data_19732 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19732 _Entry.Title ; The solution NMR structure of the NLRC5 caspase recruitment domain (CARD) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-01-12 _Entry.Accession_date 2014-01-12 _Entry.Last_release_date 2014-05-13 _Entry.Original_release_date 2014-05-13 _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 Petrus Gutte . G.M. . 19732 2 Oliver Zerbe . . . 19732 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19732 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID CARD . 19732 NLRC5 . 19732 RIG-I . 19732 'Solution NMR' . 19732 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19732 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 429 19732 '15N chemical shifts' 99 19732 '1H chemical shifts' 674 19732 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2014-05-13 2014-01-12 original author . 19732 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MJM 'BMRB Entry Tracking System' 19732 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19732 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1021/bi500177x _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'The solution NMR structure of the NLRC5 caspase recruitment domain (CARD) reveals unusual structural features' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 53 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 3106 _Citation.Page_last 3117 _Citation.Year . _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 Petrus Gutte . G.M. . 19732 1 2 Simon Jurt . . . 19732 1 3 Markus Gruetter . G. . 19732 1 4 Oliver Zerbe . . . 19732 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19732 _Assembly.ID 1 _Assembly.Name 'NLRC5 caspase recruitment domain (CARD)' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 NLRC5_CARD 1 $NLRC5_CARD A . yes native no no . . . 19732 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_NLRC5_CARD _Entity.Sf_category entity _Entity.Sf_framecode NLRC5_CARD _Entity.Entry_ID 19732 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPLGSMDAESIRLNNENLWA WLVRLLSKNPEWLSAKLRSF LPTMDLDCSYEPSNPEVIHR QLNRLFAQGMATWKSFINDL CFELDVPLDMEIPLVSIWGP R ; _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 101 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'NLRC5, Residues 1-96' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11669.501 _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 yes UNP C3VPR6 . NLRC5 . . . . . . . . . . . . . . 19732 1 2 no PDB 2MJM . "The Solution Nmr Structure Of The Nlrc5 Caspase Recruitment Domain (card)" . . . . . 100.00 101 100.00 100.00 8.21e-66 . . . . 19732 1 3 no GB ACP40992 . "NLRC5 [Mus musculus]" . . . . . 95.05 1915 100.00 100.00 4.98e-58 . . . . 19732 1 4 no REF NP_001028379 . "protein NLRC5 [Mus musculus]" . . . . . 95.05 1915 100.00 100.00 4.98e-58 . . . . 19732 1 5 no REF XP_006531225 . "PREDICTED: protein NLRC5 isoform X1 [Mus musculus]" . . . . . 95.05 1915 100.00 100.00 4.98e-58 . . . . 19732 1 6 no REF XP_006531226 . "PREDICTED: protein NLRC5 isoform X1 [Mus musculus]" . . . . . 95.05 1915 100.00 100.00 4.98e-58 . . . . 19732 1 7 no REF XP_006531227 . "PREDICTED: protein NLRC5 isoform X2 [Mus musculus]" . . . . . 95.05 1887 100.00 100.00 4.67e-58 . . . . 19732 1 8 no REF XP_006531228 . "PREDICTED: protein NLRC5 isoform X3 [Mus musculus]" . . . . . 95.05 1885 100.00 100.00 5.29e-58 . . . . 19732 1 9 no SP C3VPR6 . "RecName: Full=Protein NLRC5" . . . . . 95.05 1915 100.00 100.00 4.98e-58 . . . . 19732 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 1 GLY . 19732 1 2 2 PRO . 19732 1 3 3 LEU . 19732 1 4 4 GLY . 19732 1 5 5 SER . 19732 1 6 6 MET . 19732 1 7 7 ASP . 19732 1 8 8 ALA . 19732 1 9 9 GLU . 19732 1 10 10 SER . 19732 1 11 11 ILE . 19732 1 12 12 ARG . 19732 1 13 13 LEU . 19732 1 14 14 ASN . 19732 1 15 15 ASN . 19732 1 16 16 GLU . 19732 1 17 17 ASN . 19732 1 18 18 LEU . 19732 1 19 19 TRP . 19732 1 20 20 ALA . 19732 1 21 21 TRP . 19732 1 22 22 LEU . 19732 1 23 23 VAL . 19732 1 24 24 ARG . 19732 1 25 25 LEU . 19732 1 26 26 LEU . 19732 1 27 27 SER . 19732 1 28 28 LYS . 19732 1 29 29 ASN . 19732 1 30 30 PRO . 19732 1 31 31 GLU . 19732 1 32 32 TRP . 19732 1 33 33 LEU . 19732 1 34 34 SER . 19732 1 35 35 ALA . 19732 1 36 36 LYS . 19732 1 37 37 LEU . 19732 1 38 38 ARG . 19732 1 39 39 SER . 19732 1 40 40 PHE . 19732 1 41 41 LEU . 19732 1 42 42 PRO . 19732 1 43 43 THR . 19732 1 44 44 MET . 19732 1 45 45 ASP . 19732 1 46 46 LEU . 19732 1 47 47 ASP . 19732 1 48 48 CYS . 19732 1 49 49 SER . 19732 1 50 50 TYR . 19732 1 51 51 GLU . 19732 1 52 52 PRO . 19732 1 53 53 SER . 19732 1 54 54 ASN . 19732 1 55 55 PRO . 19732 1 56 56 GLU . 19732 1 57 57 VAL . 19732 1 58 58 ILE . 19732 1 59 59 HIS . 19732 1 60 60 ARG . 19732 1 61 61 GLN . 19732 1 62 62 LEU . 19732 1 63 63 ASN . 19732 1 64 64 ARG . 19732 1 65 65 LEU . 19732 1 66 66 PHE . 19732 1 67 67 ALA . 19732 1 68 68 GLN . 19732 1 69 69 GLY . 19732 1 70 70 MET . 19732 1 71 71 ALA . 19732 1 72 72 THR . 19732 1 73 73 TRP . 19732 1 74 74 LYS . 19732 1 75 75 SER . 19732 1 76 76 PHE . 19732 1 77 77 ILE . 19732 1 78 78 ASN . 19732 1 79 79 ASP . 19732 1 80 80 LEU . 19732 1 81 81 CYS . 19732 1 82 82 PHE . 19732 1 83 83 GLU . 19732 1 84 84 LEU . 19732 1 85 85 ASP . 19732 1 86 86 VAL . 19732 1 87 87 PRO . 19732 1 88 88 LEU . 19732 1 89 89 ASP . 19732 1 90 90 MET . 19732 1 91 91 GLU . 19732 1 92 92 ILE . 19732 1 93 93 PRO . 19732 1 94 94 LEU . 19732 1 95 95 VAL . 19732 1 96 96 SER . 19732 1 97 97 ILE . 19732 1 98 98 TRP . 19732 1 99 99 GLY . 19732 1 100 100 PRO . 19732 1 101 101 ARG . 19732 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 19732 1 . PRO 2 2 19732 1 . LEU 3 3 19732 1 . GLY 4 4 19732 1 . SER 5 5 19732 1 . MET 6 6 19732 1 . ASP 7 7 19732 1 . ALA 8 8 19732 1 . GLU 9 9 19732 1 . SER 10 10 19732 1 . ILE 11 11 19732 1 . ARG 12 12 19732 1 . LEU 13 13 19732 1 . ASN 14 14 19732 1 . ASN 15 15 19732 1 . GLU 16 16 19732 1 . ASN 17 17 19732 1 . LEU 18 18 19732 1 . TRP 19 19 19732 1 . ALA 20 20 19732 1 . TRP 21 21 19732 1 . LEU 22 22 19732 1 . VAL 23 23 19732 1 . ARG 24 24 19732 1 . LEU 25 25 19732 1 . LEU 26 26 19732 1 . SER 27 27 19732 1 . LYS 28 28 19732 1 . ASN 29 29 19732 1 . PRO 30 30 19732 1 . GLU 31 31 19732 1 . TRP 32 32 19732 1 . LEU 33 33 19732 1 . SER 34 34 19732 1 . ALA 35 35 19732 1 . LYS 36 36 19732 1 . LEU 37 37 19732 1 . ARG 38 38 19732 1 . SER 39 39 19732 1 . PHE 40 40 19732 1 . LEU 41 41 19732 1 . PRO 42 42 19732 1 . THR 43 43 19732 1 . MET 44 44 19732 1 . ASP 45 45 19732 1 . LEU 46 46 19732 1 . ASP 47 47 19732 1 . CYS 48 48 19732 1 . SER 49 49 19732 1 . TYR 50 50 19732 1 . GLU 51 51 19732 1 . PRO 52 52 19732 1 . SER 53 53 19732 1 . ASN 54 54 19732 1 . PRO 55 55 19732 1 . GLU 56 56 19732 1 . VAL 57 57 19732 1 . ILE 58 58 19732 1 . HIS 59 59 19732 1 . ARG 60 60 19732 1 . GLN 61 61 19732 1 . LEU 62 62 19732 1 . ASN 63 63 19732 1 . ARG 64 64 19732 1 . LEU 65 65 19732 1 . PHE 66 66 19732 1 . ALA 67 67 19732 1 . GLN 68 68 19732 1 . GLY 69 69 19732 1 . MET 70 70 19732 1 . ALA 71 71 19732 1 . THR 72 72 19732 1 . TRP 73 73 19732 1 . LYS 74 74 19732 1 . SER 75 75 19732 1 . PHE 76 76 19732 1 . ILE 77 77 19732 1 . ASN 78 78 19732 1 . ASP 79 79 19732 1 . LEU 80 80 19732 1 . CYS 81 81 19732 1 . PHE 82 82 19732 1 . GLU 83 83 19732 1 . LEU 84 84 19732 1 . ASP 85 85 19732 1 . VAL 86 86 19732 1 . PRO 87 87 19732 1 . LEU 88 88 19732 1 . ASP 89 89 19732 1 . MET 90 90 19732 1 . GLU 91 91 19732 1 . ILE 92 92 19732 1 . PRO 93 93 19732 1 . LEU 94 94 19732 1 . VAL 95 95 19732 1 . SER 96 96 19732 1 . ILE 97 97 19732 1 . TRP 98 98 19732 1 . GLY 99 99 19732 1 . PRO 100 100 19732 1 . ARG 101 101 19732 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 19732 _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 $NLRC5_CARD . 10090 organism . 'Mus musculus' 'house mouse' . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . Nlrc5 . . . . 19732 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 19732 _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 $NLRC5_CARD . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli K12 'BL21 (DE3)' . . . . . . . . . . . . . . pGEX-6p-1 . . . . . . 19732 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19732 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 NLRC5_CARD '[U-100% 13C; U-100% 15N]' . . 1 $NLRC5_CARD . . 600 . . uM . . . . 19732 1 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 19732 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 19732 1 4 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 19732 1 5 TCEP 'natural abundance' . . . . . . 2 . . mM . . . . 19732 1 6 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19732 1 7 D2O '[U-100% 2H]' . . . . . . 5 . . % . . . . 19732 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 19732 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0 . M 19732 1 pH 6.2 . pH 19732 1 pressure 1 . atm 19732 1 temperature 310 . K 19732 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19732 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19732 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19732 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 19732 _Software.ID 2 _Software.Name CARA _Software.Version 1.8.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 19732 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19732 2 stop_ save_ save_UNIO _Software.Sf_category software _Software.Sf_framecode UNIO _Software.Entry_ID 19732 _Software.ID 3 _Software.Name UNIO _Software.Version 10 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Torsten Herrmann' . . 19732 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 19732 3 'structure solution' 19732 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19732 _Software.ID 4 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 19732 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19732 4 stop_ save_ save_CHARMM _Software.Sf_category software _Software.Sf_framecode CHARMM _Software.Entry_ID 19732 _Software.ID 5 _Software.Name CHARMM _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'B. R. Brooks, C. L. Brooks III, D. M. York, and M. Karplus' . . 19732 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19732 5 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 19732 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19732 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19732 _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 . 600 . . . 19732 1 2 spectrometer_2 Bruker Avance . 700 . . . 19732 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 19732 _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 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19732 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19732 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19732 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19732 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19732 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19732 1 7 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19732 1 8 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19732 1 9 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19732 1 10 HB(CBCGCD)HD no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19732 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 19732 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 'proton referencing via solvent frequency (4.63 ppm at 310 K)' loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19732 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19732 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19732 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 19732 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 19732 1 2 '2D 1H-13C HSQC aliphatic' . . . 19732 1 3 '2D 1H-13C HSQC aromatic' . . . 19732 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $CARA . . 19732 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 1 1 GLY HA2 H 1 3.919 0.025 . 2 . . . A 1 GLY HA2 . 19732 1 2 . 1 1 1 1 GLY HA3 H 1 3.919 0.025 . 2 . . . A 1 GLY HA3 . 19732 1 3 . 1 1 1 1 GLY CA C 13 43.334 0.200 . 1 . . . A 1 GLY CA . 19732 1 4 . 1 1 2 2 PRO HA H 1 4.410 0.025 . 1 . . . A 2 PRO HA . 19732 1 5 . 1 1 2 2 PRO HB2 H 1 2.224 0.025 . 2 . . . A 2 PRO HB2 . 19732 1 6 . 1 1 2 2 PRO HB3 H 1 2.224 0.025 . 2 . . . A 2 PRO HB3 . 19732 1 7 . 1 1 2 2 PRO HG2 H 1 2.029 0.025 . 2 . . . A 2 PRO HG2 . 19732 1 8 . 1 1 2 2 PRO HG3 H 1 2.029 0.025 . 2 . . . A 2 PRO HG3 . 