data_18587 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18587 _Entry.Title ; MHV nsp3a ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-07-10 _Entry.Accession_date 2012-07-10 _Entry.Last_release_date 2013-02-28 _Entry.Original_release_date 2013-02-28 _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 'Backbone and side chain resonance assignments' _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 Sarah Keane . C. . 18587 2 David Giedroc . P. . 18587 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Giedroc Group, Indiana University' . 18587 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18587 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 407 18587 '15N chemical shifts' 107 18587 '1H chemical shifts' 732 18587 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 . . 2013-02-28 2012-07-10 original author . 18587 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2M0A 'BMRB Entry Tracking System' 18587 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18587 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23302895 _Citation.Full_citation . _Citation.Title 'Solution Structure of Mouse Hepatitis Virus (MHV) nsp3a and Determinants of the Interaction with MHV Nucleocapsid (N) Protein.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Virol.' _Citation.Journal_name_full 'Journal of virology' _Citation.Journal_volume 87 _Citation.Journal_issue 6 _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 3502 _Citation.Page_last 3515 _Citation.Year 2013 _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 Sarah Keane . C. . 18587 1 2 David Giedroc . P. . 18587 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18587 _Assembly.ID 1 _Assembly.Name 'MHV nsp3a momoner' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 nsp3a 1 $MHV_nsp3a A . yes native no no . . . 18587 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MHV_nsp3a _Entity.Sf_category entity _Entity.Sf_framecode MHV_nsp3a _Entity.Entry_ID 18587 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name MHV_nsp3a _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GKKVEFNDKPKVRKIPSTRK IKITFALDATFDSVLSKACS EFEVDKDVTLDELLDVVLDA VESTLSPCKEHDVIGTKVCA LLDRLAGDYVYLFDEGGDEV IAPRMYCSFSAPDD ; _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 114 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2M0A . "Solution Structure Of Mhv Nsp3a" . . . . . 100.00 114 100.00 100.00 1.12e-73 . . . . 18587 1 2 no GB AAB86820 . "RNA-directed RNA polymerase [Murine hepatitis virus]" . . . . . 100.00 4470 100.00 100.00 7.45e-67 . . . . 18587 1 3 no GB AAF69341 . "RNA-directed RNA polymerase [Murine hepatitis virus]" . . . . . 100.00 4467 100.00 100.00 6.90e-67 . . . . 18587 1 4 no GB AAU06352 . "replicative polyprotein 1a [Murine hepatitis virus]" . . . . . 100.00 4470 100.00 100.00 7.45e-67 . . . . 18587 1 5 no GB AAU06353 . "replicative polyprotein 1ab [Murine hepatitis virus]" . . . . . 100.00 7178 100.00 100.00 8.13e-67 . . . . 18587 1 6 no GB AAX23975 . "ORF1ab polyprotein [synthetic construct]" . . . . . 100.00 7178 100.00 100.00 8.13e-67 . . . . 18587 1 7 no REF NP_045298 . "ORF1a polyprotein [Murine hepatitis virus strain A59]" . . . . . 100.00 4470 100.00 100.00 7.45e-67 . . . . 18587 1 8 no REF NP_068668 . "ORF1ab polyprotein [Murine hepatitis virus strain A59]" . . . . . 100.00 7178 100.00 100.00 7.82e-67 . . . . 18587 1 9 no REF NP_740609 . "nsp3 [Murine hepatitis virus strain A59]" . . . . . 100.00 2005 100.00 100.00 8.81e-67 . . . . 18587 1 10 no SP P0C6V0 . "RecName: Full=Replicase polyprotein 1a; Short=pp1a; AltName: Full=ORF1a polyprotein; Contains: RecName: Full=Non-structural pro" . . . . . 100.00 4468 100.00 100.00 7.45e-67 . . . . 18587 1 11 no SP P0C6X9 . "RecName: Full=Replicase polyprotein 1ab; Short=pp1ab; AltName: Full=ORF1ab polyprotein; Contains: RecName: Full=Host translatio" . . . . . 100.00 7176 100.00 100.00 8.37e-67 . . . . 18587 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 . 18587 1 2 2 LYS . 18587 1 3 3 LYS . 18587 1 4 4 VAL . 18587 1 5 5 GLU . 18587 1 6 6 PHE . 18587 1 7 7 ASN . 18587 1 8 8 ASP . 18587 1 9 9 LYS . 18587 1 10 10 PRO . 18587 1 11 11 LYS . 18587 1 12 12 VAL . 18587 1 13 13 ARG . 18587 1 14 14 LYS . 18587 1 15 15 ILE . 18587 1 16 16 PRO . 18587 1 17 17 SER . 18587 1 18 18 THR . 18587 1 19 19 ARG . 18587 1 20 20 LYS . 18587 1 21 21 ILE . 18587 1 22 22 LYS . 18587 1 23 23 ILE . 18587 1 24 24 THR . 18587 1 25 25 PHE . 18587 1 26 26 ALA . 18587 1 27 27 LEU . 18587 1 28 28 ASP . 18587 1 29 29 ALA . 18587 1 30 30 THR . 18587 1 31 31 PHE . 18587 1 32 32 ASP . 18587 1 33 33 SER . 18587 1 34 34 VAL . 18587 1 35 35 LEU . 18587 1 36 36 SER . 18587 1 37 37 LYS . 18587 1 38 38 ALA . 18587 1 39 39 CYS . 18587 1 40 40 SER . 18587 1 41 41 GLU . 18587 1 42 42 PHE . 18587 1 43 43 GLU . 18587 1 44 44 VAL . 18587 1 45 45 ASP . 18587 1 46 46 LYS . 18587 1 47 47 ASP . 18587 1 48 48 VAL . 18587 1 49 49 THR . 18587 1 50 50 LEU . 18587 1 51 51 ASP . 18587 1 52 52 GLU . 18587 1 53 53 LEU . 18587 1 54 54 LEU . 18587 1 55 55 ASP . 18587 1 56 56 VAL . 18587 1 57 57 VAL . 18587 1 58 58 LEU . 18587 1 59 59 ASP . 18587 1 60 60 ALA . 18587 1 61 61 VAL . 18587 1 62 62 GLU . 18587 1 63 63 SER . 18587 1 64 64 THR . 18587 1 65 65 LEU . 18587 1 66 66 SER . 18587 1 67 67 PRO . 18587 1 68 68 CYS . 18587 1 69 69 LYS . 18587 1 70 70 GLU . 18587 1 71 71 HIS . 18587 1 72 72 ASP . 18587 1 73 73 VAL . 18587 1 74 74 ILE . 18587 1 75 75 GLY . 18587 1 76 76 THR . 18587 1 77 77 LYS . 18587 1 78 78 VAL . 18587 1 79 79 CYS . 18587 1 80 80 ALA . 18587 1 81 81 LEU . 18587 1 82 82 LEU . 18587 1 83 83 ASP . 18587 1 84 84 ARG . 18587 1 85 85 LEU . 18587 1 86 86 ALA . 18587 1 87 87 GLY . 18587 1 88 88 ASP . 18587 1 89 89 TYR . 18587 1 90 90 VAL . 18587 1 91 91 TYR . 18587 1 92 92 LEU . 18587 1 93 93 PHE . 18587 1 94 94 ASP . 18587 1 95 95 GLU . 18587 1 96 96 GLY . 18587 1 97 97 GLY . 18587 1 98 98 ASP . 18587 1 99 99 GLU . 18587 1 100 100 VAL . 18587 1 101 101 ILE . 18587 1 102 102 ALA . 18587 1 103 103 PRO . 18587 1 104 104 ARG . 18587 1 105 105 MET . 18587 1 106 106 TYR . 18587 1 107 107 CYS . 18587 1 108 108 SER . 18587 1 109 109 PHE . 18587 1 110 110 SER . 18587 1 111 111 ALA . 18587 1 112 112 PRO . 18587 1 113 113 ASP . 18587 1 114 114 ASP . 18587 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 18587 1 . LYS 2 2 18587 1 . LYS 3 3 18587 1 . VAL 4 4 18587 1 . GLU 5 5 18587 1 . PHE 6 6 18587 1 . ASN 7 7 18587 1 . ASP 8 8 18587 1 . LYS 9 9 18587 1 . PRO 10 10 18587 1 . LYS 11 11 18587 1 . VAL 12 12 18587 1 . ARG 13 13 18587 1 . LYS 14 14 18587 1 . ILE 15 15 18587 1 . PRO 16 16 18587 1 . SER 17 17 18587 1 . THR 18 18 18587 1 . ARG 19 19 18587 1 . LYS 20 20 18587 1 . ILE 21 21 18587 1 . LYS 22 22 18587 1 . ILE 23 23 18587 1 . THR 24 24 18587 1 . PHE 25 25 18587 1 . ALA 26 26 18587 1 . LEU 27 27 18587 1 . ASP 28 28 18587 1 . ALA 29 29 18587 1 . THR 30 30 18587 1 . PHE 31 31 18587 1 . ASP 32 32 18587 1 . SER 33 33 18587 1 . VAL 34 34 18587 1 . LEU 35 35 18587 1 . SER 36 36 18587 1 . LYS 37 37 18587 1 . ALA 38 38 18587 1 . CYS 39 39 18587 1 . SER 40 40 18587 1 . GLU 41 41 18587 1 . PHE 42 42 18587 1 . GLU 43 43 18587 1 . VAL 44 44 18587 1 . ASP 45 45 18587 1 . LYS 46 46 18587 1 . ASP 47 47 18587 1 . VAL 48 48 18587 1 . THR 49 49 18587 1 . LEU 50 50 18587 1 . ASP 51 51 18587 1 . GLU 52 52 18587 1 . LEU 53 53 18587 1 . LEU 54 54 18587 1 . ASP 55 55 18587 1 . VAL 56 56 18587 1 . VAL 57 57 18587 1 . LEU 58 58 18587 1 . ASP 59 59 18587 1 . ALA 60 60 18587 1 . VAL 61 61 18587 1 . GLU 62 62 18587 1 . SER 63 63 18587 1 . THR 64 64 18587 1 . LEU 65 65 18587 1 . SER 66 66 18587 1 . PRO 67 67 18587 1 . CYS 68 68 18587 1 . LYS 69 69 18587 1 . GLU 70 70 18587 1 . HIS 71 71 18587 1 . ASP 72 72 18587 1 . VAL 73 73 18587 1 . ILE 74 74 18587 1 . GLY 75 75 18587 1 . THR 76 76 18587 1 . LYS 77 77 18587 1 . VAL 78 78 18587 1 . CYS 79 79 18587 1 . ALA 80 80 18587 1 . LEU 81 81 18587 1 . LEU 82 82 18587 1 . ASP 83 83 18587 1 . ARG 84 84 18587 1 . LEU 85 85 18587 1 . ALA 86 86 18587 1 . GLY 87 87 18587 1 . ASP 88 88 18587 1 . TYR 89 89 18587 1 . VAL 90 90 18587 1 . TYR 91 91 18587 1 . LEU 92 92 18587 1 . PHE 93 93 18587 1 . ASP 94 94 18587 1 . GLU 95 95 18587 1 . GLY 96 96 18587 1 . GLY 97 97 18587 1 . ASP 98 98 18587 1 . GLU 99 99 18587 1 . VAL 100 100 18587 1 . ILE 101 101 18587 1 . ALA 102 102 18587 1 . PRO 103 103 18587 1 . ARG 104 104 18587 1 . MET 105 105 18587 1 . TYR 106 106 18587 1 . CYS 107 107 18587 1 . SER 108 108 18587 1 . PHE 109 109 18587 1 . SER 110 110 18587 1 . ALA 111 111 18587 1 . PRO 112 112 18587 1 . ASP 113 113 18587 1 . ASP 114 114 18587 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 18587 _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 $MHV_nsp3a . 11138 virus . 'Murine hepatitis virus' 'Murine hepatitis virus' . . Viruse . Betacoronavirus . A59 . . . . . . . . . . . . . . . . . . . . 18587 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 18587 _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 $MHV_nsp3a . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET3a . . . . . . 18587 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18587 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'MHV nsp3a' '[U-100% 13C; U-100% 15N]' . . 1 $MHV_nsp3a . . 200 . . uM . . . . 18587 1 2 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 18587 1 3 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18587 1 4 TCEP 'natural abundance' . . . . . . 5 . . mM . . . . 18587 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18587 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18587 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18587 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'MHV nsp3a' '[U-100% 13C; U-100% 15N]' . . 1 $MHV_nsp3a . . 200 . . uM . . . . 18587 2 2 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 18587 2 3 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18587 2 4 TCEP 'natural abundance' . . . . . . 5 . . mM . . . . 18587 2 5 D2O 'natural abundance' . . . . . . 100 . . % . . . . 18587 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18587 _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' 0.15 . M 18587 1 pH 6.00 . pH 18587 1 pressure 1 . atm 18587 1 temperature 273 . K 18587 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18587 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18587 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18587 1 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 18587 _Software.ID 2 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18587 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18587 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18587 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18587 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18587 3 'data analysis' 18587 3 'peak picking' 18587 3 stop_ save_ save_PINE _Software.Sf_category software _Software.Sf_framecode PINE _Software.Entry_ID 18587 _Software.ID 4 _Software.Name PINE _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bahrami, Markley, Assadi, and Eghbalnia' . . 18587 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18587 4 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 18587 _Software.ID 5 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 18587 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18587 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 18587 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model VNMRS _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 18587 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model VNMRS _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 18587 _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 Varian VNMRS . 600 . . . 18587 1 2 spectrometer_2 Varian VNMRS . 800 . . . 18587 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 18587 _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 . . . . . . . . . . . . . . . . . . . . . 18587 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18587 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18587 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18587 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18587 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18587 1 7 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18587 1 8 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18587 1 9 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18587 1 10 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18587 1 11 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18587 1 12 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18587 1 13 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18587 1 14 '3D HCCH-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18587 1 15 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18587 1 16 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18587 1 17 '2D HBCBCGCDHD' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18587 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 18587 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 18587 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18587 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 18587 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 18587 _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' . . . 