data_17505 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17505 _Entry.Title ; 1H, 13C, and 15N Chemical Shift Assignments for human muscle Acylphosphatase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-03-03 _Entry.Accession_date 2011-03-03 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Giuliana Fusco . . . 17505 2 Shang-Te Hsu . D. . 17505 3 Francesco Bemporad . . . 17505 4 Michele Vendruscolo . . . 17505 5 Fabrizio Chiti . . . 17505 6 Christopher Dobson . M. . 17505 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17505 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 386 17505 '15N chemical shifts' 103 17505 '1H chemical shifts' 588 17505 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2012-04-06 2011-03-03 update BMRB 'update entry citation' 17505 1 . . 2011-06-07 2011-03-03 original author 'original release' 17505 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 17505 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21643968 _Citation.Full_citation . _Citation.Title '(1)H, (13)C and (15)N resonance assignments of human muscle acylphosphatase.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 6 _Citation.Journal_issue 1 _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 27 _Citation.Page_last 29 _Citation.Year 2012 _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 Giuliana Fusco . . . 17505 1 2 Alfonso 'De Simone' . . . 17505 1 3 'Shang-Te Danny' Hsu . . . 17505 1 4 Francesco Bemporad . . . 17505 1 5 Michele Vendruscolo . . . 17505 1 6 Fabrizio Chiti . . . 17505 1 7 Christopher Dobson . M. . 17505 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17505 _Assembly.ID 1 _Assembly.Name 'human muscle acylphosphatase polypeptide' _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 11124 _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 'human muscle acylphosphatase polypeptide' 1 $human_muscle_acylphosphatase_polypeptide A . yes native no no . . . 17505 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_human_muscle_acylphosphatase_polypeptide _Entity.Sf_category entity _Entity.Sf_framecode human_muscle_acylphosphatase_polypeptide _Entity.Entry_ID 17505 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name human_muscle_acylphosphatase_polypeptide _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 ; MSTAQSLKSVDYEVFGRVQG VSFRMYTEDEARKIGVVGWV KNTSKGTVTGQVQGPEDKVN SMKSWLSKVGSPSSRIDRTN FSNEKTISKLEYSNFSIRY ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 99 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no EMBL CAA58988 . "acylphosphatase [Homo sapiens]" . . . . . 100.00 99 98.99 98.99 2.49e-63 . . . . 17505 1 2 no GB AAH12290 . "Acylphosphatase 2, muscle type [Homo sapiens]" . . . . . 100.00 99 98.99 98.99 2.49e-63 . . . . 17505 1 3 no GB AAY14721 . "unknown [Homo sapiens]" . . . . . 61.62 61 98.36 98.36 6.50e-34 . . . . 17505 1 4 no GB AIC48219 . "ACYP2, partial [synthetic construct]" . . . . . 100.00 99 98.99 98.99 2.49e-63 . . . . 17505 1 5 no GB EAX00154 . "acylphosphatase 2, muscle type, isoform CRA_c [Homo sapiens]" . . . . . 100.00 127 98.99 98.99 3.84e-64 . . . . 17505 1 6 no PRF 2122227B . acylphosphatase . . . . . 78.79 78 97.44 98.72 1.12e-46 . . . . 17505 1 7 no REF NP_612457 . "acylphosphatase-2 [Homo sapiens]" . . . . . 100.00 99 98.99 98.99 2.49e-63 . . . . 17505 1 8 no REF XP_003262429 . "PREDICTED: acylphosphatase-2 isoform X1 [Nomascus leucogenys]" . . . . . 100.00 127 96.97 97.98 4.81e-63 . . . . 17505 1 9 no REF XP_003830881 . "PREDICTED: acylphosphatase-2, partial [Pan paniscus]" . . . . . 80.81 85 98.75 98.75 9.73e-49 . . . . 17505 1 10 no REF XP_004029284 . "PREDICTED: acylphosphatase-2 [Gorilla gorilla gorilla]" . . . . . 100.00 127 97.98 98.99 2.01e-63 . . . . 17505 1 11 no REF XP_009440741 . "PREDICTED: acylphosphatase-2 isoform X1 [Pan troglodytes]" . . . . . 79.80 170 98.73 98.73 9.47e-48 . . . . 17505 1 12 no SP P14621 . "RecName: Full=Acylphosphatase-2; AltName: Full=Acylphosphatase, muscle type isozyme; AltName: Full=Acylphosphate phosphohydrola" . . . . . 100.00 99 98.99 98.99 2.49e-63 . . . . 17505 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID Hydrolase 17505 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 . MET . 17505 1 2 . SER . 17505 1 3 . THR . 17505 1 4 . ALA . 17505 1 5 . GLN . 17505 1 6 . SER . 17505 1 7 . LEU . 17505 1 8 . LYS . 17505 1 9 . SER . 17505 1 10 . VAL . 17505 1 11 . ASP . 17505 1 12 . TYR . 17505 1 13 . GLU . 17505 1 14 . VAL . 17505 1 15 . PHE . 17505 1 16 . GLY . 17505 1 17 . ARG . 17505 1 18 . VAL . 17505 1 19 . GLN . 17505 1 20 . GLY . 17505 1 21 . VAL . 17505 1 22 . SER . 17505 1 23 . PHE . 17505 1 24 . ARG . 17505 1 25 . MET . 17505 1 26 . TYR . 17505 1 27 . THR . 17505 1 28 . GLU . 17505 1 29 . ASP . 17505 1 30 . GLU . 17505 1 31 . ALA . 17505 1 32 . ARG . 17505 1 33 . LYS . 17505 1 34 . ILE . 17505 1 35 . GLY . 17505 1 36 . VAL . 17505 1 37 . VAL . 17505 1 38 . GLY . 17505 1 39 . TRP . 17505 1 40 . VAL . 17505 1 41 . LYS . 17505 1 42 . ASN . 17505 1 43 . THR . 17505 1 44 . SER . 17505 1 45 . LYS . 17505 1 46 . GLY . 17505 1 47 . THR . 17505 1 48 . VAL . 17505 1 49 . THR . 17505 1 50 . GLY . 17505 1 51 . GLN . 17505 1 52 . VAL . 17505 1 53 . GLN . 17505 1 54 . GLY . 17505 1 55 . PRO . 17505 1 56 . GLU . 17505 1 57 . ASP . 17505 1 58 . LYS . 17505 1 59 . VAL . 17505 1 60 . ASN . 17505 1 61 . SER . 17505 1 62 . MET . 17505 1 63 . LYS . 17505 1 64 . SER . 17505 1 65 . TRP . 17505 1 66 . LEU . 17505 1 67 . SER . 17505 1 68 . LYS . 17505 1 69 . VAL . 17505 1 70 . GLY . 17505 1 71 . SER . 17505 1 72 . PRO . 17505 1 73 . SER . 17505 1 74 . SER . 17505 1 75 . ARG . 17505 1 76 . ILE . 17505 1 77 . ASP . 17505 1 78 . ARG . 17505 1 79 . THR . 17505 1 80 . ASN . 17505 1 81 . PHE . 17505 1 82 . SER . 17505 1 83 . ASN . 17505 1 84 . GLU . 17505 1 85 . LYS . 17505 1 86 . THR . 17505 1 87 . ILE . 17505 1 88 . SER . 17505 1 89 . LYS . 17505 1 90 . LEU . 17505 1 91 . GLU . 17505 1 92 . TYR . 17505 1 93 . SER . 17505 1 94 . ASN . 17505 1 95 . PHE . 17505 1 96 . SER . 17505 1 97 . ILE . 17505 1 98 . ARG . 17505 1 99 . TYR . 17505 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 . MET 1 1 17505 1 . SER 2 2 17505 1 . THR 3 3 17505 1 . ALA 4 4 17505 1 . GLN 5 5 17505 1 . SER 6 6 17505 1 . LEU 7 7 17505 1 . LYS 8 8 17505 1 . SER 9 9 17505 1 . VAL 10 10 17505 1 . ASP 11 11 17505 1 . TYR 12 12 17505 1 . GLU 13 13 17505 1 . VAL 14 14 17505 1 . PHE 15 15 17505 1 . GLY 16 16 17505 1 . ARG 17 17 17505 1 . VAL 18 18 17505 1 . GLN 19 19 17505 1 . GLY 20 20 17505 1 . VAL 21 21 17505 1 . SER 22 22 17505 1 . PHE 23 23 17505 1 . ARG 24 24 17505 1 . MET 25 25 17505 1 . TYR 26 26 17505 1 . THR 27 27 17505 1 . GLU 28 28 17505 1 . ASP 29 29 17505 1 . GLU 30 30 17505 1 . ALA 31 31 17505 1 . ARG 32 32 17505 1 . LYS 33 33 17505 1 . ILE 34 34 17505 1 . GLY 35 35 17505 1 . VAL 36 36 17505 1 . VAL 37 37 17505 1 . GLY 38 38 17505 1 . TRP 39 39 17505 1 . VAL 40 40 17505 1 . LYS 41 41 17505 1 . ASN 42 42 17505 1 . THR 43 43 17505 1 . SER 44 44 17505 1 . LYS 45 45 17505 1 . GLY 46 46 17505 1 . THR 47 47 17505 1 . VAL 48 48 17505 1 . THR 49 49 17505 1 . GLY 50 50 17505 1 . GLN 51 51 17505 1 . VAL 52 52 17505 1 . GLN 53 53 17505 1 . GLY 54 54 17505 1 . PRO 55 55 17505 1 . GLU 56 56 17505 1 . ASP 57 57 17505 1 . LYS 58 58 17505 1 . VAL 59 59 17505 1 . ASN 60 60 17505 1 . SER 61 61 17505 1 . MET 62 62 17505 1 . LYS 63 63 17505 1 . SER 64 64 17505 1 . TRP 65 65 17505 1 . LEU 66 66 17505 1 . SER 67 67 17505 1 . LYS 68 68 17505 1 . VAL 69 69 17505 1 . GLY 70 70 17505 1 . SER 71 71 17505 1 . PRO 72 72 17505 1 . SER 73 73 17505 1 . SER 74 74 17505 1 . ARG 75 75 17505 1 . ILE 76 76 17505 1 . ASP 77 77 17505 1 . ARG 78 78 17505 1 . THR 79 79 17505 1 . ASN 80 80 17505 1 . PHE 81 81 17505 1 . SER 82 82 17505 1 . ASN 83 83 17505 1 . GLU 84 84 17505 1 . LYS 85 85 17505 1 . THR 86 86 17505 1 . ILE 87 87 17505 1 . SER 88 88 17505 1 . LYS 89 89 17505 1 . LEU 90 90 17505 1 . GLU 91 91 17505 1 . TYR 92 92 17505 1 . SER 93 93 17505 1 . ASN 94 94 17505 1 . PHE 95 95 17505 1 . SER 96 96 17505 1 . ILE 97 97 17505 1 . ARG 98 98 17505 1 . TYR 99 99 17505 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 17505 _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 $human_muscle_acylphosphatase_polypeptide . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 17505 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 17505 _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 $human_muscle_acylphosphatase_polypeptide . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pGEX-2t . . . . . . 17505 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17505 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'human muscle acylphosphatase polypeptide' '[U-95% 13C; U-95% 15N]' . . 1 $human_muscle_acylphosphatase_polypeptide . . 250 . . uM . . . . 17505 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 17505 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17505 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17505 1 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 17505 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5.5 . pH 17505 1 pressure 1 . atm 17505 1 temperature 298 . K 17505 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17505 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17505 1 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17505 1 Goddard . . 17505 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17505 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17505 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17505 _NMR_spectrometer.ID 2 _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 17505 _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 . 700 . . . 17505 1 2 spectrometer_2 Bruker Avance . 500 . . . 17505 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 17505 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17505 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17505 1 3 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17505 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17505 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17505 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17505 1 7 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17505 1 8 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17505 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17505 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 17505 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 0 internal indirect 0.251449530 . . . . . . . . . 17505 1 H 1 water protons . . . . ppm 4.755 internal direct 1.000000000 . . . . . . . . . 17505 1 N 15 water protons . . . . ppm 0 internal indirect 0.101329118 . . . . . . . . . 17505 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 17505 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 1H-15N NOESY' . . . 17505 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 SER H H 1 8.684 0.05 . 1 . . . . 2 SER HN . 17505 1 2 . 