data_4999 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4999 _Entry.Title ; Assignment of the 1H, 15N and 13C resonances of the nucleocapsid-binding domain of the Sendai virus Phosphoprotein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2001-04-26 _Entry.Accession_date 2001-04-26 _Entry.Last_release_date 2001-10-08 _Entry.Original_release_date 2001-10-08 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Dominique Marion . . . 4999 2 Nicolas Tarbouriech . . . 4999 3 Rob Ruigrok . W.H. . 4999 4 Wilhelm Burmeister . P. . 4999 5 Laurence Blanchard . . . 4999 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4999 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 437 4999 '15N chemical shifts' 101 4999 '1H chemical shifts' 696 4999 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 . . 2001-10-08 2001-04-26 original author . 4999 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4999 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Assignment of the 1H, 15N and 13C resonances of the nucleocapsid-binding domain of the Sendai virus Phosphoprotein ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of Biomolecular NMR' _Citation.Journal_volume 21 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 75 _Citation.Page_last 76 _Citation.Year 2001 _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 Dominique Marion . . . 4999 1 2 Nicolas Tarbouriech . . . 4999 1 3 Rob Ruigrok . W.H. . 4999 1 4 Wilhelm Burmeister . P. . 4999 1 5 Laurence Blanchard . . . 4999 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'heteronuclear NMR assignment' 4999 1 'partially unfolded protein' 4999 1 phosphoprotein 4999 1 'RNA polymerase' 4999 1 'Sendai virus' 4999 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_X-protein _Assembly.Sf_category assembly _Assembly.Sf_framecode system_X-protein _Assembly.Entry_ID 4999 _Assembly.ID 1 _Assembly.Name 'nucleocapsid binding domain of the sendai virus phosphoprotein' _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 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4999 1 stop_ 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 X-protein 1 $X-protein . . . native . . . . . 4999 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'nucleocapsid binding domain of the sendai virus phosphoprotein' system 4999 1 X-protein abbreviation 4999 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID chaperone 4999 1 'negative strand RNA virus polymerase cofactor' 4999 1 'nucleocapsid binding domain' 4999 1 phosphoprotein 4999 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_X-protein _Entity.Sf_category entity _Entity.Sf_framecode X-protein _Entity.Entry_ID 4999 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'X-protein of the sendai virus' _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 ; MRGSHHHHHHIEGRMKYKPD LIREDEFRDEIRNPVYQERD TEPRASNASRLLPSKEKPTM HSLRLVIESSPLSRAEKAAY VKSLSKCKTDQEVKAVMELV EEDIESLTN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 109 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _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 12719 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 DBJ BAD74220 . "phosphoprotein [Sendai virus]" . . . . . 87.16 568 98.95 98.95 9.18e-56 . . . . 4999 1 2 no DBJ BAD74226 . "phosphoprotein [Sendai virus]" . . . . . 87.16 568 97.89 97.89 6.19e-54 . . . . 4999 1 3 no DBJ BAF73480 . "phosphoprotein [Sendai virus]" . . . . . 87.16 568 98.95 98.95 9.37e-56 . . . . 4999 1 4 no DBJ BAF73486 . "phosphoprotein [Sendai virus]" . . . . . 87.16 568 97.89 97.89 6.13e-54 . . . . 4999 1 5 no DBJ BAH59026 . "phosphoprotein [Sendai virus]" . . . . . 87.16 568 98.95 98.95 9.37e-56 . . . . 4999 1 6 no EMBL CAA24946 . "unnamed protein product [Human parainfluenza virus 1]" . . . . . 87.16 568 100.00 100.00 2.43e-56 . . . . 4999 1 7 no EMBL CAA34867 . "unnamed protein product [Human parainfluenza virus 1]" . . . . . 87.16 568 98.95 98.95 1.02e-55 . . . . 4999 1 8 no EMBL CAA34870 . "unnamed protein product [Human parainfluenza virus 1]" . . . . . 87.16 95 98.95 98.95 9.50e-60 . . . . 4999 1 9 no EMBL CAA34871 . "unnamed protein product [Human parainfluenza virus 1]" . . . . . 87.16 568 98.95 100.00 8.72e-56 . . . . 4999 1 10 no EMBL CAA34875 . "unnamed protein product [Human parainfluenza virus 1]" . . . . . 87.16 95 98.95 100.00 1.16e-59 . . . . 4999 1 11 no GB AAB06197 . "phosphoprotein [Sendai virus]" . . . . . 87.16 568 100.00 100.00 2.48e-56 . . . . 4999 1 12 no GB AAB06279 . "phosphoprotein [Sendai virus]" . . . . . 87.16 568 100.00 100.00 2.48e-56 . . . . 4999 1 13 no GB AAB06285 . "phosphoprotein [Sendai virus]" . . . . . 87.16 568 100.00 100.00 2.67e-56 . . . . 4999 1 14 no GB AAB06291 . "phosphoprotein [Sendai virus]" . . . . . 87.16 568 100.00 100.00 2.67e-56 . . . . 4999 1 15 no GB AAX07439 . "P protein [Sendai virus]" . . . . . 87.16 568 98.95 98.95 1.81e-54 . . . . 4999 1 16 no SP P04859 . "RecName: Full=Phosphoprotein; Short=Protein P [Sendai virus (strain Harris)]" . . . . . 87.16 568 100.00 100.00 2.76e-56 . . . . 4999 1 17 no SP P04860 . "RecName: Full=Phosphoprotein; Short=Protein P [Sendai virus (Z)]" . . . . . 87.16 568 100.00 100.00 2.43e-56 . . . . 4999 1 18 no SP P14251 . "RecName: Full=Phosphoprotein; Short=Protein P [Sendai virus (strain 6/94)]" . . . . . 87.16 568 98.95 98.95 1.02e-55 . . . . 4999 1 19 no SP P14252 . "RecName: Full=Phosphoprotein; Short=Protein P [Sendai virus (strain Fushimi)]" . . . . . 87.16 568 98.95 100.00 8.72e-56 . . . . 4999 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID X-protein abbreviation 4999 1 'X-protein of the sendai virus' common 4999 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 4999 1 2 . ARG . 4999 1 3 . GLY . 4999 1 4 . SER . 4999 1 5 . HIS . 4999 1 6 . HIS . 4999 1 7 . HIS . 4999 1 8 . HIS . 4999 1 9 . HIS . 4999 1 10 . HIS . 4999 1 11 . ILE . 4999 1 12 . GLU . 4999 1 13 . GLY . 4999 1 14 . ARG . 4999 1 15 . MET . 4999 1 16 . LYS . 4999 1 17 . TYR . 4999 1 18 . LYS . 4999 1 19 . PRO . 4999 1 20 . ASP . 4999 1 21 . LEU . 4999 1 22 . ILE . 4999 1 23 . ARG . 4999 1 24 . GLU . 4999 1 25 . ASP . 4999 1 26 . GLU . 4999 1 27 . PHE . 4999 1 28 . ARG . 4999 1 29 . ASP . 4999 1 30 . GLU . 4999 1 31 . ILE . 4999 1 32 . ARG . 4999 1 33 . ASN . 4999 1 34 . PRO . 4999 1 35 . VAL . 4999 1 36 . TYR . 4999 1 37 . GLN . 4999 1 38 . GLU . 4999 1 39 . ARG . 4999 1 40 . ASP . 4999 1 41 . THR . 4999 1 42 . GLU . 4999 1 43 . PRO . 4999 1 44 . ARG . 4999 1 45 . ALA . 4999 1 46 . SER . 4999 1 47 . ASN . 4999 1 48 . ALA . 4999 1 49 . SER . 4999 1 50 . ARG . 4999 1 51 . LEU . 4999 1 52 . LEU . 4999 1 53 . PRO . 4999 1 54 . SER . 4999 1 55 . LYS . 4999 1 56 . GLU . 4999 1 57 . LYS . 4999 1 58 . PRO . 4999 1 59 . THR . 4999 1 60 . MET . 4999 1 61 . HIS . 4999 1 62 . SER . 4999 1 63 . LEU . 4999 1 64 . ARG . 4999 1 65 . LEU . 4999 1 66 . VAL . 4999 1 67 . ILE . 4999 1 68 . GLU . 4999 1 69 . SER . 4999 1 70 . SER . 4999 1 71 . PRO . 4999 1 72 . LEU . 4999 1 73 . SER . 4999 1 74 . ARG . 4999 1 75 . ALA . 4999 1 76 . GLU . 4999 1 77 . LYS . 4999 1 78 . ALA . 4999 1 79 . ALA . 4999 1 80 . TYR . 4999 1 81 . VAL . 4999 1 82 . LYS . 4999 1 83 . SER . 4999 1 84 . LEU . 4999 1 85 . SER . 4999 1 86 . LYS . 4999 1 87 . CYS . 4999 1 88 . LYS . 4999 1 89 . THR . 4999 1 90 . ASP . 4999 1 91 . GLN . 4999 1 92 . GLU . 4999 1 93 . VAL . 4999 1 94 . LYS . 4999 1 95 . ALA . 4999 1 96 . VAL . 4999 1 97 . MET . 4999 1 98 . GLU . 4999 1 99 . LEU . 4999 1 100 . VAL . 4999 1 101 . GLU . 4999 1 102 . GLU . 4999 1 103 . ASP . 4999 1 104 . ILE . 4999 1 105 . GLU . 4999 1 106 . SER . 4999 1 107 . LEU . 4999 1 108 . THR . 4999 1 109 . ASN . 4999 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 4999 1 . ARG 2 2 4999 1 . GLY 3 3 4999 1 . SER 4 4 4999 1 . HIS 5 5 4999 1 . HIS 6 6 4999 1 . HIS 7 7 4999 1 . HIS 8 8 4999 1 . HIS 9 9 4999 1 . HIS 10 10 4999 1 . ILE 11 11 4999 1 . GLU 12 12 4999 1 . GLY 13 13 4999 1 . ARG 14 14 4999 1 . MET 15 15 4999 1 . LYS 16 16 4999 1 . TYR 17 17 4999 1 . LYS 18 18 4999 1 . PRO 19 19 4999 1 . ASP 20 20 4999 1 . LEU 21 21 4999 1 . ILE 22 22 4999 1 . ARG 23 23 4999 1 . GLU 24 24 4999 1 . ASP 25 25 4999 1 . GLU 26 26 4999 1 . PHE 27 27 4999 1 . ARG 28 28 4999 1 . ASP 29 29 4999 1 . GLU 30 30 4999 1 . ILE 31 31 4999 1 . ARG 32 32 4999 1 . ASN 33 33 4999 1 . PRO 34 34 4999 1 . VAL 35 35 4999 1 . TYR 36 36 4999 1 . GLN 37 37 4999 1 . GLU 38 38 4999 1 . ARG 39 39 4999 1 . ASP 40 40 4999 1 . THR 41 41 4999 1 . GLU 42 42 4999 1 . PRO 43 43 4999 1 . ARG 44 44 4999 1 . ALA 45 45 4999 1 . SER 46 46 4999 1 . ASN 47 47 4999 1 . ALA 48 48 4999 1 . SER 49 49 4999 1 . ARG 50 50 4999 1 . LEU 51 51 4999 1 . LEU 52 52 4999 1 . PRO 53 53 4999 1 . SER 54 54 4999 1 . LYS 55 55 4999 1 . GLU 56 56 4999 1 . LYS 57 57 4999 1 . PRO 58 58 4999 1 . THR 59 59 4999 1 . MET 60 60 4999 1 . HIS 61 61 4999 1 . SER 62 62 4999 1 . LEU 63 63 4999 1 . ARG 64 64 4999 1 . LEU 65 65 4999 1 . VAL 66 66 4999 1 . ILE 67 67 4999 1 . GLU 68 68 4999 1 . SER 69 69 4999 1 . SER 70 70 4999 1 . PRO 71 71 4999 1 . LEU 72 72 4999 1 . SER 73 73 4999 1 . ARG 74 74 4999 1 . ALA 75 75 4999 1 . GLU 76 76 4999 1 . LYS 77 77 4999 1 . ALA 78 78 4999 1 . ALA 79 79 4999 1 . TYR 80 80 4999 1 . VAL 81 81 4999 1 . LYS 82 82 4999 1 . SER 83 83 4999 1 . LEU 84 84 4999 1 . SER 85 85 4999 1 . LYS 86 86 4999 1 . CYS 87 87 4999 1 . LYS 88 88 4999 1 . THR 89 89 4999 1 . ASP 90 90 4999 1 . GLN 91 91 4999 1 . GLU 92 92 4999 1 . VAL 93 93 4999 1 . LYS 94 94 4999 1 . ALA 95 95 4999 1 . VAL 96 96 4999 1 . MET 97 97 4999 1 . GLU 98 98 4999 1 . LEU 99 99 4999 1 . VAL 100 100 4999 1 . GLU 101 101 4999 1 . GLU 102 102 4999 1 . ASP 103 103 4999 1 . ILE 104 104 4999 1 . GLU 105 105 4999 1 . SER 106 106 4999 1 . LEU 107 107 4999 1 . THR 108 108 4999 1 . ASN 109 109 4999 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 4999 _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 $X-protein . 11196 . . 'Paramyxovirus Sendai virus' 'Sendai virus (strain Harris)' . . . . Paramyxovirus 'Sendai virus' . . . . . . . . . . . . . . . . phosphoprotein . . . . 4999 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 4999 _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 $X-protein . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli 'BL21 (DE3)' . . . . . . . . . . . . . . . . . . . . . . 4999 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4999 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'X-protein of the sendai virus' '[U-15N; U-13C]' . . 1 $X-protein . . 1.3 . . mM . . . . 4999 1 2 'potassium phosphate' . . . . . . . 50 . . mM . . . . 4999 1 3 NaCl . . . . . . . 0.5 . . M . . . . 4999 1 4 DTT . . . . . . . 10 . . mM . . . . 4999 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 4999 _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' 0.5 . M 4999 1 pH 6.0 0.2 n/a 4999 1 temperature 298 1 K 4999 1 stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Software.Sf_category software _Software.Sf_framecode FELIX _Software.Entry_ID 4999 _Software.ID 1 _Software.Name FELIX _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 4999 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 4999 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4999 _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 NMR_spectrometer Varian INOVA . 600 . . . 