data_4748 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4748 _Entry.Title ; Three-Dimensional Solution Structure of Oryzacystatin-I, a Cysteine Proteinase Inhibitor of the Rice, Oryza sativa L. japonica ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-05-31 _Entry.Accession_date 2000-05-31 _Entry.Last_release_date 2001-02-15 _Entry.Original_release_date 2001-02-15 _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 K. Nagata . . . 4748 2 N. Kudo . . . 4748 3 K. Abe . . . 4748 4 S. Arai . . . 4748 5 M. Tanokura . . . 4748 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 4748 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 1243 4748 '15N chemical shifts' 100 4748 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 . . 2001-02-15 2000-05-31 original author . 4748 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4748 _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 ; Three-Dimensional Solution Structure of Oryzacystatin-I, a Cysteine Proteinase Inhibitor of the Rice, Oryza sativa L. japonica ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 39 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 14753 _Citation.Page_last 14760 _Citation.Year 2000 _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 Koji Nagata . . . 4748 1 2 Norio Kudo . . . 4748 1 3 Keiko Abe . . . 4748 1 4 Soichi Arai . . . 4748 1 5 Masaru Tanokura . . . 4748 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'alpha and beta proteins' 4748 1 'cystatin-like fold' 4748 1 'cystatin/monellin superfamily' 4748 1 'phytocystatin family' 4748 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_OC-I _Assembly.Sf_category assembly _Assembly.Sf_framecode system_OC-I _Assembly.Entry_ID 4748 _Assembly.ID 1 _Assembly.Name ORYZACYSTATIN-I _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 'not present' _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 4748 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 ORYZACYSTATIN-I 1 $OC-I . . . native . . . . . 4748 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID ORYZACYSTATIN-I system 4748 1 OC-I abbreviation 4748 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'cysteine proteinase inhibitor' 4748 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_OC-I _Entity.Sf_category entity _Entity.Sf_framecode OC-I _Entity.Entry_ID 4748 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ORYZACYSTATIN-I _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 ; MSSDGGPVLGGVEPVGNEND LHLVDLARFAVTEHNKKANS LLEFEKLVSVKQQVVAGTLY YFTIEVKEGDAKKLYEAKVW EKPWMDFKELQEFKPVDASA NA ; _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 102 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-29 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1EQK . "Solution Structure Of Oryzacystatin-I, A Cysteine Proteinase Inhibitor Of The Rice, Oryza Sativa L. Japonica" . . . . . 100.00 102 100.00 100.00 1.09e-66 . . . . 4748 1 2 no DBJ BAB86438 . "cystatin [Oryza sativa Japonica Group]" . . . . . 100.00 102 100.00 100.00 1.09e-66 . . . . 4748 1 3 no DBJ BAB92242 . "cystatin [Oryza sativa Japonica Group]" . . . . . 100.00 102 100.00 100.00 1.09e-66 . . . . 4748 1 4 no DBJ BAF06464 . "Os01g0803200 [Oryza sativa Japonica Group]" . . . . . 100.00 140 100.00 100.00 5.96e-67 . . . . 4748 1 5 no DBJ BAG88102 . "unnamed protein product [Oryza sativa Japonica Group]" . . . . . 100.00 140 100.00 100.00 5.96e-67 . . . . 4748 1 6 no GB AAA33903 . "oryzacystatin [Oryza sativa]" . . . . . 100.00 102 100.00 100.00 1.09e-66 . . . . 4748 1 7 no GB AAA33912 . "oryzastatin [Oryza sativa]" . . . . . 100.00 102 100.00 100.00 1.09e-66 . . . . 4748 1 8 no GB AAB24010 . "oryzacystatin [Oryza]" . . . . . 100.00 102 100.00 100.00 1.09e-66 . . . . 4748 1 9 no GB AAB24011 . "oryzacystatin=cysteine protease inhibitor [Oryza=rice, Peptide Recombinant, 90 aa]" . . . . . 77.45 90 100.00 100.00 1.63e-48 . . . . 4748 1 10 no GB AAB66355 . "oryzacystatin [Oryza sativa]" . . . . . 100.00 102 100.00 100.00 1.09e-66 . . . . 4748 1 11 no REF NP_001044550 . "Os01g0803200 [Oryza sativa Japonica Group]" . . . . . 100.00 140 100.00 100.00 5.96e-67 . . . . 4748 1 12 no SP P09229 . "RecName: Full=Cysteine proteinase inhibitor 1; AltName: Full=Oryzacystatin I; Short=OC-I; AltName: Full=Oryzacystatin-1; AltNam" . . . . . 100.00 140 100.00 100.00 5.96e-67 . . . . 4748 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID ORYZACYSTATIN-I common 4748 1 OC-I abbreviation 4748 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 . 4748 1 2 . SER . 4748 1 3 . SER . 4748 1 4 . ASP . 4748 1 5 . GLY . 4748 1 6 . GLY . 4748 1 7 . PRO . 4748 1 8 . VAL . 4748 1 9 . LEU . 4748 1 10 . GLY . 4748 1 11 . GLY . 4748 1 12 . VAL . 4748 1 13 . GLU . 4748 1 14 . PRO . 4748 1 15 . VAL . 4748 1 16 . GLY . 4748 1 17 . ASN . 4748 1 18 . GLU . 4748 1 19 . ASN . 4748 1 20 . ASP . 4748 1 21 . LEU . 4748 1 22 . HIS . 4748 1 23 . LEU . 4748 1 24 . VAL . 4748 1 25 . ASP . 4748 1 26 . LEU . 4748 1 27 . ALA . 4748 1 28 . ARG . 4748 1 29 . PHE . 4748 1 30 . ALA . 4748 1 31 . VAL . 4748 1 32 . THR . 4748 1 33 . GLU . 4748 1 34 . HIS . 4748 1 35 . ASN . 4748 1 36 . LYS . 4748 1 37 . LYS . 4748 1 38 . ALA . 4748 1 39 . ASN . 4748 1 40 . SER . 4748 1 41 . LEU . 4748 1 42 . LEU . 4748 1 43 . GLU . 4748 1 44 . PHE . 4748 1 45 . GLU . 4748 1 46 . LYS . 4748 1 47 . LEU . 4748 1 48 . VAL . 4748 1 49 . SER . 4748 1 50 . VAL . 4748 1 51 . LYS . 4748 1 52 . GLN . 4748 1 53 . GLN . 4748 1 54 . VAL . 4748 1 55 . VAL . 4748 1 56 . ALA . 4748 1 57 . GLY . 4748 1 58 . THR . 4748 1 59 . LEU . 4748 1 60 . TYR . 4748 1 61 . TYR . 4748 1 62 . PHE . 4748 1 63 . THR . 4748 1 64 . ILE . 4748 1 65 . GLU . 4748 1 66 . VAL . 4748 1 67 . LYS . 4748 1 68 . GLU . 4748 1 69 . GLY . 4748 1 70 . ASP . 4748 1 71 . ALA . 4748 1 72 . LYS . 4748 1 73 . LYS . 4748 1 74 . LEU . 4748 1 75 . TYR . 4748 1 76 . GLU . 4748 1 77 . ALA . 4748 1 78 . LYS . 4748 1 79 . VAL . 4748 1 80 . TRP . 4748 1 81 . GLU . 4748 1 82 . LYS . 4748 1 83 . PRO . 4748 1 84 . TRP . 4748 1 85 . MET . 4748 1 86 . ASP . 4748 1 87 . PHE . 4748 1 88 . LYS . 4748 1 89 . GLU . 4748 1 90 . LEU . 4748 1 91 . GLN . 4748 1 92 . GLU . 4748 1 93 . PHE . 4748 1 94 . LYS . 4748 1 95 . PRO . 4748 1 96 . VAL . 4748 1 97 . ASP . 4748 1 98 . ALA . 4748 1 99 . SER . 4748 1 100 . ALA . 4748 1 101 . ASN . 4748 1 102 . ALA . 4748 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 4748 1 . SER 2 2 4748 1 . SER 3 3 4748 1 . ASP 4 4 4748 1 . GLY 5 5 4748 1 . GLY 6 6 4748 1 . PRO 7 7 4748 1 . VAL 8 8 4748 1 . LEU 9 9 4748 1 . GLY 10 10 4748 1 . GLY 11 11 4748 1 . VAL 12 12 4748 1 . GLU 13 13 4748 1 . PRO 14 14 4748 1 . VAL 15 15 4748 1 . GLY 16 16 4748 1 . ASN 17 17 4748 1 . GLU 18 18 4748 1 . ASN 19 19 4748 1 . ASP 20 20 4748 1 . LEU 21 21 4748 1 . HIS 22 22 4748 1 . LEU 23 23 4748 1 . VAL 24 24 4748 1 . ASP 25 25 4748 1 . LEU 26 26 4748 1 . ALA 27 27 4748 1 . ARG 28 28 4748 1 . PHE 29 29 4748 1 . ALA 30 30 4748 1 . VAL 31 31 4748 1 . THR 32 32 4748 1 . GLU 33 33 4748 1 . HIS 34 34 4748 1 . ASN 35 35 4748 1 . LYS 36 36 4748 1 . LYS 37 37 4748 1 . ALA 38 38 4748 1 . ASN 39 39 4748 1 . SER 40 40 4748 1 . LEU 41 41 4748 1 . LEU 42 42 4748 1 . GLU 43 43 4748 1 . PHE 44 44 4748 1 . GLU 45 45 4748 1 . LYS 46 46 4748 1 . LEU 47 47 4748 1 . VAL 48 48 4748 1 . SER 49 49 4748 1 . VAL 50 50 4748 1 . LYS 51 51 4748 1 . GLN 52 52 4748 1 . GLN 53 53 4748 1 . VAL 54 54 4748 1 . VAL 55 55 4748 1 . ALA 56 56 4748 1 . GLY 57 57 4748 1 . THR 58 58 4748 1 . LEU 59 59 4748 1 . TYR 60 60 4748 1 . TYR 61 61 4748 1 . PHE 62 62 4748 1 . THR 63 63 4748 1 . ILE 64 64 4748 1 . GLU 65 65 4748 1 . VAL 66 66 4748 1 . LYS 67 67 4748 1 . GLU 68 68 4748 1 . GLY 69 69 4748 1 . ASP 70 70 4748 1 . ALA 71 71 4748 1 . LYS 72 72 4748 1 . LYS 73 73 4748 1 . LEU 74 74 4748 1 . TYR 75 75 4748 1 . GLU 76 76 4748 1 . ALA 77 77 4748 1 . LYS 78 78 4748 1 . VAL 79 79 4748 1 . TRP 80 80 4748 1 . GLU 81 81 4748 1 . LYS 82 82 4748 1 . PRO 83 83 4748 1 . TRP 84 84 4748 1 . MET 85 85 4748 1 . ASP 86 86 4748 1 . PHE 87 87 4748 1 . LYS 88 88 4748 1 . GLU 89 89 4748 1 . LEU 90 90 4748 1 . GLN 91 91 4748 1 . GLU 92 92 4748 1 . PHE 93 93 4748 1 . LYS 94 94 4748 1 . PRO 95 95 4748 1 . VAL 96 96 4748 1 . ASP 97 97 4748 1 . ALA 98 98 4748 1 . SER 99 99 4748 1 . ALA 100 100 4748 1 . ASN 101 101 4748 1 . ALA 102 102 4748 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 4748 _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 $OC-I . 