18587 1 2 '2D 1H-13C HSQC aliphatic' . . . 18587 1 3 '2D 1H-13C HSQC aromatic' . . . 18587 1 4 '3D HNCO' . . . 18587 1 5 '3D CBCA(CO)NH' . . . 18587 1 6 '3D HNCACB' . . . 18587 1 7 '3D HNHA' . . . 18587 1 8 '3D HNCA' . . . 18587 1 9 '3D C(CO)NH' . . . 18587 1 10 '3D H(CCO)NH' . . . 18587 1 11 '3D 1H-13C NOESY aliphatic' . . . 18587 1 12 '3D 1H-13C NOESY aromatic' . . . 18587 1 13 '3D HCCH-TOCSY' . . . 18587 1 14 '3D HCCH-COSY' . . . 18587 1 15 '3D 1H-15N NOESY' . . . 18587 1 16 '3D 1H-15N TOCSY' . . . 18587 1 17 '2D HBCBCGCDHD' . . . 18587 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 3.998 0.015 . 2 . . . . 1 GLY QA . 18587 1 2 . 1 1 1 1 GLY HA3 H 1 3.998 0.015 . 2 . . . . 1 GLY QA . 18587 1 3 . 1 1 1 1 GLY CA C 13 45.008 0.092 . 1 . . . . 1 GLY CA . 18587 1 4 . 1 1 2 2 LYS H H 1 8.188 0.004 . 1 . . . . 2 LYS H . 18587 1 5 . 1 1 2 2 LYS HA H 1 4.319 0.008 . 1 . . . . 2 LYS HA . 18587 1 6 . 1 1 2 2 LYS HB2 H 1 1.781 0.018 . 2 . . . . 2 LYS HB2 . 18587 1 7 . 1 1 2 2 LYS HB3 H 1 1.744 0.012 . 2 . . . . 2 LYS HB3 . 18587 1 8 . 1 1 2 2 LYS HG2 H 1 1.42 0.011 . 2 . . . . 2 LYS HG2 . 18587 1 9 . 1 1 2 2 LYS HG3 H 1 1.351 0.006 . 2 . . . . 2 LYS HG3 . 18587 1 10 . 1 1 2 2 LYS HD2 H 1 1.674 0.007 . 2 . . . . 2 LYS QD . 18587 1 11 . 1 1 2 2 LYS HD3 H 1 1.674 0.007 . 2 . . . . 2 LYS QD . 18587 1 12 . 1 1 2 2 LYS HE2 H 1 2.979 0.007 . 2 . . . . 2 LYS QE . 18587 1 13 . 1 1 2 2 LYS HE3 H 1 2.979 0.007 . 2 . . . . 2 LYS QE . 18587 1 14 . 1 1 2 2 LYS CA C 13 56.273 0.113 . 1 . . . . 2 LYS CA . 18587 1 15 . 1 1 2 2 LYS CB C 13 33.143 0.13 . 1 . . . . 2 LYS CB . 18587 1 16 . 1 1 2 2 LYS CG C 13 24.647 0.095 . 1 . . . . 2 LYS CG . 18587 1 17 . 1 1 2 2 LYS CD C 13 29.02 0.126 . 1 . . . . 2 LYS CD . 18587 1 18 . 1 1 2 2 LYS CE C 13 41.891 0.102 . 1 . . . . 2 LYS CE . 18587 1 19 . 1 1 2 2 LYS N N 15 121.068 0.037 . 1 . . . . 2 LYS N . 18587 1 20 . 1 1 3 3 LYS H H 1 8.516 0.007 . 1 . . . . 3 LYS H . 18587 1 21 . 1 1 3 3 LYS HA H 1 4.325 0.009 . 1 . . . . 3 LYS HA . 18587 1 22 . 1 1 3 3 LYS HB2 H 1 1.765 0.007 . 2 . . . . 3 LYS QB . 18587 1 23 . 1 1 3 3 LYS HB3 H 1 1.765 0.007 . 2 . . . . 3 LYS QB . 18587 1 24 . 1 1 3 3 LYS HG2 H 1 1.405 0.006 . 2 . . . . 3 LYS QG . 18587 1 25 . 1 1 3 3 LYS HG3 H 1 1.405 0.006 . 2 . . . . 3 LYS QG . 18587 1 26 . 1 1 3 3 LYS C C 13 176.427 0.000 . 1 . . . . 3 LYS C . 18587 1 27 . 1 1 3 3 LYS CA C 13 56.287 0.059 . 1 . . . . 3 LYS CA . 18587 1 28 . 1 1 3 3 LYS CB C 13 33.119 0.09 . 1 . . . . 3 LYS CB . 18587 1 29 . 1 1 3 3 LYS N N 15 123.999 0.042 . 1 . . . . 3 LYS N . 18587 1 30 . 1 1 4 4 VAL H H 1 8.198 0.007 . 1 . . . . 4 VAL H . 18587 1 31 . 1 1 4 4 VAL HA H 1 4.055 0.005 . 1 . . . . 4 VAL HA . 18587 1 32 . 1 1 4 4 VAL HB H 1 1.988 0.007 . 1 . . . . 4 VAL HB . 18587 1 33 . 1 1 4 4 VAL HG11 H 1 0.893 0.01 . 1 . . . . 4 VAL QG1 . 18587 1 34 . 1 1 4 4 VAL HG12 H 1 0.893 0.01 . 1 . . . . 4 VAL QG1 . 18587 1 35 . 1 1 4 4 VAL HG13 H 1 0.893 0.01 . 1 . . . . 4 VAL QG1 . 18587 1 36 . 1 1 4 4 VAL HG21 H 1 0.839 0.012 . 1 . . . . 4 VAL QG2 . 18587 1 37 . 1 1 4 4 VAL HG22 H 1 0.839 0.012 . 1 . . . . 4 VAL QG2 . 18587 1 38 . 1 1 4 4 VAL HG23 H 1 0.839 0.012 . 1 . . . . 4 VAL QG2 . 18587 1 39 . 1 1 4 4 VAL C C 13 175.77 0.000 . 1 . . . . 4 VAL C . 18587 1 40 . 1 1 4 4 VAL CA C 13 62.209 0.087 . 1 . . . . 4 VAL CA . 18587 1 41 . 1 1 4 4 VAL CB C 13 32.799 0.088 . 1 . . . . 4 VAL CB . 18587 1 42 . 1 1 4 4 VAL CG1 C 13 20.697 0.138 . 2 . . . . 4 VAL CG1 . 18587 1 43 . 1 1 4 4 VAL N N 15 122.409 0.062 . 1 . . . . 4 VAL N . 18587 1 44 . 1 1 5 5 GLU H H 1 8.415 0.003 . 1 . . . . 5 GLU H . 18587 1 45 . 1 1 5 5 GLU HA H 1 4.3 0.006 . 1 . . . . 5 GLU HA . 18587 1 46 . 1 1 5 5 GLU HB2 H 1 1.938 0.027 . 2 . . . . 5 GLU QB . 18587 1 47 . 1 1 5 5 GLU HB3 H 1 1.938 0.027 . 2 . . . . 5 GLU QB . 18587 1 48 . 1 1 5 5 GLU HG2 H 1 2.179 0.008 . 2 . . . . 5 GLU HG2 . 18587 1 49 . 1 1 5 5 GLU HG3 H 1 2.127 0.013 . 2 . . . . 5 GLU HG3 . 18587 1 50 . 1 1 5 5 GLU C C 13 175.916 0.000 . 1 . . . . 5 GLU C . 18587 1 51 . 1 1 5 5 GLU CA C 13 55.986 0.125 . 1 . . . . 5 GLU CA . 18587 1 52 . 1 1 5 5 GLU CB C 13 30.69 0.095 . 1 . . . . 5 GLU CB . 18587 1 53 . 1 1 5 5 GLU CG C 13 36.133 0.11 . 1 . . . . 5 GLU CG . 18587 1 54 . 1 1 5 5 GLU N N 15 124.994 0.032 . 1 . . . . 5 GLU N . 18587 1 55 . 1 1 6 6 PHE H H 1 8.366 0.004 . 1 . . . . 6 PHE H . 18587 1 56 . 1 1 6 6 PHE HA H 1 4.607 0.004 . 1 . . . . 6 PHE HA . 18587 1 57 . 1 1 6 6 PHE HB2 H 1 3.13 0.01 . 2 . . . . 6 PHE HB2 . 18587 1 58 . 1 1 6 6 PHE HB3 H 1 3.021 0.011 . 2 . . . . 6 PHE HB3 . 18587 1 59 . 1 1 6 6 PHE HD1 H 1 7.247 0.006 . 3 . . . . 6 PHE QD . 18587 1 60 . 1 1 6 6 PHE HD2 H 1 7.247 0.006 . 3 . . . . 6 PHE QD . 18587 1 61 . 1 1 6 6 PHE HE1 H 1 7.327 0.012 . 3 . . . . 6 PHE QE . 18587 1 62 . 1 1 6 6 PHE HE2 H 1 7.327 0.012 . 3 . . . . 6 PHE QE . 18587 1 63 . 1 1 6 6 PHE C C 13 175.464 0.000 . 1 . . . . 6 PHE C . 18587 1 64 . 1 1 6 6 PHE CA C 13 57.692 0.109 . 1 . . . . 6 PHE CA . 18587 1 65 . 1 1 6 6 PHE CB C 13 39.594 0.034 . 1 . . . . 6 PHE CB . 18587 1 66 . 1 1 6 6 PHE CD1 C 13 131.584 0.023 . 3 . . . . 6 PHE CD1 . 18587 1 67 . 1 1 6 6 PHE CE1 C 13 131.498 0.005 . 3 . . . . 6 PHE CE1 . 18587 1 68 . 1 1 6 6 PHE N N 15 121.614 0.036 . 1 . . . . 6 PHE N . 18587 1 69 . 1 1 7 7 ASN H H 1 8.419 0.003 . 1 . . . . 7 ASN H . 18587 1 70 . 1 1 7 7 ASN HA H 1 4.679 0.013 . 1 . . . . 7 ASN HA . 18587 1 71 . 1 1 7 7 ASN HB2 H 1 2.793 0.007 . 2 . . . . 7 ASN HB2 . 18587 1 72 . 1 1 7 7 ASN HB3 H 1 2.69 0.004 . 2 . . . . 7 ASN HB3 . 18587 1 73 . 1 1 7 7 ASN HD21 H 1 7.591 0.001 . 2 . . . . 7 ASN HD21 . 18587 1 74 . 1 1 7 7 ASN HD22 H 1 6.908 0.000 . 2 . . . . 7 ASN HD22 . 18587 1 75 . 1 1 7 7 ASN C C 13 174.516 0.000 . 1 . . . . 7 ASN C . 18587 1 76 . 1 1 7 7 ASN CA C 13 53.147 0.094 . 1 . . . . 7 ASN CA . 18587 1 77 . 1 1 7 7 ASN CB C 13 39.079 0.089 . 1 . . . . 7 ASN CB . 18587 1 78 . 1 1 7 7 ASN N N 15 120.662 0.051 . 1 . . . . 7 ASN N . 18587 1 79 . 1 1 7 7 ASN ND2 N 15 112.821 0.005 . 1 . . . . 7 ASN ND2 . 18587 1 80 . 1 1 8 8 ASP H H 1 8.227 0.003 . 1 . . . . 8 ASP H . 18587 1 81 . 1 1 8 8 ASP HA H 1 4.549 0.008 . 1 . . . . 8 ASP HA . 18587 1 82 . 1 1 8 8 ASP HB2 H 1 2.637 0.005 . 2 . . . . 8 ASP QB . 18587 1 83 . 1 1 8 8 ASP HB3 H 1 2.637 0.005 . 2 . . . . 8 ASP QB . 18587 1 84 . 1 1 8 8 ASP C C 13 175.759 0.000 . 1 . . . . 8 ASP C . 18587 1 85 . 1 1 8 8 ASP CA C 13 54.004 0.133 . 1 . . . . 8 ASP CA . 18587 1 86 . 1 1 8 8 ASP CB C 13 41.113 0.057 . 1 . . . . 8 ASP CB . 18587 1 87 . 1 1 8 8 ASP N N 15 120.859 0.017 . 1 . . . . 8 ASP N . 18587 1 88 . 1 1 9 9 LYS H H 1 8.063 0.003 . 1 . . . . 9 LYS H . 18587 1 89 . 1 1 9 9 LYS HA H 1 4.577 0.005 . 1 . . . . 9 LYS HA . 18587 1 90 . 1 1 9 9 LYS HB2 H 1 1.812 0.006 . 2 . . . . 9 LYS HB2 . 18587 1 91 . 1 1 9 9 LYS HB3 H 1 1.726 0.012 . 2 . . . . 9 LYS HB3 . 18587 1 92 . 1 1 9 9 LYS HG2 H 1 1.479 0.009 . 2 . . . . 9 LYS HG2 . 18587 1 93 . 1 1 9 9 LYS HG3 H 1 1.443 0.01 . 2 . . . . 9 LYS HG3 . 18587 1 94 . 1 1 9 9 LYS HE2 H 1 2.992 0.005 . 2 . . . . 9 LYS QE . 18587 1 95 . 1 1 9 9 LYS HE3 H 1 2.992 0.005 . 2 . . . . 9 LYS QE . 18587 1 96 . 1 1 9 9 LYS CA C 13 54.233 0.062 . 1 . . . . 9 LYS CA . 18587 1 97 . 1 1 9 9 LYS CB C 13 32.362 0.084 . 1 . . . . 9 LYS CB . 18587 1 98 . 1 1 9 9 LYS N N 15 122.047 0.028 . 1 . . . . 9 LYS N . 18587 1 99 . 1 1 10 10 PRO HA H 1 4.398 0.007 . 1 . . . . 10 PRO HA . 18587 1 100 . 1 1 10 10 PRO HB2 H 1 2.29 0.005 . 2 . . . . 10 PRO HB2 . 18587 1 101 . 1 1 10 10 PRO HB3 H 1 1.857 0.004 . 2 . . . . 10 PRO HB3 . 18587 1 102 . 1 1 10 10 PRO HG2 H 1 2.004 0.005 . 2 . . . . 10 PRO QG . 18587 1 103 . 1 1 10 10 PRO HG3 H 1 2.004 0.005 . 2 . . . . 10 PRO QG . 18587 1 104 . 1 1 10 10 PRO HD2 H 1 3.785 0.005 . 2 . . . . 10 PRO HD2 . 18587 1 105 . 1 1 10 10 PRO HD3 H 1 3.607 0.005 . 2 . . . . 10 PRO HD3 . 18587 1 106 . 1 1 10 10 PRO C C 13 176.943 0.000 . 1 . . . . 10 PRO C . 18587 1 107 . 1 1 10 10 PRO CA C 13 63.156 0.079 . 1 . . . . 10 PRO CA . 18587 1 108 . 1 1 10 10 PRO CB C 13 32.134 0.063 . 1 . . . . 10 PRO CB . 18587 1 109 . 1 1 10 10 PRO CG C 13 27.445 0.09 . 1 . . . . 10 PRO CG . 18587 1 110 . 1 1 10 10 PRO CD C 13 50.62 0.044 . 1 . . . . 10 PRO CD . 18587 1 111 . 1 1 11 11 LYS H H 1 8.472 0.004 . 1 . . . . 11 LYS H . 18587 1 112 . 1 1 11 11 LYS HA H 1 4.294 0.006 . 1 . . . . 11 LYS HA . 18587 1 113 . 1 1 11 11 LYS HB2 H 1 1.772 0.002 . 2 . . . . 11 LYS HB2 . 18587 1 114 . 1 1 11 11 LYS HB3 H 1 1.735 0.003 . 2 . . . . 11 LYS HB3 . 18587 1 115 . 1 1 11 11 LYS C C 13 176.58 0.000 . 1 . . . . 11 LYS C . 18587 1 116 . 1 1 11 11 LYS CA C 13 56.343 0.142 . 1 . . . . 11 LYS CA . 18587 1 117 . 1 1 11 11 LYS CB C 13 32.998 0.086 . 1 . . . . 11 LYS CB . 18587 1 118 . 1 1 11 11 LYS N N 15 122.092 0.032 . 1 . . . . 11 LYS N . 18587 1 119 . 1 1 12 12 VAL H H 1 8.09 0.006 . 1 . . . . 12 VAL H . 18587 1 120 . 1 1 12 12 VAL HA H 1 4.124 0.013 . 1 . . . . 12 VAL HA . 18587 1 121 . 1 1 12 12 VAL HB H 1 2.031 0.003 . 1 . . . . 12 VAL HB . 18587 1 122 . 1 1 12 12 VAL HG11 H 1 0.923 0.016 . 1 . . . . 12 VAL QQG . 18587 1 123 . 1 1 12 12 VAL HG12 H 1 0.923 0.016 . 1 . . . . 12 VAL QQG . 18587 1 124 . 1 1 12 12 VAL HG13 H 1 0.923 0.016 . 1 . . . . 12 VAL QQG . 18587 1 125 . 1 1 12 12 VAL HG21 H 1 0.923 0.016 . 1 . . . . 12 VAL QQG . 18587 1 126 . 1 1 12 12 VAL HG22 H 1 0.923 0.016 . 1 . . . . 12 VAL QQG . 18587 1 127 . 1 1 12 12 VAL HG23 H 1 0.923 0.016 . 1 . . . . 12 VAL QQG . 18587 1 128 . 1 1 12 12 VAL C C 13 175.806 0.000 . 1 . . . . 12 VAL C . 18587 1 129 . 1 1 12 12 VAL CA C 13 61.998 0.143 . 1 . . . . 12 VAL CA . 18587 1 130 . 1 1 12 12 VAL CB C 13 32.874 0.099 . 1 . . . . 12 VAL CB . 18587 1 131 . 1 1 12 12 VAL CG1 C 13 20.911 0.000 . 2 . . . . 12 VAL CG1 . 18587 1 132 . 1 1 12 12 VAL N N 15 121.437 0.03 . 1 . . . . 12 VAL N . 18587 1 133 . 1 1 13 13 ARG H H 1 8.462 0.004 . 1 . . . . 13 ARG H . 18587 1 134 . 1 1 13 13 ARG HA H 1 4.365 0.013 . 1 . . . . 13 ARG HA . 18587 1 135 . 1 1 13 13 ARG HB2 H 1 1.732 0.012 . 2 . . . . 13 ARG HB2 . 18587 1 136 . 1 1 13 13 ARG HB3 H 1 1.799 0.002 . 2 . . . . 13 ARG HB3 . 18587 1 137 . 1 1 13 13 ARG HG2 H 1 1.604 0.005 . 2 . . . . 13 ARG HG2 . 18587 1 138 . 1 1 13 13 ARG HG3 H 1 1.574 0.000 . 2 . . . . 13 ARG HG3 . 18587 1 139 . 1 1 13 13 ARG HD2 H 1 3.181 0.007 . 2 . . . . 13 ARG QD . 18587 1 140 . 1 1 13 13 ARG HD3 H 1 3.181 0.007 . 2 . . . . 13 ARG QD . 18587 1 141 . 1 1 13 13 ARG C C 13 175.772 0.000 . 1 . . . . 13 ARG C . 18587 1 142 . 1 1 13 13 ARG CA C 13 55.739 0.148 . 1 . . . . 13 ARG CA . 18587 1 143 . 1 1 13 13 ARG CB C 13 31.189 0.035 . 1 . . . . 13 ARG CB . 18587 1 144 . 1 1 13 13 ARG CG C 13 27.53 0.000 . 1 . . . . 13 ARG CG . 18587 1 145 . 1 1 13 13 ARG CD C 13 43.261 0.078 . 1 . . . . 13 ARG CD . 18587 1 146 . 1 1 13 13 ARG N N 15 125.77 0.045 . 1 . . . . 13 ARG N . 18587 1 147 . 1 1 14 14 LYS H H 1 8.446 0.007 . 1 . . . . 14 LYS H . 18587 1 148 . 1 1 14 14 LYS HA H 1 4.31 0.007 . 1 . . . . 14 LYS HA . 18587 1 149 . 1 1 14 14 LYS HB2 H 1 1.741 0.006 . 2 . . . . 14 LYS QB . 18587 1 150 . 1 1 14 14 LYS HB3 H 1 1.741 0.006 . 2 . . . . 14 LYS QB . 18587 1 151 . 1 1 14 14 LYS HG2 H 1 1.376 0.000 . 2 . . . . 14 LYS QG . 18587 1 152 . 1 1 14 14 LYS HG3 H 1 1.376 0.000 . 2 . . . . 14 LYS QG . 18587 1 153 . 1 1 14 14 LYS C C 13 176.093 0.000 . 1 . . . . 14 LYS C . 18587 1 154 . 1 1 14 14 LYS CA C 13 56.162 0.148 . 1 . . . . 14 LYS CA . 18587 1 155 . 1 1 14 14 LYS CB C 13 33.182 0.034 . 1 . . . . 14 LYS CB . 18587 1 156 . 1 1 14 14 LYS CG C 13 24.782 0.013 . 1 . . . . 14 LYS CG . 18587 1 157 . 1 1 14 14 LYS N N 15 124.194 0.058 . 1 . . . . 14 LYS N . 18587 1 158 . 1 1 15 15 ILE H H 1 8.285 0.004 . 1 . . . . 15 ILE H . 18587 1 159 . 1 1 15 15 ILE HA H 1 4.452 0.004 . 1 . . . . 15 ILE HA . 18587 1 160 . 1 1 15 15 ILE HB H 1 1.849 0.009 . 1 . . . . 15 ILE HB . 18587 1 161 . 1 1 15 15 ILE HG12 H 1 1.498 0.007 . 2 . . . . 15 ILE HG12 . 18587 1 162 . 1 1 15 15 ILE HG13 H 1 1.169 0.006 . 2 . . . . 15 ILE HG13 . 18587 1 163 . 1 1 15 15 ILE HG21 H 1 0.941 0.008 . 1 . . . . 15 ILE QG2 . 18587 1 164 . 1 1 15 15 ILE HG22 H 1 0.941 0.008 . 1 . . . . 15 ILE QG2 . 18587 1 165 . 1 1 15 15 ILE HG23 H 1 0.941 0.008 . 1 . . . . 15 ILE QG2 . 18587 1 166 . 1 1 15 15 ILE HD11 H 1 0.854 0.007 . 1 . . . . 15 ILE QD1 . 18587 1 167 . 1 1 15 15 ILE HD12 H 1 0.854 0.007 . 1 . . . . 15 ILE QD1 . 18587 1 168 . 1 1 15 15 ILE HD13 H 1 0.854 0.007 . 1 . . . . 15 ILE QD1 . 18587 1 169 . 1 1 15 15 ILE CA C 13 58.434 0.07 . 1 . . . . 15 ILE CA . 18587 1 170 . 1 1 15 15 ILE CB C 13 38.526 0.042 . 1 . . . . 15 ILE CB . 18587 1 171 . 1 1 15 15 ILE CG1 C 13 27.056 0.03 . 1 . . . . 15 ILE CG1 . 18587 1 172 . 1 1 15 15 ILE CG2 C 13 17.054 0.034 . 1 . . . . 15 ILE CG2 . 18587 1 173 . 1 1 15 15 ILE CD1 C 13 12.629 0.03 . 1 . . . . 15 ILE CD1 . 