1 1 2 2 SER HA H 1 4.485 0.05 . 1 . . . . 2 SER HA . 17505 1 3 . 1 1 2 2 SER HB2 H 1 3.763 0.05 . 2 . . . . 2 SER HB2 . 17505 1 4 . 1 1 2 2 SER HB3 H 1 3.622 0.05 . 2 . . . . 2 SER HB3 . 17505 1 5 . 1 1 2 2 SER C C 13 174.123 0.05 . 1 . . . . 2 SER C . 17505 1 6 . 1 1 2 2 SER CA C 13 58.391 0.05 . 1 . . . . 2 SER CA . 17505 1 7 . 1 1 2 2 SER CB C 13 63.970 0.05 . 1 . . . . 2 SER CB . 17505 1 8 . 1 1 2 2 SER N N 15 117.710 0.05 . 1 . . . . 2 SER N . 17505 1 9 . 1 1 3 3 THR H H 1 8.226 0.05 . 1 . . . . 3 THR HN . 17505 1 10 . 1 1 3 3 THR HA H 1 4.121 0.05 . 1 . . . . 3 THR HA . 17505 1 11 . 1 1 3 3 THR HB H 1 4.248 0.05 . 1 . . . . 3 THR HB . 17505 1 12 . 1 1 3 3 THR HG21 H 1 1.095 0.05 . 1 . . . . 3 THR HG . 17505 1 13 . 1 1 3 3 THR HG22 H 1 1.095 0.05 . 1 . . . . 3 THR HG . 17505 1 14 . 1 1 3 3 THR HG23 H 1 1.095 0.05 . 1 . . . . 3 THR HG . 17505 1 15 . 1 1 3 3 THR C C 13 173.580 0.03 . 1 . . . . 3 THR C . 17505 1 16 . 1 1 3 3 THR CA C 13 62.230 0.05 . 1 . . . . 3 THR CA . 17505 1 17 . 1 1 3 3 THR CB C 13 69.824 0.05 . 1 . . . . 3 THR CB . 17505 1 18 . 1 1 3 3 THR CG2 C 13 21.690 0.05 . 1 . . . . 3 THR CG2 . 17505 1 19 . 1 1 3 3 THR N N 15 116.400 0.05 . 1 . . . . 3 THR N . 17505 1 20 . 1 1 4 4 ALA H H 1 8.268 0.05 . 1 . . . . 4 ALA HN . 17505 1 21 . 1 1 4 4 ALA HA H 1 4.371 0.05 . 1 . . . . 4 ALA HA . 17505 1 22 . 1 1 4 4 ALA HB1 H 1 1.269 0.05 . 1 . . . . 4 ALA HB . 17505 1 23 . 1 1 4 4 ALA HB2 H 1 1.269 0.05 . 1 . . . . 4 ALA HB . 17505 1 24 . 1 1 4 4 ALA HB3 H 1 1.269 0.05 . 1 . . . . 4 ALA HB . 17505 1 25 . 1 1 4 4 ALA C C 13 176.748 0.05 . 1 . . . . 4 ALA C . 17505 1 26 . 1 1 4 4 ALA CA C 13 52.656 0.05 . 1 . . . . 4 ALA CA . 17505 1 27 . 1 1 4 4 ALA CB C 13 19.253 0.05 . 1 . . . . 4 ALA CB . 17505 1 28 . 1 1 4 4 ALA N N 15 126.936 0.05 . 1 . . . . 4 ALA N . 17505 1 29 . 1 1 5 5 GLN H H 1 8.249 0.05 . 1 . . . . 5 GLN HN . 17505 1 30 . 1 1 5 5 GLN HA H 1 4.306 0.05 . 1 . . . . 5 GLN HA . 17505 1 31 . 1 1 5 5 GLN HB2 H 1 1.863 0.05 . 2 . . . . 5 GLN HB2 . 17505 1 32 . 1 1 5 5 GLN HB3 H 1 2.083 0.05 . 2 . . . . 5 GLN HB3 . 17505 1 33 . 1 1 5 5 GLN HG2 H 1 2.292 0.05 . 2 . . . . 5 GLN HG2 . 17505 1 34 . 1 1 5 5 GLN HG3 H 1 2.292 0.05 . 2 . . . . 5 GLN HG3 . 17505 1 35 . 1 1 5 5 GLN HE21 H 1 7.408 0.05 . 1 . . . . 5 GLN HE21 . 17505 1 36 . 1 1 5 5 GLN HE22 H 1 6.771 0.05 . 1 . . . . 5 GLN HE22 . 17505 1 37 . 1 1 5 5 GLN C C 13 175.352 0.05 . 1 . . . . 5 GLN C . 17505 1 38 . 1 1 5 5 GLN CA C 13 55.536 0.05 . 1 . . . . 5 GLN CA . 17505 1 39 . 1 1 5 5 GLN CB C 13 30.137 0.05 . 1 . . . . 5 GLN CB . 17505 1 40 . 1 1 5 5 GLN CG C 13 33.904 0.05 . 1 . . . . 5 GLN CG . 17505 1 41 . 1 1 5 5 GLN N N 15 119.230 0.05 . 1 . . . . 5 GLN N . 17505 1 42 . 1 1 6 6 SER H H 1 8.576 0.05 . 1 . . . . 6 SER HN . 17505 1 43 . 1 1 6 6 SER HA H 1 4.639 0.05 . 1 . . . . 6 SER HA . 17505 1 44 . 1 1 6 6 SER HB2 H 1 3.796 0.05 . 2 . . . . 6 SER HB2 . 17505 1 45 . 1 1 6 6 SER HB3 H 1 3.697 0.05 . 2 . . . . 6 SER HB3 . 17505 1 46 . 1 1 6 6 SER C C 13 172.430 0.05 . 1 . . . . 6 SER C . 17505 1 47 . 1 1 6 6 SER CA C 13 58.649 0.05 . 1 . . . . 6 SER CA . 17505 1 48 . 1 1 6 6 SER CB C 13 64.049 0.05 . 1 . . . . 6 SER CB . 17505 1 49 . 1 1 6 6 SER N N 15 118.798 0.05 . 1 . . . . 6 SER N . 17505 1 50 . 1 1 7 7 LEU H H 1 8.634 0.05 . 1 . . . . 7 LEU HN . 17505 1 51 . 1 1 7 7 LEU HA H 1 4.624 0.05 . 1 . . . . 7 LEU HA . 17505 1 52 . 1 1 7 7 LEU HB2 H 1 0.704 0.05 . 2 . . . . 7 LEU HB2 . 17505 1 53 . 1 1 7 7 LEU HB3 H 1 0.704 0.05 . 2 . . . . 7 LEU HB3 . 17505 1 54 . 1 1 7 7 LEU HG H 1 1.584 0.05 . 1 . . . . 7 LEU HG . 17505 1 55 . 1 1 7 7 LEU HD11 H 1 0.597 0.05 . 2 . . . . 7 LEU HD1 . 17505 1 56 . 1 1 7 7 LEU HD12 H 1 0.597 0.05 . 2 . . . . 7 LEU HD1 . 17505 1 57 . 1 1 7 7 LEU HD13 H 1 0.597 0.05 . 2 . . . . 7 LEU HD1 . 17505 1 58 . 1 1 7 7 LEU HD21 H 1 0.597 0.05 . 2 . . . . 7 LEU HD2 . 17505 1 59 . 1 1 7 7 LEU HD22 H 1 0.597 0.05 . 2 . . . . 7 LEU HD2 . 17505 1 60 . 1 1 7 7 LEU HD23 H 1 0.597 0.05 . 2 . . . . 7 LEU HD2 . 17505 1 61 . 1 1 7 7 LEU C C 13 176.000 0.05 . 1 . . . . 7 LEU C . 17505 1 62 . 1 1 7 7 LEU CA C 13 53.923 0.05 . 1 . . . . 7 LEU CA . 17505 1 63 . 1 1 7 7 LEU CB C 13 43.468 0.05 . 1 . . . . 7 LEU CB . 17505 1 64 . 1 1 7 7 LEU CG C 13 21.998 0.05 . 1 . . . . 7 LEU CG . 17505 1 65 . 1 1 7 7 LEU CD1 C 13 24.920 0.05 . 2 . . . . 7 LEU CD1 . 17505 1 66 . 1 1 7 7 LEU CD2 C 13 24.664 0.05 . 2 . . . . 7 LEU CD2 . 17505 1 67 . 1 1 7 7 LEU N N 15 123.549 0.05 . 1 . . . . 7 LEU N . 17505 1 68 . 1 1 8 8 LYS H H 1 8.888 0.05 . 1 . . . . 8 LYS HN . 17505 1 69 . 1 1 8 8 LYS HA H 1 5.233 0.05 . 1 . . . . 8 LYS HA . 17505 1 70 . 1 1 8 8 LYS HB2 H 1 1.607 0.05 . 2 . . . . 8 LYS HB2 . 17505 1 71 . 1 1 8 8 LYS HB3 H 1 1.607 0.05 . 2 . . . . 8 LYS HB3 . 17505 1 72 . 1 1 8 8 LYS HG2 H 1 1.195 0.05 . 2 . . . . 8 LYS HG2 . 17505 1 73 . 1 1 8 8 LYS HG3 H 1 1.195 0.05 . 2 . . . . 8 LYS HG3 . 17505 1 74 . 1 1 8 8 LYS HD2 H 1 1.492 0.05 . 2 . . . . 8 LYS HD2 . 17505 1 75 . 1 1 8 8 LYS HD3 H 1 1.492 0.05 . 2 . . . . 8 LYS HD3 . 17505 1 76 . 1 1 8 8 LYS HE2 H 1 2.573 0.05 . 2 . . . . 8 LYS HE2 . 17505 1 77 . 1 1 8 8 LYS HE3 H 1 2.573 0.05 . 2 . . . . 8 LYS HE3 . 17505 1 78 . 1 1 8 8 LYS C C 13 173.402 0.05 . 1 . . . . 8 LYS C . 17505 1 79 . 1 1 8 8 LYS CA C 13 53.463 0.05 . 1 . . . . 8 LYS CA . 17505 1 80 . 1 1 8 8 LYS CB C 13 37.050 0.05 . 1 . . . . 8 LYS CB . 17505 1 81 . 1 1 8 8 LYS CG C 13 24.060 0.05 . 1 . . . . 8 LYS CG . 17505 1 82 . 1 1 8 8 LYS CD C 13 29.009 0.05 . 1 . . . . 8 LYS CD . 17505 1 83 . 1 1 8 8 LYS CE C 13 44.257 0.05 . 1 . . . . 8 LYS CE . 17505 1 84 . 1 1 8 8 LYS N N 15 119.460 0.05 . 1 . . . . 8 LYS N . 17505 1 85 . 1 1 9 9 SER H H 1 8.534 0.05 . 1 . . . . 9 SER HN . 17505 1 86 . 1 1 9 9 SER HA H 1 5.651 0.05 . 1 . . . . 9 SER HA . 17505 1 87 . 1 1 9 9 SER HB2 H 1 3.498 0.05 . 2 . . . . 9 SER HB2 . 17505 1 88 . 1 1 9 9 SER HB3 H 1 3.498 0.05 . 2 . . . . 9 SER HB3 . 17505 1 89 . 1 1 9 9 SER C C 13 172.532 0.05 . 1 . . . . 9 SER C . 17505 1 90 . 1 1 9 9 SER CA C 13 62.342 0.05 . 1 . . . . 9 SER CA . 17505 1 91 . 1 1 9 9 SER CB C 13 65.533 0.05 . 1 . . . . 9 SER CB . 17505 1 92 . 1 1 9 9 SER N N 15 113.042 0.05 . 1 . . . . 9 SER N . 17505 1 93 . 1 1 10 10 VAL H H 1 9.016 0.05 . 1 . . . . 10 VAL HN . 17505 1 94 . 1 1 10 10 VAL HA H 1 4.396 0.05 . 1 . . . . 10 VAL HA . 17505 1 95 . 1 1 10 10 VAL HB H 1 1.940 0.05 . 1 . . . . 10 VAL HB . 17505 1 96 . 1 1 10 10 VAL HG11 H 1 0.692 0.05 . 2 . . . . 10 VAL HG1 . 17505 1 97 . 1 1 10 10 VAL HG12 H 1 0.692 0.05 . 2 . . . . 10 VAL HG1 . 17505 1 98 . 1 1 10 10 VAL HG13 H 1 0.692 0.05 . 2 . . . . 10 VAL HG1 . 17505 1 99 . 1 1 10 10 VAL HG21 H 1 1.112 0.05 . 2 . . . . 10 VAL HG2 . 17505 1 100 . 1 1 10 10 VAL HG22 H 1 1.112 0.05 . 2 . . . . 10 VAL HG2 . 17505 1 101 . 1 1 10 10 VAL HG23 H 1 1.112 0.05 . 2 . . . . 10 VAL HG2 . 17505 1 102 . 1 1 10 10 VAL C C 13 170.530 0.05 . 1 . . . . 10 VAL C . 17505 1 103 . 1 1 10 10 VAL CA C 13 62.342 0.05 . 1 . . . . 10 VAL CA . 17505 1 104 . 1 1 10 10 VAL CB C 13 35.533 0.05 . 1 . . . . 10 VAL CB . 17505 1 105 . 1 1 10 10 VAL CG1 C 13 19.734 0.05 . 2 . . . . 10 VAL CG1 . 17505 1 106 . 1 1 10 10 VAL CG2 C 13 23.650 0.05 . 2 . . . . 10 VAL CG2 . 17505 1 107 . 1 1 10 10 VAL N N 15 124.598 0.05 . 1 . . . . 10 VAL N . 17505 1 108 . 1 1 11 11 ASP H H 1 8.748 0.05 . 1 . . . . 11 ASP HN . 17505 1 109 . 1 1 11 11 ASP HA H 1 5.438 0.05 . 1 . . . . 11 ASP HA . 17505 1 110 . 1 1 11 11 ASP HB2 H 1 2.883 0.05 . 2 . . . . 11 ASP HB2 . 17505 1 111 . 1 1 11 11 ASP HB3 H 1 2.493 0.05 . 2 . . . . 11 ASP HB3 . 17505 1 112 . 1 1 11 11 ASP C C 13 175.072 0.05 . 1 . . . . 11 ASP C . 17505 1 113 . 1 1 11 11 ASP CA C 13 53.195 0.05 . 1 . . . . 11 ASP CA . 17505 1 114 . 1 1 11 11 ASP CB C 13 40.348 0.05 . 1 . . . . 11 ASP CB . 17505 1 115 . 1 1 11 11 ASP N N 15 127.887 0.05 . 1 . . . . 11 ASP N . 17505 1 116 . 1 1 12 12 TYR H H 1 7.765 0.05 . 1 . . . . 12 TYR HN . 17505 1 117 . 1 1 12 12 TYR HA H 1 5.807 0.05 . 1 . . . . 12 TYR HA . 17505 1 118 . 1 1 12 12 TYR HB2 H 1 2.687 0.05 . 2 . . . . 12 TYR HB2 . 17505 1 119 . 1 1 12 12 TYR HB3 H 1 2.388 0.05 . 2 . . . . 12 TYR HB3 . 17505 1 120 . 1 1 12 12 TYR HD1 H 1 6.511 0.05 . 3 . . . . 12 TYR HD1 . 17505 1 121 . 1 1 12 12 TYR HD2 H 1 6.511 0.05 . 3 . . . . 12 TYR HD2 . 17505 1 122 . 1 1 12 12 TYR HE1 H 1 6.222 0.05 . 3 . . . . 12 TYR HE1 . 17505 1 123 . 1 1 12 12 TYR HE2 H 1 6.222 0.05 . 3 . . . . 12 TYR HE2 . 17505 1 124 . 1 1 12 12 TYR C C 13 172.932 0.05 . 1 . . . . 12 TYR C . 17505 1 125 . 1 1 12 12 TYR CA C 13 54.874 0.05 . 1 . . . . 12 TYR CA . 17505 1 126 . 1 1 12 12 TYR CB C 13 44.374 0.05 . 1 . . . . 12 TYR CB . 17505 1 127 . 1 1 12 12 TYR N N 15 115.296 0.05 . 1 . . . . 12 TYR N . 17505 1 128 . 1 1 13 13 GLU H H 1 8.229 0.05 . 1 . . . . 13 GLU HN . 17505 1 129 . 1 1 13 13 GLU HA H 1 4.977 0.05 . 1 . . . . 13 GLU HA . 17505 1 130 . 1 1 13 13 GLU HB2 H 1 1.916 0.05 . 2 . . . . 13 GLU HB2 . 17505 1 131 . 1 1 13 13 GLU HB3 H 1 1.672 0.05 . 2 . . . . 13 GLU HB3 . 17505 1 132 . 1 1 13 13 GLU HG2 H 1 1.266 0.05 . 2 . . . . 13 GLU HG2 . 17505 1 133 . 1 1 13 13 GLU HG3 H 1 1.355 0.05 . 2 . . . . 13 GLU HG3 . 17505 1 134 . 1 1 13 13 GLU C C 13 173.230 0.05 . 1 . . . . 13 GLU C . 17505 1 135 . 1 1 13 13 GLU CA C 13 56.174 0.05 . 1 . . . . 13 GLU CA . 17505 1 136 . 1 1 13 13 GLU CB C 13 32.400 0.05 . 1 . . . . 13 GLU CB . 17505 1 137 . 1 1 13 13 GLU CG C 13 36.342 0.05 . 1 . . . . 13 GLU CG . 17505 1 138 . 1 1 13 13 GLU N N 15 121.832 0.05 . 1 . . . . 13 GLU N . 17505 1 139 . 1 1 14 14 VAL H H 1 9.559 0.05 . 1 . . . . 14 VAL HN . 17505 1 140 . 1 1 14 14 VAL HA H 1 4.470 0.05 . 1 . . . . 14 VAL HA . 17505 1 141 . 1 1 14 14 VAL HB H 1 1.526 0.05 . 1 . . . . 14 VAL HB . 17505 1 142 . 1 1 14 14 VAL HG11 H 1 0.882 0.05 . 2 . . . . 14 VAL HG1 . 17505 1 143 . 1 1 14 14 VAL HG12 H 1 0.882 0.05 . 2 . . . . 14 VAL HG1 . 17505 1 144 . 1 1 14 14 VAL HG13 H 1 0.882 0.05 . 2 . . . . 14 VAL HG1 . 17505 1 145 . 1 1 14 14 VAL HG21 H 1 0.882 0.05 . 2 . . . . 14 VAL HG2 . 17505 1 146 . 1 1 14 14 VAL HG22 H 1 0.882 0.05 . 2 . . . . 14 VAL HG2 . 17505 1 147 . 1 1 14 14 VAL HG23 H 1 0.882 0.05 . 2 . . . . 14 VAL HG2 . 17505 1 148 . 1 1 14 14 VAL C C 13 173.529 0.05 . 1 . . . . 14 VAL C . 17505 1 149 . 1 1 14 14 VAL CA C 13 61.848 0.05 . 1 . . . . 14 VAL CA . 17505 1 150 . 1 1 14 14 VAL CB C 13 33.862 0.05 . 1 . . . . 14 VAL CB . 17505 1 151 . 1 1 14 14 VAL CG1 C 13 21.400 0.05 . 2 . . . . 14 VAL CG1 . 17505 1 152 . 1 1 14 14 VAL CG2 C 13 20.833 0.05 . 2 . . . . 14 VAL CG2 . 17505 1 153 . 1 1 14 14 VAL N N 15 128.322 0.05 . 1 . . . . 14 VAL N . 17505 1 154 . 1 1 15 15 PHE H H 1 8.898 0.05 . 1 . . . . 15 PHE HN . 17505 1 155 . 1 1 15 15 PHE HA H 1 4.708 0.05 . 1 . . . . 15 PHE HA . 17505 1 156 . 1 1 15 15 PHE HB2 H 1 2.902 0.05 . 2 . . . . 15 PHE HB2 . 17505 1 157 . 1 1 15 15 PHE HB3 H 1 2.682 0.05 . 2 . . . . 15 PHE HB3 . 17505 1 158 . 1 1 15 15 PHE HD1 H 1 7.064 0.05 . 3 . . . . 15 PHE HD1 . 17505 1 159 . 1 1 15 15 PHE HD2 H 1 7.064 0.05 . 3 . . . . 15 PHE HD2 . 17505 1 160 . 1 1 15 15 PHE HE1 H 1 6.985 0.05 . 