19732 1 9 . 1 1 2 2 PRO HD2 H 1 3.643 0.025 . 2 . . . A 2 PRO HD2 . 19732 1 10 . 1 1 2 2 PRO HD3 H 1 3.434 0.025 . 2 . . . A 2 PRO HD3 . 19732 1 11 . 1 1 2 2 PRO C C 13 176.929 0.200 . 1 . . . A 2 PRO C . 19732 1 12 . 1 1 2 2 PRO CA C 13 63.141 0.200 . 1 . . . A 2 PRO CA . 19732 1 13 . 1 1 2 2 PRO CB C 13 32.234 0.200 . 1 . . . A 2 PRO CB . 19732 1 14 . 1 1 2 2 PRO CG C 13 27.013 0.200 . 1 . . . A 2 PRO CG . 19732 1 15 . 1 1 2 2 PRO CD C 13 49.584 0.200 . 1 . . . A 2 PRO CD . 19732 1 16 . 1 1 3 3 LEU H H 1 8.420 0.025 . 1 . . . A 3 LEU H . 19732 1 17 . 1 1 3 3 LEU HA H 1 4.277 0.025 . 1 . . . A 3 LEU HA . 19732 1 18 . 1 1 3 3 LEU HB2 H 1 1.548 0.025 . 2 . . . A 3 LEU HB2 . 19732 1 19 . 1 1 3 3 LEU HB3 H 1 1.548 0.025 . 2 . . . A 3 LEU HB3 . 19732 1 20 . 1 1 3 3 LEU HG H 1 1.568 0.025 . 1 . . . A 3 LEU HG . 19732 1 21 . 1 1 3 3 LEU HD11 H 1 0.851 0.025 . 2 . . . A 3 LEU MD1 . 19732 1 22 . 1 1 3 3 LEU HD12 H 1 0.851 0.025 . 2 . . . A 3 LEU MD1 . 19732 1 23 . 1 1 3 3 LEU HD13 H 1 0.851 0.025 . 2 . . . A 3 LEU MD1 . 19732 1 24 . 1 1 3 3 LEU HD21 H 1 0.810 0.025 . 2 . . . A 3 LEU MD2 . 19732 1 25 . 1 1 3 3 LEU HD22 H 1 0.810 0.025 . 2 . . . A 3 LEU MD2 . 19732 1 26 . 1 1 3 3 LEU HD23 H 1 0.810 0.025 . 2 . . . A 3 LEU MD2 . 19732 1 27 . 1 1 3 3 LEU C C 13 177.789 0.200 . 1 . . . A 3 LEU C . 19732 1 28 . 1 1 3 3 LEU CA C 13 55.367 0.200 . 1 . . . A 3 LEU CA . 19732 1 29 . 1 1 3 3 LEU CB C 13 42.157 0.200 . 1 . . . A 3 LEU CB . 19732 1 30 . 1 1 3 3 LEU CG C 13 26.965 0.200 . 1 . . . A 3 LEU CG . 19732 1 31 . 1 1 3 3 LEU CD1 C 13 24.877 0.200 . 2 . . . A 3 LEU CD1 . 19732 1 32 . 1 1 3 3 LEU CD2 C 13 23.578 0.200 . 2 . . . A 3 LEU CD2 . 19732 1 33 . 1 1 3 3 LEU N N 15 121.746 0.200 . 1 . . . A 3 LEU N . 19732 1 34 . 1 1 4 4 GLY H H 1 8.326 0.025 . 1 . . . A 4 GLY H . 19732 1 35 . 1 1 4 4 GLY HA2 H 1 3.911 0.025 . 2 . . . A 4 GLY HA2 . 19732 1 36 . 1 1 4 4 GLY HA3 H 1 3.911 0.025 . 2 . . . A 4 GLY HA3 . 19732 1 37 . 1 1 4 4 GLY C C 13 174.208 0.200 . 1 . . . A 4 GLY C . 19732 1 38 . 1 1 4 4 GLY CA C 13 45.255 0.200 . 1 . . . A 4 GLY CA . 19732 1 39 . 1 1 4 4 GLY N N 15 109.400 0.200 . 1 . . . A 4 GLY N . 19732 1 40 . 1 1 5 5 SER H H 1 8.098 0.025 . 1 . . . A 5 SER H . 19732 1 41 . 1 1 5 5 SER HA H 1 4.363 0.025 . 1 . . . A 5 SER HA . 19732 1 42 . 1 1 5 5 SER HB2 H 1 3.804 0.025 . 2 . . . A 5 SER HB2 . 19732 1 43 . 1 1 5 5 SER HB3 H 1 3.804 0.025 . 2 . . . A 5 SER HB3 . 19732 1 44 . 1 1 5 5 SER C C 13 174.549 0.200 . 1 . . . A 5 SER C . 19732 1 45 . 1 1 5 5 SER CA C 13 58.443 0.200 . 1 . . . A 5 SER CA . 19732 1 46 . 1 1 5 5 SER CB C 13 63.773 0.200 . 1 . . . A 5 SER CB . 19732 1 47 . 1 1 5 5 SER N N 15 115.339 0.200 . 1 . . . A 5 SER N . 19732 1 48 . 1 1 6 6 MET H H 1 8.326 0.025 . 1 . . . A 6 MET H . 19732 1 49 . 1 1 6 6 MET HA H 1 4.427 0.025 . 1 . . . A 6 MET HA . 19732 1 50 . 1 1 6 6 MET HB2 H 1 2.031 0.025 . 2 . . . A 6 MET HB2 . 19732 1 51 . 1 1 6 6 MET HB3 H 1 1.930 0.025 . 2 . . . A 6 MET HB3 . 19732 1 52 . 1 1 6 6 MET HG2 H 1 2.522 0.025 . 2 . . . A 6 MET HG2 . 19732 1 53 . 1 1 6 6 MET HG3 H 1 2.448 0.025 . 2 . . . A 6 MET HG3 . 19732 1 54 . 1 1 6 6 MET C C 13 175.724 0.200 . 1 . . . A 6 MET C . 19732 1 55 . 1 1 6 6 MET CA C 13 55.612 0.200 . 1 . . . A 6 MET CA . 19732 1 56 . 1 1 6 6 MET CB C 13 32.874 0.200 . 1 . . . A 6 MET CB . 19732 1 57 . 1 1 6 6 MET CG C 13 32.079 0.200 . 1 . . . A 6 MET CG . 19732 1 58 . 1 1 6 6 MET N N 15 121.404 0.200 . 1 . . . A 6 MET N . 19732 1 59 . 1 1 7 7 ASP H H 1 8.114 0.025 . 1 . . . A 7 ASP H . 19732 1 60 . 1 1 7 7 ASP HA H 1 4.517 0.025 . 1 . . . A 7 ASP HA . 19732 1 61 . 1 1 7 7 ASP HB2 H 1 2.649 0.025 . 2 . . . A 7 ASP HB2 . 19732 1 62 . 1 1 7 7 ASP HB3 H 1 2.649 0.025 . 2 . . . A 7 ASP HB3 . 19732 1 63 . 1 1 7 7 ASP C C 13 176.111 0.200 . 1 . . . A 7 ASP C . 19732 1 64 . 1 1 7 7 ASP CA C 13 54.136 0.200 . 1 . . . A 7 ASP CA . 19732 1 65 . 1 1 7 7 ASP CB C 13 41.285 0.200 . 1 . . . A 7 ASP CB . 19732 1 66 . 1 1 7 7 ASP N N 15 120.769 0.200 . 1 . . . A 7 ASP N . 19732 1 67 . 1 1 8 8 ALA H H 1 8.248 0.025 . 1 . . . A 8 ALA H . 19732 1 68 . 1 1 8 8 ALA HA H 1 4.059 0.025 . 1 . . . A 8 ALA HA . 19732 1 69 . 1 1 8 8 ALA HB1 H 1 1.354 0.025 . 1 . . . A 8 ALA MB . 19732 1 70 . 1 1 8 8 ALA HB2 H 1 1.354 0.025 . 1 . . . A 8 ALA MB . 19732 1 71 . 1 1 8 8 ALA HB3 H 1 1.354 0.025 . 1 . . . A 8 ALA MB . 19732 1 72 . 1 1 8 8 ALA C C 13 178.788 0.200 . 1 . . . A 8 ALA C . 19732 1 73 . 1 1 8 8 ALA CA C 13 53.931 0.200 . 1 . . . A 8 ALA CA . 19732 1 74 . 1 1 8 8 ALA CB C 13 18.927 0.200 . 1 . . . A 8 ALA CB . 19732 1 75 . 1 1 8 8 ALA N N 15 123.543 0.200 . 1 . . . A 8 ALA N . 19732 1 76 . 1 1 9 9 GLU H H 1 8.255 0.025 . 1 . . . A 9 GLU H . 19732 1 77 . 1 1 9 9 GLU HA H 1 4.126 0.025 . 1 . . . A 9 GLU HA . 19732 1 78 . 1 1 9 9 GLU HB2 H 1 1.978 0.025 . 2 . . . A 9 GLU HB2 . 19732 1 79 . 1 1 9 9 GLU HB3 H 1 1.978 0.025 . 2 . . . A 9 GLU HB3 . 19732 1 80 . 1 1 9 9 GLU HG2 H 1 2.208 0.025 . 2 . . . A 9 GLU HG2 . 19732 1 81 . 1 1 9 9 GLU HG3 H 1 2.208 0.025 . 2 . . . A 9 GLU HG3 . 19732 1 82 . 1 1 9 9 GLU C C 13 177.485 0.200 . 1 . . . A 9 GLU C . 19732 1 83 . 1 1 9 9 GLU CA C 13 57.840 0.200 . 1 . . . A 9 GLU CA . 19732 1 84 . 1 1 9 9 GLU CB C 13 29.602 0.200 . 1 . . . A 9 GLU CB . 19732 1 85 . 1 1 9 9 GLU CG C 13 36.158 0.200 . 1 . . . A 9 GLU CG . 19732 1 86 . 1 1 9 9 GLU N N 15 118.034 0.200 . 1 . . . A 9 GLU N . 19732 1 87 . 1 1 10 10 SER H H 1 7.992 0.025 . 1 . . . A 10 SER H . 19732 1 88 . 1 1 10 10 SER HA H 1 4.232 0.025 . 1 . . . A 10 SER HA . 19732 1 89 . 1 1 10 10 SER HB2 H 1 3.825 0.025 . 2 . . . A 10 SER HB2 . 19732 1 90 . 1 1 10 10 SER HB3 H 1 3.825 0.025 . 2 . . . A 10 SER HB3 . 19732 1 91 . 1 1 10 10 SER C C 13 175.552 0.200 . 1 . . . A 10 SER C . 19732 1 92 . 1 1 10 10 SER CA C 13 60.015 0.200 . 1 . . . A 10 SER CA . 19732 1 93 . 1 1 10 10 SER CB C 13 63.225 0.200 . 1 . . . A 10 SER CB . 19732 1 94 . 1 1 10 10 SER N N 15 115.260 0.200 . 1 . . . A 10 SER N . 19732 1 95 . 1 1 11 11 ILE H H 1 7.729 0.025 . 1 . . . A 11 ILE H . 19732 1 96 . 1 1 11 11 ILE HA H 1 3.890 0.025 . 1 . . . A 11 ILE HA . 19732 1 97 . 1 1 11 11 ILE HB H 1 1.739 0.025 . 1 . . . A 11 ILE HB . 19732 1 98 . 1 1 11 11 ILE HG12 H 1 1.376 0.025 . 2 . . . A 11 ILE HG12 . 19732 1 99 . 1 1 11 11 ILE HG13 H 1 1.012 0.025 . 2 . . . A 11 ILE HG13 . 19732 1 100 . 1 1 11 11 ILE HG21 H 1 0.737 0.025 . 1 . . . A 11 ILE MG . 19732 1 101 . 1 1 11 11 ILE HG22 H 1 0.737 0.025 . 1 . . . A 11 ILE MG . 19732 1 102 . 1 1 11 11 ILE HG23 H 1 0.737 0.025 . 1 . . . A 11 ILE MG . 19732 1 103 . 1 1 11 11 ILE HD11 H 1 0.645 0.025 . 1 . . . A 11 ILE MD . 19732 1 104 . 1 1 11 11 ILE HD12 H 1 0.645 0.025 . 1 . . . A 11 ILE MD . 19732 1 105 . 1 1 11 11 ILE HD13 H 1 0.645 0.025 . 1 . . . A 11 ILE MD . 19732 1 106 . 1 1 11 11 ILE C C 13 176.411 0.200 . 1 . . . A 11 ILE C . 19732 1 107 . 1 1 11 11 ILE CA C 13 62.750 0.200 . 1 . . . A 11 ILE CA . 19732 1 108 . 1 1 11 11 ILE CB C 13 38.273 0.200 . 1 . . . A 11 ILE CB . 19732 1 109 . 1 1 11 11 ILE CG1 C 13 27.869 0.200 . 1 . . . A 11 ILE CG1 . 19732 1 110 . 1 1 11 11 ILE CG2 C 13 17.426 0.200 . 1 . . . A 11 ILE CG2 . 19732 1 111 . 1 1 11 11 ILE CD1 C 13 13.118 0.200 . 1 . . . A 11 ILE CD1 . 19732 1 112 . 1 1 11 11 ILE N N 15 121.199 0.200 . 1 . . . A 11 ILE N . 19732 1 113 . 1 1 12 12 ARG H H 1 7.853 0.025 . 1 . . . A 12 ARG H . 19732 1 114 . 1 1 12 12 ARG HA H 1 4.113 0.025 . 1 . . . A 12 ARG HA . 19732 1 115 . 1 1 12 12 ARG HB2 H 1 1.770 0.025 . 2 . . . A 12 ARG HB2 . 19732 1 116 . 1 1 12 12 ARG HB3 H 1 1.685 0.025 . 2 . . . A 12 ARG HB3 . 19732 1 117 . 1 1 12 12 ARG HG2 H 1 1.535 0.025 . 2 . . . A 12 ARG HG2 . 19732 1 118 . 1 1 12 12 ARG HG3 H 1 1.535 0.025 . 2 . . . A 12 ARG HG3 . 19732 1 119 . 1 1 12 12 ARG HD2 H 1 3.065 0.025 . 2 . . . A 12 ARG HD2 . 19732 1 120 . 1 1 12 12 ARG HD3 H 1 3.065 0.025 . 2 . . . A 12 ARG HD3 . 19732 1 121 . 1 1 12 12 ARG C C 13 176.970 0.200 . 1 . . . A 12 ARG C . 19732 1 122 . 1 1 12 12 ARG CA C 13 57.077 0.200 . 1 . . . A 12 ARG CA . 19732 1 123 . 1 1 12 12 ARG CB C 13 30.496 0.200 . 1 . . . A 12 ARG CB . 19732 1 124 . 1 1 12 12 ARG CG C 13 27.069 0.200 . 1 . . . A 12 ARG CG . 19732 1 125 . 1 1 12 12 ARG CD C 13 43.334 0.200 . 1 . . . A 12 ARG CD . 19732 1 126 . 1 1 12 12 ARG N N 15 121.248 0.200 . 1 . . . A 12 ARG N . 19732 1 127 . 1 1 13 13 LEU H H 1 8.020 0.025 . 1 . . . A 13 LEU H . 19732 1 128 . 1 1 13 13 LEU HA H 1 4.218 0.025 . 1 . . . A 13 LEU HA . 19732 1 129 . 1 1 13 13 LEU HB2 H 1 1.548 0.025 . 2 . . . A 13 LEU HB2 . 19732 1 130 . 1 1 13 13 LEU HB3 H 1 1.548 0.025 . 2 . . . A 13 LEU HB3 . 19732 1 131 . 1 1 13 13 LEU HG H 1 1.548 0.025 . 1 . . . A 13 LEU HG . 19732 1 132 . 1 1 13 13 LEU HD11 H 1 0.818 0.025 . 2 . . . A 13 LEU MD1 . 19732 1 133 . 1 1 13 13 LEU HD12 H 1 0.818 0.025 . 2 . . . A 13 LEU MD1 . 19732 1 134 . 1 1 13 13 LEU HD13 H 1 0.818 0.025 . 2 . . . A 13 LEU MD1 . 19732 1 135 . 1 1 13 13 LEU HD21 H 1 0.752 0.025 . 2 . . . A 13 LEU MD2 . 19732 1 136 . 1 1 13 13 LEU HD22 H 1 0.752 0.025 . 2 . . . A 13 LEU MD2 . 19732 1 137 . 1 1 13 13 LEU HD23 H 1 0.752 0.025 . 2 . . . A 13 LEU MD2 . 19732 1 138 . 1 1 13 13 LEU C C 13 177.620 0.200 . 1 . . . A 13 LEU C . 19732 1 139 . 1 1 13 13 LEU CA C 13 55.297 0.200 . 1 . . . A 13 LEU CA . 19732 1 140 . 1 1 13 13 LEU CB C 13 42.174 0.200 . 1 . . . A 13 LEU CB . 19732 1 141 . 1 1 13 13 LEU CG C 13 26.862 0.200 . 1 . . . A 13 LEU CG . 19732 1 142 . 1 1 13 13 LEU CD1 C 13 25.197 0.200 . 2 . . . A 13 LEU CD1 . 19732 1 143 . 1 1 13 13 LEU CD2 C 13 23.628 0.200 . 2 . . . A 13 LEU CD2 . 19732 1 144 . 1 1 13 13 LEU N N 15 120.701 0.200 . 1 . . . A 13 LEU N . 19732 1 145 . 1 1 16 16 GLU H H 1 8.465 0.025 . 1 . . . A 16 GLU H . 19732 1 146 . 1 1 16 16 GLU HA H 1 4.125 0.025 . 1 . . . A 16 GLU HA . 19732 1 147 . 1 1 16 16 GLU HB2 H 1 2.060 0.025 . 2 . . . A 16 GLU HB2 . 19732 1 148 . 1 1 16 16 GLU HB3 H 1 2.060 0.025 . 2 . . . A 16 GLU HB3 . 19732 1 149 . 1 1 16 16 GLU HG2 H 1 2.320 0.025 . 2 . . . A 16 GLU HG2 . 19732 1 150 . 1 1 16 16 GLU HG3 H 1 2.320 0.025 . 2 . . . A 16 GLU HG3 . 19732 1 151 . 1 1 16 16 GLU C C 13 178.929 0.200 . 1 . . . A 16 GLU C . 19732 1 152 . 1 1 16 16 GLU CA C 13 59.605 0.200 . 1 . . . A 16 GLU CA . 19732 1 153 . 1 1 16 16 GLU CB C 13 29.391 0.200 . 1 . . . A 16 GLU CB . 19732 1 154 . 1 1 16 16 GLU CG C 13 36.460 0.200 . 1 . . . A 16 GLU CG . 19732 1 155 . 1 1 16 16 GLU N N 15 120.417 0.200 . 1 . . . A 16 GLU N . 19732 1 156 . 1 1 17 17 ASN H H 1 8.428 0.025 . 1 . . . A 17 ASN H . 19732 1 157 . 1 1 17 17 ASN HA H 1 4.619 0.025 . 1 . . . A 17 ASN HA . 19732 1 158 . 1 1 17 17 ASN HB2 H 1 2.924 0.025 . 2 . . . A 17 ASN HB2 . 19732 1 159 . 1 1 17 17 ASN HB3 H 1 2.803 0.025 . 2 . . . A 17 ASN HB3 . 19732 1 160 . 1 1 17 17 ASN HD21 H 1 7.651 0.025 . 2 . . . A 17 ASN HD21 . 19732 1 161 . 1 1 17 17 ASN HD22 H 1 6.960 0.025 . 2 . . . A 17 ASN HD22 . 19732 1 162 . 1 1 17 17 ASN C C 13 177.835 0.200 . 1 . . . A 17 ASN C . 19732 1 163 . 1 1 17 17 ASN CA C 13 55.538 0.200 . 1 . . . A 17 ASN CA . 19732 1 164 . 1 1 17 17 ASN CB C 13 38.211 0.200 . 1 . . . A 17 ASN CB . 19732 1 165 . 1 1 17 17 ASN N N 15 118.855 0.200 . 1 . . . A 17 ASN N . 19732 1 166 . 1 1 17 17 ASN ND2 N 15 112.140 0.200 . 1 . . . A 17 ASN ND2 . 19732 1 167 . 1 1 18 18 LEU H H 1 8.208 0.025 . 1 . . . A 18 LEU H . 19732 1 168 . 1 1 18 18 LEU HA H 1 4.220 0.025 . 1 . . . A 18 LEU HA . 19732 1 169 . 1 1 18 18 LEU HB2 H 1 1.645 0.025 . 2 . . . A 18 LEU HB2 . 19732 1 170 . 1 1 18 18 LEU HB3 H 1 1.645 0.025 . 2 . . . A 18 LEU HB3 . 19732 1 171 . 1 1 18 18 LEU HG H 1 1.554 0.025 . 1 . . . A 18 LEU HG . 19732 1 172 . 1 1 18 18 LEU HD11 H 1 0.614 0.025 . 2 . . . A 18 LEU MD1 . 19732 1 173 . 1 1 18 18 LEU HD12 H 1 0.614 0.025 . 2 . . . A 18 LEU MD1 . 19732 1 174 . 1 1 18 18 LEU HD13 H 1 0.614 0.025 . 2 . . . A 18 LEU MD1 . 19732 1 175 . 1 1 18 18 LEU HD21 H 1 0.698 0.025 . 2 . . . A 18 LEU MD2 . 19732 1 176 . 1 1 18 18 LEU HD22 H 1 0.698 0.025 . 2 . . . A 18 LEU MD2 . 19732 1 177 . 1 1 18 18 LEU HD23 H 1 0.698 0.025 . 2 . . . A 18 LEU MD2 . 19732 1 178 . 1 1 18 18 LEU C C 13 178.248 0.200 . 1 . . . A 18 LEU C . 19732 1 179 . 1 1 18 18 LEU CA C 13 57.885 0.200 . 1 . . . A 18 LEU CA . 19732 1 180 . 1 1 18 18 LEU CB C 13 41.697 0.200 . 1 . . . A 18 LEU CB . 19732 1 181 . 1 1 18 18 LEU CG C 13 26.769 0.200 . 1 . . . A 18 LEU CG . 19732 1 182 . 1 1 18 18 LEU CD1 C 13 25.289 0.200 . 2 . . . A 18 LEU CD1 . 19732 1 183 . 1 1 18 18 LEU CD2 C 13 24.467 0.200 . 2 . . . A 18 LEU CD2 . 19732 1 184 . 