4999 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 4999 _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 '1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4999 1 2 MQ-HNCOCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4999 1 3 MQ-COHNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4999 1 4 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4999 1 5 CBCANH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4999 1 6 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4999 1 7 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4999 1 8 (HCA)CO(CA)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4999 1 9 H(CC)(CO)NH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4999 1 10 (H)CC(CO)NH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4999 1 11 HC(C)H-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4999 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4999 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4999 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name MQ-HNCOCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4999 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name MQ-COHNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4999 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4999 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name CBCANH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 4999 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 4999 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 4999 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name (HCA)CO(CA)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 4999 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name H(CC)(CO)NH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 4999 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name (H)CC(CO)NH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 4999 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name HC(C)H-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4999 _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 0.0 . indirect 0.251449530 . . . . . . . . . 4999 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 4999 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4999 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 4999 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 4999 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ARG HA H 1 4.43 0.05 . 1 . . . . . . . . 4999 1 2 . 1 1 2 2 ARG HB2 H 1 1.90 0.05 . 2 . . . . . . . . 4999 1 3 . 1 1 2 2 ARG HB3 H 1 1.85 0.05 . 2 . . . . . . . . 4999 1 4 . 1 1 2 2 ARG HG2 H 1 1.71 0.05 . 1 . . . . . . . . 4999 1 5 . 1 1 2 2 ARG HG3 H 1 1.71 0.05 . 1 . . . . . . . . 4999 1 6 . 1 1 2 2 ARG HD2 H 1 3.23 0.05 . 1 . . . . . . . . 4999 1 7 . 1 1 2 2 ARG HD3 H 1 3.23 0.05 . 1 . . . . . . . . 4999 1 8 . 1 1 2 2 ARG CA C 13 56.7 0.2 . 1 . . . . . . . . 4999 1 9 . 1 1 2 2 ARG CB C 13 30.8 0.2 . 1 . . . . . . . . 4999 1 10 . 1 1 2 2 ARG CG C 13 27.2 0.2 . 1 . . . . . . . . 4999 1 11 . 1 1 2 2 ARG CD C 13 43.5 0.2 . 1 . . . . . . . . 4999 1 12 . 1 1 3 3 GLY H H 1 8.62 0.02 . 1 . . . . . . . . 4999 1 13 . 1 1 3 3 GLY HA2 H 1 4.03 0.05 . 1 . . . . . . . . 4999 1 14 . 1 1 3 3 GLY HA3 H 1 4.03 0.05 . 1 . . . . . . . . 4999 1 15 . 1 1 3 3 GLY C C 13 174.0 0.2 . 1 . . . . . . . . 4999 1 16 . 1 1 3 3 GLY CA C 13 45.3 0.2 . 1 . . . . . . . . 4999 1 17 . 1 1 3 3 GLY N N 15 111.1 0.2 . 1 . . . . . . . . 4999 1 18 . 1 1 4 4 SER H H 1 8.21 0.02 . 1 . . . . . . . . 4999 1 19 . 1 1 4 4 SER HA H 1 4.42 0.05 . 1 . . . . . . . . 4999 1 20 . 1 1 4 4 SER HB2 H 1 3.81 0.05 . 1 . . . . . . . . 4999 1 21 . 1 1 4 4 SER HB3 H 1 3.81 0.05 . 1 . . . . . . . . 4999 1 22 . 1 1 4 4 SER C C 13 174.5 0.2 . 1 . . . . . . . . 4999 1 23 . 1 1 4 4 SER CA C 13 58.3 0.2 . 1 . . . . . . . . 4999 1 24 . 1 1 4 4 SER CB C 13 64.0 0.2 . 1 . . . . . . . . 4999 1 25 . 1 1 4 4 SER N N 15 115.3 0.2 . 1 . . . . . . . . 4999 1 26 . 1 1 5 5 HIS H H 1 8.5 0.2 . 1 . . . . . . . . 4999 1 27 . 1 1 5 5 HIS HA H 1 4.66 0.05 . 1 . . . . . . . . 4999 1 28 . 1 1 5 5 HIS HB2 H 1 3.19 0.05 . 2 . . . . . . . . 4999 1 29 . 1 1 5 5 HIS HB3 H 1 3.10 0.05 . 2 . . . . . . . . 4999 1 30 . 1 1 5 5 HIS C C 13 174.4 0.2 . 1 . . . . . . . . 4999 1 31 . 1 1 5 5 HIS CA C 13 55.7 0.2 . 1 . . . . . . . . 4999 1 32 . 1 1 5 5 HIS CB C 13 29.6 0.2 . 1 . . . . . . . . 4999 1 33 . 1 1 5 5 HIS N N 15 120.5 0.2 . 1 . . . . . . . . 4999 1 34 . 1 1 10 10 HIS HA H 1 4.71 0.05 . 1 . . . . . . . . 4999 1 35 . 1 1 10 10 HIS HB2 H 1 3.20 0.05 . 1 . . . . . . . . 4999 1 36 . 1 1 10 10 HIS HB3 H 1 3.20 0.05 . 1 . . . . . . . . 4999 1 37 . 1 1 10 10 HIS CA C 13 55.9 0.2 . 1 . . . . . . . . 4999 1 38 . 1 1 10 10 HIS CB C 13 29.6 0.2 . 1 . . . . . . . . 4999 1 39 . 1 1 11 11 ILE H H 1 8.27 0.02 . 1 . . . . . . . . 4999 1 40 . 1 1 11 11 ILE HA H 1 4.16 0.05 . 1 . . . . . . . . 4999 1 41 . 1 1 11 11 ILE HB H 1 1.81 0.05 . 1 . . . . . . . . 4999 1 42 . 1 1 11 11 ILE HG12 H 1 1.43 0.05 . 2 . . . . . . . . 4999 1 43 . 1 1 11 11 ILE HG13 H 1 1.14 0.05 . 2 . . . . . . . . 4999 1 44 . 1 1 11 11 ILE HG21 H 1 0.87 0.05 . 1 . . . . . . . . 4999 1 45 . 1 1 11 11 ILE HG22 H 1 0.87 0.05 . 1 . . . . . . . . 4999 1 46 . 1 1 11 11 ILE HG23 H 1 0.87 0.05 . 1 . . . . . . . . 4999 1 47 . 1 1 11 11 ILE HD11 H 1 0.83 0.05 . 1 . . . . . . . . 4999 1 48 . 1 1 11 11 ILE HD12 H 1 0.83 0.05 . 1 . . . . . . . . 4999 1 49 . 1 1 11 11 ILE HD13 H 1 0.83 0.05 . 1 . . . . . . . . 4999 1 50 . 1 1 11 11 ILE C C 13 175.9 0.2 . 1 . . . . . . . . 4999 1 51 . 1 1 11 11 ILE CA C 13 61.1 0.2 . 1 . . . . . . . . 4999 1 52 . 1 1 11 11 ILE CB C 13 38.9 0.2 . 1 . . . . . . . . 4999 1 53 . 1 1 11 11 ILE CG1 C 13 27.3 0.2 . 1 . . . . . . . . 4999 1 54 . 1 1 11 11 ILE CG2 C 13 17.6 0.2 . 1 . . . . . . . . 4999 1 55 . 1 1 11 11 ILE CD1 C 13 13.1 0.2 . 1 . . . . . . . . 4999 1 56 . 1 1 11 11 ILE N N 15 123.4 0.2 . 1 . . . . . . . . 4999 1 57 . 1 1 12 12 GLU H H 1 8.57 0.02 . 1 . . . . . . . . 4999 1 58 . 1 1 12 12 GLU HA H 1 4.30 0.05 . 1 . . . . . . . . 4999 1 59 . 1 1 12 12 GLU HB2 H 1 2.08 0.05 . 2 . . . . . . . . 4999 1 60 . 1 1 12 12 GLU HB3 H 1 1.98 0.05 . 2 . . . . . . . . 4999 1 61 . 1 1 12 12 GLU HG2 H 1 2.32 0.05 . 1 . . . . . . . . 4999 1 62 . 1 1 12 12 GLU HG3 H 1 2.32 0.05 . 1 . . . . . . . . 4999 1 63 . 1 1 12 12 GLU C C 13 176.9 0.2 . 1 . . . . . . . . 4999 1 64 . 1 1 12 12 GLU CA C 13 56.8 0.2 . 1 . . . . . . . . 4999 1 65 . 1 1 12 12 GLU CB C 13 30.3 0.2 . 1 . . . . . . . . 4999 1 66 . 1 1 12 12 GLU CG C 13 36.2 0.2 . 1 . . . . . . . . 4999 1 67 . 1 1 12 12 GLU N N 15 125.4 0.2 . 1 . . . . . . . . 4999 1 68 . 1 1 13 13 GLY H H 1 8.46 0.02 . 1 . . . . . . . . 4999 1 69 . 1 1 13 13 GLY HA2 H 1 3.99 0.05 . 1 . . . . . . . . 4999 1 70 . 1 1 13 13 GLY HA3 H 1 3.99 0.05 . 1 . . . . . . . . 4999 1 71 . 1 1 13 13 GLY C C 13 174.2 0.2 . 1 . . . . . . . . 4999 1 72 . 1 1 13 13 GLY CA C 13 45.6 0.2 . 1 . . . . . . . . 4999 1 73 . 1 1 13 13 GLY N N 15 110.5 0.2 . 1 . . . . . . . . 4999 1 74 . 1 1 14 14 ARG H H 1 8.18 0.02 . 1 . . . . . . . . 4999 1 75 . 1 1 14 14 ARG HA H 1 4.36 0.05 . 1 . . . . . . . . 4999 1 76 . 1 1 14 14 ARG HB2 H 1 1.89 0.05 . 2 . . . . . . . . 4999 1 77 . 1 1 14 14 ARG HB3 H 1 1.80 0.05 . 2 . . . . . . . . 4999 1 78 . 1 1 14 14 ARG HG2 H 1 1.63 0.05 . 1 . . . . . . . . 4999 1 79 . 1 1 14 14 ARG HG3 H 1 1.63 0.05 . 1 . . . . . . . . 4999 1 80 . 1 1 14 14 ARG HD2 H 1 3.21 0.05 . 1 . . . . . . . . 4999 1 81 . 1 1 14 14 ARG HD3 H 1 3.21 0.05 . 1 . . . . . . . . 4999 1 82 . 1 1 14 14 ARG C C 13 176.4 0.2 . 1 . . . . . . . . 4999 1 83 . 1 1 14 14 ARG CA C 13 56.2 0.2 . 1 . . . . . . . . 4999 1 84 . 1 1 14 14 ARG CB C 13 30.9 0.2 . 1 . . . . . . . . 4999 1 85 . 1 1 14 14 ARG CG C 13 27.2 0.2 . 1 . . . . . . . . 4999 1 86 . 1 1 14 14 ARG CD C 13 43.5 0.2 . 1 . . . . . . . . 4999 1 87 . 1 1 14 14 ARG N N 15 120.3 0.2 . 1 . . . . . . . . 4999 1 88 . 1 1 15 15 MET H H 1 8.41 0.02 . 1 . . . . . . . . 4999 1 89 . 1 1 15 15 MET HA H 1 4.45 0.05 . 1 . . . . . . . . 4999 1 90 . 1 1 15 15 MET HB2 H 1 2.02 0.05 . 2 . . . . . . . . 4999 1 91 . 1 1 15 15 MET HB3 H 1 1.96 0.05 . 2 . . . . . . . . 4999 1 92 . 1 1 15 15 MET HG2 H 1 2.58 0.05 . 2 . . . . . . . . 4999 1 93 . 1 1 15 15 MET HG3 H 1 2.52 0.05 . 2 . . . . . . . . 4999 1 94 . 1 1 15 15 MET C C 13 175.8 0.2 . 1 . . . . . . . . 4999 1 95 . 1 1 15 15 MET CA C 13 55.6 0.2 . 1 . . . . . . . . 4999 1 96 . 1 1 15 15 MET CB C 13 32.7 0.2 . 1 . . . . . . . . 4999 1 97 . 1 1 15 15 MET CG C 13 32.2 0.2 . 1 . . . . . . . . 4999 1 98 . 1 1 15 15 MET N N 15 121.2 0.2 . 1 . . . . . . . . 4999 1 99 . 1 1 16 16 LYS H H 1 8.27 0.02 . 1 . . . . . . . . 4999 1 100 . 1 1 16 16 LYS HA H 1 4.44 0.05 . 1 . . . . . . . . 4999 1 101 . 1 1 16 16 LYS HD2 H 1 2.44 0.05 . 2 . . . . . . . . 4999 1 102 . 1 1 16 16 LYS C C 13 175.5 0.2 . 1 . . . . . . . . 4999 1 103 . 1 1 16 16 LYS CA C 13 55.5 0.2 . 1 . . . . . . . . 4999 1 104 . 1 1 16 16 LYS CB C 13 32.9 0.2 . 1 . . . . . . . . 4999 1 105 . 1 1 16 16 LYS CD C 13 32.0 0.2 . 1 . . . . . . . . 4999 1 106 . 1 1 16 16 LYS N N 15 121.1 0.2 . 1 . . . . . . . . 4999 1 107 . 1 1 17 17 TYR H H 1 8.14 0.02 . 1 . . . . . . . . 4999 1 108 . 1 1 17 17 TYR HA H 1 4.60 0.05 . 1 . . . . . . . . 4999 1 109 . 1 1 17 17 TYR HB2 H 1 3.05 0.05 . 2 . . . . . . . . 4999 1 110 . 1 1 17 17 TYR HB3 H 1 2.96 0.05 . 2 . . . . . . . . 4999 1 111 . 1 1 17 17 TYR C C 13 175.0 0.2 . 1 . . . . . . . . 4999 1 112 . 1 1 17 17 TYR CA C 13 57.7 0.2 . 1 . . . . . . . . 4999 1 113 . 1 1 17 17 TYR CB C 13 39.0 0.2 . 1 . . . . . . . . 4999 1 114 . 1 1 17 17 TYR N N 15 121.4 0.2 . 1 . . . . . . . . 4999 1 115 . 1 1 18 18 LYS H H 1 8.09 0.02 . 1 . . . . . . . . 4999 1 116 . 1 1 18 18 LYS HA H 1 4.57 0.05 . 1 . . . . . . . . 4999 1 117 . 1 1 18 18 LYS HB2 H 1 1.87 0.05 . 2 . . . . . . . . 4999 1 118 . 1 1 18 18 LYS HB3 H 1 1.78 0.05 . 2 . . . . . . . . 4999 1 119 . 1 1 18 18 LYS HG2 H 1 1.52 0.05 . 1 . . . . . . . . 4999 1 120 . 1 1 18 18 LYS HG3 H 1 1.52 0.05 . 1 . . . . . . . . 4999 1 121 . 1 1 18 18 LYS HD2 H 1 1.73 0.05 . 1 . . . . . . . . 4999 1 122 . 1 1 18 18 LYS HD3 H 1 1.73 0.05 . 1 . . . . . . . . 4999 1 123 . 1 1 18 18 LYS HE2 H 1 3.04 0.05 . 1 . . . . . . . . 4999 1 124 . 1 1 18 18 LYS HE3 H 1 3.04 0.05 . 1 . . . . . . . . 4999 1 125 . 1 1 18 18 LYS C C 13 174.1 0.05 . 1 . . . . . . . . 4999 1 126 . 1 1 18 18 LYS CA C 13 53.9 0.2 . 1 . . . . . . . . 4999 1 127 . 1 1 18 18 LYS CB C 13 32.9 0.2 . 1 . . . . . . . . 4999 1 128 . 1 1 18 18 LYS CG C 13 24.8 0.2 . 1 . . . . . . . . 4999 1 129 . 1 1 18 18 LYS CD C 13 29.4 0.2 . 1 . . . . . . . . 4999 1 130 . 1 1 18 18 LYS CE C 13 42.1 0.2 . 1 . . . . . . . . 4999 1 131 . 1 1 18 18 LYS N N 15 124.8 0.2 . 1 . . . . . . . . 4999 1 132 . 1 1 19 19 PRO HA H 1 4.36 0.05 . 1 . . . . . . . . 4999 1 133 . 1 1 19 19 PRO HB2 H 1 2.30 0.05 . 2 . . . . . . . . 4999 1 134 . 1 1 19 19 PRO HB3 H 1 1.93 0.05 . 2 . . . . . . . . 4999 1 135 . 1 1 19 19 PRO HG2 H 1 1.99 0.05 . 1 . . . . . . . . 4999 1 136 . 1 1 19 19 PRO HG3 H 1 1.99 0.05 . 1 . . . . . . . . 4999 1 137 . 1 1 19 19 PRO HD2 H 1 3.59 0.05 . 1 . . . . . . . . 4999 1 138 . 1 1 19 19 PRO HD3 H 1 3.59 0.05 . 1 . . . . . . . . 4999 1 139 . 1 1 19 19 PRO C C 13 176.6 0.2 . 1 . . . . . . . . 4999 1 140 . 1 1 19 19 PRO CA C 13 63.5 0.2 . 1 . . . . . . . . 4999 1 141 . 1 1 19 19 PRO CB C 13 32.1 0.2 . 1 . . . . . . . . 4999 1 142 . 1 1 19 19 PRO CG C 13 27.3 0.2 . 1 . . . . . . . . 4999 1 143 . 1 1 19 19 PRO CD C 13 50.7 0.2 . 1 . . . . . . . . 4999 1 144 . 1 1 20 20 ASP H H 1 8.37 0.02 . 1 . . . . . . . . 4999 1 145 . 1 1 20 20 ASP HA H 1 4.56 0.05 . 1 . . . . . . . . 4999 1 146 . 1 1 20 20 ASP HB2 H 1 2.72 0.05 . 2 . . . . . . . . 4999 1 147 . 1 1 20 20 ASP HB3 H 1 2.63 0.05 . 2 . . . . . . . . 4999 1 148 . 1 1 20 20 ASP C C 13 176.1 0.2 . 1 . . . . . . . . 4999 1 149 . 1 1 20 20 ASP CA C 13 54.5 0.2 . 1 . . . . . . . . 4999 1 150 . 1 1 20 20 ASP CB C 13 40.9 0.2 . 1 . . . . . . . . 4999 1 151 . 1 1 20 20 ASP N N 15 119.2 0.2 . 1 . . . . . . . . 4999 1 152 . 1 1 21 21 LEU H H 1 7.99 0.02 . 1 . . . . . . . . 4999 1 153 . 1 1 21 21 LEU HA H 1 4.35 0.05 . 1 . . . . . . . . 4999 1 154 . 1 1 21 21 LEU HB2 H 1 1.62 0.05 . 