39947 . . 'Oryza sativa' 'JAPANESE RICE' . . Eukaryota Viridiplantae Oryza sativa . . . . . . . . . . . . . . . . . . . . . 4748 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 4748 _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 $OC-I . 'recombinant technology' 'Escherichia coli' Bacteria . . Escherichia coli 'BL21(DE3) (Novagen)' . . . . . . . . . . . . . . . 'Plasmid pET-26B(+)' . . . . . . 4748 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4748 _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 ORYZACYSTATIN-I . . . 1 $OC-I . . 3 . . mM . . . . 4748 1 2 'sodium phosphate' . . . . . . . 50 . . mM . . . . 4748 1 3 NaCl . . . . . . . 100 . . mM . . . . 4748 1 4 NaN3 . . . . . . . 0.02 . . % . . . . 4748 1 5 D2O . . . . . . . 10 . . % . . . . 4748 1 6 H2O . . . . . . . 90 . . % . . . . 4748 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 4748 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 ORYZACYSTATIN-I '[U-99% 15N]' . . 1 $OC-I . . 2 . . mM . . . . 4748 2 2 'sodium phosphate' . . . . . . . 50 . . mM . . . . 4748 2 3 NaCl . . . . . . . 100 . . mM . . . . 4748 2 4 NaN3 . . . . . . . 0.02 . . % . . . . 4748 2 5 D2O . . . . . . . 10 . . % . . . . 4748 2 6 H2O . . . . . . . 90 . . % . . . . 4748 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 4748 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.8 0.05 n/a 4748 1 temperature 298 0.5 K 4748 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 4748 _Software.ID 1 _Software.Name VNMR _Software.Version 5.3B _Software.Details Varian loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 4748 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 4748 _Software.ID 2 _Software.Name NMRPipe _Software.Version 1.6 _Software.Details 'Delaglio, F. et al.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 4748 2 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 4748 _Software.ID 3 _Software.Name NMRDraw _Software.Version 1.6 _Software.Details 'Delaglio, F. et al.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 4748 3 stop_ save_ save_FELIX _Software.Sf_category software _Software.Sf_framecode FELIX _Software.Entry_ID 4748 _Software.ID 4 _Software.Name FELIX _Software.Version 95 _Software.Details 'Molecular Simulations' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 4748 4 stop_ save_ save_PIPP_CAPP _Software.Sf_category software _Software.Sf_framecode PIPP_CAPP _Software.Entry_ID 4748 _Software.ID 5 _Software.Name PIPP_CAPP _Software.Version 4.0 _Software.Details 'Garrett, D. et al.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 4748 5 stop_ save_ save_DYANA _Software.Sf_category software _Software.Sf_framecode DYANA _Software.Entry_ID 4748 _Software.ID 6 _Software.Name DYANA _Software.Version 1.4 _Software.Details 'Guentert, P. et al.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 4748 6 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 4748 _Software.ID 7 _Software.Name CNS _Software.Version 0.9 _Software.Details ; Brunger, ADAMS, CLORE, DELANO, GROS, GROSSE-KUNSTLEVE, JIANG, KUSZEWSKI, NILGES, PANNU, READ, RICE, SIMONSON, WARREN ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 4748 7 stop_ save_ save_AQUA _Software.Sf_category software _Software.Sf_framecode AQUA _Software.Entry_ID 4748 _Software.ID 8 _Software.Name AQUA _Software.Version 2.0 _Software.Details 'Rullmann, J.A.C. et al.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 4748 8 stop_ save_ save_PROCHECK-NMR _Software.Sf_category software _Software.Sf_framecode PROCHECK-NMR _Software.Entry_ID 4748 _Software.ID 9 _Software.Name PROCHECK-NMR _Software.Version 3.4 _Software.Details 'Laskowski, R.A. et al.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 4748 9 stop_ save_ save_MOLMOL _Software.Sf_category software _Software.Sf_framecode MOLMOL _Software.Entry_ID 4748 _Software.ID 10 _Software.Name MOLMOL _Software.Version 2.6 _Software.Details 'Koradi, R. et al.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 4748 10 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 4748 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4748 _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 . 500 . . . 4748 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 4748 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H DQF-COSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4748 1 2 '2D 1H-1H HOHAHA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4748 1 3 '2D 1H-1H NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4748 1 4 '2D 1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4748 1 5 '3D 1H-1H-15N NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4748 1 6 '3D 1H-1H-15N TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4748 1 7 '3D HNHA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4748 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 4748 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D 1H-1H DQF-COSY' _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 4748 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D 1H-1H HOHAHA' _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 4748 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '2D 1H-1H NOESY' _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 4748 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '2D 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_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4748 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D 1H-1H-15N NOESY' _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 4748 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D 1H-1H-15N 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_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 4748 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '3D HNHA' _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 4748 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct . . . . . . . . . . 4748 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4748 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 4748 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_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 . 4748 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 8 8 VAL HA H 1 4.115 0.007 . 1 . . . . . . . . 4748 1 2 . 1 1 8 8 VAL HB H 1 1.683 0.007 . 1 . . . . . . . . 4748 1 3 . 1 1 8 8 VAL HG11 H 1 1.027 0.007 . 1 . . . . . . . . 4748 1 4 . 1 1 8 8 VAL HG12 H 1 1.027 0.007 . 1 . . . . . . . . 4748 1 5 . 1 1 8 8 VAL HG13 H 1 1.027 0.007 . 1 . . . . . . . . 4748 1 6 . 1 1 8 8 VAL HG21 H 1 1.027 0.007 . 1 . . . . . . . . 4748 1 7 . 1 1 8 8 VAL HG22 H 1 1.027 0.007 . 1 . . . . . . . . 4748 1 8 . 1 1 8 8 VAL HG23 H 1 1.027 0.007 . 1 . . . . . . . . 4748 1 9 . 1 1 9 9 LEU HA H 1 4.430 0.007 . 1 . . . . . . . . 4748 1 10 . 1 1 9 9 LEU HB2 H 1 1.699 0.007 . 1 . . . . . . . . 4748 1 11 . 1 1 9 9 LEU HB3 H 1 1.628 0.007 . 4 . . . . . . . . 4748 1 12 . 1 1 9 9 LEU HG H 1 1.628 0.007 . 4 . . . . . . . . 4748 1 13 . 1 1 9 9 LEU HD11 H 1 0.866 0.007 . 1 . . . . . . . . 4748 1 14 . 1 1 9 9 LEU HD12 H 1 0.866 0.007 . 1 . . . . . . . . 4748 1 15 . 1 1 9 9 LEU HD13 H 1 0.866 0.007 . 1 . . . . . . . . 4748 1 16 . 1 1 9 9 LEU HD21 H 1 0.866 0.007 . 1 . . . . . . . . 4748 1 17 . 1 1 9 9 LEU HD22 H 1 0.866 0.007 . 1 . . . . . . . . 4748 1 18 . 