1 1 18 18 LEU N N 15 123.972 0.200 . 1 . . . A 18 LEU N . 19732 1 185 . 1 1 19 19 TRP H H 1 8.316 0.025 . 1 . . . A 19 TRP H . 19732 1 186 . 1 1 19 19 TRP HA H 1 4.166 0.025 . 1 . . . A 19 TRP HA . 19732 1 187 . 1 1 19 19 TRP HB2 H 1 3.261 0.025 . 2 . . . A 19 TRP HB2 . 19732 1 188 . 1 1 19 19 TRP HB3 H 1 3.261 0.025 . 2 . . . A 19 TRP HB3 . 19732 1 189 . 1 1 19 19 TRP HD1 H 1 7.108 0.025 . 1 . . . A 19 TRP HD1 . 19732 1 190 . 1 1 19 19 TRP HE1 H 1 9.936 0.025 . 1 . . . A 19 TRP HE1 . 19732 1 191 . 1 1 19 19 TRP HE3 H 1 7.278 0.025 . 1 . . . A 19 TRP HE3 . 19732 1 192 . 1 1 19 19 TRP HZ2 H 1 6.438 0.025 . 1 . . . A 19 TRP HZ2 . 19732 1 193 . 1 1 19 19 TRP HZ3 H 1 6.418 0.025 . 1 . . . A 19 TRP HZ3 . 19732 1 194 . 1 1 19 19 TRP HH2 H 1 6.564 0.025 . 1 . . . A 19 TRP HH2 . 19732 1 195 . 1 1 19 19 TRP C C 13 177.617 0.200 . 1 . . . A 19 TRP C . 19732 1 196 . 1 1 19 19 TRP CA C 13 60.896 0.200 . 1 . . . A 19 TRP CA . 19732 1 197 . 1 1 19 19 TRP CB C 13 29.427 0.200 . 1 . . . A 19 TRP CB . 19732 1 198 . 1 1 19 19 TRP CD1 C 13 127.192 0.200 . 1 . . . A 19 TRP CD1 . 19732 1 199 . 1 1 19 19 TRP CE3 C 13 119.394 0.200 . 1 . . . A 19 TRP CE3 . 19732 1 200 . 1 1 19 19 TRP CZ2 C 13 114.244 0.200 . 1 . . . A 19 TRP CZ2 . 19732 1 201 . 1 1 19 19 TRP CZ3 C 13 124.029 0.200 . 1 . . . A 19 TRP CZ3 . 19732 1 202 . 1 1 19 19 TRP CH2 C 13 120.861 0.200 . 1 . . . A 19 TRP CH2 . 19732 1 203 . 1 1 19 19 TRP N N 15 119.362 0.200 . 1 . . . A 19 TRP N . 19732 1 204 . 1 1 19 19 TRP NE1 N 15 128.856 0.200 . 1 . . . A 19 TRP NE1 . 19732 1 205 . 1 1 20 20 ALA H H 1 7.957 0.025 . 1 . . . A 20 ALA H . 19732 1 206 . 1 1 20 20 ALA HA H 1 4.050 0.025 . 1 . . . A 20 ALA HA . 19732 1 207 . 1 1 20 20 ALA HB1 H 1 1.583 0.025 . 1 . . . A 20 ALA MB . 19732 1 208 . 1 1 20 20 ALA HB2 H 1 1.583 0.025 . 1 . . . A 20 ALA MB . 19732 1 209 . 1 1 20 20 ALA HB3 H 1 1.583 0.025 . 1 . . . A 20 ALA MB . 19732 1 210 . 1 1 20 20 ALA C C 13 180.422 0.200 . 1 . . . A 20 ALA C . 19732 1 211 . 1 1 20 20 ALA CA C 13 55.164 0.200 . 1 . . . A 20 ALA CA . 19732 1 212 . 1 1 20 20 ALA CB C 13 18.040 0.200 . 1 . . . A 20 ALA CB . 19732 1 213 . 1 1 20 20 ALA N N 15 118.581 0.200 . 1 . . . A 20 ALA N . 19732 1 214 . 1 1 21 21 TRP H H 1 8.043 0.025 . 1 . . . A 21 TRP H . 19732 1 215 . 1 1 21 21 TRP HA H 1 3.893 0.025 . 1 . . . A 21 TRP HA . 19732 1 216 . 1 1 21 21 TRP HB2 H 1 3.262 0.025 . 2 . . . A 21 TRP HB2 . 19732 1 217 . 1 1 21 21 TRP HB3 H 1 3.262 0.025 . 2 . . . A 21 TRP HB3 . 19732 1 218 . 1 1 21 21 TRP HD1 H 1 7.199 0.025 . 1 . . . A 21 TRP HD1 . 19732 1 219 . 1 1 21 21 TRP HE1 H 1 9.928 0.025 . 1 . . . A 21 TRP HE1 . 19732 1 220 . 1 1 21 21 TRP HZ2 H 1 7.375 0.025 . 1 . . . A 21 TRP HZ2 . 19732 1 221 . 1 1 21 21 TRP HH2 H 1 6.869 0.025 . 1 . . . A 21 TRP HH2 . 19732 1 222 . 1 1 21 21 TRP C C 13 177.494 0.200 . 1 . . . A 21 TRP C . 19732 1 223 . 1 1 21 21 TRP CA C 13 62.098 0.200 . 1 . . . A 21 TRP CA . 19732 1 224 . 1 1 21 21 TRP CB C 13 28.643 0.200 . 1 . . . A 21 TRP CB . 19732 1 225 . 1 1 21 21 TRP CD1 C 13 127.238 0.200 . 1 . . . A 21 TRP CD1 . 19732 1 226 . 1 1 21 21 TRP CE3 C 13 119.389 0.200 . 1 . . . A 21 TRP CE3 . 19732 1 227 . 1 1 21 21 TRP CZ2 C 13 113.897 0.200 . 1 . . . A 21 TRP CZ2 . 19732 1 228 . 1 1 21 21 TRP CH2 C 13 123.958 0.200 . 1 . . . A 21 TRP CH2 . 19732 1 229 . 1 1 21 21 TRP N N 15 119.753 0.200 . 1 . . . A 21 TRP N . 19732 1 230 . 1 1 21 21 TRP NE1 N 15 129.247 0.200 . 1 . . . A 21 TRP NE1 . 19732 1 231 . 1 1 22 22 LEU H H 1 8.553 0.025 . 1 . . . A 22 LEU H . 19732 1 232 . 1 1 22 22 LEU HA H 1 3.439 0.025 . 1 . . . A 22 LEU HA . 19732 1 233 . 1 1 22 22 LEU HB2 H 1 1.531 0.025 . 2 . . . A 22 LEU HB2 . 19732 1 234 . 1 1 22 22 LEU HB3 H 1 1.531 0.025 . 2 . . . A 22 LEU HB3 . 19732 1 235 . 1 1 22 22 LEU HG H 1 1.548 0.025 . 1 . . . A 22 LEU HG . 19732 1 236 . 1 1 22 22 LEU HD11 H 1 0.835 0.025 . 2 . . . A 22 LEU MD1 . 19732 1 237 . 1 1 22 22 LEU HD12 H 1 0.835 0.025 . 2 . . . A 22 LEU MD1 . 19732 1 238 . 1 1 22 22 LEU HD13 H 1 0.835 0.025 . 2 . . . A 22 LEU MD1 . 19732 1 239 . 1 1 22 22 LEU C C 13 178.075 0.200 . 1 . . . A 22 LEU C . 19732 1 240 . 1 1 22 22 LEU CA C 13 57.755 0.200 . 1 . . . A 22 LEU CA . 19732 1 241 . 1 1 22 22 LEU CB C 13 41.970 0.200 . 1 . . . A 22 LEU CB . 19732 1 242 . 1 1 22 22 LEU CG C 13 26.054 0.200 . 1 . . . A 22 LEU CG . 19732 1 243 . 1 1 22 22 LEU CD1 C 13 23.966 0.200 . 2 . . . A 22 LEU CD1 . 19732 1 244 . 1 1 22 22 LEU N N 15 122.136 0.200 . 1 . . . A 22 LEU N . 19732 1 245 . 1 1 23 23 VAL H H 1 8.341 0.025 . 1 . . . A 23 VAL H . 19732 1 246 . 1 1 23 23 VAL HA H 1 3.313 0.025 . 1 . . . A 23 VAL HA . 19732 1 247 . 1 1 23 23 VAL HB H 1 2.020 0.025 . 1 . . . A 23 VAL HB . 19732 1 248 . 1 1 23 23 VAL HG11 H 1 0.847 0.025 . 2 . . . A 23 VAL MG1 . 19732 1 249 . 1 1 23 23 VAL HG12 H 1 0.847 0.025 . 2 . . . A 23 VAL MG1 . 19732 1 250 . 1 1 23 23 VAL HG13 H 1 0.847 0.025 . 2 . . . A 23 VAL MG1 . 19732 1 251 . 1 1 23 23 VAL HG21 H 1 0.684 0.025 . 2 . . . A 23 VAL MG2 . 19732 1 252 . 1 1 23 23 VAL HG22 H 1 0.684 0.025 . 2 . . . A 23 VAL MG2 . 19732 1 253 . 1 1 23 23 VAL HG23 H 1 0.684 0.025 . 2 . . . A 23 VAL MG2 . 19732 1 254 . 1 1 23 23 VAL C C 13 178.401 0.200 . 1 . . . A 23 VAL C . 19732 1 255 . 1 1 23 23 VAL CA C 13 67.124 0.200 . 1 . . . A 23 VAL CA . 19732 1 256 . 1 1 23 23 VAL CB C 13 31.300 0.200 . 1 . . . A 23 VAL CB . 19732 1 257 . 1 1 23 23 VAL CG1 C 13 21.254 0.200 . 2 . . . A 23 VAL CG1 . 19732 1 258 . 1 1 23 23 VAL CG2 C 13 22.745 0.200 . 2 . . . A 23 VAL CG2 . 19732 1 259 . 1 1 23 23 VAL N N 15 118.034 0.200 . 1 . . . A 23 VAL N . 19732 1 260 . 1 1 24 24 ARG H H 1 7.856 0.025 . 1 . . . A 24 ARG H . 19732 1 261 . 1 1 24 24 ARG HA H 1 3.814 0.025 . 1 . . . A 24 ARG HA . 19732 1 262 . 1 1 24 24 ARG HB2 H 1 1.870 0.025 . 2 . . . A 24 ARG HB2 . 19732 1 263 . 1 1 24 24 ARG HB3 H 1 1.870 0.025 . 2 . . . A 24 ARG HB3 . 19732 1 264 . 1 1 24 24 ARG HD2 H 1 3.149 0.025 . 2 . . . A 24 ARG HD2 . 19732 1 265 . 1 1 24 24 ARG HD3 H 1 3.149 0.025 . 2 . . . A 24 ARG HD3 . 19732 1 266 . 1 1 24 24 ARG C C 13 179.205 0.200 . 1 . . . A 24 ARG C . 19732 1 267 . 1 1 24 24 ARG CA C 13 60.104 0.200 . 1 . . . A 24 ARG CA . 19732 1 268 . 1 1 24 24 ARG CB C 13 30.036 0.200 . 1 . . . A 24 ARG CB . 19732 1 269 . 1 1 24 24 ARG CG C 13 28.072 0.200 . 1 . . . A 24 ARG CG . 19732 1 270 . 1 1 24 24 ARG CD C 13 43.569 0.200 . 1 . . . A 24 ARG CD . 19732 1 271 . 1 1 24 24 ARG N N 15 120.377 0.200 . 1 . . . A 24 ARG N . 19732 1 272 . 1 1 25 25 LEU H H 1 7.838 0.025 . 1 . . . A 25 LEU H . 19732 1 273 . 1 1 25 25 LEU HA H 1 3.663 0.025 . 1 . . . A 25 LEU HA . 19732 1 274 . 1 1 25 25 LEU HB2 H 1 1.338 0.025 . 2 . . . A 25 LEU HB2 . 19732 1 275 . 1 1 25 25 LEU HB3 H 1 1.338 0.025 . 2 . . . A 25 LEU HB3 . 19732 1 276 . 1 1 25 25 LEU HG H 1 0.334 0.025 . 1 . . . A 25 LEU HG . 19732 1 277 . 1 1 25 25 LEU HD11 H 1 0.516 0.025 . 2 . . . A 25 LEU MD1 . 19732 1 278 . 1 1 25 25 LEU HD12 H 1 0.516 0.025 . 2 . . . A 25 LEU MD1 . 19732 1 279 . 1 1 25 25 LEU HD13 H 1 0.516 0.025 . 2 . . . A 25 LEU MD1 . 19732 1 280 . 1 1 25 25 LEU C C 13 179.943 0.200 . 1 . . . A 25 LEU C . 19732 1 281 . 1 1 25 25 LEU CA C 13 58.048 0.200 . 1 . . . A 25 LEU CA . 19732 1 282 . 1 1 25 25 LEU CB C 13 41.028 0.200 . 1 . . . A 25 LEU CB . 19732 1 283 . 1 1 25 25 LEU CG C 13 26.634 0.200 . 1 . . . A 25 LEU CG . 19732 1 284 . 1 1 25 25 LEU CD1 C 13 23.056 0.200 . 2 . . . A 25 LEU CD1 . 19732 1 285 . 1 1 25 25 LEU N N 15 121.668 0.200 . 1 . . . A 25 LEU N . 19732 1 286 . 1 1 26 26 LEU H H 1 8.247 0.025 . 1 . . . A 26 LEU H . 19732 1 287 . 1 1 26 26 LEU HA H 1 3.911 0.025 . 1 . . . A 26 LEU HA . 19732 1 288 . 1 1 26 26 LEU HB2 H 1 1.871 0.025 . 2 . . . A 26 LEU HB2 . 19732 1 289 . 1 1 26 26 LEU HB3 H 1 1.871 0.025 . 2 . . . A 26 LEU HB3 . 19732 1 290 . 1 1 26 26 LEU HG H 1 1.030 0.025 . 1 . . . A 26 LEU HG . 19732 1 291 . 1 1 26 26 LEU HD11 H 1 0.969 0.025 . 2 . . . A 26 LEU MD1 . 19732 1 292 . 1 1 26 26 LEU HD12 H 1 0.969 0.025 . 2 . . . A 26 LEU MD1 . 19732 1 293 . 1 1 26 26 LEU HD13 H 1 0.969 0.025 . 2 . . . A 26 LEU MD1 . 19732 1 294 . 1 1 26 26 LEU C C 13 179.471 0.200 . 1 . . . A 26 LEU C . 19732 1 295 . 1 1 26 26 LEU CA C 13 57.473 0.200 . 1 . . . A 26 LEU CA . 19732 1 296 . 1 1 26 26 LEU CB C 13 41.029 0.200 . 1 . . . A 26 LEU CB . 19732 1 297 . 1 1 26 26 LEU CG C 13 27.611 0.200 . 1 . . . A 26 LEU CG . 19732 1 298 . 1 1 26 26 LEU CD1 C 13 23.176 0.200 . 2 . . . A 26 LEU CD1 . 19732 1 299 . 1 1 26 26 LEU N N 15 118.308 0.200 . 1 . . . A 26 LEU N . 19732 1 300 . 1 1 27 27 SER H H 1 8.436 0.025 . 1 . . . A 27 SER H . 19732 1 301 . 1 1 27 27 SER HA H 1 4.020 0.025 . 1 . . . A 27 SER HA . 19732 1 302 . 1 1 27 27 SER HB2 H 1 3.956 0.025 . 2 . . . A 27 SER HB2 . 19732 1 303 . 1 1 27 27 SER HB3 H 1 3.956 0.025 . 2 . . . A 27 SER HB3 . 19732 1 304 . 1 1 27 27 SER C C 13 174.990 0.200 . 1 . . . A 27 SER C . 19732 1 305 . 1 1 27 27 SER CA C 13 61.755 0.200 . 1 . . . A 27 SER CA . 19732 1 306 . 1 1 27 27 SER CB C 13 62.755 0.200 . 1 . . . A 27 SER CB . 19732 1 307 . 1 1 27 27 SER N N 15 115.768 0.200 . 1 . . . A 27 SER N . 19732 1 308 . 1 1 28 28 LYS H H 1 7.014 0.025 . 1 . . . A 28 LYS H . 19732 1 309 . 1 1 28 28 LYS HA H 1 4.314 0.025 . 1 . . . A 28 LYS HA . 19732 1 310 . 1 1 28 28 LYS HB2 H 1 1.813 0.025 . 2 . . . A 28 LYS HB2 . 19732 1 311 . 1 1 28 28 LYS HB3 H 1 1.813 0.025 . 2 . . . A 28 LYS HB3 . 19732 1 312 . 1 1 28 28 LYS HG2 H 1 1.527 0.025 . 2 . . . A 28 LYS HG2 . 19732 1 313 . 1 1 28 28 LYS HG3 H 1 1.440 0.025 . 2 . . . A 28 LYS HG3 . 19732 1 314 . 1 1 28 28 LYS HD2 H 1 1.576 0.025 . 2 . . . A 28 LYS HD2 . 19732 1 315 . 1 1 28 28 LYS HD3 H 1 1.576 0.025 . 2 . . . A 28 LYS HD3 . 19732 1 316 . 1 1 28 28 LYS HE2 H 1 2.859 0.025 . 2 . . . A 28 LYS HE2 . 19732 1 317 . 1 1 28 28 LYS HE3 H 1 2.859 0.025 . 2 . . . A 28 LYS HE3 . 19732 1 318 . 1 1 28 28 LYS C C 13 175.979 0.200 . 1 . . . A 28 LYS C . 19732 1 319 . 1 1 28 28 LYS CA C 13 56.187 0.200 . 1 . . . A 28 LYS CA . 19732 1 320 . 1 1 28 28 LYS CB C 13 32.791 0.200 . 1 . . . A 28 LYS CB . 19732 1 321 . 1 1 28 28 LYS CG C 13 24.943 0.200 . 1 . . . A 28 LYS CG . 19732 1 322 . 1 1 28 28 LYS CD C 13 28.979 0.200 . 1 . . . A 28 LYS CD . 19732 1 323 . 1 1 28 28 LYS CE C 13 42.033 0.200 . 1 . . . A 28 LYS CE . 19732 1 324 . 1 1 28 28 LYS N N 15 117.644 0.200 . 1 . . . A 28 LYS N . 19732 1 325 . 1 1 29 29 ASN H H 1 7.611 0.025 . 1 . . . A 29 ASN H . 19732 1 326 . 1 1 29 29 ASN HA H 1 5.282 0.025 . 1 . . . A 29 ASN HA . 19732 1 327 . 1 1 29 29 ASN HB2 H 1 2.877 0.025 . 2 . . . A 29 ASN HB2 . 19732 1 328 . 1 1 29 29 ASN HB3 H 1 2.262 0.025 . 2 . . . A 29 ASN HB3 . 19732 1 329 . 1 1 29 29 ASN HD21 H 1 7.243 0.025 . 2 . . . A 29 ASN HD21 . 19732 1 330 . 1 1 29 29 ASN C C 13 171.835 0.200 . 1 . . . A 29 ASN C . 19732 1 331 . 1 1 29 29 ASN CA C 13 52.325 0.200 . 1 . . . A 29 ASN CA . 19732 1 332 . 1 1 29 29 ASN CB C 13 41.626 0.200 . 1 . . . A 29 ASN CB . 19732 1 333 . 1 1 29 29 ASN N N 15 118.347 0.200 . 1 . . . A 29 ASN N . 19732 1 334 . 1 1 29 29 ASN ND2 N 15 114.948 0.200 . 1 . . . A 29 ASN ND2 . 19732 1 335 . 1 1 30 30 PRO HA H 1 4.451 0.025 . 1 . . . A 30 PRO HA . 19732 1 336 . 1 1 30 30 PRO HB2 H 1 2.091 0.025 . 2 . . . A 30 PRO HB2 . 19732 1 337 . 1 1 30 30 PRO HB3 H 1 1.937 0.025 . 2 . . . A 30 PRO HB3 . 19732 1 338 . 1 1 30 30 PRO HG2 H 1 2.031 0.025 . 2 . . . A 30 PRO HG2 . 19732 1 339 . 1 1 30 30 PRO HG3 H 1 2.031 0.025 . 2 . . . A 30 PRO HG3 . 19732 1 340 . 1 1 30 30 PRO HD2 H 1 3.649 0.025 . 2 . . . A 30 PRO HD2 . 19732 1 341 . 1 1 30 30 PRO HD3 H 1 3.564 0.025 . 2 . . . A 30 PRO HD3 . 19732 1 342 . 1 1 30 30 PRO C C 13 179.560 0.200 . 1 . . . A 30 PRO C . 19732 1 343 . 1 1 30 30 PRO CA C 13 65.869 0.200 . 1 . . . A 30 PRO CA . 19732 1 344 . 1 1 30 30 PRO CB C 13 31.402 0.200 . 1 . . . A 30 PRO CB . 19732 1 345 . 1 1 30 30 PRO CG C 13 27.694 0.200 . 1 . . . A 30 PRO CG . 19732 1 346 . 1 1 30 30 PRO CD C 13 50.274 0.200 . 1 . . . A 30 PRO CD . 19732 1 347 . 1 1 31 31 GLU H H 1 8.593 0.025 . 1 . . . A 31 GLU H . 19732 1 348 . 1 1 31 31 GLU HA H 1 4.126 0.025 . 1 . . . A 31 GLU HA . 19732 1 349 . 1 1 31 31 GLU HB2 H 1 2.086 0.025 . 2 . . . A 31 GLU HB2 . 19732 1 350 . 1 1 31 31 GLU HB3 H 1 2.031 0.025 . 2 . . . A 31 GLU HB3 . 19732 1 351 . 1 1 31 31 GLU HG2 H 1 2.321 0.025 . 2 . . . A 31 GLU HG2 . 19732 1 352 . 1 1 31 31 GLU HG3 H 1 2.321 0.025 . 2 . . . A 31 GLU HG3 . 19732 1 353 . 1 1 31 31 GLU C C 13 179.253 0.200 . 1 . . . A 31 GLU C . 19732 1 354 . 1 1 31 31 GLU CA C 13 59.672 0.200 . 