1 . . . . . . . . 4999 1 155 . 1 1 21 21 LEU HB3 H 1 1.62 0.05 . 1 . . . . . . . . 4999 1 156 . 1 1 21 21 LEU HG H 1 1.62 0.05 . 1 . . . . . . . . 4999 1 157 . 1 1 21 21 LEU HD11 H 1 0.93 0.05 . 2 . . . . . . . . 4999 1 158 . 1 1 21 21 LEU HD12 H 1 0.93 0.05 . 2 . . . . . . . . 4999 1 159 . 1 1 21 21 LEU HD13 H 1 0.93 0.05 . 2 . . . . . . . . 4999 1 160 . 1 1 21 21 LEU HD21 H 1 0.87 0.05 . 2 . . . . . . . . 4999 1 161 . 1 1 21 21 LEU HD22 H 1 0.87 0.05 . 2 . . . . . . . . 4999 1 162 . 1 1 21 21 LEU HD23 H 1 0.87 0.05 . 2 . . . . . . . . 4999 1 163 . 1 1 21 21 LEU C C 13 177.1 0.2 . 1 . . . . . . . . 4999 1 164 . 1 1 21 21 LEU CA C 13 55.4 0.2 . 1 . . . . . . . . 4999 1 165 . 1 1 21 21 LEU CB C 13 42.5 0.2 . 1 . . . . . . . . 4999 1 166 . 1 1 21 21 LEU CG C 13 27.1 0.2 . 1 . . . . . . . . 4999 1 167 . 1 1 21 21 LEU CD1 C 13 25.1 0.2 . 2 . . . . . . . . 4999 1 168 . 1 1 21 21 LEU CD2 C 13 23.1 0.2 . 2 . . . . . . . . 4999 1 169 . 1 1 21 21 LEU N N 15 121.6 0.2 . 1 . . . . . . . . 4999 1 170 . 1 1 22 22 ILE H H 1 8.05 0.02 . 1 . . . . . . . . 4999 1 171 . 1 1 22 22 ILE HA H 1 4.16 0.05 . 1 . . . . . . . . 4999 1 172 . 1 1 22 22 ILE HB H 1 1.90 0.05 . 1 . . . . . . . . 4999 1 173 . 1 1 22 22 ILE HG12 H 1 1.49 0.05 . 2 . . . . . . . . 4999 1 174 . 1 1 22 22 ILE HG13 H 1 1.20 0.05 . 2 . . . . . . . . 4999 1 175 . 1 1 22 22 ILE HG21 H 1 0.90 0.05 . 1 . . . . . . . . 4999 1 176 . 1 1 22 22 ILE HG22 H 1 0.90 0.05 . 1 . . . . . . . . 4999 1 177 . 1 1 22 22 ILE HG23 H 1 0.90 0.05 . 1 . . . . . . . . 4999 1 178 . 1 1 22 22 ILE HD11 H 1 0.86 0.05 . 1 . . . . . . . . 4999 1 179 . 1 1 22 22 ILE HD12 H 1 0.86 0.05 . 1 . . . . . . . . 4999 1 180 . 1 1 22 22 ILE HD13 H 1 0.86 0.05 . 1 . . . . . . . . 4999 1 181 . 1 1 22 22 ILE C C 13 176.2 0.2 . 1 . . . . . . . . 4999 1 182 . 1 1 22 22 ILE CA C 13 61.2 0.2 . 1 . . . . . . . . 4999 1 183 . 1 1 22 22 ILE CB C 13 38.4 0.2 . 1 . . . . . . . . 4999 1 184 . 1 1 22 22 ILE CG1 C 13 27.3 0.2 . 1 . . . . . . . . 4999 1 185 . 1 1 22 22 ILE CG2 C 13 17.6 0.2 . 1 . . . . . . . . 4999 1 186 . 1 1 22 22 ILE CD1 C 13 12.9 0.2 . 1 . . . . . . . . 4999 1 187 . 1 1 22 22 ILE N N 15 121.7 0.2 . 1 . . . . . . . . 4999 1 188 . 1 1 23 23 ARG H H 1 8.38 0.02 . 1 . . . . . . . . 4999 1 189 . 1 1 23 23 ARG HA H 1 4.39 0.05 . 1 . . . . . . . . 4999 1 190 . 1 1 23 23 ARG HB2 H 1 1.90 0.05 . 2 . . . . . . . . 4999 1 191 . 1 1 23 23 ARG HB3 H 1 1.78 0.05 . 2 . . . . . . . . 4999 1 192 . 1 1 23 23 ARG HG2 H 1 1.66 0.05 . 2 . . . . . . . . 4999 1 193 . 1 1 23 23 ARG HG3 H 1 1.62 0.05 . 2 . . . . . . . . 4999 1 194 . 1 1 23 23 ARG HD2 H 1 3.21 0.05 . 1 . . . . . . . . 4999 1 195 . 1 1 23 23 ARG HD3 H 1 3.21 0.05 . 1 . . . . . . . . 4999 1 196 . 1 1 23 23 ARG C C 13 176.5 0.2 . 1 . . . . . . . . 4999 1 197 . 1 1 23 23 ARG CA C 13 56.1 0.2 . 1 . . . . . . . . 4999 1 198 . 1 1 23 23 ARG CB C 13 31.1 0.2 . 1 . . . . . . . . 4999 1 199 . 1 1 23 23 ARG CG C 13 27.3 0.2 . 1 . . . . . . . . 4999 1 200 . 1 1 23 23 ARG CD C 13 43.4 0.2 . 1 . . . . . . . . 4999 1 201 . 1 1 23 23 ARG N N 15 125.1 0.2 . 1 . . . . . . . . 4999 1 202 . 1 1 24 24 GLU H H 1 8.54 0.02 . 1 . . . . . . . . 4999 1 203 . 1 1 24 24 GLU HA H 1 4.25 0.05 . 1 . . . . . . . . 4999 1 204 . 1 1 24 24 GLU HB2 H 1 2.09 0.05 . 2 . . . . . . . . 4999 1 205 . 1 1 24 24 GLU HB3 H 1 1.98 0.05 . 2 . . . . . . . . 4999 1 206 . 1 1 24 24 GLU HG2 H 1 2.31 0.05 . 1 . . . . . . . . 4999 1 207 . 1 1 24 24 GLU HG3 H 1 2.31 0.05 . 1 . . . . . . . . 4999 1 208 . 1 1 24 24 GLU C C 13 176.4 0.2 . 1 . . . . . . . . 4999 1 209 . 1 1 24 24 GLU CA C 13 57.2 0.2 . 1 . . . . . . . . 4999 1 210 . 1 1 24 24 GLU CB C 13 30.2 0.2 . 1 . . . . . . . . 4999 1 211 . 1 1 24 24 GLU CG C 13 36.3 0.2 . 1 . . . . . . . . 4999 1 212 . 1 1 24 24 GLU N N 15 122.1 0.2 . 1 . . . . . . . . 4999 1 213 . 1 1 25 25 ASP H H 1 8.36 0.02 . 1 . . . . . . . . 4999 1 214 . 1 1 25 25 ASP HA H 1 4.57 0.05 . 1 . . . . . . . . 4999 1 215 . 1 1 25 25 ASP HB2 H 1 2.68 0.05 . 1 . . . . . . . . 4999 1 216 . 1 1 25 25 ASP HB3 H 1 2.68 0.05 . 1 . . . . . . . . 4999 1 217 . 1 1 25 25 ASP C C 13 176.4 0.2 . 1 . . . . . . . . 4999 1 218 . 1 1 25 25 ASP CA C 13 54.7 0.2 . 1 . . . . . . . . 4999 1 219 . 1 1 25 25 ASP CB C 13 41.1 0.2 . 1 . . . . . . . . 4999 1 220 . 1 1 25 25 ASP N N 15 120.2 0.2 . 1 . . . . . . . . 4999 1 221 . 1 1 26 26 GLU H H 1 8.20 0.02 . 1 . . . . . . . . 4999 1 222 . 1 1 26 26 GLU HA H 1 4.18 0.05 . 1 . . . . . . . . 4999 1 223 . 1 1 26 26 GLU HB2 H 1 1.90 0.05 . 1 . . . . . . . . 4999 1 224 . 1 1 26 26 GLU HB3 H 1 1.90 0.05 . 1 . . . . . . . . 4999 1 225 . 1 1 26 26 GLU HG2 H 1 2.14 0.05 . 2 . . . . . . . . 4999 1 226 . 1 1 26 26 GLU HG3 H 1 2.05 0.05 . 2 . . . . . . . . 4999 1 227 . 1 1 26 26 GLU C C 13 176.3 0.2 . 1 . . . . . . . . 4999 1 228 . 1 1 26 26 GLU CA C 13 57.1 0.2 . 1 . . . . . . . . 4999 1 229 . 1 1 26 26 GLU CB C 13 30.2 0.2 . 1 . . . . . . . . 4999 1 230 . 1 1 26 26 GLU CG C 13 36.1 0.2 . 1 . . . . . . . . 4999 1 231 . 1 1 26 26 GLU N N 15 120.5 0.2 . 1 . . . . . . . . 4999 1 232 . 1 1 27 27 PHE H H 1 8.19 0.02 . 1 . . . . . . . . 4999 1 233 . 1 1 27 27 PHE HA H 1 4.63 0.05 . 1 . . . . . . . . 4999 1 234 . 1 1 27 27 PHE HB2 H 1 3.19 0.05 . 2 . . . . . . . . 4999 1 235 . 1 1 27 27 PHE HB3 H 1 3.03 0.05 . 2 . . . . . . . . 4999 1 236 . 1 1 27 27 PHE C C 13 175.8 0.2 . 1 . . . . . . . . 4999 1 237 . 1 1 27 27 PHE CA C 13 57.9 0.2 . 1 . . . . . . . . 4999 1 238 . 1 1 27 27 PHE CB C 13 39.2 0.2 . 1 . . . . . . . . 4999 1 239 . 1 1 27 27 PHE N N 15 120.2 0.2 . 1 . . . . . . . . 4999 1 240 . 1 1 28 28 ARG H H 1 8.02 0.02 . 1 . . . . . . . . 4999 1 241 . 1 1 28 28 ARG HA H 1 4.29 0.05 . 1 . . . . . . . . 4999 1 242 . 1 1 28 28 ARG HB2 H 1 1.87 0.05 . 2 . . . . . . . . 4999 1 243 . 1 1 28 28 ARG HB3 H 1 1.77 0.05 . 2 . . . . . . . . 4999 1 244 . 1 1 28 28 ARG HG2 H 1 1.60 0.05 . 1 . . . . . . . . 4999 1 245 . 1 1 28 28 ARG HG3 H 1 1.60 0.05 . 1 . . . . . . . . 4999 1 246 . 1 1 28 28 ARG HD2 H 1 3.21 0.05 . 1 . . . . . . . . 4999 1 247 . 1 1 28 28 ARG HD3 H 1 3.21 0.05 . 1 . . . . . . . . 4999 1 248 . 1 1 28 28 ARG C C 13 176.1 0.2 . 1 . . . . . . . . 4999 1 249 . 1 1 28 28 ARG CA C 13 56.2 0.2 . 1 . . . . . . . . 4999 1 250 . 1 1 28 28 ARG CB C 13 31.1 0.2 . 1 . . . . . . . . 4999 1 251 . 1 1 28 28 ARG CG C 13 27.1 0.2 . 1 . . . . . . . . 4999 1 252 . 1 1 28 28 ARG CD C 13 43.5 0.2 . 1 . . . . . . . . 4999 1 253 . 1 1 28 28 ARG N N 15 122.2 0.2 . 1 . . . . . . . . 4999 1 254 . 1 1 29 29 ASP H H 1 8.29 0.02 . 1 . . . . . . . . 4999 1 255 . 1 1 29 29 ASP HA H 1 4.57 0.05 . 1 . . . . . . . . 4999 1 256 . 1 1 29 29 ASP HB2 H 1 2.75 0.05 . 2 . . . . . . . . 4999 1 257 . 1 1 29 29 ASP HB3 H 1 2.62 0.05 . 2 . . . . . . . . 4999 1 258 . 1 1 29 29 ASP C C 13 176.2 0.2 . 1 . . . . . . . . 4999 1 259 . 1 1 29 29 ASP CA C 13 54.7 0.2 . 1 . . . . . . . . 4999 1 260 . 1 1 29 29 ASP CB C 13 41.3 0.2 . 1 . . . . . . . . 4999 1 261 . 1 1 29 29 ASP N N 15 121.5 0.2 . 1 . . . . . . . . 4999 1 262 . 1 1 30 30 GLU H H 1 8.33 0.02 . 1 . . . . . . . . 4999 1 263 . 1 1 30 30 GLU HA H 1 4.28 0.05 . 1 . . . . . . . . 4999 1 264 . 1 1 30 30 GLU HB2 H 1 2.07 0.05 . 2 . . . . . . . . 4999 1 265 . 1 1 30 30 GLU HB3 H 1 1.96 0.05 . 2 . . . . . . . . 4999 1 266 . 1 1 30 30 GLU HG2 H 1 2.30 0.05 . 2 . . . . . . . . 4999 1 267 . 1 1 30 30 GLU HG3 H 1 2.25 0.05 . 2 . . . . . . . . 4999 1 268 . 1 1 30 30 GLU C C 13 176.4 0.2 . 1 . . . . . . . . 4999 1 269 . 1 1 30 30 GLU CA C 13 56.8 0.2 . 1 . . . . . . . . 4999 1 270 . 1 1 30 30 GLU CB C 13 30.3 0.2 . 1 . . . . . . . . 4999 1 271 . 1 1 30 30 GLU CG C 13 36.15 0.2 . 1 . . . . . . . . 4999 1 272 . 1 1 30 30 GLU N N 15 120.7 0.2 . 1 . . . . . . . . 4999 1 273 . 1 1 31 31 ILE H H 1 8.09 0.02 . 1 . . . . . . . . 4999 1 274 . 1 1 31 31 ILE HA H 1 4.12 0.05 . 1 . . . . . . . . 4999 1 275 . 1 1 31 31 ILE HB H 1 1.90 0.05 . 1 . . . . . . . . 4999 1 276 . 1 1 31 31 ILE HG12 H 1 1.49 0.05 . 1 . . . . . . . . 4999 1 277 . 1 1 31 31 ILE HG13 H 1 1.21 0.05 . 1 . . . . . . . . 4999 1 278 . 1 1 31 31 ILE HG21 H 1 0.89 0.05 . 1 . . . . . . . . 4999 1 279 . 1 1 31 31 ILE HG22 H 1 0.89 0.05 . 1 . . . . . . . . 4999 1 280 . 1 1 31 31 ILE HG23 H 1 0.89 0.05 . 1 . . . . . . . . 4999 1 281 . 1 1 31 31 ILE HD11 H 1 0.86 0.05 . 1 . . . . . . . . 4999 1 282 . 1 1 31 31 ILE HD12 H 1 0.86 0.05 . 1 . . . . . . . . 4999 1 283 . 1 1 31 31 ILE HD13 H 1 0.86 0.05 . 1 . . . . . . . . 4999 1 284 . 1 1 31 31 ILE C C 13 176.3 0.2 . 1 . . . . . . . . 4999 1 285 . 1 1 31 31 ILE CA C 13 61.4 0.2 . 1 . . . . . . . . 4999 1 286 . 1 1 31 31 ILE CB C 13 38.2 0.2 . 1 . . . . . . . . 4999 1 287 . 1 1 31 31 ILE CG1 C 13 27.6 0.2 . 1 . . . . . . . . 4999 1 288 . 1 1 31 31 ILE CG2 C 13 17.6 0.2 . 1 . . . . . . . . 4999 1 289 . 1 1 31 31 ILE CD1 C 13 12.9 0.2 . 1 . . . . . . . . 4999 1 290 . 1 1 31 31 ILE N N 15 121.3 0.2 . 1 . . . . . . . . 4999 1 291 . 1 1 32 32 ARG H H 1 8.27 0.02 . 1 . . . . . . . . 4999 1 292 . 1 1 32 32 ARG HA H 1 4.35 0.05 . 1 . . . . . . . . 4999 1 293 . 1 1 32 32 ARG HB2 H 1 1.84 0.05 . 2 . . . . . . . . 4999 1 294 . 1 1 32 32 ARG HB3 H 1 1.76 0.05 . 2 . . . . . . . . 4999 1 295 . 1 1 32 32 ARG HG2 H 1 1.63 0.05 . 2 . . . . . . . . 4999 1 296 . 1 1 32 32 ARG HG3 H 1 1.59 0.05 . 2 . . . . . . . . 4999 1 297 . 1 1 32 32 ARG HD2 H 1 3.18 0.05 . 1 . . . . . . . . 4999 1 298 . 1 1 32 32 ARG HD3 H 1 3.18 0.05 . 1 . . . . . . . . 4999 1 299 . 1 1 32 32 ARG C C 13 175.7 0.2 . 1 . . . . . . . . 4999 1 300 . 1 1 32 32 ARG CA C 13 56.0 0.2 . 1 . . . . . . . . 4999 1 301 . 1 1 32 32 ARG CB C 13 31.0 0.2 . 1 . . . . . . . . 4999 1 302 . 1 1 32 32 ARG CG C 13 27.3 0.2 . 1 . . . . . . . . 4999 1 303 . 1 1 32 32 ARG CD C 13 43.4 0.2 . 1 . . . . . . . . 4999 1 304 . 1 1 32 32 ARG N N 15 124.2 0.2 . 1 . . . . . . . . 4999 1 305 . 1 1 33 33 ASN H H 1 8.38 0.02 . 1 . . . . . . . . 4999 1 306 . 1 1 33 33 ASN HA H 1 4.98 0.05 . 1 . . . . . . . . 4999 1 307 . 1 1 33 33 ASN HB2 H 1 2.84 0.05 . 2 . . . . . . . . 4999 1 308 . 1 1 33 33 ASN HB3 H 1 2.72 0.05 . 2 . . . . . . . . 4999 1 309 . 1 1 33 33 ASN HD21 H 1 7.67 0.02 . 1 . . . . . . . . 4999 1 310 . 1 1 33 33 ASN HD22 H 1 6.93 0.02 . 1 . . . . . . . . 4999 1 311 . 1 1 33 33 ASN C C 13 173.2 0.2 . 1 . . . . . . . . 4999 1 312 . 1 1 33 33 ASN CA C 13 51.1 0.2 . 1 . . . . . . . . 4999 1 313 . 1 1 33 33 ASN CB C 13 39.0 0.2 . 1 . . . . . . . . 4999 1 314 . 1 1 33 33 ASN N N 15 120.7 0.2 . 1 . . . . . . . . 4999 1 315 . 1 1 33 33 ASN ND2 N 15 113.3 0.2 . 1 . . . . . . . . 4999 1 316 . 1 1 34 34 PRO HA H 1 4.43 0.05 . 1 . . . . . . . . 4999 1 317 . 1 1 34 34 PRO HB2 H 1 2.25 0.05 . 2 . . . . . . . . 4999 1 318 . 1 1 34 34 PRO HB3 H 1 1.81 0.05 . 2 . . . . . . . . 4999 1 319 . 1 1 34 34 PRO HG2 H 1 2.01 0.05 . 1 . . . . . . . . 4999 1 320 . 1 1 34 34 PRO HG3 H 1 2.01 0.05 . 1 . . . . . . . . 4999 1 321 . 1 1 34 34 PRO HD2 H 1 3.75 0.05 . 1 . . . . . . . . 4999 1 322 . 1 1 34 34 PRO HD3 H 1 3.75 0.05 . 1 . . . . . . . . 4999 1 323 . 1 1 34 34 PRO C C 13 176.8 0.2 . 1 . . . . . . . . 4999 1 324 . 1 1 34 34 PRO CA C 13 63.5 0.2 . 1 . . . . . . . . 4999 1 325 . 1 1 34 34 PRO CB C 13 32.2 0.2 . 1 . . . . . . . . 4999 1 326 . 1 1 34 34 PRO CG C 13 27.4 0.2 . 1 . . . . . . . . 4999 1 327 . 1 1 34 34 PRO CD C 13 50.8 0.2 . 1 . . . . . . . . 4999 1 328 . 1 1 35 35 VAL H H 1 8.08 0.02 . 1 . . . . . . . . 4999 1 329 . 1 1 35 35 VAL HA H 1 4.03 0.05 . 1 . . . . . . . . 4999 1 330 . 1 1 35 35 VAL HB H 1 1.99 0.05 . 1 . . . . . . . . 4999 1 331 . 1 1 35 35 VAL HG11 H 1 0.91 0.05 . 1 . . . . . . . . 4999 1 332 . 1 1 35 35 VAL HG12 H 1 0.91 0.05 . 1 . . . . . . . . 4999 1 333 . 1 1 35 35 VAL HG13 H 1 0.91 0.05 . 1 . . . . . . . . 4999 1 334 . 1 1 35 35 VAL HG21 H 1 0.84 0.05 . 1 . . . . . . . . 4999 1 335 . 1 1 35 35 VAL HG22 H 1 0.84 0.05 . 