1 1 9 9 LEU HD23 H 1 0.866 0.007 . 1 . . . . . . . . 4748 1 19 . 1 1 10 10 GLY HA3 H 1 4.004 0.007 . 1 . . . . . . . . 4748 1 20 . 1 1 10 10 GLY HA2 H 1 4.004 0.007 . 1 . . . . . . . . 4748 1 21 . 1 1 11 11 GLY HA3 H 1 4.057 0.007 . 1 . . . . . . . . 4748 1 22 . 1 1 11 11 GLY HA2 H 1 3.970 0.007 . 1 . . . . . . . . 4748 1 23 . 1 1 12 12 VAL HA H 1 4.223 0.007 . 1 . . . . . . . . 4748 1 24 . 1 1 12 12 VAL HB H 1 2.056 0.007 . 1 . . . . . . . . 4748 1 25 . 1 1 12 12 VAL HG11 H 1 0.870 0.007 . 1 . . . . . . . . 4748 1 26 . 1 1 12 12 VAL HG12 H 1 0.870 0.007 . 1 . . . . . . . . 4748 1 27 . 1 1 12 12 VAL HG13 H 1 0.870 0.007 . 1 . . . . . . . . 4748 1 28 . 1 1 12 12 VAL HG21 H 1 0.870 0.007 . 1 . . . . . . . . 4748 1 29 . 1 1 12 12 VAL HG22 H 1 0.870 0.007 . 1 . . . . . . . . 4748 1 30 . 1 1 12 12 VAL HG23 H 1 0.870 0.007 . 1 . . . . . . . . 4748 1 31 . 1 1 13 13 GLU HB2 H 1 2.077 0.007 . 1 . . . . . . . . 4748 1 32 . 1 1 13 13 GLU HB3 H 1 1.951 0.007 . 1 . . . . . . . . 4748 1 33 . 1 1 13 13 GLU HG2 H 1 2.352 0.007 . 1 . . . . . . . . 4748 1 34 . 1 1 13 13 GLU HG3 H 1 2.352 0.007 . 1 . . . . . . . . 4748 1 35 . 1 1 14 14 PRO HB2 H 1 2.323 0.007 . 1 . . . . . . . . 4748 1 36 . 1 1 14 14 PRO HB3 H 1 2.323 0.007 . 1 . . . . . . . . 4748 1 37 . 1 1 14 14 PRO HG2 H 1 1.987 0.007 . 1 . . . . . . . . 4748 1 38 . 1 1 14 14 PRO HG3 H 1 1.987 0.007 . 1 . . . . . . . . 4748 1 39 . 1 1 14 14 PRO HD2 H 1 3.880 0.007 . 1 . . . . . . . . 4748 1 40 . 1 1 14 14 PRO HD3 H 1 3.796 0.007 . 1 . . . . . . . . 4748 1 41 . 1 1 15 15 VAL HA H 1 4.276 0.007 . 1 . . . . . . . . 4748 1 42 . 1 1 15 15 VAL HB H 1 2.157 0.007 . 1 . . . . . . . . 4748 1 43 . 1 1 15 15 VAL HG11 H 1 1.029 0.007 . 1 . . . . . . . . 4748 1 44 . 1 1 15 15 VAL HG12 H 1 1.029 0.007 . 1 . . . . . . . . 4748 1 45 . 1 1 15 15 VAL HG13 H 1 1.029 0.007 . 1 . . . . . . . . 4748 1 46 . 1 1 15 15 VAL HG21 H 1 1.029 0.007 . 1 . . . . . . . . 4748 1 47 . 1 1 15 15 VAL HG22 H 1 1.029 0.007 . 1 . . . . . . . . 4748 1 48 . 1 1 15 15 VAL HG23 H 1 1.029 0.007 . 1 . . . . . . . . 4748 1 49 . 1 1 16 16 GLY HA3 H 1 4.107 0.007 . 1 . . . . . . . . 4748 1 50 . 1 1 16 16 GLY HA2 H 1 3.996 0.007 . 1 . . . . . . . . 4748 1 51 . 1 1 17 17 ASN HB2 H 1 2.935 0.007 . 1 . . . . . . . . 4748 1 52 . 1 1 17 17 ASN HB3 H 1 2.935 0.007 . 1 . . . . . . . . 4748 1 53 . 1 1 17 17 ASN HD21 H 1 7.734 0.007 . 1 . . . . . . . . 4748 1 54 . 1 1 17 17 ASN HD22 H 1 7.003 0.007 . 1 . . . . . . . . 4748 1 55 . 1 1 18 18 GLU HA H 1 4.112 0.007 . 1 . . . . . . . . 4748 1 56 . 1 1 18 18 GLU HB2 H 1 2.022 0.007 . 1 . . . . . . . . 4748 1 57 . 1 1 18 18 GLU HB3 H 1 2.022 0.007 . 1 . . . . . . . . 4748 1 58 . 1 1 18 18 GLU HG2 H 1 2.346 0.007 . 1 . . . . . . . . 4748 1 59 . 1 1 18 18 GLU HG3 H 1 2.279 0.007 . 1 . . . . . . . . 4748 1 60 . 1 1 19 19 ASN HB2 H 1 2.891 0.007 . 1 . . . . . . . . 4748 1 61 . 1 1 19 19 ASN HB3 H 1 2.777 0.007 . 1 . . . . . . . . 4748 1 62 . 1 1 19 19 ASN HD21 H 1 7.684 0.007 . 1 . . . . . . . . 4748 1 63 . 1 1 19 19 ASN HD22 H 1 6.995 0.007 . 1 . . . . . . . . 4748 1 64 . 1 1 20 20 ASP HA H 1 4.508 0.007 . 1 . . . . . . . . 4748 1 65 . 1 1 20 20 ASP HB2 H 1 2.920 0.007 . 1 . . . . . . . . 4748 1 66 . 1 1 20 20 ASP HB3 H 1 2.787 0.007 . 1 . . . . . . . . 4748 1 67 . 1 1 21 21 LEU HA H 1 4.011 0.007 . 1 . . . . . . . . 4748 1 68 . 1 1 21 21 LEU HB2 H 1 1.657 0.007 . 4 . . . . . . . . 4748 1 69 . 1 1 21 21 LEU HB3 H 1 1.809 0.007 . 1 . . . . . . . . 4748 1 70 . 1 1 21 21 LEU HG H 1 1.657 0.007 . 4 . . . . . . . . 4748 1 71 . 1 1 21 21 LEU HD11 H 1 0.926 0.007 . 1 . . . . . . . . 4748 1 72 . 1 1 21 21 LEU HD12 H 1 0.926 0.007 . 1 . . . . . . . . 4748 1 73 . 1 1 21 21 LEU HD13 H 1 0.926 0.007 . 1 . . . . . . . . 4748 1 74 . 1 1 21 21 LEU HD21 H 1 0.926 0.007 . 1 . . . . . . . . 4748 1 75 . 1 1 21 21 LEU HD22 H 1 0.926 0.007 . 1 . . . . . . . . 4748 1 76 . 1 1 21 21 LEU HD23 H 1 0.926 0.007 . 1 . . . . . . . . 4748 1 77 . 1 1 22 22 HIS HA H 1 4.500 0.007 . 1 . . . . . . . . 4748 1 78 . 1 1 22 22 HIS HB2 H 1 3.321 0.007 . 1 . . . . . . . . 4748 1 79 . 1 1 22 22 HIS HB3 H 1 3.407 0.007 . 1 . . . . . . . . 4748 1 80 . 1 1 22 22 HIS HD2 H 1 7.154 0.007 . 1 . . . . . . . . 4748 1 81 . 1 1 22 22 HIS HE1 H 1 8.476 0.007 . 1 . . . . . . . . 4748 1 82 . 1 1 23 23 LEU HA H 1 3.689 0.007 . 1 . . . . . . . . 4748 1 83 . 1 1 23 23 LEU HB2 H 1 2.001 0.007 . 1 . . . . . . . . 4748 1 84 . 1 1 23 23 LEU HB3 H 1 1.241 0.007 . 1 . . . . . . . . 4748 1 85 . 1 1 23 23 LEU HG H 1 1.877 0.007 . 1 . . . . . . . . 4748 1 86 . 1 1 23 23 LEU HD11 H 1 1.150 0.007 . 2 . . . . . . . . 4748 1 87 . 1 1 23 23 LEU HD12 H 1 1.150 0.007 . 2 . . . . . . . . 4748 1 88 . 1 1 23 23 LEU HD13 H 1 1.150 0.007 . 2 . . . . . . . . 4748 1 89 . 1 1 23 23 LEU HD21 H 1 0.770 0.007 . 2 . . . . . . . . 4748 1 90 . 1 1 23 23 LEU HD22 H 1 0.770 0.007 . 2 . . . . . . . . 4748 1 91 . 1 1 23 23 LEU HD23 H 1 0.770 0.007 . 2 . . . . . . . . 4748 1 92 . 1 1 24 24 VAL HA H 1 3.248 0.007 . 1 . . . . . . . . 4748 1 93 . 1 1 24 24 VAL HB H 1 2.039 0.007 . 1 . . . . . . . . 4748 1 94 . 1 1 24 24 VAL HG11 H 1 0.890 0.007 . 2 . . . . . . . . 4748 1 95 . 1 1 24 24 VAL HG12 H 1 0.890 0.007 . 2 . . . . . . . . 4748 1 96 . 1 1 24 24 VAL HG13 H 1 0.890 0.007 . 2 . . . . . . . . 4748 1 97 . 1 1 24 24 VAL HG21 H 1 1.086 0.007 . 2 . . . . . . . . 4748 1 98 . 1 1 24 24 VAL HG22 H 1 1.086 0.007 . 2 . . . . . . . . 4748 1 99 . 1 1 24 24 VAL HG23 H 1 1.086 0.007 . 2 . . . . . . . . 4748 1 100 . 1 1 25 25 ASP HA H 1 4.212 0.007 . 1 . . . . . . . . 4748 1 101 . 1 1 25 25 ASP HB2 H 1 2.526 0.007 . 1 . . . . . . . . 4748 1 102 . 1 1 25 25 ASP HB3 H 1 2.802 0.007 . 1 . . . . . . . . 4748 1 103 . 1 1 26 26 LEU HA H 1 3.999 0.007 . 1 . . . . . . . . 4748 1 104 . 1 1 26 26 LEU HB2 H 1 1.925 0.007 . 1 . . . . . . . . 4748 1 105 . 1 1 26 26 LEU HB3 H 1 1.925 0.007 . 1 . . . . . . . . 4748 1 106 . 1 1 26 26 LEU HG H 1 1.179 0.007 . 1 . . . . . . . . 4748 1 107 . 1 1 26 26 LEU HD11 H 1 0.474 0.007 . 2 . . . . . . . . 4748 1 108 . 1 1 26 26 LEU HD12 H 1 0.474 0.007 . 2 . . . . . . . . 4748 1 109 . 1 1 26 26 LEU HD13 H 1 0.474 0.007 . 2 . . . . . . . . 4748 1 110 . 1 1 26 26 LEU HD21 H 1 0.374 0.007 . 2 . . . . . . . . 4748 1 111 . 1 1 26 26 LEU HD22 H 1 0.374 0.007 . 2 . . . . . . . . 4748 1 112 . 1 1 26 26 LEU HD23 H 1 0.374 0.007 . 2 . . . . . . . . 4748 1 113 . 1 1 27 27 ALA HA H 1 3.662 0.007 . 1 . . . . . . . . 4748 1 114 . 1 1 27 27 ALA HB1 H 1 0.983 0.007 . 1 . . . . . . . . 4748 1 115 . 1 1 27 27 ALA HB2 H 1 0.983 0.007 . 1 . . . . . . . . 4748 1 116 . 1 1 27 27 ALA HB3 H 1 0.983 0.007 . 1 . . . . . . . . 4748 1 117 . 1 1 28 28 ARG HA H 1 3.420 0.007 . 1 . . . . . . . . 4748 1 118 . 1 1 28 28 ARG HB2 H 1 1.488 0.007 . 1 . . . . . . . . 4748 1 119 . 1 1 28 28 ARG HB3 H 1 1.563 0.007 . 1 . . . . . . . . 4748 1 120 . 1 1 28 28 ARG HG2 H 1 0.875 0.007 . 1 . . . . . . . . 4748 1 121 . 1 1 28 28 ARG HG3 H 1 0.580 0.007 . 1 . . . . . . . . 4748 1 122 . 1 1 28 28 ARG HD2 H 1 2.945 0.007 . 1 . . . . . . . . 4748 1 123 . 1 1 28 28 ARG HD3 H 1 2.945 0.007 . 1 . . . . . . . . 4748 1 124 . 1 1 29 29 PHE HA H 1 4.267 0.007 . 1 . . . . . . . . 4748 1 125 . 1 1 29 29 PHE HB2 H 1 3.226 0.007 . 1 . . . . . . . . 4748 1 126 . 1 1 29 29 PHE HB3 H 1 3.477 0.007 . 1 . . . . . . . . 4748 1 127 . 1 1 29 29 PHE HD1 H 1 7.238 0.007 . 1 . . . . . . . . 4748 1 128 . 1 1 29 29 PHE HD2 H 1 7.238 0.007 . 1 . . . . . . . . 4748 1 129 . 1 1 29 29 PHE HE1 H 1 7.049 0.007 . 1 . . . . . . . . 4748 1 130 . 1 1 29 29 PHE HE2 H 1 7.049 0.007 . 1 . . . . . . . . 4748 1 131 . 1 1 30 30 ALA HA H 1 3.558 0.007 . 1 . . . . . . . . 4748 1 132 . 1 1 30 30 ALA HB1 H 1 1.632 0.007 . 1 . . . . . . . . 4748 1 133 . 1 1 30 30 ALA HB2 H 1 1.632 0.007 . 1 . . . . . . . . 4748 1 134 . 1 1 30 30 ALA HB3 H 1 1.632 0.007 . 1 . . . . . . . . 4748 1 135 . 1 1 31 31 VAL H H 1 7.383 0.007 . 1 . . . . . . . . 4748 1 136 . 1 1 31 31 VAL HA H 1 3.083 0.007 . 