3 . . . . 15 PHE HE1 . 17505 1 161 . 1 1 15 15 PHE HE2 H 1 6.985 0.05 . 3 . . . . 15 PHE HE2 . 17505 1 162 . 1 1 15 15 PHE C C 13 175.006 0.05 . 1 . . . . 15 PHE C . 17505 1 163 . 1 1 15 15 PHE CA C 13 55.936 0.05 . 1 . . . . 15 PHE CA . 17505 1 164 . 1 1 15 15 PHE CB C 13 41.588 0.05 . 1 . . . . 15 PHE CB . 17505 1 165 . 1 1 15 15 PHE N N 15 123.065 0.05 . 1 . . . . 15 PHE N . 17505 1 166 . 1 1 16 16 GLY H H 1 9.023 0.05 . 1 . . . . 16 GLY HN . 17505 1 167 . 1 1 16 16 GLY HA2 H 1 4.694 0.05 . 2 . . . . 16 GLY HA2 . 17505 1 168 . 1 1 16 16 GLY HA3 H 1 3.713 0.05 . 2 . . . . 16 GLY HA3 . 17505 1 169 . 1 1 16 16 GLY C C 13 172.745 0.05 . 1 . . . . 16 GLY C . 17505 1 170 . 1 1 16 16 GLY CA C 13 44.898 0.05 . 1 . . . . 16 GLY CA . 17505 1 171 . 1 1 16 16 GLY N N 15 109.844 0.05 . 1 . . . . 16 GLY N . 17505 1 172 . 1 1 17 17 ARG H H 1 8.971 0.05 . 1 . . . . 17 ARG HN . 17505 1 173 . 1 1 17 17 ARG HA H 1 4.640 0.05 . 1 . . . . 17 ARG HA . 17505 1 174 . 1 1 17 17 ARG HB2 H 1 1.585 0.05 . 2 . . . . 17 ARG HB2 . 17505 1 175 . 1 1 17 17 ARG HB3 H 1 1.807 0.05 . 2 . . . . 17 ARG HB3 . 17505 1 176 . 1 1 17 17 ARG HG2 H 1 1.327 0.05 . 2 . . . . 17 ARG HG2 . 17505 1 177 . 1 1 17 17 ARG HG3 H 1 1.327 0.05 . 2 . . . . 17 ARG HG3 . 17505 1 178 . 1 1 17 17 ARG HD2 H 1 3.102 0.05 . 2 . . . . 17 ARG HD2 . 17505 1 179 . 1 1 17 17 ARG HD3 H 1 3.102 0.05 . 2 . . . . 17 ARG HD3 . 17505 1 180 . 1 1 17 17 ARG C C 13 174.900 0.05 . 1 . . . . 17 ARG C . 17505 1 181 . 1 1 17 17 ARG CA C 13 54.991 0.05 . 1 . . . . 17 ARG CA . 17505 1 182 . 1 1 17 17 ARG CB C 13 29.107 0.05 . 1 . . . . 17 ARG CB . 17505 1 183 . 1 1 17 17 ARG CG C 13 27.235 0.05 . 1 . . . . 17 ARG CG . 17505 1 184 . 1 1 17 17 ARG CD C 13 43.727 0.05 . 1 . . . . 17 ARG CD . 17505 1 185 . 1 1 17 17 ARG N N 15 128.483 0.05 . 1 . . . . 17 ARG N . 17505 1 186 . 1 1 18 18 VAL H H 1 7.608 0.05 . 1 . . . . 18 VAL HN . 17505 1 187 . 1 1 18 18 VAL HA H 1 4.150 0.05 . 1 . . . . 18 VAL HA . 17505 1 188 . 1 1 18 18 VAL HB H 1 1.433 0.05 . 1 . . . . 18 VAL HB . 17505 1 189 . 1 1 18 18 VAL HG11 H 1 0.121 0.05 . 2 . . . . 18 VAL HG1 . 17505 1 190 . 1 1 18 18 VAL HG12 H 1 0.121 0.05 . 2 . . . . 18 VAL HG1 . 17505 1 191 . 1 1 18 18 VAL HG13 H 1 0.121 0.05 . 2 . . . . 18 VAL HG1 . 17505 1 192 . 1 1 18 18 VAL HG21 H 1 0.415 0.05 . 2 . . . . 18 VAL HG2 . 17505 1 193 . 1 1 18 18 VAL HG22 H 1 0.415 0.05 . 2 . . . . 18 VAL HG2 . 17505 1 194 . 1 1 18 18 VAL HG23 H 1 0.415 0.05 . 2 . . . . 18 VAL HG2 . 17505 1 195 . 1 1 18 18 VAL C C 13 173.616 0.05 . 1 . . . . 18 VAL C . 17505 1 196 . 1 1 18 18 VAL CA C 13 60.797 0.05 . 1 . . . . 18 VAL CA . 17505 1 197 . 1 1 18 18 VAL CB C 13 32.731 0.05 . 1 . . . . 18 VAL CB . 17505 1 198 . 1 1 18 18 VAL CG1 C 13 21.504 0.05 . 2 . . . . 18 VAL CG1 . 17505 1 199 . 1 1 18 18 VAL CG2 C 13 18.135 0.05 . 2 . . . . 18 VAL CG2 . 17505 1 200 . 1 1 18 18 VAL N N 15 112.244 0.05 . 1 . . . . 18 VAL N . 17505 1 201 . 1 1 19 19 GLN H H 1 8.166 0.05 . 1 . . . . 19 GLN HN . 17505 1 202 . 1 1 19 19 GLN HA H 1 4.778 0.05 . 1 . . . . 19 GLN HA . 17505 1 203 . 1 1 19 19 GLN HB2 H 1 1.924 0.05 . 2 . . . . 19 GLN HB2 . 17505 1 204 . 1 1 19 19 GLN HB3 H 1 1.807 0.05 . 2 . . . . 19 GLN HB3 . 17505 1 205 . 1 1 19 19 GLN HG2 H 1 2.163 0.05 . 2 . . . . 19 GLN HG2 . 17505 1 206 . 1 1 19 19 GLN HG3 H 1 2.163 0.05 . 2 . . . . 19 GLN HG3 . 17505 1 207 . 1 1 19 19 GLN HE21 H 1 7.552 0.05 . 2 . . . . 19 GLN HE21 . 17505 1 208 . 1 1 19 19 GLN HE22 H 1 7.001 0.05 . 2 . . . . 19 GLN HE22 . 17505 1 209 . 1 1 19 19 GLN C C 13 175.289 0.05 . 1 . . . . 19 GLN C . 17505 1 210 . 1 1 19 19 GLN CA C 13 55.700 0.05 . 1 . . . . 19 GLN CA . 17505 1 211 . 1 1 19 19 GLN CB C 13 29.298 0.05 . 1 . . . . 19 GLN CB . 17505 1 212 . 1 1 19 19 GLN CG C 13 33.467 0.05 . 1 . . . . 19 GLN CG . 17505 1 213 . 1 1 19 19 GLN N N 15 120.528 0.05 . 1 . . . . 19 GLN N . 17505 1 214 . 1 1 19 19 GLN NE2 N 15 111.040 0.05 . 1 . . . . 19 GLN NE2 . 17505 1 215 . 1 1 20 20 GLY H H 1 10.127 0.05 . 1 . . . . 20 GLY HN . 17505 1 216 . 1 1 20 20 GLY HA2 H 1 3.891 0.05 . 2 . . . . 20 GLY HA2 . 17505 1 217 . 1 1 20 20 GLY HA3 H 1 3.988 0.05 . 2 . . . . 20 GLY HA3 . 17505 1 218 . 1 1 20 20 GLY C C 13 174.898 0.05 . 1 . . . . 20 GLY C . 17505 1 219 . 1 1 20 20 GLY CA C 13 46.543 0.05 . 1 . . . . 20 GLY CA . 17505 1 220 . 1 1 20 20 GLY N N 15 113.690 0.05 . 1 . . . . 20 GLY N . 17505 1 221 . 1 1 21 21 VAL H H 1 8.087 0.05 . 1 . . . . 21 VAL HN . 17505 1 222 . 1 1 21 21 VAL HA H 1 4.638 0.05 . 1 . . . . 21 VAL HA . 17505 1 223 . 1 1 21 21 VAL HB H 1 2.115 0.05 . 1 . . . . 21 VAL HB . 17505 1 224 . 1 1 21 21 VAL HG11 H 1 0.374 0.05 . 2 . . . . 21 VAL HG1 . 17505 1 225 . 1 1 21 21 VAL HG12 H 1 0.374 0.05 . 2 . . . . 21 VAL HG1 . 17505 1 226 . 1 1 21 21 VAL HG13 H 1 0.374 0.05 . 2 . . . . 21 VAL HG1 . 17505 1 227 . 1 1 21 21 VAL HG21 H 1 0.467 0.05 . 2 . . . . 21 VAL HG2 . 17505 1 228 . 1 1 21 21 VAL HG22 H 1 0.467 0.05 . 2 . . . . 21 VAL HG2 . 17505 1 229 . 1 1 21 21 VAL HG23 H 1 0.467 0.05 . 2 . . . . 21 VAL HG2 . 17505 1 230 . 1 1 21 21 VAL C C 13 176.149 0.05 . 1 . . . . 21 VAL C . 17505 1 231 . 1 1 21 21 VAL CA C 13 59.745 0.05 . 1 . . . . 21 VAL CA . 17505 1 232 . 1 1 21 21 VAL CB C 13 31.862 0.05 . 1 . . . . 21 VAL CB . 17505 1 233 . 1 1 21 21 VAL CG1 C 13 21.294 0.05 . 2 . . . . 21 VAL CG1 . 17505 1 234 . 1 1 21 21 VAL CG2 C 13 18.683 0.05 . 2 . . . . 21 VAL CG2 . 17505 1 235 . 1 1 21 21 VAL N N 15 108.605 0.05 . 1 . . . . 21 VAL N . 17505 1 236 . 1 1 22 22 SER H H 1 10.422 0.05 . 1 . . . . 22 SER HN . 17505 1 237 . 1 1 22 22 SER HA H 1 4.665 0.05 . 1 . . . . 22 SER HA . 17505 1 238 . 1 1 22 22 SER HB2 H 1 4.385 0.05 . 2 . . . . 22 SER HB2 . 17505 1 239 . 1 1 22 22 SER HB3 H 1 4.385 0.05 . 2 . . . . 22 SER HB3 . 17505 1 240 . 1 1 22 22 SER C C 13 173.686 0.05 . 1 . . . . 22 SER C . 17505 1 241 . 1 1 22 22 SER CA C 13 59.771 0.05 . 1 . . . . 22 SER CA . 17505 1 242 . 1 1 22 22 SER CB C 13 61.456 0.05 . 1 . . . . 22 SER CB . 17505 1 243 . 1 1 22 22 SER N N 15 122.805 0.05 . 1 . . . . 22 SER N . 17505 1 244 . 1 1 23 23 PHE H H 1 9.914 0.05 . 1 . . . . 23 PHE HN . 17505 1 245 . 1 1 23 23 PHE HA H 1 3.896 0.05 . 1 . . . . 23 PHE HA . 17505 1 246 . 1 1 23 23 PHE C C 13 180.242 0.05 . 1 . . . . 23 PHE C . 17505 1 247 . 1 1 23 23 PHE CA C 13 62.631 0.05 . 1 . . . . 23 PHE CA . 17505 1 248 . 1 1 23 23 PHE CB C 13 41.449 0.05 . 1 . . . . 23 PHE CB . 17505 1 249 . 1 1 23 23 PHE N N 15 123.845 0.05 . 1 . . . . 23 PHE N . 17505 1 250 . 1 1 24 24 ARG H H 1 9.229 0.05 . 1 . . . . 24 ARG HN . 17505 1 251 . 1 1 24 24 ARG HA H 1 3.896 0.05 . 1 . . . . 24 ARG HA . 17505 1 252 . 1 1 24 24 ARG HB2 H 1 1.668 0.05 . 2 . . . . 24 ARG HB2 . 17505 1 253 . 1 1 24 24 ARG HB3 H 1 1.668 0.05 . 2 . . . . 24 ARG HB3 . 17505 1 254 . 1 1 24 24 ARG C C 13 176.725 0.05 . 1 . . . . 24 ARG C . 17505 1 255 . 1 1 24 24 ARG CA C 13 61.263 0.05 . 1 . . . . 24 ARG CA . 17505 1 256 . 1 1 24 24 ARG CB C 13 28.267 0.05 . 1 . . . . 24 ARG CB . 17505 1 257 . 1 1 24 24 ARG CG C 13 26.293 0.05 . 1 . . . . 24 ARG CG . 17505 1 258 . 1 1 24 24 ARG CD C 13 43.006 0.05 . 1 . . . . 24 ARG CD . 17505 1 259 . 1 1 24 24 ARG N N 15 119.877 0.05 . 1 . . . . 24 ARG N . 17505 1 260 . 1 1 25 25 MET H H 1 8.851 0.05 . 1 . . . . 25 MET HN . 17505 1 261 . 1 1 25 25 MET HA H 1 3.982 0.05 . 1 . . . . 25 MET HA . 17505 1 262 . 1 1 25 25 MET HB2 H 1 1.972 0.05 . 2 . . . . 25 MET HB2 . 17505 1 263 . 1 1 25 25 MET HB3 H 1 1.841 0.05 . 2 . . . . 25 MET HB3 . 17505 1 264 . 1 1 25 25 MET HG2 H 1 2.454 0.05 . 2 . . . . 25 MET HG2 . 17505 1 265 . 1 1 25 25 MET HG3 H 1 2.233 0.05 . 2 . . . . 25 MET HG3 . 17505 1 266 . 1 1 25 25 MET C C 13 178.132 0.05 . 1 . . . . 25 MET C . 17505 1 267 . 1 1 25 25 MET CA C 13 59.231 0.05 . 1 . . . . 25 MET CA . 17505 1 268 . 1 1 25 25 MET CB C 13 32.793 0.05 . 1 . . . . 25 MET CB . 17505 1 269 . 1 1 25 25 MET CG C 13 31.561 0.05 . 1 . . . . 25 MET CG . 17505 1 270 . 1 1 25 25 MET N N 15 119.553 0.05 . 1 . . . . 25 MET N . 17505 1 271 . 1 1 26 26 TYR H H 1 8.198 0.05 . 1 . . . . 26 TYR HN . 17505 1 272 . 1 1 26 26 TYR HA H 1 3.982 0.05 . 1 . . . . 26 TYR HA . 17505 1 273 . 1 1 26 26 TYR C C 13 177.260 0.05 . 1 . . . . 26 TYR C . 17505 1 274 . 1 1 26 26 TYR CA C 13 63.177 0.05 . 1 . . . . 26 TYR CA . 17505 1 275 . 1 1 26 26 TYR CB C 13 37.261 0.05 . 1 . . . . 26 TYR CB . 17505 1 276 . 1 1 26 26 TYR N N 15 116.943 0.05 . 1 . . . . 26 TYR N . 17505 1 277 . 1 1 27 27 THR H H 1 8.363 0.05 . 1 . . . . 27 THR HN . 17505 1 278 . 1 1 27 27 THR HA H 1 4.229 0.05 . 1 . . . . 27 THR HA . 17505 1 279 . 1 1 27 27 THR HB H 1 3.001 0.05 . 1 . . . . 27 THR HB . 17505 1 280 . 1 1 27 27 THR HG21 H 1 0.800 0.05 . 1 . . . . 27 THR HG . 17505 1 281 . 1 1 27 27 THR HG22 H 1 0.800 0.05 . 1 . . . . 27 THR HG . 17505 1 282 . 1 1 27 27 THR HG23 H 1 0.800 0.05 . 1 . . . . 27 THR HG . 17505 1 283 . 1 1 27 27 THR C C 13 174.183 0.05 . 1 . . . . 27 THR C . 17505 1 284 . 1 1 27 27 THR CA C 13 67.245 0.05 . 1 . . . . 27 THR CA . 17505 1 285 . 1 1 27 27 THR CB C 13 67.791 0.05 . 1 . . . . 27 THR CB . 17505 1 286 . 1 1 27 27 THR CG2 C 13 21.630 0.05 . 1 . . . . 27 THR CG2 . 17505 1 287 . 1 1 27 27 THR N N 15 119.558 0.05 . 1 . . . . 27 THR N . 17505 1 288 . 1 1 28 28 GLU H H 1 7.993 0.05 . 1 . . . . 28 GLU HN . 17505 1 289 . 1 1 28 28 GLU HA H 1 3.415 0.05 . 1 . . . . 28 GLU HA . 17505 1 290 . 1 1 28 28 GLU HB2 H 1 1.838 0.05 . 2 . . . . 28 GLU HB2 . 17505 1 291 . 1 1 28 28 GLU HB3 H 1 1.908 0.05 . 2 . . . . 28 GLU HB3 . 17505 1 292 . 1 1 28 28 GLU HG2 H 1 2.126 0.05 . 2 . . . . 28 GLU HG2 . 17505 1 293 . 1 1 28 28 GLU HG3 H 1 2.111 0.05 . 2 . . . . 28 GLU HG3 . 17505 1 294 . 1 1 28 28 GLU C C 13 176.476 0.05 . 1 . . . . 28 GLU C . 17505 1 295 . 1 1 28 28 GLU CA C 13 59.755 0.05 . 1 . . . . 28 GLU CA . 17505 1 296 . 1 1 28 28 GLU CB C 13 28.831 0.05 . 1 . . . . 28 GLU CB . 17505 1 297 . 1 1 28 28 GLU CG C 13 35.262 0.05 . 1 . . . . 28 GLU CG . 17505 1 298 . 1 1 28 28 GLU N N 15 121.596 0.05 . 1 . . . . 28 GLU N . 17505 1 299 . 1 1 29 29 ASP H H 1 7.685 0.05 . 1 . . . . 29 ASP HN . 17505 1 300 . 1 1 29 29 ASP HA H 1 4.027 0.05 . 1 . . . . 29 ASP HA . 17505 1 301 . 1 1 29 29 ASP HB2 H 1 2.274 0.05 . 2 . . . . 29 ASP HB2 . 17505 1 302 . 1 1 29 29 ASP HB3 H 1 2.274 0.05 . 2 . . . . 29 ASP HB3 . 17505 1 303 . 1 1 29 29 ASP C C 13 177.453 0.05 . 1 . . . . 29 ASP C . 17505 1 304 . 1 1 29 29 ASP CA C 13 57.341 0.05 . 1 . . . . 29 ASP CA . 17505 1 305 . 1 1 29 29 ASP CB C 13 40.969 0.05 . 1 . . . . 29 ASP CB . 17505 1 306 . 1 1 29 29 ASP N N 15 118.232 0.05 . 1 . . . . 29 ASP N . 17505 1 307 . 1 1 30 30 GLU H H 1 7.692 0.05 . 1 . . . . 30 GLU HN . 17505 1 308 . 1 1 30 30 GLU HA H 1 3.490 0.05 . 1 . . . . 30 GLU HA . 17505 1 309 . 1 1 30 30 GLU HB2 H 1 0.859 0.05 . 2 . . . . 30 GLU HB2 . 17505 1 310 . 1 1 30 30 GLU HB3 H 1 0.859 0.05 . 2 . . . . 30 GLU HB3 . 17505 1 311 . 1 1 30 30 GLU HG2 H 1 1.264 0.05 . 2 . . . . 30 GLU HG2 . 17505 1 312 . 1 1 30 30 GLU HG3 H 1 1.264 0.05 . 2 . . . . 30 GLU HG3 . 17505 1 313 . 1 1 30 30 GLU C C 13 176.754 0.05 . 1 . . . . 30 GLU C . 