1 . . . . . . . . 4999 1 336 . 1 1 35 35 VAL HG23 H 1 0.84 0.05 . 1 . . . . . . . . 4999 1 337 . 1 1 35 35 VAL C C 13 176.1 0.2 . 1 . . . . . . . . 4999 1 338 . 1 1 35 35 VAL CA C 13 62.6 0.2 . 1 . . . . . . . . 4999 1 339 . 1 1 35 35 VAL CB C 13 32.6 0.2 . 1 . . . . . . . . 4999 1 340 . 1 1 35 35 VAL CG1 C 13 21.0 0.2 . 1 . . . . . . . . 4999 1 341 . 1 1 35 35 VAL CG2 C 13 21.0 0.2 . 1 . . . . . . . . 4999 1 342 . 1 1 35 35 VAL N N 15 119.3 0.2 . 1 . . . . . . . . 4999 1 343 . 1 1 36 36 TYR H H 1 8.09 0.02 . 1 . . . . . . . . 4999 1 344 . 1 1 36 36 TYR HA H 1 4.60 0.05 . 1 . . . . . . . . 4999 1 345 . 1 1 36 36 TYR HB2 H 1 3.07 0.05 . 2 . . . . . . . . 4999 1 346 . 1 1 36 36 TYR HB3 H 1 2.96 0.05 . 2 . . . . . . . . 4999 1 347 . 1 1 36 36 TYR C C 13 175.6 0.2 . 1 . . . . . . . . 4999 1 348 . 1 1 36 36 TYR CA C 13 57.9 0.2 . 1 . . . . . . . . 4999 1 349 . 1 1 36 36 TYR CB C 13 38.8 0.2 . 1 . . . . . . . . 4999 1 350 . 1 1 36 36 TYR N N 15 123.2 0.2 . 1 . . . . . . . . 4999 1 351 . 1 1 37 37 GLN H H 1 8.13 0.02 . 1 . . . . . . . . 4999 1 352 . 1 1 37 37 GLN HA H 1 4.31 0.05 . 1 . . . . . . . . 4999 1 353 . 1 1 37 37 GLN HB2 H 1 2.05 0.05 . 2 . . . . . . . . 4999 1 354 . 1 1 37 37 GLN HB3 H 1 1.94 0.05 . 2 . . . . . . . . 4999 1 355 . 1 1 37 37 GLN HG2 H 1 2.31 0.05 . 1 . . . . . . . . 4999 1 356 . 1 1 37 37 GLN HG3 H 1 2.31 0.05 . 1 . . . . . . . . 4999 1 357 . 1 1 37 37 GLN HE21 H 1 7.53 0.02 . 2 . . . . . . . . 4999 1 358 . 1 1 37 37 GLN HE22 H 1 6.85 0.02 . 2 . . . . . . . . 4999 1 359 . 1 1 37 37 GLN C C 13 175.4 0.2 . 1 . . . . . . . . 4999 1 360 . 1 1 37 37 GLN CA C 13 55.6 0.2 . 1 . . . . . . . . 4999 1 361 . 1 1 37 37 GLN CB C 13 29.9 0.2 . 1 . . . . . . . . 4999 1 362 . 1 1 37 37 GLN CG C 13 33.8 0.2 . 1 . . . . . . . . 4999 1 363 . 1 1 37 37 GLN N N 15 122.4 0.2 . 1 . . . . . . . . 4999 1 364 . 1 1 37 37 GLN NE2 N 15 112.5 0.2 . 1 . . . . . . . . 4999 1 365 . 1 1 38 38 GLU H H 1 8.38 0.02 . 1 . . . . . . . . 4999 1 366 . 1 1 38 38 GLU HA H 1 4.25 0.05 . 1 . . . . . . . . 4999 1 367 . 1 1 38 38 GLU HB2 H 1 2.07 0.05 . 2 . . . . . . . . 4999 1 368 . 1 1 38 38 GLU HB3 H 1 1.97 0.05 . 2 . . . . . . . . 4999 1 369 . 1 1 38 38 GLU HG2 H 1 2.31 0.05 . 1 . . . . . . . . 4999 1 370 . 1 1 38 38 GLU HG3 H 1 2.31 0.05 . 1 . . . . . . . . 4999 1 371 . 1 1 38 38 GLU C C 13 176.5 0.2 . 1 . . . . . . . . 4999 1 372 . 1 1 38 38 GLU CA C 13 56.8 0.2 . 1 . . . . . . . . 4999 1 373 . 1 1 38 38 GLU CB C 13 30.1 0.2 . 1 . . . . . . . . 4999 1 374 . 1 1 38 38 GLU CG C 13 36.3 0.2 . 1 . . . . . . . . 4999 1 375 . 1 1 38 38 GLU N N 15 122.5 0.2 . 1 . . . . . . . . 4999 1 376 . 1 1 39 39 ARG H H 1 8.34 0.02 . 1 . . . . . . . . 4999 1 377 . 1 1 39 39 ARG HA H 1 4.38 0.05 . 1 . . . . . . . . 4999 1 378 . 1 1 39 39 ARG HB2 H 1 1.89 0.05 . 2 . . . . . . . . 4999 1 379 . 1 1 39 39 ARG HB3 H 1 1.80 0.05 . 2 . . . . . . . . 4999 1 380 . 1 1 39 39 ARG HG2 H 1 1.66 0.05 . 1 . . . . . . . . 4999 1 381 . 1 1 39 39 ARG HG3 H 1 1.66 0.05 . 1 . . . . . . . . 4999 1 382 . 1 1 39 39 ARG HD2 H 1 3.21 0.05 . 1 . . . . . . . . 4999 1 383 . 1 1 39 39 ARG HD3 H 1 3.21 0.05 . 1 . . . . . . . . 4999 1 384 . 1 1 39 39 ARG C C 13 175.8 0.2 . 1 . . . . . . . . 4999 1 385 . 1 1 39 39 ARG CA C 13 56.4 0.2 . 1 . . . . . . . . 4999 1 386 . 1 1 39 39 ARG CB C 13 31.0 0.2 . 1 . . . . . . . . 4999 1 387 . 1 1 39 39 ARG CG C 13 27.2 0.2 . 1 . . . . . . . . 4999 1 388 . 1 1 39 39 ARG CD C 13 43.51 0.2 . 1 . . . . . . . . 4999 1 389 . 1 1 39 39 ARG N N 15 121.7 0.2 . 1 . . . . . . . . 4999 1 390 . 1 1 40 40 ASP H H 1 8.46 0.02 . 1 . . . . . . . . 4999 1 391 . 1 1 40 40 ASP HA H 1 4.68 0.05 . 1 . . . . . . . . 4999 1 392 . 1 1 40 40 ASP HB2 H 1 2.77 0.05 . 2 . . . . . . . . 4999 1 393 . 1 1 40 40 ASP HB3 H 1 2.68 0.05 . 2 . . . . . . . . 4999 1 394 . 1 1 40 40 ASP C C 13 176.4 0.2 . 1 . . . . . . . . 4999 1 395 . 1 1 40 40 ASP CA C 13 54.6 0.2 . 1 . . . . . . . . 4999 1 396 . 1 1 40 40 ASP CB C 13 41.1 0.2 . 1 . . . . . . . . 4999 1 397 . 1 1 40 40 ASP N N 15 121.3 0.2 . 1 . . . . . . . . 4999 1 398 . 1 1 41 41 THR H H 1 8.04 0.02 . 1 . . . . . . . . 4999 1 399 . 1 1 41 41 THR HA H 1 4.33 0.05 . 1 . . . . . . . . 4999 1 400 . 1 1 41 41 THR HB H 1 4.27 0.05 . 1 . . . . . . . . 4999 1 401 . 1 1 41 41 THR HG21 H 1 1.20 0.05 . 1 . . . . . . . . 4999 1 402 . 1 1 41 41 THR HG22 H 1 1.20 0.05 . 1 . . . . . . . . 4999 1 403 . 1 1 41 41 THR HG23 H 1 1.20 0.05 . 1 . . . . . . . . 4999 1 404 . 1 1 41 41 THR C C 13 174.5 0.2 . 1 . . . . . . . . 4999 1 405 . 1 1 41 41 THR CA C 13 61.7 0.2 . 1 . . . . . . . . 4999 1 406 . 1 1 41 41 THR CB C 13 69.9 0.2 . 1 . . . . . . . . 4999 1 407 . 1 1 41 41 THR CG2 C 13 21.8 0.2 . 1 . . . . . . . . 4999 1 408 . 1 1 41 41 THR N N 15 113.4 0.2 . 1 . . . . . . . . 4999 1 409 . 1 1 42 42 GLU H H 1 8.29 0.02 . 1 . . . . . . . . 4999 1 410 . 1 1 42 42 GLU HA H 1 4.62 0.05 . 1 . . . . . . . . 4999 1 411 . 1 1 42 42 GLU HB2 H 1 2.08 0.05 . 2 . . . . . . . . 4999 1 412 . 1 1 42 42 GLU HB3 H 1 1.97 0.05 . 2 . . . . . . . . 4999 1 413 . 1 1 42 42 GLU HG2 H 1 2.31 0.05 . 1 . . . . . . . . 4999 1 414 . 1 1 42 42 GLU HG3 H 1 2.31 0.05 . 1 . . . . . . . . 4999 1 415 . 1 1 42 42 GLU C C 13 177.1 0.2 . 1 . . . . . . . . 4999 1 416 . 1 1 42 42 GLU CA C 13 54.3 0.2 . 1 . . . . . . . . 4999 1 417 . 1 1 42 42 GLU CB C 13 29.7 0.2 . 1 . . . . . . . . 4999 1 418 . 1 1 42 42 GLU CG C 13 35.9 0.2 . 1 . . . . . . . . 4999 1 419 . 1 1 42 42 GLU N N 15 124.3 0.2 . 1 . . . . . . . . 4999 1 420 . 1 1 43 43 PRO HA H 1 4.44 0.05 . 1 . . . . . . . . 4999 1 421 . 1 1 43 43 PRO HB2 H 1 2.31 0.05 . 2 . . . . . . . . 4999 1 422 . 1 1 43 43 PRO HB3 H 1 1.93 0.05 . 2 . . . . . . . . 4999 1 423 . 1 1 43 43 PRO HG2 H 1 2.04 0.05 . 1 . . . . . . . . 4999 1 424 . 1 1 43 43 PRO HG3 H 1 2.04 0.05 . 1 . . . . . . . . 4999 1 425 . 1 1 43 43 PRO HD2 H 1 3.83 0.05 . 2 . . . . . . . . 4999 1 426 . 1 1 43 43 PRO HD3 H 1 3.72 0.05 . 2 . . . . . . . . 4999 1 427 . 1 1 43 43 PRO C C 13 177.0 0.2 . 1 . . . . . . . . 4999 1 428 . 1 1 43 43 PRO CA C 13 63.4 0.2 . 1 . . . . . . . . 4999 1 429 . 1 1 43 43 PRO CB C 13 32.0 0.2 . 1 . . . . . . . . 4999 1 430 . 1 1 43 43 PRO CG C 13 27.4 0.2 . 1 . . . . . . . . 4999 1 431 . 1 1 43 43 PRO CD C 13 50.8 0.2 . 1 . . . . . . . . 4999 1 432 . 1 1 44 44 ARG H H 1 8.44 0.02 . 1 . . . . . . . . 4999 1 433 . 1 1 44 44 ARG HA H 1 4.35 0.05 . 1 . . . . . . . . 4999 1 434 . 1 1 44 44 ARG HB2 H 1 1.89 0.05 . 2 . . . . . . . . 4999 1 435 . 1 1 44 44 ARG HB3 H 1 1.80 0.05 . 2 . . . . . . . . 4999 1 436 . 1 1 44 44 ARG HG2 H 1 1.69 0.05 . 1 . . . . . . . . 4999 1 437 . 1 1 44 44 ARG HG3 H 1 1.69 0.05 . 1 . . . . . . . . 4999 1 438 . 1 1 44 44 ARG HD2 H 1 3.23 0.05 . 1 . . . . . . . . 4999 1 439 . 1 1 44 44 ARG HD3 H 1 3.23 0.05 . 1 . . . . . . . . 4999 1 440 . 1 1 44 44 ARG C C 13 176.3 0.2 . 1 . . . . . . . . 4999 1 441 . 1 1 44 44 ARG CA C 13 56.1 0.2 . 1 . . . . . . . . 4999 1 442 . 1 1 44 44 ARG CB C 13 30.9 0.2 . 1 . . . . . . . . 4999 1 443 . 1 1 44 44 ARG CG C 13 27.3 0.2 . 1 . . . . . . . . 4999 1 444 . 1 1 44 44 ARG CD C 13 43.5 0.2 . 1 . . . . . . . . 4999 1 445 . 1 1 44 44 ARG N N 15 121.4 0.2 . 1 . . . . . . . . 4999 1 446 . 1 1 45 45 ALA H H 1 8.38 0.02 . 1 . . . . . . . . 4999 1 447 . 1 1 45 45 ALA HA H 1 4.36 0.05 . 1 . . . . . . . . 4999 1 448 . 1 1 45 45 ALA HB1 H 1 1.43 0.05 . 1 . . . . . . . . 4999 1 449 . 1 1 45 45 ALA HB2 H 1 1.43 0.05 . 1 . . . . . . . . 4999 1 450 . 1 1 45 45 ALA HB3 H 1 1.43 0.05 . 1 . . . . . . . . 4999 1 451 . 1 1 45 45 ALA C C 13 178.0 0.2 . 1 . . . . . . . . 4999 1 452 . 1 1 45 45 ALA CA C 13 52.7 0.2 . 1 . . . . . . . . 4999 1 453 . 1 1 45 45 ALA CB C 13 19.3 0.2 . 1 . . . . . . . . 4999 1 454 . 1 1 45 45 ALA N N 15 125.3 0.2 . 1 . . . . . . . . 4999 1 455 . 1 1 46 46 SER H H 1 8.34 0.02 . 1 . . . . . . . . 4999 1 456 . 1 1 46 46 SER HA H 1 4.45 0.05 . 1 . . . . . . . . 4999 1 457 . 1 1 46 46 SER HB2 H 1 3.95 0.05 . 2 . . . . . . . . 4999 1 458 . 1 1 46 46 SER HB3 H 1 3.89 0.05 . 2 . . . . . . . . 4999 1 459 . 1 1 46 46 SER C C 13 174.7 0.2 . 1 . . . . . . . . 4999 1 460 . 1 1 46 46 SER CA C 13 58.5 0.2 . 1 . . . . . . . . 4999 1 461 . 1 1 46 46 SER CB C 13 63.8 0.2 . 1 . . . . . . . . 4999 1 462 . 1 1 46 46 SER N N 15 115.1 0.2 . 1 . . . . . . . . 4999 1 463 . 1 1 47 47 ASN H H 1 8.45 0.02 . 1 . . . . . . . . 4999 1 464 . 1 1 47 47 ASN HA H 1 4.74 0.05 . 1 . . . . . . . . 4999 1 465 . 1 1 47 47 ASN HB2 H 1 2.86 0.05 . 1 . . . . . . . . 4999 1 466 . 1 1 47 47 ASN HB3 H 1 2.86 0.05 . 1 . . . . . . . . 4999 1 467 . 1 1 47 47 ASN HD21 H 1 7.64 0.02 . 2 . . . . . . . . 4999 1 468 . 1 1 47 47 ASN HD22 H 1 6.96 0.02 . 2 . . . . . . . . 4999 1 469 . 1 1 47 47 ASN C C 13 175.3 0.2 . 1 . . . . . . . . 4999 1 470 . 1 1 47 47 ASN CA C 13 53.5 0.2 . 1 . . . . . . . . 4999 1 471 . 1 1 47 47 ASN CB C 13 38.8 0.2 . 1 . . . . . . . . 4999 1 472 . 1 1 47 47 ASN N N 15 120.7 0.2 . 1 . . . . . . . . 4999 1 473 . 1 1 47 47 ASN ND2 N 15 113.1 0.2 . 1 . . . . . . . . 4999 1 474 . 1 1 48 48 ALA H H 1 8.22 0.02 . 1 . . . . . . . . 4999 1 475 . 1 1 48 48 ALA HA H 1 4.31 0.05 . 1 . . . . . . . . 4999 1 476 . 1 1 48 48 ALA HB1 H 1 1.43 0.05 . 1 . . . . . . . . 4999 1 477 . 1 1 48 48 ALA HB2 H 1 1.43 0.05 . 1 . . . . . . . . 4999 1 478 . 1 1 48 48 ALA HB3 H 1 1.43 0.05 . 1 . . . . . . . . 4999 1 479 . 1 1 48 48 ALA C C 13 178.0 0.2 . 1 . . . . . . . . 4999 1 480 . 1 1 48 48 ALA CA C 13 53.2 0.2 . 1 . . . . . . . . 4999 1 481 . 1 1 48 48 ALA CB C 13 19.2 0.2 . 1 . . . . . . . . 4999 1 482 . 1 1 48 48 ALA N N 15 123.9 0.2 . 1 . . . . . . . . 4999 1 483 . 1 1 49 49 SER H H 1 8.23 0.02 . 1 . . . . . . . . 4999 1 484 . 1 1 49 49 SER HA H 1 4.42 0.05 . 1 . . . . . . . . 4999 1 485 . 1 1 49 49 SER HB2 H 1 3.91 0.05 . 1 . . . . . . . . 4999 1 486 . 1 1 49 49 SER HB3 H 1 3.91 0.05 . 1 . . . . . . . . 4999 1 487 . 1 1 49 49 SER C C 13 174.8 0.2 . 1 . . . . . . . . 4999 1 488 . 1 1 49 49 SER CA C 13 58.8 0.2 . 1 . . . . . . . . 4999 1 489 . 1 1 49 49 SER CB C 13 63.7 0.2 . 1 . . . . . . . . 4999 1 490 . 1 1 49 49 SER N N 15 114.5 0.2 . 1 . . . . . . . . 4999 1 491 . 1 1 50 50 ARG H H 1 8.18 0.02 . 1 . . . . . . . . 4999 1 492 . 1 1 50 50 ARG HA H 1 4.36 0.05 . 1 . . . . . . . . 4999 1 493 . 1 1 50 50 ARG HB2 H 1 1.90 0.05 . 2 . . . . . . . . 4999 1 494 . 1 1 50 50 ARG HB3 H 1 1.80 0.05 . 2 . . . . . . . . 4999 1 495 . 1 1 50 50 ARG HG2 H 1 1.66 0.05 . 1 . . . . . . . . 4999 1 496 . 1 1 50 50 ARG HG3 H 1 1.66 0.05 . 1 . . . . . . . . 4999 1 497 . 1 1 50 50 ARG HD2 H 1 3.22 0.05 . 1 . . . . . . . . 4999 1 498 . 1 1 50 50 ARG HD3 H 1 3.22 0.05 . 1 . . . . . . . . 4999 1 499 . 1 1 50 50 ARG C C 13 176.0 0.2 . 1 . . . . . . . . 4999 1 500 . 1 1 50 50 ARG CA C 13 56.3 0.2 . 1 . . . . . . . . 4999 1 501 . 1 1 50 50 ARG CB C 13 30.7 0.2 . 1 . . . . . . . . 4999 1 502 . 1 1 50 50 ARG CG C 13 27.2 0.2 . 1 . . . . . . . . 4999 1 503 . 1 1 50 50 ARG CD C 13 43.5 0.2 . 1 . . . . . . . . 4999 1 504 . 1 1 50 50 ARG N N 15 122.5 0.2 . 1 . . . . . . . . 4999 1 505 . 1 1 51 51 LEU H H 1 8.13 0.02 . 1 . . . . . . . . 4999 1 506 . 1 1 51 51 LEU HA H 1 4.36 0.05 . 1 . . . . . . . . 4999 1 507 . 1 1 51 51 LEU HB2 H 1 1.63 0.05 . 2 . . . . . . . . 4999 1 508 . 1 1 51 51 LEU HB3 H 1 1.59 0.05 . 2 . . . . . . . . 4999 1 509 . 1 1 51 51 LEU HG H 1 1.63 0.05 . 1 . . . . . . . . 4999 1 510 . 1 1 51 51 LEU HD11 H 1 0.92 0.05 . 2 . . . . . . . . 4999 1 511 . 1 1 51 51 LEU HD12 H 1 0.92 0.05 . 2 . . . . . . . . 4999 1 512 . 1 1 51 51 LEU HD13 H 1 0.92 0.05 . 2 . . . . . . . . 4999 1 513 . 1 1 51 51 LEU HD21 H 1 0.86 0.05 . 2 . . . . . . . . 4999 1 514 . 1 1 51 51 LEU HD22 H 1 0.86 0.05 . 2 . . . . . . . . 4999 1 515 . 1 1 51 51 LEU HD23 H 1 0.86 0.05 . 2 . . . . . . . . 4999 1 516 . 1 1 51 51 LEU C C 13 176.8 0.2 . 1 . . . . . . . . 4999 1 517 . 