18587 1 174 . 1 1 15 15 ILE N N 15 124.894 0.047 . 1 . . . . 15 ILE N . 18587 1 175 . 1 1 16 16 PRO HA H 1 4.478 0.005 . 1 . . . . 16 PRO HA . 18587 1 176 . 1 1 16 16 PRO HB2 H 1 2.354 0.006 . 2 . . . . 16 PRO HB2 . 18587 1 177 . 1 1 16 16 PRO HB3 H 1 2.009 0.006 . 2 . . . . 16 PRO HB3 . 18587 1 178 . 1 1 16 16 PRO HG2 H 1 2.072 0.026 . 2 . . . . 16 PRO QG . 18587 1 179 . 1 1 16 16 PRO HG3 H 1 2.072 0.026 . 2 . . . . 16 PRO QG . 18587 1 180 . 1 1 16 16 PRO HD2 H 1 3.916 0.006 . 2 . . . . 16 PRO HD2 . 18587 1 181 . 1 1 16 16 PRO HD3 H 1 3.717 0.005 . 2 . . . . 16 PRO HD3 . 18587 1 182 . 1 1 16 16 PRO C C 13 176.846 0.000 . 1 . . . . 16 PRO C . 18587 1 183 . 1 1 16 16 PRO CA C 13 63.351 0.082 . 1 . . . . 16 PRO CA . 18587 1 184 . 1 1 16 16 PRO CB C 13 32.319 0.065 . 1 . . . . 16 PRO CB . 18587 1 185 . 1 1 16 16 PRO CG C 13 27.47 0.027 . 1 . . . . 16 PRO CG . 18587 1 186 . 1 1 16 16 PRO CD C 13 51.181 0.02 . 1 . . . . 16 PRO CD . 18587 1 187 . 1 1 17 17 SER H H 1 8.636 0.005 . 1 . . . . 17 SER H . 18587 1 188 . 1 1 17 17 SER HA H 1 4.535 0.005 . 1 . . . . 17 SER HA . 18587 1 189 . 1 1 17 17 SER HB2 H 1 3.944 0.011 . 2 . . . . 17 SER HB2 . 18587 1 190 . 1 1 17 17 SER HB3 H 1 3.899 0.006 . 2 . . . . 17 SER HB3 . 18587 1 191 . 1 1 17 17 SER C C 13 174.392 0.000 . 1 . . . . 17 SER C . 18587 1 192 . 1 1 17 17 SER CA C 13 58.485 0.045 . 1 . . . . 17 SER CA . 18587 1 193 . 1 1 17 17 SER CB C 13 63.802 0.113 . 1 . . . . 17 SER CB . 18587 1 194 . 1 1 17 17 SER N N 15 116.664 0.045 . 1 . . . . 17 SER N . 18587 1 195 . 1 1 18 18 THR H H 1 7.821 0.008 . 1 . . . . 18 THR H . 18587 1 196 . 1 1 18 18 THR HA H 1 4.998 0.01 . 1 . . . . 18 THR HA . 18587 1 197 . 1 1 18 18 THR HB H 1 4.138 0.008 . 1 . . . . 18 THR HB . 18587 1 198 . 1 1 18 18 THR HG21 H 1 1.022 0.009 . 1 . . . . 18 THR QG2 . 18587 1 199 . 1 1 18 18 THR HG22 H 1 1.022 0.009 . 1 . . . . 18 THR QG2 . 18587 1 200 . 1 1 18 18 THR HG23 H 1 1.022 0.009 . 1 . . . . 18 THR QG2 . 18587 1 201 . 1 1 18 18 THR C C 13 174 0.000 . 1 . . . . 18 THR C . 18587 1 202 . 1 1 18 18 THR CA C 13 59.894 0.108 . 1 . . . . 18 THR CA . 18587 1 203 . 1 1 18 18 THR CB C 13 71.828 0.163 . 1 . . . . 18 THR CB . 18587 1 204 . 1 1 18 18 THR CG2 C 13 21.653 0.048 . 1 . . . . 18 THR CG2 . 18587 1 205 . 1 1 18 18 THR N N 15 112.528 0.057 . 1 . . . . 18 THR N . 18587 1 206 . 1 1 19 19 ARG H H 1 9.322 0.008 . 1 . . . . 19 ARG H . 18587 1 207 . 1 1 19 19 ARG HA H 1 4.756 0.009 . 1 . . . . 19 ARG HA . 18587 1 208 . 1 1 19 19 ARG HB2 H 1 1.951 0.011 . 2 . . . . 19 ARG HB2 . 18587 1 209 . 1 1 19 19 ARG HB3 H 1 1.607 0.011 . 2 . . . . 19 ARG HB3 . 18587 1 210 . 1 1 19 19 ARG HG2 H 1 1.266 0.006 . 2 . . . . 19 ARG QG . 18587 1 211 . 1 1 19 19 ARG HG3 H 1 1.266 0.006 . 2 . . . . 19 ARG QG . 18587 1 212 . 1 1 19 19 ARG HD2 H 1 3.037 0.009 . 2 . . . . 19 ARG QD . 18587 1 213 . 1 1 19 19 ARG HD3 H 1 3.037 0.009 . 2 . . . . 19 ARG QD . 18587 1 214 . 1 1 19 19 ARG C C 13 173.422 0.000 . 1 . . . . 19 ARG C . 18587 1 215 . 1 1 19 19 ARG CA C 13 54.164 0.101 . 1 . . . . 19 ARG CA . 18587 1 216 . 1 1 19 19 ARG CB C 13 33.368 0.074 . 1 . . . . 19 ARG CB . 18587 1 217 . 1 1 19 19 ARG CD C 13 43.691 0.021 . 1 . . . . 19 ARG CD . 18587 1 218 . 1 1 19 19 ARG N N 15 118.463 0.068 . 1 . . . . 19 ARG N . 18587 1 219 . 1 1 20 20 LYS H H 1 8.398 0.007 . 1 . . . . 20 LYS H . 18587 1 220 . 1 1 20 20 LYS HA H 1 5.259 0.008 . 1 . . . . 20 LYS HA . 18587 1 221 . 1 1 20 20 LYS HB2 H 1 1.723 0.015 . 2 . . . . 20 LYS QB . 18587 1 222 . 1 1 20 20 LYS HB3 H 1 1.723 0.015 . 2 . . . . 20 LYS QB . 18587 1 223 . 1 1 20 20 LYS HG2 H 1 1.42 0.002 . 2 . . . . 20 LYS HG2 . 18587 1 224 . 1 1 20 20 LYS HG3 H 1 1.23 0.015 . 2 . . . . 20 LYS HG3 . 18587 1 225 . 1 1 20 20 LYS HD2 H 1 1.606 0.01 . 2 . . . . 20 LYS QD . 18587 1 226 . 1 1 20 20 LYS HD3 H 1 1.606 0.01 . 2 . . . . 20 LYS QD . 18587 1 227 . 1 1 20 20 LYS HE2 H 1 2.876 0.006 . 2 . . . . 20 LYS QE . 18587 1 228 . 1 1 20 20 LYS HE3 H 1 2.876 0.006 . 2 . . . . 20 LYS QE . 18587 1 229 . 1 1 20 20 LYS C C 13 176.558 0.000 . 1 . . . . 20 LYS C . 18587 1 230 . 1 1 20 20 LYS CA C 13 55.187 0.105 . 1 . . . . 20 LYS CA . 18587 1 231 . 1 1 20 20 LYS CB C 13 33.843 0.069 . 1 . . . . 20 LYS CB . 18587 1 232 . 1 1 20 20 LYS CG C 13 25.327 0.003 . 1 . . . . 20 LYS CG . 18587 1 233 . 1 1 20 20 LYS CD C 13 38.878 0.051 . 1 . . . . 20 LYS CD . 18587 1 234 . 1 1 20 20 LYS CE C 13 43.431 0.009 . 1 . . . . 20 LYS CE . 18587 1 235 . 1 1 20 20 LYS N N 15 121.174 0.068 . 1 . . . . 20 LYS N . 18587 1 236 . 1 1 21 21 ILE H H 1 9.129 0.008 . 1 . . . . 21 ILE H . 18587 1 237 . 1 1 21 21 ILE HA H 1 4.594 0.014 . 1 . . . . 21 ILE HA . 18587 1 238 . 1 1 21 21 ILE HB H 1 1.583 0.008 . 1 . . . . 21 ILE HB . 18587 1 239 . 1 1 21 21 ILE HG12 H 1 1.211 0.01 . 2 . . . . 21 ILE HG12 . 18587 1 240 . 1 1 21 21 ILE HG13 H 1 1.147 0.008 . 2 . . . . 21 ILE HG13 . 18587 1 241 . 1 1 21 21 ILE HG21 H 1 0.776 0.013 . 1 . . . . 21 ILE QG2 . 18587 1 242 . 1 1 21 21 ILE HG22 H 1 0.776 0.013 . 1 . . . . 21 ILE QG2 . 18587 1 243 . 1 1 21 21 ILE HG23 H 1 0.776 0.013 . 1 . . . . 21 ILE QG2 . 18587 1 244 . 1 1 21 21 ILE HD11 H 1 0.33 0.002 . 1 . . . . 21 ILE QD1 . 18587 1 245 . 1 1 21 21 ILE HD12 H 1 0.33 0.002 . 1 . . . . 21 ILE QD1 . 18587 1 246 . 1 1 21 21 ILE HD13 H 1 0.33 0.002 . 1 . . . . 21 ILE QD1 . 18587 1 247 . 1 1 21 21 ILE C C 13 174.231 0.000 . 1 . . . . 21 ILE C . 18587 1 248 . 1 1 21 21 ILE CA C 13 60.027 0.086 . 1 . . . . 21 ILE CA . 18587 1 249 . 1 1 21 21 ILE CB C 13 42.119 0.1 . 1 . . . . 21 ILE CB . 18587 1 250 . 1 1 21 21 ILE CG2 C 13 17.212 0.024 . 1 . . . . 21 ILE CG2 . 18587 1 251 . 1 1 21 21 ILE CD1 C 13 11.913 0.01 . 1 . . . . 21 ILE CD1 . 18587 1 252 . 1 1 21 21 ILE N N 15 126.182 0.082 . 1 . . . . 21 ILE N . 18587 1 253 . 1 1 22 22 LYS H H 1 8.42 0.005 . 1 . . . . 22 LYS H . 18587 1 254 . 1 1 22 22 LYS HA H 1 5.332 0.005 . 1 . . . . 22 LYS HA . 18587 1 255 . 1 1 22 22 LYS HB2 H 1 1.903 0.009 . 2 . . . . 22 LYS HB2 . 18587 1 256 . 1 1 22 22 LYS HB3 H 1 1.71 0.01 . 2 . . . . 22 LYS HB3 . 18587 1 257 . 1 1 22 22 LYS HG2 H 1 1.329 0.006 . 2 . . . . 22 LYS QG . 18587 1 258 . 1 1 22 22 LYS HG3 H 1 1.329 0.006 . 2 . . . . 22 LYS QG . 18587 1 259 . 1 1 22 22 LYS HD2 H 1 1.613 0.006 . 2 . . . . 22 LYS QD . 18587 1 260 . 1 1 22 22 LYS HD3 H 1 1.613 0.006 . 2 . . . . 22 LYS QD . 18587 1 261 . 1 1 22 22 LYS HE2 H 1 2.931 0.012 . 2 . . . . 22 LYS QE . 18587 1 262 . 1 1 22 22 LYS HE3 H 1 2.931 0.012 . 2 . . . . 22 LYS QE . 18587 1 263 . 1 1 22 22 LYS C C 13 175.372 0.000 . 1 . . . . 22 LYS C . 18587 1 264 . 1 1 22 22 LYS CA C 13 54.128 0.076 . 1 . . . . 22 LYS CA . 18587 1 265 . 1 1 22 22 LYS CB C 13 34.923 0.092 . 1 . . . . 22 LYS CB . 18587 1 266 . 1 1 22 22 LYS CG C 13 25.057 0.153 . 1 . . . . 22 LYS CG . 18587 1 267 . 1 1 22 22 LYS CE C 13 42.093 0.025 . 1 . . . . 22 LYS CE . 18587 1 268 . 1 1 22 22 LYS N N 15 127.9 0.033 . 1 . . . . 22 LYS N . 18587 1 269 . 1 1 23 23 ILE H H 1 9.443 0.007 . 1 . . . . 23 ILE H . 18587 1 270 . 1 1 23 23 ILE HA H 1 4.456 0.008 . 1 . . . . 23 ILE HA . 18587 1 271 . 1 1 23 23 ILE HB H 1 1.52 0.000 . 1 . . . . 23 ILE HB . 18587 1 272 . 1 1 23 23 ILE HG12 H 1 1.201 0.005 . 2 . . . . 23 ILE HG12 . 18587 1 273 . 1 1 23 23 ILE HG13 H 1 1.593 0.000 . 2 . . . . 23 ILE HG13 . 18587 1 274 . 1 1 23 23 ILE HG21 H 1 0.47 0.017 . 1 . . . . 23 ILE QG2 . 18587 1 275 . 1 1 23 23 ILE HG22 H 1 0.47 0.017 . 1 . . . . 23 ILE QG2 . 18587 1 276 . 1 1 23 23 ILE HG23 H 1 0.47 0.017 . 1 . . . . 23 ILE QG2 . 18587 1 277 . 1 1 23 23 ILE HD11 H 1 0.609 0.001 . 1 . . . . 23 ILE QD1 . 18587 1 278 . 1 1 23 23 ILE HD12 H 1 0.609 0.001 . 1 . . . . 23 ILE QD1 . 18587 1 279 . 1 1 23 23 ILE HD13 H 1 0.609 0.001 . 1 . . . . 23 ILE QD1 . 18587 1 280 . 1 1 23 23 ILE C C 13 175.921 0.000 . 1 . . . . 23 ILE C . 18587 1 281 . 1 1 23 23 ILE CA C 13 57.879 0.113 . 1 . . . . 23 ILE CA . 18587 1 282 . 1 1 23 23 ILE CB C 13 38.546 0.027 . 1 . . . . 23 ILE CB . 18587 1 283 . 1 1 23 23 ILE CG2 C 13 21.605 0.000 . 1 . . . . 23 ILE CG2 . 18587 1 284 . 1 1 23 23 ILE CD1 C 13 14.666 0.003 . 1 . . . . 23 ILE CD1 . 18587 1 285 . 1 1 23 23 ILE N N 15 128.128 0.08 . 1 . . . . 23 ILE N . 18587 1 286 . 1 1 24 24 THR H H 1 8.437 0.004 . 1 . . . . 24 THR H . 18587 1 287 . 1 1 24 24 THR HA H 1 3.951 0.001 . 1 . . . . 24 THR HA . 18587 1 288 . 1 1 24 24 THR HB H 1 4.345 0.002 . 1 . . . . 24 THR HB . 18587 1 289 . 1 1 24 24 THR C C 13 173.305 0.000 . 1 . . . . 24 THR C . 18587 1 290 . 1 1 24 24 THR CA C 13 62.132 0.071 . 1 . . . . 24 THR CA . 18587 1 291 . 1 1 24 24 THR CB C 13 69.339 0.026 . 1 . . . . 24 THR CB . 18587 1 292 . 1 1 24 24 THR N N 15 123.415 0.088 . 1 . . . . 24 THR N . 18587 1 293 . 1 1 25 25 PHE H H 1 8.335 0.005 . 1 . . . . 25 PHE H . 18587 1 294 . 1 1 25 25 PHE HA H 1 4.351 0.009 . 1 . . . . 25 PHE HA . 18587 1 295 . 1 1 25 25 PHE HB2 H 1 3.038 0.009 . 2 . . . . 25 PHE HB2 . 18587 1 296 . 1 1 25 25 PHE HB3 H 1 2.926 0.019 . 2 . . . . 25 PHE HB3 . 18587 1 297 . 1 1 25 25 PHE HD1 H 1 7.096 0.021 . 3 . . . . 25 PHE QD . 18587 1 298 . 1 1 25 25 PHE HD2 H 1 7.096 0.021 . 3 . . . . 25 PHE QD . 18587 1 299 . 1 1 25 25 PHE HE1 H 1 7.31 0.008 . 3 . . . . 25 PHE QE . 18587 1 300 . 1 1 25 25 PHE HE2 H 1 7.31 0.008 . 3 . . . . 25 PHE QE . 18587 1 301 . 1 1 25 25 PHE C C 13 174.352 0.000 . 1 . . . . 25 PHE C . 18587 1 302 . 1 1 25 25 PHE CA C 13 60.21 0.113 . 1 . . . . 25 PHE CA . 18587 1 303 . 1 1 25 25 PHE CB C 13 40.459 0.086 . 1 . . . . 25 PHE CB . 18587 1 304 . 1 1 25 25 PHE CD1 C 13 131.335 0.09 . 3 . . . . 25 PHE CD1 . 18587 1 305 . 1 1 25 25 PHE CE1 C 13 132.781 0.032 . 3 . . . . 25 PHE CE1 . 18587 1 306 . 1 1 25 25 PHE N N 15 125.985 0.06 . 1 . . . . 25 PHE N . 18587 1 307 . 1 1 26 26 ALA H H 1 8.893 0.012 . 1 . . . . 26 ALA H . 18587 1 308 . 1 1 26 26 ALA HA H 1 4.922 0.008 . 1 . . . . 26 ALA HA . 18587 1 309 . 1 1 26 26 ALA HB1 H 1 1.316 0.008 . 1 . . . . 26 ALA HB . 18587 1 310 . 1 1 26 26 ALA HB2 H 1 1.316 0.008 . 1 . . . . 26 ALA HB . 18587 1 311 . 1 1 26 26 ALA HB3 H 1 1.316 0.008 . 1 . . . . 26 ALA HB . 18587 1 312 . 1 1 26 26 ALA C C 13 176.044 0.000 . 1 . . . . 26 ALA C . 18587 1 313 . 1 1 26 26 ALA CA C 13 51.363 0.123 . 1 . . . . 26 ALA CA . 18587 1 314 . 1 1 26 26 ALA CB C 13 18.11 0.093 . 1 . . . . 26 ALA CB . 18587 1 315 . 1 1 26 26 ALA N N 15 130.571 0.024 . 1 . . . . 26 ALA N . 18587 1 316 . 1 1 27 27 LEU H H 1 10.457 0.007 . 1 . . . . 27 LEU H . 18587 1 317 . 1 1 27 27 LEU HA H 1 4.674 0.008 . 1 . . . . 27 LEU HA . 18587 1 318 . 1 1 27 27 LEU HB2 H 1 1.751 0.016 . 2 . . . . 27 LEU HB2 . 18587 1 319 . 1 1 27 27 LEU HB3 H 1 1.407 0.016 . 2 . . . . 27 LEU HB3 . 18587 1 320 . 1 1 27 27 LEU HG H 1 1.797 0.018 . 1 . . . . 27 LEU HG . 18587 1 321 . 1 1 27 27 LEU HD11 H 1 0.086 0.006 . 1 . . . . 27 LEU QD1 . 18587 1 322 . 1 1 27 27 LEU HD12 H 1 0.086 0.006 . 1 . . . . 27 LEU QD1 . 18587 1 323 . 1 1 27 27 LEU HD13 H 1 0.086 0.006 . 1 . . . . 27 LEU QD1 . 18587 1 324 . 1 1 27 27 LEU HD21 H 1 0.746 0.008 . 1 . . . . 27 LEU QD2 . 18587 1 325 . 1 1 27 27 LEU HD22 H 1 0.746 0.008 . 1 . . . . 27 LEU QD2 . 18587 1 326 . 1 1 27 27 LEU HD23 H 1 0.746 0.008 . 1 . . . . 27 LEU QD2 . 18587 1 327 . 1 1 27 27 LEU C C 13 177.201 0.000 . 1 . . . . 27 LEU C . 18587 1 328 . 1 1 27 27 LEU CA C 13 55.853 0.148 . 1 . . . . 27 LEU CA . 18587 1 329 . 1 1 27 27 LEU CB C 13 45.285 0.11 . 1 . . . . 27 LEU CB . 18587 1 330 . 1 1 27 27 LEU CD1 C 13 21.265 0.017 . 2 . . . . 27 LEU CD1 . 18587 1 331 . 1 1 27 27 LEU CD2 C 13 26.13 0.016 . 2 . . . . 27 LEU CD2 . 18587 1 332 . 1 1 27 27 LEU N N 15 124.914 0.061 . 1 . . . . 27 LEU N . 18587 1 333 . 1 1 28 28 ASP H H 1 9.018 0.007 . 1 . . . . 28 ASP H . 18587 1 334 . 1 1 28 28 ASP HA H 1 4.682 0.009 . 1 . . . . 28 ASP HA . 18587 1 335 . 1 1 28 28 ASP HB2 H 1 2.995 0.008 . 2 . . . . 28 ASP HB2 . 18587 1 336 . 1 1 28 28 ASP HB3 H 1 2.618 0.012 . 2 . . . . 28 ASP HB3 . 18587 1 337 . 1 1 28 28 ASP C C 13 175.447 0.000 . 1 . . . . 28 ASP C . 18587 1 338 . 1 1 28 28 ASP CA C 13 54.686 0.085 . 1 . . . . 28 ASP CA . 18587 1 339 . 1 1 28 28 ASP CB C 13 45.596 0.054 . 1 . . . . 28 ASP CB . 18587 1 340 . 1 1 28 28 ASP N N 15 119.44 0.056 . 1 . . . . 28 ASP N . 18587 1 341 . 1 1 29 29 ALA H H 1 9.214 0.006 . 1 . . . . 29 ALA H . 18587 1 342 . 1 1 29 29 ALA HA H 1 4.226 0.005 . 1 . . . . 29 ALA HA . 18587 1 343 . 1 1 29 29 ALA HB1 H 1 1.541 0.006 . 1 . . . . 29 ALA HB . 18587 1 344 . 1 1 29 29 ALA HB2 H 1 1.541 0.006 . 1 . . . . 29 ALA HB . 18587 1 345 . 1 1 29 29 ALA HB3 H 1 1.541 0.006 . 1 . . . . 29 ALA HB . 18587 1 346 . 1 1 29 29 ALA C C 13 179.194 0.000 . 1 . . . . 29 ALA C . 18587 1 347 . 1 1 29 29 ALA CA C 13 55.328 0.109 . 1 . . . . 29 ALA CA . 18587 1 348 . 1 1 29 29 ALA CB C 13 18.385 0.123 . 1 . . . . 29 ALA CB . 18587 1 349 . 1 1 29 29 ALA N N 15 131.247 0.051 . 1 . . . . 29 ALA N . 18587 1 350 . 1 1 30 30 THR H H 1 8.865 0.006 . 1 . . . . 30 THR H . 18587 1 351 . 1 1 30 30 THR HA H 1 3.815 0.011 . 1 . . . . 30 THR HA . 18587 1 352 . 1 1 30 30 THR HB H 1 3.479 0.009 . 1 . . . . 30 THR HB . 18587 1 353 . 1 1 30 30 THR HG21 H 1 0.407 0.007 . 1 . . . . 30 THR QG2 . 