17505 1 314 . 1 1 30 30 GLU CA C 13 57.875 0.05 . 1 . . . . 30 GLU CA . 17505 1 315 . 1 1 30 30 GLU CB C 13 26.401 0.05 . 1 . . . . 30 GLU CB . 17505 1 316 . 1 1 30 30 GLU CG C 13 30.737 0.05 . 1 . . . . 30 GLU CG . 17505 1 317 . 1 1 30 30 GLU N N 15 120.960 0.05 . 1 . . . . 30 GLU N . 17505 1 318 . 1 1 31 31 ALA H H 1 7.820 0.05 . 1 . . . . 31 ALA HN . 17505 1 319 . 1 1 31 31 ALA HA H 1 3.471 0.05 . 1 . . . . 31 ALA HA . 17505 1 320 . 1 1 31 31 ALA HB1 H 1 1.734 0.05 . 1 . . . . 31 ALA HB . 17505 1 321 . 1 1 31 31 ALA HB2 H 1 1.734 0.05 . 1 . . . . 31 ALA HB . 17505 1 322 . 1 1 31 31 ALA HB3 H 1 1.734 0.05 . 1 . . . . 31 ALA HB . 17505 1 323 . 1 1 31 31 ALA C C 13 179.656 0.05 . 1 . . . . 31 ALA C . 17505 1 324 . 1 1 31 31 ALA CA C 13 54.863 0.05 . 1 . . . . 31 ALA CA . 17505 1 325 . 1 1 31 31 ALA CB C 13 18.489 0.05 . 1 . . . . 31 ALA CB . 17505 1 326 . 1 1 31 31 ALA N N 15 119.747 0.05 . 1 . . . . 31 ALA N . 17505 1 327 . 1 1 32 32 ARG H H 1 7.623 0.05 . 1 . . . . 32 ARG HN . 17505 1 328 . 1 1 32 32 ARG HA H 1 4.016 0.05 . 1 . . . . 32 ARG HA . 17505 1 329 . 1 1 32 32 ARG HB2 H 1 1.754 0.05 . 2 . . . . 32 ARG HB2 . 17505 1 330 . 1 1 32 32 ARG HB3 H 1 1.754 0.05 . 2 . . . . 32 ARG HB3 . 17505 1 331 . 1 1 32 32 ARG HG2 H 1 1.628 0.05 . 2 . . . . 32 ARG HG2 . 17505 1 332 . 1 1 32 32 ARG HG3 H 1 1.628 0.05 . 2 . . . . 32 ARG HG3 . 17505 1 333 . 1 1 32 32 ARG HD2 H 1 3.102 0.05 . 2 . . . . 32 ARG HD2 . 17505 1 334 . 1 1 32 32 ARG HD3 H 1 3.102 0.05 . 2 . . . . 32 ARG HD3 . 17505 1 335 . 1 1 32 32 ARG C C 13 178.315 0.05 . 1 . . . . 32 ARG C . 17505 1 336 . 1 1 32 32 ARG CA C 13 58.825 0.05 . 1 . . . . 32 ARG CA . 17505 1 337 . 1 1 32 32 ARG CB C 13 29.964 0.05 . 1 . . . . 32 ARG CB . 17505 1 338 . 1 1 32 32 ARG CG C 13 28.245 0.05 . 1 . . . . 32 ARG CG . 17505 1 339 . 1 1 32 32 ARG CD C 13 43.763 0.05 . 1 . . . . 32 ARG CD . 17505 1 340 . 1 1 32 32 ARG N N 15 116.734 0.05 . 1 . . . . 32 ARG N . 17505 1 341 . 1 1 33 33 LYS H H 1 7.553 0.05 . 1 . . . . 33 LYS HN . 17505 1 342 . 1 1 33 33 LYS HA H 1 3.760 0.05 . 1 . . . . 33 LYS HA . 17505 1 343 . 1 1 33 33 LYS HB2 H 1 1.626 0.05 . 2 . . . . 33 LYS HB2 . 17505 1 344 . 1 1 33 33 LYS HB3 H 1 1.626 0.05 . 2 . . . . 33 LYS HB3 . 17505 1 345 . 1 1 33 33 LYS HG2 H 1 1.335 0.05 . 2 . . . . 33 LYS HG2 . 17505 1 346 . 1 1 33 33 LYS HG3 H 1 1.335 0.05 . 2 . . . . 33 LYS HG3 . 17505 1 347 . 1 1 33 33 LYS HD2 H 1 1.093 0.05 . 2 . . . . 33 LYS HD2 . 17505 1 348 . 1 1 33 33 LYS HD3 H 1 1.093 0.05 . 2 . . . . 33 LYS HD3 . 17505 1 349 . 1 1 33 33 LYS HE2 H 1 2.686 0.05 . 2 . . . . 33 LYS HE2 . 17505 1 350 . 1 1 33 33 LYS HE3 H 1 2.686 0.05 . 2 . . . . 33 LYS HE3 . 17505 1 351 . 1 1 33 33 LYS C C 13 178.224 0.05 . 1 . . . . 33 LYS C . 17505 1 352 . 1 1 33 33 LYS CA C 13 59.356 0.05 . 1 . . . . 33 LYS CA . 17505 1 353 . 1 1 33 33 LYS CB C 13 32.405 0.05 . 1 . . . . 33 LYS CB . 17505 1 354 . 1 1 33 33 LYS CG C 13 25.046 0.05 . 1 . . . . 33 LYS CG . 17505 1 355 . 1 1 33 33 LYS CD C 13 29.150 0.05 . 1 . . . . 33 LYS CD . 17505 1 356 . 1 1 33 33 LYS CE C 13 41.854 0.05 . 1 . . . . 33 LYS CE . 17505 1 357 . 1 1 33 33 LYS N N 15 120.917 0.05 . 1 . . . . 33 LYS N . 17505 1 358 . 1 1 34 34 ILE H H 1 8.184 0.05 . 1 . . . . 34 ILE HN . 17505 1 359 . 1 1 34 34 ILE HA H 1 3.795 0.05 . 1 . . . . 34 ILE HA . 17505 1 360 . 1 1 34 34 ILE HB H 1 1.560 0.05 . 1 . . . . 34 ILE HB . 17505 1 361 . 1 1 34 34 ILE HG12 H 1 1.277 0.05 . 2 . . . . 34 ILE HG12 . 17505 1 362 . 1 1 34 34 ILE HG13 H 1 0.966 0.05 . 2 . . . . 34 ILE HG13 . 17505 1 363 . 1 1 34 34 ILE HG21 H 1 0.697 0.05 . 1 . . . . 34 ILE HG2 . 17505 1 364 . 1 1 34 34 ILE HG22 H 1 0.697 0.05 . 1 . . . . 34 ILE HG2 . 17505 1 365 . 1 1 34 34 ILE HG23 H 1 0.697 0.05 . 1 . . . . 34 ILE HG2 . 17505 1 366 . 1 1 34 34 ILE HD11 H 1 0.537 0.05 . 1 . . . . 34 ILE HD1 . 17505 1 367 . 1 1 34 34 ILE HD12 H 1 0.537 0.05 . 1 . . . . 34 ILE HD1 . 17505 1 368 . 1 1 34 34 ILE HD13 H 1 0.537 0.05 . 1 . . . . 34 ILE HD1 . 17505 1 369 . 1 1 34 34 ILE C C 13 175.491 0.05 . 1 . . . . 34 ILE C . 17505 1 370 . 1 1 34 34 ILE CA C 13 63.293 0.05 . 1 . . . . 34 ILE CA . 17505 1 371 . 1 1 34 34 ILE CB C 13 38.896 0.05 . 1 . . . . 34 ILE CB . 17505 1 372 . 1 1 34 34 ILE CG1 C 13 27.961 0.05 . 1 . . . . 34 ILE CG1 . 17505 1 373 . 1 1 34 34 ILE CG2 C 13 18.551 0.05 . 1 . . . . 34 ILE CG2 . 17505 1 374 . 1 1 34 34 ILE CD1 C 13 13.929 0.05 . 1 . . . . 34 ILE CD1 . 17505 1 375 . 1 1 34 34 ILE N N 15 116.66 0.05 . 1 . . . . 34 ILE N . 17505 1 376 . 1 1 35 35 GLY H H 1 8.121 0.05 . 1 . . . . 35 GLY HN . 17505 1 377 . 1 1 35 35 GLY HA2 H 1 3.684 0.05 . 2 . . . . 35 GLY HA2 . 17505 1 378 . 1 1 35 35 GLY HA3 H 1 4.117 0.05 . 2 . . . . 35 GLY HA3 . 17505 1 379 . 1 1 35 35 GLY C C 13 174.516 0.05 . 1 . . . . 35 GLY C . 17505 1 380 . 1 1 35 35 GLY CA C 13 46.151 0.05 . 1 . . . . 35 GLY CA . 17505 1 381 . 1 1 35 35 GLY N N 15 107.485 0.05 . 1 . . . . 35 GLY N . 17505 1 382 . 1 1 36 36 VAL H H 1 7.470 0.05 . 1 . . . . 36 VAL HN . 17505 1 383 . 1 1 36 36 VAL HA H 1 4.804 0.05 . 1 . . . . 36 VAL HA . 17505 1 384 . 1 1 36 36 VAL HB H 1 2.392 0.05 . 1 . . . . 36 VAL HB . 17505 1 385 . 1 1 36 36 VAL HG11 H 1 0.508 0.05 . 2 . . . . 36 VAL HG1 . 17505 1 386 . 1 1 36 36 VAL HG12 H 1 0.508 0.05 . 2 . . . . 36 VAL HG1 . 17505 1 387 . 1 1 36 36 VAL HG13 H 1 0.508 0.05 . 2 . . . . 36 VAL HG1 . 17505 1 388 . 1 1 36 36 VAL C C 13 173.723 0.05 . 1 . . . . 36 VAL C . 17505 1 389 . 1 1 36 36 VAL CA C 13 59.224 0.05 . 1 . . . . 36 VAL CA . 17505 1 390 . 1 1 36 36 VAL CB C 13 33.364 0.05 . 1 . . . . 36 VAL CB . 17505 1 391 . 1 1 36 36 VAL CG1 C 13 18.496 0.05 . 2 . . . . 36 VAL CG1 . 17505 1 392 . 1 1 36 36 VAL CG2 C 13 23.407 0.05 . 2 . . . . 36 VAL CG2 . 17505 1 393 . 1 1 36 36 VAL N N 15 110.904 0.05 . 1 . . . . 36 VAL N . 17505 1 394 . 1 1 37 37 VAL H H 1 8.722 0.05 . 1 . . . . 37 VAL HN . 17505 1 395 . 1 1 37 37 VAL HA H 1 4.624 0.05 . 1 . . . . 37 VAL HA . 17505 1 396 . 1 1 37 37 VAL HB H 1 2.090 0.05 . 1 . . . . 37 VAL HB . 17505 1 397 . 1 1 37 37 VAL HG11 H 1 0.574 0.05 . 2 . . . . 37 VAL HG1 . 17505 1 398 . 1 1 37 37 VAL HG12 H 1 0.574 0.05 . 2 . . . . 37 VAL HG1 . 17505 1 399 . 1 1 37 37 VAL HG13 H 1 0.574 0.05 . 2 . . . . 37 VAL HG1 . 17505 1 400 . 1 1 37 37 VAL HG21 H 1 0.938 0.05 . 2 . . . . 37 VAL HG2 . 17505 1 401 . 1 1 37 37 VAL HG22 H 1 0.938 0.05 . 2 . . . . 37 VAL HG2 . 17505 1 402 . 1 1 37 37 VAL HG23 H 1 0.938 0.05 . 2 . . . . 37 VAL HG2 . 17505 1 403 . 1 1 37 37 VAL C C 13 174.282 0.05 . 1 . . . . 37 VAL C . 17505 1 404 . 1 1 37 37 VAL CA C 13 59.967 0.05 . 1 . . . . 37 VAL CA . 17505 1 405 . 1 1 37 37 VAL CB C 13 34.128 0.05 . 1 . . . . 37 VAL CB . 17505 1 406 . 1 1 37 37 VAL CG1 C 13 20.179 0.05 . 2 . . . . 37 VAL CG1 . 17505 1 407 . 1 1 37 37 VAL CG2 C 13 21.259 0.05 . 2 . . . . 37 VAL CG2 . 17505 1 408 . 1 1 37 37 VAL N N 15 111.044 0.05 . 1 . . . . 37 VAL N . 17505 1 409 . 1 1 38 38 GLY H H 1 8.128 0.05 . 1 . . . . 38 GLY HN . 17505 1 410 . 1 1 38 38 GLY HA2 H 1 4.937 0.05 . 2 . . . . 38 GLY HA2 . 17505 1 411 . 1 1 38 38 GLY HA3 H 1 2.013 0.05 . 2 . . . . 38 GLY HA3 . 17505 1 412 . 1 1 38 38 GLY C C 13 170.510 0.05 . 1 . . . . 38 GLY C . 17505 1 413 . 1 1 38 38 GLY CA C 13 43.573 0.05 . 1 . . . . 38 GLY CA . 17505 1 414 . 1 1 38 38 GLY N N 15 105.743 0.05 . 1 . . . . 38 GLY N . 17505 1 415 . 1 1 39 39 TRP H H 1 7.963 0.05 . 1 . . . . 39 TRP HN . 17505 1 416 . 1 1 39 39 TRP HA H 1 4.901 0.05 . 1 . . . . 39 TRP HA . 17505 1 417 . 1 1 39 39 TRP HB2 H 1 2.666 0.05 . 2 . . . . 39 TRP HB2 . 17505 1 418 . 1 1 39 39 TRP HB3 H 1 2.823 0.05 . 2 . . . . 39 TRP HB3 . 17505 1 419 . 1 1 39 39 TRP HD1 H 1 6.017 0.05 . 1 . . . . 39 TRP HD1 . 17505 1 420 . 1 1 39 39 TRP C C 13 173.970 0.05 . 1 . . . . 39 TRP C . 17505 1 421 . 1 1 39 39 TRP CA C 13 54.841 0.05 . 1 . . . . 39 TRP CA . 17505 1 422 . 1 1 39 39 TRP CB C 13 30.623 0.05 . 1 . . . . 39 TRP CB . 17505 1 423 . 1 1 39 39 TRP N N 15 120.141 0.05 . 1 . . . . 39 TRP N . 17505 1 424 . 1 1 40 40 VAL H H 1 7.979 0.05 . 1 . . . . 40 VAL HN . 17505 1 425 . 1 1 40 40 VAL HA H 1 5.106 0.05 . 1 . . . . 40 VAL HA . 17505 1 426 . 1 1 40 40 VAL HB H 1 2.216 0.05 . 1 . . . . 40 VAL HB . 17505 1 427 . 1 1 40 40 VAL HG11 H 1 1.058 0.05 . 2 . . . . 40 VAL HG1 . 17505 1 428 . 1 1 40 40 VAL HG12 H 1 1.058 0.05 . 2 . . . . 40 VAL HG1 . 17505 1 429 . 1 1 40 40 VAL HG13 H 1 1.058 0.05 . 2 . . . . 40 VAL HG1 . 17505 1 430 . 1 1 40 40 VAL HG21 H 1 1.237 0.05 . 2 . . . . 40 VAL HG2 . 17505 1 431 . 1 1 40 40 VAL HG22 H 1 1.237 0.05 . 2 . . . . 40 VAL HG2 . 17505 1 432 . 1 1 40 40 VAL HG23 H 1 1.237 0.05 . 2 . . . . 40 VAL HG2 . 17505 1 433 . 1 1 40 40 VAL C C 13 170.880 0.05 . 1 . . . . 40 VAL C . 17505 1 434 . 1 1 40 40 VAL CA C 13 59.740 0.05 . 1 . . . . 40 VAL CA . 17505 1 435 . 1 1 40 40 VAL CB C 13 35.746 0.05 . 1 . . . . 40 VAL CB . 17505 1 436 . 1 1 40 40 VAL CG1 C 13 21.121 0.05 . 2 . . . . 40 VAL CG1 . 17505 1 437 . 1 1 40 40 VAL CG2 C 13 24.151 0.05 . 2 . . . . 40 VAL CG2 . 17505 1 438 . 1 1 40 40 VAL N N 15 119.746 0.05 . 1 . . . . 40 VAL N . 17505 1 439 . 1 1 41 41 LYS H H 1 9.289 0.05 . 1 . . . . 41 LYS HN . 17505 1 440 . 1 1 41 41 LYS HA H 1 4.626 0.05 . 1 . . . . 41 LYS HA . 17505 1 441 . 1 1 41 41 LYS HB2 H 1 1.240 0.05 . 2 . . . . 41 LYS HB2 . 17505 1 442 . 1 1 41 41 LYS HB3 H 1 1.240 0.05 . 2 . . . . 41 LYS HB3 . 17505 1 443 . 1 1 41 41 LYS HG2 H 1 1.492 0.05 . 2 . . . . 41 LYS HG2 . 17505 1 444 . 1 1 41 41 LYS HG3 H 1 1.492 0.05 . 2 . . . . 41 LYS HG3 . 17505 1 445 . 1 1 41 41 LYS HD2 H 1 1.736 0.05 . 2 . . . . 41 LYS HD2 . 17505 1 446 . 1 1 41 41 LYS HD3 H 1 1.893 0.05 . 2 . . . . 41 LYS HD3 . 17505 1 447 . 1 1 41 41 LYS C C 13 173.685 0.05 . 1 . . . . 41 LYS C . 17505 1 448 . 1 1 41 41 LYS CA C 13 56.060 0.05 . 1 . . . . 41 LYS CA . 17505 1 449 . 1 1 41 41 LYS CB C 13 38.784 0.05 . 1 . . . . 41 LYS CB . 17505 1 450 . 1 1 41 41 LYS CG C 13 24.431 0.05 . 1 . . . . 41 LYS CG . 17505 1 451 . 1 1 41 41 LYS CD C 13 29.873 0.05 . 1 . . . . 41 LYS CD . 17505 1 452 . 1 1 41 41 LYS CE C 13 42.372 0.05 . 1 . . . . 41 LYS CE . 17505 1 453 . 1 1 41 41 LYS N N 15 128.159 0.05 . 1 . . . . 41 LYS N . 17505 1 454 . 1 1 42 42 ASN H H 1 8.990 0.05 . 1 . . . . 42 ASN HN . 17505 1 455 . 1 1 42 42 ASN HA H 1 5.219 0.05 . 1 . . . . 42 ASN HA . 17505 1 456 . 1 1 42 42 ASN HB2 H 1 2.709 0.05 . 2 . . . . 42 ASN HB2 . 17505 1 457 . 1 1 42 42 ASN HB3 H 1 2.709 0.05 . 2 . . . . 42 ASN HB3 . 17505 1 458 . 1 1 42 42 ASN HD21 H 1 8.123 0.05 . 2 . . . . 42 ASN HD21 . 17505 1 459 . 1 1 42 42 ASN HD22 H 1 7.426 0.05 . 2 . . . . 42 ASN HD22 . 17505 1 460 . 1 1 42 42 ASN C C 13 175.835 0.05 . 1 . . . . 42 ASN C . 17505 1 461 . 1 1 42 42 ASN CA C 13 52.367 0.05 . 1 . . . . 42 ASN CA . 17505 1 462 . 1 1 42 42 ASN CB C 13 38.360 0.05 . 1 . . . . 42 ASN CB . 17505 1 463 . 1 1 42 42 ASN N N 15 124.625 0.05 . 1 . . . . 42 ASN N . 17505 1 464 . 1 1 42 42 ASN ND2 N 15 109.954 0.05 . 1 . . . . 42 ASN ND2 . 17505 1 465 . 1 1 43 43 THR H H 1 8.241 0.05 . 1 . . . . 43 THR HN . 17505 1 466 . 1 1 43 43 THR HA H 1 4.652 0.05 . 1 . . . . 