1 1 51 51 LEU CA C 13 55.1 0.2 . 1 . . . . . . . . 4999 1 518 . 1 1 51 51 LEU CB C 13 42.4 0.2 . 1 . . . . . . . . 4999 1 519 . 1 1 51 51 LEU CG C 13 27.1 0.2 . 1 . . . . . . . . 4999 1 520 . 1 1 51 51 LEU CD1 C 13 25.0 0.2 . 2 . . . . . . . . 4999 1 521 . 1 1 51 51 LEU CD2 C 13 23.6 0.2 . 2 . . . . . . . . 4999 1 522 . 1 1 51 51 LEU N N 15 122.4 0.2 . 1 . . . . . . . . 4999 1 523 . 1 1 52 52 LEU H H 1 8.09 0.02 . 1 . . . . . . . . 4999 1 524 . 1 1 52 52 LEU HA H 1 4.66 0.05 . 1 . . . . . . . . 4999 1 525 . 1 1 52 52 LEU HB2 H 1 1.64 0.05 . 2 . . . . . . . . 4999 1 526 . 1 1 52 52 LEU HB3 H 1 1.58 0.05 . 2 . . . . . . . . 4999 1 527 . 1 1 52 52 LEU HG H 1 1.70 0.05 . 1 . . . . . . . . 4999 1 528 . 1 1 52 52 LEU HD11 H 1 0.96 0.05 . 2 . . . . . . . . 4999 1 529 . 1 1 52 52 LEU HD12 H 1 0.96 0.05 . 2 . . . . . . . . 4999 1 530 . 1 1 52 52 LEU HD13 H 1 0.96 0.05 . 2 . . . . . . . . 4999 1 531 . 1 1 52 52 LEU HD21 H 1 0.93 0.05 . 2 . . . . . . . . 4999 1 532 . 1 1 52 52 LEU HD22 H 1 0.93 0.05 . 2 . . . . . . . . 4999 1 533 . 1 1 52 52 LEU HD23 H 1 0.93 0.05 . 2 . . . . . . . . 4999 1 534 . 1 1 52 52 LEU C C 13 175.1 0.2 . 1 . . . . . . . . 4999 1 535 . 1 1 52 52 LEU CA C 13 52.7 0.2 . 1 . . . . . . . . 4999 1 536 . 1 1 52 52 LEU CB C 13 42.0 0.2 . 1 . . . . . . . . 4999 1 537 . 1 1 52 52 LEU CG C 13 27.4 0.2 . 1 . . . . . . . . 4999 1 538 . 1 1 52 52 LEU CD1 C 13 25.3 0.2 . 2 . . . . . . . . 4999 1 539 . 1 1 52 52 LEU CD2 C 13 23.5 0.2 . 2 . . . . . . . . 4999 1 540 . 1 1 52 52 LEU N N 15 123.8 0.2 . 1 . . . . . . . . 4999 1 541 . 1 1 53 53 PRO HA H 1 4.46 0.05 . 1 . . . . . . . . 4999 1 542 . 1 1 53 53 PRO HB2 H 1 2.33 0.05 . 2 . . . . . . . . 4999 1 543 . 1 1 53 53 PRO HB3 H 1 1.95 0.05 . 2 . . . . . . . . 4999 1 544 . 1 1 53 53 PRO HG2 H 1 2.05 0.05 . 1 . . . . . . . . 4999 1 545 . 1 1 53 53 PRO HG3 H 1 2.05 0.05 . 1 . . . . . . . . 4999 1 546 . 1 1 53 53 PRO HD2 H 1 3.85 0.05 . 2 . . . . . . . . 4999 1 547 . 1 1 53 53 PRO HD3 H 1 3.67 0.05 . 2 . . . . . . . . 4999 1 548 . 1 1 53 53 PRO C C 13 177.0 0.2 . 1 . . . . . . . . 4999 1 549 . 1 1 53 53 PRO CA C 13 63.3 0.2 . 1 . . . . . . . . 4999 1 550 . 1 1 53 53 PRO CB C 13 32.1 0.2 . 1 . . . . . . . . 4999 1 551 . 1 1 53 53 PRO CG C 13 27.5 0.2 . 1 . . . . . . . . 4999 1 552 . 1 1 53 53 PRO CD C 13 50.6 0.2 . 1 . . . . . . . . 4999 1 553 . 1 1 54 54 SER H H 1 8.33 0.02 . 1 . . . . . . . . 4999 1 554 . 1 1 54 54 SER HA H 1 4.45 0.05 . 1 . . . . . . . . 4999 1 555 . 1 1 54 54 SER HB2 H 1 3.94 0.05 . 2 . . . . . . . . 4999 1 556 . 1 1 54 54 SER HB3 H 1 3.87 0.05 . 2 . . . . . . . . 4999 1 557 . 1 1 54 54 SER C C 13 174.8 0.2 . 1 . . . . . . . . 4999 1 558 . 1 1 54 54 SER CA C 13 58.1 0.2 . 1 . . . . . . . . 4999 1 559 . 1 1 54 54 SER CB C 13 63.9 0.2 . 1 . . . . . . . . 4999 1 560 . 1 1 54 54 SER N N 15 115.9 0.2 . 1 . . . . . . . . 4999 1 561 . 1 1 55 55 LYS H H 1 8.37 0.02 . 1 . . . . . . . . 4999 1 562 . 1 1 55 55 LYS HA H 1 4.35 0.05 . 1 . . . . . . . . 4999 1 563 . 1 1 55 55 LYS HB2 H 1 1.90 0.05 . 2 . . . . . . . . 4999 1 564 . 1 1 55 55 LYS HB3 H 1 1.80 0.05 . 2 . . . . . . . . 4999 1 565 . 1 1 55 55 LYS HG2 H 1 1.46 0.05 . 1 . . . . . . . . 4999 1 566 . 1 1 55 55 LYS HG3 H 1 1.46 0.05 . 1 . . . . . . . . 4999 1 567 . 1 1 55 55 LYS HD2 H 1 1.72 0.05 . 1 . . . . . . . . 4999 1 568 . 1 1 55 55 LYS HD3 H 1 1.72 0.05 . 1 . . . . . . . . 4999 1 569 . 1 1 55 55 LYS HE2 H 1 3.03 0.05 . 1 . . . . . . . . 4999 1 570 . 1 1 55 55 LYS HE3 H 1 3.03 0.05 . 1 . . . . . . . . 4999 1 571 . 1 1 55 55 LYS C C 13 176.5 0.2 . 1 . . . . . . . . 4999 1 572 . 1 1 55 55 LYS CA C 13 56.5 0.2 . 1 . . . . . . . . 4999 1 573 . 1 1 55 55 LYS CB C 13 32.9 0.2 . 1 . . . . . . . . 4999 1 574 . 1 1 55 55 LYS CG C 13 24.9 0.2 . 1 . . . . . . . . 4999 1 575 . 1 1 55 55 LYS CD C 13 29.1 0.2 . 1 . . . . . . . . 4999 1 576 . 1 1 55 55 LYS CE C 13 42.2 0.2 . 1 . . . . . . . . 4999 1 577 . 1 1 55 55 LYS N N 15 122.7 0.2 . 1 . . . . . . . . 4999 1 578 . 1 1 56 56 GLU H H 1 8.24 0.02 . 1 . . . . . . . . 4999 1 579 . 1 1 56 56 GLU HA H 1 4.32 0.05 . 1 . . . . . . . . 4999 1 580 . 1 1 56 56 GLU HB2 H 1 2.05 0.05 . 2 . . . . . . . . 4999 1 581 . 1 1 56 56 GLU HB3 H 1 1.93 0.05 . 2 . . . . . . . . 4999 1 582 . 1 1 56 56 GLU HG2 H 1 2.28 0.05 . 1 . . . . . . . . 4999 1 583 . 1 1 56 56 GLU HG3 H 1 2.28 0.05 . 1 . . . . . . . . 4999 1 584 . 1 1 56 56 GLU C C 13 176.1 0.2 . 1 . . . . . . . . 4999 1 585 . 1 1 56 56 GLU CA C 13 56.3 0.2 . 1 . . . . . . . . 4999 1 586 . 1 1 56 56 GLU CB C 13 30.6 0.2 . 1 . . . . . . . . 4999 1 587 . 1 1 56 56 GLU CG C 13 36.3 0.2 . 1 . . . . . . . . 4999 1 588 . 1 1 56 56 GLU N N 15 121.2 0.2 . 1 . . . . . . . . 4999 1 589 . 1 1 57 57 LYS H H 1 8.40 0.02 . 1 . . . . . . . . 4999 1 590 . 1 1 57 57 LYS HA H 1 4.57 0.05 . 1 . . . . . . . . 4999 1 591 . 1 1 57 57 LYS HB2 H 1 1.81 0.05 . 2 . . . . . . . . 4999 1 592 . 1 1 57 57 LYS HB3 H 1 1.70 0.05 . 2 . . . . . . . . 4999 1 593 . 1 1 57 57 LYS HG2 H 1 1.40 0.05 . 1 . . . . . . . . 4999 1 594 . 1 1 57 57 LYS HG3 H 1 1.40 0.05 . 1 . . . . . . . . 4999 1 595 . 1 1 57 57 LYS HD2 H 1 1.70 0.05 . 1 . . . . . . . . 4999 1 596 . 1 1 57 57 LYS HD3 H 1 1.70 0.05 . 1 . . . . . . . . 4999 1 597 . 1 1 57 57 LYS HE2 H 1 3.01 0.05 . 1 . . . . . . . . 4999 1 598 . 1 1 57 57 LYS HE3 H 1 3.01 0.05 . 1 . . . . . . . . 4999 1 599 . 1 1 57 57 LYS C C 13 174.7 0.2 . 1 . . . . . . . . 4999 1 600 . 1 1 57 57 LYS CA C 13 54.4 0.2 . 1 . . . . . . . . 4999 1 601 . 1 1 57 57 LYS CB C 13 32.3 0.2 . 1 . . . . . . . . 4999 1 602 . 1 1 57 57 LYS CG C 13 24.7 0.2 . 1 . . . . . . . . 4999 1 603 . 1 1 57 57 LYS CD C 13 29.4 0.2 . 1 . . . . . . . . 4999 1 604 . 1 1 57 57 LYS CE C 13 42.1 0.2 . 1 . . . . . . . . 4999 1 605 . 1 1 57 57 LYS N N 15 123.9 0.2 . 1 . . . . . . . . 4999 1 606 . 1 1 58 58 PRO HA H 1 4.54 0.05 . 1 . . . . . . . . 4999 1 607 . 1 1 58 58 PRO HB2 H 1 2.32 0.05 . 2 . . . . . . . . 4999 1 608 . 1 1 58 58 PRO HB3 H 1 1.89 0.05 . 2 . . . . . . . . 4999 1 609 . 1 1 58 58 PRO HG2 H 1 2.06 0.05 . 1 . . . . . . . . 4999 1 610 . 1 1 58 58 PRO HG3 H 1 2.06 0.05 . 1 . . . . . . . . 4999 1 611 . 1 1 58 58 PRO HD2 H 1 3.86 0.05 . 2 . . . . . . . . 4999 1 612 . 1 1 58 58 PRO HD3 H 1 3.73 0.05 . 2 . . . . . . . . 4999 1 613 . 1 1 58 58 PRO C C 13 177.2 0.2 . 1 . . . . . . . . 4999 1 614 . 1 1 58 58 PRO CA C 13 63.5 0.2 . 1 . . . . . . . . 4999 1 615 . 1 1 58 58 PRO CB C 13 32.1 0.2 . 1 . . . . . . . . 4999 1 616 . 1 1 58 58 PRO CG C 13 27.6 0.2 . 1 . . . . . . . . 4999 1 617 . 1 1 58 58 PRO CD C 13 50.7 0.2 . 1 . . . . . . . . 4999 1 618 . 1 1 59 59 THR H H 1 8.24 0.02 . 1 . . . . . . . . 4999 1 619 . 1 1 59 59 THR HA H 1 4.45 0.05 . 1 . . . . . . . . 4999 1 620 . 1 1 59 59 THR HB H 1 4.57 0.05 . 1 . . . . . . . . 4999 1 621 . 1 1 59 59 THR HG21 H 1 1.37 0.05 . 1 . . . . . . . . 4999 1 622 . 1 1 59 59 THR HG22 H 1 1.37 0.05 . 1 . . . . . . . . 4999 1 623 . 1 1 59 59 THR HG23 H 1 1.37 0.05 . 1 . . . . . . . . 4999 1 624 . 1 1 59 59 THR C C 13 175.7 0.2 . 1 . . . . . . . . 4999 1 625 . 1 1 59 59 THR CA C 13 61.4 0.2 . 1 . . . . . . . . 4999 1 626 . 1 1 59 59 THR CB C 13 70.9 0.2 . 1 . . . . . . . . 4999 1 627 . 1 1 59 59 THR CG2 C 13 22.1 0.2 . 1 . . . . . . . . 4999 1 628 . 1 1 59 59 THR N N 15 112.2 0.2 . 1 . . . . . . . . 4999 1 629 . 1 1 60 60 MET H H 1 8.70 0.02 . 1 . . . . . . . . 4999 1 630 . 1 1 60 60 MET HA H 1 4.33 0.05 . 1 . . . . . . . . 4999 1 631 . 1 1 60 60 MET HB2 H 1 2.22 0.05 . 2 . . . . . . . . 4999 1 632 . 1 1 60 60 MET HB3 H 1 2.11 0.05 . 2 . . . . . . . . 4999 1 633 . 1 1 60 60 MET HG2 H 1 2.67 0.05 . 1 . . . . . . . . 4999 1 634 . 1 1 60 60 MET HG3 H 1 2.67 0.05 . 1 . . . . . . . . 4999 1 635 . 1 1 60 60 MET C C 13 178.2 0.2 . 1 . . . . . . . . 4999 1 636 . 1 1 60 60 MET CA C 13 58.1 0.2 . 1 . . . . . . . . 4999 1 637 . 1 1 60 60 MET CB C 13 31.6 0.2 . 1 . . . . . . . . 4999 1 638 . 1 1 60 60 MET CG C 13 32.8 0.2 . 1 . . . . . . . . 4999 1 639 . 1 1 60 60 MET N N 15 121.0 0.2 . 1 . . . . . . . . 4999 1 640 . 1 1 61 61 HIS H H 1 8.46 0.02 . 1 . . . . . . . . 4999 1 641 . 1 1 61 61 HIS HA H 1 4.33 0.05 . 1 . . . . . . . . 4999 1 642 . 1 1 61 61 HIS HB2 H 1 3.31 0.05 . 2 . . . . . . . . 4999 1 643 . 1 1 61 61 HIS HB3 H 1 3.22 0.05 . 2 . . . . . . . . 4999 1 644 . 1 1 61 61 HIS C C 13 176.8 0.05 . 1 . . . . . . . . 4999 1 645 . 1 1 61 61 HIS CA C 13 59.4 0.05 . 1 . . . . . . . . 4999 1 646 . 1 1 61 61 HIS CB C 13 29.2 0.05 . 1 . . . . . . . . 4999 1 647 . 1 1 61 61 HIS N N 15 117.6 0.05 . 1 . . . . . . . . 4999 1 648 . 1 1 62 62 SER H H 1 8.16 0.02 . 1 . . . . . . . . 4999 1 649 . 1 1 62 62 SER HA H 1 4.10 0.05 . 1 . . . . . . . . 4999 1 650 . 1 1 62 62 SER HB2 H 1 4.03 0.05 . 2 . . . . . . . . 4999 1 651 . 1 1 62 62 SER HB3 H 1 3.98 0.05 . 2 . . . . . . . . 4999 1 652 . 1 1 62 62 SER C C 13 177.0 0.2 . 1 . . . . . . . . 4999 1 653 . 1 1 62 62 SER CA C 13 61.7 0.2 . 1 . . . . . . . . 4999 1 654 . 1 1 62 62 SER CB C 13 62.6 0.2 . 1 . . . . . . . . 4999 1 655 . 1 1 62 62 SER N N 15 115.5 0.2 . 1 . . . . . . . . 4999 1 656 . 1 1 63 63 LEU H H 1 8.03 0.02 . 1 . . . . . . . . 4999 1 657 . 1 1 63 63 LEU HA H 1 4.13 0.05 . 1 . . . . . . . . 4999 1 658 . 1 1 63 63 LEU HB2 H 1 1.87 0.05 . 2 . . . . . . . . 4999 1 659 . 1 1 63 63 LEU HB3 H 1 1.75 0.05 . 2 . . . . . . . . 4999 1 660 . 1 1 63 63 LEU HD11 H 1 0.88 0.05 . 1 . . . . . . . . 4999 1 661 . 1 1 63 63 LEU HD12 H 1 0.88 0.05 . 1 . . . . . . . . 4999 1 662 . 1 1 63 63 LEU HD13 H 1 0.88 0.05 . 1 . . . . . . . . 4999 1 663 . 1 1 63 63 LEU HD21 H 1 0.88 0.05 . 1 . . . . . . . . 4999 1 664 . 1 1 63 63 LEU HD22 H 1 0.88 0.05 . 1 . . . . . . . . 4999 1 665 . 1 1 63 63 LEU HD23 H 1 0.88 0.05 . 1 . . . . . . . . 4999 1 666 . 1 1 63 63 LEU C C 13 178.9 0.2 . 1 . . . . . . . . 4999 1 667 . 1 1 63 63 LEU CA C 13 57.7 0.2 . 1 . . . . . . . . 4999 1 668 . 1 1 63 63 LEU CB C 13 41.0 0.2 . 1 . . . . . . . . 4999 1 669 . 1 1 63 63 LEU CD1 C 13 25.8 0.2 . 2 . . . . . . . . 4999 1 670 . 1 1 63 63 LEU CD2 C 13 22.9 0.2 . 2 . . . . . . . . 4999 1 671 . 1 1 63 63 LEU N N 15 123.5 0.2 . 1 . . . . . . . . 4999 1 672 . 1 1 64 64 ARG H H 1 8.28 0.02 . 1 . . . . . . . . 4999 1 673 . 1 1 64 64 ARG HA H 1 3.79 0.05 . 1 . . . . . . . . 4999 1 674 . 1 1 64 64 ARG HB2 H 1 1.99 0.05 . 2 . . . . . . . . 4999 1 675 . 1 1 64 64 ARG HB3 H 1 1.93 0.05 . 2 . . . . . . . . 4999 1 676 . 1 1 64 64 ARG HG2 H 1 1.73 0.05 . 2 . . . . . . . . 4999 1 677 . 1 1 64 64 ARG HG3 H 1 1.55 0.05 . 2 . . . . . . . . 4999 1 678 . 1 1 64 64 ARG HD2 H 1 3.23 0.05 . 1 . . . . . . . . 4999 1 679 . 1 1 64 64 ARG HD3 H 1 3.23 0.05 . 1 . . . . . . . . 4999 1 680 . 1 1 64 64 ARG C C 13 178.4 0.2 . 1 . . . . . . . . 4999 1 681 . 1 1 64 64 ARG CA C 13 60.4 0.2 . 1 . . . . . . . . 4999 1 682 . 1 1 64 64 ARG CB C 13 29.5 0.2 . 1 . . . . . . . . 4999 1 683 . 1 1 64 64 ARG CG C 13 28.5 0.2 . 1 . . . . . . . . 4999 1 684 . 1 1 64 64 ARG CD C 13 43.6 0.2 . 1 . . . . . . . . 4999 1 685 . 1 1 64 64 ARG N N 15 119.4 0.2 . 1 . . . . . . . . 4999 1 686 . 1 1 65 65 LEU H H 1 7.59 0.02 . 1 . . . . . . . . 4999 1 687 . 1 1 65 65 LEU HA H 1 4.07 0.05 . 1 . . . . . . . . 4999 1 688 . 1 1 65 65 LEU HB2 H 1 1.78 0.05 . 2 . . . . . . . . 4999 1 689 . 1 1 65 65 LEU HB3 H 1 1.58 0.05 . 2 . . . . . . . . 4999 1 690 . 1 1 65 65 LEU HG H 1 1.58 0.05 . 1 . . . . . . . . 4999 1 691 . 1 1 65 65 LEU HD11 H 1 0.82 0.05 . 1 . . . . . . . . 4999 1 692 . 1 1 65 65 LEU HD12 H 1 0.82 0.05 . 1 . . . . . . . . 4999 1 693 . 1 1 65 65 LEU HD13 H 1 0.82 0.05 . 1 . . . . . . . . 4999 1 694 . 1 1 65 65 LEU HD21 H 1 0.82 0.05 . 1 . . . . . . . . 4999 1 695 . 1 1 65 65 LEU HD22 H 1 0.82 0.05 . 1 . . . . . . . . 4999 1 696 . 1 1 65 65 LEU HD23 H 1 0.82 0.05 . 1 . . . . . . . . 4999 1 697 . 1 1 65 65 LEU C C 13 180.3 0.2 . 1 . . . . . . . . 4999 1 698 . 1 1 65 65 LEU CA C 13 58.0 0.2 . 