 H 1 0.828 0.01 . . . . . . 113 LEU QQD . 15176 1 1182 . 1 1 113 113 LEU HD13 H 1 0.828 0.01 . . . . . . 113 LEU QQD . 15176 1 1183 . 1 1 113 113 LEU HD21 H 1 0.828 0.01 . . . . . . 113 LEU QQD . 15176 1 1184 . 1 1 113 113 LEU HD22 H 1 0.828 0.01 . . . . . . 113 LEU QQD . 15176 1 1185 . 1 1 113 113 LEU HD23 H 1 0.828 0.01 . . . . . . 113 LEU QQD . 15176 1 1186 . 1 1 113 113 LEU HG H 1 1.389 0.01 . . . . . . 113 LEU HG . 15176 1 1187 . 1 1 113 113 LEU C C 13 177.693 0.23 . . . . . . 113 LEU C . 15176 1 1188 . 1 1 113 113 LEU CA C 13 55.442 0.23 . . . . . . 113 LEU CA . 15176 1 1189 . 1 1 113 113 LEU CB C 13 40.801 0.23 . . . . . . 113 LEU CB . 15176 1 1190 . 1 1 113 113 LEU CD1 C 13 24.979 0.23 . . . . . . 113 LEU CD1 . 15176 1 1191 . 1 1 113 113 LEU CD2 C 13 23.397 0.23 . . . . . . 113 LEU CD2 . 15176 1 1192 . 1 1 113 113 LEU CG C 13 26.865 0.23 . . . . . . 113 LEU CG . 15176 1 1193 . 1 1 113 113 LEU N N 15 122.251 0.02 . . . . . . 113 LEU N . 15176 1 1194 . 1 1 114 114 ARG H H 1 8.134 0.01 . . . . . . 114 ARG H . 15176 1 1195 . 1 1 114 114 ARG HA H 1 4.150 0.01 . . . . . . 114 ARG HA . 15176 1 1196 . 1 1 114 114 ARG HB2 H 1 1.691 0.01 . . . . . . 114 ARG QB . 15176 1 1197 . 1 1 114 114 ARG HB3 H 1 1.691 0.01 . . . . . . 114 ARG QB . 15176 1 1198 . 1 1 114 114 ARG HD2 H 1 3.048 0.01 . . . . . . 114 ARG QD . 15176 1 1199 . 1 1 114 114 ARG HD3 H 1 3.048 0.01 . . . . . . 114 ARG QD . 15176 1 1200 . 1 1 114 114 ARG HG2 H 1 1.520 0.01 . . . . . . 114 ARG QG . 15176 1 1201 . 1 1 114 114 ARG HG3 H 1 1.520 0.01 . . . . . . 114 ARG QG . 15176 1 1202 . 1 1 114 114 ARG C C 13 176.646 0.23 . . . . . . 114 ARG C . 15176 1 1203 . 1 1 114 114 ARG CA C 13 56.562 0.23 . . . . . . 114 ARG CA . 15176 1 1204 . 1 1 114 114 ARG CB C 13 30.821 0.23 . . . . . . 114 ARG CB . 15176 1 1205 . 1 1 114 114 ARG CD C 13 43.194 0.23 . . . . . . 114 ARG CD . 15176 1 1206 . 1 1 114 114 ARG CG C 13 27.307 0.23 . . . . . . 114 ARG CG . 15176 1 1207 . 1 1 114 114 ARG N N 15 121.587 0.02 . . . . . . 114 ARG N . 15176 1 1208 . 1 1 115 115 GLU H H 1 8.270 0.01 . . . . . . 115 GLU H . 15176 1 1209 . 1 1 115 115 GLU HA H 1 4.134 0.01 . . . . . . 115 GLU HA . 15176 1 1210 . 1 1 115 115 GLU HB2 H 1 1.947 0.01 . . . . . . 115 GLU HB2 . 15176 1 1211 . 1 1 115 115 GLU HB3 H 1 1.853 0.01 . . . . . . 115 GLU HB3 . 15176 1 1212 . 1 1 115 115 GLU HG2 H 1 2.173 0.01 . . . . . . 115 GLU QG . 15176 1 1213 . 1 1 115 115 GLU HG3 H 1 2.173 0.01 . . . . . . 115 GLU QG . 15176 1 1214 . 1 1 115 115 GLU C C 13 176.570 0.23 . . . . . . 115 GLU C . 15176 1 1215 . 1 1 115 115 GLU CA C 13 56.805 0.23 . . . . . . 115 GLU CA . 15176 1 1216 . 1 1 115 115 GLU CB C 13 29.786 0.23 . . . . . . 115 GLU CB . 15176 1 1217 . 1 1 115 115 GLU CG C 13 36.054 0.23 . . . . . . 115 GLU CG . 15176 1 1218 . 1 1 115 115 GLU N N 15 121.236 0.02 . . . . . . 115 GLU N . 15176 1 1219 . 1 1 116 116 LEU H H 1 8.104 0.01 . . . . . . 116 LEU H . 15176 1 1220 . 1 1 116 116 LEU HA H 1 4.218 0.01 . . . . . . 116 LEU HA . 15176 1 1221 . 1 1 116 116 LEU HB2 H 1 1.582 0.01 . . . . . . 116 LEU HB2 . 15176 1 1222 . 1 1 116 116 LEU HB3 H 1 1.482 0.01 . . . . . . 116 LEU HB3 . 15176 1 1223 . 1 1 116 116 LEU HD11 H 1 0.762 0.01 . . . . . . 116 LEU QQD . 15176 1 1224 . 1 1 116 116 LEU HD12 H 1 0.762 0.01 . . . . . . 116 LEU QQD . 15176 1 1225 . 