43 THR HA . 17505 1 467 . 1 1 43 43 THR HB H 1 4.453 0.05 . 1 . . . . 43 THR HB . 17505 1 468 . 1 1 43 43 THR HG21 H 1 0.932 0.05 . 1 . . . . 43 THR HG . 17505 1 469 . 1 1 43 43 THR HG22 H 1 0.932 0.05 . 1 . . . . 43 THR HG . 17505 1 470 . 1 1 43 43 THR HG23 H 1 0.932 0.05 . 1 . . . . 43 THR HG . 17505 1 471 . 1 1 43 43 THR C C 13 175.907 0.05 . 1 . . . . 43 THR C . 17505 1 472 . 1 1 43 43 THR CA C 13 59.995 0.05 . 1 . . . . 43 THR CA . 17505 1 473 . 1 1 43 43 THR CB C 13 71.578 0.05 . 1 . . . . 43 THR CB . 17505 1 474 . 1 1 43 43 THR CG2 C 13 21.820 0.05 . 1 . . . . 43 THR CG2 . 17505 1 475 . 1 1 43 43 THR N N 15 112.221 0.05 . 1 . . . . 43 THR N . 17505 1 476 . 1 1 44 44 SER H H 1 9.068 0.05 . 1 . . . . 44 SER HN . 17505 1 477 . 1 1 44 44 SER HA H 1 3.987 0.05 . 1 . . . . 44 SER HA . 17505 1 478 . 1 1 44 44 SER HB2 H 1 3.881 0.05 . 2 . . . . 44 SER HB2 . 17505 1 479 . 1 1 44 44 SER HB3 H 1 3.881 0.05 . 2 . . . . 44 SER HB3 . 17505 1 480 . 1 1 44 44 SER C C 13 174.004 0.05 . 1 . . . . 44 SER C . 17505 1 481 . 1 1 44 44 SER CA C 13 59.561 0.05 . 1 . . . . 44 SER CA . 17505 1 482 . 1 1 44 44 SER CB C 13 62.809 0.05 . 1 . . . . 44 SER CB . 17505 1 483 . 1 1 44 44 SER N N 15 115.790 0.05 . 1 . . . . 44 SER N . 17505 1 484 . 1 1 45 45 LYS H H 1 7.423 0.05 . 1 . . . . 45 LYS HN . 17505 1 485 . 1 1 45 45 LYS HA H 1 4.460 0.05 . 1 . . . . 45 LYS HA . 17505 1 486 . 1 1 45 45 LYS HB2 H 1 1.851 0.05 . 2 . . . . 45 LYS HB2 . 17505 1 487 . 1 1 45 45 LYS HB3 H 1 1.851 0.05 . 2 . . . . 45 LYS HB3 . 17505 1 488 . 1 1 45 45 LYS HG2 H 1 1.262 0.05 . 2 . . . . 45 LYS HG2 . 17505 1 489 . 1 1 45 45 LYS HG3 H 1 1.262 0.05 . 2 . . . . 45 LYS HG3 . 17505 1 490 . 1 1 45 45 LYS HD2 H 1 1.561 0.05 . 2 . . . . 45 LYS HD2 . 17505 1 491 . 1 1 45 45 LYS HD3 H 1 1.561 0.05 . 2 . . . . 45 LYS HD3 . 17505 1 492 . 1 1 45 45 LYS HE2 H 1 2.812 0.05 . 2 . . . . 45 LYS HE2 . 17505 1 493 . 1 1 45 45 LYS HE3 H 1 2.812 0.05 . 2 . . . . 45 LYS HE3 . 17505 1 494 . 1 1 45 45 LYS C C 13 175.891 0.05 . 1 . . . . 45 LYS C . 17505 1 495 . 1 1 45 45 LYS CA C 13 55.262 0.05 . 1 . . . . 45 LYS CA . 17505 1 496 . 1 1 45 45 LYS CB C 13 32.415 0.05 . 1 . . . . 45 LYS CB . 17505 1 497 . 1 1 45 45 LYS CG C 13 24.315 0.05 . 1 . . . . 45 LYS CG . 17505 1 498 . 1 1 45 45 LYS CD C 13 29.059 0.05 . 1 . . . . 45 LYS CD . 17505 1 499 . 1 1 45 45 LYS CE C 13 41.841 0.05 . 1 . . . . 45 LYS CE . 17505 1 500 . 1 1 45 45 LYS N N 15 118.461 0.05 . 1 . . . . 45 LYS N . 17505 1 501 . 1 1 46 46 GLY H H 1 7.670 0.05 . 1 . . . . 46 GLY HN . 17505 1 502 . 1 1 46 46 GLY HA2 H 1 4.111 0.05 . 2 . . . . 46 GLY HA2 . 17505 1 503 . 1 1 46 46 GLY HA3 H 1 3.380 0.05 . 2 . . . . 46 GLY HA3 . 17505 1 504 . 1 1 46 46 GLY C C 13 173.914 0.05 . 1 . . . . 46 GLY C . 17505 1 505 . 1 1 46 46 GLY CA C 13 45.769 0.05 . 1 . . . . 46 GLY CA . 17505 1 506 . 1 1 46 46 GLY N N 15 106.317 0.05 . 1 . . . . 46 GLY N . 17505 1 507 . 1 1 47 47 THR H H 1 6.839 0.05 . 1 . . . . 47 THR HN . 17505 1 508 . 1 1 47 47 THR HA H 1 4.566 0.05 . 1 . . . . 47 THR HA . 17505 1 509 . 1 1 47 47 THR HB H 1 3.785 0.05 . 1 . . . . 47 THR HB . 17505 1 510 . 1 1 47 47 THR HG21 H 1 0.270 0.05 . 1 . . . . 47 THR HG . 17505 1 511 . 1 1 47 47 THR HG22 H 1 0.270 0.05 . 1 . . . . 47 THR HG . 17505 1 512 . 1 1 47 47 THR HG23 H 1 0.270 0.05 . 1 . . . . 47 THR HG . 17505 1 513 . 1 1 47 47 THR C C 13 173.663 0.05 . 1 . . . . 47 THR C . 17505 1 514 . 1 1 47 47 THR CA C 13 58.933 0.05 . 1 . . . . 47 THR CA . 17505 1 515 . 1 1 47 47 THR CB C 13 71.682 0.05 . 1 . . . . 47 THR CB . 17505 1 516 . 1 1 47 47 THR CG2 C 13 22.778 0.05 . 1 . . . . 47 THR CG2 . 17505 1 517 . 1 1 47 47 THR N N 15 109.270 0.05 . 1 . . . . 47 THR N . 17505 1 518 . 1 1 48 48 VAL H H 1 7.922 0.05 . 1 . . . . 48 VAL HN . 17505 1 519 . 1 1 48 48 VAL HA H 1 4.883 0.05 . 1 . . . . 48 VAL HA . 17505 1 520 . 1 1 48 48 VAL HB H 1 1.284 0.05 . 1 . . . . 48 VAL HB . 17505 1 521 . 1 1 48 48 VAL HG11 H 1 0.601 0.05 . 2 . . . . 48 VAL HG1 . 17505 1 522 . 1 1 48 48 VAL HG12 H 1 0.601 0.05 . 2 . . . . 48 VAL HG1 . 17505 1 523 . 1 1 48 48 VAL HG13 H 1 0.601 0.05 . 2 . . . . 48 VAL HG1 . 17505 1 524 . 1 1 48 48 VAL HG21 H 1 0.915 0.05 . 2 . . . . 48 VAL HG2 . 17505 1 525 . 1 1 48 48 VAL HG22 H 1 0.915 0.05 . 2 . . . . 48 VAL HG2 . 17505 1 526 . 1 1 48 48 VAL HG23 H 1 0.915 0.05 . 2 . . . . 48 VAL HG2 . 17505 1 527 . 1 1 48 48 VAL C C 13 174.008 0.05 . 1 . . . . 48 VAL C . 17505 1 528 . 1 1 48 48 VAL CA C 13 61.317 0.05 . 1 . . . . 48 VAL CA . 17505 1 529 . 1 1 48 48 VAL CB C 13 34.782 0.05 . 1 . . . . 48 VAL CB . 17505 1 530 . 1 1 48 48 VAL CG1 C 13 21.299 0.05 . 2 . . . . 48 VAL CG1 . 17505 1 531 . 1 1 48 48 VAL CG2 C 13 22.719 0.05 . 2 . . . . 48 VAL CG2 . 17505 1 532 . 1 1 48 48 VAL N N 15 120.725 0.05 . 1 . . . . 48 VAL N . 17505 1 533 . 1 1 49 49 THR H H 1 9.186 0.05 . 1 . . . . 49 THR HN . 17505 1 534 . 1 1 49 49 THR HA H 1 4.988 0.05 . 1 . . . . 49 THR HA . 17505 1 535 . 1 1 49 49 THR HB H 1 3.557 0.05 . 1 . . . . 49 THR HB . 17505 1 536 . 1 1 49 49 THR HG21 H 1 0.829 0.05 . 1 . . . . 49 THR HG . 17505 1 537 . 1 1 49 49 THR HG22 H 1 0.829 0.05 . 1 . . . . 49 THR HG . 17505 1 538 . 1 1 49 49 THR HG23 H 1 0.829 0.05 . 1 . . . . 49 THR HG . 17505 1 539 . 1 1 49 49 THR C C 13 169.577 0.05 . 1 . . . . 49 THR C . 17505 1 540 . 1 1 49 49 THR CA C 13 57.924 0.05 . 1 . . . . 49 THR CA . 17505 1 541 . 1 1 49 49 THR CB C 13 73.021 0.05 . 1 . . . . 49 THR CB . 17505 1 542 . 1 1 49 49 THR CG2 C 13 20.642 0.05 . 1 . . . . 49 THR CG2 . 17505 1 543 . 1 1 49 49 THR N N 15 119.825 0.05 . 1 . . . . 49 THR N . 17505 1 544 . 1 1 50 50 GLY H H 1 6.213 0.05 . 1 . . . . 50 GLY HN . 17505 1 545 . 1 1 50 50 GLY HA2 H 1 3.263 0.05 . 2 . . . . 50 GLY HA2 . 17505 1 546 . 1 1 50 50 GLY C C 13 171.737 0.05 . 1 . . . . 50 GLY C . 17505 1 547 . 1 1 50 50 GLY CA C 13 44.160 0.05 . 1 . . . . 50 GLY CA . 17505 1 548 . 1 1 50 50 GLY N N 15 103.730 0.05 . 1 . . . . 50 GLY N . 17505 1 549 . 1 1 51 51 GLN H H 1 5.903 0.05 . 1 . . . . 51 GLN HN . 17505 1 550 . 1 1 51 51 GLN HA H 1 5.125 0.05 . 1 . . . . 51 GLN HA . 17505 1 551 . 1 1 51 51 GLN HB2 H 1 1.471 0.05 . 2 . . . . 51 GLN HB2 . 17505 1 552 . 1 1 51 51 GLN HB3 H 1 1.578 0.05 . 2 . . . . 51 GLN HB3 . 17505 1 553 . 1 1 51 51 GLN HG2 H 1 2.123 0.05 . 2 . . . . 51 GLN HG2 . 17505 1 554 . 1 1 51 51 GLN HG3 H 1 2.270 0.05 . 2 . . . . 51 GLN HG3 . 17505 1 555 . 1 1 51 51 GLN HE21 H 1 6.901 0.05 . 2 . . . . 51 GLN HE21 . 17505 1 556 . 1 1 51 51 GLN HE22 H 1 6.901 0.05 . 2 . . . . 51 GLN HE22 . 17505 1 557 . 1 1 51 51 GLN C C 13 172.986 0.05 . 1 . . . . 51 GLN C . 17505 1 558 . 1 1 51 51 GLN CA C 13 54.452 0.05 . 1 . . . . 51 GLN CA . 17505 1 559 . 1 1 51 51 GLN CB C 13 35.438 0.05 . 1 . . . . 51 GLN CB . 17505 1 560 . 1 1 51 51 GLN CG C 13 36.758 0.05 . 1 . . . . 51 GLN CG . 17505 1 561 . 1 1 51 51 GLN N N 15 117.836 0.05 . 1 . . . . 51 GLN N . 17505 1 562 . 1 1 51 51 GLN NE2 N 15 115.224 0.05 . 1 . . . . 51 GLN NE2 . 17505 1 563 . 1 1 52 52 VAL H H 1 9.173 0.05 . 1 . . . . 52 VAL HN . 17505 1 564 . 1 1 52 52 VAL HA H 1 5.091 0.05 . 1 . . . . 52 VAL HA . 17505 1 565 . 1 1 52 52 VAL HB H 1 1.868 0.05 . 1 . . . . 52 VAL HB . 17505 1 566 . 1 1 52 52 VAL HG11 H 1 0.883 0.05 . 2 . . . . 52 VAL HG1 . 17505 1 567 . 1 1 52 52 VAL HG12 H 1 0.883 0.05 . 2 . . . . 52 VAL HG1 . 17505 1 568 . 1 1 52 52 VAL HG13 H 1 0.883 0.05 . 2 . . . . 52 VAL HG1 . 17505 1 569 . 1 1 52 52 VAL HG21 H 1 0.883 0.05 . 2 . . . . 52 VAL HG2 . 17505 1 570 . 1 1 52 52 VAL HG22 H 1 0.883 0.05 . 2 . . . . 52 VAL HG2 . 17505 1 571 . 1 1 52 52 VAL HG23 H 1 0.883 0.05 . 2 . . . . 52 VAL HG2 . 17505 1 572 . 1 1 52 52 VAL C C 13 173.032 0.05 . 1 . . . . 52 VAL C . 17505 1 573 . 1 1 52 52 VAL CA C 13 60.483 0.05 . 1 . . . . 52 VAL CA . 17505 1 574 . 1 1 52 52 VAL CB C 13 35.180 0.05 . 1 . . . . 52 VAL CB . 17505 1 575 . 1 1 52 52 VAL CG1 C 13 22.740 0.05 . 2 . . . . 52 VAL CG1 . 17505 1 576 . 1 1 52 52 VAL CG2 C 13 22.740 0.05 . 2 . . . . 52 VAL CG2 . 17505 1 577 . 1 1 52 52 VAL N N 15 121.783 0.05 . 1 . . . . 52 VAL N . 17505 1 578 . 1 1 53 53 GLN H H 1 9.153 0.05 . 1 . . . . 53 GLN HN . 17505 1 579 . 1 1 53 53 GLN HA H 1 5.866 0.05 . 1 . . . . 53 GLN HA . 17505 1 580 . 1 1 53 53 GLN HB2 H 1 1.983 0.05 . 2 . . . . 53 GLN HB2 . 17505 1 581 . 1 1 53 53 GLN HB3 H 1 1.983 0.05 . 2 . . . . 53 GLN HB3 . 17505 1 582 . 1 1 53 53 GLN HG2 H 1 2.617 0.05 . 2 . . . . 53 GLN HG2 . 17505 1 583 . 1 1 53 53 GLN HG3 H 1 2.403 0.05 . 2 . . . . 53 GLN HG3 . 17505 1 584 . 1 1 53 53 GLN HE22 H 1 7.088 0.05 . 2 . . . . 53 GLN HE22 . 17505 1 585 . 1 1 53 53 GLN C C 13 174.581 0.05 . 1 . . . . 53 GLN C . 17505 1 586 . 1 1 53 53 GLN CA C 13 52.946 0.05 . 1 . . . . 53 GLN CA . 17505 1 587 . 1 1 53 53 GLN CB C 13 33.453 0.05 . 1 . . . . 53 GLN CB . 17505 1 588 . 1 1 53 53 GLN CG C 13 35.680 0.05 . 1 . . . . 53 GLN CG . 17505 1 589 . 1 1 53 53 GLN N N 15 120.804 0.05 . 1 . . . . 53 GLN N . 17505 1 590 . 1 1 53 53 GLN NE2 N 15 107.122 0.05 . 1 . . . . 53 GLN NE2 . 17505 1 591 . 1 1 54 54 GLY H H 1 8.262 0.05 . 1 . . . . 54 GLY HN . 17505 1 592 . 1 1 54 54 GLY HA2 H 1 4.368 0.05 . 2 . . . . 54 GLY HA2 . 17505 1 593 . 1 1 54 54 GLY C C 13 167.982 0.05 . 1 . . . . 54 GLY C . 17505 1 594 . 1 1 54 54 GLY CA C 13 45.215 0.05 . 1 . . . . 54 GLY CA . 17505 1 595 . 1 1 54 54 GLY N N 15 104.858 0.05 . 1 . . . . 54 GLY N . 17505 1 596 . 1 1 55 55 PRO HA H 1 4.682 0.05 . 1 . . . . 55 PRO HA . 17505 1 597 . 1 1 55 55 PRO HB2 H 1 1.898 0.05 . 2 . . . . 55 PRO HB2 . 17505 1 598 . 1 1 55 55 PRO HB3 H 1 1.898 0.05 . 2 . . . . 55 PRO HB3 . 17505 1 599 . 1 1 55 55 PRO HG2 H 1 2.010 0.05 . 2 . . . . 55 PRO HG2 . 17505 1 600 . 1 1 55 55 PRO HG3 H 1 2.230 0.05 . 2 . . . . 55 PRO HG3 . 17505 1 601 . 1 1 55 55 PRO HD2 H 1 3.991 0.05 . 2 . . . . 55 PRO HD2 . 17505 1 602 . 1 1 55 55 PRO HD3 H 1 3.492 0.05 . 2 . . . . 55 PRO HD3 . 17505 1 603 . 1 1 55 55 PRO C C 13 177.501 0.05 . 1 . . . . 55 PRO C . 17505 1 604 . 1 1 55 55 PRO CA C 13 63.245 0.05 . 1 . . . . 55 PRO CA . 17505 1 605 . 1 1 55 55 PRO CB C 13 33.315 0.05 . 1 . . . . 55 PRO CB . 17505 1 606 . 1 1 55 55 PRO CG C 13 28.385 0.05 . 1 . . . . 55 PRO CG . 17505 1 607 . 1 1 55 55 PRO CD C 13 49.715 0.05 . 1 . . . . 55 PRO CD . 17505 1 608 . 1 1 56 56 GLU H H 1 8.675 0.05 . 1 . . . . 56 GLU HN . 17505 1 609 . 1 1 56 56 GLU HA H 1 3.442 0.05 . 1 . . . . 56 GLU HA . 17505 1 610 . 1 1 56 56 GLU HB2 H 1 1.966 0.05 . 2 . . . . 56 GLU HB2 . 17505 1 611 . 1 1 56 56 GLU HB3 H 1 1.966 0.05 . 2 . . . . 56 GLU HB3 . 17505 1 612 . 1 1 56 56 GLU C C 13 175.472 0.05 . 1 . . . . 56 GLU C . 17505 1 613 . 1 1 56 56 GLU CA C 13 61.162 0.05 . 1 . . . . 56 GLU CA . 17505 1 614 . 1 1 56 56 GLU CB C 13 30.186 0.05 . 1 . . . . 56 GLU CB . 17505 1 615 . 1 1 56 56 GLU CG C 13 35.433 0.05 . 1 . . . . 56 GLU CG . 17505 1 616 . 1 1 56 56 GLU N N 15 123.992 0.05 . 1 . . . . 56 GLU N . 17505 1 617 . 1 1 57 57 ASP H H 1 8.786 0.05 . 1 . . . . 57 ASP HN . 17505 1 618 . 1 1 57 57 ASP HA H 1 4.149 0.05 . 1 . . . . 57 ASP HA . 17505 1 619 . 1 1 57 57 ASP HB2 H 1 2.474 0.05 . 2 . . . . 57 ASP HB2 . 