1 . . . . . . . . 4999 1 699 . 1 1 65 65 LEU CB C 13 41.3 0.2 . 1 . . . . . . . . 4999 1 700 . 1 1 65 65 LEU CG C 13 27.1 0.2 . 1 . . . . . . . . 4999 1 701 . 1 1 65 65 LEU CD1 C 13 24.7 0.2 . 2 . . . . . . . . 4999 1 702 . 1 1 65 65 LEU CD2 C 13 23.3 0.2 . 2 . . . . . . . . 4999 1 703 . 1 1 65 65 LEU N N 15 118.4 0.2 . 1 . . . . . . . . 4999 1 704 . 1 1 66 66 VAL H H 1 7.67 0.02 . 1 . . . . . . . . 4999 1 705 . 1 1 66 66 VAL HA H 1 3.59 0.05 . 1 . . . . . . . . 4999 1 706 . 1 1 66 66 VAL HB H 1 2.37 0.05 . 1 . . . . . . . . 4999 1 707 . 1 1 66 66 VAL HG11 H 1 1.09 0.05 . 2 . . . . . . . . 4999 1 708 . 1 1 66 66 VAL HG12 H 1 1.09 0.05 . 2 . . . . . . . . 4999 1 709 . 1 1 66 66 VAL HG13 H 1 1.09 0.05 . 2 . . . . . . . . 4999 1 710 . 1 1 66 66 VAL HG21 H 1 0.81 0.05 . 2 . . . . . . . . 4999 1 711 . 1 1 66 66 VAL HG22 H 1 0.81 0.05 . 2 . . . . . . . . 4999 1 712 . 1 1 66 66 VAL HG23 H 1 0.81 0.05 . 2 . . . . . . . . 4999 1 713 . 1 1 66 66 VAL C C 13 178.8 0.2 . 1 . . . . . . . . 4999 1 714 . 1 1 66 66 VAL CA C 13 66.5 0.2 . 1 . . . . . . . . 4999 1 715 . 1 1 66 66 VAL CB C 13 31.5 0.2 . 1 . . . . . . . . 4999 1 716 . 1 1 66 66 VAL CG1 C 13 22.5 0.2 . 2 . . . . . . . . 4999 1 717 . 1 1 66 66 VAL CG2 C 13 20.7 0.2 . 2 . . . . . . . . 4999 1 718 . 1 1 66 66 VAL N N 15 121.8 0.2 . 1 . . . . . . . . 4999 1 719 . 1 1 67 67 ILE H H 1 7.74 0.02 . 1 . . . . . . . . 4999 1 720 . 1 1 67 67 ILE HA H 1 3.36 0.05 . 1 . . . . . . . . 4999 1 721 . 1 1 67 67 ILE HB H 1 1.99 0.05 . 1 . . . . . . . . 4999 1 722 . 1 1 67 67 ILE HG12 H 1 1.80 0.05 . 2 . . . . . . . . 4999 1 723 . 1 1 67 67 ILE HG13 H 1 0.85 0.05 . 2 . . . . . . . . 4999 1 724 . 1 1 67 67 ILE HG21 H 1 1.00 0.05 . 1 . . . . . . . . 4999 1 725 . 1 1 67 67 ILE HG22 H 1 1.00 0.05 . 1 . . . . . . . . 4999 1 726 . 1 1 67 67 ILE HG23 H 1 1.00 0.05 . 1 . . . . . . . . 4999 1 727 . 1 1 67 67 ILE HD11 H 1 0.79 0.05 . 1 . . . . . . . . 4999 1 728 . 1 1 67 67 ILE HD12 H 1 0.79 0.05 . 1 . . . . . . . . 4999 1 729 . 1 1 67 67 ILE HD13 H 1 0.79 0.05 . 1 . . . . . . . . 4999 1 730 . 1 1 67 67 ILE C C 13 180.0 0.2 . 1 . . . . . . . . 4999 1 731 . 1 1 67 67 ILE CA C 13 66.1 0.2 . 1 . . . . . . . . 4999 1 732 . 1 1 67 67 ILE CB C 13 38.6 0.2 . 1 . . . . . . . . 4999 1 733 . 1 1 67 67 ILE CG1 C 13 29.8 0.2 . 1 . . . . . . . . 4999 1 734 . 1 1 67 67 ILE CG2 C 13 19.0 0.2 . 1 . . . . . . . . 4999 1 735 . 1 1 67 67 ILE CD1 C 13 14.4 0.2 . 1 . . . . . . . . 4999 1 736 . 1 1 67 67 ILE N N 15 118.5 0.2 . 1 . . . . . . . . 4999 1 737 . 1 1 68 68 GLU H H 1 8.93 0.02 . 1 . . . . . . . . 4999 1 738 . 1 1 68 68 GLU HA H 1 4.01 0.05 . 1 . . . . . . . . 4999 1 739 . 1 1 68 68 GLU HB2 H 1 2.13 0.05 . 1 . . . . . . . . 4999 1 740 . 1 1 68 68 GLU HB3 H 1 2.13 0.05 . 1 . . . . . . . . 4999 1 741 . 1 1 68 68 GLU HG2 H 1 2.46 0.05 . 2 . . . . . . . . 4999 1 742 . 1 1 68 68 GLU HG3 H 1 2.29 0.05 . 2 . . . . . . . . 4999 1 743 . 1 1 68 68 GLU C C 13 177.8 0.2 . 1 . . . . . . . . 4999 1 744 . 1 1 68 68 GLU CA C 13 59.8 0.2 . 1 . . . . . . . . 4999 1 745 . 1 1 68 68 GLU CB C 13 29.6 0.2 . 1 . . . . . . . . 4999 1 746 . 1 1 68 68 GLU CG C 13 36.7 0.2 . 1 . . . . . . . . 4999 1 747 . 1 1 68 68 GLU N N 15 119.5 0.2 . 1 . . . . . . . . 4999 1 748 . 1 1 69 69 SER H H 1 7.94 0.02 . 1 . . . . . . . . 4999 1 749 . 1 1 69 69 SER HA H 1 4.60 0.05 . 1 . . . . . . . . 4999 1 750 . 1 1 69 69 SER HB2 H 1 4.04 0.05 . 1 . . . . . . . . 4999 1 751 . 1 1 69 69 SER HB3 H 1 4.04 0.05 . 1 . . . . . . . . 4999 1 752 . 1 1 69 69 SER C C 13 174.0 0.2 . 1 . . . . . . . . 4999 1 753 . 1 1 69 69 SER CA C 13 58.8 0.2 . 1 . . . . . . . . 4999 1 754 . 1 1 69 69 SER CB C 13 63.9 0.2 . 1 . . . . . . . . 4999 1 755 . 1 1 69 69 SER N N 15 112.4 0.2 . 1 . . . . . . . . 4999 1 756 . 1 1 70 70 SER H H 1 7.40 0.2 . 1 . . . . . . . . 4999 1 757 . 1 1 70 70 SER C C 13 172.6 0.2 . 1 . . . . . . . . 4999 1 758 . 1 1 70 70 SER CB C 13 63.6 0.2 . 1 . . . . . . . . 4999 1 759 . 1 1 70 70 SER N N 15 119.3 0.2 . 1 . . . . . . . . 4999 1 760 . 1 1 71 71 PRO HA H 1 4.89 0.05 . 1 . . . . . . . . 4999 1 761 . 1 1 71 71 PRO HB2 H 1 2.28 0.05 . 2 . . . . . . . . 4999 1 762 . 1 1 71 71 PRO HB3 H 1 2.19 0.05 . 2 . . . . . . . . 4999 1 763 . 1 1 71 71 PRO HG2 H 1 2.11 0.05 . 2 . . . . . . . . 4999 1 764 . 1 1 71 71 PRO HG3 H 1 1.81 0.05 . 2 . . . . . . . . 4999 1 765 . 1 1 71 71 PRO HD2 H 1 3.95 0.05 . 2 . . . . . . . . 4999 1 766 . 1 1 71 71 PRO HD3 H 1 3.48 0.05 . 2 . . . . . . . . 4999 1 767 . 1 1 71 71 PRO C C 13 176.3 0.2 . 1 . . . . . . . . 4999 1 768 . 1 1 71 71 PRO CA C 13 62.8 0.2 . 1 . . . . . . . . 4999 1 769 . 1 1 71 71 PRO CB C 13 30.5 0.2 . 1 . . . . . . . . 4999 1 770 . 1 1 71 71 PRO CG C 13 27.6 0.2 . 1 . . . . . . . . 4999 1 771 . 1 1 71 71 PRO CD C 13 50.5 0.2 . 1 . . . . . . . . 4999 1 772 . 1 1 72 72 LEU H H 1 6.91 0.02 . 1 . . . . . . . . 4999 1 773 . 1 1 72 72 LEU HA H 1 4.24 0.05 . 1 . . . . . . . . 4999 1 774 . 1 1 72 72 LEU HB2 H 1 1.75 0.05 . 2 . . . . . . . . 4999 1 775 . 1 1 72 72 LEU HB3 H 1 1.62 0.05 . 2 . . . . . . . . 4999 1 776 . 1 1 72 72 LEU HG H 1 1.72 0.05 . 1 . . . . . . . . 4999 1 777 . 1 1 72 72 LEU HD11 H 1 1.02 0.05 . 2 . . . . . . . . 4999 1 778 . 1 1 72 72 LEU HD12 H 1 1.02 0.05 . 2 . . . . . . . . 4999 1 779 . 1 1 72 72 LEU HD13 H 1 1.02 0.05 . 2 . . . . . . . . 4999 1 780 . 1 1 72 72 LEU HD21 H 1 0.95 0.05 . 2 . . . . . . . . 4999 1 781 . 1 1 72 72 LEU HD22 H 1 0.95 0.05 . 2 . . . . . . . . 4999 1 782 . 1 1 72 72 LEU HD23 H 1 0.95 0.05 . 2 . . . . . . . . 4999 1 783 . 1 1 72 72 LEU C C 13 175.7 0.2 . 1 . . . . . . . . 4999 1 784 . 1 1 72 72 LEU CA C 13 55.1 0.2 . 1 . . . . . . . . 4999 1 785 . 1 1 72 72 LEU CB C 13 42.9 0.2 . 1 . . . . . . . . 4999 1 786 . 1 1 72 72 LEU CD1 C 13 25.9 0.2 . 2 . . . . . . . . 4999 1 787 . 1 1 72 72 LEU CD2 C 13 22.5 0.2 . 2 . . . . . . . . 4999 1 788 . 1 1 72 72 LEU N N 15 117.9 0.2 . 1 . . . . . . . . 4999 1 789 . 1 1 73 73 SER H H 1 8.67 0.02 . 1 . . . . . . . . 4999 1 790 . 1 1 73 73 SER HA H 1 4.51 0.05 . 1 . . . . . . . . 4999 1 791 . 1 1 73 73 SER HB2 H 1 4.42 0.05 . 2 . . . . . . . . 4999 1 792 . 1 1 73 73 SER HB3 H 1 4.13 0.05 . 2 . . . . . . . . 4999 1 793 . 1 1 73 73 SER C C 13 174.9 0.2 . 1 . . . . . . . . 4999 1 794 . 1 1 73 73 SER CA C 13 58.2 0.2 . 1 . . . . . . . . 4999 1 795 . 1 1 73 73 SER CB C 13 65.1 0.2 . 1 . . . . . . . . 4999 1 796 . 1 1 73 73 SER N N 15 115.9 0.2 . 1 . . . . . . . . 4999 1 797 . 1 1 74 74 ARG H H 1 8.96 0.02 . 1 . . . . . . . . 4999 1 798 . 1 1 74 74 ARG HA H 1 3.95 0.05 . 1 . . . . . . . . 4999 1 799 . 1 1 74 74 ARG HB2 H 1 2.05 0.05 . 2 . . . . . . . . 4999 1 800 . 1 1 74 74 ARG HB3 H 1 1.93 0.05 . 2 . . . . . . . . 4999 1 801 . 1 1 74 74 ARG HG2 H 1 1.87 0.05 . 2 . . . . . . . . 4999 1 802 . 1 1 74 74 ARG HG3 H 1 1.75 0.05 . 2 . . . . . . . . 4999 1 803 . 1 1 74 74 ARG HD2 H 1 3.31 0.05 . 1 . . . . . . . . 4999 1 804 . 1 1 74 74 ARG HD3 H 1 3.31 0.05 . 1 . . . . . . . . 4999 1 805 . 1 1 74 74 ARG C C 13 179.1 0.2 . 1 . . . . . . . . 4999 1 806 . 1 1 74 74 ARG CA C 13 60.4 0.2 . 1 . . . . . . . . 4999 1 807 . 1 1 74 74 ARG CB C 13 29.7 0.2 . 1 . . . . . . . . 4999 1 808 . 1 1 74 74 ARG CG C 13 27.2 0.2 . 1 . . . . . . . . 4999 1 809 . 1 1 74 74 ARG CD C 13 43.4 0.2 . 1 . . . . . . . . 4999 1 810 . 1 1 74 74 ARG N N 15 121.9 0.2 . 1 . . . . . . . . 4999 1 811 . 1 1 75 75 ALA H H 1 8.63 0.02 . 1 . . . . . . . . 4999 1 812 . 1 1 75 75 ALA HA H 1 4.17 0.05 . 1 . . . . . . . . 4999 1 813 . 1 1 75 75 ALA HB1 H 1 1.45 0.05 . 1 . . . . . . . . 4999 1 814 . 1 1 75 75 ALA HB2 H 1 1.45 0.05 . 1 . . . . . . . . 4999 1 815 . 1 1 75 75 ALA HB3 H 1 1.45 0.05 . 1 . . . . . . . . 4999 1 816 . 1 1 75 75 ALA C C 13 181.2 0.2 . 1 . . . . . . . . 4999 1 817 . 1 1 75 75 ALA CA C 13 55.1 0.2 . 1 . . . . . . . . 4999 1 818 . 1 1 75 75 ALA CB C 13 18.5 0.2 . 1 . . . . . . . . 4999 1 819 . 1 1 75 75 ALA N N 15 120.9 0.2 . 1 . . . . . . . . 4999 1 820 . 1 1 76 76 GLU H H 1 7.73 0.02 . 1 . . . . . . . . 4999 1 821 . 1 1 76 76 GLU HA H 1 3.99 0.05 . 1 . . . . . . . . 4999 1 822 . 1 1 76 76 GLU HB2 H 1 2.03 0.05 . 1 . . . . . . . . 4999 1 823 . 1 1 76 76 GLU HB3 H 1 2.03 0.05 . 1 . . . . . . . . 4999 1 824 . 1 1 76 76 GLU HG2 H 1 2.31 0.05 . 1 . . . . . . . . 4999 1 825 . 1 1 76 76 GLU HG3 H 1 2.31 0.05 . 1 . . . . . . . . 4999 1 826 . 1 1 76 76 GLU C C 13 179.1 0.2 . 1 . . . . . . . . 4999 1 827 . 1 1 76 76 GLU CA C 13 59.0 0.2 . 1 . . . . . . . . 4999 1 828 . 1 1 76 76 GLU CB C 13 30.9 0.2 . 1 . . . . . . . . 4999 1 829 . 1 1 76 76 GLU CG C 13 37.4 0.2 . 1 . . . . . . . . 4999 1 830 . 1 1 76 76 GLU N N 15 119.8 0.2 . 1 . . . . . . . . 4999 1 831 . 1 1 77 77 LYS H H 1 8.69 0.02 . 1 . . . . . . . . 4999 1 832 . 1 1 77 77 LYS HA H 1 3.77 0.05 . 1 . . . . . . . . 4999 1 833 . 1 1 77 77 LYS HB2 H 1 1.98 0.05 . 2 . . . . . . . . 4999 1 834 . 1 1 77 77 LYS HB3 H 1 1.76 0.05 . 2 . . . . . . . . 4999 1 835 . 1 1 77 77 LYS HE2 H 1 3.13 0.05 . 1 . . . . . . . . 4999 1 836 . 1 1 77 77 LYS HE3 H 1 3.13 0.05 . 1 . . . . . . . . 4999 1 837 . 1 1 77 77 LYS C C 13 178.0 0.2 . 1 . . . . . . . . 4999 1 838 . 1 1 77 77 LYS CA C 13 60.8 0.2 . 1 . . . . . . . . 4999 1 839 . 1 1 77 77 LYS CB C 13 33.3 0.2 . 1 . . . . . . . . 4999 1 840 . 1 1 77 77 LYS CG C 13 26.8 0.2 . 1 . . . . . . . . 4999 1 841 . 1 1 77 77 LYS CD C 13 30.8 0.2 . 1 . . . . . . . . 4999 1 842 . 1 1 77 77 LYS CE C 13 42.6 0.2 . 1 . . . . . . . . 4999 1 843 . 1 1 77 77 LYS N N 15 119.1 0.2 . 1 . . . . . . . . 4999 1 844 . 1 1 78 78 ALA H H 1 7.97 0.02 . 1 . . . . . . . . 4999 1 845 . 1 1 78 78 ALA HA H 1 4.10 0.05 . 1 . . . . . . . . 4999 1 846 . 1 1 78 78 ALA HB1 H 1 1.49 0.05 . 1 . . . . . . . . 4999 1 847 . 1 1 78 78 ALA HB2 H 1 1.49 0.05 . 1 . . . . . . . . 4999 1 848 . 1 1 78 78 ALA HB3 H 1 1.49 0.05 . 1 . . . . . . . . 4999 1 849 . 1 1 78 78 ALA C C 13 180.8 0.2 . 1 . . . . . . . . 4999 1 850 . 1 1 78 78 ALA CA C 13 55.0 0.2 . 1 . . . . . . . . 4999 1 851 . 1 1 78 78 ALA CB C 13 17.9 0.2 . 1 . . . . . . . . 4999 1 852 . 1 1 78 78 ALA N N 15 119.1 0.2 . 1 . . . . . . . . 4999 1 853 . 1 1 79 79 ALA H H 1 7.73 0.02 . 1 . . . . . . . . 4999 1 854 . 1 1 79 79 ALA HA H 1 4.12 0.05 . 1 . . . . . . . . 4999 1 855 . 1 1 79 79 ALA HB1 H 1 1.34 0.05 . 1 . . . . . . . . 4999 1 856 . 1 1 79 79 ALA HB2 H 1 1.34 0.05 . 1 . . . . . . . . 4999 1 857 . 1 1 79 79 ALA HB3 H 1 1.34 0.05 . 1 . . . . . . . . 4999 1 858 . 1 1 79 79 ALA C C 13 181.3 0.2 . 1 . . . . . . . . 4999 1 859 . 1 1 79 79 ALA CA C 13 55.1 0.2 . 1 . . . . . . . . 4999 1 860 . 1 1 79 79 ALA CB C 13 18.0 0.2 . 1 . . . . . . . . 4999 1 861 . 1 1 79 79 ALA N N 15 120.9 0.2 . 1 . . . . . . . . 4999 1 862 . 1 1 80 80 TYR H H 1 8.33 0.02 . 1 . . . . . . . . 4999 1 863 . 1 1 80 80 TYR HA H 1 4.57 0.05 . 1 . . . . . . . . 4999 1 864 . 1 1 80 80 TYR HB2 H 1 2.94 0.05 . 2 . . . . . . . . 4999 1 865 . 1 1 80 80 TYR HB3 H 1 2.89 0.05 . 2 . . . . . . . . 4999 1 866 . 1 1 80 80 TYR C C 13 178.8 0.2 . 1 . . . . . . . . 4999 1 867 . 1 1 80 80 TYR CA C 13 62.1 0.2 . 1 . . . . . . . . 4999 1 868 . 1 1 80 80 TYR CB C 13 38.0 0.2 . 1 . . . . . . . . 4999 1 869 . 1 1 80 80 TYR N N 15 118.7 0.2 . 1 . . . . . . . . 4999 1 870 . 1 1 81 81 VAL H H 1 8.79 0.02 . 1 . . . . . . . . 4999 1 871 . 1 1 81 81 VAL HA H 1 3.64 0.05 . 1 . . . . . . . . 4999 1 872 . 1 1 81 81 VAL HB H 1 2.23 0.05 . 1 . . . . . . . . 4999 1 873 . 1 1 81 81 VAL HG11 H 1 1.17 0.05 . 2 . . . . . . . . 4999 1 874 . 1 1 81 81 VAL HG12 H 1 1.17 0.05 . 2 . . . . . . . . 4999 1 875 . 1 1 81 81 VAL HG13 H 1 1.17 0.05 . 2 . . . . . . . . 4999 1 876 . 1 1 81 81 VAL HG21 H 1 1.00 0.05 . 2 . . . . . . . . 4999 1 877 . 1 1 81 81 VAL HG22 H 1 1.00 0.05 . 2 . . . . . . . . 4999 1 878 . 1 1 81 81 VAL HG23 H 1 1.00 0.05 . 2 . . . . . . . . 4999 1 879 . 1 1 81 81 VAL C C 13 178.9 0.2 . 1 . . . . . . . . 