1 . . . A 31 GLU CA . 19732 1 355 . 1 1 31 31 GLU CB C 13 28.365 0.200 . 1 . . . A 31 GLU CB . 19732 1 356 . 1 1 31 31 GLU CG C 13 36.567 0.200 . 1 . . . A 31 GLU CG . 19732 1 357 . 1 1 31 31 GLU N N 15 119.636 0.200 . 1 . . . A 31 GLU N . 19732 1 358 . 1 1 32 32 TRP H H 1 7.933 0.025 . 1 . . . A 32 TRP H . 19732 1 359 . 1 1 32 32 TRP HA H 1 4.033 0.025 . 1 . . . A 32 TRP HA . 19732 1 360 . 1 1 32 32 TRP HB2 H 1 3.332 0.025 . 2 . . . A 32 TRP HB2 . 19732 1 361 . 1 1 32 32 TRP HB3 H 1 3.332 0.025 . 2 . . . A 32 TRP HB3 . 19732 1 362 . 1 1 32 32 TRP HD1 H 1 7.241 0.025 . 1 . . . A 32 TRP HD1 . 19732 1 363 . 1 1 32 32 TRP HE1 H 1 10.839 0.025 . 1 . . . A 32 TRP HE1 . 19732 1 364 . 1 1 32 32 TRP HE3 H 1 7.200 0.025 . 1 . . . A 32 TRP HE3 . 19732 1 365 . 1 1 32 32 TRP HZ2 H 1 6.814 0.025 . 1 . . . A 32 TRP HZ2 . 19732 1 366 . 1 1 32 32 TRP HZ3 H 1 6.733 0.025 . 1 . . . A 32 TRP HZ3 . 19732 1 367 . 1 1 32 32 TRP HH2 H 1 6.290 0.025 . 1 . . . A 32 TRP HH2 . 19732 1 368 . 1 1 32 32 TRP C C 13 178.055 0.200 . 1 . . . A 32 TRP C . 19732 1 369 . 1 1 32 32 TRP CA C 13 61.856 0.200 . 1 . . . A 32 TRP CA . 19732 1 370 . 1 1 32 32 TRP CB C 13 29.116 0.200 . 1 . . . A 32 TRP CB . 19732 1 371 . 1 1 32 32 TRP CD1 C 13 127.715 0.200 . 1 . . . A 32 TRP CD1 . 19732 1 372 . 1 1 32 32 TRP CE3 C 13 119.915 0.200 . 1 . . . A 32 TRP CE3 . 19732 1 373 . 1 1 32 32 TRP CZ2 C 13 113.659 0.200 . 1 . . . A 32 TRP CZ2 . 19732 1 374 . 1 1 32 32 TRP CZ3 C 13 121.093 0.200 . 1 . . . A 32 TRP CZ3 . 19732 1 375 . 1 1 32 32 TRP CH2 C 13 122.795 0.200 . 1 . . . A 32 TRP CH2 . 19732 1 376 . 1 1 32 32 TRP N N 15 122.293 0.200 . 1 . . . A 32 TRP N . 19732 1 377 . 1 1 32 32 TRP NE1 N 15 131.707 0.200 . 1 . . . A 32 TRP NE1 . 19732 1 378 . 1 1 33 33 LEU H H 1 8.012 0.025 . 1 . . . A 33 LEU H . 19732 1 379 . 1 1 33 33 LEU HA H 1 3.890 0.025 . 1 . . . A 33 LEU HA . 19732 1 380 . 1 1 33 33 LEU HB2 H 1 2.171 0.025 . 2 . . . A 33 LEU HB2 . 19732 1 381 . 1 1 33 33 LEU HB3 H 1 1.672 0.025 . 2 . . . A 33 LEU HB3 . 19732 1 382 . 1 1 33 33 LEU HG H 1 1.069 0.025 . 1 . . . A 33 LEU HG . 19732 1 383 . 1 1 33 33 LEU HD11 H 1 1.101 0.025 . 2 . . . A 33 LEU MD1 . 19732 1 384 . 1 1 33 33 LEU HD12 H 1 1.101 0.025 . 2 . . . A 33 LEU MD1 . 19732 1 385 . 1 1 33 33 LEU HD13 H 1 1.101 0.025 . 2 . . . A 33 LEU MD1 . 19732 1 386 . 1 1 33 33 LEU C C 13 177.934 0.200 . 1 . . . A 33 LEU C . 19732 1 387 . 1 1 33 33 LEU CA C 13 58.178 0.200 . 1 . . . A 33 LEU CA . 19732 1 388 . 1 1 33 33 LEU CB C 13 41.558 0.200 . 1 . . . A 33 LEU CB . 19732 1 389 . 1 1 33 33 LEU CG C 13 27.133 0.200 . 1 . . . A 33 LEU CG . 19732 1 390 . 1 1 33 33 LEU CD1 C 13 23.578 0.200 . 2 . . . A 33 LEU CD1 . 19732 1 391 . 1 1 33 33 LEU N N 15 117.409 0.200 . 1 . . . A 33 LEU N . 19732 1 392 . 1 1 34 34 SER H H 1 8.335 0.025 . 1 . . . A 34 SER H . 19732 1 393 . 1 1 34 34 SER HA H 1 3.975 0.025 . 1 . . . A 34 SER HA . 19732 1 394 . 1 1 34 34 SER HB2 H 1 3.896 0.025 . 2 . . . A 34 SER HB2 . 19732 1 395 . 1 1 34 34 SER HB3 H 1 3.896 0.025 . 2 . . . A 34 SER HB3 . 19732 1 396 . 1 1 34 34 SER C C 13 176.363 0.200 . 1 . . . A 34 SER C . 19732 1 397 . 1 1 34 34 SER CA C 13 62.194 0.200 . 1 . . . A 34 SER CA . 19732 1 398 . 1 1 34 34 SER CB C 13 62.739 0.200 . 1 . . . A 34 SER CB . 19732 1 399 . 1 1 34 34 SER N N 15 113.257 0.200 . 1 . . . A 34 SER N . 19732 1 400 . 1 1 35 35 ALA H H 1 7.391 0.025 . 1 . . . A 35 ALA H . 19732 1 401 . 1 1 35 35 ALA HA H 1 3.957 0.025 . 1 . . . A 35 ALA HA . 19732 1 402 . 1 1 35 35 ALA HB1 H 1 1.311 0.025 . 1 . . . A 35 ALA MB . 19732 1 403 . 1 1 35 35 ALA HB2 H 1 1.311 0.025 . 1 . . . A 35 ALA MB . 19732 1 404 . 1 1 35 35 ALA HB3 H 1 1.311 0.025 . 1 . . . A 35 ALA MB . 19732 1 405 . 1 1 35 35 ALA C C 13 180.728 0.200 . 1 . . . A 35 ALA C . 19732 1 406 . 1 1 35 35 ALA CA C 13 54.889 0.200 . 1 . . . A 35 ALA CA . 19732 1 407 . 1 1 35 35 ALA CB C 13 17.775 0.200 . 1 . . . A 35 ALA CB . 19732 1 408 . 1 1 35 35 ALA N N 15 121.511 0.200 . 1 . . . A 35 ALA N . 19732 1 409 . 1 1 36 36 LYS H H 1 7.823 0.025 . 1 . . . A 36 LYS H . 19732 1 410 . 1 1 36 36 LYS HA H 1 3.834 0.025 . 1 . . . A 36 LYS HA . 19732 1 411 . 1 1 36 36 LYS HB2 H 1 1.418 0.025 . 2 . . . A 36 LYS HB2 . 19732 1 412 . 1 1 36 36 LYS HB3 H 1 1.418 0.025 . 2 . . . A 36 LYS HB3 . 19732 1 413 . 1 1 36 36 LYS HG2 H 1 0.587 0.025 . 2 . . . A 36 LYS HG2 . 19732 1 414 . 1 1 36 36 LYS HG3 H 1 0.237 0.025 . 2 . . . A 36 LYS HG3 . 19732 1 415 . 1 1 36 36 LYS HD2 H 1 1.377 0.025 . 2 . . . A 36 LYS HD2 . 19732 1 416 . 1 1 36 36 LYS HD3 H 1 1.377 0.025 . 2 . . . A 36 LYS HD3 . 19732 1 417 . 1 1 36 36 LYS HE2 H 1 2.604 0.025 . 2 . . . A 36 LYS HE2 . 19732 1 418 . 1 1 36 36 LYS HE3 H 1 2.393 0.025 . 2 . . . A 36 LYS HE3 . 19732 1 419 . 1 1 36 36 LYS C C 13 179.578 0.200 . 1 . . . A 36 LYS C . 19732 1 420 . 1 1 36 36 LYS CA C 13 56.597 0.200 . 1 . . . A 36 LYS CA . 19732 1 421 . 1 1 36 36 LYS CB C 13 30.483 0.200 . 1 . . . A 36 LYS CB . 19732 1 422 . 1 1 36 36 LYS CG C 13 22.279 0.200 . 1 . . . A 36 LYS CG . 19732 1 423 . 1 1 36 36 LYS CD C 13 27.166 0.200 . 1 . . . A 36 LYS CD . 19732 1 424 . 1 1 36 36 LYS CE C 13 41.832 0.200 . 1 . . . A 36 LYS CE . 19732 1 425 . 1 1 36 36 LYS N N 15 118.386 0.200 . 1 . . . A 36 LYS N . 19732 1 426 . 1 1 37 37 LEU H H 1 8.725 0.025 . 1 . . . A 37 LEU H . 19732 1 427 . 1 1 37 37 LEU HA H 1 3.890 0.025 . 1 . . . A 37 LEU HA . 19732 1 428 . 1 1 37 37 LEU HB2 H 1 1.891 0.025 . 2 . . . A 37 LEU HB2 . 19732 1 429 . 1 1 37 37 LEU HB3 H 1 1.420 0.025 . 2 . . . A 37 LEU HB3 . 19732 1 430 . 1 1 37 37 LEU HG H 1 1.842 0.025 . 1 . . . A 37 LEU HG . 19732 1 431 . 1 1 37 37 LEU HD11 H 1 0.666 0.025 . 2 . . . A 37 LEU MD1 . 19732 1 432 . 1 1 37 37 LEU HD12 H 1 0.666 0.025 . 2 . . . A 37 LEU MD1 . 19732 1 433 . 1 1 37 37 LEU HD13 H 1 0.666 0.025 . 2 . . . A 37 LEU MD1 . 19732 1 434 . 1 1 37 37 LEU HD21 H 1 0.666 0.025 . 2 . . . A 37 LEU MD2 . 19732 1 435 . 1 1 37 37 LEU HD22 H 1 0.666 0.025 . 2 . . . A 37 LEU MD2 . 19732 1 436 . 1 1 37 37 LEU HD23 H 1 0.666 0.025 . 2 . . . A 37 LEU MD2 . 19732 1 437 . 1 1 37 37 LEU C C 13 178.529 0.200 . 1 . . . A 37 LEU C . 19732 1 438 . 1 1 37 37 LEU CA C 13 58.647 0.200 . 1 . . . A 37 LEU CA . 19732 1 439 . 1 1 37 37 LEU CB C 13 41.148 0.200 . 1 . . . A 37 LEU CB . 19732 1 440 . 1 1 37 37 LEU CG C 13 26.659 0.200 . 1 . . . A 37 LEU CG . 19732 1 441 . 1 1 37 37 LEU CD1 C 13 23.032 0.200 . 2 . . . A 37 LEU CD1 . 19732 1 442 . 1 1 37 37 LEU N N 15 119.480 0.200 . 1 . . . A 37 LEU N . 19732 1 443 . 1 1 38 38 ARG H H 1 7.446 0.025 . 1 . . . A 38 ARG H . 19732 1 444 . 1 1 38 38 ARG HA H 1 3.997 0.025 . 1 . . . A 38 ARG HA . 19732 1 445 . 1 1 38 38 ARG HB2 H 1 1.783 0.025 . 2 . . . A 38 ARG HB2 . 19732 1 446 . 1 1 38 38 ARG HB3 H 1 1.783 0.025 . 2 . . . A 38 ARG HB3 . 19732 1 447 . 1 1 38 38 ARG HG2 H 1 1.762 0.025 . 2 . . . A 38 ARG HG2 . 19732 1 448 . 1 1 38 38 ARG HG3 H 1 1.549 0.025 . 2 . . . A 38 ARG HG3 . 19732 1 449 . 1 1 38 38 ARG HD2 H 1 3.140 0.025 . 2 . . . A 38 ARG HD2 . 19732 1 450 . 1 1 38 38 ARG HD3 H 1 3.140 0.025 . 2 . . . A 38 ARG HD3 . 19732 1 451 . 1 1 38 38 ARG C C 13 177.661 0.200 . 1 . . . A 38 ARG C . 19732 1 452 . 1 1 38 38 ARG CA C 13 58.512 0.200 . 1 . . . A 38 ARG CA . 19732 1 453 . 1 1 38 38 ARG CB C 13 29.935 0.200 . 1 . . . A 38 ARG CB . 19732 1 454 . 1 1 38 38 ARG CG C 13 28.022 0.200 . 1 . . . A 38 ARG CG . 19732 1 455 . 1 1 38 38 ARG CD C 13 43.334 0.200 . 1 . . . A 38 ARG CD . 19732 1 456 . 1 1 38 38 ARG N N 15 115.612 0.200 . 1 . . . A 38 ARG N . 19732 1 457 . 1 1 39 39 SER H H 1 7.353 0.025 . 1 . . . A 39 SER H . 19732 1 458 . 1 1 39 39 SER HA H 1 4.160 0.025 . 1 . . . A 39 SER HA . 19732 1 459 . 1 1 39 39 SER HB2 H 1 3.581 0.025 . 2 . . . A 39 SER HB2 . 19732 1 460 . 1 1 39 39 SER HB3 H 1 3.524 0.025 . 2 . . . A 39 SER HB3 . 19732 1 461 . 1 1 39 39 SER C C 13 175.401 0.200 . 1 . . . A 39 SER C . 19732 1 462 . 1 1 39 39 SER CA C 13 60.359 0.200 . 1 . . . A 39 SER CA . 19732 1 463 . 1 1 39 39 SER CB C 13 63.228 0.200 . 1 . . . A 39 SER CB . 19732 1 464 . 1 1 39 39 SER N N 15 111.883 0.200 . 1 . . . A 39 SER N . 19732 1 465 . 1 1 40 40 PHE H H 1 7.792 0.025 . 1 . . . A 40 PHE H . 19732 1 466 . 1 1 40 40 PHE HA H 1 4.614 0.025 . 1 . . . A 40 PHE HA . 19732 1 467 . 1 1 40 40 PHE HB2 H 1 3.052 0.025 . 2 . . . A 40 PHE HB2 . 19732 1 468 . 1 1 40 40 PHE HB3 H 1 3.052 0.025 . 2 . . . A 40 PHE HB3 . 19732 1 469 . 1 1 40 40 PHE HD1 H 1 7.298 0.025 . 3 . . . A 40 PHE HD1 . 19732 1 470 . 1 1 40 40 PHE HD2 H 1 7.298 0.025 . 3 . . . A 40 PHE HD2 . 19732 1 471 . 1 1 40 40 PHE C C 13 175.852 0.200 . 1 . . . A 40 PHE C . 19732 1 472 . 1 1 40 40 PHE CA C 13 59.710 0.200 . 1 . . . A 40 PHE CA . 19732 1 473 . 1 1 40 40 PHE CB C 13 41.694 0.200 . 1 . . . A 40 PHE CB . 19732 1 474 . 1 1 40 40 PHE CD2 C 13 131.704 0.200 . 3 . . . A 40 PHE CD2 . 19732 1 475 . 1 1 40 40 PHE N N 15 117.136 0.200 . 1 . . . A 40 PHE N . 19732 1 476 . 1 1 41 41 LEU H H 1 8.114 0.025 . 1 . . . A 41 LEU H . 19732 1 477 . 1 1 41 41 LEU HA H 1 4.877 0.025 . 1 . . . A 41 LEU HA . 19732 1 478 . 1 1 41 41 LEU HB2 H 1 1.843 0.025 . 2 . . . A 41 LEU HB2 . 19732 1 479 . 1 1 41 41 LEU HB3 H 1 1.396 0.025 . 2 . . . A 41 LEU HB3 . 19732 1 480 . 1 1 41 41 LEU HG H 1 1.564 0.025 . 1 . . . A 41 LEU HG . 19732 1 481 . 1 1 41 41 LEU HD11 H 1 0.820 0.025 . 2 . . . A 41 LEU MD1 . 19732 1 482 . 1 1 41 41 LEU HD12 H 1 0.820 0.025 . 2 . . . A 41 LEU MD1 . 19732 1 483 . 1 1 41 41 LEU HD13 H 1 0.820 0.025 . 2 . . . A 41 LEU MD1 . 19732 1 484 . 1 1 41 41 LEU C C 13 174.510 0.200 . 1 . . . A 41 LEU C . 19732 1 485 . 1 1 41 41 LEU CA C 13 52.092 0.200 . 1 . . . A 41 LEU CA . 19732 1 486 . 1 1 41 41 LEU CB C 13 42.037 0.200 . 1 . . . A 41 LEU CB . 19732 1 487 . 1 1 41 41 LEU CG C 13 26.616 0.200 . 1 . . . A 41 LEU CG . 19732 1 488 . 1 1 41 41 LEU CD1 C 13 23.925 0.200 . 2 . . . A 41 LEU CD1 . 19732 1 489 . 1 1 41 41 LEU N N 15 119.050 0.200 . 1 . . . A 41 LEU N . 19732 1 490 . 1 1 42 42 PRO HA H 1 4.302 0.025 . 1 . . . A 42 PRO HA . 19732 1 491 . 1 1 42 42 PRO HB2 H 1 2.235 0.025 . 2 . . . A 42 PRO HB2 . 19732 1 492 . 1 1 42 42 PRO HB3 H 1 2.235 0.025 . 2 . . . A 42 PRO HB3 . 19732 1 493 . 1 1 42 42 PRO HG2 H 1 1.943 0.025 . 2 . . . A 42 PRO HG2 . 19732 1 494 . 1 1 42 42 PRO HG3 H 1 1.943 0.025 . 2 . . . A 42 PRO HG3 . 19732 1 495 . 1 1 42 42 PRO HD2 H 1 3.647 0.025 . 2 . . . A 42 PRO HD2 . 19732 1 496 . 1 1 42 42 PRO HD3 H 1 3.647 0.025 . 2 . . . A 42 PRO HD3 . 19732 1 497 . 1 1 42 42 PRO C C 13 177.620 0.200 . 1 . . . A 42 PRO C . 19732 1 498 . 1 1 42 42 PRO CA C 13 63.771 0.200 . 1 . . . A 42 PRO CA . 19732 1 499 . 1 1 42 42 PRO CB C 13 31.681 0.200 . 1 . . . A 42 PRO CB . 19732 1 500 . 1 1 42 42 PRO CG C 13 27.338 0.200 . 1 . . . A 42 PRO CG . 19732 1 501 . 1 1 42 42 PRO CD C 13 50.449 0.200 . 1 . . . A 42 PRO CD . 19732 1 502 . 1 1 43 43 THR H H 1 7.671 0.025 . 1 . . . A 43 THR H . 19732 1 503 . 1 1 43 43 THR HA H 1 4.256 0.025 . 1 . . . A 43 THR HA . 19732 1 504 . 1 1 43 43 THR HB H 1 4.234 0.025 . 1 . . . A 43 THR HB . 19732 1 505 . 1 1 43 43 THR HG21 H 1 1.128 0.025 . 1 . . . A 43 THR MG . 19732 1 506 . 1 1 43 43 THR HG22 H 1 1.128 0.025 . 1 . . . A 43 THR MG . 19732 1 507 . 1 1 43 43 THR HG23 H 1 1.128 0.025 . 1 . . . A 43 THR MG . 19732 1 508 . 1 1 43 43 THR C C 13 174.467 0.200 . 1 . . . A 43 THR C . 19732 1 509 . 1 1 43 43 THR CA C 13 61.657 0.200 . 1 . . . A 43 THR CA . 19732 1 510 . 1 1 43 43 THR CB C 13 69.450 0.200 . 1 . . . A 43 THR CB . 19732 1 511 . 1 1 43 43 THR CG2 C 13 21.735 0.200 . 1 . . . A 43 THR CG2 . 19732 1 512 . 1 1 43 43 THR N N 15 109.752 0.200 . 1 . . . A 43 THR N . 19732 1 513 . 1 1 44 44 MET H H 1 8.037 0.025 . 1 . . . A 44 MET H . 19732 1 514 . 1 1 44 44 MET HA H 1 4.363 0.025 . 1 . . . A 44 MET HA . 19732 1 515 . 1 1 44 44 MET HB2 H 1 2.020 0.025 . 2 . . . A 44 MET HB2 . 19732 1 516 . 1 1 44 44 MET HB3 H 1 1.926 0.025 . 2 . . . A 44 MET HB3 . 19732 1 517 . 1 1 44 44 MET HG2 H 1 2.429 0.025 . 2 . . . A 44 MET HG2 . 19732 1 518 . 1 1 44 44 MET C C 13 175.373 0.200 . 1 . . . A 44 MET C . 19732 1 519 . 1 1 44 44 MET CA C 13 55.710 0.200 . 1 . . . A 44 MET CA . 19732 1 520 . 1 1 44 44 MET CB C 13 32.989 0.200 . 1 . . . A 44 MET CB . 19732 1 521 . 1 1 44 44 MET CG C 13 31.948 0.200 . 1 . . . A 44 MET CG . 19732 1 522 . 1 1 44 44 MET N N 15 121.568 0.200 . 1 . . . A 44 MET N . 19732 1 523 . 1 1 45 45 ASP H H 1 8.230 0.025 . 1 . . . A 45 ASP H . 19732 1 524 . 1 1 45 45 ASP HA H 1 4.521 0.025 . 1 . . . A 45 ASP HA . 19732 1 525 . 