1 1 116 116 LEU HD13 H 1 0.762 0.01 . . . . . . 116 LEU QQD . 15176 1 1226 . 1 1 116 116 LEU HD21 H 1 0.762 0.01 . . . . . . 116 LEU QQD . 15176 1 1227 . 1 1 116 116 LEU HD22 H 1 0.762 0.01 . . . . . . 116 LEU QQD . 15176 1 1228 . 1 1 116 116 LEU HD23 H 1 0.762 0.01 . . . . . . 116 LEU QQD . 15176 1 1229 . 1 1 116 116 LEU HG H 1 1.402 0.01 . . . . . . 116 LEU HG . 15176 1 1230 . 1 1 116 116 LEU C C 13 177.747 0.23 . . . . . . 116 LEU C . 15176 1 1231 . 1 1 116 116 LEU CA C 13 55.229 0.23 . . . . . . 116 LEU CA . 15176 1 1232 . 1 1 116 116 LEU CB C 13 42.271 0.23 . . . . . . 116 LEU CB . 15176 1 1233 . 1 1 116 116 LEU CD1 C 13 24.979 0.23 . . . . . . 116 LEU CD1 . 15176 1 1234 . 1 1 116 116 LEU CD2 C 13 23.275 0.23 . . . . . . 116 LEU CD2 . 15176 1 1235 . 1 1 116 116 LEU CG C 13 26.865 0.23 . . . . . . 116 LEU CG . 15176 1 1236 . 1 1 116 116 LEU N N 15 122.365 0.02 . . . . . . 116 LEU N . 15176 1 1237 . 1 1 117 117 GLY H H 1 8.159 0.01 . . . . . . 117 GLY H . 15176 1 1238 . 1 1 117 117 GLY HA2 H 1 3.752 0.01 . . . . . . 117 GLY QA . 15176 1 1239 . 1 1 117 117 GLY HA3 H 1 3.752 0.01 . . . . . . 117 GLY QA . 15176 1 1240 . 1 1 117 117 GLY C C 13 173.362 0.23 . . . . . . 117 GLY C . 15176 1 1241 . 1 1 117 117 GLY CA C 13 45.022 0.23 . . . . . . 117 GLY CA . 15176 1 1242 . 1 1 117 117 GLY N N 15 108.406 0.02 . . . . . . 117 GLY N . 15176 1 1243 . 1 1 118 118 TYR H H 1 7.848 0.01 . . . . . . 118 TYR H . 15176 1 1244 . 1 1 118 118 TYR HA H 1 4.684 0.01 . . . . . . 118 TYR HA . 15176 1 1245 . 1 1 118 118 TYR HB2 H 1 2.946 0.01 . . . . . . 118 TYR QB . 15176 1 1246 . 1 1 118 118 TYR HB3 H 1 2.751 0.01 . . . . . . 118 TYR QB . 15176 1 1247 . 1 1 118 118 TYR C C 13 173.971 0.23 . . . . . . 118 TYR C . 15176 1 1248 . 1 1 118 118 TYR CA C 13 55.669 0.23 . . . . . . 118 TYR CA . 15176 1 1249 . 1 1 118 118 TYR CB C 13 37.887 0.23 . . . . . . 118 TYR CB . 15176 1 1250 . 1 1 118 118 TYR N N 15 120.759 0.02 . . . . . . 118 TYR N . 15176 1 1251 . 1 1 119 119 PRO HA H 1 4.327 0.01 . . . . . . 119 PRO HA . 15176 1 1252 . 1 1 119 119 PRO HB2 H 1 2.151 0.01 . . . . . . 119 PRO HB2 . 15176 1 1253 . 1 1 119 119 PRO HB3 H 1 1.863 0.01 . . . . . . 119 PRO HB3 . 15176 1 1254 . 1 1 119 119 PRO C C 13 176.047 0.23 . . . . . . 119 PRO C . 15176 1 1255 . 1 1 119 119 PRO CA C 13 63.560 0.23 . . . . . . 119 PRO CA . 15176 1 1256 . 1 1 119 119 PRO CB C 13 31.673 0.23 . . . . . . 119 PRO CB . 15176 1 1257 . 1 1 119 119 PRO CD C 13 50.598 0.23 . . . . . . 119 PRO CD . 15176 1 1258 . 1 1 119 119 PRO CG C 13 27.474 0.23 . . . . . . 119 PRO CG . 15176 1 1259 . 1 1 120 120 GLN H H 1 7.983 0.01 . . . . . . 120 GLN H . 15176 1 1260 . 1 1 120 120 GLN HA H 1 4.041 0.01 . . . . . . 120 GLN HA . 15176 1 1261 . 1 1 120 120 GLN HB2 H 1 2.003 0.01 . . . . . . 120 GLN HB2 . 15176 1 1262 . 1 1 120 120 GLN HB3 H 1 1.794 0.01 . . . . . . 120 GLN HB3 . 15176 1 1263 . 1 1 120 120 GLN HG2 H 1 2.225 0.01 . . . . . . 120 GLN QG . 15176 1 1264 . 1 1 120 120 GLN HG3 H 1 2.225 0.01 . . . . . . 120 GLN QG . 15176 1 1265 . 1 1 120 120 GLN C C 13 175.469 0.23 . . . . . . 120 GLN C . 15176 1 1266 . 1 1 120 120 GLN CA C 13 57.292 0.23 . . . . . . 120 GLN CA . 15176 1 1267 . 1 1 120 120 GLN CB C 13 30.760 0.23 . . . . . . 120 GLN CB . 15176 1 1268 . 1 1 120 120 GLN N N 15 126.000 0.02 . . . . . . 120 GLN N . 15176 1 stop_ save_