4999 1 880 . 1 1 81 81 VAL CA C 13 67.9 0.2 . 1 . . . . . . . . 4999 1 881 . 1 1 81 81 VAL CB C 13 31.5 0.2 . 1 . . . . . . . . 4999 1 882 . 1 1 81 81 VAL CG1 C 13 23.8 0.2 . 2 . . . . . . . . 4999 1 883 . 1 1 81 81 VAL CG2 C 13 21.5 0.2 . 2 . . . . . . . . 4999 1 884 . 1 1 81 81 VAL N N 15 120.8 0.2 . 1 . . . . . . . . 4999 1 885 . 1 1 82 82 LYS H H 1 8.00 0.02 . 1 . . . . . . . . 4999 1 886 . 1 1 82 82 LYS HA H 1 4.13 0.05 . 1 . . . . . . . . 4999 1 887 . 1 1 82 82 LYS HB2 H 1 1.99 0.05 . 1 . . . . . . . . 4999 1 888 . 1 1 82 82 LYS HB3 H 1 1.99 0.05 . 1 . . . . . . . . 4999 1 889 . 1 1 82 82 LYS HG2 H 1 1.55 0.05 . 2 . . . . . . . . 4999 1 890 . 1 1 82 82 LYS HG3 H 1 1.46 0.05 . 2 . . . . . . . . 4999 1 891 . 1 1 82 82 LYS HD2 H 1 1.73 0.05 . 1 . . . . . . . . 4999 1 892 . 1 1 82 82 LYS HD3 H 1 1.73 0.05 . 1 . . . . . . . . 4999 1 893 . 1 1 82 82 LYS HE2 H 1 2.99 0.05 . 1 . . . . . . . . 4999 1 894 . 1 1 82 82 LYS HE3 H 1 2.99 0.05 . 1 . . . . . . . . 4999 1 895 . 1 1 82 82 LYS C C 13 180.1 0.2 . 1 . . . . . . . . 4999 1 896 . 1 1 82 82 LYS CA C 13 59.8 0.2 . 1 . . . . . . . . 4999 1 897 . 1 1 82 82 LYS CB C 13 31.8 0.2 . 1 . . . . . . . . 4999 1 898 . 1 1 82 82 LYS CG C 13 25.1 0.2 . 1 . . . . . . . . 4999 1 899 . 1 1 82 82 LYS CD C 13 29.3 0.2 . 1 . . . . . . . . 4999 1 900 . 1 1 82 82 LYS CE C 13 42.2 0.2 . 1 . . . . . . . . 4999 1 901 . 1 1 82 82 LYS N N 15 121.6 0.2 . 1 . . . . . . . . 4999 1 902 . 1 1 83 83 SER H H 1 8.33 0.02 . 1 . . . . . . . . 4999 1 903 . 1 1 83 83 SER HA H 1 4.19 0.05 . 1 . . . . . . . . 4999 1 904 . 1 1 83 83 SER HB2 H 1 4.01 0.05 . 1 . . . . . . . . 4999 1 905 . 1 1 83 83 SER HB3 H 1 4.01 0.05 . 1 . . . . . . . . 4999 1 906 . 1 1 83 83 SER C C 13 177.9 0.2 . 1 . . . . . . . . 4999 1 907 . 1 1 83 83 SER CA C 13 62.5 0.2 . 1 . . . . . . . . 4999 1 908 . 1 1 83 83 SER CB C 13 62.5 0.2 . 1 . . . . . . . . 4999 1 909 . 1 1 83 83 SER N N 15 116.7 0.2 . 1 . . . . . . . . 4999 1 910 . 1 1 84 84 LEU H H 1 8.78 0.02 . 1 . . . . . . . . 4999 1 911 . 1 1 84 84 LEU HA H 1 4.43 0.05 . 1 . . . . . . . . 4999 1 912 . 1 1 84 84 LEU HB2 H 1 1.81 0.05 . 1 . . . . . . . . 4999 1 913 . 1 1 84 84 LEU HB3 H 1 1.81 0.05 . 1 . . . . . . . . 4999 1 914 . 1 1 84 84 LEU HG H 1 1.89 0.05 . 1 . . . . . . . . 4999 1 915 . 1 1 84 84 LEU HD11 H 1 0.99 0.05 . 2 . . . . . . . . 4999 1 916 . 1 1 84 84 LEU HD12 H 1 0.99 0.05 . 2 . . . . . . . . 4999 1 917 . 1 1 84 84 LEU HD13 H 1 0.99 0.05 . 2 . . . . . . . . 4999 1 918 . 1 1 84 84 LEU C C 13 179.3 0.2 . 1 . . . . . . . . 4999 1 919 . 1 1 84 84 LEU CA C 13 58.2 0.2 . 1 . . . . . . . . 4999 1 920 . 1 1 84 84 LEU CB C 13 42.4 0.2 . 1 . . . . . . . . 4999 1 921 . 1 1 84 84 LEU CD1 C 13 25.3 0.2 . 2 . . . . . . . . 4999 1 922 . 1 1 84 84 LEU N N 15 123.5 0.2 . 1 . . . . . . . . 4999 1 923 . 1 1 85 85 SER H H 1 8.02 0.02 . 1 . . . . . . . . 4999 1 924 . 1 1 85 85 SER HA H 1 4.33 0.05 . 1 . . . . . . . . 4999 1 925 . 1 1 85 85 SER HB2 H 1 4.13 0.05 . 1 . . . . . . . . 4999 1 926 . 1 1 85 85 SER HB3 H 1 4.13 0.05 . 1 . . . . . . . . 4999 1 927 . 1 1 85 85 SER C C 13 174.8 0.2 . 1 . . . . . . . . 4999 1 928 . 1 1 85 85 SER CA C 13 61.3 0.2 . 1 . . . . . . . . 4999 1 929 . 1 1 85 85 SER CB C 13 63.4 0.2 . 1 . . . . . . . . 4999 1 930 . 1 1 85 85 SER N N 15 113.4 0.2 . 1 . . . . . . . . 4999 1 931 . 1 1 86 86 LYS H H 1 7.30 0.02 . 1 . . . . . . . . 4999 1 932 . 1 1 86 86 LYS HA H 1 4.45 0.05 . 1 . . . . . . . . 4999 1 933 . 1 1 86 86 LYS HB2 H 1 2.11 0.05 . 2 . . . . . . . . 4999 1 934 . 1 1 86 86 LYS HB3 H 1 1.90 0.05 . 2 . . . . . . . . 4999 1 935 . 1 1 86 86 LYS HG2 H 1 1.64 0.05 . 2 . . . . . . . . 4999 1 936 . 1 1 86 86 LYS HG3 H 1 1.57 0.05 . 2 . . . . . . . . 4999 1 937 . 1 1 86 86 LYS HD2 H 1 1.71 0.05 . 1 . . . . . . . . 4999 1 938 . 1 1 86 86 LYS HD3 H 1 1.71 0.05 . 1 . . . . . . . . 4999 1 939 . 1 1 86 86 LYS HE2 H 1 3.00 0.05 . 1 . . . . . . . . 4999 1 940 . 1 1 86 86 LYS HE3 H 1 3.00 0.05 . 1 . . . . . . . . 4999 1 941 . 1 1 86 86 LYS C C 13 177.3 0.2 . 1 . . . . . . . . 4999 1 942 . 1 1 86 86 LYS CA C 13 56.0 0.2 . 1 . . . . . . . . 4999 1 943 . 1 1 86 86 LYS CB C 13 33.1 0.2 . 1 . . . . . . . . 4999 1 944 . 1 1 86 86 LYS CG C 13 25.0 0.2 . 1 . . . . . . . . 4999 1 945 . 1 1 86 86 LYS CD C 13 29.1 0.2 . 1 . . . . . . . . 4999 1 946 . 1 1 86 86 LYS CE C 13 42.2 0.2 . 1 . . . . . . . . 4999 1 947 . 1 1 86 86 LYS N N 15 118.9 0.2 . 1 . . . . . . . . 4999 1 948 . 1 1 87 87 CYS H H 1 7.52 0.02 . 1 . . . . . . . . 4999 1 949 . 1 1 87 87 CYS HA H 1 4.36 0.05 . 1 . . . . . . . . 4999 1 950 . 1 1 87 87 CYS HB2 H 1 3.25 0.05 . 2 . . . . . . . . 4999 1 951 . 1 1 87 87 CYS HB3 H 1 2.59 0.05 . 2 . . . . . . . . 4999 1 952 . 1 1 87 87 CYS C C 13 175.7 0.2 . 1 . . . . . . . . 4999 1 953 . 1 1 87 87 CYS CA C 13 61.9 0.2 . 1 . . . . . . . . 4999 1 954 . 1 1 87 87 CYS CB C 13 29.9 0.2 . 1 . . . . . . . . 4999 1 955 . 1 1 87 87 CYS N N 15 118.5 0.2 . 1 . . . . . . . . 4999 1 956 . 1 1 88 88 LYS H H 1 9.32 0.02 . 1 . . . . . . . . 4999 1 957 . 1 1 88 88 LYS HA H 1 4.57 0.05 . 1 . . . . . . . . 4999 1 958 . 1 1 88 88 LYS HB2 H 1 2.00 0.05 . 1 . . . . . . . . 4999 1 959 . 1 1 88 88 LYS HB3 H 1 2.00 0.05 . 1 . . . . . . . . 4999 1 960 . 1 1 88 88 LYS HG2 H 1 1.64 0.05 . 2 . . . . . . . . 4999 1 961 . 1 1 88 88 LYS HG3 H 1 1.55 0.05 . 2 . . . . . . . . 4999 1 962 . 1 1 88 88 LYS HD2 H 1 1.78 0.05 . 1 . . . . . . . . 4999 1 963 . 1 1 88 88 LYS HD3 H 1 1.78 0.05 . 1 . . . . . . . . 4999 1 964 . 1 1 88 88 LYS HE2 H 1 3.10 0.05 . 1 . . . . . . . . 4999 1 965 . 1 1 88 88 LYS HE3 H 1 3.10 0.05 . 1 . . . . . . . . 4999 1 966 . 1 1 88 88 LYS C C 13 176.7 0.2 . 1 . . . . . . . . 4999 1 967 . 1 1 88 88 LYS CA C 13 56.5 0.2 . 1 . . . . . . . . 4999 1 968 . 1 1 88 88 LYS CB C 13 34.7 0.2 . 1 . . . . . . . . 4999 1 969 . 1 1 88 88 LYS CG C 13 24.9 0.2 . 1 . . . . . . . . 4999 1 970 . 1 1 88 88 LYS CD C 13 28.9 0.2 . 1 . . . . . . . . 4999 1 971 . 1 1 88 88 LYS CE C 13 42.2 0.2 . 1 . . . . . . . . 4999 1 972 . 1 1 88 88 LYS N N 15 121.6 0.2 . 1 . . . . . . . . 4999 1 973 . 1 1 89 89 THR H H 1 7.49 0.02 . 1 . . . . . . . . 4999 1 974 . 1 1 89 89 THR HA H 1 4.89 0.05 . 1 . . . . . . . . 4999 1 975 . 1 1 89 89 THR HB H 1 4.72 0.05 . 1 . . . . . . . . 4999 1 976 . 1 1 89 89 THR HG21 H 1 1.25 0.05 . 1 . . . . . . . . 4999 1 977 . 1 1 89 89 THR HG22 H 1 1.25 0.05 . 1 . . . . . . . . 4999 1 978 . 1 1 89 89 THR HG23 H 1 1.25 0.05 . 1 . . . . . . . . 4999 1 979 . 1 1 89 89 THR C C 13 175.0 0.2 . 1 . . . . . . . . 4999 1 980 . 1 1 89 89 THR CA C 13 58.9 0.2 . 1 . . . . . . . . 4999 1 981 . 1 1 89 89 THR CB C 13 73.1 0.2 . 1 . . . . . . . . 4999 1 982 . 1 1 89 89 THR CG2 C 13 21.8 0.2 . 1 . . . . . . . . 4999 1 983 . 1 1 89 89 THR N N 15 107.6 0.2 . 1 . . . . . . . . 4999 1 984 . 1 1 90 90 ASP H H 1 9.04 0.02 . 1 . . . . . . . . 4999 1 985 . 1 1 90 90 ASP HA H 1 4.41 0.05 . 1 . . . . . . . . 4999 1 986 . 1 1 90 90 ASP HB2 H 1 2.72 0.05 . 1 . . . . . . . . 4999 1 987 . 1 1 90 90 ASP HB3 H 1 2.72 0.05 . 1 . . . . . . . . 4999 1 988 . 1 1 90 90 ASP C C 13 178.7 0.2 . 1 . . . . . . . . 4999 1 989 . 1 1 90 90 ASP CA C 13 57.4 0.2 . 1 . . . . . . . . 4999 1 990 . 1 1 90 90 ASP CB C 13 40.5 0.2 . 1 . . . . . . . . 4999 1 991 . 1 1 90 90 ASP N N 15 121.7 0.2 . 1 . . . . . . . . 4999 1 992 . 1 1 91 91 GLN H H 1 8.48 0.02 . 1 . . . . . . . . 4999 1 993 . 1 1 91 91 GLN HA H 1 4.04 0.05 . 1 . . . . . . . . 4999 1 994 . 1 1 91 91 GLN HB2 H 1 2.17 0.05 . 2 . . . . . . . . 4999 1 995 . 1 1 91 91 GLN HB3 H 1 2.08 0.05 . 2 . . . . . . . . 4999 1 996 . 1 1 91 91 GLN HG2 H 1 2.53 0.05 . 1 . . . . . . . . 4999 1 997 . 1 1 91 91 GLN HG3 H 1 2.53 0.05 . 1 . . . . . . . . 4999 1 998 . 1 1 91 91 GLN HE21 H 1 7.58 0.02 . 2 . . . . . . . . 4999 1 999 . 1 1 91 91 GLN HE22 H 1 6.95 0.02 . 2 . . . . . . . . 4999 1 1000 . 1 1 91 91 GLN C C 13 178.9 0.2 . 1 . . . . . . . . 4999 1 1001 . 1 1 91 91 GLN CA C 13 59.4 0.2 . 1 . . . . . . . . 4999 1 1002 . 1 1 91 91 GLN CB C 13 28.1 0.2 . 1 . . . . . . . . 4999 1 1003 . 1 1 91 91 GLN CG C 13 34.2 0.2 . 1 . . . . . . . . 4999 1 1004 . 1 1 91 91 GLN N N 15 119.6 0.2 . 1 . . . . . . . . 4999 1 1005 . 1 1 91 91 GLN NE2 N 15 112.7 0.2 . 1 . . . . . . . . 4999 1 1006 . 1 1 92 92 GLU H H 1 7.77 0.02 . 1 . . . . . . . . 4999 1 1007 . 1 1 92 92 GLU HA H 1 4.10 0.05 . 1 . . . . . . . . 4999 1 1008 . 1 1 92 92 GLU HB2 H 1 2.18 0.05 . 2 . . . . . . . . 4999 1 1009 . 1 1 92 92 GLU HB3 H 1 2.08 0.05 . 2 . . . . . . . . 4999 1 1010 . 1 1 92 92 GLU HG2 H 1 2.48 0.05 . 2 . . . . . . . . 4999 1 1011 . 1 1 92 92 GLU HG3 H 1 2.37 0.05 . 2 . . . . . . . . 4999 1 1012 . 1 1 92 92 GLU C C 13 179.1 0.2 . 1 . . . . . . . . 4999 1 1013 . 1 1 92 92 GLU CA C 13 59.5 0.2 . 1 . . . . . . . . 4999 1 1014 . 1 1 92 92 GLU CB C 13 29.5 0.2 . 1 . . . . . . . . 4999 1 1015 . 1 1 92 92 GLU CG C 13 37.3 0.2 . 1 . . . . . . . . 4999 1 1016 . 1 1 92 92 GLU N N 15 120.7 0.2 . 1 . . . . . . . . 4999 1 1017 . 1 1 93 93 VAL H H 1 7.71 0.02 . 1 . . . . . . . . 4999 1 1018 . 1 1 93 93 VAL HA H 1 3.76 0.05 . 1 . . . . . . . . 4999 1 1019 . 1 1 93 93 VAL HB H 1 2.22 0.05 . 1 . . . . . . . . 4999 1 1020 . 1 1 93 93 VAL HG11 H 1 1.06 0.05 . 2 . . . . . . . . 4999 1 1021 . 1 1 93 93 VAL HG12 H 1 1.06 0.05 . 2 . . . . . . . . 4999 1 1022 . 1 1 93 93 VAL HG13 H 1 1.06 0.05 . 2 . . . . . . . . 4999 1 1023 . 1 1 93 93 VAL HG21 H 1 0.84 0.05 . 2 . . . . . . . . 4999 1 1024 . 1 1 93 93 VAL HG22 H 1 0.84 0.05 . 2 . . . . . . . . 4999 1 1025 . 1 1 93 93 VAL HG23 H 1 0.84 0.05 . 2 . . . . . . . . 4999 1 1026 . 1 1 93 93 VAL C C 13 177.9 0.2 . 1 . . . . . . . . 4999 1 1027 . 1 1 93 93 VAL CA C 13 66.9 0.2 . 1 . . . . . . . . 4999 1 1028 . 1 1 93 93 VAL CB C 13 32.1 0.2 . 1 . . . . . . . . 4999 1 1029 . 1 1 93 93 VAL CG1 C 13 23.4 0.2 . 2 . . . . . . . . 4999 1 1030 . 1 1 93 93 VAL CG2 C 13 22.0 0.2 . 2 . . . . . . . . 4999 1 1031 . 1 1 93 93 VAL N N 15 120.5 0.2 . 1 . . . . . . . . 4999 1 1032 . 1 1 94 94 LYS H H 1 8.11 0.02 . 1 . . . . . . . . 4999 1 1033 . 1 1 94 94 LYS HA H 1 3.87 0.05 . 1 . . . . . . . . 4999 1 1034 . 1 1 94 94 LYS HB2 H 1 1.92 0.05 . 1 . . . . . . . . 4999 1 1035 . 1 1 94 94 LYS HB3 H 1 1.92 0.05 . 1 . . . . . . . . 4999 1 1036 . 1 1 94 94 LYS HG2 H 1 1.56 0.05 . 2 . . . . . . . . 4999 1 1037 . 1 1 94 94 LYS HG3 H 1 1.43 0.05 . 2 . . . . . . . . 4999 1 1038 . 1 1 94 94 LYS HD2 H 1 1.69 0.05 . 1 . . . . . . . . 4999 1 1039 . 1 1 94 94 LYS HD3 H 1 1.69 0.05 . 1 . . . . . . . . 4999 1 1040 . 1 1 94 94 LYS HE2 H 1 3.01 0.05 . 1 . . . . . . . . 4999 1 1041 . 1 1 94 94 LYS HE3 H 1 3.01 0.05 . 1 . . . . . . . . 4999 1 1042 . 1 1 94 94 LYS C C 13 178.5 0.2 . 1 . . . . . . . . 4999 1 1043 . 1 1 94 94 LYS CA C 13 59.6 0.2 . 1 . . . . . . . . 4999 1 1044 . 1 1 94 94 LYS CB C 13 32.4 0.2 . 1 . . . . . . . . 4999 1 1045 . 1 1 94 94 LYS CG C 13 25.4 0.2 . 1 . . . . . . . . 4999 1 1046 . 1 1 94 94 LYS CD C 13 29.5 0.2 . 1 . . . . . . . . 4999 1 1047 . 1 1 94 94 LYS CE C 13 42.4 0.2 . 1 . . . . . . . . 4999 1 1048 . 1 1 94 94 LYS N N 15 119.2 0.2 . 1 . . . . . . . . 4999 1 1049 . 1 1 95 95 ALA H H 1 7.67 0.02 . 1 . . . . . . . . 4999 1 1050 . 1 1 95 95 ALA HA H 1 4.23 0.05 . 1 . . . . . . . . 4999 1 1051 . 1 1 95 95 ALA HB1 H 1 1.58 0.05 . 1 . . . . . . . . 4999 1 1052 . 1 1 95 95 ALA HB2 H 1 1.58 0.05 . 1 . . . . . . . . 4999 1 1053 . 1 1 95 95 ALA HB3 H 1 1.58 0.05 . 1 . . . . . . . . 4999 1 1054 . 1 1 95 95 ALA C C 13 180.9 0.2 . 1 . . . . . . . . 4999 1 1055 . 1 1 95 95 ALA CA C 13 55.1 0.2 . 1 . . . . . . . . 4999 1 1056 . 1 1 95 95 ALA CB C 13 18.1 0.2 . 1 . . . . . . . . 4999 1 1057 . 1 1 95 95 ALA N N 15 120.4 0.2 . 1 . . . . . . . . 4999 1 1058 . 1 1 96 96 VAL H H 1 7.71 0.02 . 1 . . . . . . . . 4999 1 1059 . 1 1 96 96 VAL HA H 1 3.76 0.05 . 1 . . . . . . . . 4999 1 1060 . 1 1 96 96 VAL HB H 1 2.22 0.05 . 