18587 1 354 . 1 1 30 30 THR HG22 H 1 0.407 0.007 . 1 . . . . 30 THR QG2 . 18587 1 355 . 1 1 30 30 THR HG23 H 1 0.407 0.007 . 1 . . . . 30 THR QG2 . 18587 1 356 . 1 1 30 30 THR C C 13 175.033 0.000 . 1 . . . . 30 THR C . 18587 1 357 . 1 1 30 30 THR CA C 13 65.889 0.09 . 1 . . . . 30 THR CA . 18587 1 358 . 1 1 30 30 THR CB C 13 68.184 0.083 . 1 . . . . 30 THR CB . 18587 1 359 . 1 1 30 30 THR CG2 C 13 21.587 0.019 . 1 . . . . 30 THR CG2 . 18587 1 360 . 1 1 30 30 THR N N 15 115.277 0.07 . 1 . . . . 30 THR N . 18587 1 361 . 1 1 31 31 PHE H H 1 7.885 0.005 . 1 . . . . 31 PHE H . 18587 1 362 . 1 1 31 31 PHE HA H 1 4.719 0.011 . 1 . . . . 31 PHE HA . 18587 1 363 . 1 1 31 31 PHE HB2 H 1 3.195 0.011 . 2 . . . . 31 PHE HB2 . 18587 1 364 . 1 1 31 31 PHE HB3 H 1 2.407 0.013 . 2 . . . . 31 PHE HB3 . 18587 1 365 . 1 1 31 31 PHE HD1 H 1 7.047 0.015 . 3 . . . . 31 PHE QD . 18587 1 366 . 1 1 31 31 PHE HD2 H 1 7.047 0.015 . 3 . . . . 31 PHE QD . 18587 1 367 . 1 1 31 31 PHE HE1 H 1 7.335 0.007 . 3 . . . . 31 PHE QE . 18587 1 368 . 1 1 31 31 PHE HE2 H 1 7.335 0.007 . 3 . . . . 31 PHE QE . 18587 1 369 . 1 1 31 31 PHE C C 13 176.215 0.000 . 1 . . . . 31 PHE C . 18587 1 370 . 1 1 31 31 PHE CA C 13 58.891 0.084 . 1 . . . . 31 PHE CA . 18587 1 371 . 1 1 31 31 PHE CB C 13 41.772 0.053 . 1 . . . . 31 PHE CB . 18587 1 372 . 1 1 31 31 PHE CD1 C 13 131.894 0.051 . 3 . . . . 31 PHE CD1 . 18587 1 373 . 1 1 31 31 PHE CE1 C 13 129.55 0.076 . 3 . . . . 31 PHE CE1 . 18587 1 374 . 1 1 31 31 PHE N N 15 115.406 0.042 . 1 . . . . 31 PHE N . 18587 1 375 . 1 1 32 32 ASP H H 1 8.732 0.005 . 1 . . . . 32 ASP H . 18587 1 376 . 1 1 32 32 ASP HA H 1 4.405 0.014 . 1 . . . . 32 ASP HA . 18587 1 377 . 1 1 32 32 ASP HB2 H 1 1.728 0.000 . 2 . . . . 32 ASP HB2 . 18587 1 378 . 1 1 32 32 ASP HB3 H 1 1.835 0.004 . 2 . . . . 32 ASP HB3 . 18587 1 379 . 1 1 32 32 ASP C C 13 178.787 0.000 . 1 . . . . 32 ASP C . 18587 1 380 . 1 1 32 32 ASP CA C 13 59.631 0.142 . 1 . . . . 32 ASP CA . 18587 1 381 . 1 1 32 32 ASP CB C 13 40.627 0.076 . 1 . . . . 32 ASP CB . 18587 1 382 . 1 1 32 32 ASP N N 15 124.151 0.07 . 1 . . . . 32 ASP N . 18587 1 383 . 1 1 33 33 SER H H 1 8.685 0.003 . 1 . . . . 33 SER H . 18587 1 384 . 1 1 33 33 SER HA H 1 4.208 0.000 . 1 . . . . 33 SER HA . 18587 1 385 . 1 1 33 33 SER HB2 H 1 4.024 0.018 . 2 . . . . 33 SER HB2 . 18587 1 386 . 1 1 33 33 SER HB3 H 1 3.954 0.002 . 2 . . . . 33 SER HB3 . 18587 1 387 . 1 1 33 33 SER C C 13 177.232 0.000 . 1 . . . . 33 SER C . 18587 1 388 . 1 1 33 33 SER CA C 13 61.503 0.031 . 1 . . . . 33 SER CA . 18587 1 389 . 1 1 33 33 SER CB C 13 62.776 0.056 . 1 . . . . 33 SER CB . 18587 1 390 . 1 1 33 33 SER N N 15 113.948 0.045 . 1 . . . . 33 SER N . 18587 1 391 . 1 1 34 34 VAL H H 1 7.377 0.006 . 1 . . . . 34 VAL H . 18587 1 392 . 1 1 34 34 VAL HA H 1 3.794 0.01 . 1 . . . . 34 VAL HA . 18587 1 393 . 1 1 34 34 VAL HB H 1 2.364 0.003 . 1 . . . . 34 VAL HB . 18587 1 394 . 1 1 34 34 VAL HG11 H 1 1.136 0.008 . 1 . . . . 34 VAL QG1 . 18587 1 395 . 1 1 34 34 VAL HG12 H 1 1.136 0.008 . 1 . . . . 34 VAL QG1 . 18587 1 396 . 1 1 34 34 VAL HG13 H 1 1.136 0.008 . 1 . . . . 34 VAL QG1 . 18587 1 397 . 1 1 34 34 VAL HG21 H 1 0.968 0.012 . 1 . . . . 34 VAL QG2 . 18587 1 398 . 1 1 34 34 VAL HG22 H 1 0.968 0.012 . 1 . . . . 34 VAL QG2 . 18587 1 399 . 1 1 34 34 VAL HG23 H 1 0.968 0.012 . 1 . . . . 34 VAL QG2 . 18587 1 400 . 1 1 34 34 VAL C C 13 179.048 0.000 . 1 . . . . 34 VAL C . 18587 1 401 . 1 1 34 34 VAL CA C 13 65.759 0.069 . 1 . . . . 34 VAL CA . 18587 1 402 . 1 1 34 34 VAL CB C 13 32.222 0.106 . 1 . . . . 34 VAL CB . 18587 1 403 . 1 1 34 34 VAL CG1 C 13 22.011 0.028 . 2 . . . . 34 VAL CG1 . 18587 1 404 . 1 1 34 34 VAL CG2 C 13 20.26 0.049 . 2 . . . . 34 VAL CG2 . 18587 1 405 . 1 1 34 34 VAL N N 15 124.03 0.029 . 1 . . . . 34 VAL N . 18587 1 406 . 1 1 35 35 LEU H H 1 8.249 0.007 . 1 . . . . 35 LEU H . 18587 1 407 . 1 1 35 35 LEU HA H 1 3.978 0.011 . 1 . . . . 35 LEU HA . 18587 1 408 . 1 1 35 35 LEU HB2 H 1 1.397 0.006 . 2 . . . . 35 LEU QB . 18587 1 409 . 1 1 35 35 LEU HB3 H 1 1.397 0.006 . 2 . . . . 35 LEU QB . 18587 1 410 . 1 1 35 35 LEU HD11 H 1 0.42 0.009 . 1 . . . . 35 LEU QQD . 18587 1 411 . 1 1 35 35 LEU HD12 H 1 0.42 0.009 . 1 . . . . 35 LEU QQD . 18587 1 412 . 1 1 35 35 LEU HD13 H 1 0.42 0.009 . 1 . . . . 35 LEU QQD . 18587 1 413 . 1 1 35 35 LEU HD21 H 1 0.42 0.009 . 1 . . . . 35 LEU QQD . 18587 1 414 . 1 1 35 35 LEU HD22 H 1 0.42 0.009 . 1 . . . . 35 LEU QQD . 18587 1 415 . 1 1 35 35 LEU HD23 H 1 0.42 0.009 . 1 . . . . 35 LEU QQD . 18587 1 416 . 1 1 35 35 LEU C C 13 178.556 0.000 . 1 . . . . 35 LEU C . 18587 1 417 . 1 1 35 35 LEU CA C 13 57.136 0.04 . 1 . . . . 35 LEU CA . 18587 1 418 . 1 1 35 35 LEU CB C 13 40.703 0.058 . 1 . . . . 35 LEU CB . 18587 1 419 . 1 1 35 35 LEU N N 15 120.128 0.053 . 1 . . . . 35 LEU N . 18587 1 420 . 1 1 36 36 SER H H 1 8.604 0.006 . 1 . . . . 36 SER H . 18587 1 421 . 1 1 36 36 SER HB2 H 1 4.318 0.008 . 2 . . . . 36 SER HB2 . 18587 1 422 . 1 1 36 36 SER HB3 H 1 4.271 0.002 . 2 . . . . 36 SER HB3 . 18587 1 423 . 1 1 36 36 SER C C 13 175.944 0.000 . 1 . . . . 36 SER C . 18587 1 424 . 1 1 36 36 SER CA C 13 62.009 0.074 . 1 . . . . 36 SER CA . 18587 1 425 . 1 1 36 36 SER CB C 13 63.321 0.049 . 1 . . . . 36 SER CB . 18587 1 426 . 1 1 36 36 SER N N 15 113.369 0.085 . 1 . . . . 36 SER N . 18587 1 427 . 1 1 37 37 LYS H H 1 7.386 0.004 . 1 . . . . 37 LYS H . 18587 1 428 . 1 1 37 37 LYS HA H 1 4.344 0.007 . 1 . . . . 37 LYS HA . 18587 1 429 . 1 1 37 37 LYS HB2 H 1 1.942 0.006 . 2 . . . . 37 LYS HB2 . 18587 1 430 . 1 1 37 37 LYS HB3 H 1 1.921 0.004 . 2 . . . . 37 LYS HB3 . 18587 1 431 . 1 1 37 37 LYS HG2 H 1 1.497 0.003 . 2 . . . . 37 LYS QG . 18587 1 432 . 1 1 37 37 LYS HG3 H 1 1.497 0.003 . 2 . . . . 37 LYS QG . 18587 1 433 . 1 1 37 37 LYS HD2 H 1 1.59 0.01 . 2 . . . . 37 LYS HD2 . 18587 1 434 . 1 1 37 37 LYS HD3 H 1 1.576 0.000 . 2 . . . . 37 LYS HD3 . 18587 1 435 . 1 1 37 37 LYS HE2 H 1 3.178 0.003 . 2 . . . . 37 LYS QE . 18587 1 436 . 1 1 37 37 LYS HE3 H 1 3.178 0.003 . 2 . . . . 37 LYS QE . 18587 1 437 . 1 1 37 37 LYS C C 13 177.903 0.000 . 1 . . . . 37 LYS C . 18587 1 438 . 1 1 37 37 LYS CA C 13 57.865 0.149 . 1 . . . . 37 LYS CA . 18587 1 439 . 1 1 37 37 LYS CB C 13 33.279 0.123 . 1 . . . . 37 LYS CB . 18587 1 440 . 1 1 37 37 LYS CD C 13 27.213 0.023 . 1 . . . . 37 LYS CD . 18587 1 441 . 1 1 37 37 LYS N N 15 118.469 0.042 . 1 . . . . 37 LYS N . 18587 1 442 . 1 1 38 38 ALA H H 1 8.037 0.004 . 1 . . . . 38 ALA H . 18587 1 443 . 1 1 38 38 ALA HA H 1 4.418 0.006 . 1 . . . . 38 ALA HA . 18587 1 444 . 1 1 38 38 ALA HB1 H 1 1.508 0.007 . 1 . . . . 38 ALA HB . 18587 1 445 . 1 1 38 38 ALA HB2 H 1 1.508 0.007 . 1 . . . . 38 ALA HB . 18587 1 446 . 1 1 38 38 ALA HB3 H 1 1.508 0.007 . 1 . . . . 38 ALA HB . 18587 1 447 . 1 1 38 38 ALA C C 13 179.112 0.000 . 1 . . . . 38 ALA C . 18587 1 448 . 1 1 38 38 ALA CA C 13 54.353 0.099 . 1 . . . . 38 ALA CA . 18587 1 449 . 1 1 38 38 ALA CB C 13 21.626 0.138 . 1 . . . . 38 ALA CB . 18587 1 450 . 1 1 38 38 ALA N N 15 120.146 0.054 . 1 . . . . 38 ALA N . 18587 1 451 . 1 1 39 39 CYS H H 1 8.834 0.005 . 1 . . . . 39 CYS H . 18587 1 452 . 1 1 39 39 CYS HA H 1 4.919 0.006 . 1 . . . . 39 CYS HA . 18587 1 453 . 1 1 39 39 CYS HB2 H 1 3.11 0.008 . 2 . . . . 39 CYS HB2 . 18587 1 454 . 1 1 39 39 CYS HB3 H 1 2.628 0.007 . 2 . . . . 39 CYS HB3 . 18587 1 455 . 1 1 39 39 CYS HG H 1 2.929 0.000 . 1 . . . . 39 CYS HG . 18587 1 456 . 1 1 39 39 CYS C C 13 171.787 0.000 . 1 . . . . 39 CYS C . 18587 1 457 . 1 1 39 39 CYS CA C 13 55.144 0.105 . 1 . . . . 39 CYS CA . 18587 1 458 . 1 1 39 39 CYS CB C 13 27.94 0.052 . 1 . . . . 39 CYS CB . 18587 1 459 . 1 1 39 39 CYS N N 15 115.599 0.04 . 1 . . . . 39 CYS N . 18587 1 460 . 1 1 40 40 SER H H 1 7.852 0.003 . 1 . . . . 40 SER H . 18587 1 461 . 1 1 40 40 SER HA H 1 4.898 0.012 . 1 . . . . 40 SER HA . 18587 1 462 . 1 1 40 40 SER HB2 H 1 4.153 0.007 . 2 . . . . 40 SER QB . 18587 1 463 . 1 1 40 40 SER HB3 H 1 4.153 0.007 . 2 . . . . 40 SER QB . 18587 1 464 . 1 1 40 40 SER C C 13 174.413 0.000 . 1 . . . . 40 SER C . 18587 1 465 . 1 1 40 40 SER CA C 13 58.457 0.132 . 1 . . . . 40 SER CA . 18587 1 466 . 1 1 40 40 SER CB C 13 65.941 0.117 . 1 . . . . 40 SER CB . 18587 1 467 . 1 1 40 40 SER N N 15 109.028 0.043 . 1 . . . . 40 SER N . 18587 1 468 . 1 1 41 41 GLU H H 1 7.431 0.005 . 1 . . . . 41 GLU H . 18587 1 469 . 1 1 41 41 GLU HA H 1 5.162 0.013 . 1 . . . . 41 GLU HA . 18587 1 470 . 1 1 41 41 GLU HB2 H 1 2.002 0.007 . 2 . . . . 41 GLU HB2 . 18587 1 471 . 1 1 41 41 GLU HB3 H 1 1.783 0.012 . 2 . . . . 41 GLU HB3 . 18587 1 472 . 1 1 41 41 GLU HG2 H 1 2.203 0.004 . 2 . . . . 41 GLU QG . 18587 1 473 . 1 1 41 41 GLU HG3 H 1 2.203 0.004 . 2 . . . . 41 GLU QG . 18587 1 474 . 1 1 41 41 GLU C C 13 175.074 0.000 . 1 . . . . 41 GLU C . 18587 1 475 . 1 1 41 41 GLU CA C 13 55.505 0.142 . 1 . . . . 41 GLU CA . 18587 1 476 . 1 1 41 41 GLU CB C 13 31.949 0.124 . 1 . . . . 41 GLU CB . 18587 1 477 . 1 1 41 41 GLU CG C 13 36.946 0.02 . 1 . . . . 41 GLU CG . 18587 1 478 . 1 1 41 41 GLU N N 15 120.288 0.055 . 1 . . . . 41 GLU N . 18587 1 479 . 1 1 42 42 PHE H H 1 8.945 0.004 . 1 . . . . 42 PHE H . 18587 1 480 . 1 1 42 42 PHE HA H 1 4.566 0.013 . 1 . . . . 42 PHE HA . 18587 1 481 . 1 1 42 42 PHE HB2 H 1 2.616 0.000 . 2 . . . . 42 PHE QB . 18587 1 482 . 1 1 42 42 PHE HB3 H 1 2.616 0.000 . 2 . . . . 42 PHE QB . 18587 1 483 . 1 1 42 42 PHE HD1 H 1 7.031 0.039 . 3 . . . . 42 PHE QD . 18587 1 484 . 1 1 42 42 PHE HD2 H 1 7.031 0.039 . 3 . . . . 42 PHE QD . 18587 1 485 . 1 1 42 42 PHE C C 13 173.934 0.000 . 1 . . . . 42 PHE C . 18587 1 486 . 1 1 42 42 PHE CA C 13 57.291 0.11 . 1 . . . . 42 PHE CA . 18587 1 487 . 1 1 42 42 PHE CB C 13 42.591 0.073 . 1 . . . . 42 PHE CB . 18587 1 488 . 1 1 42 42 PHE CD1 C 13 131.595 0.016 . 3 . . . . 42 PHE CD1 . 18587 1 489 . 1 1 42 42 PHE N N 15 122.891 0.052 . 1 . . . . 42 PHE N . 18587 1 490 . 1 1 43 43 GLU H H 1 8.864 0.005 . 1 . . . . 43 GLU H . 18587 1 491 . 1 1 43 43 GLU HA H 1 5.175 0.003 . 1 . . . . 43 GLU HA . 18587 1 492 . 1 1 43 43 GLU HB2 H 1 2 0.014 . 2 . . . . 43 GLU QB . 18587 1 493 . 1 1 43 43 GLU HB3 H 1 2 0.014 . 2 . . . . 43 GLU QB . 18587 1 494 . 1 1 43 43 GLU C C 13 175.699 0.000 . 1 . . . . 43 GLU C . 18587 1 495 . 1 1 43 43 GLU CA C 13 55.47 0.109 . 1 . . . . 43 GLU CA . 18587 1 496 . 1 1 43 43 GLU CB C 13 30.629 0.114 . 1 . . . . 43 GLU CB . 18587 1 497 . 1 1 43 43 GLU N N 15 125.231 0.043 . 1 . . . . 43 GLU N . 18587 1 498 . 1 1 44 44 VAL H H 1 8.742 0.007 . 1 . . . . 44 VAL H . 18587 1 499 . 1 1 44 44 VAL HA H 1 4.852 0.012 . 1 . . . . 44 VAL HA . 18587 1 500 . 1 1 44 44 VAL HB H 1 2.292 0.007 . 1 . . . . 44 VAL HB . 18587 1 501 . 1 1 44 44 VAL HG11 H 1 0.899 0.007 . 1 . . . . 44 VAL QG1 . 18587 1 502 . 1 1 44 44 VAL HG12 H 1 0.899 0.007 . 1 . . . . 44 VAL QG1 . 18587 1 503 . 1 1 44 44 VAL HG13 H 1 0.899 0.007 . 1 . . . . 44 VAL QG1 . 18587 1 504 . 1 1 44 44 VAL HG21 H 1 0.732 0.003 . 1 . . . . 44 VAL QG2 . 18587 1 505 . 1 1 44 44 VAL HG22 H 1 0.732 0.003 . 1 . . . . 44 VAL QG2 . 18587 1 506 . 1 1 44 44 VAL HG23 H 1 0.732 0.003 . 1 . . . . 44 VAL QG2 . 18587 1 507 . 1 1 44 44 VAL C C 13 174.49 0.000 . 1 . . . . 44 VAL C . 18587 1 508 . 1 1 44 44 VAL CA C 13 58.267 0.092 . 1 . . . . 44 VAL CA . 18587 1 509 . 1 1 44 44 VAL CB C 13 36.006 0.074 . 1 . . . . 44 VAL CB . 18587 1 510 . 1 1 44 44 VAL CG1 C 13 22.258 0.044 . 2 . . . . 44 VAL CG1 . 18587 1 511 . 1 1 44 44 VAL CG2 C 13 19.211 0.048 . 2 . . . . 44 VAL CG2 . 18587 1 512 . 1 1 44 44 VAL N N 15 118.429 0.029 . 1 . . . . 44 VAL N . 18587 1 513 . 1 1 45 45 ASP H H 1 8.656 0.003 . 1 . . . . 45 ASP H . 18587 1 514 . 1 1 45 45 ASP HA H 1 4.518 0.013 . 1 . . . . 45 ASP HA . 18587 1 515 . 1 1 45 45 ASP HB2 H 1 2.658 0.013 . 2 . . . . 45 ASP HB2 . 18587 1 516 . 1 1 45 45 ASP HB3 H 1 2.614 0.01 . 2 . . . . 45 ASP HB3 . 18587 1 517 . 1 1 45 45 ASP C C 13 177.115 0.000 . 1 . . . . 45 ASP C . 18587 1 518 . 1 1 45 45 ASP CA C 13 55.355 0.217 . 1 . . . . 45 ASP CA . 18587 1 519 . 1 1 45 45 ASP CB C 13 42.694 0.055 . 1 . . . . 45 ASP CB . 18587 1 520 . 1 1 45 45 ASP N N 15 121.521 0.047 . 1 . . . . 45 ASP N . 18587 1 521 . 1 1 46 46 LYS H H 1 8.267 0.005 . 1 . . . . 46 LYS H . 18587 1 522 . 1 1 46 46 LYS HA H 1 3.784 0.006 . 1 . . . . 46 LYS HA . 18587 1 523 . 1 1 46 46 LYS HB2 H 1 1.746 0.002 . 2 . . . . 46 LYS HB2 . 18587 1 524 . 1 1 46 46 LYS HB3 H 1 1.64 0.004 . 2 . . . . 46 LYS HB3 . 18587 1 525 . 1 1 46 46 LYS HG2 H 1 1.341 0.000 . 2 . . . . 46 LYS QG . 18587 1 526 . 1 1 46 46 LYS HG3 H 1 1.341 0.000 . 2 . . . . 46 LYS QG . 18587 1 527 . 1 1 46 46 LYS HE2 H 1 3.092 0.000 . 2 . . . . 46 LYS QE . 18587 1 528 . 1 1 46 46 LYS HE3 H 1 3.092 0.000 . 2 . . . . 46 LYS QE . 18587 1 529 . 1 1 46 46 LYS C C 13 176.83 0.000 . 1 . . . . 46 LYS C . 18587 1 530 . 1 1 46 46 LYS CA C 13 59.296 0.091 . 1 . . . . 46 LYS CA . 18587 1 531 . 1 1 46 46 LYS CB C 13 32.107 0.086 . 1 . . . . 46 LYS CB . 18587 1 532 . 1 1 46 46 LYS N N 15 121.828 0.078 . 1 . . . . 46 LYS N . 18587 1 533 . 1 1 47 47 ASP H H 1 8.632 0.003 . 1 . . . . 47 ASP H . 18587 1 534 . 