1 . . . . . . . . 4748 1 137 . 1 1 31 31 VAL HB H 1 2.255 0.007 . 1 . . . . . . . . 4748 1 138 . 1 1 31 31 VAL HG11 H 1 0.799 0.007 . 2 . . . . . . . . 4748 1 139 . 1 1 31 31 VAL HG12 H 1 0.799 0.007 . 2 . . . . . . . . 4748 1 140 . 1 1 31 31 VAL HG13 H 1 0.799 0.007 . 2 . . . . . . . . 4748 1 141 . 1 1 31 31 VAL HG21 H 1 1.262 0.007 . 2 . . . . . . . . 4748 1 142 . 1 1 31 31 VAL HG22 H 1 1.262 0.007 . 2 . . . . . . . . 4748 1 143 . 1 1 31 31 VAL HG23 H 1 1.262 0.007 . 2 . . . . . . . . 4748 1 144 . 1 1 32 32 THR HA H 1 3.816 0.007 . 1 . . . . . . . . 4748 1 145 . 1 1 32 32 THR HB H 1 4.198 0.007 . 1 . . . . . . . . 4748 1 146 . 1 1 32 32 THR HG21 H 1 1.246 0.007 . 1 . . . . . . . . 4748 1 147 . 1 1 32 32 THR HG22 H 1 1.246 0.007 . 1 . . . . . . . . 4748 1 148 . 1 1 32 32 THR HG23 H 1 1.246 0.007 . 1 . . . . . . . . 4748 1 149 . 1 1 33 33 GLU HA H 1 3.830 0.007 . 1 . . . . . . . . 4748 1 150 . 1 1 33 33 GLU HB2 H 1 1.508 0.007 . 1 . . . . . . . . 4748 1 151 . 1 1 33 33 GLU HB3 H 1 1.434 0.007 . 1 . . . . . . . . 4748 1 152 . 1 1 33 33 GLU HG2 H 1 1.665 0.007 . 1 . . . . . . . . 4748 1 153 . 1 1 33 33 GLU HG3 H 1 1.614 0.007 . 1 . . . . . . . . 4748 1 154 . 1 1 34 34 HIS HA H 1 3.805 0.007 . 1 . . . . . . . . 4748 1 155 . 1 1 34 34 HIS HB2 H 1 1.806 0.007 . 1 . . . . . . . . 4748 1 156 . 1 1 34 34 HIS HB3 H 1 2.186 0.007 . 1 . . . . . . . . 4748 1 157 . 1 1 34 34 HIS HD2 H 1 6.291 0.007 . 1 . . . . . . . . 4748 1 158 . 1 1 34 34 HIS HE1 H 1 8.000 0.007 . 1 . . . . . . . . 4748 1 159 . 1 1 35 35 ASN HA H 1 4.288 0.007 . 1 . . . . . . . . 4748 1 160 . 1 1 35 35 ASN HB2 H 1 2.860 0.007 . 1 . . . . . . . . 4748 1 161 . 1 1 35 35 ASN HB3 H 1 2.860 0.007 . 1 . . . . . . . . 4748 1 162 . 1 1 35 35 ASN HD21 H 1 8.079 0.007 . 1 . . . . . . . . 4748 1 163 . 1 1 35 35 ASN HD22 H 1 7.470 0.007 . 1 . . . . . . . . 4748 1 164 . 1 1 36 36 LYS HA H 1 4.041 0.007 . 1 . . . . . . . . 4748 1 165 . 1 1 36 36 LYS HB2 H 1 1.868 0.007 . 1 . . . . . . . . 4748 1 166 . 1 1 36 36 LYS HB3 H 1 1.868 0.007 . 1 . . . . . . . . 4748 1 167 . 1 1 36 36 LYS HG2 H 1 1.392 0.007 . 1 . . . . . . . . 4748 1 168 . 1 1 36 36 LYS HG3 H 1 1.392 0.007 . 1 . . . . . . . . 4748 1 169 . 1 1 36 36 LYS HD2 H 1 1.600 0.007 . 1 . . . . . . . . 4748 1 170 . 1 1 36 36 LYS HD3 H 1 1.600 0.007 . 1 . . . . . . . . 4748 1 171 . 1 1 37 37 LYS HA H 1 4.113 0.007 . 1 . . . . . . . . 4748 1 172 . 1 1 37 37 LYS HB2 H 1 1.783 0.007 . 1 . . . . . . . . 4748 1 173 . 1 1 37 37 LYS HB3 H 1 1.783 0.007 . 1 . . . . . . . . 4748 1 174 . 1 1 37 37 LYS HG2 H 1 1.444 0.007 . 1 . . . . . . . . 4748 1 175 . 1 1 37 37 LYS HG3 H 1 1.444 0.007 . 1 . . . . . . . . 4748 1 176 . 1 1 37 37 LYS HD2 H 1 1.532 0.007 . 1 . . . . . . . . 4748 1 177 . 1 1 37 37 LYS HD3 H 1 1.532 0.007 . 1 . . . . . . . . 4748 1 178 . 1 1 38 38 ALA HA H 1 4.289 0.007 . 1 . . . . . . . . 4748 1 179 . 1 1 38 38 ALA HB1 H 1 0.933 0.007 . 1 . . . . . . . . 4748 1 180 . 1 1 38 38 ALA HB2 H 1 0.933 0.007 . 1 . . . . . . . . 4748 1 181 . 1 1 38 38 ALA HB3 H 1 0.933 0.007 . 1 . . . . . . . . 4748 1 182 . 1 1 39 39 ASN HA H 1 4.500 0.007 . 1 . . . . . . . . 4748 1 183 . 1 1 39 39 ASN HB2 H 1 3.082 0.007 . 1 . . . . . . . . 4748 1 184 . 1 1 39 39 ASN HB3 H 1 2.792 0.007 . 1 . . . . . . . . 4748 1 185 . 1 1 39 39 ASN HD21 H 1 7.523 0.007 . 1 . . . . . . . . 4748 1 186 . 1 1 39 39 ASN HD22 H 1 6.815 0.007 . 1 . . . . . . . . 4748 1 187 . 1 1 40 40 SER HB2 H 1 3.644 0.007 . 1 . . . . . . . . 4748 1 188 . 1 1 40 40 SER HB3 H 1 3.969 0.007 . 1 . . . . . . . . 4748 1 189 . 1 1 41 41 LEU HA H 1 4.542 0.007 . 1 . . . . . . . . 4748 1 190 . 1 1 41 41 LEU HB2 H 1 1.438 0.007 . 1 . . . . . . . . 4748 1 191 . 1 1 41 41 LEU HB3 H 1 1.438 0.007 . 1 . . . . . . . . 4748 1 192 . 1 1 41 41 LEU HG H 1 1.786 0.007 . 1 . . . . . . . . 4748 1 193 . 1 1 41 41 LEU HD11 H 1 0.828 0.007 . 2 . . . . . . . . 4748 1 194 . 1 1 41 41 LEU HD12 H 1 0.828 0.007 . 2 . . . . . . . . 4748 1 195 . 1 1 41 41 LEU HD13 H 1 0.828 0.007 . 2 . . . . . . . . 4748 1 196 . 1 1 41 41 LEU HD21 H 1 0.627 0.007 . 2 . . . . . . . . 4748 1 197 . 1 1 41 41 LEU HD22 H 1 0.627 0.007 . 2 . . . . . . . . 4748 1 198 . 1 1 41 41 LEU HD23 H 1 0.627 0.007 . 2 . . . . . . . . 4748 1 199 . 1 1 42 42 LEU HA H 1 4.530 0.007 . 1 . . . . . . . . 4748 1 200 . 1 1 42 42 LEU HB2 H 1 1.860 0.007 . 1 . . . . . . . . 4748 1 201 . 1 1 42 42 LEU HB3 H 1 1.860 0.007 . 1 . . . . . . . . 4748 1 202 . 1 1 42 42 LEU HG H 1 1.693 0.007 . 1 . . . . . . . . 4748 1 203 . 1 1 42 42 LEU HD11 H 1 1.035 0.007 . 1 . . . . . . . . 4748 1 204 . 1 1 42 42 LEU HD12 H 1 1.035 0.007 . 1 . . . . . . . . 4748 1 205 . 1 1 42 42 LEU HD13 H 1 1.035 0.007 . 1 . . . . . . . . 4748 1 206 . 1 1 42 42 LEU HD21 H 1 1.035 0.007 . 1 . . . . . . . . 4748 1 207 . 1 1 42 42 LEU HD22 H 1 1.035 0.007 . 1 . . . . . . . . 4748 1 208 . 1 1 42 42 LEU HD23 H 1 1.035 0.007 . 1 . . . . . . . . 4748 1 209 . 1 1 43 43 GLU HB2 H 1 2.159 0.007 . 1 . . . . . . . . 4748 1 210 . 1 1 43 43 GLU HB3 H 1 2.021 0.007 . 1 . . . . . . . . 4748 1 211 . 1 1 43 43 GLU HG2 H 1 2.327 0.007 . 1 . . . . . . . . 4748 1 212 . 1 1 43 43 GLU HG3 H 1 2.225 0.007 . 1 . . . . . . . . 4748 1 213 . 1 1 44 44 PHE HA H 1 3.899 0.007 . 1 . . . . . . . . 4748 1 214 . 1 1 44 44 PHE HB2 H 1 3.008 0.007 . 1 . . . . . . . . 4748 1 215 . 1 1 44 44 PHE HB3 H 1 3.008 0.007 . 1 . . . . . . . . 4748 1 216 . 1 1 44 44 PHE HD1 H 1 6.960 0.007 . 1 . . . . . . . . 4748 1 217 . 1 1 44 44 PHE HD2 H 1 6.960 0.007 . 1 . . . . . . . . 4748 1 218 . 1 1 44 44 PHE HE1 H 1 7.019 0.007 . 1 . . . . . . . . 4748 1 219 . 1 1 44 44 PHE HE2 H 1 7.019 0.007 . 1 . . . . . . . . 4748 1 220 . 1 1 44 44 PHE HZ H 1 7.206 0.007 . 1 . . . . . . . . 4748 1 221 . 1 1 45 45 GLU HA H 1 4.530 0.007 . 1 . . . . . . . . 4748 1 222 . 1 1 45 45 GLU HB2 H 1 1.693 0.007 . 1 . . . . . . . . 4748 1 223 . 1 1 45 45 GLU HB3 H 1 1.602 0.007 . 1 . . . . . . . . 4748 1 224 . 1 1 45 45 GLU HG2 H 1 2.140 0.007 . 1 . . . . . . . . 4748 1 225 . 1 1 45 45 GLU HG3 H 1 1.902 0.007 . 1 . . . . . . . . 4748 1 226 . 1 1 46 46 LYS H H 1 7.377 0.007 . 1 . . . . . . . . 4748 1 227 . 1 1 46 46 LYS HA H 1 4.175 0.007 . 1 . . . . . . . . 4748 1 228 . 1 1 46 46 LYS HB2 H 1 1.141 0.007 . 1 . . . . . . . . 4748 1 229 . 1 1 46 46 LYS HB3 H 1 1.141 0.007 . 1 . . . . . . . . 4748 1 230 . 1 1 46 46 LYS HG2 H 1 1.605 0.007 . 1 . . . . . . . . 4748 1 231 . 1 1 46 46 LYS HG3 H 1 1.605 0.007 . 1 . . . . . . . . 4748 1 232 . 1 1 46 46 LYS HD2 H 1 1.720 0.007 . 1 . . . . . . . . 4748 1 233 . 1 1 46 46 LYS HD3 H 1 1.720 0.007 . 1 . . . . . . . . 4748 1 234 . 1 1 47 47 LEU HA H 1 4.591 0.007 . 1 . . . . . . . . 4748 1 235 . 1 1 47 47 LEU HB2 H 1 2.154 0.007 . 1 . . . . . . . . 4748 1 236 . 1 1 47 47 LEU HB3 H 1 2.154 0.007 . 1 . . . . . . . . 4748 1 237 . 1 1 47 47 LEU HG H 1 1.194 0.007 . 1 . . . . . . . . 4748 1 238 . 1 1 47 47 LEU HD11 H 1 0.874 0.007 . 2 . . . . . . . . 4748 1 239 . 1 1 47 47 LEU HD12 H 1 0.874 0.007 . 2 . . . . . . . . 4748 1 240 . 1 1 47 47 LEU HD13 H 1 0.874 0.007 . 2 . . . . . . . . 4748 1 241 . 1 1 47 47 LEU HD21 H 1 0.684 0.007 . 2 . . . . . . . . 4748 1 242 . 1 1 47 47 LEU HD22 H 1 0.684 0.007 . 2 . . . . . . . . 4748 1 243 . 1 1 47 47 LEU HD23 H 1 0.684 0.007 . 2 . . . . . . . . 4748 1 244 . 1 1 48 48 VAL HA H 1 3.947 0.007 . 1 . . . . . . . . 4748 1 245 . 1 1 48 48 VAL HB H 1 1.861 0.007 . 1 . . . . . . . . 4748 1 246 . 1 1 48 48 VAL HG11 H 1 0.937 0.007 . 2 . . . . . . . . 4748 1 247 . 1 1 48 48 VAL HG12 H 1 0.937 0.007 . 2 . . . . . . . . 4748 1 248 . 1 1 48 48 VAL HG13 H 1 0.937 0.007 . 2 . . . . . . . . 4748 1 249 . 1 1 48 48 VAL HG21 H 1 0.880 0.007 . 2 . . . . . . . . 4748 1 250 . 1 1 48 48 VAL HG22 H 1 0.880 0.007 . 2 . . . . . . . . 4748 1 251 . 1 1 48 48 VAL HG23 H 1 0.880 0.007 . 2 . . . . . . . . 4748 1 252 . 1 1 49 49 SER HB2 H 1 3.860 0.007 . 1 . . . . . . . . 4748 1 253 . 1 1 49 49 SER HB3 H 1 3.954 0.007 . 