1 . . . . . . . . 4999 1 1061 . 1 1 96 96 VAL HG11 H 1 1.03 0.05 . 2 . . . . . . . . 4999 1 1062 . 1 1 96 96 VAL HG12 H 1 1.03 0.05 . 2 . . . . . . . . 4999 1 1063 . 1 1 96 96 VAL HG13 H 1 1.03 0.05 . 2 . . . . . . . . 4999 1 1064 . 1 1 96 96 VAL HG21 H 1 0.99 0.05 . 2 . . . . . . . . 4999 1 1065 . 1 1 96 96 VAL HG22 H 1 0.99 0.05 . 2 . . . . . . . . 4999 1 1066 . 1 1 96 96 VAL HG23 H 1 0.99 0.05 . 2 . . . . . . . . 4999 1 1067 . 1 1 96 96 VAL C C 13 177.9 0.2 . 1 . . . . . . . . 4999 1 1068 . 1 1 96 96 VAL CA C 13 66.9 0.2 . 1 . . . . . . . . 4999 1 1069 . 1 1 96 96 VAL CB C 13 31.7 0.2 . 1 . . . . . . . . 4999 1 1070 . 1 1 96 96 VAL CG1 C 13 24.0 0.2 . 2 . . . . . . . . 4999 1 1071 . 1 1 96 96 VAL CG2 C 13 21.8 0.2 . 2 . . . . . . . . 4999 1 1072 . 1 1 96 96 VAL N N 15 119.0 0.2 . 1 . . . . . . . . 4999 1 1073 . 1 1 97 97 MET H H 1 8.27 0.02 . 1 . . . . . . . . 4999 1 1074 . 1 1 97 97 MET HA H 1 4.30 0.05 . 1 . . . . . . . . 4999 1 1075 . 1 1 97 97 MET HB2 H 1 2.14 0.05 . 2 . . . . . . . . 4999 1 1076 . 1 1 97 97 MET HB3 H 1 2.07 0.05 . 2 . . . . . . . . 4999 1 1077 . 1 1 97 97 MET HG2 H 1 2.68 0.05 . 2 . . . . . . . . 4999 1 1078 . 1 1 97 97 MET HG3 H 1 2.62 0.05 . 2 . . . . . . . . 4999 1 1079 . 1 1 97 97 MET C C 13 179.3 0.2 . 1 . . . . . . . . 4999 1 1080 . 1 1 97 97 MET CA C 13 56.6 0.2 . 1 . . . . . . . . 4999 1 1081 . 1 1 97 97 MET CB C 13 29.1 0.2 . 1 . . . . . . . . 4999 1 1082 . 1 1 97 97 MET CG C 13 31.6 0.2 . 1 . . . . . . . . 4999 1 1083 . 1 1 97 97 MET N N 15 116.5 0.2 . 1 . . . . . . . . 4999 1 1084 . 1 1 98 98 GLU H H 1 8.27 0.02 . 1 . . . . . . . . 4999 1 1085 . 1 1 98 98 GLU HA H 1 4.08 0.05 . 1 . . . . . . . . 4999 1 1086 . 1 1 98 98 GLU HB2 H 1 2.19 0.05 . 2 . . . . . . . . 4999 1 1087 . 1 1 98 98 GLU HB3 H 1 2.08 0.05 . 2 . . . . . . . . 4999 1 1088 . 1 1 98 98 GLU HG2 H 1 2.54 0.05 . 2 . . . . . . . . 4999 1 1089 . 1 1 98 98 GLU HG3 H 1 2.31 0.05 . 2 . . . . . . . . 4999 1 1090 . 1 1 98 98 GLU C C 13 179.3 0.2 . 1 . . . . . . . . 4999 1 1091 . 1 1 98 98 GLU CA C 13 59.6 0.2 . 1 . . . . . . . . 4999 1 1092 . 1 1 98 98 GLU CB C 13 29.4 0.2 . 1 . . . . . . . . 4999 1 1093 . 1 1 98 98 GLU CG C 13 36.5 0.2 . 1 . . . . . . . . 4999 1 1094 . 1 1 98 98 GLU N N 15 120.1 0.2 . 1 . . . . . . . . 4999 1 1095 . 1 1 99 99 LEU H H 1 7.37 0.02 . 1 . . . . . . . . 4999 1 1096 . 1 1 99 99 LEU HA H 1 4.13 0.05 . 1 . . . . . . . . 4999 1 1097 . 1 1 99 99 LEU HB2 H 1 2.28 0.05 . 2 . . . . . . . . 4999 1 1098 . 1 1 99 99 LEU HB3 H 1 1.93 0.05 . 2 . . . . . . . . 4999 1 1099 . 1 1 99 99 LEU HG H 1 2.01 0.05 . 1 . . . . . . . . 4999 1 1100 . 1 1 99 99 LEU HD11 H 1 1.08 0.05 . 2 . . . . . . . . 4999 1 1101 . 1 1 99 99 LEU HD12 H 1 1.08 0.05 . 2 . . . . . . . . 4999 1 1102 . 1 1 99 99 LEU HD13 H 1 1.08 0.05 . 2 . . . . . . . . 4999 1 1103 . 1 1 99 99 LEU HD21 H 1 0.93 0.05 . 2 . . . . . . . . 4999 1 1104 . 1 1 99 99 LEU HD22 H 1 0.93 0.05 . 2 . . . . . . . . 4999 1 1105 . 1 1 99 99 LEU HD23 H 1 0.93 0.05 . 2 . . . . . . . . 4999 1 1106 . 1 1 99 99 LEU C C 13 179.4 0.2 . 1 . . . . . . . . 4999 1 1107 . 1 1 99 99 LEU CA C 13 58.1 0.2 . 1 . . . . . . . . 4999 1 1108 . 1 1 99 99 LEU CB C 13 41.1 0.2 . 1 . . . . . . . . 4999 1 1109 . 1 1 99 99 LEU CG C 13 26.3 0.2 . 1 . . . . . . . . 4999 1 1110 . 1 1 99 99 LEU CD1 C 13 25.9 0.2 . 2 . . . . . . . . 4999 1 1111 . 1 1 99 99 LEU CD2 C 13 22.8 0.2 . 2 . . . . . . . . 4999 1 1112 . 1 1 99 99 LEU N N 15 121.2 0.2 . 1 . . . . . . . . 4999 1 1113 . 1 1 100 100 VAL H H 1 7.91 0.02 . 1 . . . . . . . . 4999 1 1114 . 1 1 100 100 VAL HA H 1 3.03 0.05 . 1 . . . . . . . . 4999 1 1115 . 1 1 100 100 VAL HB H 1 2.03 0.05 . 1 . . . . . . . . 4999 1 1116 . 1 1 100 100 VAL HG11 H 1 0.65 0.05 . 2 . . . . . . . . 4999 1 1117 . 1 1 100 100 VAL HG12 H 1 0.65 0.05 . 2 . . . . . . . . 4999 1 1118 . 1 1 100 100 VAL HG13 H 1 0.65 0.05 . 2 . . . . . . . . 4999 1 1119 . 1 1 100 100 VAL HG21 H 1 0.17 0.05 . 2 . . . . . . . . 4999 1 1120 . 1 1 100 100 VAL HG22 H 1 0.17 0.05 . 2 . . . . . . . . 4999 1 1121 . 1 1 100 100 VAL HG23 H 1 0.17 0.05 . 2 . . . . . . . . 4999 1 1122 . 1 1 100 100 VAL C C 13 177.9 0.2 . 1 . . . . . . . . 4999 1 1123 . 1 1 100 100 VAL CA C 13 66.4 0.2 . 1 . . . . . . . . 4999 1 1124 . 1 1 100 100 VAL CB C 13 31.6 0.2 . 1 . . . . . . . . 4999 1 1125 . 1 1 100 100 VAL CG1 C 13 21.2 0.2 . 1 . . . . . . . . 4999 1 1126 . 1 1 100 100 VAL CG2 C 13 21.2 0.2 . 1 . . . . . . . . 4999 1 1127 . 1 1 100 100 VAL N N 15 119.8 0.2 . 1 . . . . . . . . 4999 1 1128 . 1 1 101 101 GLU H H 1 8.21 0.02 . 1 . . . . . . . . 4999 1 1129 . 1 1 101 101 GLU HA H 1 3.91 0.05 . 1 . . . . . . . . 4999 1 1130 . 1 1 101 101 GLU HB2 H 1 2.15 0.05 . 2 . . . . . . . . 4999 1 1131 . 1 1 101 101 GLU HB3 H 1 2.08 0.05 . 2 . . . . . . . . 4999 1 1132 . 1 1 101 101 GLU HG2 H 1 2.45 0.05 . 2 . . . . . . . . 4999 1 1133 . 1 1 101 101 GLU HG3 H 1 2.31 0.05 . 2 . . . . . . . . 4999 1 1134 . 1 1 101 101 GLU C C 13 179.0 0.2 . 1 . . . . . . . . 4999 1 1135 . 1 1 101 101 GLU CA C 13 59.5 0.05 . 1 . . . . . . . . 4999 1 1136 . 1 1 101 101 GLU CB C 13 28.8 0.05 . 1 . . . . . . . . 4999 1 1137 . 1 1 101 101 GLU CG C 13 35.5 0.05 . 1 . . . . . . . . 4999 1 1138 . 1 1 101 101 GLU N N 15 117.4 0.2 . 1 . . . . . . . . 4999 1 1139 . 1 1 102 102 GLU H H 1 7.95 0.02 . 1 . . . . . . . . 4999 1 1140 . 1 1 102 102 GLU HA H 1 4.08 0.05 . 1 . . . . . . . . 4999 1 1141 . 1 1 102 102 GLU HB2 H 1 2.22 0.05 . 1 . . . . . . . . 4999 1 1142 . 1 1 102 102 GLU HB3 H 1 2.22 0.05 . 1 . . . . . . . . 4999 1 1143 . 1 1 102 102 GLU HG2 H 1 2.55 0.05 . 2 . . . . . . . . 4999 1 1144 . 1 1 102 102 GLU HG3 H 1 2.39 0.05 . 2 . . . . . . . . 4999 1 1145 . 1 1 102 102 GLU C C 13 179.3 0.2 . 1 . . . . . . . . 4999 1 1146 . 1 1 102 102 GLU CA C 13 59.4 0.2 . 1 . . . . . . . . 4999 1 1147 . 1 1 102 102 GLU CB C 13 29.2 0.2 . 1 . . . . . . . . 4999 1 1148 . 1 1 102 102 GLU CG C 13 36.0 0.2 . 1 . . . . . . . . 4999 1 1149 . 1 1 102 102 GLU N N 15 119.9 0.2 . 1 . . . . . . . . 4999 1 1150 . 1 1 103 103 ASP H H 1 8.22 0.02 . 1 . . . . . . . . 4999 1 1151 . 1 1 103 103 ASP HA H 1 4.57 0.05 . 1 . . . . . . . . 4999 1 1152 . 1 1 103 103 ASP HB2 H 1 3.05 0.05 . 2 . . . . . . . . 4999 1 1153 . 1 1 103 103 ASP HB3 H 1 2.78 0.05 . 2 . . . . . . . . 4999 1 1154 . 1 1 103 103 ASP C C 13 179.7 0.2 . 1 . . . . . . . . 4999 1 1155 . 1 1 103 103 ASP CA C 13 57.1 0.2 . 1 . . . . . . . . 4999 1 1156 . 1 1 103 103 ASP CB C 13 40.5 0.2 . 1 . . . . . . . . 4999 1 1157 . 1 1 103 103 ASP N N 15 121.9 0.2 . 1 . . . . . . . . 4999 1 1158 . 1 1 104 104 ILE H H 1 8.61 0.02 . 1 . . . . . . . . 4999 1 1159 . 1 1 104 104 ILE HA H 1 3.57 0.05 . 1 . . . . . . . . 4999 1 1160 . 1 1 104 104 ILE HB H 1 1.93 0.05 . 1 . . . . . . . . 4999 1 1161 . 1 1 104 104 ILE HG12 H 1 2.05 0.05 . 2 . . . . . . . . 4999 1 1162 . 1 1 104 104 ILE HG13 H 1 0.78 0.05 . 2 . . . . . . . . 4999 1 1163 . 1 1 104 104 ILE HG21 H 1 0.91 0.05 . 1 . . . . . . . . 4999 1 1164 . 1 1 104 104 ILE HG22 H 1 0.91 0.05 . 1 . . . . . . . . 4999 1 1165 . 1 1 104 104 ILE HG23 H 1 0.91 0.05 . 1 . . . . . . . . 4999 1 1166 . 1 1 104 104 ILE HD11 H 1 0.85 0.05 . 1 . . . . . . . . 4999 1 1167 . 1 1 104 104 ILE HD12 H 1 0.85 0.05 . 1 . . . . . . . . 4999 1 1168 . 1 1 104 104 ILE HD13 H 1 0.85 0.05 . 1 . . . . . . . . 4999 1 1169 . 1 1 104 104 ILE C C 13 179.2 0.2 . 1 . . . . . . . . 4999 1 1170 . 1 1 104 104 ILE CA C 13 66.3 0.2 . 1 . . . . . . . . 4999 1 1171 . 1 1 104 104 ILE CB C 13 38.3 0.2 . 1 . . . . . . . . 4999 1 1172 . 1 1 104 104 ILE CG1 C 13 30.0 0.2 . 1 . . . . . . . . 4999 1 1173 . 1 1 104 104 ILE CG2 C 13 17.4 0.2 . 1 . . . . . . . . 4999 1 1174 . 1 1 104 104 ILE CD1 C 13 14.5 0.2 . 1 . . . . . . . . 4999 1 1175 . 1 1 104 104 ILE N N 15 120.9 0.2 . 1 . . . . . . . . 4999 1 1176 . 1 1 105 105 GLU H H 1 8.38 0.02 . 1 . . . . . . . . 4999 1 1177 . 1 1 105 105 GLU HA H 1 4.07 0.05 . 1 . . . . . . . . 4999 1 1178 . 1 1 105 105 GLU HB2 H 1 2.17 0.05 . 1 . . . . . . . . 4999 1 1179 . 1 1 105 105 GLU HB3 H 1 2.17 0.05 . 1 . . . . . . . . 4999 1 1180 . 1 1 105 105 GLU HG2 H 1 2.50 0.05 . 2 . . . . . . . . 4999 1 1181 . 1 1 105 105 GLU HG3 H 1 2.39 0.05 . 2 . . . . . . . . 4999 1 1182 . 1 1 105 105 GLU C C 13 178.6 0.2 . 1 . . . . . . . . 4999 1 1183 . 1 1 105 105 GLU CA C 13 59.2 0.2 . 1 . . . . . . . . 4999 1 1184 . 1 1 105 105 GLU CB C 13 29.0 0.2 . 1 . . . . . . . . 4999 1 1185 . 1 1 105 105 GLU CG C 13 36.1 0.2 . 1 . . . . . . . . 4999 1 1186 . 1 1 105 105 GLU N N 15 120.7 0.2 . 1 . . . . . . . . 4999 1 1187 . 1 1 106 106 SER H H 1 7.93 0.02 . 1 . . . . . . . . 4999 1 1188 . 1 1 106 106 SER HA H 1 4.42 0.05 . 1 . . . . . . . . 4999 1 1189 . 1 1 106 106 SER HB2 H 1 4.10 0.05 . 1 . . . . . . . . 4999 1 1190 . 1 1 106 106 SER HB3 H 1 4.10 0.05 . 1 . . . . . . . . 4999 1 1191 . 1 1 106 106 SER C C 13 175.3 0.2 . 1 . . . . . . . . 4999 1 1192 . 1 1 106 106 SER CA C 13 60.5 0.2 . 1 . . . . . . . . 4999 1 1193 . 1 1 106 106 SER CB C 13 63.6 0.2 . 1 . . . . . . . . 4999 1 1194 . 1 1 106 106 SER N N 15 113.9 0.2 . 1 . . . . . . . . 4999 1 1195 . 1 1 107 107 LEU H H 1 7.57 0.02 . 1 . . . . . . . . 4999 1 1196 . 1 1 107 107 LEU HA H 1 4.40 0.05 . 1 . . . . . . . . 4999 1 1197 . 1 1 107 107 LEU HB2 H 1 1.93 0.05 . 2 . . . . . . . . 4999 1 1198 . 1 1 107 107 LEU HB3 H 1 1.67 0.05 . 2 . . . . . . . . 4999 1 1199 . 1 1 107 107 LEU HG H 1 1.93 0.05 . 1 . . . . . . . . 4999 1 1200 . 1 1 107 107 LEU HD11 H 1 0.93 0.05 . 1 . . . . . . . . 4999 1 1201 . 1 1 107 107 LEU HD12 H 1 0.93 0.05 . 1 . . . . . . . . 4999 1 1202 . 1 1 107 107 LEU HD13 H 1 0.93 0.05 . 1 . . . . . . . . 4999 1 1203 . 1 1 107 107 LEU HD21 H 1 0.93 0.05 . 1 . . . . . . . . 4999 1 1204 . 1 1 107 107 LEU HD22 H 1 0.93 0.05 . 1 . . . . . . . . 4999 1 1205 . 1 1 107 107 LEU HD23 H 1 0.93 0.05 . 1 . . . . . . . . 4999 1 1206 . 1 1 107 107 LEU C C 13 178.1 0.2 . 1 . . . . . . . . 4999 1 1207 . 1 1 107 107 LEU CA C 13 56.1 0.2 . 1 . . . . . . . . 4999 1 1208 . 1 1 107 107 LEU CB C 13 42.8 0.2 . 1 . . . . . . . . 4999 1 1209 . 1 1 107 107 LEU CG C 13 26.4 0.2 . 1 . . . . . . . . 4999 1 1210 . 1 1 107 107 LEU CD1 C 13 25.9 0.2 . 2 . . . . . . . . 4999 1 1211 . 1 1 107 107 LEU CD2 C 13 23.1 0.2 . 2 . . . . . . . . 4999 1 1212 . 1 1 107 107 LEU N N 15 121.1 0.2 . 1 . . . . . . . . 4999 1 1213 . 1 1 108 108 THR H H 1 7.79 0.02 . 1 . . . . . . . . 4999 1 1214 . 1 1 108 108 THR HA H 1 4.46 0.05 . 1 . . . . . . . . 4999 1 1215 . 1 1 108 108 THR HB H 1 4.37 0.05 . 1 . . . . . . . . 4999 1 1216 . 1 1 108 108 THR HG21 H 1 1.26 0.05 . 1 . . . . . . . . 4999 1 1217 . 1 1 108 108 THR HG22 H 1 1.26 0.05 . 1 . . . . . . . . 4999 1 1218 . 1 1 108 108 THR HG23 H 1 1.26 0.05 . 1 . . . . . . . . 4999 1 1219 . 1 1 108 108 THR C C 13 173.7 0.2 . 1 . . . . . . . . 4999 1 1220 . 1 1 108 108 THR CA C 13 62.0 0.2 . 1 . . . . . . . . 4999 1 1221 . 1 1 108 108 THR CB C 13 70.2 0.2 . 1 . . . . . . . . 4999 1 1222 . 1 1 108 108 THR CG2 C 13 21.6 0.2 . 1 . . . . . . . . 4999 1 1223 . 1 1 108 108 THR N N 15 111.7 0.2 . 1 . . . . . . . . 4999 1 1224 . 1 1 109 109 ASN H H 1 7.93 0.02 . 1 . . . . . . . . 4999 1 1225 . 1 1 109 109 ASN HA H 1 4.56 0.05 . 1 . . . . . . . . 4999 1 1226 . 1 1 109 109 ASN HB2 H 1 2.81 0.05 . 2 . . . . . . . . 4999 1 1227 . 1 1 109 109 ASN HB3 H 1 2.75 0.05 . 2 . . . . . . . . 4999 1 1228 . 1 1 109 109 ASN HD21 H 1 7.56 0.02 . 2 . . . . . . . . 4999 1 1229 . 1 1 109 109 ASN HD22 H 1 6.84 0.02 . 2 . . . . . . . . 4999 1 1230 . 1 1 109 109 ASN C C 13 179.7 0.2 . 1 . . . . . . . . 4999 1 1231 . 1 1 109 109 ASN CA C 13 54.8 0.2 . 1 . . . . . . . . 4999 1 1232 . 1 1 109 109 ASN CB C 13 40.5 0.2 . 1 . . . . . . . . 4999 1 1233 . 1 1 109 109 ASN N N 15 126.7 0.2 . 1 . . . . . . . . 4999 1 1234 . 1 1 109 109 ASN ND2 N 15 113 0.2 . 1 . . . . . . . . 4999 1 stop_ save_