17505 1 620 . 1 1 57 57 ASP HB3 H 1 2.620 0.05 . 2 . . . . 57 ASP HB3 . 17505 1 621 . 1 1 57 57 ASP C C 13 178.106 0.05 . 1 . . . . 57 ASP C . 17505 1 622 . 1 1 57 57 ASP CA C 13 57.247 0.05 . 1 . . . . 57 ASP CA . 17505 1 623 . 1 1 57 57 ASP CB C 13 38.966 0.05 . 1 . . . . 57 ASP CB . 17505 1 624 . 1 1 57 57 ASP N N 15 116.217 0.05 . 1 . . . . 57 ASP N . 17505 1 625 . 1 1 58 58 LYS H H 1 7.284 0.05 . 1 . . . . 58 LYS HN . 17505 1 626 . 1 1 58 58 LYS HA H 1 3.860 0.05 . 1 . . . . 58 LYS HA . 17505 1 627 . 1 1 58 58 LYS HB2 H 1 1.482 0.05 . 2 . . . . 58 LYS HB2 . 17505 1 628 . 1 1 58 58 LYS HB3 H 1 1.591 0.05 . 2 . . . . 58 LYS HB3 . 17505 1 629 . 1 1 58 58 LYS HG2 H 1 1.284 0.05 . 2 . . . . 58 LYS HG2 . 17505 1 630 . 1 1 58 58 LYS HG3 H 1 1.392 0.05 . 2 . . . . 58 LYS HG3 . 17505 1 631 . 1 1 58 58 LYS HD2 H 1 3.014 0.05 . 2 . . . . 58 LYS HD2 . 17505 1 632 . 1 1 58 58 LYS HD3 H 1 3.193 0.05 . 2 . . . . 58 LYS HD3 . 17505 1 633 . 1 1 58 58 LYS C C 13 177.835 0.05 . 1 . . . . 58 LYS C . 17505 1 634 . 1 1 58 58 LYS CA C 13 58.581 0.05 . 1 . . . . 58 LYS CA . 17505 1 635 . 1 1 58 58 LYS CB C 13 32.458 0.05 . 1 . . . . 58 LYS CB . 17505 1 636 . 1 1 58 58 LYS CG C 13 25.495 0.05 . 1 . . . . 58 LYS CG . 17505 1 637 . 1 1 58 58 LYS CD C 13 28.739 0.05 . 1 . . . . 58 LYS CD . 17505 1 638 . 1 1 58 58 LYS CE C 13 42.559 0.05 . 1 . . . . 58 LYS CE . 17505 1 639 . 1 1 58 58 LYS N N 15 121.825 0.05 . 1 . . . . 58 LYS N . 17505 1 640 . 1 1 59 59 VAL H H 1 8.306 0.05 . 1 . . . . 59 VAL HN . 17505 1 641 . 1 1 59 59 VAL HA H 1 3.140 0.05 . 1 . . . . 59 VAL HA . 17505 1 642 . 1 1 59 59 VAL HB H 1 2.813 0.05 . 1 . . . . 59 VAL HB . 17505 1 643 . 1 1 59 59 VAL HG11 H 1 0.505 0.05 . 2 . . . . 59 VAL HG1 . 17505 1 644 . 1 1 59 59 VAL HG12 H 1 0.505 0.05 . 2 . . . . 59 VAL HG1 . 17505 1 645 . 1 1 59 59 VAL HG13 H 1 0.505 0.05 . 2 . . . . 59 VAL HG1 . 17505 1 646 . 1 1 59 59 VAL HG21 H 1 0.505 0.05 . 2 . . . . 59 VAL HG2 . 17505 1 647 . 1 1 59 59 VAL HG22 H 1 0.505 0.05 . 2 . . . . 59 VAL HG2 . 17505 1 648 . 1 1 59 59 VAL HG23 H 1 0.505 0.05 . 2 . . . . 59 VAL HG2 . 17505 1 649 . 1 1 59 59 VAL C C 13 177.266 0.05 . 1 . . . . 59 VAL C . 17505 1 650 . 1 1 59 59 VAL CA C 13 67.441 0.05 . 1 . . . . 59 VAL CA . 17505 1 651 . 1 1 59 59 VAL CB C 13 30.762 0.05 . 1 . . . . 59 VAL CB . 17505 1 652 . 1 1 59 59 VAL CG1 C 13 21.589 0.05 . 2 . . . . 59 VAL CG1 . 17505 1 653 . 1 1 59 59 VAL CG2 C 13 24.305 0.05 . 2 . . . . 59 VAL CG2 . 17505 1 654 . 1 1 59 59 VAL N N 15 119.754 0.05 . 1 . . . . 59 VAL N . 17505 1 655 . 1 1 60 60 ASN H H 1 8.374 0.05 . 1 . . . . 60 ASN HN . 17505 1 656 . 1 1 60 60 ASN HA H 1 4.136 0.05 . 1 . . . . 60 ASN HA . 17505 1 657 . 1 1 60 60 ASN HB2 H 1 2.641 0.05 . 2 . . . . 60 ASN HB2 . 17505 1 658 . 1 1 60 60 ASN HB3 H 1 2.783 0.05 . 2 . . . . 60 ASN HB3 . 17505 1 659 . 1 1 60 60 ASN HD21 H 1 7.547 0.05 . 2 . . . . 60 ASN HD21 . 17505 1 660 . 1 1 60 60 ASN HD22 H 1 6.987 0.05 . 2 . . . . 60 ASN HD22 . 17505 1 661 . 1 1 60 60 ASN C C 13 178.146 0.05 . 1 . . . . 60 ASN C . 17505 1 662 . 1 1 60 60 ASN CA C 13 56.238 0.05 . 1 . . . . 60 ASN CA . 17505 1 663 . 1 1 60 60 ASN CB C 13 36.574 0.05 . 1 . . . . 60 ASN CB . 17505 1 664 . 1 1 60 60 ASN N N 15 118.987 0.05 . 1 . . . . 60 ASN N . 17505 1 665 . 1 1 60 60 ASN ND2 N 15 111.596 0.05 . 1 . . . . 60 ASN ND2 . 17505 1 666 . 1 1 61 61 SER H H 1 7.875 0.05 . 1 . . . . 61 SER HN . 17505 1 667 . 1 1 61 61 SER HA H 1 4.163 0.05 . 1 . . . . 61 SER HA . 17505 1 668 . 1 1 61 61 SER HB2 H 1 3.790 0.05 . 2 . . . . 61 SER HB2 . 17505 1 669 . 1 1 61 61 SER HB3 H 1 3.936 0.05 . 2 . . . . 61 SER HB3 . 17505 1 670 . 1 1 61 61 SER C C 13 176.189 0.05 . 1 . . . . 61 SER C . 17505 1 671 . 1 1 61 61 SER CA C 13 62.531 0.05 . 1 . . . . 61 SER CA . 17505 1 672 . 1 1 61 61 SER CB C 13 62.123 0.05 . 1 . . . . 61 SER CB . 17505 1 673 . 1 1 61 61 SER N N 15 118.693 0.05 . 1 . . . . 61 SER N . 17505 1 674 . 1 1 62 62 MET H H 1 8.116 0.05 . 1 . . . . 62 MET HN . 17505 1 675 . 1 1 62 62 MET HA H 1 4.240 0.05 . 1 . . . . 62 MET HA . 17505 1 676 . 1 1 62 62 MET HB2 H 1 2.143 0.05 . 2 . . . . 62 MET HB2 . 17505 1 677 . 1 1 62 62 MET HB3 H 1 2.232 0.05 . 2 . . . . 62 MET HB3 . 17505 1 678 . 1 1 62 62 MET HG2 H 1 1.599 0.05 . 2 . . . . 62 MET HG2 . 17505 1 679 . 1 1 62 62 MET HG3 H 1 2.369 0.05 . 2 . . . . 62 MET HG3 . 17505 1 680 . 1 1 62 62 MET C C 13 177.375 0.05 . 1 . . . . 62 MET C . 17505 1 681 . 1 1 62 62 MET CA C 13 57.097 0.05 . 1 . . . . 62 MET CA . 17505 1 682 . 1 1 62 62 MET CB C 13 31.345 0.05 . 1 . . . . 62 MET CB . 17505 1 683 . 1 1 62 62 MET CG C 13 33.434 0.05 . 1 . . . . 62 MET CG . 17505 1 684 . 1 1 62 62 MET N N 15 124.076 0.05 . 1 . . . . 62 MET N . 17505 1 685 . 1 1 63 63 LYS H H 1 8.935 0.05 . 1 . . . . 63 LYS HN . 17505 1 686 . 1 1 63 63 LYS HA H 1 3.641 0.05 . 1 . . . . 63 LYS HA . 17505 1 687 . 1 1 63 63 LYS HB2 H 1 1.584 0.05 . 2 . . . . 63 LYS HB2 . 17505 1 688 . 1 1 63 63 LYS HB3 H 1 1.584 0.05 . 2 . . . . 63 LYS HB3 . 17505 1 689 . 1 1 63 63 LYS HG2 H 1 1.221 0.05 . 2 . . . . 63 LYS HG2 . 17505 1 690 . 1 1 63 63 LYS HG3 H 1 1.221 0.05 . 2 . . . . 63 LYS HG3 . 17505 1 691 . 1 1 63 63 LYS HD2 H 1 1.379 0.05 . 2 . . . . 63 LYS HD2 . 17505 1 692 . 1 1 63 63 LYS HD3 H 1 1.379 0.05 . 2 . . . . 63 LYS HD3 . 17505 1 693 . 1 1 63 63 LYS C C 13 178.722 0.05 . 1 . . . . 63 LYS C . 17505 1 694 . 1 1 63 63 LYS CA C 13 60.656 0.05 . 1 . . . . 63 LYS CA . 17505 1 695 . 1 1 63 63 LYS CB C 13 31.545 0.05 . 1 . . . . 63 LYS CB . 17505 1 696 . 1 1 63 63 LYS CG C 13 24.160 0.05 . 1 . . . . 63 LYS CG . 17505 1 697 . 1 1 63 63 LYS CD C 13 29.238 0.05 . 1 . . . . 63 LYS CD . 17505 1 698 . 1 1 63 63 LYS CE C 13 41.045 0.05 . 1 . . . . 63 LYS CE . 17505 1 699 . 1 1 63 63 LYS N N 15 119.196 0.05 . 1 . . . . 63 LYS N . 17505 1 700 . 1 1 64 64 SER H H 1 7.652 0.05 . 1 . . . . 64 SER HN . 17505 1 701 . 1 1 64 64 SER HA H 1 3.891 0.05 . 1 . . . . 64 SER HA . 17505 1 702 . 1 1 64 64 SER C C 13 175.376 0.05 . 1 . . . . 64 SER C . 17505 1 703 . 1 1 64 64 SER CA C 13 62.701 0.05 . 1 . . . . 64 SER CA . 17505 1 704 . 1 1 64 64 SER CB C 13 62.748 0.05 . 1 . . . . 64 SER CB . 17505 1 705 . 1 1 64 64 SER N N 15 114.089 0.05 . 1 . . . . 64 SER N . 17505 1 706 . 1 1 65 65 TRP H H 1 7.869 0.05 . 1 . . . . 65 TRP HN . 17505 1 707 . 1 1 65 65 TRP HA H 1 3.825 0.05 . 1 . . . . 65 TRP HA . 17505 1 708 . 1 1 65 65 TRP HB2 H 1 3.105 0.05 . 2 . . . . 65 TRP HB2 . 17505 1 709 . 1 1 65 65 TRP HB3 H 1 3.441 0.05 . 2 . . . . 65 TRP HB3 . 17505 1 710 . 1 1 65 65 TRP HD1 H 1 7.041 0.05 . 1 . . . . 65 TRP HD1 . 17505 1 711 . 1 1 65 65 TRP C C 13 178.856 0.05 . 1 . . . . 65 TRP C . 17505 1 712 . 1 1 65 65 TRP CA C 13 62.766 0.05 . 1 . . . . 65 TRP CA . 17505 1 713 . 1 1 65 65 TRP CB C 13 29.043 0.05 . 1 . . . . 65 TRP CB . 17505 1 714 . 1 1 65 65 TRP N N 15 124.255 0.05 . 1 . . . . 65 TRP N . 17505 1 715 . 1 1 66 66 LEU H H 1 8.880 0.05 . 1 . . . . 66 LEU HN . 17505 1 716 . 1 1 66 66 LEU HA H 1 3.830 0.05 . 1 . . . . 66 LEU HA . 17505 1 717 . 1 1 66 66 LEU HB2 H 1 1.851 0.05 . 2 . . . . 66 LEU HB2 . 17505 1 718 . 1 1 66 66 LEU HB3 H 1 1.851 0.05 . 2 . . . . 66 LEU HB3 . 17505 1 719 . 1 1 66 66 LEU HG H 1 1.182 0.05 . 1 . . . . 66 LEU HG . 17505 1 720 . 1 1 66 66 LEU HD11 H 1 0.772 0.05 . 2 . . . . 66 LEU HD1 . 17505 1 721 . 1 1 66 66 LEU HD12 H 1 0.772 0.05 . 2 . . . . 66 LEU HD1 . 17505 1 722 . 1 1 66 66 LEU HD13 H 1 0.772 0.05 . 2 . . . . 66 LEU HD1 . 17505 1 723 . 1 1 66 66 LEU HD21 H 1 -0.132 0.05 . 2 . . . . 66 LEU HD2 . 17505 1 724 . 1 1 66 66 LEU HD22 H 1 -0.132 0.05 . 2 . . . . 66 LEU HD2 . 17505 1 725 . 1 1 66 66 LEU HD23 H 1 -0.132 0.05 . 2 . . . . 66 LEU HD2 . 17505 1 726 . 1 1 66 66 LEU C C 13 175.045 0.05 . 1 . . . . 66 LEU C . 17505 1 727 . 1 1 66 66 LEU CA C 13 57.285 0.05 . 1 . . . . 66 LEU CA . 17505 1 728 . 1 1 66 66 LEU CB C 13 43.922 0.05 . 1 . . . . 66 LEU CB . 17505 1 729 . 1 1 66 66 LEU CG C 13 23.161 0.05 . 1 . . . . 66 LEU CG . 17505 1 730 . 1 1 66 66 LEU CD1 C 13 24.744 0.05 . 2 . . . . 66 LEU CD1 . 17505 1 731 . 1 1 66 66 LEU CD2 C 13 24.368 0.05 . 2 . . . . 66 LEU CD2 . 17505 1 732 . 1 1 66 66 LEU N N 15 118.845 0.05 . 1 . . . . 66 LEU N . 17505 1 733 . 1 1 67 67 SER H H 1 7.564 0.05 . 1 . . . . 67 SER HN . 17505 1 734 . 1 1 67 67 SER HA H 1 4.011 0.05 . 1 . . . . 67 SER HA . 17505 1 735 . 1 1 67 67 SER C C 13 174.885 0.05 . 1 . . . . 67 SER C . 17505 1 736 . 1 1 67 67 SER CA C 13 59.770 0.05 . 1 . . . . 67 SER CA . 17505 1 737 . 1 1 67 67 SER CB C 13 64.830 0.05 . 1 . . . . 67 SER CB . 17505 1 738 . 1 1 67 67 SER N N 15 108.212 0.05 . 1 . . . . 67 SER N . 17505 1 739 . 1 1 68 68 LYS H H 1 7.611 0.05 . 1 . . . . 68 LYS HN . 17505 1 740 . 1 1 68 68 LYS HA H 1 4.388 0.05 . 1 . . . . 68 LYS HA . 17505 1 741 . 1 1 68 68 LYS HB2 H 1 1.625 0.05 . 2 . . . . 68 LYS HB2 . 17505 1 742 . 1 1 68 68 LYS HB3 H 1 1.625 0.05 . 2 . . . . 68 LYS HB3 . 17505 1 743 . 1 1 68 68 LYS HG2 H 1 1.256 0.05 . 2 . . . . 68 LYS HG2 . 17505 1 744 . 1 1 68 68 LYS HG3 H 1 1.256 0.05 . 2 . . . . 68 LYS HG3 . 17505 1 745 . 1 1 68 68 LYS HD2 H 1 1.491 0.05 . 2 . . . . 68 LYS HD2 . 17505 1 746 . 1 1 68 68 LYS HD3 H 1 1.491 0.05 . 2 . . . . 68 LYS HD3 . 17505 1 747 . 1 1 68 68 LYS C C 13 175.264 0.05 . 1 . . . . 68 LYS C . 17505 1 748 . 1 1 68 68 LYS CA C 13 56.451 0.05 . 1 . . . . 68 LYS CA . 17505 1 749 . 1 1 68 68 LYS CB C 13 35.879 0.05 . 1 . . . . 68 LYS CB . 17505 1 750 . 1 1 68 68 LYS CG C 13 24.564 0.05 . 1 . . . . 68 LYS CG . 17505 1 751 . 1 1 68 68 LYS CD C 13 28.781 0.05 . 1 . . . . 68 LYS CD . 17505 1 752 . 1 1 68 68 LYS CE C 13 45.135 0.05 . 1 . . . . 68 LYS CE . 17505 1 753 . 1 1 68 68 LYS N N 15 116.304 0.05 . 1 . . . . 68 LYS N . 17505 1 754 . 1 1 69 69 VAL H H 1 7.731 0.05 . 1 . . . . 69 VAL HN . 17505 1 755 . 1 1 69 69 VAL HA H 1 3.811 0.05 . 1 . . . . 69 VAL HA . 17505 1 756 . 1 1 69 69 VAL C C 13 174.046 0.05 . 1 . . . . 69 VAL C . 17505 1 757 . 1 1 69 69 VAL CA C 13 64.268 0.05 . 1 . . . . 69 VAL CA . 17505 1 758 . 1 1 69 69 VAL CB C 13 32.008 0.05 . 1 . . . . 69 VAL CB . 17505 1 759 . 1 1 69 69 VAL N N 15 121.519 0.05 . 1 . . . . 69 VAL N . 17505 1 760 . 1 1 71 71 SER H H 1 5.836 0.05 . 1 . . . . 71 SER HN . 17505 1 761 . 1 1 71 71 SER HA H 1 3.902 0.05 . 1 . . . . 71 SER HA . 17505 1 762 . 1 1 71 71 SER C C 13 173.902 0.05 . 1 . . . . 71 SER C . 17505 1 763 . 1 1 71 71 SER CA C 13 55.276 0.05 . 1 . . . . 71 SER CA . 17505 1 764 . 1 1 71 71 SER CB C 13 63.174 0.05 . 1 . . . . 71 SER CB . 17505 1 765 . 1 1 71 71 SER N N 15 109.429 0.05 . 1 . . . . 71 SER N . 17505 1 766 . 1 1 72 72 PRO HA H 1 4.064 0.05 . 1 . . . . 72 PRO HA . 17505 1 767 . 1 1 72 72 PRO HB2 H 1 2.197 0.05 . 2 . . . . 72 PRO HB2 . 17505 1 768 . 1 1 72 72 PRO HB3 H 1 2.111 0.05 . 2 . . . . 72 PRO HB3 . 17505 1 769 . 1 1 72 72 PRO HG2 H 1 1.710 0.05 . 2 . . . . 72 PRO HG2 . 17505 1 770 . 1 1 72 72 PRO HG3 H 1 1.828 0.05 . 2 . . . . 72 PRO HG3 . 17505 1 771 . 1 1 72 72 PRO C C 13 177.594 0.05 . 1 . . . . 72 PRO C . 17505 1 772 . 1 1 72 72 PRO CA C 13 66.151 0.05 . 1 . . . . 72 PRO CA . 17505 1 773 . 