1 . . . . . . . . 4748 1 254 . 1 1 50 50 VAL HA H 1 5.302 0.007 . 1 . . . . . . . . 4748 1 255 . 1 1 50 50 VAL HB H 1 2.294 0.007 . 1 . . . . . . . . 4748 1 256 . 1 1 50 50 VAL HG11 H 1 1.194 0.007 . 1 . . . . . . . . 4748 1 257 . 1 1 50 50 VAL HG12 H 1 1.194 0.007 . 1 . . . . . . . . 4748 1 258 . 1 1 50 50 VAL HG13 H 1 1.194 0.007 . 1 . . . . . . . . 4748 1 259 . 1 1 50 50 VAL HG21 H 1 1.194 0.007 . 1 . . . . . . . . 4748 1 260 . 1 1 50 50 VAL HG22 H 1 1.194 0.007 . 1 . . . . . . . . 4748 1 261 . 1 1 50 50 VAL HG23 H 1 1.194 0.007 . 1 . . . . . . . . 4748 1 262 . 1 1 51 51 LYS H H 1 8.803 0.007 . 1 . . . . . . . . 4748 1 263 . 1 1 51 51 LYS HA H 1 4.916 0.007 . 1 . . . . . . . . 4748 1 264 . 1 1 51 51 LYS HG2 H 1 1.455 0.007 . 1 . . . . . . . . 4748 1 265 . 1 1 51 51 LYS HG3 H 1 1.455 0.007 . 1 . . . . . . . . 4748 1 266 . 1 1 51 51 LYS HD2 H 1 1.519 0.007 . 1 . . . . . . . . 4748 1 267 . 1 1 51 51 LYS HD3 H 1 1.519 0.007 . 1 . . . . . . . . 4748 1 268 . 1 1 51 51 LYS HB2 H 1 1.739 0.007 . 1 . . . . . . . . 4748 1 269 . 1 1 51 51 LYS HB3 H 1 1.915 0.007 . 1 . . . . . . . . 4748 1 270 . 1 1 52 52 GLN HA H 1 5.605 0.007 . 1 . . . . . . . . 4748 1 271 . 1 1 52 52 GLN HB2 H 1 1.687 0.007 . 1 . . . . . . . . 4748 1 272 . 1 1 52 52 GLN HB3 H 1 1.951 0.007 . 1 . . . . . . . . 4748 1 273 . 1 1 52 52 GLN HG2 H 1 2.215 0.007 . 1 . . . . . . . . 4748 1 274 . 1 1 52 52 GLN HG3 H 1 2.129 0.007 . 1 . . . . . . . . 4748 1 275 . 1 1 52 52 GLN HE21 H 1 7.279 0.007 . 1 . . . . . . . . 4748 1 276 . 1 1 52 52 GLN HE22 H 1 6.911 0.007 . 1 . . . . . . . . 4748 1 277 . 1 1 53 53 GLN HB2 H 1 2.001 0.007 . 1 . . . . . . . . 4748 1 278 . 1 1 53 53 GLN HB3 H 1 2.159 0.007 . 1 . . . . . . . . 4748 1 279 . 1 1 53 53 GLN HG2 H 1 2.328 0.007 . 1 . . . . . . . . 4748 1 280 . 1 1 53 53 GLN HG3 H 1 2.269 0.007 . 1 . . . . . . . . 4748 1 281 . 1 1 53 53 GLN HE21 H 1 7.470 0.007 . 1 . . . . . . . . 4748 1 282 . 1 1 53 53 GLN HE22 H 1 6.838 0.007 . 1 . . . . . . . . 4748 1 283 . 1 1 54 54 VAL HA H 1 4.330 0.007 . 1 . . . . . . . . 4748 1 284 . 1 1 54 54 VAL HB H 1 2.131 0.007 . 1 . . . . . . . . 4748 1 285 . 1 1 54 54 VAL HG11 H 1 1.104 0.007 . 2 . . . . . . . . 4748 1 286 . 1 1 54 54 VAL HG12 H 1 1.104 0.007 . 2 . . . . . . . . 4748 1 287 . 1 1 54 54 VAL HG13 H 1 1.104 0.007 . 2 . . . . . . . . 4748 1 288 . 1 1 54 54 VAL HG21 H 1 1.058 0.007 . 2 . . . . . . . . 4748 1 289 . 1 1 54 54 VAL HG22 H 1 1.058 0.007 . 2 . . . . . . . . 4748 1 290 . 1 1 54 54 VAL HG23 H 1 1.058 0.007 . 2 . . . . . . . . 4748 1 291 . 1 1 55 55 VAL HA H 1 4.451 0.007 . 1 . . . . . . . . 4748 1 292 . 1 1 55 55 VAL HB H 1 2.236 0.007 . 1 . . . . . . . . 4748 1 293 . 1 1 55 55 VAL HG11 H 1 0.839 0.007 . 2 . . . . . . . . 4748 1 294 . 1 1 55 55 VAL HG12 H 1 0.839 0.007 . 2 . . . . . . . . 4748 1 295 . 1 1 55 55 VAL HG13 H 1 0.839 0.007 . 2 . . . . . . . . 4748 1 296 . 1 1 55 55 VAL HG21 H 1 0.750 0.007 . 2 . . . . . . . . 4748 1 297 . 1 1 55 55 VAL HG22 H 1 0.750 0.007 . 2 . . . . . . . . 4748 1 298 . 1 1 55 55 VAL HG23 H 1 0.750 0.007 . 2 . . . . . . . . 4748 1 299 . 1 1 56 56 ALA H H 1 8.076 0.007 . 1 . . . . . . . . 4748 1 300 . 1 1 56 56 ALA HA H 1 4.775 0.007 . 1 . . . . . . . . 4748 1 301 . 1 1 56 56 ALA HB1 H 1 1.644 0.007 . 1 . . . . . . . . 4748 1 302 . 1 1 56 56 ALA HB2 H 1 1.644 0.007 . 1 . . . . . . . . 4748 1 303 . 1 1 56 56 ALA HB3 H 1 1.644 0.007 . 1 . . . . . . . . 4748 1 304 . 1 1 57 57 GLY HA3 H 1 4.930 0.007 . 1 . . . . . . . . 4748 1 305 . 1 1 57 57 GLY HA2 H 1 4.181 0.007 . 1 . . . . . . . . 4748 1 306 . 1 1 58 58 THR HA H 1 4.918 0.007 . 1 . . . . . . . . 4748 1 307 . 1 1 58 58 THR HB H 1 3.809 0.007 . 1 . . . . . . . . 4748 1 308 . 1 1 58 58 THR HG21 H 1 0.464 0.007 . 1 . . . . . . . . 4748 1 309 . 1 1 58 58 THR HG22 H 1 0.464 0.007 . 1 . . . . . . . . 4748 1 310 . 1 1 58 58 THR HG23 H 1 0.464 0.007 . 1 . . . . . . . . 4748 1 311 . 1 1 59 59 LEU HA H 1 5.046 0.007 . 1 . . . . . . . . 4748 1 312 . 1 1 59 59 LEU HB2 H 1 1.332 0.007 . 1 . . . . . . . . 4748 1 313 . 1 1 59 59 LEU HB3 H 1 1.455 0.007 . 1 . . . . . . . . 4748 1 314 . 1 1 59 59 LEU HG H 1 1.183 0.007 . 1 . . . . . . . . 4748 1 315 . 1 1 59 59 LEU HD11 H 1 0.613 0.007 . 1 . . . . . . . . 4748 1 316 . 1 1 59 59 LEU HD12 H 1 0.613 0.007 . 1 . . . . . . . . 4748 1 317 . 1 1 59 59 LEU HD13 H 1 0.613 0.007 . 1 . . . . . . . . 4748 1 318 . 1 1 59 59 LEU HD21 H 1 0.613 0.007 . 1 . . . . . . . . 4748 1 319 . 1 1 59 59 LEU HD22 H 1 0.613 0.007 . 1 . . . . . . . . 4748 1 320 . 1 1 59 59 LEU HD23 H 1 0.613 0.007 . 1 . . . . . . . . 4748 1 321 . 1 1 60 60 TYR HB2 H 1 2.170 0.007 . 1 . . . . . . . . 4748 1 322 . 1 1 60 60 TYR HB3 H 1 1.684 0.007 . 1 . . . . . . . . 4748 1 323 . 1 1 60 60 TYR HD1 H 1 6.804 0.007 . 1 . . . . . . . . 4748 1 324 . 1 1 60 60 TYR HD2 H 1 6.804 0.007 . 1 . . . . . . . . 4748 1 325 . 1 1 60 60 TYR HE1 H 1 6.804 0.007 . 1 . . . . . . . . 4748 1 326 . 1 1 60 60 TYR HE2 H 1 6.804 0.007 . 1 . . . . . . . . 4748 1 327 . 1 1 61 61 TYR HA H 1 5.112 0.007 . 1 . . . . . . . . 4748 1 328 . 1 1 61 61 TYR HB2 H 1 2.891 0.007 . 1 . . . . . . . . 4748 1 329 . 1 1 61 61 TYR HB3 H 1 2.891 0.007 . 1 . . . . . . . . 4748 1 330 . 1 1 61 61 TYR HD1 H 1 6.994 0.007 . 1 . . . . . . . . 4748 1 331 . 1 1 61 61 TYR HD2 H 1 6.994 0.007 . 1 . . . . . . . . 4748 1 332 . 1 1 61 61 TYR HE1 H 1 6.662 0.007 . 1 . . . . . . . . 4748 1 333 . 1 1 61 61 TYR HE2 H 1 6.662 0.007 . 1 . . . . . . . . 4748 1 334 . 1 1 62 62 PHE HA H 1 5.823 0.007 . 1 . . . . . . . . 4748 1 335 . 1 1 62 62 PHE HB2 H 1 2.988 0.007 . 1 . . . . . . . . 4748 1 336 . 1 1 62 62 PHE HB3 H 1 3.179 0.007 . 1 . . . . . . . . 4748 1 337 . 1 1 62 62 PHE HD1 H 1 7.257 0.007 . 1 . . . . . . . . 4748 1 338 . 1 1 62 62 PHE HD2 H 1 7.257 0.007 . 1 . . . . . . . . 4748 1 339 . 1 1 62 62 PHE HE1 H 1 7.010 0.007 . 1 . . . . . . . . 4748 1 340 . 1 1 62 62 PHE HE2 H 1 7.010 0.007 . 1 . . . . . . . . 4748 1 341 . 1 1 62 62 PHE HZ H 1 6.714 0.007 . 1 . . . . . . . . 4748 1 342 . 1 1 63 63 THR HA H 1 5.171 0.007 . 1 . . . . . . . . 4748 1 343 . 1 1 63 63 THR HB H 1 4.153 0.007 . 1 . . . . . . . . 4748 1 344 . 1 1 63 63 THR HG21 H 1 1.141 0.007 . 1 . . . . . . . . 4748 1 345 . 1 1 63 63 THR HG22 H 1 1.141 0.007 . 1 . . . . . . . . 4748 1 346 . 1 1 63 63 THR HG23 H 1 1.141 0.007 . 1 . . . . . . . . 4748 1 347 . 1 1 64 64 ILE HA H 1 4.594 0.007 . 1 . . . . . . . . 4748 1 348 . 1 1 64 64 ILE HB H 1 1.567 0.007 . 1 . . . . . . . . 4748 1 349 . 1 1 64 64 ILE HG21 H 1 0.921 0.007 . 1 . . . . . . . . 4748 1 350 . 1 1 64 64 ILE HG22 H 1 0.921 0.007 . 1 . . . . . . . . 4748 1 351 . 1 1 64 64 ILE HG23 H 1 0.921 0.007 . 1 . . . . . . . . 4748 1 352 . 1 1 64 64 ILE HG12 H 1 1.181 0.007 . 1 . . . . . . . . 4748 1 353 . 1 1 64 64 ILE HG13 H 1 1.181 0.007 . 1 . . . . . . . . 4748 1 354 . 1 1 64 64 ILE HD11 H 1 0.874 0.007 . 1 . . . . . . . . 4748 1 355 . 1 1 64 64 ILE HD12 H 1 0.874 0.007 . 1 . . . . . . . . 4748 1 356 . 1 1 64 64 ILE HD13 H 1 0.874 0.007 . 1 . . . . . . . . 4748 1 357 . 1 1 65 65 GLU HA H 1 5.172 0.007 . 1 . . . . . . . . 4748 1 358 . 1 1 65 65 GLU HB2 H 1 1.898 0.007 . 1 . . . . . . . . 4748 1 359 . 1 1 65 65 GLU HB3 H 1 1.983 0.007 . 1 . . . . . . . . 4748 1 360 . 1 1 65 65 GLU HG2 H 1 1.694 0.007 . 1 . . . . . . . . 4748 1 361 . 1 1 65 65 GLU HG3 H 1 1.694 0.007 . 1 . . . . . . . . 4748 1 362 . 1 1 66 66 VAL HA H 1 5.174 0.007 . 1 . . . . . . . . 4748 1 363 . 1 1 66 66 VAL HB H 1 2.131 0.007 . 1 . . . . . . . . 4748 1 364 . 1 1 66 66 VAL HG11 H 1 0.873 0.007 . 2 . . . . . . . . 4748 1 365 . 1 1 66 66 VAL HG12 H 1 0.873 0.007 . 2 . . . . . . . . 4748 1 366 . 1 1 66 66 VAL HG13 H 1 0.873 0.007 . 2 . . . . . . . . 4748 1 367 . 1 1 66 66 VAL HG21 H 1 0.991 0.007 . 2 . . . . . . . . 4748 1 368 . 1 1 66 66 VAL HG22 H 1 0.991 0.007 . 2 . . . . . . . . 4748 1 369 . 1 1 66 66 VAL HG23 H 1 0.991 0.007 . 2 . . . . . . . . 4748 1 370 . 1 1 67 67 LYS HA H 1 5.037 0.007 . 1 . . . . . . . . 