1 1 47 47 ASP HA H 1 4.832 0.009 . 1 . . . . 47 ASP HA . 18587 1 535 . 1 1 47 47 ASP HB2 H 1 2.863 0.011 . 2 . . . . 47 ASP HB2 . 18587 1 536 . 1 1 47 47 ASP HB3 H 1 2.566 0.011 . 2 . . . . 47 ASP HB3 . 18587 1 537 . 1 1 47 47 ASP C C 13 176.085 0.000 . 1 . . . . 47 ASP C . 18587 1 538 . 1 1 47 47 ASP CA C 13 53.959 0.071 . 1 . . . . 47 ASP CA . 18587 1 539 . 1 1 47 47 ASP CB C 13 40.576 0.064 . 1 . . . . 47 ASP CB . 18587 1 540 . 1 1 47 47 ASP N N 15 118.668 0.037 . 1 . . . . 47 ASP N . 18587 1 541 . 1 1 48 48 VAL H H 1 7.369 0.005 . 1 . . . . 48 VAL H . 18587 1 542 . 1 1 48 48 VAL HA H 1 4.159 0.008 . 1 . . . . 48 VAL HA . 18587 1 543 . 1 1 48 48 VAL HB H 1 2.366 0.018 . 1 . . . . 48 VAL HB . 18587 1 544 . 1 1 48 48 VAL HG11 H 1 0.887 0.011 . 1 . . . . 48 VAL QQG . 18587 1 545 . 1 1 48 48 VAL HG12 H 1 0.887 0.011 . 1 . . . . 48 VAL QQG . 18587 1 546 . 1 1 48 48 VAL HG13 H 1 0.887 0.011 . 1 . . . . 48 VAL QQG . 18587 1 547 . 1 1 48 48 VAL HG21 H 1 0.887 0.011 . 1 . . . . 48 VAL QQG . 18587 1 548 . 1 1 48 48 VAL HG22 H 1 0.887 0.011 . 1 . . . . 48 VAL QQG . 18587 1 549 . 1 1 48 48 VAL HG23 H 1 0.887 0.011 . 1 . . . . 48 VAL QQG . 18587 1 550 . 1 1 48 48 VAL C C 13 174.578 0.000 . 1 . . . . 48 VAL C . 18587 1 551 . 1 1 48 48 VAL CA C 13 62.783 0.089 . 1 . . . . 48 VAL CA . 18587 1 552 . 1 1 48 48 VAL CB C 13 32.285 0.136 . 1 . . . . 48 VAL CB . 18587 1 553 . 1 1 48 48 VAL N N 15 121.337 0.056 . 1 . . . . 48 VAL N . 18587 1 554 . 1 1 49 49 THR H H 1 7.985 0.01 . 1 . . . . 49 THR H . 18587 1 555 . 1 1 49 49 THR HA H 1 4.665 0.006 . 1 . . . . 49 THR HA . 18587 1 556 . 1 1 49 49 THR HB H 1 4.664 0.006 . 1 . . . . 49 THR HB . 18587 1 557 . 1 1 49 49 THR HG21 H 1 1.322 0.003 . 1 . . . . 49 THR QG2 . 18587 1 558 . 1 1 49 49 THR HG22 H 1 1.322 0.003 . 1 . . . . 49 THR QG2 . 18587 1 559 . 1 1 49 49 THR HG23 H 1 1.322 0.003 . 1 . . . . 49 THR QG2 . 18587 1 560 . 1 1 49 49 THR C C 13 175.881 0.000 . 1 . . . . 49 THR C . 18587 1 561 . 1 1 49 49 THR CA C 13 59.927 0.109 . 1 . . . . 49 THR CA . 18587 1 562 . 1 1 49 49 THR CB C 13 71.449 0.139 . 1 . . . . 49 THR CB . 18587 1 563 . 1 1 49 49 THR CG2 C 13 25.117 0.04 . 1 . . . . 49 THR CG2 . 18587 1 564 . 1 1 49 49 THR N N 15 115.526 0.038 . 1 . . . . 49 THR N . 18587 1 565 . 1 1 50 50 LEU H H 1 8.907 0.004 . 1 . . . . 50 LEU H . 18587 1 566 . 1 1 50 50 LEU HA H 1 3.828 0.005 . 1 . . . . 50 LEU HA . 18587 1 567 . 1 1 50 50 LEU HB2 H 1 1.819 0.008 . 2 . . . . 50 LEU HB2 . 18587 1 568 . 1 1 50 50 LEU HB3 H 1 1.588 0.008 . 2 . . . . 50 LEU HB3 . 18587 1 569 . 1 1 50 50 LEU HG H 1 1.682 0.005 . 1 . . . . 50 LEU HG . 18587 1 570 . 1 1 50 50 LEU HD11 H 1 0.881 0.009 . 1 . . . . 50 LEU QD1 . 18587 1 571 . 1 1 50 50 LEU HD12 H 1 0.881 0.009 . 1 . . . . 50 LEU QD1 . 18587 1 572 . 1 1 50 50 LEU HD13 H 1 0.881 0.009 . 1 . . . . 50 LEU QD1 . 18587 1 573 . 1 1 50 50 LEU HD21 H 1 0.836 0.009 . 1 . . . . 50 LEU QD2 . 18587 1 574 . 1 1 50 50 LEU HD22 H 1 0.836 0.009 . 1 . . . . 50 LEU QD2 . 18587 1 575 . 1 1 50 50 LEU HD23 H 1 0.836 0.009 . 1 . . . . 50 LEU QD2 . 18587 1 576 . 1 1 50 50 LEU C C 13 178.303 0.000 . 1 . . . . 50 LEU C . 18587 1 577 . 1 1 50 50 LEU CA C 13 58.86 0.081 . 1 . . . . 50 LEU CA . 18587 1 578 . 1 1 50 50 LEU CB C 13 41.986 0.056 . 1 . . . . 50 LEU CB . 18587 1 579 . 1 1 50 50 LEU CG C 13 27.415 0.035 . 1 . . . . 50 LEU CG . 18587 1 580 . 1 1 50 50 LEU CD2 C 13 25.085 0.034 . 2 . . . . 50 LEU CD2 . 18587 1 581 . 1 1 50 50 LEU N N 15 122.41 0.057 . 1 . . . . 50 LEU N . 18587 1 582 . 1 1 51 51 ASP H H 1 8.231 0.004 . 1 . . . . 51 ASP H . 18587 1 583 . 1 1 51 51 ASP HA H 1 4.274 0.009 . 1 . . . . 51 ASP HA . 18587 1 584 . 1 1 51 51 ASP HB2 H 1 2.651 0.011 . 2 . . . . 51 ASP HB2 . 18587 1 585 . 1 1 51 51 ASP HB3 H 1 2.505 0.007 . 2 . . . . 51 ASP HB3 . 18587 1 586 . 1 1 51 51 ASP C C 13 178.521 0.000 . 1 . . . . 51 ASP C . 18587 1 587 . 1 1 51 51 ASP CA C 13 56.991 0.086 . 1 . . . . 51 ASP CA . 18587 1 588 . 1 1 51 51 ASP CB C 13 40.437 0.07 . 1 . . . . 51 ASP CB . 18587 1 589 . 1 1 51 51 ASP N N 15 115.477 0.033 . 1 . . . . 51 ASP N . 18587 1 590 . 1 1 52 52 GLU H H 1 7.366 0.007 . 1 . . . . 52 GLU H . 18587 1 591 . 1 1 52 52 GLU HA H 1 4.042 0.009 . 1 . . . . 52 GLU HA . 18587 1 592 . 1 1 52 52 GLU HB2 H 1 2.255 0.009 . 2 . . . . 52 GLU HB2 . 18587 1 593 . 1 1 52 52 GLU HB3 H 1 1.899 0.015 . 2 . . . . 52 GLU HB3 . 18587 1 594 . 1 1 52 52 GLU HG2 H 1 2.264 0.017 . 2 . . . . 52 GLU QG . 18587 1 595 . 1 1 52 52 GLU HG3 H 1 2.264 0.017 . 2 . . . . 52 GLU QG . 18587 1 596 . 1 1 52 52 GLU C C 13 180.06 0.000 . 1 . . . . 52 GLU C . 18587 1 597 . 1 1 52 52 GLU CA C 13 58.457 0.069 . 1 . . . . 52 GLU CA . 18587 1 598 . 1 1 52 52 GLU CB C 13 30.237 0.109 . 1 . . . . 52 GLU CB . 18587 1 599 . 1 1 52 52 GLU N N 15 119.726 0.061 . 1 . . . . 52 GLU N . 18587 1 600 . 1 1 53 53 LEU H H 1 7.963 0.003 . 1 . . . . 53 LEU H . 18587 1 601 . 1 1 53 53 LEU HA H 1 3.883 0.009 . 1 . . . . 53 LEU HA . 18587 1 602 . 1 1 53 53 LEU HB2 H 1 1.903 0.000 . 2 . . . . 53 LEU QB . 18587 1 603 . 1 1 53 53 LEU HB3 H 1 1.903 0.000 . 2 . . . . 53 LEU QB . 18587 1 604 . 1 1 53 53 LEU HD11 H 1 0.639 0.015 . 1 . . . . 53 LEU QQD . 18587 1 605 . 1 1 53 53 LEU HD12 H 1 0.639 0.015 . 1 . . . . 53 LEU QQD . 18587 1 606 . 1 1 53 53 LEU HD13 H 1 0.639 0.015 . 1 . . . . 53 LEU QQD . 18587 1 607 . 1 1 53 53 LEU HD21 H 1 0.639 0.015 . 1 . . . . 53 LEU QQD . 18587 1 608 . 1 1 53 53 LEU HD22 H 1 0.639 0.015 . 1 . . . . 53 LEU QQD . 18587 1 609 . 1 1 53 53 LEU HD23 H 1 0.639 0.015 . 1 . . . . 53 LEU QQD . 18587 1 610 . 1 1 53 53 LEU C C 13 177.564 0.000 . 1 . . . . 53 LEU C . 18587 1 611 . 1 1 53 53 LEU CA C 13 57.332 0.154 . 1 . . . . 53 LEU CA . 18587 1 612 . 1 1 53 53 LEU CB C 13 41.197 0.074 . 1 . . . . 53 LEU CB . 18587 1 613 . 1 1 53 53 LEU CD1 C 13 22.181 0.013 . 2 . . . . 53 LEU CD1 . 18587 1 614 . 1 1 53 53 LEU N N 15 119.428 0.051 . 1 . . . . 53 LEU N . 18587 1 615 . 1 1 54 54 LEU H H 1 8.3 0.007 . 1 . . . . 54 LEU H . 18587 1 616 . 1 1 54 54 LEU HA H 1 3.958 0.007 . 1 . . . . 54 LEU HA . 18587 1 617 . 1 1 54 54 LEU HB2 H 1 1.469 0.018 . 2 . . . . 54 LEU QB . 18587 1 618 . 1 1 54 54 LEU HB3 H 1 1.469 0.018 . 2 . . . . 54 LEU QB . 18587 1 619 . 1 1 54 54 LEU HG H 1 1.917 0.000 . 1 . . . . 54 LEU HG . 18587 1 620 . 1 1 54 54 LEU HD11 H 1 0.784 0.003 . 1 . . . . 54 LEU QQD . 18587 1 621 . 1 1 54 54 LEU HD12 H 1 0.784 0.003 . 1 . . . . 54 LEU QQD . 18587 1 622 . 1 1 54 54 LEU HD13 H 1 0.784 0.003 . 1 . . . . 54 LEU QQD . 18587 1 623 . 1 1 54 54 LEU HD21 H 1 0.784 0.003 . 1 . . . . 54 LEU QQD . 18587 1 624 . 1 1 54 54 LEU HD22 H 1 0.784 0.003 . 1 . . . . 54 LEU QQD . 18587 1 625 . 1 1 54 54 LEU HD23 H 1 0.784 0.003 . 1 . . . . 54 LEU QQD . 18587 1 626 . 1 1 54 54 LEU C C 13 180.337 0.000 . 1 . . . . 54 LEU C . 18587 1 627 . 1 1 54 54 LEU CA C 13 58.354 0.08 . 1 . . . . 54 LEU CA . 18587 1 628 . 1 1 54 54 LEU CB C 13 40.827 0.108 . 1 . . . . 54 LEU CB . 18587 1 629 . 1 1 54 54 LEU CD1 C 13 22.705 0.008 . 2 . . . . 54 LEU CD1 . 18587 1 630 . 1 1 54 54 LEU N N 15 118.959 0.069 . 1 . . . . 54 LEU N . 18587 1 631 . 1 1 55 55 ASP H H 1 8.26 0.004 . 1 . . . . 55 ASP H . 18587 1 632 . 1 1 55 55 ASP HA H 1 4.333 0.01 . 1 . . . . 55 ASP HA . 18587 1 633 . 1 1 55 55 ASP HB2 H 1 2.762 0.005 . 2 . . . . 55 ASP HB2 . 18587 1 634 . 1 1 55 55 ASP HB3 H 1 2.725 0.024 . 2 . . . . 55 ASP HB3 . 18587 1 635 . 1 1 55 55 ASP C C 13 178.836 0.000 . 1 . . . . 55 ASP C . 18587 1 636 . 1 1 55 55 ASP CA C 13 57.588 0.167 . 1 . . . . 55 ASP CA . 18587 1 637 . 1 1 55 55 ASP CB C 13 40.367 0.075 . 1 . . . . 55 ASP CB . 18587 1 638 . 1 1 55 55 ASP N N 15 120.035 0.054 . 1 . . . . 55 ASP N . 18587 1 639 . 1 1 56 56 VAL H H 1 7.472 0.005 . 1 . . . . 56 VAL H . 18587 1 640 . 1 1 56 56 VAL HA H 1 3.806 0.017 . 1 . . . . 56 VAL HA . 18587 1 641 . 1 1 56 56 VAL HB H 1 1.957 0.000 . 1 . . . . 56 VAL HB . 18587 1 642 . 1 1 56 56 VAL HG11 H 1 0.947 0.012 . 1 . . . . 56 VAL QQG . 18587 1 643 . 1 1 56 56 VAL HG12 H 1 0.947 0.012 . 1 . . . . 56 VAL QQG . 18587 1 644 . 1 1 56 56 VAL HG13 H 1 0.947 0.012 . 1 . . . . 56 VAL QQG . 18587 1 645 . 1 1 56 56 VAL HG21 H 1 0.947 0.012 . 1 . . . . 56 VAL QQG . 18587 1 646 . 1 1 56 56 VAL HG22 H 1 0.947 0.012 . 1 . . . . 56 VAL QQG . 18587 1 647 . 1 1 56 56 VAL HG23 H 1 0.947 0.012 . 1 . . . . 56 VAL QQG . 18587 1 648 . 1 1 56 56 VAL C C 13 179.213 0.000 . 1 . . . . 56 VAL C . 18587 1 649 . 1 1 56 56 VAL CA C 13 65.847 0.123 . 1 . . . . 56 VAL CA . 18587 1 650 . 1 1 56 56 VAL N N 15 119.563 0.035 . 1 . . . . 56 VAL N . 18587 1 651 . 1 1 57 57 VAL H H 1 8.427 0.004 . 1 . . . . 57 VAL H . 18587 1 652 . 1 1 57 57 VAL HA H 1 3.806 0.013 . 1 . . . . 57 VAL HA . 18587 1 653 . 1 1 57 57 VAL HB H 1 2.226 0.011 . 1 . . . . 57 VAL HB . 18587 1 654 . 1 1 57 57 VAL HG11 H 1 1.102 0.011 . 1 . . . . 57 VAL QQG . 18587 1 655 . 1 1 57 57 VAL HG12 H 1 1.102 0.011 . 1 . . . . 57 VAL QQG . 18587 1 656 . 1 1 57 57 VAL HG13 H 1 1.102 0.011 . 1 . . . . 57 VAL QQG . 18587 1 657 . 1 1 57 57 VAL HG21 H 1 1.102 0.011 . 1 . . . . 57 VAL QQG . 18587 1 658 . 1 1 57 57 VAL HG22 H 1 1.102 0.011 . 1 . . . . 57 VAL QQG . 18587 1 659 . 1 1 57 57 VAL HG23 H 1 1.102 0.011 . 1 . . . . 57 VAL QQG . 18587 1 660 . 1 1 57 57 VAL C C 13 178.123 0.000 . 1 . . . . 57 VAL C . 18587 1 661 . 1 1 57 57 VAL CA C 13 66.182 0.095 . 1 . . . . 57 VAL CA . 18587 1 662 . 1 1 57 57 VAL CB C 13 31.847 0.207 . 1 . . . . 57 VAL CB . 18587 1 663 . 1 1 57 57 VAL CG2 C 13 22.255 0.027 . 2 . . . . 57 VAL CG2 . 18587 1 664 . 1 1 57 57 VAL N N 15 122.77 0.067 . 1 . . . . 57 VAL N . 18587 1 665 . 1 1 58 58 LEU H H 1 8.934 0.006 . 1 . . . . 58 LEU H . 18587 1 666 . 1 1 58 58 LEU HA H 1 3.734 0.008 . 1 . . . . 58 LEU HA . 18587 1 667 . 1 1 58 58 LEU HB2 H 1 1.913 0.014 . 2 . . . . 58 LEU HB2 . 18587 1 668 . 1 1 58 58 LEU HB3 H 1 1.461 0.012 . 2 . . . . 58 LEU HB3 . 18587 1 669 . 1 1 58 58 LEU HG H 1 1.544 0.006 . 1 . . . . 58 LEU HG . 18587 1 670 . 1 1 58 58 LEU HD11 H 1 0.844 0.002 . 1 . . . . 58 LEU QD1 . 18587 1 671 . 1 1 58 58 LEU HD12 H 1 0.844 0.002 . 1 . . . . 58 LEU QD1 . 18587 1 672 . 1 1 58 58 LEU HD13 H 1 0.844 0.002 . 1 . . . . 58 LEU QD1 . 18587 1 673 . 1 1 58 58 LEU HD21 H 1 0.795 0.003 . 1 . . . . 58 LEU QD2 . 18587 1 674 . 1 1 58 58 LEU HD22 H 1 0.795 0.003 . 1 . . . . 58 LEU QD2 . 18587 1 675 . 1 1 58 58 LEU HD23 H 1 0.795 0.003 . 1 . . . . 58 LEU QD2 . 18587 1 676 . 1 1 58 58 LEU C C 13 177.615 0.000 . 1 . . . . 58 LEU C . 18587 1 677 . 1 1 58 58 LEU CA C 13 58.444 0.123 . 1 . . . . 58 LEU CA . 18587 1 678 . 1 1 58 58 LEU CB C 13 40.649 0.109 . 1 . . . . 58 LEU CB . 18587 1 679 . 1 1 58 58 LEU CD1 C 13 24.236 0.004 . 2 . . . . 58 LEU CD1 . 18587 1 680 . 1 1 58 58 LEU N N 15 118.423 0.09 . 1 . . . . 58 LEU N . 18587 1 681 . 1 1 59 59 ASP H H 1 7.183 0.009 . 1 . . . . 59 ASP H . 18587 1 682 . 1 1 59 59 ASP HA H 1 4.343 0.018 . 1 . . . . 59 ASP HA . 18587 1 683 . 1 1 59 59 ASP HB2 H 1 2.783 0.000 . 2 . . . . 59 ASP QB . 18587 1 684 . 1 1 59 59 ASP HB3 H 1 2.783 0.000 . 2 . . . . 59 ASP QB . 18587 1 685 . 1 1 59 59 ASP C C 13 178.701 0.000 . 1 . . . . 59 ASP C . 18587 1 686 . 1 1 59 59 ASP CA C 13 57.672 0.144 . 1 . . . . 59 ASP CA . 18587 1 687 . 1 1 59 59 ASP CB C 13 41.355 0.000 . 1 . . . . 59 ASP CB . 18587 1 688 . 1 1 59 59 ASP N N 15 116.713 0.036 . 1 . . . . 59 ASP N . 18587 1 689 . 1 1 60 60 ALA H H 1 7.9 0.004 . 1 . . . . 60 ALA H . 18587 1 690 . 1 1 60 60 ALA HA H 1 4.308 0.006 . 1 . . . . 60 ALA HA . 18587 1 691 . 1 1 60 60 ALA HB1 H 1 1.932 0.006 . 1 . . . . 60 ALA HB . 18587 1 692 . 1 1 60 60 ALA HB2 H 1 1.932 0.006 . 1 . . . . 60 ALA HB . 18587 1 693 . 1 1 60 60 ALA HB3 H 1 1.932 0.006 . 1 . . . . 60 ALA HB . 18587 1 694 . 1 1 60 60 ALA C C 13 181.017 0.000 . 1 . . . . 60 ALA C . 18587 1 695 . 1 1 60 60 ALA CA C 13 55.304 0.126 . 1 . . . . 60 ALA CA . 18587 1 696 . 1 1 60 60 ALA CB C 13 18.478 0.103 . 1 . . . . 60 ALA CB . 18587 1 697 . 1 1 60 60 ALA N N 15 123.801 0.064 . 1 . . . . 60 ALA N . 18587 1 698 . 1 1 61 61 VAL H H 1 8.839 0.009 . 1 . . . . 61 VAL H . 18587 1 699 . 1 1 61 61 VAL HA H 1 3.462 0.015 . 1 . . . . 61 VAL HA . 18587 1 700 . 1 1 61 61 VAL HB H 1 1.995 0.000 . 1 . . . . 61 VAL HB . 18587 1 701 . 1 1 61 61 VAL HG11 H 1 0.953 0.014 . 1 . . . . 61 VAL QQG . 18587 1 702 . 1 1 61 61 VAL HG12 H 1 0.953 0.014 . 1 . . . . 61 VAL QQG . 18587 1 703 . 1 1 61 61 VAL HG13 H 1 0.953 0.014 . 1 . . . . 61 VAL QQG . 18587 1 704 . 1 1 61 61 VAL HG21 H 1 0.953 0.014 . 1 . . . . 61 VAL QQG . 18587 1 705 . 1 1 61 61 VAL HG22 H 1 0.953 0.014 . 1 . . . . 61 VAL QQG . 18587 1 706 . 1 1 61 61 VAL HG23 H 1 0.953 0.014 . 1 . . . . 61 VAL QQG . 18587 1 707 . 1 1 61 61 VAL C C 13 178.015 0.000 . 1 . . . . 61 VAL C . 18587 1 708 . 1 1 61 61 VAL CA C 13 66.416 0.245 . 1 . . . . 61 VAL CA . 18587 1 709 . 1 1 61 61 VAL N N 15 122.476 0.069 . 1 . . . . 61 VAL N . 18587 1 710 . 1 1 62 62 GLU H H 1 8.472 0.006 . 1 . . . . 62 GLU H . 18587 1 711 . 1 1 62 62 GLU HA H 1 3.695 0.005 . 1 . . . . 62 GLU HA . 18587 1 712 . 1 1 62 62 GLU HB2 H 1 2.164 0.013 . 2 . . . . 62 GLU QB . 18587 1 713 . 1 1 62 62 GLU HB3 H 1 2.164 0.013 . 