1 1 72 72 PRO CB C 13 31.964 0.05 . 1 . . . . 72 PRO CB . 17505 1 774 . 1 1 72 72 PRO CG C 13 27.592 0.05 . 1 . . . . 72 PRO CG . 17505 1 775 . 1 1 73 73 SER H H 1 8.531 0.05 . 1 . . . . 73 SER HN . 17505 1 776 . 1 1 73 73 SER HA H 1 4.444 0.05 . 1 . . . . 73 SER HA . 17505 1 777 . 1 1 73 73 SER HB2 H 1 3.881 0.05 . 2 . . . . 73 SER HB2 . 17505 1 778 . 1 1 73 73 SER HB3 H 1 3.881 0.05 . 2 . . . . 73 SER HB3 . 17505 1 779 . 1 1 73 73 SER C C 13 173.179 0.05 . 1 . . . . 73 SER C . 17505 1 780 . 1 1 73 73 SER CA C 13 58.918 0.05 . 1 . . . . 73 SER CA . 17505 1 781 . 1 1 73 73 SER CB C 13 63.127 0.05 . 1 . . . . 73 SER CB . 17505 1 782 . 1 1 73 73 SER N N 15 110.584 0.05 . 1 . . . . 73 SER N . 17505 1 783 . 1 1 74 74 SER H H 1 7.691 0.05 . 1 . . . . 74 SER HN . 17505 1 784 . 1 1 74 74 SER HA H 1 4.263 0.05 . 1 . . . . 74 SER HA . 17505 1 785 . 1 1 74 74 SER HB2 H 1 3.877 0.05 . 2 . . . . 74 SER HB2 . 17505 1 786 . 1 1 74 74 SER HB3 H 1 3.877 0.05 . 2 . . . . 74 SER HB3 . 17505 1 787 . 1 1 74 74 SER C C 13 172.700 0.05 . 1 . . . . 74 SER C . 17505 1 788 . 1 1 74 74 SER CA C 13 58.459 0.05 . 1 . . . . 74 SER CA . 17505 1 789 . 1 1 74 74 SER CB C 13 66.711 0.05 . 1 . . . . 74 SER CB . 17505 1 790 . 1 1 74 74 SER N N 15 117.687 0.05 . 1 . . . . 74 SER N . 17505 1 791 . 1 1 75 75 ARG H H 1 8.227 0.05 . 1 . . . . 75 ARG HN . 17505 1 792 . 1 1 75 75 ARG HA H 1 4.370 0.05 . 1 . . . . 75 ARG HA . 17505 1 793 . 1 1 75 75 ARG HB2 H 1 1.596 0.05 . 2 . . . . 75 ARG HB2 . 17505 1 794 . 1 1 75 75 ARG HB3 H 1 1.596 0.05 . 2 . . . . 75 ARG HB3 . 17505 1 795 . 1 1 75 75 ARG HG2 H 1 0.975 0.05 . 2 . . . . 75 ARG HG2 . 17505 1 796 . 1 1 75 75 ARG HG3 H 1 0.975 0.05 . 2 . . . . 75 ARG HG3 . 17505 1 797 . 1 1 75 75 ARG HD2 H 1 3.065 0.05 . 2 . . . . 75 ARG HD2 . 17505 1 798 . 1 1 75 75 ARG HD3 H 1 3.065 0.05 . 2 . . . . 75 ARG HD3 . 17505 1 799 . 1 1 75 75 ARG C C 13 173.657 0.05 . 1 . . . . 75 ARG C . 17505 1 800 . 1 1 75 75 ARG CA C 13 55.543 0.05 . 1 . . . . 75 ARG CA . 17505 1 801 . 1 1 75 75 ARG CB C 13 32.248 0.05 . 1 . . . . 75 ARG CB . 17505 1 802 . 1 1 75 75 ARG CG C 13 27.850 0.05 . 1 . . . . 75 ARG CG . 17505 1 803 . 1 1 75 75 ARG CD C 13 42.927 0.05 . 1 . . . . 75 ARG CD . 17505 1 804 . 1 1 75 75 ARG N N 15 120.260 0.05 . 1 . . . . 75 ARG N . 17505 1 805 . 1 1 76 76 ILE H H 1 8.816 0.05 . 1 . . . . 76 ILE HN . 17505 1 806 . 1 1 76 76 ILE HA H 1 3.592 0.05 . 1 . . . . 76 ILE HA . 17505 1 807 . 1 1 76 76 ILE HB H 1 1.252 0.05 . 1 . . . . 76 ILE HB . 17505 1 808 . 1 1 76 76 ILE HG12 H 1 0.406 0.05 . 2 . . . . 76 ILE HG12 . 17505 1 809 . 1 1 76 76 ILE HG13 H 1 0.577 0.05 . 2 . . . . 76 ILE HG13 . 17505 1 810 . 1 1 76 76 ILE HD11 H 1 0.238 0.05 . 1 . . . . 76 ILE HD1 . 17505 1 811 . 1 1 76 76 ILE HD12 H 1 0.238 0.05 . 1 . . . . 76 ILE HD1 . 17505 1 812 . 1 1 76 76 ILE HD13 H 1 0.238 0.05 . 1 . . . . 76 ILE HD1 . 17505 1 813 . 1 1 76 76 ILE C C 13 175.341 0.05 . 1 . . . . 76 ILE C . 17505 1 814 . 1 1 76 76 ILE CA C 13 62.202 0.05 . 1 . . . . 76 ILE CA . 17505 1 815 . 1 1 76 76 ILE CB C 13 39.272 0.05 . 1 . . . . 76 ILE CB . 17505 1 816 . 1 1 76 76 ILE CG1 C 13 27.152 0.05 . 1 . . . . 76 ILE CG1 . 17505 1 817 . 1 1 76 76 ILE CG2 C 13 17.827 0.05 . 1 . . . . 76 ILE CG2 . 17505 1 818 . 1 1 76 76 ILE CD1 C 13 13.474 0.05 . 1 . . . . 76 ILE CD1 . 17505 1 819 . 1 1 76 76 ILE N N 15 129.213 0.05 . 1 . . . . 76 ILE N . 17505 1 820 . 1 1 77 77 ASP H H 1 9.487 0.05 . 1 . . . . 77 ASP HN . 17505 1 821 . 1 1 77 77 ASP HA H 1 4.576 0.05 . 1 . . . . 77 ASP HA . 17505 1 822 . 1 1 77 77 ASP HB2 H 1 2.179 0.05 . 2 . . . . 77 ASP HB2 . 17505 1 823 . 1 1 77 77 ASP HB3 H 1 2.519 0.05 . 2 . . . . 77 ASP HB3 . 17505 1 824 . 1 1 77 77 ASP C C 13 175.785 0.05 . 1 . . . . 77 ASP C . 17505 1 825 . 1 1 77 77 ASP CA C 13 55.883 0.05 . 1 . . . . 77 ASP CA . 17505 1 826 . 1 1 77 77 ASP CB C 13 41.724 0.05 . 1 . . . . 77 ASP CB . 17505 1 827 . 1 1 77 77 ASP N N 15 130.050 0.05 . 1 . . . . 77 ASP N . 17505 1 828 . 1 1 78 78 ARG H H 1 7.543 0.05 . 1 . . . . 78 ARG HN . 17505 1 829 . 1 1 78 78 ARG HA H 1 4.338 0.05 . 1 . . . . 78 ARG HA . 17505 1 830 . 1 1 78 78 ARG HB2 H 1 1.654 0.05 . 2 . . . . 78 ARG HB2 . 17505 1 831 . 1 1 78 78 ARG HB3 H 1 1.654 0.05 . 2 . . . . 78 ARG HB3 . 17505 1 832 . 1 1 78 78 ARG HG2 H 1 1.142 0.05 . 2 . . . . 78 ARG HG2 . 17505 1 833 . 1 1 78 78 ARG HG3 H 1 1.142 0.05 . 2 . . . . 78 ARG HG3 . 17505 1 834 . 1 1 78 78 ARG HD2 H 1 2.697 0.05 . 2 . . . . 78 ARG HD2 . 17505 1 835 . 1 1 78 78 ARG HD3 H 1 2.697 0.05 . 2 . . . . 78 ARG HD3 . 17505 1 836 . 1 1 78 78 ARG C C 13 172.186 0.05 . 1 . . . . 78 ARG C . 17505 1 837 . 1 1 78 78 ARG CA C 13 55.957 0.05 . 1 . . . . 78 ARG CA . 17505 1 838 . 1 1 78 78 ARG CB C 13 32.176 0.05 . 1 . . . . 78 ARG CB . 17505 1 839 . 1 1 78 78 ARG CG C 13 26.229 0.05 . 1 . . . . 78 ARG CG . 17505 1 840 . 1 1 78 78 ARG CD C 13 43.193 0.05 . 1 . . . . 78 ARG CD . 17505 1 841 . 1 1 78 78 ARG N N 15 116.283 0.05 . 1 . . . . 78 ARG N . 17505 1 842 . 1 1 79 79 THR H H 1 8.284 0.05 . 1 . . . . 79 THR HN . 17505 1 843 . 1 1 79 79 THR HA H 1 4.994 0.05 . 1 . . . . 79 THR HA . 17505 1 844 . 1 1 79 79 THR HB H 1 3.405 0.05 . 1 . . . . 79 THR HB . 17505 1 845 . 1 1 79 79 THR HG21 H 1 0.291 0.05 . 1 . . . . 79 THR HG . 17505 1 846 . 1 1 79 79 THR HG22 H 1 0.291 0.05 . 1 . . . . 79 THR HG . 17505 1 847 . 1 1 79 79 THR HG23 H 1 0.291 0.05 . 1 . . . . 79 THR HG . 17505 1 848 . 1 1 79 79 THR C C 13 172.148 0.05 . 1 . . . . 79 THR C . 17505 1 849 . 1 1 79 79 THR CA C 13 61.531 0.05 . 1 . . . . 79 THR CA . 17505 1 850 . 1 1 79 79 THR CB C 13 70.351 0.05 . 1 . . . . 79 THR CB . 17505 1 851 . 1 1 79 79 THR CG2 C 13 23.877 0.05 . 1 . . . . 79 THR CG2 . 17505 1 852 . 1 1 79 79 THR N N 15 118.921 0.05 . 1 . . . . 79 THR N . 17505 1 853 . 1 1 80 80 ASN H H 1 9.215 0.05 . 1 . . . . 80 ASN HN . 17505 1 854 . 1 1 80 80 ASN HA H 1 4.688 0.05 . 1 . . . . 80 ASN HA . 17505 1 855 . 1 1 80 80 ASN HB2 H 1 2.906 0.05 . 2 . . . . 80 ASN HB2 . 17505 1 856 . 1 1 80 80 ASN HB3 H 1 2.906 0.05 . 2 . . . . 80 ASN HB3 . 17505 1 857 . 1 1 80 80 ASN HD21 H 1 7.441 0.05 . 2 . . . . 80 ASN HD21 . 17505 1 858 . 1 1 80 80 ASN HD22 H 1 6.772 0.05 . 2 . . . . 80 ASN HD22 . 17505 1 859 . 1 1 80 80 ASN C C 13 172.675 0.05 . 1 . . . . 80 ASN C . 17505 1 860 . 1 1 80 80 ASN CA C 13 51.651 0.05 . 1 . . . . 80 ASN CA . 17505 1 861 . 1 1 80 80 ASN CB C 13 40.526 0.05 . 1 . . . . 80 ASN CB . 17505 1 862 . 1 1 80 80 ASN N N 15 124.859 0.05 . 1 . . . . 80 ASN N . 17505 1 863 . 1 1 80 80 ASN ND2 N 15 112.654 0.05 . 1 . . . . 80 ASN ND2 . 17505 1 864 . 1 1 81 81 PHE H H 1 9.028 0.05 . 1 . . . . 81 PHE HN . 17505 1 865 . 1 1 81 81 PHE HA H 1 5.113 0.05 . 1 . . . . 81 PHE HA . 17505 1 866 . 1 1 81 81 PHE HB2 H 1 2.799 0.05 . 2 . . . . 81 PHE HB2 . 17505 1 867 . 1 1 81 81 PHE HB3 H 1 2.964 0.05 . 2 . . . . 81 PHE HB3 . 17505 1 868 . 1 1 81 81 PHE C C 13 174.484 0.05 . 1 . . . . 81 PHE C . 17505 1 869 . 1 1 81 81 PHE CA C 13 56.318 0.05 . 1 . . . . 81 PHE CA . 17505 1 870 . 1 1 81 81 PHE CB C 13 40.928 0.05 . 1 . . . . 81 PHE CB . 17505 1 871 . 1 1 81 81 PHE N N 15 122.513 0.05 . 1 . . . . 81 PHE N . 17505 1 872 . 1 1 82 82 SER H H 1 7.777 0.05 . 1 . . . . 82 SER HN . 17505 1 873 . 1 1 82 82 SER HA H 1 5.713 0.05 . 1 . . . . 82 SER HA . 17505 1 874 . 1 1 82 82 SER HB2 H 1 3.712 0.05 . 2 . . . . 82 SER HB2 . 17505 1 875 . 1 1 82 82 SER HB3 H 1 3.712 0.05 . 2 . . . . 82 SER HB3 . 17505 1 876 . 1 1 82 82 SER C C 13 171.583 0.05 . 1 . . . . 82 SER C . 17505 1 877 . 1 1 82 82 SER CA C 13 57.074 0.05 . 1 . . . . 82 SER CA . 17505 1 878 . 1 1 82 82 SER CB C 13 66.808 0.05 . 1 . . . . 82 SER CB . 17505 1 879 . 1 1 82 82 SER N N 15 121.564 0.05 . 1 . . . . 82 SER N . 17505 1 880 . 1 1 83 83 ASN H H 1 9.080 0.05 . 1 . . . . 83 ASN HN . 17505 1 881 . 1 1 83 83 ASN HA H 1 4.299 0.05 . 1 . . . . 83 ASN HA . 17505 1 882 . 1 1 83 83 ASN HD21 H 1 6.757 0.05 . 2 . . . . 83 ASN HD21 . 17505 1 883 . 1 1 83 83 ASN HD22 H 1 7.590 0.05 . 2 . . . . 83 ASN HD22 . 17505 1 884 . 1 1 83 83 ASN C C 13 173.284 0.05 . 1 . . . . 83 ASN C . 17505 1 885 . 1 1 83 83 ASN CA C 13 54.092 0.05 . 1 . . . . 83 ASN CA . 17505 1 886 . 1 1 83 83 ASN CB C 13 37.275 0.05 . 1 . . . . 83 ASN CB . 17505 1 887 . 1 1 83 83 ASN N N 15 115.367 0.05 . 1 . . . . 83 ASN N . 17505 1 888 . 1 1 83 83 ASN ND2 N 15 114.539 0.05 . 1 . . . . 83 ASN ND2 . 17505 1 889 . 1 1 84 84 GLU H H 1 8.384 0.05 . 1 . . . . 84 GLU HN . 17505 1 890 . 1 1 84 84 GLU HA H 1 5.208 0.05 . 1 . . . . 84 GLU HA . 17505 1 891 . 1 1 84 84 GLU HB2 H 1 1.733 0.05 . 2 . . . . 84 GLU HB2 . 17505 1 892 . 1 1 84 84 GLU HB3 H 1 1.733 0.05 . 2 . . . . 84 GLU HB3 . 17505 1 893 . 1 1 84 84 GLU HG2 H 1 1.972 0.05 . 2 . . . . 84 GLU HG2 . 17505 1 894 . 1 1 84 84 GLU HG3 H 1 1.972 0.05 . 2 . . . . 84 GLU HG3 . 17505 1 895 . 1 1 84 84 GLU C C 13 176.517 0.05 . 1 . . . . 84 GLU C . 17505 1 896 . 1 1 84 84 GLU CA C 13 56.569 0.05 . 1 . . . . 84 GLU CA . 17505 1 897 . 1 1 84 84 GLU CB C 13 29.536 0.05 . 1 . . . . 84 GLU CB . 17505 1 898 . 1 1 84 84 GLU CG C 13 36.790 0.05 . 1 . . . . 84 GLU CG . 17505 1 899 . 1 1 84 84 GLU N N 15 119.304 0.05 . 1 . . . . 84 GLU N . 17505 1 900 . 1 1 85 85 LYS H H 1 9.063 0.05 . 1 . . . . 85 LYS HN . 17505 1 901 . 1 1 85 85 LYS HA H 1 4.774 0.05 . 1 . . . . 85 LYS HA . 17505 1 902 . 1 1 85 85 LYS HB2 H 1 1.647 0.05 . 2 . . . . 85 LYS HB2 . 17505 1 903 . 1 1 85 85 LYS HB3 H 1 1.647 0.05 . 2 . . . . 85 LYS HB3 . 17505 1 904 . 1 1 85 85 LYS HG2 H 1 1.050 0.05 . 2 . . . . 85 LYS HG2 . 17505 1 905 . 1 1 85 85 LYS HG3 H 1 1.050 0.05 . 2 . . . . 85 LYS HG3 . 17505 1 906 . 1 1 85 85 LYS HD2 H 1 1.355 0.05 . 2 . . . . 85 LYS HD2 . 17505 1 907 . 1 1 85 85 LYS HD3 H 1 1.355 0.05 . 2 . . . . 85 LYS HD3 . 17505 1 908 . 1 1 85 85 LYS C C 13 174.111 0.05 . 1 . . . . 85 LYS C . 17505 1 909 . 1 1 85 85 LYS CA C 13 54.907 0.05 . 1 . . . . 85 LYS CA . 17505 1 910 . 1 1 85 85 LYS CB C 13 35.333 0.05 . 1 . . . . 85 LYS CB . 17505 1 911 . 1 1 85 85 LYS CG C 13 23.218 0.05 . 1 . . . . 85 LYS CG . 17505 1 912 . 1 1 85 85 LYS CD C 13 29.401 0.05 . 1 . . . . 85 LYS CD . 17505 1 913 . 1 1 85 85 LYS CE C 13 42.213 0.05 . 1 . . . . 85 LYS CE . 17505 1 914 . 1 1 85 85 LYS N N 15 125.455 0.05 . 1 . . . . 85 LYS N . 17505 1 915 . 1 1 86 86 THR H H 1 8.484 0.05 . 1 . . . . 86 THR HN . 17505 1 916 . 1 1 86 86 THR HA H 1 4.746 0.05 . 1 . . . . 86 THR HA . 17505 1 917 . 1 1 86 86 THR HB H 1 3.909 0.05 . 1 . . . . 86 THR HB . 17505 1 918 . 1 1 86 86 THR HG21 H 1 1.197 0.05 . 1 . . . . 86 THR HG . 17505 1 919 . 1 1 86 86 THR HG22 H 1 1.197 0.05 . 1 . . . . 86 THR HG . 17505 1 920 . 1 1 86 86 THR HG23 H 1 1.197 0.05 . 1 . . . . 86 THR HG . 17505 1 921 . 1 1 86 86 THR C C 13 173.699 0.05 . 1 . . . . 86 THR C . 17505 1 922 . 1 1 86 86 THR CA C 13 62.908 0.05 . 1 . . . . 86 THR CA . 17505 1 923 . 1 1 86 86 THR CB C 13 69.567 0.05 . 1 . . . . 86 THR CB . 17505 1 924 . 1 1 86 86 THR CG2 C 13 22.102 0.05 . 1 . . . . 86 THR CG2 . 17505 1 925 . 1 1 86 86 THR N N 15 118.047 0.05 . 1 . . . . 86 THR N . 17505 1 926 . 