4748 1 371 . 1 1 67 67 LYS HB2 H 1 1.833 0.007 . 1 . . . . . . . . 4748 1 372 . 1 1 67 67 LYS HB3 H 1 1.711 0.007 . 1 . . . . . . . . 4748 1 373 . 1 1 67 67 LYS HG2 H 1 1.312 0.007 . 1 . . . . . . . . 4748 1 374 . 1 1 67 67 LYS HG3 H 1 1.312 0.007 . 1 . . . . . . . . 4748 1 375 . 1 1 67 67 LYS HD2 H 1 1.591 0.007 . 1 . . . . . . . . 4748 1 376 . 1 1 67 67 LYS HD3 H 1 1.591 0.007 . 1 . . . . . . . . 4748 1 377 . 1 1 68 68 GLU HA H 1 4.582 0.007 . 1 . . . . . . . . 4748 1 378 . 1 1 68 68 GLU HB2 H 1 2.093 0.007 . 1 . . . . . . . . 4748 1 379 . 1 1 68 68 GLU HB3 H 1 2.004 0.007 . 1 . . . . . . . . 4748 1 380 . 1 1 68 68 GLU HG2 H 1 1.793 0.007 . 1 . . . . . . . . 4748 1 381 . 1 1 68 68 GLU HG3 H 1 1.793 0.007 . 1 . . . . . . . . 4748 1 382 . 1 1 69 69 GLY HA3 H 1 4.033 0.007 . 1 . . . . . . . . 4748 1 383 . 1 1 69 69 GLY HA2 H 1 3.680 0.007 . 1 . . . . . . . . 4748 1 384 . 1 1 70 70 ASP HB2 H 1 2.678 0.007 . 1 . . . . . . . . 4748 1 385 . 1 1 70 70 ASP HB3 H 1 2.798 0.007 . 1 . . . . . . . . 4748 1 386 . 1 1 71 71 ALA HA H 1 4.675 0.007 . 1 . . . . . . . . 4748 1 387 . 1 1 71 71 ALA HB1 H 1 1.500 0.007 . 1 . . . . . . . . 4748 1 388 . 1 1 71 71 ALA HB2 H 1 1.500 0.007 . 1 . . . . . . . . 4748 1 389 . 1 1 71 71 ALA HB3 H 1 1.500 0.007 . 1 . . . . . . . . 4748 1 390 . 1 1 72 72 LYS HA H 1 5.326 0.007 . 1 . . . . . . . . 4748 1 391 . 1 1 72 72 LYS HB2 H 1 1.725 0.007 . 1 . . . . . . . . 4748 1 392 . 1 1 72 72 LYS HB3 H 1 1.725 0.007 . 1 . . . . . . . . 4748 1 393 . 1 1 72 72 LYS HG2 H 1 1.233 0.007 . 1 . . . . . . . . 4748 1 394 . 1 1 72 72 LYS HG3 H 1 1.233 0.007 . 1 . . . . . . . . 4748 1 395 . 1 1 72 72 LYS HD2 H 1 1.661 0.007 . 1 . . . . . . . . 4748 1 396 . 1 1 72 72 LYS HD3 H 1 1.661 0.007 . 1 . . . . . . . . 4748 1 397 . 1 1 73 73 LYS HB2 H 1 1.913 0.007 . 1 . . . . . . . . 4748 1 398 . 1 1 73 73 LYS HB3 H 1 1.680 0.007 . 1 . . . . . . . . 4748 1 399 . 1 1 73 73 LYS HG2 H 1 1.529 0.007 . 1 . . . . . . . . 4748 1 400 . 1 1 73 73 LYS HG3 H 1 1.316 0.007 . 1 . . . . . . . . 4748 1 401 . 1 1 73 73 LYS HD2 H 1 1.680 0.007 . 1 . . . . . . . . 4748 1 402 . 1 1 73 73 LYS HD3 H 1 1.680 0.007 . 1 . . . . . . . . 4748 1 403 . 1 1 74 74 LEU HA H 1 5.448 0.007 . 1 . . . . . . . . 4748 1 404 . 1 1 74 74 LEU HB2 H 1 1.846 0.007 . 1 . . . . . . . . 4748 1 405 . 1 1 74 74 LEU HB3 H 1 1.846 0.007 . 1 . . . . . . . . 4748 1 406 . 1 1 74 74 LEU HG H 1 1.671 0.007 . 1 . . . . . . . . 4748 1 407 . 1 1 74 74 LEU HD11 H 1 1.150 0.007 . 1 . . . . . . . . 4748 1 408 . 1 1 74 74 LEU HD12 H 1 1.150 0.007 . 1 . . . . . . . . 4748 1 409 . 1 1 74 74 LEU HD13 H 1 1.150 0.007 . 1 . . . . . . . . 4748 1 410 . 1 1 74 74 LEU HD21 H 1 1.150 0.007 . 1 . . . . . . . . 4748 1 411 . 1 1 74 74 LEU HD22 H 1 1.150 0.007 . 1 . . . . . . . . 4748 1 412 . 1 1 74 74 LEU HD23 H 1 1.150 0.007 . 1 . . . . . . . . 4748 1 413 . 1 1 75 75 TYR HB2 H 1 2.029 0.007 . 1 . . . . . . . . 4748 1 414 . 1 1 75 75 TYR HB3 H 1 1.620 0.007 . 1 . . . . . . . . 4748 1 415 . 1 1 75 75 TYR HD1 H 1 6.452 0.007 . 1 . . . . . . . . 4748 1 416 . 1 1 75 75 TYR HD2 H 1 6.452 0.007 . 1 . . . . . . . . 4748 1 417 . 1 1 75 75 TYR HE1 H 1 6.615 0.007 . 1 . . . . . . . . 4748 1 418 . 1 1 75 75 TYR HE2 H 1 6.615 0.007 . 1 . . . . . . . . 4748 1 419 . 1 1 76 76 GLU HA H 1 5.456 0.007 . 1 . . . . . . . . 4748 1 420 . 1 1 76 76 GLU HB2 H 1 1.832 0.007 . 1 . . . . . . . . 4748 1 421 . 1 1 76 76 GLU HB3 H 1 1.931 0.007 . 1 . . . . . . . . 4748 1 422 . 1 1 76 76 GLU HG2 H 1 2.106 0.007 . 1 . . . . . . . . 4748 1 423 . 1 1 76 76 GLU HG3 H 1 2.106 0.007 . 1 . . . . . . . . 4748 1 424 . 1 1 77 77 ALA HA H 1 5.514 0.007 . 1 . . . . . . . . 4748 1 425 . 1 1 77 77 ALA HB1 H 1 1.524 0.007 . 1 . . . . . . . . 4748 1 426 . 1 1 77 77 ALA HB2 H 1 1.524 0.007 . 1 . . . . . . . . 4748 1 427 . 1 1 77 77 ALA HB3 H 1 1.524 0.007 . 1 . . . . . . . . 4748 1 428 . 1 1 78 78 LYS HA H 1 5.556 0.007 . 1 . . . . . . . . 4748 1 429 . 1 1 78 78 LYS HB2 H 1 1.524 0.007 . 1 . . . . . . . . 4748 1 430 . 1 1 78 78 LYS HB3 H 1 1.328 0.007 . 1 . . . . . . . . 4748 1 431 . 1 1 78 78 LYS HG2 H 1 0.960 0.007 . 1 . . . . . . . . 4748 1 432 . 1 1 78 78 LYS HG3 H 1 0.912 0.007 . 1 . . . . . . . . 4748 1 433 . 1 1 78 78 LYS HD2 H 1 1.652 0.007 . 1 . . . . . . . . 4748 1 434 . 1 1 78 78 LYS HD3 H 1 1.644 0.007 . 1 . . . . . . . . 4748 1 435 . 1 1 79 79 VAL HA H 1 5.118 0.007 . 1 . . . . . . . . 4748 1 436 . 1 1 79 79 VAL HB H 1 2.040 0.007 . 1 . . . . . . . . 4748 1 437 . 1 1 79 79 VAL HG11 H 1 1.082 0.007 . 2 . . . . . . . . 4748 1 438 . 1 1 79 79 VAL HG12 H 1 1.082 0.007 . 2 . . . . . . . . 4748 1 439 . 1 1 79 79 VAL HG13 H 1 1.082 0.007 . 2 . . . . . . . . 4748 1 440 . 1 1 79 79 VAL HG21 H 1 1.259 0.007 . 2 . . . . . . . . 4748 1 441 . 1 1 79 79 VAL HG22 H 1 1.259 0.007 . 2 . . . . . . . . 4748 1 442 . 1 1 79 79 VAL HG23 H 1 1.259 0.007 . 2 . . . . . . . . 4748 1 443 . 1 1 80 80 TRP HA H 1 5.867 0.007 . 1 . . . . . . . . 4748 1 444 . 1 1 80 80 TRP HB2 H 1 2.935 0.007 . 1 . . . . . . . . 4748 1 445 . 1 1 80 80 TRP HB3 H 1 3.593 0.007 . 1 . . . . . . . . 4748 1 446 . 1 1 80 80 TRP HD1 H 1 7.187 0.007 . 1 . . . . . . . . 4748 1 447 . 1 1 80 80 TRP HE3 H 1 7.802 0.007 . 1 . . . . . . . . 4748 1 448 . 1 1 80 80 TRP HE1 H 1 10.408 0.007 . 1 . . . . . . . . 4748 1 449 . 1 1 80 80 TRP HZ3 H 1 7.236 0.007 . 1 . . . . . . . . 4748 1 450 . 1 1 80 80 TRP HZ2 H 1 7.588 0.007 . 1 . . . . . . . . 4748 1 451 . 1 1 80 80 TRP HH2 H 1 7.208 0.007 . 1 . . . . . . . . 4748 1 452 . 1 1 81 81 GLU HA H 1 5.110 0.007 . 1 . . . . . . . . 4748 1 453 . 1 1 81 81 GLU HB2 H 1 2.428 0.007 . 1 . . . . . . . . 4748 1 454 . 1 1 81 81 GLU HB3 H 1 2.428 0.007 . 1 . . . . . . . . 4748 1 455 . 1 1 81 81 GLU HG2 H 1 1.828 0.007 . 1 . . . . . . . . 4748 1 456 . 1 1 81 81 GLU HG3 H 1 1.828 0.007 . 1 . . . . . . . . 4748 1 457 . 1 1 82 82 LYS HA H 1 4.362 0.007 . 1 . . . . . . . . 4748 1 458 . 1 1 82 82 LYS HB2 H 1 1.006 0.007 . 1 . . . . . . . . 4748 1 459 . 1 1 82 82 LYS HB3 H 1 1.105 0.007 . 1 . . . . . . . . 4748 1 460 . 1 1 82 82 LYS HG2 H 1 -0.348 0.007 . 1 . . . . . . . . 4748 1 461 . 1 1 82 82 LYS HG3 H 1 -0.348 0.007 . 1 . . . . . . . . 4748 1 462 . 1 1 82 82 LYS HD2 H 1 0.294 0.007 . 1 . . . . . . . . 4748 1 463 . 1 1 82 82 LYS HD3 H 1 0.294 0.007 . 1 . . . . . . . . 4748 1 464 . 1 1 82 82 LYS HE2 H 1 1.105 0.007 . 1 . . . . . . . . 4748 1 465 . 1 1 82 82 LYS HE3 H 1 1.105 0.007 . 1 . . . . . . . . 4748 1 466 . 1 1 83 83 PRO HA H 1 4.366 0.007 . 1 . . . . . . . . 4748 1 467 . 1 1 83 83 PRO HB2 H 1 2.370 0.007 . 1 . . . . . . . . 4748 1 468 . 1 1 83 83 PRO HB3 H 1 2.187 0.007 . 1 . . . . . . . . 4748 1 469 . 1 1 83 83 PRO HG2 H 1 2.064 0.007 . 1 . . . . . . . . 4748 1 470 . 1 1 83 83 PRO HG3 H 1 2.064 0.007 . 1 . . . . . . . . 4748 1 471 . 1 1 83 83 PRO HD2 H 1 4.039 0.007 . 1 . . . . . . . . 4748 1 472 . 1 1 83 83 PRO HD3 H 1 3.679 0.007 . 1 . . . . . . . . 4748 1 473 . 1 1 84 84 TRP H H 1 7.034 0.007 . 1 . . . . . . . . 4748 1 474 . 1 1 84 84 TRP HA H 1 4.663 0.007 . 1 . . . . . . . . 4748 1 475 . 1 1 84 84 TRP HB2 H 1 3.424 0.007 . 1 . . . . . . . . 4748 1 476 . 1 1 84 84 TRP HB3 H 1 3.424 0.007 . 1 . . . . . . . . 4748 1 477 . 1 1 84 84 TRP HD1 H 1 7.172 0.007 . 1 . . . . . . . . 4748 1 478 . 1 1 84 84 TRP HE3 H 1 7.838 0.007 . 1 . . . . . . . . 4748 1 479 . 1 1 84 84 TRP HE1 H 1 10.524 0.007 . 1 . . . . . . . . 4748 1 480 . 1 1 84 84 TRP HZ3 H 1 7.352 0.007 . 1 . . . . . . . . 4748 1 481 . 1 1 84 84 TRP HZ2 H 1 7.531 0.007 . 1 . . . . . . . . 4748 1 482 . 1 1 84 84 TRP HH2 H 1 7.184 0.007 . 1 . . . . . . . . 4748 1 483 . 1 1 85 85 MET H H 1 6.747 0.007 . 1 . . . . . . . . 4748 1 484 . 1 1 85 85 MET HB2 H 1 1.380 0.007 . 1 . . . . . . . . 4748 1 485 . 1 1 85 85 MET HB3 H 1 1.380 0.007 . 1 . . . . . . . . 4748 1 486 . 1 1 85 85 MET HG2 H 1 1.902 0.007 . 1 . . . . . . . . 4748 1 487 . 1 1 85 85 MET HG3 H 1 1.781 0.007 . 1 . . . . . . . . 4748 1 488 . 