1 1 45 45 ASP HB2 H 1 2.515 0.025 . 2 . . . A 45 ASP HB2 . 19732 1 526 . 1 1 45 45 ASP HB3 H 1 2.515 0.025 . 2 . . . A 45 ASP HB3 . 19732 1 527 . 1 1 45 45 ASP C C 13 176.022 0.200 . 1 . . . A 45 ASP C . 19732 1 528 . 1 1 45 45 ASP CA C 13 54.371 0.200 . 1 . . . A 45 ASP CA . 19732 1 529 . 1 1 45 45 ASP CB C 13 41.147 0.200 . 1 . . . A 45 ASP CB . 19732 1 530 . 1 1 45 45 ASP N N 15 121.980 0.200 . 1 . . . A 45 ASP N . 19732 1 531 . 1 1 46 46 LEU H H 1 8.028 0.025 . 1 . . . A 46 LEU H . 19732 1 532 . 1 1 46 46 LEU HA H 1 4.144 0.025 . 1 . . . A 46 LEU HA . 19732 1 533 . 1 1 46 46 LEU HB2 H 1 1.396 0.025 . 2 . . . A 46 LEU HB2 . 19732 1 534 . 1 1 46 46 LEU HB3 H 1 1.396 0.025 . 2 . . . A 46 LEU HB3 . 19732 1 535 . 1 1 46 46 LEU HG H 1 1.547 0.025 . 1 . . . A 46 LEU HG . 19732 1 536 . 1 1 46 46 LEU HD11 H 1 0.831 0.025 . 2 . . . A 46 LEU MD1 . 19732 1 537 . 1 1 46 46 LEU HD12 H 1 0.831 0.025 . 2 . . . A 46 LEU MD1 . 19732 1 538 . 1 1 46 46 LEU HD13 H 1 0.831 0.025 . 2 . . . A 46 LEU MD1 . 19732 1 539 . 1 1 46 46 LEU HD21 H 1 0.755 0.025 . 2 . . . A 46 LEU MD2 . 19732 1 540 . 1 1 46 46 LEU HD22 H 1 0.755 0.025 . 2 . . . A 46 LEU MD2 . 19732 1 541 . 1 1 46 46 LEU HD23 H 1 0.755 0.025 . 2 . . . A 46 LEU MD2 . 19732 1 542 . 1 1 46 46 LEU C C 13 177.018 0.200 . 1 . . . A 46 LEU C . 19732 1 543 . 1 1 46 46 LEU CA C 13 55.913 0.200 . 1 . . . A 46 LEU CA . 19732 1 544 . 1 1 46 46 LEU CB C 13 42.176 0.200 . 1 . . . A 46 LEU CB . 19732 1 545 . 1 1 46 46 LEU CG C 13 26.732 0.200 . 1 . . . A 46 LEU CG . 19732 1 546 . 1 1 46 46 LEU CD1 C 13 24.704 0.200 . 2 . . . A 46 LEU CD1 . 19732 1 547 . 1 1 46 46 LEU CD2 C 13 23.446 0.200 . 2 . . . A 46 LEU CD2 . 19732 1 548 . 1 1 46 46 LEU N N 15 122.192 0.200 . 1 . . . A 46 LEU N . 19732 1 549 . 1 1 47 47 ASP H H 1 8.238 0.025 . 1 . . . A 47 ASP H . 19732 1 550 . 1 1 47 47 ASP HA H 1 4.525 0.025 . 1 . . . A 47 ASP HA . 19732 1 551 . 1 1 47 47 ASP HB2 H 1 2.649 0.025 . 2 . . . A 47 ASP HB2 . 19732 1 552 . 1 1 47 47 ASP HB3 H 1 2.649 0.025 . 2 . . . A 47 ASP HB3 . 19732 1 553 . 1 1 47 47 ASP C C 13 176.370 0.200 . 1 . . . A 47 ASP C . 19732 1 554 . 1 1 47 47 ASP CA C 13 54.207 0.200 . 1 . . . A 47 ASP CA . 19732 1 555 . 1 1 47 47 ASP CB C 13 41.154 0.200 . 1 . . . A 47 ASP CB . 19732 1 556 . 1 1 47 47 ASP N N 15 120.573 0.200 . 1 . . . A 47 ASP N . 19732 1 557 . 1 1 48 48 CYS H H 1 8.068 0.025 . 1 . . . A 48 CYS H . 19732 1 558 . 1 1 48 48 CYS HA H 1 4.429 0.025 . 1 . . . A 48 CYS HA . 19732 1 559 . 1 1 48 48 CYS HB2 H 1 2.849 0.025 . 2 . . . A 48 CYS HB2 . 19732 1 560 . 1 1 48 48 CYS HB3 H 1 2.849 0.025 . 2 . . . A 48 CYS HB3 . 19732 1 561 . 1 1 48 48 CYS C C 13 174.340 0.200 . 1 . . . A 48 CYS C . 19732 1 562 . 1 1 48 48 CYS CA C 13 58.513 0.200 . 1 . . . A 48 CYS CA . 19732 1 563 . 1 1 48 48 CYS CB C 13 27.953 0.200 . 1 . . . A 48 CYS CB . 19732 1 564 . 1 1 48 48 CYS N N 15 118.464 0.200 . 1 . . . A 48 CYS N . 19732 1 565 . 1 1 49 49 SER H H 1 8.185 0.025 . 1 . . . A 49 SER H . 19732 1 566 . 1 1 49 49 SER HA H 1 4.302 0.025 . 1 . . . A 49 SER HA . 19732 1 567 . 1 1 49 49 SER HB2 H 1 3.738 0.025 . 2 . . . A 49 SER HB2 . 19732 1 568 . 1 1 49 49 SER HB3 H 1 3.738 0.025 . 2 . . . A 49 SER HB3 . 19732 1 569 . 1 1 49 49 SER C C 13 173.897 0.200 . 1 . . . A 49 SER C . 19732 1 570 . 1 1 49 49 SER CA C 13 58.718 0.200 . 1 . . . A 49 SER CA . 19732 1 571 . 1 1 49 49 SER CB C 13 63.636 0.200 . 1 . . . A 49 SER CB . 19732 1 572 . 1 1 49 49 SER N N 15 116.784 0.200 . 1 . . . A 49 SER N . 19732 1 573 . 1 1 50 50 TYR H H 1 7.776 0.025 . 1 . . . A 50 TYR H . 19732 1 574 . 1 1 50 50 TYR HA H 1 4.512 0.025 . 1 . . . A 50 TYR HA . 19732 1 575 . 1 1 50 50 TYR HB2 H 1 3.031 0.025 . 2 . . . A 50 TYR HB2 . 19732 1 576 . 1 1 50 50 TYR HB3 H 1 2.859 0.025 . 2 . . . A 50 TYR HB3 . 19732 1 577 . 1 1 50 50 TYR HD1 H 1 7.014 0.025 . 3 . . . A 50 TYR HD1 . 19732 1 578 . 1 1 50 50 TYR HE1 H 1 6.730 0.025 . 3 . . . A 50 TYR HE1 . 19732 1 579 . 1 1 50 50 TYR HE2 H 1 6.730 0.025 . 3 . . . A 50 TYR HE2 . 19732 1 580 . 1 1 50 50 TYR C C 13 174.818 0.200 . 1 . . . A 50 TYR C . 19732 1 581 . 1 1 50 50 TYR CA C 13 57.486 0.200 . 1 . . . A 50 TYR CA . 19732 1 582 . 1 1 50 50 TYR CB C 13 38.796 0.200 . 1 . . . A 50 TYR CB . 19732 1 583 . 1 1 50 50 TYR CD1 C 13 133.168 0.200 . 3 . . . A 50 TYR CD1 . 19732 1 584 . 1 1 50 50 TYR CE1 C 13 118.111 0.200 . 3 . . . A 50 TYR CE1 . 19732 1 585 . 1 1 50 50 TYR N N 15 120.886 0.200 . 1 . . . A 50 TYR N . 19732 1 586 . 1 1 51 51 GLU H H 1 8.026 0.025 . 1 . . . A 51 GLU H . 19732 1 587 . 1 1 51 51 GLU HA H 1 4.555 0.025 . 1 . . . A 51 GLU HA . 19732 1 588 . 1 1 51 51 GLU HB2 H 1 2.020 0.025 . 2 . . . A 51 GLU HB2 . 19732 1 589 . 1 1 51 51 GLU HB3 H 1 1.870 0.025 . 2 . . . A 51 GLU HB3 . 19732 1 590 . 1 1 51 51 GLU HG2 H 1 2.176 0.025 . 2 . . . A 51 GLU HG2 . 19732 1 591 . 1 1 51 51 GLU HG3 H 1 2.176 0.025 . 2 . . . A 51 GLU HG3 . 19732 1 592 . 1 1 51 51 GLU C C 13 174.508 0.200 . 1 . . . A 51 GLU C . 19732 1 593 . 1 1 51 51 GLU CA C 13 53.928 0.200 . 1 . . . A 51 GLU CA . 19732 1 594 . 1 1 51 51 GLU CB C 13 30.225 0.200 . 1 . . . A 51 GLU CB . 19732 1 595 . 1 1 51 51 GLU CG C 13 36.085 0.200 . 1 . . . A 51 GLU CG . 19732 1 596 . 1 1 51 51 GLU N N 15 122.800 0.200 . 1 . . . A 51 GLU N . 19732 1 597 . 1 1 52 52 PRO HA H 1 4.302 0.025 . 1 . . . A 52 PRO HA . 19732 1 598 . 1 1 52 52 PRO HB2 H 1 2.241 0.025 . 2 . . . A 52 PRO HB2 . 19732 1 599 . 1 1 52 52 PRO HB3 H 1 2.241 0.025 . 2 . . . A 52 PRO HB3 . 19732 1 600 . 1 1 52 52 PRO HG2 H 1 1.936 0.025 . 2 . . . A 52 PRO HG2 . 19732 1 601 . 1 1 52 52 PRO HG3 H 1 1.936 0.025 . 2 . . . A 52 PRO HG3 . 19732 1 602 . 1 1 52 52 PRO HD2 H 1 3.508 0.025 . 2 . . . A 52 PRO HD2 . 19732 1 603 . 1 1 52 52 PRO HD3 H 1 3.340 0.025 . 2 . . . A 52 PRO HD3 . 19732 1 604 . 1 1 52 52 PRO C C 13 176.065 0.200 . 1 . . . A 52 PRO C . 19732 1 605 . 1 1 52 52 PRO CA C 13 63.684 0.200 . 1 . . . A 52 PRO CA . 19732 1 606 . 1 1 52 52 PRO CB C 13 31.563 0.200 . 1 . . . A 52 PRO CB . 19732 1 607 . 1 1 52 52 PRO CG C 13 27.032 0.200 . 1 . . . A 52 PRO CG . 19732 1 608 . 1 1 52 52 PRO CD C 13 49.587 0.200 . 1 . . . A 52 PRO CD . 19732 1 609 . 1 1 53 53 SER H H 1 7.934 0.025 . 1 . . . A 53 SER H . 19732 1 610 . 1 1 53 53 SER HA H 1 4.302 0.025 . 1 . . . A 53 SER HA . 19732 1 611 . 1 1 53 53 SER HB2 H 1 4.001 0.025 . 2 . . . A 53 SER HB2 . 19732 1 612 . 1 1 53 53 SER HB3 H 1 4.001 0.025 . 2 . . . A 53 SER HB3 . 19732 1 613 . 1 1 53 53 SER C C 13 173.858 0.200 . 1 . . . A 53 SER C . 19732 1 614 . 1 1 53 53 SER CA C 13 58.508 0.200 . 1 . . . A 53 SER CA . 19732 1 615 . 1 1 53 53 SER CB C 13 63.636 0.200 . 1 . . . A 53 SER CB . 19732 1 616 . 1 1 53 53 SER N N 15 110.611 0.200 . 1 . . . A 53 SER N . 19732 1 617 . 1 1 54 54 ASN H H 1 7.666 0.025 . 1 . . . A 54 ASN H . 19732 1 618 . 1 1 54 54 ASN HA H 1 4.878 0.025 . 1 . . . A 54 ASN HA . 19732 1 619 . 1 1 54 54 ASN HB2 H 1 3.009 0.025 . 2 . . . A 54 ASN HB2 . 19732 1 620 . 1 1 54 54 ASN HB3 H 1 2.871 0.025 . 2 . . . A 54 ASN HB3 . 19732 1 621 . 1 1 54 54 ASN HD21 H 1 7.021 0.025 . 2 . . . A 54 ASN HD21 . 19732 1 622 . 1 1 54 54 ASN HD22 H 1 7.742 0.025 . 2 . . . A 54 ASN HD22 . 19732 1 623 . 1 1 54 54 ASN C C 13 174.167 0.200 . 1 . . . A 54 ASN C . 19732 1 624 . 1 1 54 54 ASN CA C 13 51.471 0.200 . 1 . . . A 54 ASN CA . 19732 1 625 . 1 1 54 54 ASN CB C 13 39.004 0.200 . 1 . . . A 54 ASN CB . 19732 1 626 . 1 1 54 54 ASN N N 15 121.155 0.200 . 1 . . . A 54 ASN N . 19732 1 627 . 1 1 54 54 ASN ND2 N 15 113.659 0.200 . 1 . . . A 54 ASN ND2 . 19732 1 628 . 1 1 55 55 PRO HA H 1 4.029 0.025 . 1 . . . A 55 PRO HA . 19732 1 629 . 1 1 55 55 PRO HB2 H 1 2.250 0.025 . 2 . . . A 55 PRO HB2 . 19732 1 630 . 1 1 55 55 PRO HB3 H 1 1.956 0.025 . 2 . . . A 55 PRO HB3 . 19732 1 631 . 1 1 55 55 PRO HG2 H 1 2.116 0.025 . 2 . . . A 55 PRO HG2 . 19732 1 632 . 1 1 55 55 PRO HG3 H 1 2.116 0.025 . 2 . . . A 55 PRO HG3 . 19732 1 633 . 1 1 55 55 PRO HD2 H 1 3.983 0.025 . 2 . . . A 55 PRO HD2 . 19732 1 634 . 1 1 55 55 PRO HD3 H 1 3.817 0.025 . 2 . . . A 55 PRO HD3 . 19732 1 635 . 1 1 55 55 PRO C C 13 177.787 0.200 . 1 . . . A 55 PRO C . 19732 1 636 . 1 1 55 55 PRO CA C 13 65.586 0.200 . 1 . . . A 55 PRO CA . 19732 1 637 . 1 1 55 55 PRO CB C 13 32.363 0.200 . 1 . . . A 55 PRO CB . 19732 1 638 . 1 1 55 55 PRO CG C 13 27.715 0.200 . 1 . . . A 55 PRO CG . 19732 1 639 . 1 1 55 55 PRO CD C 13 50.986 0.200 . 1 . . . A 55 PRO CD . 19732 1 640 . 1 1 56 56 GLU H H 1 8.153 0.025 . 1 . . . A 56 GLU H . 19732 1 641 . 1 1 56 56 GLU HA H 1 4.070 0.025 . 1 . . . A 56 GLU HA . 19732 1 642 . 1 1 56 56 GLU HB2 H 1 2.009 0.025 . 2 . . . A 56 GLU HB2 . 19732 1 643 . 1 1 56 56 GLU HB3 H 1 2.009 0.025 . 2 . . . A 56 GLU HB3 . 19732 1 644 . 1 1 56 56 GLU HG2 H 1 2.277 0.025 . 2 . . . A 56 GLU HG2 . 19732 1 645 . 1 1 56 56 GLU HG3 H 1 2.227 0.025 . 2 . . . A 56 GLU HG3 . 19732 1 646 . 1 1 56 56 GLU C C 13 179.258 0.200 . 1 . . . A 56 GLU C . 19732 1 647 . 1 1 56 56 GLU CA C 13 59.472 0.200 . 1 . . . A 56 GLU CA . 19732 1 648 . 1 1 56 56 GLU CB C 13 29.124 0.200 . 1 . . . A 56 GLU CB . 19732 1 649 . 1 1 56 56 GLU CG C 13 36.461 0.200 . 1 . . . A 56 GLU CG . 19732 1 650 . 1 1 56 56 GLU N N 15 117.292 0.200 . 1 . . . A 56 GLU N . 19732 1 651 . 1 1 57 57 VAL H H 1 7.556 0.025 . 1 . . . A 57 VAL H . 19732 1 652 . 1 1 57 57 VAL HA H 1 3.568 0.025 . 1 . . . A 57 VAL HA . 19732 1 653 . 1 1 57 57 VAL HB H 1 2.231 0.025 . 1 . . . A 57 VAL HB . 19732 1 654 . 1 1 57 57 VAL HG11 H 1 1.017 0.025 . 2 . . . A 57 VAL MG1 . 19732 1 655 . 1 1 57 57 VAL HG12 H 1 1.017 0.025 . 2 . . . A 57 VAL MG1 . 19732 1 656 . 1 1 57 57 VAL HG13 H 1 1.017 0.025 . 2 . . . A 57 VAL MG1 . 19732 1 657 . 1 1 57 57 VAL HG21 H 1 0.867 0.025 . 2 . . . A 57 VAL MG2 . 19732 1 658 . 1 1 57 57 VAL HG22 H 1 0.867 0.025 . 2 . . . A 57 VAL MG2 . 19732 1 659 . 1 1 57 57 VAL HG23 H 1 0.867 0.025 . 2 . . . A 57 VAL MG2 . 19732 1 660 . 1 1 57 57 VAL C C 13 178.039 0.200 . 1 . . . A 57 VAL C . 19732 1 661 . 1 1 57 57 VAL CA C 13 65.965 0.200 . 1 . . . A 57 VAL CA . 19732 1 662 . 1 1 57 57 VAL CB C 13 31.985 0.200 . 1 . . . A 57 VAL CB . 19732 1 663 . 1 1 57 57 VAL CG1 C 13 22.825 0.200 . 2 . . . A 57 VAL CG1 . 19732 1 664 . 1 1 57 57 VAL CG2 C 13 21.182 0.200 . 2 . . . A 57 VAL CG2 . 19732 1 665 . 1 1 57 57 VAL N N 15 120.730 0.200 . 1 . . . A 57 VAL N . 19732 1 666 . 1 1 58 58 ILE H H 1 7.784 0.025 . 1 . . . A 58 ILE H . 19732 1 667 . 1 1 58 58 ILE HA H 1 3.710 0.025 . 1 . . . A 58 ILE HA . 19732 1 668 . 1 1 58 58 ILE HB H 1 1.850 0.025 . 1 . . . A 58 ILE HB . 19732 1 669 . 1 1 58 58 ILE HG12 H 1 1.631 0.025 . 2 . . . A 58 ILE HG12 . 19732 1 670 . 1 1 58 58 ILE HG13 H 1 1.010 0.025 . 2 . . . A 58 ILE HG13 . 19732 1 671 . 1 1 58 58 ILE HG21 H 1 0.869 0.025 . 1 . . . A 58 ILE MG . 19732 1 672 . 1 1 58 58 ILE HG22 H 1 0.869 0.025 . 1 . . . A 58 ILE MG . 19732 1 673 . 1 1 58 58 ILE HG23 H 1 0.869 0.025 . 1 . . . A 58 ILE MG . 19732 1 674 . 1 1 58 58 ILE HD11 H 1 0.666 0.025 . 1 . . . A 58 ILE MD . 19732 1 675 . 1 1 58 58 ILE HD12 H 1 0.666 0.025 . 1 . . . A 58 ILE MD . 19732 1 676 . 1 1 58 58 ILE HD13 H 1 0.666 0.025 . 1 . . . A 58 ILE MD . 19732 1 677 . 1 1 58 58 ILE C C 13 178.096 0.200 . 1 . . . A 58 ILE C . 19732 1 678 . 1 1 58 58 ILE CA C 13 65.212 0.200 . 1 . . . A 58 ILE CA . 19732 1 679 . 1 1 58 58 ILE CB C 13 37.318 0.200 . 1 . . . A 58 ILE CB . 19732 1 680 . 1 1 58 58 ILE CG1 C 13 29.082 0.200 . 1 . . . A 58 ILE CG1 . 19732 1 681 . 1 1 58 58 ILE CG2 C 13 18.383 0.200 . 1 . . . A 58 ILE CG2 . 19732 1 682 . 1 1 58 58 ILE CD1 C 13 12.709 0.200 . 1 . . . A 58 ILE CD1 . 19732 1 683 . 1 1 58 58 ILE N N 15 119.892 0.200 . 1 . . . A 58 ILE N . 19732 1 684 . 1 1 59 59 HIS H H 1 8.350 0.025 . 1 . . . A 59 HIS H . 19732 1 685 . 1 1 59 59 HIS HA H 1 4.147 0.025 . 1 . . . A 59 HIS HA . 19732 1 686 . 1 1 59 59 HIS HB2 H 1 3.266 0.025 . 2 . . . A 59 HIS HB2 . 19732 1 687 . 1 1 59 59 HIS HB3 H 1 3.266 0.025 . 2 . . . A 59 HIS HB3 . 19732 1 688 . 1 1 59 59 HIS HD2 H 1 6.808 0.025 . 1 . . . A 59 HIS HD2 . 19732 1 689 . 1 1 59 59 HIS HE1 H 1 7.630 0.025 . 1 . . . A 59 HIS HE1 . 19732 1 690 . 1 1 59 59 HIS C C 13 177.576 0.200 . 1 . . . A 59 HIS C . 19732 1 691 . 1 1 59 59 HIS CA C 13 60.495 0.200 . 1 . . . A 59 HIS CA . 19732 1 692 . 1 1 59 59 HIS CB C 13 30.279 0.200 . 1 . . . A 59 HIS CB . 19732 1 693 . 1 1 59 59 HIS CD2 C 13 119.522 0.200 . 1 . . . A 59 HIS CD2 . 19732 1 694 . 1 1 59 59 HIS CE1 C 13 137.800 0.200 . 1 . . . A 59 HIS CE1 . 19732 1 695 . 1 1 59 59 HIS N N 15 117.644 0.200 . 