2 . . . . 62 GLU QB . 18587 1 714 . 1 1 62 62 GLU HG2 H 1 2.379 0.004 . 2 . . . . 62 GLU QG . 18587 1 715 . 1 1 62 62 GLU HG3 H 1 2.379 0.004 . 2 . . . . 62 GLU QG . 18587 1 716 . 1 1 62 62 GLU C C 13 179.4 0.000 . 1 . . . . 62 GLU C . 18587 1 717 . 1 1 62 62 GLU CA C 13 60.381 0.09 . 1 . . . . 62 GLU CA . 18587 1 718 . 1 1 62 62 GLU CB C 13 28.537 0.065 . 1 . . . . 62 GLU CB . 18587 1 719 . 1 1 62 62 GLU CG C 13 35.61 0.021 . 1 . . . . 62 GLU CG . 18587 1 720 . 1 1 62 62 GLU N N 15 119.476 0.047 . 1 . . . . 62 GLU N . 18587 1 721 . 1 1 63 63 SER H H 1 8.526 0.005 . 1 . . . . 63 SER H . 18587 1 722 . 1 1 63 63 SER HA H 1 4.207 0.014 . 1 . . . . 63 SER HA . 18587 1 723 . 1 1 63 63 SER HB2 H 1 4.062 0.005 . 2 . . . . 63 SER HB2 . 18587 1 724 . 1 1 63 63 SER HB3 H 1 4.011 0.024 . 2 . . . . 63 SER HB3 . 18587 1 725 . 1 1 63 63 SER C C 13 176.565 0.000 . 1 . . . . 63 SER C . 18587 1 726 . 1 1 63 63 SER CA C 13 61.603 0.133 . 1 . . . . 63 SER CA . 18587 1 727 . 1 1 63 63 SER CB C 13 63.194 0.000 . 1 . . . . 63 SER CB . 18587 1 728 . 1 1 63 63 SER N N 15 115.275 0.034 . 1 . . . . 63 SER N . 18587 1 729 . 1 1 64 64 THR H H 1 7.886 0.004 . 1 . . . . 64 THR H . 18587 1 730 . 1 1 64 64 THR HA H 1 3.897 0.007 . 1 . . . . 64 THR HA . 18587 1 731 . 1 1 64 64 THR HB H 1 3.98 0.068 . 1 . . . . 64 THR HB . 18587 1 732 . 1 1 64 64 THR HG21 H 1 1.004 0.004 . 1 . . . . 64 THR QG2 . 18587 1 733 . 1 1 64 64 THR HG22 H 1 1.004 0.004 . 1 . . . . 64 THR QG2 . 18587 1 734 . 1 1 64 64 THR HG23 H 1 1.004 0.004 . 1 . . . . 64 THR QG2 . 18587 1 735 . 1 1 64 64 THR C C 13 175.386 0.000 . 1 . . . . 64 THR C . 18587 1 736 . 1 1 64 64 THR CA C 13 66.493 0.068 . 1 . . . . 64 THR CA . 18587 1 737 . 1 1 64 64 THR CB C 13 68.153 0.046 . 1 . . . . 64 THR CB . 18587 1 738 . 1 1 64 64 THR N N 15 117.773 0.03 . 1 . . . . 64 THR N . 18587 1 739 . 1 1 65 65 LEU H H 1 7.812 0.006 . 1 . . . . 65 LEU H . 18587 1 740 . 1 1 65 65 LEU HA H 1 4.309 0.007 . 1 . . . . 65 LEU HA . 18587 1 741 . 1 1 65 65 LEU HB2 H 1 1.57 0.017 . 2 . . . . 65 LEU QB . 18587 1 742 . 1 1 65 65 LEU HB3 H 1 1.57 0.017 . 2 . . . . 65 LEU QB . 18587 1 743 . 1 1 65 65 LEU HG H 1 1.632 0.003 . 1 . . . . 65 LEU HG . 18587 1 744 . 1 1 65 65 LEU HD11 H 1 0.393 0.000 . 1 . . . . 65 LEU QD1 . 18587 1 745 . 1 1 65 65 LEU HD12 H 1 0.393 0.000 . 1 . . . . 65 LEU QD1 . 18587 1 746 . 1 1 65 65 LEU HD13 H 1 0.393 0.000 . 1 . . . . 65 LEU QD1 . 18587 1 747 . 1 1 65 65 LEU HD21 H 1 0.74 0.005 . 1 . . . . 65 LEU QD2 . 18587 1 748 . 1 1 65 65 LEU HD22 H 1 0.74 0.005 . 1 . . . . 65 LEU QD2 . 18587 1 749 . 1 1 65 65 LEU HD23 H 1 0.74 0.005 . 1 . . . . 65 LEU QD2 . 18587 1 750 . 1 1 65 65 LEU C C 13 177.935 0.000 . 1 . . . . 65 LEU C . 18587 1 751 . 1 1 65 65 LEU CA C 13 55.69 0.102 . 1 . . . . 65 LEU CA . 18587 1 752 . 1 1 65 65 LEU CB C 13 42.673 0.11 . 1 . . . . 65 LEU CB . 18587 1 753 . 1 1 65 65 LEU CG C 13 26.278 0.058 . 1 . . . . 65 LEU CG . 18587 1 754 . 1 1 65 65 LEU N N 15 117 0.058 . 1 . . . . 65 LEU N . 18587 1 755 . 1 1 66 66 SER H H 1 8.413 0.007 . 1 . . . . 66 SER H . 18587 1 756 . 1 1 66 66 SER HA H 1 3.982 0.000 . 1 . . . . 66 SER HA . 18587 1 757 . 1 1 66 66 SER HB2 H 1 4.053 0.002 . 2 . . . . 66 SER QB . 18587 1 758 . 1 1 66 66 SER HB3 H 1 4.053 0.002 . 2 . . . . 66 SER QB . 18587 1 759 . 1 1 66 66 SER CA C 13 64.207 0.055 . 1 . . . . 66 SER CA . 18587 1 760 . 1 1 66 66 SER CB C 13 61.32 0.000 . 1 . . . . 66 SER CB . 18587 1 761 . 1 1 66 66 SER N N 15 116.162 0.061 . 1 . . . . 66 SER N . 18587 1 762 . 1 1 67 67 PRO HA H 1 4.524 0.005 . 1 . . . . 67 PRO HA . 18587 1 763 . 1 1 67 67 PRO HB2 H 1 2.486 0.01 . 2 . . . . 67 PRO HB2 . 18587 1 764 . 1 1 67 67 PRO HB3 H 1 1.833 0.009 . 2 . . . . 67 PRO HB3 . 18587 1 765 . 1 1 67 67 PRO HG2 H 1 1.935 0.005 . 2 . . . . 67 PRO QG . 18587 1 766 . 1 1 67 67 PRO HG3 H 1 1.935 0.005 . 2 . . . . 67 PRO QG . 18587 1 767 . 1 1 67 67 PRO C C 13 177.826 0.000 . 1 . . . . 67 PRO C . 18587 1 768 . 1 1 67 67 PRO CA C 13 65.43 0.072 . 1 . . . . 67 PRO CA . 18587 1 769 . 1 1 67 67 PRO CB C 13 31.814 0.07 . 1 . . . . 67 PRO CB . 18587 1 770 . 1 1 67 67 PRO CG C 13 28.208 0.007 . 1 . . . . 67 PRO CG . 18587 1 771 . 1 1 68 68 CYS H H 1 7.96 0.005 . 1 . . . . 68 CYS H . 18587 1 772 . 1 1 68 68 CYS HA H 1 4.203 0.007 . 1 . . . . 68 CYS HA . 18587 1 773 . 1 1 68 68 CYS HB2 H 1 3.034 0.011 . 2 . . . . 68 CYS QB . 18587 1 774 . 1 1 68 68 CYS HB3 H 1 3.034 0.011 . 2 . . . . 68 CYS QB . 18587 1 775 . 1 1 68 68 CYS C C 13 175.58 0.000 . 1 . . . . 68 CYS C . 18587 1 776 . 1 1 68 68 CYS CA C 13 58.449 0.118 . 1 . . . . 68 CYS CA . 18587 1 777 . 1 1 68 68 CYS CB C 13 28.141 0.079 . 1 . . . . 68 CYS CB . 18587 1 778 . 1 1 68 68 CYS N N 15 113.517 0.027 . 1 . . . . 68 CYS N . 18587 1 779 . 1 1 69 69 LYS H H 1 7.628 0.006 . 1 . . . . 69 LYS H . 18587 1 780 . 1 1 69 69 LYS HA H 1 3.844 0.007 . 1 . . . . 69 LYS HA . 18587 1 781 . 1 1 69 69 LYS HB2 H 1 1.876 0.005 . 2 . . . . 69 LYS HB2 . 18587 1 782 . 1 1 69 69 LYS HB3 H 1 1.746 0.016 . 2 . . . . 69 LYS HB3 . 18587 1 783 . 1 1 69 69 LYS HG2 H 1 1.698 0.000 . 2 . . . . 69 LYS QG . 18587 1 784 . 1 1 69 69 LYS HG3 H 1 1.698 0.000 . 2 . . . . 69 LYS QG . 18587 1 785 . 1 1 69 69 LYS C C 13 175.863 0.000 . 1 . . . . 69 LYS C . 18587 1 786 . 1 1 69 69 LYS CA C 13 60.188 0.076 . 1 . . . . 69 LYS CA . 18587 1 787 . 1 1 69 69 LYS CB C 13 33.106 0.057 . 1 . . . . 69 LYS CB . 18587 1 788 . 1 1 69 69 LYS N N 15 119.274 0.048 . 1 . . . . 69 LYS N . 18587 1 789 . 1 1 70 70 GLU H H 1 7.972 0.004 . 1 . . . . 70 GLU H . 18587 1 790 . 1 1 70 70 GLU HA H 1 4.404 0.01 . 1 . . . . 70 GLU HA . 18587 1 791 . 1 1 70 70 GLU HB2 H 1 1.798 0.005 . 2 . . . . 70 GLU HB2 . 18587 1 792 . 1 1 70 70 GLU HB3 H 1 2.272 0.004 . 2 . . . . 70 GLU HB3 . 18587 1 793 . 1 1 70 70 GLU HG2 H 1 2.167 0.006 . 2 . . . . 70 GLU QG . 18587 1 794 . 1 1 70 70 GLU HG3 H 1 2.167 0.006 . 2 . . . . 70 GLU QG . 18587 1 795 . 1 1 70 70 GLU C C 13 176.504 0.000 . 1 . . . . 70 GLU C . 18587 1 796 . 1 1 70 70 GLU CA C 13 55.129 0.087 . 1 . . . . 70 GLU CA . 18587 1 797 . 1 1 70 70 GLU CB C 13 29.368 0.026 . 1 . . . . 70 GLU CB . 18587 1 798 . 1 1 70 70 GLU CG C 13 36.361 0.052 . 1 . . . . 70 GLU CG . 18587 1 799 . 1 1 70 70 GLU N N 15 113.71 0.051 . 1 . . . . 70 GLU N . 18587 1 800 . 1 1 71 71 HIS H H 1 7.558 0.012 . 1 . . . . 71 HIS H . 18587 1 801 . 1 1 71 71 HIS HA H 1 4.429 0.015 . 1 . . . . 71 HIS HA . 18587 1 802 . 1 1 71 71 HIS HB2 H 1 2.869 0.000 . 2 . . . . 71 HIS HB2 . 18587 1 803 . 1 1 71 71 HIS HB3 H 1 2.712 0.000 . 2 . . . . 71 HIS HB3 . 18587 1 804 . 1 1 71 71 HIS HD2 H 1 7.215 0.002 . 1 . . . . 71 HIS HD2 . 18587 1 805 . 1 1 71 71 HIS HE1 H 1 7.998 0.000 . 1 . . . . 71 HIS HE1 . 18587 1 806 . 1 1 71 71 HIS C C 13 177.025 0.000 . 1 . . . . 71 HIS C . 18587 1 807 . 1 1 71 71 HIS CA C 13 57.447 0.053 . 1 . . . . 71 HIS CA . 18587 1 808 . 1 1 71 71 HIS CB C 13 31.646 0.129 . 1 . . . . 71 HIS CB . 18587 1 809 . 1 1 71 71 HIS CD2 C 13 118.492 0.006 . 1 . . . . 71 HIS CD2 . 18587 1 810 . 1 1 71 71 HIS CE1 C 13 138.623 0.000 . 1 . . . . 71 HIS CE1 . 18587 1 811 . 1 1 71 71 HIS N N 15 121.513 0.073 . 1 . . . . 71 HIS N . 18587 1 812 . 1 1 72 72 ASP H H 1 8.691 0.005 . 1 . . . . 72 ASP H . 18587 1 813 . 1 1 72 72 ASP HA H 1 4.397 0.01 . 1 . . . . 72 ASP HA . 18587 1 814 . 1 1 72 72 ASP HB2 H 1 2.68 0.012 . 2 . . . . 72 ASP QB . 18587 1 815 . 1 1 72 72 ASP HB3 H 1 2.68 0.012 . 2 . . . . 72 ASP QB . 18587 1 816 . 1 1 72 72 ASP C C 13 177.034 0.000 . 1 . . . . 72 ASP C . 18587 1 817 . 1 1 72 72 ASP CA C 13 56.619 0.079 . 1 . . . . 72 ASP CA . 18587 1 818 . 1 1 72 72 ASP CB C 13 40.968 0.073 . 1 . . . . 72 ASP CB . 18587 1 819 . 1 1 72 72 ASP N N 15 125.917 0.035 . 1 . . . . 72 ASP N . 18587 1 820 . 1 1 73 73 VAL H H 1 9.297 0.005 . 1 . . . . 73 VAL H . 18587 1 821 . 1 1 73 73 VAL HA H 1 3.957 0.013 . 1 . . . . 73 VAL HA . 18587 1 822 . 1 1 73 73 VAL HG11 H 1 0.673 0.000 . 1 . . . . 73 VAL QQG . 18587 1 823 . 1 1 73 73 VAL HG12 H 1 0.673 0.000 . 1 . . . . 73 VAL QQG . 18587 1 824 . 1 1 73 73 VAL HG13 H 1 0.673 0.000 . 1 . . . . 73 VAL QQG . 18587 1 825 . 1 1 73 73 VAL HG21 H 1 0.673 0.000 . 1 . . . . 73 VAL QQG . 18587 1 826 . 1 1 73 73 VAL HG22 H 1 0.673 0.000 . 1 . . . . 73 VAL QQG . 18587 1 827 . 1 1 73 73 VAL HG23 H 1 0.673 0.000 . 1 . . . . 73 VAL QQG . 18587 1 828 . 1 1 73 73 VAL C C 13 178.701 0.000 . 1 . . . . 73 VAL C . 18587 1 829 . 1 1 73 73 VAL CA C 13 66.271 0.103 . 1 . . . . 73 VAL CA . 18587 1 830 . 1 1 73 73 VAL CB C 13 36.02 0.000 . 1 . . . . 73 VAL CB . 18587 1 831 . 1 1 73 73 VAL N N 15 120.435 0.074 . 1 . . . . 73 VAL N . 18587 1 832 . 1 1 74 74 ILE H H 1 8.705 0.008 . 1 . . . . 74 ILE H . 18587 1 833 . 1 1 74 74 ILE HA H 1 4.494 0.007 . 1 . . . . 74 ILE HA . 18587 1 834 . 1 1 74 74 ILE HB H 1 2.225 0.007 . 1 . . . . 74 ILE HB . 18587 1 835 . 1 1 74 74 ILE HG12 H 1 1.395 0.008 . 2 . . . . 74 ILE HG12 . 18587 1 836 . 1 1 74 74 ILE HG13 H 1 1.045 0.011 . 2 . . . . 74 ILE HG13 . 18587 1 837 . 1 1 74 74 ILE HG21 H 1 0.987 0.006 . 1 . . . . 74 ILE HG2 . 18587 1 838 . 1 1 74 74 ILE HG22 H 1 0.987 0.006 . 1 . . . . 74 ILE HG2 . 18587 1 839 . 1 1 74 74 ILE HG23 H 1 0.987 0.006 . 1 . . . . 74 ILE HG2 . 18587 1 840 . 1 1 74 74 ILE HD11 H 1 0.863 0.009 . 1 . . . . 74 ILE QD1 . 18587 1 841 . 1 1 74 74 ILE HD12 H 1 0.863 0.009 . 1 . . . . 74 ILE QD1 . 18587 1 842 . 1 1 74 74 ILE HD13 H 1 0.863 0.009 . 1 . . . . 74 ILE QD1 . 18587 1 843 . 1 1 74 74 ILE C C 13 177.095 0.000 . 1 . . . . 74 ILE C . 18587 1 844 . 1 1 74 74 ILE CA C 13 61.88 0.105 . 1 . . . . 74 ILE CA . 18587 1 845 . 1 1 74 74 ILE CB C 13 39.731 0.07 . 1 . . . . 74 ILE CB . 18587 1 846 . 1 1 74 74 ILE CG1 C 13 27.127 0.027 . 1 . . . . 74 ILE CG1 . 18587 1 847 . 1 1 74 74 ILE CG2 C 13 18.059 0.032 . 1 . . . . 74 ILE CG2 . 18587 1 848 . 1 1 74 74 ILE CD1 C 13 14.029 0.034 . 1 . . . . 74 ILE CD1 . 18587 1 849 . 1 1 74 74 ILE N N 15 115.763 0.018 . 1 . . . . 74 ILE N . 18587 1 850 . 1 1 75 75 GLY H H 1 8.234 0.008 . 1 . . . . 75 GLY H . 18587 1 851 . 1 1 75 75 GLY HA2 H 1 4.128 0.021 . 2 . . . . 75 GLY QA . 18587 1 852 . 1 1 75 75 GLY HA3 H 1 4.128 0.021 . 2 . . . . 75 GLY QA . 18587 1 853 . 1 1 75 75 GLY C C 13 176.444 0.000 . 1 . . . . 75 GLY C . 18587 1 854 . 1 1 75 75 GLY CA C 13 48.534 0.153 . 1 . . . . 75 GLY CA . 18587 1 855 . 1 1 75 75 GLY N N 15 113.165 0.053 . 1 . . . . 75 GLY N . 18587 1 856 . 1 1 76 76 THR H H 1 8.34 0.007 . 1 . . . . 76 THR H . 18587 1 857 . 1 1 76 76 THR HA H 1 4.096 0.007 . 1 . . . . 76 THR HA . 18587 1 858 . 1 1 76 76 THR HB H 1 4.255 0.007 . 1 . . . . 76 THR HB . 18587 1 859 . 1 1 76 76 THR HG21 H 1 1.343 0.006 . 1 . . . . 76 THR HG2 . 18587 1 860 . 1 1 76 76 THR HG22 H 1 1.343 0.006 . 1 . . . . 76 THR HG2 . 18587 1 861 . 1 1 76 76 THR HG23 H 1 1.343 0.006 . 1 . . . . 76 THR HG2 . 18587 1 862 . 1 1 76 76 THR C C 13 177.639 0.000 . 1 . . . . 76 THR C . 18587 1 863 . 1 1 76 76 THR CA C 13 65.959 0.046 . 1 . . . . 76 THR CA . 18587 1 864 . 1 1 76 76 THR CB C 13 68.462 0.129 . 1 . . . . 76 THR CB . 18587 1 865 . 1 1 76 76 THR CG2 C 13 22.056 0.085 . 1 . . . . 76 THR CG2 . 18587 1 866 . 1 1 76 76 THR N N 15 115.114 0.037 . 1 . . . . 76 THR N . 18587 1 867 . 1 1 77 77 LYS H H 1 7.635 0.006 . 1 . . . . 77 LYS H . 18587 1 868 . 1 1 77 77 LYS HA H 1 4.285 0.007 . 1 . . . . 77 LYS HA . 18587 1 869 . 1 1 77 77 LYS HB2 H 1 2.237 0.008 . 2 . . . . 77 LYS QB . 18587 1 870 . 1 1 77 77 LYS HB3 H 1 2.237 0.008 . 2 . . . . 77 LYS QB . 18587 1 871 . 1 1 77 77 LYS HG2 H 1 1.724 0.011 . 2 . . . . 77 LYS HG2 . 18587 1 872 . 1 1 77 77 LYS HG3 H 1 1.591 0.004 . 2 . . . . 77 LYS HG3 . 18587 1 873 . 1 1 77 77 LYS HD2 H 1 1.788 0.004 . 2 . . . . 77 LYS QD . 18587 1 874 . 1 1 77 77 LYS HD3 H 1 1.788 0.004 . 2 . . . . 77 LYS QD . 18587 1 875 . 1 1 77 77 LYS C C 13 179.856 0.000 . 1 . . . . 77 LYS C . 18587 1 876 . 1 1 77 77 LYS CA C 13 59.167 0.134 . 1 . . . . 77 LYS CA . 18587 1 877 . 1 1 77 77 LYS CB C 13 32.264 0.076 . 1 . . . . 77 LYS CB . 18587 1 878 . 1 1 77 77 LYS CG C 13 25.849 0.042 . 1 . . . . 77 LYS CG . 18587 1 879 . 1 1 77 77 LYS N N 15 122.454 0.061 . 1 . . . . 77 LYS N . 18587 1 880 . 1 1 78 78 VAL H H 1 8.635 0.004 . 1 . . . . 78 VAL H . 18587 1 881 . 1 1 78 78 VAL HA H 1 3.222 0.007 . 1 . . . . 78 VAL HA . 18587 1 882 . 1 1 78 78 VAL HB H 1 2.308 0.01 . 1 . . . . 78 VAL HB . 18587 1 883 . 1 1 78 78 VAL HG11 H 1 0.796 0.01 . 1 . . . . 78 VAL QG1 . 18587 1 884 . 1 1 78 78 VAL HG12 H 1 0.796 0.01 . 1 . . . . 78 VAL QG1 . 18587 1 885 . 1 1 78 78 VAL HG13 H 1 0.796 0.01 . 1 . . . . 78 VAL QG1 . 18587 1 886 . 1 1 78 78 VAL HG21 H 1 0.706 0.012 . 1 . . . . 78 VAL QG2 . 18587 1 887 . 1 1 78 78 VAL HG22 H 1 0.706 0.012 . 1 . . . . 78 VAL QG2 . 18587 1 888 . 1 1 78 78 VAL HG23 H 1 0.706 0.012 . 1 . . . . 78 VAL QG2 . 18587 1 889 . 1 1 78 78 VAL C C 13 177.7 0.000 . 1 . . . . 78 VAL C . 18587 1 890 . 1 1 78 78 VAL CA C 13 66.836 0.125 . 1 . . . . 78 VAL CA . 18587 1 891 . 1 1 78 78 VAL CB C 13 31.481 0.058 . 1 . . . . 78 VAL CB . 18587 1 892 . 1 1 78 78 VAL CG1 C 13 24.333 0.024 . 2 . . . . 78 VAL CG1 . 18587 1 893 . 1 1 78 78 VAL CG2 C 13 22.318 0.032 . 