1 1 86 86 ASP H H 1 7.728 0.007 . 1 . . . . . . . . 4748 1 489 . 1 1 86 86 ASP HA H 1 4.214 0.007 . 1 . . . . . . . . 4748 1 490 . 1 1 86 86 ASP HB2 H 1 2.947 0.007 . 1 . . . . . . . . 4748 1 491 . 1 1 86 86 ASP HB3 H 1 2.454 0.007 . 1 . . . . . . . . 4748 1 492 . 1 1 87 87 PHE HB2 H 1 2.713 0.007 . 1 . . . . . . . . 4748 1 493 . 1 1 87 87 PHE HB3 H 1 2.435 0.007 . 1 . . . . . . . . 4748 1 494 . 1 1 87 87 PHE HD1 H 1 6.684 0.007 . 1 . . . . . . . . 4748 1 495 . 1 1 87 87 PHE HD2 H 1 6.684 0.007 . 1 . . . . . . . . 4748 1 496 . 1 1 87 87 PHE HE1 H 1 6.844 0.007 . 1 . . . . . . . . 4748 1 497 . 1 1 87 87 PHE HE2 H 1 6.844 0.007 . 1 . . . . . . . . 4748 1 498 . 1 1 87 87 PHE HZ H 1 7.212 0.007 . 1 . . . . . . . . 4748 1 499 . 1 1 88 88 LYS HB2 H 1 1.263 0.007 . 1 . . . . . . . . 4748 1 500 . 1 1 88 88 LYS HB3 H 1 0.799 0.007 . 1 . . . . . . . . 4748 1 501 . 1 1 88 88 LYS HG2 H 1 0.873 0.007 . 1 . . . . . . . . 4748 1 502 . 1 1 88 88 LYS HG3 H 1 0.438 0.007 . 1 . . . . . . . . 4748 1 503 . 1 1 88 88 LYS HD2 H 1 0.332 0.007 . 1 . . . . . . . . 4748 1 504 . 1 1 88 88 LYS HD3 H 1 0.332 0.007 . 1 . . . . . . . . 4748 1 505 . 1 1 88 88 LYS HE2 H 1 2.349 0.007 . 1 . . . . . . . . 4748 1 506 . 1 1 88 88 LYS HE3 H 1 2.097 0.007 . 1 . . . . . . . . 4748 1 507 . 1 1 89 89 GLU HB2 H 1 1.945 0.007 . 1 . . . . . . . . 4748 1 508 . 1 1 89 89 GLU HB3 H 1 2.152 0.007 . 1 . . . . . . . . 4748 1 509 . 1 1 89 89 GLU HG2 H 1 2.292 0.007 . 1 . . . . . . . . 4748 1 510 . 1 1 89 89 GLU HG3 H 1 2.292 0.007 . 1 . . . . . . . . 4748 1 511 . 1 1 90 90 LEU HB2 H 1 2.102 0.007 . 1 . . . . . . . . 4748 1 512 . 1 1 90 90 LEU HB3 H 1 2.102 0.007 . 1 . . . . . . . . 4748 1 513 . 1 1 90 90 LEU HG H 1 1.936 0.007 . 1 . . . . . . . . 4748 1 514 . 1 1 90 90 LEU HD11 H 1 1.318 0.007 . 1 . . . . . . . . 4748 1 515 . 1 1 90 90 LEU HD12 H 1 1.318 0.007 . 1 . . . . . . . . 4748 1 516 . 1 1 90 90 LEU HD13 H 1 1.318 0.007 . 1 . . . . . . . . 4748 1 517 . 1 1 90 90 LEU HD21 H 1 1.000 0.007 . 1 . . . . . . . . 4748 1 518 . 1 1 90 90 LEU HD22 H 1 1.000 0.007 . 1 . . . . . . . . 4748 1 519 . 1 1 90 90 LEU HD23 H 1 1.000 0.007 . 1 . . . . . . . . 4748 1 520 . 1 1 91 91 GLN HB2 H 1 1.810 0.007 . 1 . . . . . . . . 4748 1 521 . 1 1 91 91 GLN HB3 H 1 1.810 0.007 . 1 . . . . . . . . 4748 1 522 . 1 1 91 91 GLN HG2 H 1 2.434 0.007 . 1 . . . . . . . . 4748 1 523 . 1 1 91 91 GLN HG3 H 1 2.163 0.007 . 1 . . . . . . . . 4748 1 524 . 1 1 91 91 GLN HE21 H 1 7.771 0.007 . 1 . . . . . . . . 4748 1 525 . 1 1 91 91 GLN HE22 H 1 6.369 0.007 . 1 . . . . . . . . 4748 1 526 . 1 1 92 92 GLU HB2 H 1 2.154 0.007 . 1 . . . . . . . . 4748 1 527 . 1 1 92 92 GLU HB3 H 1 2.030 0.007 . 1 . . . . . . . . 4748 1 528 . 1 1 92 92 GLU HG2 H 1 2.277 0.007 . 1 . . . . . . . . 4748 1 529 . 1 1 92 92 GLU HG3 H 1 2.277 0.007 . 1 . . . . . . . . 4748 1 530 . 1 1 93 93 PHE HA H 1 5.173 0.007 . 1 . . . . . . . . 4748 1 531 . 1 1 93 93 PHE HB2 H 1 2.810 0.007 . 1 . . . . . . . . 4748 1 532 . 1 1 93 93 PHE HB3 H 1 3.465 0.007 . 1 . . . . . . . . 4748 1 533 . 1 1 93 93 PHE HD1 H 1 6.519 0.007 . 1 . . . . . . . . 4748 1 534 . 1 1 93 93 PHE HD2 H 1 6.519 0.007 . 1 . . . . . . . . 4748 1 535 . 1 1 93 93 PHE HE1 H 1 6.075 0.007 . 1 . . . . . . . . 4748 1 536 . 1 1 93 93 PHE HE2 H 1 6.075 0.007 . 1 . . . . . . . . 4748 1 537 . 1 1 93 93 PHE HZ H 1 6.291 0.007 . 1 . . . . . . . . 4748 1 538 . 1 1 94 94 LYS HA H 1 5.288 0.007 . 1 . . . . . . . . 4748 1 539 . 1 1 94 94 LYS HB2 H 1 1.909 0.007 . 1 . . . . . . . . 4748 1 540 . 1 1 94 94 LYS HB3 H 1 1.909 0.007 . 1 . . . . . . . . 4748 1 541 . 1 1 94 94 LYS HG2 H 1 1.450 0.007 . 1 . . . . . . . . 4748 1 542 . 1 1 94 94 LYS HG3 H 1 1.450 0.007 . 1 . . . . . . . . 4748 1 543 . 1 1 94 94 LYS HD2 H 1 1.692 0.007 . 1 . . . . . . . . 4748 1 544 . 1 1 94 94 LYS HD3 H 1 1.692 0.007 . 1 . . . . . . . . 4748 1 545 . 1 1 94 94 LYS HE2 H 1 2.291 0.007 . 1 . . . . . . . . 4748 1 546 . 1 1 94 94 LYS HE3 H 1 2.291 0.007 . 1 . . . . . . . . 4748 1 547 . 1 1 95 95 PRO HB2 H 1 1.977 0.007 . 1 . . . . . . . . 4748 1 548 . 1 1 95 95 PRO HB3 H 1 1.977 0.007 . 1 . . . . . . . . 4748 1 549 . 1 1 95 95 PRO HG2 H 1 1.859 0.007 . 1 . . . . . . . . 4748 1 550 . 1 1 95 95 PRO HG3 H 1 1.699 0.007 . 1 . . . . . . . . 4748 1 551 . 1 1 95 95 PRO HD2 H 1 3.959 0.007 . 1 . . . . . . . . 4748 1 552 . 1 1 95 95 PRO HD3 H 1 3.800 0.007 . 1 . . . . . . . . 4748 1 553 . 1 1 96 96 VAL HA H 1 3.923 0.007 . 1 . . . . . . . . 4748 1 554 . 1 1 96 96 VAL HB H 1 1.796 0.007 . 1 . . . . . . . . 4748 1 555 . 1 1 96 96 VAL HG11 H 1 0.826 0.007 . 2 . . . . . . . . 4748 1 556 . 1 1 96 96 VAL HG12 H 1 0.826 0.007 . 2 . . . . . . . . 4748 1 557 . 1 1 96 96 VAL HG13 H 1 0.826 0.007 . 2 . . . . . . . . 4748 1 558 . 1 1 96 96 VAL HG21 H 1 0.783 0.007 . 2 . . . . . . . . 4748 1 559 . 1 1 96 96 VAL HG22 H 1 0.783 0.007 . 2 . . . . . . . . 4748 1 560 . 1 1 96 96 VAL HG23 H 1 0.783 0.007 . 2 . . . . . . . . 4748 1 561 . 1 1 97 97 ASP HA H 1 4.591 0.007 . 1 . . . . . . . . 4748 1 562 . 1 1 97 97 ASP HB2 H 1 2.715 0.007 . 1 . . . . . . . . 4748 1 563 . 1 1 97 97 ASP HB3 H 1 2.577 0.007 . 1 . . . . . . . . 4748 1 564 . 1 1 98 98 ALA HA H 1 4.334 0.007 . 1 . . . . . . . . 4748 1 565 . 1 1 98 98 ALA HB1 H 1 1.404 0.007 . 1 . . . . . . . . 4748 1 566 . 1 1 98 98 ALA HB2 H 1 1.404 0.007 . 1 . . . . . . . . 4748 1 567 . 1 1 98 98 ALA HB3 H 1 1.404 0.007 . 1 . . . . . . . . 4748 1 568 . 1 1 99 99 SER HA H 1 4.380 0.007 . 1 . . . . . . . . 4748 1 569 . 1 1 99 99 SER HB2 H 1 3.882 0.007 . 1 . . . . . . . . 4748 1 570 . 1 1 99 99 SER HB3 H 1 3.882 0.007 . 1 . . . . . . . . 4748 1 571 . 1 1 100 100 ALA HA H 1 4.365 0.007 . 1 . . . . . . . . 4748 1 572 . 1 1 100 100 ALA HB1 H 1 1.405 0.007 . 1 . . . . . . . . 4748 1 573 . 1 1 100 100 ALA HB2 H 1 1.405 0.007 . 1 . . . . . . . . 4748 1 574 . 1 1 100 100 ALA HB3 H 1 1.405 0.007 . 1 . . . . . . . . 4748 1 stop_ save_ save_chemical_shift_set_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_2 _Assigned_chem_shift_list.Entry_ID 4748 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_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 . . 2 $sample_2 . 4748 2 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 8 8 VAL H H 1 8.306 0.021 . 1 . . . . . . . . 4748 2 2 . 1 1 8 8 VAL HA H 1 4.079 0.014 . 1 . . . . . . . . 4748 2 3 . 1 1 8 8 VAL HG11 H 1 0.964 0.014 . 1 . . . . . . . . 4748 2 4 . 1 1 8 8 VAL HG12 H 1 0.964 0.014 . 1 . . . . . . . . 4748 2 5 . 1 1 8 8 VAL HG13 H 1 0.964 0.014 . 1 . . . . . . . . 4748 2 6 . 1 1 8 8 VAL HG21 H 1 0.964 0.014 . 1 . . . . . . . . 4748 2 7 . 1 1 8 8 VAL HG22 H 1 0.964 0.014 . 1 . . . . . . . . 4748 2 8 . 1 1 8 8 VAL HG23 H 1 0.964 0.014 . 1 . . . . . . . . 4748 2 9 . 1 1 8 8 VAL HB H 1 1.649 0.014 . 1 . . . . . . . . 4748 2 10 . 1 1 8 8 VAL N N 15 120.396 0.139 . 1 . . . . . . . . 4748 2 11 . 1 1 9 9 LEU H H 1 8.437 0.021 . 1 . . . . . . . . 4748 2 12 . 1 1 9 9 LEU HA H 1 4.423 0.014 . 1 . . . . . . . . 4748 2 13 . 1 1 9 9 LEU HB2 H 1 1.662 0.014 . 1 . . . . . . . . 4748 2 14 . 1 1 9 9 LEU HB3 H 1 1.662 0.014 . 1 . . . . . . . . 4748 2 15 . 1 1 9 9 LEU HD11 H 1 0.936 0.014 . 1 . . . . . . . . 4748 2 16 . 1 1 9 9 LEU HD12 H 1 0.936 0.014 . 1 . . . . . . . . 4748 2 17 . 1 1 9 9 LEU HD13 H 1 0.936 0.014 . 1 . . . . . . . . 4748 2 18 . 1 1 9 9 LEU HD21 H 1 0.936 0.014 . 1 . . . . . . . . 4748 2 19 . 1 1 9 9 LEU HD22 H 1 0.936 0.014 . 1 . . . . . . . . 4748 2 20 . 1 1 9 9 LEU HD23 H 1 0.936 0.014 . 1 . . . . . . . . 4748 2 21 . 1 1 9 9 LEU N N 15 126.603 0.139 . 1 . . . . . . . . 4748 2 22 . 1 1 10 10 GLY H H 1 8.470 0.021 . 1 . . . . . . . . 4748 2 23 . 1 1 10 10 GLY HA3 H 1 3.995 0.014 . 1 . . . . . . . . 4748 2 24 . 1 1 10 10 GLY HA2 H 1 3.995 0.014 . 1 . . . . . . . . 4748 2 25 . 1 1 10 10 GLY N N 15 109.780 0.139 . 1 . . . . . . . . 4748 2 26 . 1 1 11 11 GLY H H 1 8.303 0.021 . 1 . . . . . . . . 4748 2 27 . 1 1 11 11 GLY HA2 H 1 4.057 0.014 . 1 . . . . . . . . 