1 . . . A 59 HIS N . 19732 1 696 . 1 1 60 60 ARG H H 1 7.776 0.025 . 1 . . . A 60 ARG H . 19732 1 697 . 1 1 60 60 ARG HA H 1 4.046 0.025 . 1 . . . A 60 ARG HA . 19732 1 698 . 1 1 60 60 ARG HB2 H 1 2.042 0.025 . 2 . . . A 60 ARG HB2 . 19732 1 699 . 1 1 60 60 ARG HB3 H 1 1.956 0.025 . 2 . . . A 60 ARG HB3 . 19732 1 700 . 1 1 60 60 ARG HG2 H 1 1.849 0.025 . 2 . . . A 60 ARG HG2 . 19732 1 701 . 1 1 60 60 ARG HG3 H 1 1.609 0.025 . 2 . . . A 60 ARG HG3 . 19732 1 702 . 1 1 60 60 ARG HD2 H 1 3.208 0.025 . 2 . . . A 60 ARG HD2 . 19732 1 703 . 1 1 60 60 ARG HD3 H 1 3.149 0.025 . 2 . . . A 60 ARG HD3 . 19732 1 704 . 1 1 60 60 ARG C C 13 179.642 0.200 . 1 . . . A 60 ARG C . 19732 1 705 . 1 1 60 60 ARG CA C 13 59.946 0.200 . 1 . . . A 60 ARG CA . 19732 1 706 . 1 1 60 60 ARG CB C 13 30.307 0.200 . 1 . . . A 60 ARG CB . 19732 1 707 . 1 1 60 60 ARG CG C 13 27.832 0.200 . 1 . . . A 60 ARG CG . 19732 1 708 . 1 1 60 60 ARG CD C 13 43.753 0.200 . 1 . . . A 60 ARG CD . 19732 1 709 . 1 1 60 60 ARG N N 15 118.248 0.200 . 1 . . . A 60 ARG N . 19732 1 710 . 1 1 61 61 GLN H H 1 8.460 0.025 . 1 . . . A 61 GLN H . 19732 1 711 . 1 1 61 61 GLN HA H 1 4.066 0.025 . 1 . . . A 61 GLN HA . 19732 1 712 . 1 1 61 61 GLN HB2 H 1 2.317 0.025 . 2 . . . A 61 GLN HB2 . 19732 1 713 . 1 1 61 61 GLN HB3 H 1 2.317 0.025 . 2 . . . A 61 GLN HB3 . 19732 1 714 . 1 1 61 61 GLN HG2 H 1 2.459 0.025 . 2 . . . A 61 GLN HG2 . 19732 1 715 . 1 1 61 61 GLN HG3 H 1 2.337 0.025 . 2 . . . A 61 GLN HG3 . 19732 1 716 . 1 1 61 61 GLN HE21 H 1 6.228 0.025 . 2 . . . A 61 GLN HE21 . 19732 1 717 . 1 1 61 61 GLN HE22 H 1 6.746 0.025 . 2 . . . A 61 GLN HE22 . 19732 1 718 . 1 1 61 61 GLN C C 13 178.650 0.200 . 1 . . . A 61 GLN C . 19732 1 719 . 1 1 61 61 GLN CA C 13 59.025 0.200 . 1 . . . A 61 GLN CA . 19732 1 720 . 1 1 61 61 GLN CB C 13 28.152 0.200 . 1 . . . A 61 GLN CB . 19732 1 721 . 1 1 61 61 GLN CG C 13 33.630 0.200 . 1 . . . A 61 GLN CG . 19732 1 722 . 1 1 61 61 GLN N N 15 119.475 0.200 . 1 . . . A 61 GLN N . 19732 1 723 . 1 1 61 61 GLN NE2 N 15 107.334 0.200 . 1 . . . A 61 GLN NE2 . 19732 1 724 . 1 1 62 62 LEU H H 1 8.742 0.025 . 1 . . . A 62 LEU H . 19732 1 725 . 1 1 62 62 LEU HA H 1 4.128 0.025 . 1 . . . A 62 LEU HA . 19732 1 726 . 1 1 62 62 LEU HB2 H 1 1.733 0.025 . 2 . . . A 62 LEU HB2 . 19732 1 727 . 1 1 62 62 LEU HB3 H 1 1.733 0.025 . 2 . . . A 62 LEU HB3 . 19732 1 728 . 1 1 62 62 LEU HG H 1 2.034 0.025 . 1 . . . A 62 LEU HG . 19732 1 729 . 1 1 62 62 LEU HD11 H 1 0.818 0.025 . 2 . . . A 62 LEU MD1 . 19732 1 730 . 1 1 62 62 LEU HD12 H 1 0.818 0.025 . 2 . . . A 62 LEU MD1 . 19732 1 731 . 1 1 62 62 LEU HD13 H 1 0.818 0.025 . 2 . . . A 62 LEU MD1 . 19732 1 732 . 1 1 62 62 LEU C C 13 179.260 0.200 . 1 . . . A 62 LEU C . 19732 1 733 . 1 1 62 62 LEU CA C 13 57.995 0.200 . 1 . . . A 62 LEU CA . 19732 1 734 . 1 1 62 62 LEU CB C 13 41.631 0.200 . 1 . . . A 62 LEU CB . 19732 1 735 . 1 1 62 62 LEU CG C 13 26.669 0.200 . 1 . . . A 62 LEU CG . 19732 1 736 . 1 1 62 62 LEU CD1 C 13 22.986 0.200 . 2 . . . A 62 LEU CD1 . 19732 1 737 . 1 1 62 62 LEU N N 15 117.882 0.200 . 1 . . . A 62 LEU N . 19732 1 738 . 1 1 63 63 ASN H H 1 8.279 0.025 . 1 . . . A 63 ASN H . 19732 1 739 . 1 1 63 63 ASN HA H 1 4.230 0.025 . 1 . . . A 63 ASN HA . 19732 1 740 . 1 1 63 63 ASN HB2 H 1 2.857 0.025 . 2 . . . A 63 ASN HB2 . 19732 1 741 . 1 1 63 63 ASN HB3 H 1 2.690 0.025 . 2 . . . A 63 ASN HB3 . 19732 1 742 . 1 1 63 63 ASN HD21 H 1 6.436 0.025 . 2 . . . A 63 ASN HD21 . 19732 1 743 . 1 1 63 63 ASN HD22 H 1 7.005 0.025 . 2 . . . A 63 ASN HD22 . 19732 1 744 . 1 1 63 63 ASN C C 13 178.050 0.200 . 1 . . . A 63 ASN C . 19732 1 745 . 1 1 63 63 ASN CA C 13 56.665 0.200 . 1 . . . A 63 ASN CA . 19732 1 746 . 1 1 63 63 ASN CB C 13 38.678 0.200 . 1 . . . A 63 ASN CB . 19732 1 747 . 1 1 63 63 ASN N N 15 117.409 0.200 . 1 . . . A 63 ASN N . 19732 1 748 . 1 1 63 63 ASN ND2 N 15 109.748 0.200 . 1 . . . A 63 ASN ND2 . 19732 1 749 . 1 1 64 64 ARG H H 1 7.784 0.025 . 1 . . . A 64 ARG H . 19732 1 750 . 1 1 64 64 ARG HA H 1 4.042 0.025 . 1 . . . A 64 ARG HA . 19732 1 751 . 1 1 64 64 ARG HB2 H 1 2.039 0.025 . 2 . . . A 64 ARG HB2 . 19732 1 752 . 1 1 64 64 ARG HB3 H 1 2.039 0.025 . 2 . . . A 64 ARG HB3 . 19732 1 753 . 1 1 64 64 ARG HG2 H 1 1.829 0.025 . 2 . . . A 64 ARG HG2 . 19732 1 754 . 1 1 64 64 ARG HG3 H 1 1.687 0.025 . 2 . . . A 64 ARG HG3 . 19732 1 755 . 1 1 64 64 ARG HD2 H 1 3.163 0.025 . 2 . . . A 64 ARG HD2 . 19732 1 756 . 1 1 64 64 ARG C C 13 178.914 0.200 . 1 . . . A 64 ARG C . 19732 1 757 . 1 1 64 64 ARG CA C 13 58.860 0.200 . 1 . . . A 64 ARG CA . 19732 1 758 . 1 1 64 64 ARG CB C 13 29.769 0.200 . 1 . . . A 64 ARG CB . 19732 1 759 . 1 1 64 64 ARG CG C 13 27.406 0.200 . 1 . . . A 64 ARG CG . 19732 1 760 . 1 1 64 64 ARG CD C 13 43.309 0.200 . 1 . . . A 64 ARG CD . 19732 1 761 . 1 1 64 64 ARG N N 15 119.753 0.200 . 1 . . . A 64 ARG N . 19732 1 762 . 1 1 65 65 LEU H H 1 7.779 0.025 . 1 . . . A 65 LEU H . 19732 1 763 . 1 1 65 65 LEU HA H 1 3.939 0.025 . 1 . . . A 65 LEU HA . 19732 1 764 . 1 1 65 65 LEU HB2 H 1 2.012 0.025 . 2 . . . A 65 LEU HB2 . 19732 1 765 . 1 1 65 65 LEU HB3 H 1 1.418 0.025 . 2 . . . A 65 LEU HB3 . 19732 1 766 . 1 1 65 65 LEU HG H 1 1.489 0.025 . 1 . . . A 65 LEU HG . 19732 1 767 . 1 1 65 65 LEU HD11 H 1 0.106 0.025 . 2 . . . A 65 LEU MD1 . 19732 1 768 . 1 1 65 65 LEU HD12 H 1 0.106 0.025 . 2 . . . A 65 LEU MD1 . 19732 1 769 . 1 1 65 65 LEU HD13 H 1 0.106 0.025 . 2 . . . A 65 LEU MD1 . 19732 1 770 . 1 1 65 65 LEU HD21 H 1 0.357 0.025 . 2 . . . A 65 LEU MD2 . 19732 1 771 . 1 1 65 65 LEU HD22 H 1 0.357 0.025 . 2 . . . A 65 LEU MD2 . 19732 1 772 . 1 1 65 65 LEU HD23 H 1 0.357 0.025 . 2 . . . A 65 LEU MD2 . 19732 1 773 . 1 1 65 65 LEU C C 13 178.481 0.200 . 1 . . . A 65 LEU C . 19732 1 774 . 1 1 65 65 LEU CA C 13 58.307 0.200 . 1 . . . A 65 LEU CA . 19732 1 775 . 1 1 65 65 LEU CB C 13 42.457 0.200 . 1 . . . A 65 LEU CB . 19732 1 776 . 1 1 65 65 LEU CG C 13 26.617 0.200 . 1 . . . A 65 LEU CG . 19732 1 777 . 1 1 65 65 LEU CD1 C 13 24.943 0.200 . 2 . . . A 65 LEU CD1 . 19732 1 778 . 1 1 65 65 LEU CD2 C 13 24.193 0.200 . 2 . . . A 65 LEU CD2 . 19732 1 779 . 1 1 65 65 LEU N N 15 120.009 0.200 . 1 . . . A 65 LEU N . 19732 1 780 . 1 1 66 66 PHE H H 1 8.287 0.025 . 1 . . . A 66 PHE H . 19732 1 781 . 1 1 66 66 PHE HA H 1 3.975 0.025 . 1 . . . A 66 PHE HA . 19732 1 782 . 1 1 66 66 PHE HB2 H 1 2.439 0.025 . 2 . . . A 66 PHE HB2 . 19732 1 783 . 1 1 66 66 PHE HB3 H 1 2.439 0.025 . 2 . . . A 66 PHE HB3 . 19732 1 784 . 1 1 66 66 PHE HD1 H 1 6.057 0.025 . 3 . . . A 66 PHE HD1 . 19732 1 785 . 1 1 66 66 PHE HD2 H 1 6.057 0.025 . 3 . . . A 66 PHE HD2 . 19732 1 786 . 1 1 66 66 PHE HE2 H 1 6.625 0.025 . 3 . . . A 66 PHE HE2 . 19732 1 787 . 1 1 66 66 PHE HZ H 1 6.828 0.025 . 1 . . . A 66 PHE HZ . 19732 1 788 . 1 1 66 66 PHE C C 13 178.269 0.200 . 1 . . . A 66 PHE C . 19732 1 789 . 1 1 66 66 PHE CA C 13 60.837 0.200 . 1 . . . A 66 PHE CA . 19732 1 790 . 1 1 66 66 PHE CB C 13 38.751 0.200 . 1 . . . A 66 PHE CB . 19732 1 791 . 1 1 66 66 PHE CD2 C 13 130.826 0.200 . 3 . . . A 66 PHE CD2 . 19732 1 792 . 1 1 66 66 PHE CE2 C 13 130.475 0.200 . 3 . . . A 66 PHE CE2 . 19732 1 793 . 1 1 66 66 PHE CZ C 13 129.092 0.200 . 1 . . . A 66 PHE CZ . 19732 1 794 . 1 1 66 66 PHE N N 15 118.503 0.200 . 1 . . . A 66 PHE N . 19732 1 795 . 1 1 67 67 ALA H H 1 7.902 0.025 . 1 . . . A 67 ALA H . 19732 1 796 . 1 1 67 67 ALA HA H 1 3.899 0.025 . 1 . . . A 67 ALA HA . 19732 1 797 . 1 1 67 67 ALA HB1 H 1 1.420 0.025 . 1 . . . A 67 ALA MB . 19732 1 798 . 1 1 67 67 ALA HB2 H 1 1.420 0.025 . 1 . . . A 67 ALA MB . 19732 1 799 . 1 1 67 67 ALA HB3 H 1 1.420 0.025 . 1 . . . A 67 ALA MB . 19732 1 800 . 1 1 67 67 ALA C C 13 178.876 0.200 . 1 . . . A 67 ALA C . 19732 1 801 . 1 1 67 67 ALA CA C 13 53.658 0.200 . 1 . . . A 67 ALA CA . 19732 1 802 . 1 1 67 67 ALA CB C 13 18.041 0.200 . 1 . . . A 67 ALA CB . 19732 1 803 . 1 1 67 67 ALA N N 15 119.206 0.200 . 1 . . . A 67 ALA N . 19732 1 804 . 1 1 68 68 GLN H H 1 7.572 0.025 . 1 . . . A 68 GLN H . 19732 1 805 . 1 1 68 68 GLN HA H 1 4.115 0.025 . 1 . . . A 68 GLN HA . 19732 1 806 . 1 1 68 68 GLN HB2 H 1 2.387 0.025 . 2 . . . A 68 GLN HB2 . 19732 1 807 . 1 1 68 68 GLN HB3 H 1 2.291 0.025 . 2 . . . A 68 GLN HB3 . 19732 1 808 . 1 1 68 68 GLN HG2 H 1 2.669 0.025 . 2 . . . A 68 GLN HG2 . 19732 1 809 . 1 1 68 68 GLN HG3 H 1 2.514 0.025 . 2 . . . A 68 GLN HG3 . 19732 1 810 . 1 1 68 68 GLN HE21 H 1 7.621 0.025 . 2 . . . A 68 GLN HE21 . 19732 1 811 . 1 1 68 68 GLN HE22 H 1 6.986 0.025 . 2 . . . A 68 GLN HE22 . 19732 1 812 . 1 1 68 68 GLN C C 13 177.274 0.200 . 1 . . . A 68 GLN C . 19732 1 813 . 1 1 68 68 GLN CA C 13 56.396 0.200 . 1 . . . A 68 GLN CA . 19732 1 814 . 1 1 68 68 GLN CB C 13 28.841 0.200 . 1 . . . A 68 GLN CB . 19732 1 815 . 1 1 68 68 GLN CG C 13 34.174 0.200 . 1 . . . A 68 GLN CG . 19732 1 816 . 1 1 68 68 GLN N N 15 115.534 0.200 . 1 . . . A 68 GLN N . 19732 1 817 . 1 1 68 68 GLN NE2 N 15 112.525 0.200 . 1 . . . A 68 GLN NE2 . 19732 1 818 . 1 1 69 69 GLY H H 1 7.486 0.025 . 1 . . . A 69 GLY H . 19732 1 819 . 1 1 69 69 GLY HA2 H 1 4.599 0.025 . 2 . . . A 69 GLY HA2 . 19732 1 820 . 1 1 69 69 GLY HA3 H 1 3.610 0.025 . 2 . . . A 69 GLY HA3 . 19732 1 821 . 1 1 69 69 GLY C C 13 173.690 0.200 . 1 . . . A 69 GLY C . 19732 1 822 . 1 1 69 69 GLY CA C 13 43.887 0.200 . 1 . . . A 69 GLY CA . 19732 1 823 . 1 1 69 69 GLY N N 15 106.861 0.200 . 1 . . . A 69 GLY N . 19732 1 824 . 1 1 70 70 MET H H 1 8.245 0.025 . 1 . . . A 70 MET H . 19732 1 825 . 1 1 70 70 MET HA H 1 4.117 0.025 . 1 . . . A 70 MET HA . 19732 1 826 . 1 1 70 70 MET HB2 H 1 1.690 0.025 . 2 . . . A 70 MET HB2 . 19732 1 827 . 1 1 70 70 MET HB3 H 1 1.690 0.025 . 2 . . . A 70 MET HB3 . 19732 1 828 . 1 1 70 70 MET HG2 H 1 2.382 0.025 . 2 . . . A 70 MET HG2 . 19732 1 829 . 1 1 70 70 MET HG3 H 1 2.382 0.025 . 2 . . . A 70 MET HG3 . 19732 1 830 . 1 1 70 70 MET HE1 H 1 0.968 0.025 . 1 . . . A 70 MET ME . 19732 1 831 . 1 1 70 70 MET HE2 H 1 0.968 0.025 . 1 . . . A 70 MET ME . 19732 1 832 . 1 1 70 70 MET HE3 H 1 0.968 0.025 . 1 . . . A 70 MET ME . 19732 1 833 . 1 1 70 70 MET C C 13 177.743 0.200 . 1 . . . A 70 MET C . 19732 1 834 . 1 1 70 70 MET CA C 13 57.396 0.200 . 1 . . . A 70 MET CA . 19732 1 835 . 1 1 70 70 MET CB C 13 30.638 0.200 . 1 . . . A 70 MET CB . 19732 1 836 . 1 1 70 70 MET CG C 13 31.986 0.200 . 1 . . . A 70 MET CG . 19732 1 837 . 1 1 70 70 MET N N 15 119.355 0.200 . 1 . . . A 70 MET N . 19732 1 838 . 1 1 71 71 ALA H H 1 8.624 0.025 . 1 . . . A 71 ALA H . 19732 1 839 . 1 1 71 71 ALA HA H 1 4.063 0.025 . 1 . . . A 71 ALA HA . 19732 1 840 . 1 1 71 71 ALA HB1 H 1 1.419 0.025 . 1 . . . A 71 ALA MB . 19732 1 841 . 1 1 71 71 ALA HB2 H 1 1.419 0.025 . 1 . . . A 71 ALA MB . 19732 1 842 . 1 1 71 71 ALA HB3 H 1 1.419 0.025 . 1 . . . A 71 ALA MB . 19732 1 843 . 1 1 71 71 ALA C C 13 181.027 0.200 . 1 . . . A 71 ALA C . 19732 1 844 . 1 1 71 71 ALA CA C 13 55.642 0.200 . 1 . . . A 71 ALA CA . 19732 1 845 . 1 1 71 71 ALA CB C 13 17.565 0.200 . 1 . . . A 71 ALA CB . 19732 1 846 . 1 1 71 71 ALA N N 15 120.691 0.200 . 1 . . . A 71 ALA N . 19732 1 847 . 1 1 72 72 THR H H 1 7.525 0.025 . 1 . . . A 72 THR H . 19732 1 848 . 1 1 72 72 THR HA H 1 3.825 0.025 . 1 . . . A 72 THR HA . 19732 1 849 . 1 1 72 72 THR HB H 1 4.148 0.025 . 1 . . . A 72 THR HB . 19732 1 850 . 1 1 72 72 THR HG21 H 1 0.970 0.025 . 1 . . . A 72 THR MG . 19732 1 851 . 1 1 72 72 THR HG22 H 1 0.970 0.025 . 1 . . . A 72 THR MG . 19732 1 852 . 1 1 72 72 THR HG23 H 1 0.970 0.025 . 1 . . . A 72 THR MG . 19732 1 853 . 1 1 72 72 THR C C 13 174.861 0.200 . 1 . . . A 72 THR C . 19732 1 854 . 1 1 72 72 THR CA C 13 66.992 0.200 . 1 . . . A 72 THR CA . 19732 1 855 . 1 1 72 72 THR CB C 13 68.355 0.200 . 1 . . . A 72 THR CB . 19732 1 856 . 1 1 72 72 THR CG2 C 13 21.801 0.200 . 1 . . . A 72 THR CG2 . 19732 1 857 . 1 1 72 72 THR N N 15 116.354 0.200 . 1 . . . A 72 THR N . 19732 1 858 . 1 1 73 73 TRP H H 1 8.090 0.025 . 1 . . . A 73 TRP H . 19732 1 859 . 1 1 73 73 TRP HA H 1 4.331 0.025 . 1 . . . A 73 TRP HA . 19732 1 860 . 1 1 73 73 TRP HB2 H 1 3.524 0.025 . 2 . . . A 73 TRP HB2 . 19732 1 861 . 1 1 73 73 TRP HB3 H 1 3.524 0.025 . 2 . . . A 73 TRP HB3 . 19732 1 862 . 1 1 73 73 TRP HD1 H 1 7.531 0.025 . 1 . . . A 73 TRP HD1 . 19732 1 863 . 1 1 73 73 TRP HE1 H 1 10.479 0.025 . 1 . . . A 73 TRP HE1 . 19732 1 864 . 1 1 73 73 TRP HE3 H 1 7.395 0.025 . 1 . . . A 73 TRP HE3 . 19732 1 865 . 1 1 73 73 TRP HZ2 H 1 7.413 0.025 . 1 . . . A 73 TRP HZ2 . 19732 1 866 . 1 1 73 73 TRP HZ3 H 1 7.160 0.025 . 