1 1 87 87 ILE H H 1 7.748 0.05 . 1 . . . . 87 ILE HN . 17505 1 927 . 1 1 87 87 ILE HA H 1 4.697 0.05 . 1 . . . . 87 ILE HA . 17505 1 928 . 1 1 87 87 ILE HB H 1 1.873 0.05 . 1 . . . . 87 ILE HB . 17505 1 929 . 1 1 87 87 ILE HG12 H 1 0.916 0.05 . 2 . . . . 87 ILE HG12 . 17505 1 930 . 1 1 87 87 ILE HG13 H 1 0.638 0.05 . 2 . . . . 87 ILE HG13 . 17505 1 931 . 1 1 87 87 ILE HG21 H 1 0.752 0.05 . 1 . . . . 87 ILE HG2 . 17505 1 932 . 1 1 87 87 ILE HG22 H 1 0.752 0.05 . 1 . . . . 87 ILE HG2 . 17505 1 933 . 1 1 87 87 ILE HG23 H 1 0.752 0.05 . 1 . . . . 87 ILE HG2 . 17505 1 934 . 1 1 87 87 ILE HD11 H 1 0.393 0.05 . 1 . . . . 87 ILE HD1 . 17505 1 935 . 1 1 87 87 ILE HD12 H 1 0.393 0.05 . 1 . . . . 87 ILE HD1 . 17505 1 936 . 1 1 87 87 ILE HD13 H 1 0.393 0.05 . 1 . . . . 87 ILE HD1 . 17505 1 937 . 1 1 87 87 ILE C C 13 174.146 0.05 . 1 . . . . 87 ILE C . 17505 1 938 . 1 1 87 87 ILE CA C 13 59.412 0.05 . 1 . . . . 87 ILE CA . 17505 1 939 . 1 1 87 87 ILE CB C 13 41.796 0.05 . 1 . . . . 87 ILE CB . 17505 1 940 . 1 1 87 87 ILE CG1 C 13 25.614 0.05 . 1 . . . . 87 ILE CG1 . 17505 1 941 . 1 1 87 87 ILE CG2 C 13 18.969 0.05 . 1 . . . . 87 ILE CG2 . 17505 1 942 . 1 1 87 87 ILE CD1 C 13 13.916 0.05 . 1 . . . . 87 ILE CD1 . 17505 1 943 . 1 1 87 87 ILE N N 15 117.815 0.05 . 1 . . . . 87 ILE N . 17505 1 944 . 1 1 88 88 SER H H 1 8.798 0.05 . 1 . . . . 88 SER HN . 17505 1 945 . 1 1 88 88 SER HA H 1 3.735 0.05 . 1 . . . . 88 SER HA . 17505 1 946 . 1 1 88 88 SER C C 13 173.601 0.05 . 1 . . . . 88 SER C . 17505 1 947 . 1 1 88 88 SER CA C 13 59.309 0.05 . 1 . . . . 88 SER CA . 17505 1 948 . 1 1 88 88 SER CB C 13 64.045 0.05 . 1 . . . . 88 SER CB . 17505 1 949 . 1 1 88 88 SER N N 15 114.500 0.05 . 1 . . . . 88 SER N . 17505 1 950 . 1 1 89 89 LYS H H 1 7.150 0.05 . 1 . . . . 89 LYS HN . 17505 1 951 . 1 1 89 89 LYS HA H 1 4.219 0.05 . 1 . . . . 89 LYS HA . 17505 1 952 . 1 1 89 89 LYS HB2 H 1 1.548 0.05 . 2 . . . . 89 LYS HB2 . 17505 1 953 . 1 1 89 89 LYS HB3 H 1 1.548 0.05 . 2 . . . . 89 LYS HB3 . 17505 1 954 . 1 1 89 89 LYS HG2 H 1 1.053 0.05 . 2 . . . . 89 LYS HG2 . 17505 1 955 . 1 1 89 89 LYS HG3 H 1 1.053 0.05 . 2 . . . . 89 LYS HG3 . 17505 1 956 . 1 1 89 89 LYS HD2 H 1 1.201 0.05 . 2 . . . . 89 LYS HD2 . 17505 1 957 . 1 1 89 89 LYS HD3 H 1 1.201 0.05 . 2 . . . . 89 LYS HD3 . 17505 1 958 . 1 1 89 89 LYS HE2 H 1 2.786 0.05 . 2 . . . . 89 LYS HE2 . 17505 1 959 . 1 1 89 89 LYS HE3 H 1 2.786 0.05 . 2 . . . . 89 LYS HE3 . 17505 1 960 . 1 1 89 89 LYS C C 13 173.597 0.05 . 1 . . . . 89 LYS C . 17505 1 961 . 1 1 89 89 LYS CA C 13 55.277 0.05 . 1 . . . . 89 LYS CA . 17505 1 962 . 1 1 89 89 LYS CB C 13 35.078 0.05 . 1 . . . . 89 LYS CB . 17505 1 963 . 1 1 89 89 LYS CG C 13 23.492 0.05 . 1 . . . . 89 LYS CG . 17505 1 964 . 1 1 89 89 LYS CD C 13 29.323 0.05 . 1 . . . . 89 LYS CD . 17505 1 965 . 1 1 89 89 LYS CE C 13 42.037 0.05 . 1 . . . . 89 LYS CE . 17505 1 966 . 1 1 89 89 LYS N N 15 118.571 0.05 . 1 . . . . 89 LYS N . 17505 1 967 . 1 1 90 90 LEU H H 1 8.589 0.05 . 1 . . . . 90 LEU HN . 17505 1 968 . 1 1 90 90 LEU HA H 1 4.108 0.05 . 1 . . . . 90 LEU HA . 17505 1 969 . 1 1 90 90 LEU HB2 H 1 1.783 0.05 . 2 . . . . 90 LEU HB2 . 17505 1 970 . 1 1 90 90 LEU HB3 H 1 1.464 0.05 . 2 . . . . 90 LEU HB3 . 17505 1 971 . 1 1 90 90 LEU C C 13 177.879 0.05 . 1 . . . . 90 LEU C . 17505 1 972 . 1 1 90 90 LEU CA C 13 55.287 0.05 . 1 . . . . 90 LEU CA . 17505 1 973 . 1 1 90 90 LEU CB C 13 42.179 0.05 . 1 . . . . 90 LEU CB . 17505 1 974 . 1 1 90 90 LEU CG C 13 25.313 0.05 . 1 . . . . 90 LEU CG . 17505 1 975 . 1 1 90 90 LEU CD1 C 13 22.563 0.05 . 2 . . . . 90 LEU CD1 . 17505 1 976 . 1 1 90 90 LEU CD2 C 13 22.222 0.05 . 2 . . . . 90 LEU CD2 . 17505 1 977 . 1 1 90 90 LEU N N 15 121.639 0.05 . 1 . . . . 90 LEU N . 17505 1 978 . 1 1 91 91 GLU H H 1 9.181 0.05 . 1 . . . . 91 GLU HN . 17505 1 979 . 1 1 91 91 GLU HA H 1 3.952 0.05 . 1 . . . . 91 GLU HA . 17505 1 980 . 1 1 91 91 GLU HB2 H 1 1.545 0.05 . 2 . . . . 91 GLU HB2 . 17505 1 981 . 1 1 91 91 GLU HB3 H 1 1.545 0.05 . 2 . . . . 91 GLU HB3 . 17505 1 982 . 1 1 91 91 GLU HG2 H 1 1.877 0.05 . 2 . . . . 91 GLU HG2 . 17505 1 983 . 1 1 91 91 GLU HG3 H 1 2.178 0.05 . 2 . . . . 91 GLU HG3 . 17505 1 984 . 1 1 91 91 GLU C C 13 173.485 0.05 . 1 . . . . 91 GLU C . 17505 1 985 . 1 1 91 91 GLU CA C 13 56.063 0.05 . 1 . . . . 91 GLU CA . 17505 1 986 . 1 1 91 91 GLU CB C 13 29.878 0.05 . 1 . . . . 91 GLU CB . 17505 1 987 . 1 1 91 91 GLU CG C 13 37.196 0.05 . 1 . . . . 91 GLU CG . 17505 1 988 . 1 1 91 91 GLU N N 15 119.460 0.05 . 1 . . . . 91 GLU N . 17505 1 989 . 1 1 92 92 TYR H H 1 6.809 0.05 . 1 . . . . 92 TYR HN . 17505 1 990 . 1 1 92 92 TYR HA H 1 4.713 0.05 . 1 . . . . 92 TYR HA . 17505 1 991 . 1 1 92 92 TYR HB2 H 1 3.608 0.05 . 2 . . . . 92 TYR HB2 . 17505 1 992 . 1 1 92 92 TYR HB3 H 1 2.356 0.05 . 2 . . . . 92 TYR HB3 . 17505 1 993 . 1 1 92 92 TYR HD1 H 1 6.928 0.05 . 3 . . . . 92 TYR HD1 . 17505 1 994 . 1 1 92 92 TYR HD2 H 1 6.928 0.05 . 3 . . . . 92 TYR HD2 . 17505 1 995 . 1 1 92 92 TYR HE1 H 1 6.748 0.05 . 3 . . . . 92 TYR HE1 . 17505 1 996 . 1 1 92 92 TYR HE2 H 1 6.748 0.05 . 3 . . . . 92 TYR HE2 . 17505 1 997 . 1 1 92 92 TYR C C 13 174.387 0.05 . 1 . . . . 92 TYR C . 17505 1 998 . 1 1 92 92 TYR CA C 13 55.925 0.05 . 1 . . . . 92 TYR CA . 17505 1 999 . 1 1 92 92 TYR CB C 13 42.748 0.05 . 1 . . . . 92 TYR CB . 17505 1 1000 . 1 1 92 92 TYR N N 15 113.805 0.05 . 1 . . . . 92 TYR N . 17505 1 1001 . 1 1 93 93 SER H H 1 9.042 0.05 . 1 . . . . 93 SER HN . 17505 1 1002 . 1 1 93 93 SER HA H 1 4.523 0.05 . 1 . . . . 93 SER HA . 17505 1 1003 . 1 1 93 93 SER HB2 H 1 3.719 0.05 . 2 . . . . 93 SER HB2 . 17505 1 1004 . 1 1 93 93 SER HB3 H 1 3.859 0.05 . 2 . . . . 93 SER HB3 . 17505 1 1005 . 1 1 93 93 SER C C 13 172.728 0.05 . 1 . . . . 93 SER C . 17505 1 1006 . 1 1 93 93 SER CA C 13 58.394 0.05 . 1 . . . . 93 SER CA . 17505 1 1007 . 1 1 93 93 SER CB C 13 64.272 0.05 . 1 . . . . 93 SER CB . 17505 1 1008 . 1 1 93 93 SER N N 15 114.265 0.05 . 1 . . . . 93 SER N . 17505 1 1009 . 1 1 94 94 ASN H H 1 7.971 0.05 . 1 . . . . 94 ASN HN . 17505 1 1010 . 1 1 94 94 ASN HA H 1 4.846 0.05 . 1 . . . . 94 ASN HA . 17505 1 1011 . 1 1 94 94 ASN HB2 H 1 2.614 0.05 . 2 . . . . 94 ASN HB2 . 17505 1 1012 . 1 1 94 94 ASN HB3 H 1 2.743 0.05 . 2 . . . . 94 ASN HB3 . 17505 1 1013 . 1 1 94 94 ASN HD21 H 1 7.680 0.05 . 2 . . . . 94 ASN HD21 . 17505 1 1014 . 1 1 94 94 ASN HD22 H 1 6.589 0.05 . 2 . . . . 94 ASN HD22 . 17505 1 1015 . 1 1 94 94 ASN C C 13 173.849 0.05 . 1 . . . . 94 ASN C . 17505 1 1016 . 1 1 94 94 ASN CA C 13 51.410 0.05 . 1 . . . . 94 ASN CA . 17505 1 1017 . 1 1 94 94 ASN CB C 13 40.690 0.05 . 1 . . . . 94 ASN CB . 17505 1 1018 . 1 1 94 94 ASN N N 15 118.511 0.05 . 1 . . . . 94 ASN N . 17505 1 1019 . 1 1 94 94 ASN ND2 N 15 111.862 0.05 . 1 . . . . 94 ASN ND2 . 17505 1 1020 . 1 1 95 95 PHE H H 1 8.964 0.05 . 1 . . . . 95 PHE HN . 17505 1 1021 . 1 1 95 95 PHE HA H 1 5.823 0.05 . 1 . . . . 95 PHE HA . 17505 1 1022 . 1 1 95 95 PHE HB2 H 1 2.777 0.05 . 2 . . . . 95 PHE HB2 . 17505 1 1023 . 1 1 95 95 PHE HB3 H 1 2.986 0.05 . 2 . . . . 95 PHE HB3 . 17505 1 1024 . 1 1 95 95 PHE HD1 H 1 7.291 0.05 . 3 . . . . 95 PHE HD1 . 17505 1 1025 . 1 1 95 95 PHE HD2 H 1 7.291 0.05 . 3 . . . . 95 PHE HD2 . 17505 1 1026 . 1 1 95 95 PHE HE1 H 1 7.187 0.05 . 3 . . . . 95 PHE HE1 . 17505 1 1027 . 1 1 95 95 PHE HE2 H 1 7.187 0.05 . 3 . . . . 95 PHE HE2 . 17505 1 1028 . 1 1 95 95 PHE C C 13 174.516 0.05 . 1 . . . . 95 PHE C . 17505 1 1029 . 1 1 95 95 PHE CA C 13 56.903 0.05 . 1 . . . . 95 PHE CA . 17505 1 1030 . 1 1 95 95 PHE CB C 13 40.635 0.05 . 1 . . . . 95 PHE CB . 17505 1 1031 . 1 1 95 95 PHE N N 15 125.173 0.05 . 1 . . . . 95 PHE N . 17505 1 1032 . 1 1 96 96 SER H H 1 9.084 0.05 . 1 . . . . 96 SER HN . 17505 1 1033 . 1 1 96 96 SER HA H 1 4.854 0.05 . 1 . . . . 96 SER HA . 17505 1 1034 . 1 1 96 96 SER HB2 H 1 3.657 0.05 . 2 . . . . 96 SER HB2 . 17505 1 1035 . 1 1 96 96 SER HB3 H 1 3.578 0.05 . 2 . . . . 96 SER HB3 . 17505 1 1036 . 1 1 96 96 SER C C 13 171.587 0.05 . 1 . . . . 96 SER C . 17505 1 1037 . 1 1 96 96 SER CA C 13 57.394 0.05 . 1 . . . . 96 SER CA . 17505 1 1038 . 1 1 96 96 SER CB C 13 66.811 0.05 . 1 . . . . 96 SER CB . 17505 1 1039 . 1 1 96 96 SER N N 15 115.350 0.05 . 1 . . . . 96 SER N . 17505 1 1040 . 1 1 97 97 ILE H H 1 8.379 0.05 . 1 . . . . 97 ILE HN . 17505 1 1041 . 1 1 97 97 ILE HA H 1 4.247 0.05 . 1 . . . . 97 ILE HA . 17505 1 1042 . 1 1 97 97 ILE HB H 1 1.623 0.05 . 1 . . . . 97 ILE HB . 17505 1 1043 . 1 1 97 97 ILE HG12 H 1 1.421 0.05 . 2 . . . . 97 ILE HG12 . 17505 1 1044 . 1 1 97 97 ILE HG13 H 1 1.454 0.05 . 2 . . . . 97 ILE HG13 . 17505 1 1045 . 1 1 97 97 ILE HG21 H 1 0.530 0.05 . 1 . . . . 97 ILE HG2 . 17505 1 1046 . 1 1 97 97 ILE HG22 H 1 0.530 0.05 . 1 . . . . 97 ILE HG2 . 17505 1 1047 . 1 1 97 97 ILE HG23 H 1 0.530 0.05 . 1 . . . . 97 ILE HG2 . 17505 1 1048 . 1 1 97 97 ILE HD11 H 1 0.291 0.05 . 1 . . . . 97 ILE HD1 . 17505 1 1049 . 1 1 97 97 ILE HD12 H 1 0.291 0.05 . 1 . . . . 97 ILE HD1 . 17505 1 1050 . 1 1 97 97 ILE HD13 H 1 0.291 0.05 . 1 . . . . 97 ILE HD1 . 17505 1 1051 . 1 1 97 97 ILE C C 13 175.346 0.05 . 1 . . . . 97 ILE C . 17505 1 1052 . 1 1 97 97 ILE CA C 13 61.404 0.05 . 1 . . . . 97 ILE CA . 17505 1 1053 . 1 1 97 97 ILE CB C 13 39.167 0.05 . 1 . . . . 97 ILE CB . 17505 1 1054 . 1 1 97 97 ILE CG1 C 13 27.766 0.05 . 1 . . . . 97 ILE CG1 . 17505 1 1055 . 1 1 97 97 ILE CG2 C 13 17.967 0.05 . 1 . . . . 97 ILE CG2 . 17505 1 1056 . 1 1 97 97 ILE CD1 C 13 13.784 0.05 . 1 . . . . 97 ILE CD1 . 17505 1 1057 . 1 1 97 97 ILE N N 15 121.596 0.05 . 1 . . . . 97 ILE N . 17505 1 1058 . 1 1 98 98 ARG H H 1 8.814 0.05 . 1 . . . . 98 ARG HN . 17505 1 1059 . 1 1 98 98 ARG HA H 1 4.413 0.05 . 1 . . . . 98 ARG HA . 17505 1 1060 . 1 1 98 98 ARG HB2 H 1 1.680 0.05 . 2 . . . . 98 ARG HB2 . 17505 1 1061 . 1 1 98 98 ARG HB3 H 1 1.715 0.05 . 2 . . . . 98 ARG HB3 . 17505 1 1062 . 1 1 98 98 ARG HG2 H 1 1.362 0.05 . 2 . . . . 98 ARG HG2 . 17505 1 1063 . 1 1 98 98 ARG HG3 H 1 1.411 0.05 . 2 . . . . 98 ARG HG3 . 17505 1 1064 . 1 1 98 98 ARG HD2 H 1 2.533 0.05 . 2 . . . . 98 ARG HD2 . 17505 1 1065 . 1 1 98 98 ARG HD3 H 1 2.497 0.05 . 2 . . . . 98 ARG HD3 . 17505 1 1066 . 1 1 98 98 ARG C C 13 173.034 0.05 . 1 . . . . 98 ARG C . 17505 1 1067 . 1 1 98 98 ARG CA C 13 54.822 0.05 . 1 . . . . 98 ARG CA . 17505 1 1068 . 1 1 98 98 ARG CB C 13 32.586 0.05 . 1 . . . . 98 ARG CB . 17505 1 1069 . 1 1 98 98 ARG CG C 13 27.210 0.05 . 1 . . . . 98 ARG CG . 17505 1 1070 . 1 1 98 98 ARG CD C 13 43.244 0.05 . 1 . . . . 98 ARG CD . 17505 1 1071 . 1 1 98 98 ARG N N 15 127.732 0.05 . 1 . . . . 98 ARG N . 17505 1 1072 . 1 1 99 99 TYR H H 1 8.125 0.05 . 1 . . . . 99 TYR HN . 17505 1 1073 . 1 1 99 99 TYR HA H 1 4.314 0.05 . 1 . . . . 99 TYR HA . 17505 1 1074 . 1 1 99 99 TYR C C 13 180.367 0.05 . 1 . . . . 99 TYR C . 17505 1 1075 . 1 1 99 99 TYR CA C 13 60.492 0.05 . 1 . . . . 99 TYR CA . 17505 1 1076 . 1 1 99 99 TYR CB C 13 40.475 0.05 . 1 . . . . 99 TYR CB . 17505 1 1077 . 1 1 99 99 TYR N N 15 125.736 0.05 . 1 . . . . 99 TYR N . 17505 1 stop_ save_