2 . . . . 78 VAL CG2 . 18587 1 894 . 1 1 78 78 VAL N N 15 122.675 0.045 . 1 . . . . 78 VAL N . 18587 1 895 . 1 1 79 79 CYS H H 1 8.489 0.015 . 1 . . . . 79 CYS H . 18587 1 896 . 1 1 79 79 CYS HA H 1 3.947 0.000 . 1 . . . . 79 CYS HA . 18587 1 897 . 1 1 79 79 CYS HB2 H 1 1.886 0.002 . 2 . . . . 79 CYS HB2 . 18587 1 898 . 1 1 79 79 CYS HB3 H 1 1.765 0.007 . 2 . . . . 79 CYS HB3 . 18587 1 899 . 1 1 79 79 CYS C C 13 176.693 0.000 . 1 . . . . 79 CYS C . 18587 1 900 . 1 1 79 79 CYS CA C 13 64.35 0.109 . 1 . . . . 79 CYS CA . 18587 1 901 . 1 1 79 79 CYS CB C 13 26.883 0.038 . 1 . . . . 79 CYS CB . 18587 1 902 . 1 1 79 79 CYS N N 15 117.597 0.033 . 1 . . . . 79 CYS N . 18587 1 903 . 1 1 80 80 ALA H H 1 7.731 0.004 . 1 . . . . 80 ALA H . 18587 1 904 . 1 1 80 80 ALA HA H 1 4.219 0.009 . 1 . . . . 80 ALA HA . 18587 1 905 . 1 1 80 80 ALA HB1 H 1 1.548 0.005 . 1 . . . . 80 ALA HB . 18587 1 906 . 1 1 80 80 ALA HB2 H 1 1.548 0.005 . 1 . . . . 80 ALA HB . 18587 1 907 . 1 1 80 80 ALA HB3 H 1 1.548 0.005 . 1 . . . . 80 ALA HB . 18587 1 908 . 1 1 80 80 ALA C C 13 180.427 0.000 . 1 . . . . 80 ALA C . 18587 1 909 . 1 1 80 80 ALA CA C 13 55.073 0.116 . 1 . . . . 80 ALA CA . 18587 1 910 . 1 1 80 80 ALA CB C 13 17.915 0.086 . 1 . . . . 80 ALA CB . 18587 1 911 . 1 1 80 80 ALA N N 15 120.819 0.131 . 1 . . . . 80 ALA N . 18587 1 912 . 1 1 81 81 LEU H H 1 7.721 0.015 . 1 . . . . 81 LEU H . 18587 1 913 . 1 1 81 81 LEU HA H 1 4.386 0.004 . 1 . . . . 81 LEU HA . 18587 1 914 . 1 1 81 81 LEU HB2 H 1 1.938 0.000 . 2 . . . . 81 LEU QB . 18587 1 915 . 1 1 81 81 LEU HB3 H 1 1.938 0.000 . 2 . . . . 81 LEU QB . 18587 1 916 . 1 1 81 81 LEU CA C 13 58.066 0.137 . 1 . . . . 81 LEU CA . 18587 1 917 . 1 1 81 81 LEU CB C 13 40.205 0.000 . 1 . . . . 81 LEU CB . 18587 1 918 . 1 1 81 81 LEU N N 15 121.049 0.116 . 1 . . . . 81 LEU N . 18587 1 919 . 1 1 82 82 LEU H H 1 8.153 0.004 . 1 . . . . 82 LEU H . 18587 1 920 . 1 1 82 82 LEU HA H 1 4.686 0.000 . 1 . . . . 82 LEU HA . 18587 1 921 . 1 1 82 82 LEU HG H 1 1.853 0.008 . 1 . . . . 82 LEU HG . 18587 1 922 . 1 1 82 82 LEU CA C 13 53.348 0.000 . 1 . . . . 82 LEU CA . 18587 1 923 . 1 1 82 82 LEU CG C 13 27.436 0.000 . 1 . . . . 82 LEU CG . 18587 1 924 . 1 1 82 82 LEU N N 15 122.024 0.075 . 1 . . . . 82 LEU N . 18587 1 925 . 1 1 83 83 ASP HA H 1 4.451 0.004 . 1 . . . . 83 ASP HA . 18587 1 926 . 1 1 83 83 ASP HB2 H 1 2.797 0.006 . 2 . . . . 83 ASP HB2 . 18587 1 927 . 1 1 83 83 ASP HB3 H 1 2.619 0.008 . 2 . . . . 83 ASP HB3 . 18587 1 928 . 1 1 83 83 ASP C C 13 179.472 0.000 . 1 . . . . 83 ASP C . 18587 1 929 . 1 1 83 83 ASP CA C 13 57.285 0.067 . 1 . . . . 83 ASP CA . 18587 1 930 . 1 1 83 83 ASP CB C 13 40.079 0.05 . 1 . . . . 83 ASP CB . 18587 1 931 . 1 1 84 84 ARG H H 1 7.888 0.005 . 1 . . . . 84 ARG H . 18587 1 932 . 1 1 84 84 ARG HA H 1 4.021 0.009 . 1 . . . . 84 ARG HA . 18587 1 933 . 1 1 84 84 ARG HB2 H 1 1.933 0.009 . 2 . . . . 84 ARG HB2 . 18587 1 934 . 1 1 84 84 ARG HB3 H 1 1.798 0.014 . 2 . . . . 84 ARG HB3 . 18587 1 935 . 1 1 84 84 ARG HG2 H 1 1.244 0.005 . 2 . . . . 84 ARG QG . 18587 1 936 . 1 1 84 84 ARG HG3 H 1 1.244 0.005 . 2 . . . . 84 ARG QG . 18587 1 937 . 1 1 84 84 ARG C C 13 178.487 0.000 . 1 . . . . 84 ARG C . 18587 1 938 . 1 1 84 84 ARG CA C 13 60.094 0.095 . 1 . . . . 84 ARG CA . 18587 1 939 . 1 1 84 84 ARG CB C 13 30.622 0.067 . 1 . . . . 84 ARG CB . 18587 1 940 . 1 1 84 84 ARG CG C 13 23.986 0.053 . 1 . . . . 84 ARG CG . 18587 1 941 . 1 1 84 84 ARG N N 15 122.823 0.045 . 1 . . . . 84 ARG N . 18587 1 942 . 1 1 85 85 LEU H H 1 8.61 0.008 . 1 . . . . 85 LEU H . 18587 1 943 . 1 1 85 85 LEU HA H 1 4.141 0.008 . 1 . . . . 85 LEU HA . 18587 1 944 . 1 1 85 85 LEU HB2 H 1 1.979 0.007 . 2 . . . . 85 LEU HB2 . 18587 1 945 . 1 1 85 85 LEU HB3 H 1 1.586 0.006 . 2 . . . . 85 LEU HB3 . 18587 1 946 . 1 1 85 85 LEU HD11 H 1 0.827 0.008 . 1 . . . . 85 LEU QQD . 18587 1 947 . 1 1 85 85 LEU HD12 H 1 0.827 0.008 . 1 . . . . 85 LEU QQD . 18587 1 948 . 1 1 85 85 LEU HD13 H 1 0.827 0.008 . 1 . . . . 85 LEU QQD . 18587 1 949 . 1 1 85 85 LEU HD21 H 1 0.827 0.008 . 1 . . . . 85 LEU QQD . 18587 1 950 . 1 1 85 85 LEU HD22 H 1 0.827 0.008 . 1 . . . . 85 LEU QQD . 18587 1 951 . 1 1 85 85 LEU HD23 H 1 0.827 0.008 . 1 . . . . 85 LEU QQD . 18587 1 952 . 1 1 85 85 LEU C C 13 177.636 0.000 . 1 . . . . 85 LEU C . 18587 1 953 . 1 1 85 85 LEU CA C 13 57.453 0.063 . 1 . . . . 85 LEU CA . 18587 1 954 . 1 1 85 85 LEU CB C 13 41.988 0.062 . 1 . . . . 85 LEU CB . 18587 1 955 . 1 1 85 85 LEU CD1 C 13 21.246 0.007 . 2 . . . . 85 LEU CD1 . 18587 1 956 . 1 1 85 85 LEU N N 15 118.433 0.065 . 1 . . . . 85 LEU N . 18587 1 957 . 1 1 86 86 ALA H H 1 7.33 0.007 . 1 . . . . 86 ALA H . 18587 1 958 . 1 1 86 86 ALA HA H 1 4.373 0.004 . 1 . . . . 86 ALA HA . 18587 1 959 . 1 1 86 86 ALA HB1 H 1 1.493 0.004 . 1 . . . . 86 ALA HB . 18587 1 960 . 1 1 86 86 ALA HB2 H 1 1.493 0.004 . 1 . . . . 86 ALA HB . 18587 1 961 . 1 1 86 86 ALA HB3 H 1 1.493 0.004 . 1 . . . . 86 ALA HB . 18587 1 962 . 1 1 86 86 ALA C C 13 179.086 0.000 . 1 . . . . 86 ALA C . 18587 1 963 . 1 1 86 86 ALA CA C 13 53.076 0.119 . 1 . . . . 86 ALA CA . 18587 1 964 . 1 1 86 86 ALA CB C 13 19.053 0.072 . 1 . . . . 86 ALA CB . 18587 1 965 . 1 1 86 86 ALA N N 15 117.412 0.053 . 1 . . . . 86 ALA N . 18587 1 966 . 1 1 87 87 GLY H H 1 7.663 0.005 . 1 . . . . 87 GLY H . 18587 1 967 . 1 1 87 87 GLY HA2 H 1 4.34 0.01 . 2 . . . . 87 GLY HA2 . 18587 1 968 . 1 1 87 87 GLY HA3 H 1 3.795 0.009 . 2 . . . . 87 GLY HA3 . 18587 1 969 . 1 1 87 87 GLY C C 13 173.495 0.000 . 1 . . . . 87 GLY C . 18587 1 970 . 1 1 87 87 GLY CA C 13 45.982 0.085 . 1 . . . . 87 GLY CA . 18587 1 971 . 1 1 87 87 GLY N N 15 104.557 0.051 . 1 . . . . 87 GLY N . 18587 1 972 . 1 1 88 88 ASP H H 1 8.676 0.005 . 1 . . . . 88 ASP H . 18587 1 973 . 1 1 88 88 ASP HA H 1 4.939 0.007 . 1 . . . . 88 ASP HA . 18587 1 974 . 1 1 88 88 ASP HB2 H 1 2.715 0.009 . 2 . . . . 88 ASP QB . 18587 1 975 . 1 1 88 88 ASP HB3 H 1 2.715 0.009 . 2 . . . . 88 ASP QB . 18587 1 976 . 1 1 88 88 ASP C C 13 175.21 0.000 . 1 . . . . 88 ASP C . 18587 1 977 . 1 1 88 88 ASP CA C 13 53.172 0.077 . 1 . . . . 88 ASP CA . 18587 1 978 . 1 1 88 88 ASP CB C 13 42.445 0.045 . 1 . . . . 88 ASP CB . 18587 1 979 . 1 1 88 88 ASP N N 15 123.194 0.052 . 1 . . . . 88 ASP N . 18587 1 980 . 1 1 89 89 TYR H H 1 8.442 0.006 . 1 . . . . 89 TYR H . 18587 1 981 . 1 1 89 89 TYR HA H 1 4.123 0.006 . 1 . . . . 89 TYR HA . 18587 1 982 . 1 1 89 89 TYR HB2 H 1 2.736 0.006 . 2 . . . . 89 TYR HB2 . 18587 1 983 . 1 1 89 89 TYR HB3 H 1 2.874 0.009 . 2 . . . . 89 TYR HB3 . 18587 1 984 . 1 1 89 89 TYR HD1 H 1 6.67 0.003 . 3 . . . . 89 TYR QD . 18587 1 985 . 1 1 89 89 TYR HD2 H 1 6.67 0.003 . 3 . . . . 89 TYR QD . 18587 1 986 . 1 1 89 89 TYR HE1 H 1 6.753 0.025 . 3 . . . . 89 TYR QE . 18587 1 987 . 1 1 89 89 TYR HE2 H 1 6.753 0.025 . 3 . . . . 89 TYR QE . 18587 1 988 . 1 1 89 89 TYR C C 13 174.793 0.000 . 1 . . . . 89 TYR C . 18587 1 989 . 1 1 89 89 TYR CA C 13 59.432 0.087 . 1 . . . . 89 TYR CA . 18587 1 990 . 1 1 89 89 TYR CB C 13 38.953 0.037 . 1 . . . . 89 TYR CB . 18587 1 991 . 1 1 89 89 TYR CD1 C 13 132.866 0.031 . 3 . . . . 89 TYR CD1 . 18587 1 992 . 1 1 89 89 TYR CE1 C 13 117.359 0.008 . 3 . . . . 89 TYR CE1 . 18587 1 993 . 1 1 89 89 TYR N N 15 120.252 0.053 . 1 . . . . 89 TYR N . 18587 1 994 . 1 1 90 90 VAL H H 1 7.47 0.004 . 1 . . . . 90 VAL H . 18587 1 995 . 1 1 90 90 VAL HA H 1 4.129 0.007 . 1 . . . . 90 VAL HA . 18587 1 996 . 1 1 90 90 VAL HB H 1 1.693 0.009 . 1 . . . . 90 VAL HB . 18587 1 997 . 1 1 90 90 VAL HG11 H 1 0.868 0.012 . 1 . . . . 90 VAL QG1 . 18587 1 998 . 1 1 90 90 VAL HG12 H 1 0.868 0.012 . 1 . . . . 90 VAL QG1 . 18587 1 999 . 1 1 90 90 VAL HG13 H 1 0.868 0.012 . 1 . . . . 90 VAL QG1 . 18587 1 1000 . 1 1 90 90 VAL HG21 H 1 0.524 0.006 . 1 . . . . 90 VAL QG2 . 18587 1 1001 . 1 1 90 90 VAL HG22 H 1 0.524 0.006 . 1 . . . . 90 VAL QG2 . 18587 1 1002 . 1 1 90 90 VAL HG23 H 1 0.524 0.006 . 1 . . . . 90 VAL QG2 . 18587 1 1003 . 1 1 90 90 VAL C C 13 173.764 0.000 . 1 . . . . 90 VAL C . 18587 1 1004 . 1 1 90 90 VAL CA C 13 61.669 0.099 . 1 . . . . 90 VAL CA . 18587 1 1005 . 1 1 90 90 VAL CB C 13 33.602 0.06 . 1 . . . . 90 VAL CB . 18587 1 1006 . 1 1 90 90 VAL CG1 C 13 22.152 0.032 . 2 . . . . 90 VAL CG1 . 18587 1 1007 . 1 1 90 90 VAL CG2 C 13 22.958 0.032 . 2 . . . . 90 VAL CG2 . 18587 1 1008 . 1 1 90 90 VAL N N 15 124.444 0.052 . 1 . . . . 90 VAL N . 18587 1 1009 . 1 1 91 91 TYR H H 1 8.961 0.011 . 1 . . . . 91 TYR H . 18587 1 1010 . 1 1 91 91 TYR HA H 1 4.503 0.015 . 1 . . . . 91 TYR HA . 18587 1 1011 . 1 1 91 91 TYR HD1 H 1 7.129 0.008 . 3 . . . . 91 TYR QD . 18587 1 1012 . 1 1 91 91 TYR HD2 H 1 7.129 0.008 . 3 . . . . 91 TYR QD . 18587 1 1013 . 1 1 91 91 TYR HE1 H 1 6.556 0.009 . 3 . . . . 91 TYR QE . 18587 1 1014 . 1 1 91 91 TYR HE2 H 1 6.556 0.009 . 3 . . . . 91 TYR QE . 18587 1 1015 . 1 1 91 91 TYR C C 13 178.686 0.000 . 1 . . . . 91 TYR C . 18587 1 1016 . 1 1 91 91 TYR CA C 13 58.099 0.109 . 1 . . . . 91 TYR CA . 18587 1 1017 . 1 1 91 91 TYR CB C 13 40.612 0.08 . 1 . . . . 91 TYR CB . 18587 1 1018 . 1 1 91 91 TYR CD1 C 13 133.856 0.119 . 3 . . . . 91 TYR CD1 . 18587 1 1019 . 1 1 91 91 TYR CE1 C 13 118.052 0.037 . 3 . . . . 91 TYR CE1 . 18587 1 1020 . 1 1 91 91 TYR N N 15 124.542 0.053 . 1 . . . . 91 TYR N . 18587 1 1021 . 1 1 92 92 LEU H H 1 8.565 0.005 . 1 . . . . 92 LEU H . 18587 1 1022 . 1 1 92 92 LEU HA H 1 5.492 0.007 . 1 . . . . 92 LEU HA . 18587 1 1023 . 1 1 92 92 LEU HB2 H 1 1.478 0.007 . 2 . . . . 92 LEU HB2 . 18587 1 1024 . 1 1 92 92 LEU HB3 H 1 1.388 0.006 . 2 . . . . 92 LEU HB3 . 18587 1 1025 . 1 1 92 92 LEU HG H 1 1.461 0.01 . 1 . . . . 92 LEU HG . 18587 1 1026 . 1 1 92 92 LEU HD11 H 1 0.675 0.007 . 1 . . . . 92 LEU QQD . 18587 1 1027 . 1 1 92 92 LEU HD12 H 1 0.675 0.007 . 1 . . . . 92 LEU QQD . 18587 1 1028 . 1 1 92 92 LEU HD13 H 1 0.675 0.007 . 1 . . . . 92 LEU QQD . 18587 1 1029 . 1 1 92 92 LEU HD21 H 1 0.675 0.007 . 1 . . . . 92 LEU QQD . 18587 1 1030 . 1 1 92 92 LEU HD22 H 1 0.675 0.007 . 1 . . . . 92 LEU QQD . 18587 1 1031 . 1 1 92 92 LEU HD23 H 1 0.675 0.007 . 1 . . . . 92 LEU QQD . 18587 1 1032 . 1 1 92 92 LEU C C 13 175.694 0.000 . 1 . . . . 92 LEU C . 18587 1 1033 . 1 1 92 92 LEU CA C 13 53.193 0.061 . 1 . . . . 92 LEU CA . 18587 1 1034 . 1 1 92 92 LEU CB C 13 45.572 0.042 . 1 . . . . 92 LEU CB . 18587 1 1035 . 1 1 92 92 LEU CG C 13 27.054 0.022 . 1 . . . . 92 LEU CG . 18587 1 1036 . 1 1 92 92 LEU CD1 C 13 24.851 0.074 . 2 . . . . 92 LEU CD1 . 18587 1 1037 . 1 1 92 92 LEU N N 15 118.866 0.044 . 1 . . . . 92 LEU N . 18587 1 1038 . 1 1 93 93 PHE H H 1 8.002 0.004 . 1 . . . . 93 PHE H . 18587 1 1039 . 1 1 93 93 PHE HA H 1 5.318 0.011 . 1 . . . . 93 PHE HA . 18587 1 1040 . 1 1 93 93 PHE HB2 H 1 3.026 0.016 . 2 . . . . 93 PHE HB2 . 18587 1 1041 . 1 1 93 93 PHE HB3 H 1 2.825 0.02 . 2 . . . . 93 PHE HB3 . 18587 1 1042 . 1 1 93 93 PHE C C 13 174.113 0.000 . 1 . . . . 93 PHE C . 18587 1 1043 . 1 1 93 93 PHE CA C 13 54.83 0.066 . 1 . . . . 93 PHE CA . 18587 1 1044 . 1 1 93 93 PHE CB C 13 40.886 0.057 . 1 . . . . 93 PHE CB . 18587 1 1045 . 1 1 93 93 PHE N N 15 116.269 0.042 . 1 . . . . 93 PHE N . 18587 1 1046 . 1 1 94 94 ASP H H 1 9.373 0.004 . 1 . . . . 94 ASP H . 18587 1 1047 . 1 1 94 94 ASP HA H 1 5.047 0.009 . 1 . . . . 94 ASP HA . 18587 1 1048 . 1 1 94 94 ASP HB2 H 1 3.402 0.01 . 2 . . . . 94 ASP HB2 . 18587 1 1049 . 1 1 94 94 ASP HB3 H 1 3.074 0.013 . 2 . . . . 94 ASP HB3 . 18587 1 1050 . 1 1 94 94 ASP C C 13 178.138 0.000 . 1 . . . . 94 ASP C . 18587 1 1051 . 1 1 94 94 ASP CA C 13 52.757 0.103 . 1 . . . . 94 ASP CA . 18587 1 1052 . 1 1 94 94 ASP CB C 13 41.779 0.089 . 1 . . . . 94 ASP CB . 18587 1 1053 . 1 1 94 94 ASP N N 15 120.684 0.061 . 1 . . . . 94 ASP N . 18587 1 1054 . 1 1 95 95 GLU H H 1 8.549 0.008 . 1 . . . . 95 GLU H . 18587 1 1055 . 1 1 95 95 GLU HA H 1 4.201 0.006 . 1 . . . . 95 GLU HA . 18587 1 1056 . 1 1 95 95 GLU HB2 H 1 2.169 0.01 . 2 . . . . 95 GLU QB . 18587 1 1057 . 1 1 95 95 GLU HB3 H 1 2.169 0.01 . 2 . . . . 95 GLU QB . 18587 1 1058 . 1 1 95 95 GLU HG2 H 1 2.327 0.005 . 2 . . . . 95 GLU QG . 18587 1 1059 . 1 1 95 95 GLU HG3 H 1 2.327 0.005 . 2 . . . . 95 GLU QG . 18587 1 1060 . 1 1 95 95 GLU C C 13 177.267 0.000 . 1 . . . . 95 GLU C . 18587 1 1061 . 1 1 95 95 GLU CA C 13 59.08 0.128 . 1 . . . . 95 GLU CA . 18587 1 1062 . 1 1 95 95 GLU CB C 13 29.813 0.079 . 1 . . . . 95 GLU CB . 18587 1 1063 . 1 1 95 95 GLU CG C 13 36.919 0.03 . 1 . . . . 95 GLU CG . 18587 1 1064 . 1 1 95 95 GLU N N 15 116.09 0.066 . 1 . . . . 95 GLU N . 18587 1 1065 . 1 1 96 96 GLY H H 1 8.255 0.007 . 1 . . . . 96 GLY H . 18587 1 1066 . 1 1 96 96 GLY HA2 H 1 4.349 0.006 . 2 . . . . 96 GLY QA . 18587 1 1067 . 1 1 96 96 GLY HA3 H 1 4.349 0.006 . 2 . . . . 96 GLY QA . 18587 1 1068 . 1 1 96 96 GLY C C 13 174.719 0.000 . 1 . . . . 96 GLY C . 18587 1 1069 . 1 1 96 96 GLY CA C 13 44.901 0.067 . 1 . . . . 96 GLY CA . 18587 1 1070 . 1 1 96 96 GLY N N 15 107.233 0.069 . 1 . . . . 96 GLY N . 18587 1 1071 . 1 1 97 97 GLY H H 1 8.229 0.004 . 1 . . . . 97 GLY H . 18587 1 1072 . 1 1 97 97 GLY HA2 H 1 4.106 0.007 . 