1 . . . A 73 TRP HZ3 . 19732 1 867 . 1 1 73 73 TRP HH2 H 1 7.142 0.025 . 1 . . . A 73 TRP HH2 . 19732 1 868 . 1 1 73 73 TRP C C 13 176.757 0.200 . 1 . . . A 73 TRP C . 19732 1 869 . 1 1 73 73 TRP CA C 13 60.559 0.200 . 1 . . . A 73 TRP CA . 19732 1 870 . 1 1 73 73 TRP CB C 13 30.356 0.200 . 1 . . . A 73 TRP CB . 19732 1 871 . 1 1 73 73 TRP CD1 C 13 126.962 0.200 . 1 . . . A 73 TRP CD1 . 19732 1 872 . 1 1 73 73 TRP CE3 C 13 120.088 0.200 . 1 . . . A 73 TRP CE3 . 19732 1 873 . 1 1 73 73 TRP CZ2 C 13 115.354 0.200 . 1 . . . A 73 TRP CZ2 . 19732 1 874 . 1 1 73 73 TRP CZ3 C 13 122.275 0.200 . 1 . . . A 73 TRP CZ3 . 19732 1 875 . 1 1 73 73 TRP CH2 C 13 123.381 0.200 . 1 . . . A 73 TRP CH2 . 19732 1 876 . 1 1 73 73 TRP N N 15 122.292 0.200 . 1 . . . A 73 TRP N . 19732 1 877 . 1 1 73 73 TRP NE1 N 15 129.128 0.200 . 1 . . . A 73 TRP NE1 . 19732 1 878 . 1 1 74 74 LYS H H 1 9.001 0.025 . 1 . . . A 74 LYS H . 19732 1 879 . 1 1 74 74 LYS HA H 1 3.739 0.025 . 1 . . . A 74 LYS HA . 19732 1 880 . 1 1 74 74 LYS HB2 H 1 1.879 0.025 . 2 . . . A 74 LYS HB2 . 19732 1 881 . 1 1 74 74 LYS HB3 H 1 1.879 0.025 . 2 . . . A 74 LYS HB3 . 19732 1 882 . 1 1 74 74 LYS HG2 H 1 1.655 0.025 . 2 . . . A 74 LYS HG2 . 19732 1 883 . 1 1 74 74 LYS HG3 H 1 1.440 0.025 . 2 . . . A 74 LYS HG3 . 19732 1 884 . 1 1 74 74 LYS HD2 H 1 1.659 0.025 . 2 . . . A 74 LYS HD2 . 19732 1 885 . 1 1 74 74 LYS HD3 H 1 1.659 0.025 . 2 . . . A 74 LYS HD3 . 19732 1 886 . 1 1 74 74 LYS HE2 H 1 2.945 0.025 . 2 . . . A 74 LYS HE2 . 19732 1 887 . 1 1 74 74 LYS HE3 H 1 2.945 0.025 . 2 . . . A 74 LYS HE3 . 19732 1 888 . 1 1 74 74 LYS C C 13 178.957 0.200 . 1 . . . A 74 LYS C . 19732 1 889 . 1 1 74 74 LYS CA C 13 60.433 0.200 . 1 . . . A 74 LYS CA . 19732 1 890 . 1 1 74 74 LYS CB C 13 32.322 0.200 . 1 . . . A 74 LYS CB . 19732 1 891 . 1 1 74 74 LYS CG C 13 26.100 0.200 . 1 . . . A 74 LYS CG . 19732 1 892 . 1 1 74 74 LYS CD C 13 29.656 0.200 . 1 . . . A 74 LYS CD . 19732 1 893 . 1 1 74 74 LYS CE C 13 41.936 0.200 . 1 . . . A 74 LYS CE . 19732 1 894 . 1 1 74 74 LYS N N 15 115.768 0.200 . 1 . . . A 74 LYS N . 19732 1 895 . 1 1 75 75 SER H H 1 7.604 0.025 . 1 . . . A 75 SER H . 19732 1 896 . 1 1 75 75 SER HA H 1 4.211 0.025 . 1 . . . A 75 SER HA . 19732 1 897 . 1 1 75 75 SER HB2 H 1 4.132 0.025 . 2 . . . A 75 SER HB2 . 19732 1 898 . 1 1 75 75 SER HB3 H 1 4.049 0.025 . 2 . . . A 75 SER HB3 . 19732 1 899 . 1 1 75 75 SER C C 13 175.465 0.200 . 1 . . . A 75 SER C . 19732 1 900 . 1 1 75 75 SER CA C 13 61.999 0.200 . 1 . . . A 75 SER CA . 19732 1 901 . 1 1 75 75 SER CB C 13 63.160 0.200 . 1 . . . A 75 SER CB . 19732 1 902 . 1 1 75 75 SER N N 15 115.378 0.200 . 1 . . . A 75 SER N . 19732 1 903 . 1 1 76 76 PHE H H 1 8.200 0.025 . 1 . . . A 76 PHE H . 19732 1 904 . 1 1 76 76 PHE HA H 1 4.016 0.025 . 1 . . . A 76 PHE HA . 19732 1 905 . 1 1 76 76 PHE HB2 H 1 2.802 0.025 . 2 . . . A 76 PHE HB2 . 19732 1 906 . 1 1 76 76 PHE HB3 H 1 2.452 0.025 . 2 . . . A 76 PHE HB3 . 19732 1 907 . 1 1 76 76 PHE HD1 H 1 6.419 0.025 . 3 . . . A 76 PHE HD1 . 19732 1 908 . 1 1 76 76 PHE HD2 H 1 6.419 0.025 . 3 . . . A 76 PHE HD2 . 19732 1 909 . 1 1 76 76 PHE HE2 H 1 6.833 0.025 . 3 . . . A 76 PHE HE2 . 19732 1 910 . 1 1 76 76 PHE HZ H 1 7.041 0.025 . 1 . . . A 76 PHE HZ . 19732 1 911 . 1 1 76 76 PHE C C 13 175.983 0.200 . 1 . . . A 76 PHE C . 19732 1 912 . 1 1 76 76 PHE CA C 13 61.482 0.200 . 1 . . . A 76 PHE CA . 19732 1 913 . 1 1 76 76 PHE CB C 13 38.279 0.200 . 1 . . . A 76 PHE CB . 19732 1 914 . 1 1 76 76 PHE CD2 C 13 131.879 0.200 . 3 . . . A 76 PHE CD2 . 19732 1 915 . 1 1 76 76 PHE CE2 C 13 130.468 0.200 . 3 . . . A 76 PHE CE2 . 19732 1 916 . 1 1 76 76 PHE CZ C 13 128.363 0.200 . 1 . . . A 76 PHE CZ . 19732 1 917 . 1 1 76 76 PHE N N 15 121.707 0.200 . 1 . . . A 76 PHE N . 19732 1 918 . 1 1 77 77 ILE H H 1 8.193 0.025 . 1 . . . A 77 ILE H . 19732 1 919 . 1 1 77 77 ILE HA H 1 3.331 0.025 . 1 . . . A 77 ILE HA . 19732 1 920 . 1 1 77 77 ILE HB H 1 1.836 0.025 . 1 . . . A 77 ILE HB . 19732 1 921 . 1 1 77 77 ILE HG12 H 1 0.895 0.025 . 2 . . . A 77 ILE HG12 . 19732 1 922 . 1 1 77 77 ILE HG13 H 1 0.534 0.025 . 2 . . . A 77 ILE HG13 . 19732 1 923 . 1 1 77 77 ILE HG21 H 1 0.802 0.025 . 1 . . . A 77 ILE MG . 19732 1 924 . 1 1 77 77 ILE HG22 H 1 0.802 0.025 . 1 . . . A 77 ILE MG . 19732 1 925 . 1 1 77 77 ILE HG23 H 1 0.802 0.025 . 1 . . . A 77 ILE MG . 19732 1 926 . 1 1 77 77 ILE HD11 H 1 0.259 0.025 . 1 . . . A 77 ILE MD . 19732 1 927 . 1 1 77 77 ILE HD12 H 1 0.259 0.025 . 1 . . . A 77 ILE MD . 19732 1 928 . 1 1 77 77 ILE HD13 H 1 0.259 0.025 . 1 . . . A 77 ILE MD . 19732 1 929 . 1 1 77 77 ILE C C 13 177.919 0.200 . 1 . . . A 77 ILE C . 19732 1 930 . 1 1 77 77 ILE CA C 13 60.494 0.200 . 1 . . . A 77 ILE CA . 19732 1 931 . 1 1 77 77 ILE CB C 13 34.722 0.200 . 1 . . . A 77 ILE CB . 19732 1 932 . 1 1 77 77 ILE CG1 C 13 25.661 0.200 . 1 . . . A 77 ILE CG1 . 19732 1 933 . 1 1 77 77 ILE CG2 C 13 19.951 0.200 . 1 . . . A 77 ILE CG2 . 19732 1 934 . 1 1 77 77 ILE CD1 C 13 9.154 0.200 . 1 . . . A 77 ILE CD1 . 19732 1 935 . 1 1 77 77 ILE N N 15 117.448 0.200 . 1 . . . A 77 ILE N . 19732 1 936 . 1 1 78 78 ASN H H 1 8.224 0.025 . 1 . . . A 78 ASN H . 19732 1 937 . 1 1 78 78 ASN HA H 1 4.218 0.025 . 1 . . . A 78 ASN HA . 19732 1 938 . 1 1 78 78 ASN HB2 H 1 2.867 0.025 . 2 . . . A 78 ASN HB2 . 19732 1 939 . 1 1 78 78 ASN HB3 H 1 2.867 0.025 . 2 . . . A 78 ASN HB3 . 19732 1 940 . 1 1 78 78 ASN HD21 H 1 6.707 0.025 . 2 . . . A 78 ASN HD21 . 19732 1 941 . 1 1 78 78 ASN HD22 H 1 8.015 0.025 . 2 . . . A 78 ASN HD22 . 19732 1 942 . 1 1 78 78 ASN C C 13 177.228 0.200 . 1 . . . A 78 ASN C . 19732 1 943 . 1 1 78 78 ASN CA C 13 57.791 0.200 . 1 . . . A 78 ASN CA . 19732 1 944 . 1 1 78 78 ASN CB C 13 39.304 0.200 . 1 . . . A 78 ASN CB . 19732 1 945 . 1 1 78 78 ASN N N 15 119.831 0.200 . 1 . . . A 78 ASN N . 19732 1 946 . 1 1 78 78 ASN ND2 N 15 112.408 0.200 . 1 . . . A 78 ASN ND2 . 19732 1 947 . 1 1 79 79 ASP H H 1 8.028 0.025 . 1 . . . A 79 ASP H . 19732 1 948 . 1 1 79 79 ASP HA H 1 4.489 0.025 . 1 . . . A 79 ASP HA . 19732 1 949 . 1 1 79 79 ASP HB2 H 1 2.974 0.025 . 2 . . . A 79 ASP HB2 . 19732 1 950 . 1 1 79 79 ASP HB3 H 1 2.632 0.025 . 2 . . . A 79 ASP HB3 . 19732 1 951 . 1 1 79 79 ASP C C 13 177.600 0.200 . 1 . . . A 79 ASP C . 19732 1 952 . 1 1 79 79 ASP CA C 13 57.575 0.200 . 1 . . . A 79 ASP CA . 19732 1 953 . 1 1 79 79 ASP CB C 13 39.917 0.200 . 1 . . . A 79 ASP CB . 19732 1 954 . 1 1 79 79 ASP N N 15 119.402 0.200 . 1 . . . A 79 ASP N . 19732 1 955 . 1 1 80 80 LEU H H 1 8.491 0.025 . 1 . . . A 80 LEU H . 19732 1 956 . 1 1 80 80 LEU HA H 1 3.488 0.025 . 1 . . . A 80 LEU HA . 19732 1 957 . 1 1 80 80 LEU HB2 H 1 1.726 0.025 . 2 . . . A 80 LEU HB2 . 19732 1 958 . 1 1 80 80 LEU HB3 H 1 1.086 0.025 . 2 . . . A 80 LEU HB3 . 19732 1 959 . 1 1 80 80 LEU HD11 H 1 0.529 0.025 . 2 . . . A 80 LEU MD1 . 19732 1 960 . 1 1 80 80 LEU HD12 H 1 0.529 0.025 . 2 . . . A 80 LEU MD1 . 19732 1 961 . 1 1 80 80 LEU HD13 H 1 0.529 0.025 . 2 . . . A 80 LEU MD1 . 19732 1 962 . 1 1 80 80 LEU HD21 H 1 0.417 0.025 . 2 . . . A 80 LEU MD2 . 19732 1 963 . 1 1 80 80 LEU HD22 H 1 0.417 0.025 . 2 . . . A 80 LEU MD2 . 19732 1 964 . 1 1 80 80 LEU HD23 H 1 0.417 0.025 . 2 . . . A 80 LEU MD2 . 19732 1 965 . 1 1 80 80 LEU C C 13 178.561 0.200 . 1 . . . A 80 LEU C . 19732 1 966 . 1 1 80 80 LEU CA C 13 59.332 0.200 . 1 . . . A 80 LEU CA . 19732 1 967 . 1 1 80 80 LEU CB C 13 42.380 0.200 . 1 . . . A 80 LEU CB . 19732 1 968 . 1 1 80 80 LEU CG C 13 26.209 0.200 . 1 . . . A 80 LEU CG . 19732 1 969 . 1 1 80 80 LEU CD1 C 13 26.379 0.200 . 2 . . . A 80 LEU CD1 . 19732 1 970 . 1 1 80 80 LEU CD2 C 13 27.715 0.200 . 2 . . . A 80 LEU CD2 . 19732 1 971 . 1 1 80 80 LEU N N 15 122.293 0.200 . 1 . . . A 80 LEU N . 19732 1 972 . 1 1 81 81 CYS H H 1 8.169 0.025 . 1 . . . A 81 CYS H . 19732 1 973 . 1 1 81 81 CYS HA H 1 3.931 0.025 . 1 . . . A 81 CYS HA . 19732 1 974 . 1 1 81 81 CYS HB2 H 1 2.841 0.025 . 2 . . . A 81 CYS HB2 . 19732 1 975 . 1 1 81 81 CYS HB3 H 1 2.666 0.025 . 2 . . . A 81 CYS HB3 . 19732 1 976 . 1 1 81 81 CYS C C 13 176.754 0.200 . 1 . . . A 81 CYS C . 19732 1 977 . 1 1 81 81 CYS CA C 13 63.543 0.200 . 1 . . . A 81 CYS CA . 19732 1 978 . 1 1 81 81 CYS CB C 13 26.657 0.200 . 1 . . . A 81 CYS CB . 19732 1 979 . 1 1 81 81 CYS N N 15 114.479 0.200 . 1 . . . A 81 CYS N . 19732 1 980 . 1 1 82 82 PHE H H 1 7.863 0.025 . 1 . . . A 82 PHE H . 19732 1 981 . 1 1 82 82 PHE HA H 1 4.322 0.025 . 1 . . . A 82 PHE HA . 19732 1 982 . 1 1 82 82 PHE HB2 H 1 3.224 0.025 . 2 . . . A 82 PHE HB2 . 19732 1 983 . 1 1 82 82 PHE HB3 H 1 3.073 0.025 . 2 . . . A 82 PHE HB3 . 19732 1 984 . 1 1 82 82 PHE HD1 H 1 7.336 0.025 . 3 . . . A 82 PHE HD1 . 19732 1 985 . 1 1 82 82 PHE HD2 H 1 7.336 0.025 . 3 . . . A 82 PHE HD2 . 19732 1 986 . 1 1 82 82 PHE C C 13 178.485 0.200 . 1 . . . A 82 PHE C . 19732 1 987 . 1 1 82 82 PHE CA C 13 60.876 0.200 . 1 . . . A 82 PHE CA . 19732 1 988 . 1 1 82 82 PHE CB C 13 39.831 0.200 . 1 . . . A 82 PHE CB . 19732 1 989 . 1 1 82 82 PHE CD2 C 13 131.589 0.200 . 3 . . . A 82 PHE CD2 . 19732 1 990 . 1 1 82 82 PHE N N 15 115.964 0.200 . 1 . . . A 82 PHE N . 19732 1 991 . 1 1 83 83 GLU H H 1 9.049 0.025 . 1 . . . A 83 GLU H . 19732 1 992 . 1 1 83 83 GLU HA H 1 4.045 0.025 . 1 . . . A 83 GLU HA . 19732 1 993 . 1 1 83 83 GLU HB2 H 1 2.136 0.025 . 2 . . . A 83 GLU HB2 . 19732 1 994 . 1 1 83 83 GLU HB3 H 1 2.136 0.025 . 2 . . . A 83 GLU HB3 . 19732 1 995 . 1 1 83 83 GLU HG2 H 1 2.832 0.025 . 2 . . . A 83 GLU HG2 . 19732 1 996 . 1 1 83 83 GLU HG3 H 1 2.346 0.025 . 2 . . . A 83 GLU HG3 . 19732 1 997 . 1 1 83 83 GLU C C 13 177.877 0.200 . 1 . . . A 83 GLU C . 19732 1 998 . 1 1 83 83 GLU CA C 13 58.745 0.200 . 1 . . . A 83 GLU CA . 19732 1 999 . 1 1 83 83 GLU CB C 13 30.278 0.200 . 1 . . . A 83 GLU CB . 19732 1 1000 . 1 1 83 83 GLU CG C 13 37.696 0.200 . 1 . . . A 83 GLU CG . 19732 1 1001 . 1 1 83 83 GLU N N 15 116.314 0.200 . 1 . . . A 83 GLU N . 19732 1 1002 . 1 1 84 84 LEU H H 1 7.713 0.025 . 1 . . . A 84 LEU H . 19732 1 1003 . 1 1 84 84 LEU HA H 1 4.237 0.025 . 1 . . . A 84 LEU HA . 19732 1 1004 . 1 1 84 84 LEU HB2 H 1 1.397 0.025 . 2 . . . A 84 LEU HB2 . 19732 1 1005 . 1 1 84 84 LEU HB3 H 1 1.089 0.025 . 2 . . . A 84 LEU HB3 . 19732 1 1006 . 1 1 84 84 LEU HG H 1 0.258 0.025 . 1 . . . A 84 LEU HG . 19732 1 1007 . 1 1 84 84 LEU HD11 H 1 -0.343 0.025 . 2 . . . A 84 LEU MD1 . 19732 1 1008 . 1 1 84 84 LEU HD12 H 1 -0.343 0.025 . 2 . . . A 84 LEU MD1 . 19732 1 1009 . 1 1 84 84 LEU HD13 H 1 -0.343 0.025 . 2 . . . A 84 LEU MD1 . 19732 1 1010 . 1 1 84 84 LEU HD21 H 1 -0.168 0.025 . 2 . . . A 84 LEU MD2 . 19732 1 1011 . 1 1 84 84 LEU HD22 H 1 -0.168 0.025 . 2 . . . A 84 LEU MD2 . 19732 1 1012 . 1 1 84 84 LEU HD23 H 1 -0.168 0.025 . 2 . . . A 84 LEU MD2 . 19732 1 1013 . 1 1 84 84 LEU C C 13 175.868 0.200 . 1 . . . A 84 LEU C . 19732 1 1014 . 1 1 84 84 LEU CA C 13 53.657 0.200 . 1 . . . A 84 LEU CA . 19732 1 1015 . 1 1 84 84 LEU CB C 13 40.104 0.200 . 1 . . . A 84 LEU CB . 19732 1 1016 . 1 1 84 84 LEU CG C 13 26.449 0.200 . 1 . . . A 84 LEU CG . 19732 1 1017 . 1 1 84 84 LEU CD1 C 13 24.399 0.200 . 2 . . . A 84 LEU CD1 . 19732 1 1018 . 1 1 84 84 LEU CD2 C 13 21.047 0.200 . 2 . . . A 84 LEU CD2 . 19732 1 1019 . 1 1 84 84 LEU N N 15 116.042 0.200 . 1 . . . A 84 LEU N . 19732 1 1020 . 1 1 85 85 ASP H H 1 7.164 0.025 . 1 . . . A 85 ASP H . 19732 1 1021 . 1 1 85 85 ASP HA H 1 4.250 0.025 . 1 . . . A 85 ASP HA . 19732 1 1022 . 1 1 85 85 ASP HB2 H 1 2.261 0.025 . 2 . . . A 85 ASP HB2 . 19732 1 1023 . 1 1 85 85 ASP HB3 H 1 2.261 0.025 . 2 . . . A 85 ASP HB3 . 19732 1 1024 . 1 1 85 85 ASP C C 13 174.424 0.200 . 1 . . . A 85 ASP C . 19732 1 1025 . 1 1 85 85 ASP CA C 13 54.685 0.200 . 1 . . . A 85 ASP CA . 19732 1 1026 . 1 1 85 85 ASP CB C 13 38.821 0.200 . 1 . . . A 85 ASP CB . 19732 1 1027 . 1 1 85 85 ASP N N 15 116.940 0.200 . 1 . . . A 85 ASP N . 19732 1 1028 . 1 1 87 87 PRO HA H 1 4.406 0.025 . 1 . . . A 87 PRO HA . 19732 1 1029 . 1 1 87 87 PRO HB2 H 1 2.240 0.025 . 2 . . . A 87 PRO HB2 . 19732 1 1030 . 1 1 87 87 PRO HB3 H 1 1.889 0.025 . 2 . . . A 87 PRO HB3 . 19732 1 1031 . 1 1 87 87 PRO HG2 H 1 1.937 0.025 . 2 . . . A 87 PRO HG2 . 19732 1 1032 . 1 1 87 87 PRO HG3 H 1 1.937 0.025 . 2 . . . A 87 PRO HG3 . 19732 1 1033 . 1 1 87 87 PRO HD2 H 1 3.509 0.025 . 2 . . . A 87 PRO HD2 . 19732 1 1034 . 1 1 87 87 PRO HD3 H 1 3.342 0.025 . 2 . . . A 87 PRO HD3 . 19732 1 1035 . 1 1 87 87 PRO C C 13 177.572 0.200 . 1 . . . A 87 PRO C . 19732 1 1036 . 