2 . . . . 97 GLY HA2 . 18587 1 1073 . 1 1 97 97 GLY HA3 H 1 3.438 0.008 . 2 . . . . 97 GLY HA3 . 18587 1 1074 . 1 1 97 97 GLY C C 13 173.13 0.000 . 1 . . . . 97 GLY C . 18587 1 1075 . 1 1 97 97 GLY CA C 13 45.329 0.075 . 1 . . . . 97 GLY CA . 18587 1 1076 . 1 1 97 97 GLY N N 15 108.631 0.051 . 1 . . . . 97 GLY N . 18587 1 1077 . 1 1 98 98 ASP H H 1 8.736 0.005 . 1 . . . . 98 ASP H . 18587 1 1078 . 1 1 98 98 ASP HA H 1 4.959 0.007 . 1 . . . . 98 ASP HA . 18587 1 1079 . 1 1 98 98 ASP HB2 H 1 2.554 0.011 . 2 . . . . 98 ASP HB2 . 18587 1 1080 . 1 1 98 98 ASP HB3 H 1 2.755 0.009 . 2 . . . . 98 ASP HB3 . 18587 1 1081 . 1 1 98 98 ASP C C 13 176.904 0.000 . 1 . . . . 98 ASP C . 18587 1 1082 . 1 1 98 98 ASP CA C 13 53.605 0.11 . 1 . . . . 98 ASP CA . 18587 1 1083 . 1 1 98 98 ASP CB C 13 42.601 0.068 . 1 . . . . 98 ASP CB . 18587 1 1084 . 1 1 98 98 ASP N N 15 120.843 0.051 . 1 . . . . 98 ASP N . 18587 1 1085 . 1 1 99 99 GLU H H 1 9.047 0.005 . 1 . . . . 99 GLU H . 18587 1 1086 . 1 1 99 99 GLU HA H 1 4.743 0.006 . 1 . . . . 99 GLU HA . 18587 1 1087 . 1 1 99 99 GLU HB2 H 1 2.179 0.016 . 2 . . . . 99 GLU HB2 . 18587 1 1088 . 1 1 99 99 GLU HB3 H 1 2.113 0.014 . 2 . . . . 99 GLU HB3 . 18587 1 1089 . 1 1 99 99 GLU HG2 H 1 2.499 0.008 . 2 . . . . 99 GLU QG . 18587 1 1090 . 1 1 99 99 GLU HG3 H 1 2.499 0.008 . 2 . . . . 99 GLU QG . 18587 1 1091 . 1 1 99 99 GLU C C 13 174.535 0.000 . 1 . . . . 99 GLU C . 18587 1 1092 . 1 1 99 99 GLU CA C 13 55.566 0.12 . 1 . . . . 99 GLU CA . 18587 1 1093 . 1 1 99 99 GLU CB C 13 28.276 0.099 . 1 . . . . 99 GLU CB . 18587 1 1094 . 1 1 99 99 GLU CG C 13 36.892 0.035 . 1 . . . . 99 GLU CG . 18587 1 1095 . 1 1 99 99 GLU N N 15 125.51 0.084 . 1 . . . . 99 GLU N . 18587 1 1096 . 1 1 100 100 VAL H H 1 7.794 0.01 . 1 . . . . 100 VAL H . 18587 1 1097 . 1 1 100 100 VAL HA H 1 4.299 0.008 . 1 . . . . 100 VAL HA . 18587 1 1098 . 1 1 100 100 VAL HB H 1 2.003 0.005 . 1 . . . . 100 VAL HB . 18587 1 1099 . 1 1 100 100 VAL HG11 H 1 0.925 0.004 . 1 . . . . 100 VAL QG1 . 18587 1 1100 . 1 1 100 100 VAL HG12 H 1 0.925 0.004 . 1 . . . . 100 VAL QG1 . 18587 1 1101 . 1 1 100 100 VAL HG13 H 1 0.925 0.004 . 1 . . . . 100 VAL QG1 . 18587 1 1102 . 1 1 100 100 VAL HG21 H 1 0.875 0.012 . 1 . . . . 100 VAL QG2 . 18587 1 1103 . 1 1 100 100 VAL HG22 H 1 0.875 0.012 . 1 . . . . 100 VAL QG2 . 18587 1 1104 . 1 1 100 100 VAL HG23 H 1 0.875 0.012 . 1 . . . . 100 VAL QG2 . 18587 1 1105 . 1 1 100 100 VAL C C 13 173.106 0.000 . 1 . . . . 100 VAL C . 18587 1 1106 . 1 1 100 100 VAL CA C 13 59.824 0.125 . 1 . . . . 100 VAL CA . 18587 1 1107 . 1 1 100 100 VAL CB C 13 35.584 0.082 . 1 . . . . 100 VAL CB . 18587 1 1108 . 1 1 100 100 VAL CG1 C 13 21.388 0.032 . 2 . . . . 100 VAL CG1 . 18587 1 1109 . 1 1 100 100 VAL N N 15 121.353 0.072 . 1 . . . . 100 VAL N . 18587 1 1110 . 1 1 101 101 ILE H H 1 8.016 0.008 . 1 . . . . 101 ILE H . 18587 1 1111 . 1 1 101 101 ILE HA H 1 3.959 0.009 . 1 . . . . 101 ILE HA . 18587 1 1112 . 1 1 101 101 ILE HB H 1 1.711 0.005 . 1 . . . . 101 ILE HB . 18587 1 1113 . 1 1 101 101 ILE HG12 H 1 1.581 0.003 . 2 . . . . 101 ILE HG12 . 18587 1 1114 . 1 1 101 101 ILE HG13 H 1 1.088 0.01 . 2 . . . . 101 ILE HG13 . 18587 1 1115 . 1 1 101 101 ILE HG21 H 1 0.682 0.011 . 1 . . . . 101 ILE QG2 . 18587 1 1116 . 1 1 101 101 ILE HG22 H 1 0.682 0.011 . 1 . . . . 101 ILE QG2 . 18587 1 1117 . 1 1 101 101 ILE HG23 H 1 0.682 0.011 . 1 . . . . 101 ILE QG2 . 18587 1 1118 . 1 1 101 101 ILE HD11 H 1 0.603 0.008 . 1 . . . . 101 ILE QD1 . 18587 1 1119 . 1 1 101 101 ILE HD12 H 1 0.603 0.008 . 1 . . . . 101 ILE QD1 . 18587 1 1120 . 1 1 101 101 ILE HD13 H 1 0.603 0.008 . 1 . . . . 101 ILE QD1 . 18587 1 1121 . 1 1 101 101 ILE C C 13 175.362 0.000 . 1 . . . . 101 ILE C . 18587 1 1122 . 1 1 101 101 ILE CA C 13 61.449 0.093 . 1 . . . . 101 ILE CA . 18587 1 1123 . 1 1 101 101 ILE CB C 13 36.713 0.092 . 1 . . . . 101 ILE CB . 18587 1 1124 . 1 1 101 101 ILE CG1 C 13 28.052 0.022 . 1 . . . . 101 ILE CG1 . 18587 1 1125 . 1 1 101 101 ILE CG2 C 13 17.249 0.036 . 1 . . . . 101 ILE CG2 . 18587 1 1126 . 1 1 101 101 ILE CD1 C 13 12.625 0.033 . 1 . . . . 101 ILE CD1 . 18587 1 1127 . 1 1 101 101 ILE N N 15 121.108 0.036 . 1 . . . . 101 ILE N . 18587 1 1128 . 1 1 102 102 ALA H H 1 7.992 0.006 . 1 . . . . 102 ALA H . 18587 1 1129 . 1 1 102 102 ALA HA H 1 4.795 0.008 . 1 . . . . 102 ALA HA . 18587 1 1130 . 1 1 102 102 ALA HB1 H 1 1.618 0.007 . 1 . . . . 102 ALA HB . 18587 1 1131 . 1 1 102 102 ALA HB2 H 1 1.618 0.007 . 1 . . . . 102 ALA HB . 18587 1 1132 . 1 1 102 102 ALA HB3 H 1 1.618 0.007 . 1 . . . . 102 ALA HB . 18587 1 1133 . 1 1 102 102 ALA CA C 13 50.035 0.126 . 1 . . . . 102 ALA CA . 18587 1 1134 . 1 1 102 102 ALA CB C 13 22.689 0.067 . 1 . . . . 102 ALA CB . 18587 1 1135 . 1 1 102 102 ALA N N 15 132.309 0.03 . 1 . . . . 102 ALA N . 18587 1 1136 . 1 1 103 103 PRO HA H 1 4.513 0.006 . 1 . . . . 103 PRO HA . 18587 1 1137 . 1 1 103 103 PRO HB2 H 1 2.566 0.004 . 2 . . . . 103 PRO HB2 . 18587 1 1138 . 1 1 103 103 PRO HB3 H 1 1.924 0.019 . 2 . . . . 103 PRO HB3 . 18587 1 1139 . 1 1 103 103 PRO CA C 13 64.603 0.093 . 1 . . . . 103 PRO CA . 18587 1 1140 . 1 1 103 103 PRO CB C 13 32.534 0.033 . 1 . . . . 103 PRO CB . 18587 1 1141 . 1 1 104 104 ARG H H 1 6.864 0.005 . 1 . . . . 104 ARG H . 18587 1 1142 . 1 1 104 104 ARG HA H 1 5.201 0.006 . 1 . . . . 104 ARG HA . 18587 1 1143 . 1 1 104 104 ARG HB2 H 1 1.637 0.005 . 2 . . . . 104 ARG HB2 . 18587 1 1144 . 1 1 104 104 ARG HB3 H 1 1.612 0.005 . 2 . . . . 104 ARG HB3 . 18587 1 1145 . 1 1 104 104 ARG HG2 H 1 1.48 0.011 . 2 . . . . 104 ARG HG2 . 18587 1 1146 . 1 1 104 104 ARG HG3 H 1 1.449 0.01 . 2 . . . . 104 ARG HG3 . 18587 1 1147 . 1 1 104 104 ARG HD2 H 1 3.156 0.009 . 2 . . . . 104 ARG HD2 . 18587 1 1148 . 1 1 104 104 ARG HD3 H 1 3.097 0.01 . 2 . . . . 104 ARG HD3 . 18587 1 1149 . 1 1 104 104 ARG CA C 13 54.374 0.067 . 1 . . . . 104 ARG CA . 18587 1 1150 . 1 1 104 104 ARG CB C 13 32.051 0.065 . 1 . . . . 104 ARG CB . 18587 1 1151 . 1 1 104 104 ARG CD C 13 42.733 0.024 . 1 . . . . 104 ARG CD . 18587 1 1152 . 1 1 104 104 ARG N N 15 114.687 0.057 . 1 . . . . 104 ARG N . 18587 1 1153 . 1 1 105 105 MET HA H 1 4.991 0.000 . 1 . . . . 105 MET HA . 18587 1 1154 . 1 1 105 105 MET HB2 H 1 1.315 0.001 . 2 . . . . 105 MET QB . 18587 1 1155 . 1 1 105 105 MET HB3 H 1 1.315 0.001 . 2 . . . . 105 MET QB . 18587 1 1156 . 1 1 105 105 MET HG2 H 1 1.6 0.000 . 2 . . . . 105 MET QG . 18587 1 1157 . 1 1 105 105 MET HG3 H 1 1.6 0.000 . 2 . . . . 105 MET QG . 18587 1 1158 . 1 1 105 105 MET C C 13 173.605 0.000 . 1 . . . . 105 MET C . 18587 1 1159 . 1 1 105 105 MET CA C 13 53.932 0.019 . 1 . . . . 105 MET CA . 18587 1 1160 . 1 1 105 105 MET CB C 13 38.95 0.036 . 1 . . . . 105 MET CB . 18587 1 1161 . 1 1 105 105 MET CE C 13 17.185 0.027 . 1 . . . . 105 MET CE . 18587 1 1162 . 1 1 106 106 TYR H H 1 9.202 0.008 . 1 . . . . 106 TYR H . 18587 1 1163 . 1 1 106 106 TYR HA H 1 4.885 0.008 . 1 . . . . 106 TYR HA . 18587 1 1164 . 1 1 106 106 TYR HB2 H 1 2.08 0.007 . 2 . . . . 106 TYR HB2 . 18587 1 1165 . 1 1 106 106 TYR HB3 H 1 1.504 0.008 . 2 . . . . 106 TYR HB3 . 18587 1 1166 . 1 1 106 106 TYR HD1 H 1 6.794 0.027 . 3 . . . . 106 TYR QD . 18587 1 1167 . 1 1 106 106 TYR HD2 H 1 6.794 0.027 . 3 . . . . 106 TYR QD . 18587 1 1168 . 1 1 106 106 TYR HE1 H 1 6.835 0.028 . 3 . . . . 106 TYR QE . 18587 1 1169 . 1 1 106 106 TYR HE2 H 1 6.835 0.028 . 3 . . . . 106 TYR QE . 18587 1 1170 . 1 1 106 106 TYR C C 13 173.761 0.000 . 1 . . . . 106 TYR C . 18587 1 1171 . 1 1 106 106 TYR CA C 13 56.441 0.161 . 1 . . . . 106 TYR CA . 18587 1 1172 . 1 1 106 106 TYR CB C 13 41.52 0.085 . 1 . . . . 106 TYR CB . 18587 1 1173 . 1 1 106 106 TYR CD1 C 13 133.144 0.028 . 3 . . . . 106 TYR CD1 . 18587 1 1174 . 1 1 106 106 TYR CE1 C 13 117.981 0.024 . 3 . . . . 106 TYR CE1 . 18587 1 1175 . 1 1 106 106 TYR N N 15 120.076 0.062 . 1 . . . . 106 TYR N . 18587 1 1176 . 1 1 107 107 CYS H H 1 7.579 0.004 . 1 . . . . 107 CYS H . 18587 1 1177 . 1 1 107 107 CYS HA H 1 5.262 0.007 . 1 . . . . 107 CYS HA . 18587 1 1178 . 1 1 107 107 CYS HB2 H 1 2.041 0.018 . 2 . . . . 107 CYS QB . 18587 1 1179 . 1 1 107 107 CYS HB3 H 1 2.041 0.018 . 2 . . . . 107 CYS QB . 18587 1 1180 . 1 1 107 107 CYS CA C 13 56.406 0.178 . 1 . . . . 107 CYS CA . 18587 1 1181 . 1 1 107 107 CYS CB C 13 28.786 0.095 . 1 . . . . 107 CYS CB . 18587 1 1182 . 1 1 107 107 CYS N N 15 119.7 0.028 . 1 . . . . 107 CYS N . 18587 1 1183 . 1 1 108 108 SER H H 1 8.995 0.005 . 1 . . . . 108 SER H . 18587 1 1184 . 1 1 108 108 SER HA H 1 4.924 0.008 . 1 . . . . 108 SER HA . 18587 1 1185 . 1 1 108 108 SER HB2 H 1 3.638 0.000 . 2 . . . . 108 SER HB2 . 18587 1 1186 . 1 1 108 108 SER HB3 H 1 3.546 0.000 . 2 . . . . 108 SER HB3 . 18587 1 1187 . 1 1 108 108 SER C C 13 173.78 0.000 . 1 . . . . 108 SER C . 18587 1 1188 . 1 1 108 108 SER CA C 13 56.133 0.09 . 1 . . . . 108 SER CA . 18587 1 1189 . 1 1 108 108 SER CB C 13 65.35 0.223 . 1 . . . . 108 SER CB . 18587 1 1190 . 1 1 108 108 SER N N 15 120.403 0.067 . 1 . . . . 108 SER N . 18587 1 1191 . 1 1 109 109 PHE H H 1 7.818 0.005 . 1 . . . . 109 PHE H . 18587 1 1192 . 1 1 109 109 PHE HA H 1 5.455 0.008 . 1 . . . . 109 PHE HA . 18587 1 1193 . 1 1 109 109 PHE HB2 H 1 3.737 0.008 . 2 . . . . 109 PHE HB2 . 18587 1 1194 . 1 1 109 109 PHE HB3 H 1 3.194 0.009 . 2 . . . . 109 PHE HB3 . 18587 1 1195 . 1 1 109 109 PHE HD1 H 1 7.761 0.003 . 3 . . . . 109 PHE QD . 18587 1 1196 . 1 1 109 109 PHE HD2 H 1 7.761 0.003 . 3 . . . . 109 PHE QD . 18587 1 1197 . 1 1 109 109 PHE C C 13 176.691 0.000 . 1 . . . . 109 PHE C . 18587 1 1198 . 1 1 109 109 PHE CA C 13 59.596 0.088 . 1 . . . . 109 PHE CA . 18587 1 1199 . 1 1 109 109 PHE CB C 13 40.131 0.076 . 1 . . . . 109 PHE CB . 18587 1 1200 . 1 1 109 109 PHE CD1 C 13 132.231 0.012 . 3 . . . . 109 PHE CD1 . 18587 1 1201 . 1 1 109 109 PHE N N 15 121.079 0.057 . 1 . . . . 109 PHE N . 18587 1 1202 . 1 1 110 110 SER H H 1 8.959 0.005 . 1 . . . . 110 SER H . 18587 1 1203 . 1 1 110 110 SER HA H 1 4.68 0.004 . 1 . . . . 110 SER HA . 18587 1 1204 . 1 1 110 110 SER HB2 H 1 3.827 0.014 . 2 . . . . 110 SER HB2 . 18587 1 1205 . 1 1 110 110 SER HB3 H 1 3.75 0.013 . 2 . . . . 110 SER HB3 . 18587 1 1206 . 1 1 110 110 SER C C 13 172.056 0.000 . 1 . . . . 110 SER C . 18587 1 1207 . 1 1 110 110 SER CA C 13 57.747 0.102 . 1 . . . . 110 SER CA . 18587 1 1208 . 1 1 110 110 SER CB C 13 64.223 0.07 . 1 . . . . 110 SER CB . 18587 1 1209 . 1 1 110 110 SER N N 15 116.978 0.046 . 1 . . . . 110 SER N . 18587 1 1210 . 1 1 111 111 ALA H H 1 8.014 0.007 . 1 . . . . 111 ALA H . 18587 1 1211 . 1 1 111 111 ALA HA H 1 3.024 0.011 . 1 . . . . 111 ALA HA . 18587 1 1212 . 1 1 111 111 ALA HB1 H 1 0.86 0.009 . 1 . . . . 111 ALA HB . 18587 1 1213 . 1 1 111 111 ALA HB2 H 1 0.86 0.009 . 1 . . . . 111 ALA HB . 18587 1 1214 . 1 1 111 111 ALA HB3 H 1 0.86 0.009 . 1 . . . . 111 ALA HB . 18587 1 1215 . 1 1 111 111 ALA CA C 13 49.79 0.124 . 1 . . . . 111 ALA CA . 18587 1 1216 . 1 1 111 111 ALA CB C 13 17.168 0.105 . 1 . . . . 111 ALA CB . 18587 1 1217 . 1 1 111 111 ALA N N 15 126.946 0.04 . 1 . . . . 111 ALA N . 18587 1 1218 . 1 1 112 112 PRO HA H 1 4.374 0.005 . 1 . . . . 112 PRO HA . 18587 1 1219 . 1 1 112 112 PRO HB2 H 1 1.545 0.009 . 2 . . . . 112 PRO HB2 . 18587 1 1220 . 1 1 112 112 PRO HB3 H 1 1.087 0.006 . 2 . . . . 112 PRO HB3 . 18587 1 1221 . 1 1 112 112 PRO HG2 H 1 1.597 0.016 . 2 . . . . 112 PRO QG . 18587 1 1222 . 1 1 112 112 PRO HG3 H 1 1.597 0.016 . 2 . . . . 112 PRO QG . 18587 1 1223 . 1 1 112 112 PRO HD2 H 1 3.719 0.008 . 2 . . . . 112 PRO QD . 18587 1 1224 . 1 1 112 112 PRO HD3 H 1 3.719 0.008 . 2 . . . . 112 PRO QD . 18587 1 1225 . 1 1 112 112 PRO C C 13 176.324 0.000 . 1 . . . . 112 PRO C . 18587 1 1226 . 1 1 112 112 PRO CA C 13 62.906 0.087 . 1 . . . . 112 PRO CA . 18587 1 1227 . 1 1 112 112 PRO CB C 13 31.029 0.047 . 1 . . . . 112 PRO CB . 18587 1 1228 . 1 1 112 112 PRO CG C 13 27.207 0.054 . 1 . . . . 112 PRO CG . 18587 1 1229 . 1 1 113 113 ASP H H 1 7.952 0.005 . 1 . . . . 113 ASP H . 18587 1 1230 . 1 1 113 113 ASP HA H 1 4.461 0.005 . 1 . . . . 113 ASP HA . 18587 1 1231 . 1 1 113 113 ASP HB2 H 1 2.591 0.005 . 2 . . . . 113 ASP HB2 . 18587 1 1232 . 1 1 113 113 ASP HB3 H 1 2.485 0.009 . 2 . . . . 113 ASP HB3 . 18587 1 1233 . 1 1 113 113 ASP C C 13 175.099 0.000 . 1 . . . . 113 ASP C . 18587 1 1234 . 1 1 113 113 ASP CA C 13 53.781 0.095 . 1 . . . . 113 ASP CA . 18587 1 1235 . 1 1 113 113 ASP CB C 13 41.023 0.041 . 1 . . . . 113 ASP CB . 18587 1 1236 . 1 1 113 113 ASP N N 15 119.404 0.025 . 1 . . . . 113 ASP N . 18587 1 1237 . 1 1 114 114 ASP H H 1 7.696 0.003 . 1 . . . . 114 ASP H . 18587 1 1238 . 1 1 114 114 ASP HA H 1 4.307 0.007 . 1 . . . . 114 ASP HA . 18587 1 1239 . 1 1 114 114 ASP HB2 H 1 2.597 0.012 . 2 . . . . 114 ASP HB2 . 18587 1 1240 . 1 1 114 114 ASP HB3 H 1 2.513 0.008 . 2 . . . . 114 ASP HB3 . 18587 1 1241 . 1 1 114 114 ASP CA C 13 55.889 0.169 . 1 . . . . 114 ASP CA . 18587 1 1242 . 1 1 114 114 ASP CB C 13 42.027 0.026 . 1 . . . . 114 ASP CB . 18587 1 1243 . 1 1 114 114 ASP N N 15 125.692 0.017 . 1 . . . . 114 ASP N . 18587 1 stop_ save_