1 1 87 87 PRO CA C 13 63.159 0.200 . 1 . . . A 87 PRO CA . 19732 1 1037 . 1 1 87 87 PRO CB C 13 32.260 0.200 . 1 . . . A 87 PRO CB . 19732 1 1038 . 1 1 87 87 PRO CG C 13 26.939 0.200 . 1 . . . A 87 PRO CG . 19732 1 1039 . 1 1 87 87 PRO CD C 13 49.584 0.200 . 1 . . . A 87 PRO CD . 19732 1 1040 . 1 1 88 88 LEU H H 1 8.271 0.025 . 1 . . . A 88 LEU H . 19732 1 1041 . 1 1 88 88 LEU HA H 1 3.931 0.025 . 1 . . . A 88 LEU HA . 19732 1 1042 . 1 1 88 88 LEU HB2 H 1 1.570 0.025 . 2 . . . A 88 LEU HB2 . 19732 1 1043 . 1 1 88 88 LEU HB3 H 1 1.570 0.025 . 2 . . . A 88 LEU HB3 . 19732 1 1044 . 1 1 88 88 LEU HG H 1 1.676 0.025 . 1 . . . A 88 LEU HG . 19732 1 1045 . 1 1 88 88 LEU HD11 H 1 0.753 0.025 . 2 . . . A 88 LEU MD1 . 19732 1 1046 . 1 1 88 88 LEU HD12 H 1 0.753 0.025 . 2 . . . A 88 LEU MD1 . 19732 1 1047 . 1 1 88 88 LEU HD13 H 1 0.753 0.025 . 2 . . . A 88 LEU MD1 . 19732 1 1048 . 1 1 88 88 LEU HD21 H 1 0.859 0.025 . 2 . . . A 88 LEU MD2 . 19732 1 1049 . 1 1 88 88 LEU HD22 H 1 0.859 0.025 . 2 . . . A 88 LEU MD2 . 19732 1 1050 . 1 1 88 88 LEU HD23 H 1 0.859 0.025 . 2 . . . A 88 LEU MD2 . 19732 1 1051 . 1 1 88 88 LEU C C 13 179.214 0.200 . 1 . . . A 88 LEU C . 19732 1 1052 . 1 1 88 88 LEU CA C 13 57.281 0.200 . 1 . . . A 88 LEU CA . 19732 1 1053 . 1 1 88 88 LEU CB C 13 41.080 0.200 . 1 . . . A 88 LEU CB . 19732 1 1054 . 1 1 88 88 LEU CG C 13 27.198 0.200 . 1 . . . A 88 LEU CG . 19732 1 1055 . 1 1 88 88 LEU CD1 C 13 23.096 0.200 . 2 . . . A 88 LEU CD1 . 19732 1 1056 . 1 1 88 88 LEU CD2 C 13 24.740 0.200 . 2 . . . A 88 LEU CD2 . 19732 1 1057 . 1 1 88 88 LEU N N 15 122.410 0.200 . 1 . . . A 88 LEU N . 19732 1 1058 . 1 1 91 91 GLU H H 1 7.775 0.025 . 1 . . . A 91 GLU H . 19732 1 1059 . 1 1 91 91 GLU HA H 1 3.537 0.025 . 1 . . . A 91 GLU HA . 19732 1 1060 . 1 1 91 91 GLU HB2 H 1 2.085 0.025 . 2 . . . A 91 GLU HB2 . 19732 1 1061 . 1 1 91 91 GLU HB3 H 1 2.085 0.025 . 2 . . . A 91 GLU HB3 . 19732 1 1062 . 1 1 91 91 GLU HG2 H 1 2.057 0.025 . 2 . . . A 91 GLU HG2 . 19732 1 1063 . 1 1 91 91 GLU HG3 H 1 2.057 0.025 . 2 . . . A 91 GLU HG3 . 19732 1 1064 . 1 1 91 91 GLU C C 13 176.926 0.200 . 1 . . . A 91 GLU C . 19732 1 1065 . 1 1 91 91 GLU CA C 13 61.079 0.200 . 1 . . . A 91 GLU CA . 19732 1 1066 . 1 1 91 91 GLU CB C 13 29.485 0.200 . 1 . . . A 91 GLU CB . 19732 1 1067 . 1 1 91 91 GLU CG C 13 35.516 0.200 . 1 . . . A 91 GLU CG . 19732 1 1068 . 1 1 91 91 GLU N N 15 121.224 0.200 . 1 . . . A 91 GLU N . 19732 1 1069 . 1 1 92 92 ILE H H 1 8.259 0.025 . 1 . . . A 92 ILE H . 19732 1 1070 . 1 1 92 92 ILE HA H 1 3.910 0.025 . 1 . . . A 92 ILE HA . 19732 1 1071 . 1 1 92 92 ILE HB H 1 1.999 0.025 . 1 . . . A 92 ILE HB . 19732 1 1072 . 1 1 92 92 ILE HG12 H 1 1.583 0.025 . 2 . . . A 92 ILE HG12 . 19732 1 1073 . 1 1 92 92 ILE HG13 H 1 1.204 0.025 . 2 . . . A 92 ILE HG13 . 19732 1 1074 . 1 1 92 92 ILE HG21 H 1 0.817 0.025 . 1 . . . A 92 ILE MG . 19732 1 1075 . 1 1 92 92 ILE HG22 H 1 0.817 0.025 . 1 . . . A 92 ILE MG . 19732 1 1076 . 1 1 92 92 ILE HG23 H 1 0.817 0.025 . 1 . . . A 92 ILE MG . 19732 1 1077 . 1 1 92 92 ILE HD11 H 1 0.801 0.025 . 1 . . . A 92 ILE MD . 19732 1 1078 . 1 1 92 92 ILE HD12 H 1 0.801 0.025 . 1 . . . A 92 ILE MD . 19732 1 1079 . 1 1 92 92 ILE HD13 H 1 0.801 0.025 . 1 . . . A 92 ILE MD . 19732 1 1080 . 1 1 92 92 ILE C C 13 177.704 0.200 . 1 . . . A 92 ILE C . 19732 1 1081 . 1 1 92 92 ILE CA C 13 66.030 0.200 . 1 . . . A 92 ILE CA . 19732 1 1082 . 1 1 92 92 ILE CB C 13 34.451 0.200 . 1 . . . A 92 ILE CB . 19732 1 1083 . 1 1 92 92 ILE CG1 C 13 29.389 0.200 . 1 . . . A 92 ILE CG1 . 19732 1 1084 . 1 1 92 92 ILE CG2 C 13 17.083 0.200 . 1 . . . A 92 ILE CG2 . 19732 1 1085 . 1 1 92 92 ILE CD1 C 13 11.750 0.200 . 1 . . . A 92 ILE CD1 . 19732 1 1086 . 1 1 92 92 ILE N N 15 115.836 0.200 . 1 . . . A 92 ILE N . 19732 1 1087 . 1 1 93 93 PRO HA H 1 4.117 0.025 . 1 . . . A 93 PRO HA . 19732 1 1088 . 1 1 93 93 PRO HB2 H 1 2.182 0.025 . 2 . . . A 93 PRO HB2 . 19732 1 1089 . 1 1 93 93 PRO HB3 H 1 1.593 0.025 . 2 . . . A 93 PRO HB3 . 19732 1 1090 . 1 1 93 93 PRO HG2 H 1 2.030 0.025 . 2 . . . A 93 PRO HG2 . 19732 1 1091 . 1 1 93 93 PRO HG3 H 1 1.855 0.025 . 2 . . . A 93 PRO HG3 . 19732 1 1092 . 1 1 93 93 PRO HD2 H 1 3.554 0.025 . 2 . . . A 93 PRO HD2 . 19732 1 1093 . 1 1 93 93 PRO HD3 H 1 3.438 0.025 . 2 . . . A 93 PRO HD3 . 19732 1 1094 . 1 1 93 93 PRO C C 13 178.653 0.200 . 1 . . . A 93 PRO C . 19732 1 1095 . 1 1 93 93 PRO CA C 13 66.003 0.200 . 1 . . . A 93 PRO CA . 19732 1 1096 . 1 1 93 93 PRO CB C 13 31.136 0.200 . 1 . . . A 93 PRO CB . 19732 1 1097 . 1 1 93 93 PRO CG C 13 27.705 0.200 . 1 . . . A 93 PRO CG . 19732 1 1098 . 1 1 93 93 PRO CD C 13 49.177 0.200 . 1 . . . A 93 PRO CD . 19732 1 1099 . 1 1 94 94 LEU H H 1 7.657 0.025 . 1 . . . A 94 LEU H . 19732 1 1100 . 1 1 94 94 LEU HA H 1 4.126 0.025 . 1 . . . A 94 LEU HA . 19732 1 1101 . 1 1 94 94 LEU HB2 H 1 2.122 0.025 . 2 . . . A 94 LEU HB2 . 19732 1 1102 . 1 1 94 94 LEU HB3 H 1 1.288 0.025 . 2 . . . A 94 LEU HB3 . 19732 1 1103 . 1 1 94 94 LEU HG H 1 0.757 0.025 . 1 . . . A 94 LEU HG . 19732 1 1104 . 1 1 94 94 LEU HD11 H 1 0.957 0.025 . 2 . . . A 94 LEU MD1 . 19732 1 1105 . 1 1 94 94 LEU HD12 H 1 0.957 0.025 . 2 . . . A 94 LEU MD1 . 19732 1 1106 . 1 1 94 94 LEU HD13 H 1 0.957 0.025 . 2 . . . A 94 LEU MD1 . 19732 1 1107 . 1 1 94 94 LEU C C 13 180.119 0.200 . 1 . . . A 94 LEU C . 19732 1 1108 . 1 1 94 94 LEU CA C 13 57.785 0.200 . 1 . . . A 94 LEU CA . 19732 1 1109 . 1 1 94 94 LEU CB C 13 42.760 0.200 . 1 . . . A 94 LEU CB . 19732 1 1110 . 1 1 94 94 LEU CG C 13 25.971 0.200 . 1 . . . A 94 LEU CG . 19732 1 1111 . 1 1 94 94 LEU CD1 C 13 23.622 0.200 . 2 . . . A 94 LEU CD1 . 19732 1 1112 . 1 1 94 94 LEU N N 15 114.952 0.200 . 1 . . . A 94 LEU N . 19732 1 1113 . 1 1 95 95 VAL H H 1 8.873 0.025 . 1 . . . A 95 VAL H . 19732 1 1114 . 1 1 95 95 VAL HA H 1 4.008 0.025 . 1 . . . A 95 VAL HA . 19732 1 1115 . 1 1 95 95 VAL HB H 1 2.386 0.025 . 1 . . . A 95 VAL HB . 19732 1 1116 . 1 1 95 95 VAL HG11 H 1 1.147 0.025 . 2 . . . A 95 VAL MG1 . 19732 1 1117 . 1 1 95 95 VAL HG12 H 1 1.147 0.025 . 2 . . . A 95 VAL MG1 . 19732 1 1118 . 1 1 95 95 VAL HG13 H 1 1.147 0.025 . 2 . . . A 95 VAL MG1 . 19732 1 1119 . 1 1 95 95 VAL HG21 H 1 1.108 0.025 . 2 . . . A 95 VAL MG2 . 19732 1 1120 . 1 1 95 95 VAL HG22 H 1 1.108 0.025 . 2 . . . A 95 VAL MG2 . 19732 1 1121 . 1 1 95 95 VAL HG23 H 1 1.108 0.025 . 2 . . . A 95 VAL MG2 . 19732 1 1122 . 1 1 95 95 VAL C C 13 177.559 0.200 . 1 . . . A 95 VAL C . 19732 1 1123 . 1 1 95 95 VAL CA C 13 66.666 0.200 . 1 . . . A 95 VAL CA . 19732 1 1124 . 1 1 95 95 VAL CB C 13 31.714 0.200 . 1 . . . A 95 VAL CB . 19732 1 1125 . 1 1 95 95 VAL CG1 C 13 24.125 0.200 . 2 . . . A 95 VAL CG1 . 19732 1 1126 . 1 1 95 95 VAL CG2 C 13 22.278 0.200 . 2 . . . A 95 VAL CG2 . 19732 1 1127 . 1 1 95 95 VAL N N 15 119.986 0.200 . 1 . . . A 95 VAL N . 19732 1 1128 . 1 1 96 96 SER H H 1 7.823 0.025 . 1 . . . A 96 SER H . 19732 1 1129 . 1 1 96 96 SER HA H 1 4.598 0.025 . 1 . . . A 96 SER HA . 19732 1 1130 . 1 1 96 96 SER HB2 H 1 3.994 0.025 . 2 . . . A 96 SER HB2 . 19732 1 1131 . 1 1 96 96 SER HB3 H 1 3.954 0.025 . 2 . . . A 96 SER HB3 . 19732 1 1132 . 1 1 96 96 SER C C 13 175.113 0.200 . 1 . . . A 96 SER C . 19732 1 1133 . 1 1 96 96 SER CA C 13 59.163 0.200 . 1 . . . A 96 SER CA . 19732 1 1134 . 1 1 96 96 SER CB C 13 63.552 0.200 . 1 . . . A 96 SER CB . 19732 1 1135 . 1 1 96 96 SER N N 15 111.863 0.200 . 1 . . . A 96 SER N . 19732 1 1136 . 1 1 97 97 ILE H H 1 7.014 0.025 . 1 . . . A 97 ILE H . 19732 1 1137 . 1 1 97 97 ILE HA H 1 3.819 0.025 . 1 . . . A 97 ILE HA . 19732 1 1138 . 1 1 97 97 ILE HB H 1 1.925 0.025 . 1 . . . A 97 ILE HB . 19732 1 1139 . 1 1 97 97 ILE HG12 H 1 1.288 0.025 . 2 . . . A 97 ILE HG12 . 19732 1 1140 . 1 1 97 97 ILE HG13 H 1 0.946 0.025 . 2 . . . A 97 ILE HG13 . 19732 1 1141 . 1 1 97 97 ILE HG21 H 1 0.476 0.025 . 1 . . . A 97 ILE MG . 19732 1 1142 . 1 1 97 97 ILE HG22 H 1 0.476 0.025 . 1 . . . A 97 ILE MG . 19732 1 1143 . 1 1 97 97 ILE HG23 H 1 0.476 0.025 . 1 . . . A 97 ILE MG . 19732 1 1144 . 1 1 97 97 ILE HD11 H 1 0.372 0.025 . 1 . . . A 97 ILE MD . 19732 1 1145 . 1 1 97 97 ILE HD12 H 1 0.372 0.025 . 1 . . . A 97 ILE MD . 19732 1 1146 . 1 1 97 97 ILE HD13 H 1 0.372 0.025 . 1 . . . A 97 ILE MD . 19732 1 1147 . 1 1 97 97 ILE C C 13 174.601 0.200 . 1 . . . A 97 ILE C . 19732 1 1148 . 1 1 97 97 ILE CA C 13 63.804 0.200 . 1 . . . A 97 ILE CA . 19732 1 1149 . 1 1 97 97 ILE CB C 13 39.059 0.200 . 1 . . . A 97 ILE CB . 19732 1 1150 . 1 1 97 97 ILE CG1 C 13 28.252 0.200 . 1 . . . A 97 ILE CG1 . 19732 1 1151 . 1 1 97 97 ILE CG2 C 13 17.015 0.200 . 1 . . . A 97 ILE CG2 . 19732 1 1152 . 1 1 97 97 ILE CD1 C 13 14.008 0.200 . 1 . . . A 97 ILE CD1 . 19732 1 1153 . 1 1 97 97 ILE N N 15 120.300 0.200 . 1 . . . A 97 ILE N . 19732 1 1154 . 1 1 98 98 TRP H H 1 7.651 0.025 . 1 . . . A 98 TRP H . 19732 1 1155 . 1 1 98 98 TRP HA H 1 4.062 0.025 . 1 . . . A 98 TRP HA . 19732 1 1156 . 1 1 98 98 TRP HB2 H 1 2.857 0.025 . 2 . . . A 98 TRP HB2 . 19732 1 1157 . 1 1 98 98 TRP HB3 H 1 2.585 0.025 . 2 . . . A 98 TRP HB3 . 19732 1 1158 . 1 1 98 98 TRP HD1 H 1 5.871 0.025 . 1 . . . A 98 TRP HD1 . 19732 1 1159 . 1 1 98 98 TRP HE1 H 1 10.001 0.025 . 1 . . . A 98 TRP HE1 . 19732 1 1160 . 1 1 98 98 TRP HE3 H 1 7.161 0.025 . 1 . . . A 98 TRP HE3 . 19732 1 1161 . 1 1 98 98 TRP HZ2 H 1 7.458 0.025 . 1 . . . A 98 TRP HZ2 . 19732 1 1162 . 1 1 98 98 TRP HH2 H 1 7.180 0.025 . 1 . . . A 98 TRP HH2 . 19732 1 1163 . 1 1 98 98 TRP C C 13 176.502 0.200 . 1 . . . A 98 TRP C . 19732 1 1164 . 1 1 98 98 TRP CA C 13 57.790 0.200 . 1 . . . A 98 TRP CA . 19732 1 1165 . 1 1 98 98 TRP CB C 13 28.963 0.200 . 1 . . . A 98 TRP CB . 19732 1 1166 . 1 1 98 98 TRP CD1 C 13 126.782 0.200 . 1 . . . A 98 TRP CD1 . 19732 1 1167 . 1 1 98 98 TRP CE3 C 13 120.579 0.200 . 1 . . . A 98 TRP CE3 . 19732 1 1168 . 1 1 98 98 TRP CZ2 C 13 114.648 0.200 . 1 . . . A 98 TRP CZ2 . 19732 1 1169 . 1 1 98 98 TRP CH2 C 13 124.729 0.200 . 1 . . . A 98 TRP CH2 . 19732 1 1170 . 1 1 98 98 TRP N N 15 120.222 0.200 . 1 . . . A 98 TRP N . 19732 1 1171 . 1 1 98 98 TRP NE1 N 15 128.855 0.200 . 1 . . . A 98 TRP NE1 . 19732 1 1172 . 1 1 99 99 GLY H H 1 7.240 0.025 . 1 . . . A 99 GLY H . 19732 1 1173 . 1 1 99 99 GLY HA2 H 1 3.882 0.025 . 2 . . . A 99 GLY HA2 . 19732 1 1174 . 1 1 99 99 GLY HA3 H 1 3.739 0.025 . 2 . . . A 99 GLY HA3 . 19732 1 1175 . 1 1 99 99 GLY C C 13 170.846 0.200 . 1 . . . A 99 GLY C . 19732 1 1176 . 1 1 99 99 GLY CA C 13 44.637 0.200 . 1 . . . A 99 GLY CA . 19732 1 1177 . 1 1 99 99 GLY N N 15 109.003 0.200 . 1 . . . A 99 GLY N . 19732 1 1178 . 1 1 100 100 PRO HA H 1 4.299 0.025 . 1 . . . A 100 PRO HA . 19732 1 1179 . 1 1 100 100 PRO HB2 H 1 2.324 0.025 . 2 . . . A 100 PRO HB2 . 19732 1 1180 . 1 1 100 100 PRO HB3 H 1 2.084 0.025 . 2 . . . A 100 PRO HB3 . 19732 1 1181 . 1 1 100 100 PRO HG2 H 1 1.942 0.025 . 2 . . . A 100 PRO HG2 . 19732 1 1182 . 1 1 100 100 PRO HG3 H 1 1.544 0.025 . 2 . . . A 100 PRO HG3 . 19732 1 1183 . 1 1 100 100 PRO HD2 H 1 3.517 0.025 . 2 . . . A 100 PRO HD2 . 19732 1 1184 . 1 1 100 100 PRO HD3 H 1 3.517 0.025 . 2 . . . A 100 PRO HD3 . 19732 1 1185 . 1 1 100 100 PRO C C 13 176.200 0.200 . 1 . . . A 100 PRO C . 19732 1 1186 . 1 1 100 100 PRO CA C 13 63.004 0.200 . 1 . . . A 100 PRO CA . 19732 1 1187 . 1 1 100 100 PRO CB C 13 31.808 0.200 . 1 . . . A 100 PRO CB . 19732 1 1188 . 1 1 100 100 PRO CG C 13 27.024 0.200 . 1 . . . A 100 PRO CG . 19732 1 1189 . 1 1 100 100 PRO CD C 13 49.594 0.200 . 1 . . . A 100 PRO CD . 19732 1 1190 . 1 1 101 101 ARG H H 1 7.815 0.025 . 1 . . . A 101 ARG H . 19732 1 1191 . 1 1 101 101 ARG HA H 1 4.117 0.025 . 1 . . . A 101 ARG HA . 19732 1 1192 . 1 1 101 101 ARG HB2 H 1 1.789 0.025 . 2 . . . A 101 ARG HB2 . 19732 1 1193 . 1 1 101 101 ARG HB3 H 1 1.622 0.025 . 2 . . . A 101 ARG HB3 . 19732 1 1194 . 1 1 101 101 ARG HG2 H 1 1.540 0.025 . 2 . . . A 101 ARG HG2 . 19732 1 1195 . 1 1 101 101 ARG HG3 H 1 1.540 0.025 . 2 . . . A 101 ARG HG3 . 19732 1 1196 . 1 1 101 101 ARG HD2 H 1 3.060 0.025 . 2 . . . A 101 ARG HD2 . 19732 1 1197 . 1 1 101 101 ARG HD3 H 1 3.060 0.025 . 2 . . . A 101 ARG HD3 . 19732 1 1198 . 1 1 101 101 ARG CA C 13 57.107 0.200 . 1 . . . A 101 ARG CA . 19732 1 1199 . 1 1 101 101 ARG CB C 13 31.846 0.200 . 1 . . . A 101 ARG CB . 19732 1 1200 . 1 1 101 101 ARG CG C 13 27.024 0.200 . 1 . . . A 101 ARG CG . 19732 1 1201 . 1 1 101 101 ARG CD C 13 43.335 0.200 . 1 . . . A 101 ARG CD . 19732 1 1202 . 1 1 101 101 ARG N N 15 126.043 0.200 . 1 . . . A 101 ARG N . 19732 1 stop_ save_