4748 2 28 . 1 1 11 11 GLY HA3 H 1 3.945 0.014 . 1 . . . . . . . . 4748 2 29 . 1 1 11 11 GLY N N 15 108.334 0.139 . 1 . . . . . . . . 4748 2 30 . 1 1 12 12 VAL H H 1 8.045 0.021 . 1 . . . . . . . . 4748 2 31 . 1 1 12 12 VAL HA H 1 4.210 0.014 . 1 . . . . . . . . 4748 2 32 . 1 1 12 12 VAL HG11 H 1 0.870 0.014 . 1 . . . . . . . . 4748 2 33 . 1 1 12 12 VAL HG12 H 1 0.870 0.014 . 1 . . . . . . . . 4748 2 34 . 1 1 12 12 VAL HG13 H 1 0.870 0.014 . 1 . . . . . . . . 4748 2 35 . 1 1 12 12 VAL HG21 H 1 0.870 0.014 . 1 . . . . . . . . 4748 2 36 . 1 1 12 12 VAL HG22 H 1 0.870 0.014 . 1 . . . . . . . . 4748 2 37 . 1 1 12 12 VAL HG23 H 1 0.870 0.014 . 1 . . . . . . . . 4748 2 38 . 1 1 12 12 VAL HB H 1 2.043 0.014 . 1 . . . . . . . . 4748 2 39 . 1 1 12 12 VAL N N 15 118.599 0.139 . 1 . . . . . . . . 4748 2 40 . 1 1 13 13 GLU H H 1 8.646 0.021 . 1 . . . . . . . . 4748 2 41 . 1 1 13 13 GLU HA H 1 4.707 0.014 . 1 . . . . . . . . 4748 2 42 . 1 1 13 13 GLU HG2 H 1 2.331 0.014 . 1 . . . . . . . . 4748 2 43 . 1 1 13 13 GLU HG3 H 1 2.331 0.014 . 1 . . . . . . . . 4748 2 44 . 1 1 13 13 GLU HB2 H 1 2.064 0.014 . 1 . . . . . . . . 4748 2 45 . 1 1 13 13 GLU HB3 H 1 1.938 0.014 . 1 . . . . . . . . 4748 2 46 . 1 1 13 13 GLU N N 15 126.144 0.139 . 1 . . . . . . . . 4748 2 47 . 1 1 14 14 PRO HA H 1 4.588 0.014 . 1 . . . . . . . . 4748 2 48 . 1 1 14 14 PRO HB2 H 1 2.323 0.014 . 1 . . . . . . . . 4748 2 49 . 1 1 14 14 PRO HB3 H 1 2.323 0.014 . 1 . . . . . . . . 4748 2 50 . 1 1 14 14 PRO HG2 H 1 1.987 0.014 . 1 . . . . . . . . 4748 2 51 . 1 1 14 14 PRO HG3 H 1 1.987 0.014 . 1 . . . . . . . . 4748 2 52 . 1 1 15 15 VAL H H 1 8.292 0.021 . 1 . . . . . . . . 4748 2 53 . 1 1 15 15 VAL HA H 1 4.266 0.014 . 1 . . . . . . . . 4748 2 54 . 1 1 15 15 VAL HG11 H 1 1.010 0.014 . 1 . . . . . . . . 4748 2 55 . 1 1 15 15 VAL HG12 H 1 1.010 0.014 . 1 . . . . . . . . 4748 2 56 . 1 1 15 15 VAL HG13 H 1 1.010 0.014 . 1 . . . . . . . . 4748 2 57 . 1 1 15 15 VAL HG21 H 1 1.010 0.014 . 1 . . . . . . . . 4748 2 58 . 1 1 15 15 VAL HG22 H 1 1.010 0.014 . 1 . . . . . . . . 4748 2 59 . 1 1 15 15 VAL HG23 H 1 1.010 0.014 . 1 . . . . . . . . 4748 2 60 . 1 1 15 15 VAL HB H 1 2.139 0.014 . 1 . . . . . . . . 4748 2 61 . 1 1 15 15 VAL N N 15 119.606 0.139 . 1 . . . . . . . . 4748 2 62 . 1 1 16 16 GLY H H 1 8.674 0.021 . 1 . . . . . . . . 4748 2 63 . 1 1 16 16 GLY HA2 H 1 4.100 0.014 . 1 . . . . . . . . 4748 2 64 . 1 1 16 16 GLY HA3 H 1 3.978 0.014 . 1 . . . . . . . . 4748 2 65 . 1 1 16 16 GLY N N 15 111.898 0.139 . 1 . . . . . . . . 4748 2 66 . 1 1 17 17 ASN H H 1 8.358 0.021 . 1 . . . . . . . . 4748 2 67 . 1 1 17 17 ASN HA H 1 4.786 0.014 . 1 . . . . . . . . 4748 2 68 . 1 1 17 17 ASN HB2 H 1 2.913 0.014 . 1 . . . . . . . . 4748 2 69 . 1 1 17 17 ASN HB3 H 1 2.913 0.014 . 1 . . . . . . . . 4748 2 70 . 1 1 17 17 ASN HD21 H 1 7.730 0.021 . 1 . . . . . . . . 4748 2 71 . 1 1 17 17 ASN HD22 H 1 7.000 0.021 . 1 . . . . . . . . 4748 2 72 . 1 1 17 17 ASN N N 15 118.448 0.139 . 1 . . . . . . . . 4748 2 73 . 1 1 17 17 ASN ND2 N 15 112.060 0.139 . 1 . . . . . . . . 4748 2 74 . 1 1 18 18 GLU H H 1 9.232 0.021 . 1 . . . . . . . . 4748 2 75 . 1 1 18 18 GLU HA H 1 4.097 0.014 . 1 . . . . . . . . 4748 2 76 . 1 1 18 18 GLU HB2 H 1 2.008 0.014 . 1 . . . . . . . . 4748 2 77 . 1 1 18 18 GLU HB3 H 1 2.008 0.014 . 1 . . . . . . . . 4748 2 78 . 1 1 18 18 GLU HG2 H 1 2.345 0.014 . 1 . . . . . . . . 4748 2 79 . 1 1 18 18 GLU HG3 H 1 2.251 0.014 . 1 . . . . . . . . 4748 2 80 . 1 1 18 18 GLU N N 15 120.800 0.139 . 1 . . . . . . . . 4748 2 81 . 1 1 19 19 ASN H H 1 8.252 0.021 . 1 . . . . . . . . 4748 2 82 . 1 1 19 19 ASN HA H 1 4.775 0.014 . 1 . . . . . . . . 4748 2 83 . 1 1 19 19 ASN HB2 H 1 2.882 0.014 . 1 . . . . . . . . 4748 2 84 . 1 1 19 19 ASN HB3 H 1 2.767 0.014 . 1 . . . . . . . . 4748 2 85 . 1 1 19 19 ASN HD21 H 1 7.679 0.021 . 1 . . . . . . . . 4748 2 86 . 1 1 19 19 ASN HD22 H 1 6.991 0.021 . 1 . . . . . . . . 4748 2 87 . 1 1 19 19 ASN N N 15 116.805 0.139 . 1 . . . . . . . . 4748 2 88 . 1 1 19 19 ASN ND2 N 15 113.252 0.139 . 1 . . . . . . . . 4748 2 89 . 1 1 20 20 ASP H H 1 7.942 0.021 . 1 . . . . . . . . 4748 2 90 . 1 1 20 20 ASP HA H 1 4.497 0.014 . 1 . . . . . . . . 4748 2 91 . 1 1 20 20 ASP HB2 H 1 2.883 0.014 . 1 . . . . . . . . 4748 2 92 . 1 1 20 20 ASP HB3 H 1 2.784 0.014 . 1 . . . . . . . . 4748 2 93 . 1 1 20 20 ASP N N 15 121.314 0.139 . 1 . . . . . . . . 4748 2 94 . 1 1 21 21 LEU H H 1 8.498 0.021 . 1 . . . . . . . . 4748 2 95 . 1 1 21 21 LEU HA H 1 4.000 0.014 . 1 . . . . . . . . 4748 2 96 . 1 1 21 21 LEU HD11 H 1 0.939 0.014 . 1 . . . . . . . . 4748 2 97 . 1 1 21 21 LEU HD12 H 1 0.939 0.014 . 1 . . . . . . . . 4748 2 98 . 1 1 21 21 LEU HD13 H 1 0.939 0.014 . 1 . . . . . . . . 4748 2 99 . 1 1 21 21 LEU HD21 H 1 0.939 0.014 . 1 . . . . . . . . 4748 2 100 . 1 1 21 21 LEU HD22 H 1 0.939 0.014 . 1 . . . . . . . . 4748 2 101 . 1 1 21 21 LEU HD23 H 1 0.939 0.014 . 1 . . . . . . . . 4748 2 102 . 1 1 21 21 LEU HB2 H 1 1.651 0.014 . 4 . . . . . . . . 4748 2 103 . 1 1 21 21 LEU HB3 H 1 1.798 0.014 . 1 . . . . . . . . 4748 2 104 . 1 1 21 21 LEU HG H 1 1.651 0.014 . 4 . . . . . . . . 4748 2 105 . 1 1 21 21 LEU N N 15 124.400 0.139 . 1 . . . . . . . . 4748 2 106 . 1 1 22 22 HIS H H 1 8.475 0.021 . 1 . . . . . . . . 4748 2 107 . 1 1 22 22 HIS HA H 1 4.490 0.014 . 1 . . . . . . . . 4748 2 108 . 1 1 22 22 HIS HB2 H 1 3.307 0.014 . 1 . . . . . . . . 4748 2 109 . 1 1 22 22 HIS HB3 H 1 3.396 0.014 . 1 . . . . . . . . 4748 2 110 . 1 1 22 22 HIS HD2 H 1 7.154 0.014 . 1 . . . . . . . . 4748 2 111 . 1 1 22 22 HIS HE1 H 1 8.476 0.014 . 1 . . . . . . . . 4748 2 112 . 1 1 22 22 HIS N N 15 117.494 0.139 . 1 . . . . . . . . 4748 2 113 . 1 1 23 23 LEU H H 1 7.610 0.021 . 1 . . . . . . . . 4748 2 114 . 1 1 23 23 LEU HA H 1 3.675 0.014 . 1 . . . . . . . . 4748 2 115 . 1 1 23 23 LEU HD11 H 1 1.132 0.014 . 2 . . . . . . . . 4748 2 116 . 1 1 23 23 LEU HD12 H 1 1.132 0.014 . 2 . . . . . . . . 4748 2 117 . 1 1 23 23 LEU HD13 H 1 1.132 0.014 . 2 . . . . . . . . 4748 2 118 . 1 1 23 23 LEU HD21 H 1 0.760 0.014 . 2 . . . . . . . . 4748 2 119 . 1 1 23 23 LEU HD22 H 1 0.760 0.014 . 2 . . . . . . . . 4748 2 120 . 1 1 23 23 LEU HD23 H 1 0.760 0.014 . 2 . . . . . . . . 4748 2 121 . 1 1 23 23 LEU HB2 H 1 1.985 0.014 . 1 . . . . . . . . 4748 2 122 . 1 1 23 23 LEU HB3 H 1 1.226 0.014 . 1 . . . . . . . . 4748 2 123 . 1 1 23 23 LEU HG H 1 1.871 0.014 . 1 . . . . . . . . 4748 2 124 . 1 1 23 23 LEU N N 15 117.202 0.139 . 1 . . . . . . . . 4748 2 125 . 1 1 24 24 VAL H H 1 7.735 0.021 . 1 . . . . . . . . 4748 2 126 . 1 1 24 24 VAL HA H 1 3.238 0.014 . 1 . . . . . . . . 4748 2 127 . 1 1 24 24 VAL HG11 H 1 0.881 0.014 . 2 . . . . . . . . 4748 2 128 . 1 1 24 24 VAL HG12 H 1 0.881 0.014 . 2 . . . . . . . . 4748 2 129 . 1 1 24 24 VAL HG13 H 1 0.881 0.014 . 2 . . . . . . . . 4748 2 130 . 1 1 24 24 VAL HG21 H 1 1.073 0.014 . 2 . . . . . . . . 4748 2 131 . 1 1 24 24 VAL HG22 H 1 1.073 0.014 . 2 . . . . . . . . 4748 2 132 . 1 1 24 24 VAL HG23 H 1 1.073 0.014 . 2 . . . . . . . . 4748 2 133 . 1 1 24 24 VAL HB H 1 2.019 0.014 . 1 . . . . . . . . 4748 2 134 . 1 1 24 24 VAL N N 15 118.482 0.139 . 1 . . . . . . . . 4748 2 135 . 1 1 25 25 ASP H H 1 7.861 0.021 . 1 . . . . . . . . 4748 2 136 . 1 1 25 25 ASP HA H 1 4.201 0.014 . 1 . . . . . . . . 4748 2 137 . 1 1 25 25 ASP HB2 H 1 2.515 0.014 . 1 . . . . . . . . 4748 2 138 . 1 1 25 25 ASP HB3 H 1 2.788 0.014 . 1 . . . . . . . . 4748 2 139 . 1 1 25 25 ASP N N 15 118.843 0.139 . 1 . . . . . . . . 4748 2 140 . 1 1 26 26 LEU H H 1 7.772 0.021 . 1 . . . . . . . . 4748 2 141 . 1 1 26 26 LEU HA H 1 3.991 0.014 . 1 . . . . . . . . 4748 2 142 . 1 1 26 26 LEU HB2 H 1 1.913 0.014 . 1 . . . . . . . . 4748 2 143 . 1 1 26 26 LEU HB3 H 1 1.913 0.014 . 1 . . . . . . . . 4748 2 144 . 1 1 26 26 LEU HD11 H 1 0.464 0.014 . 2 . . . . . . . . 4748 2 145 . 1 1 26 26 LEU HD12 H 1 0.464 0.014 . 2 . . . . . . . . 4748 2 146 . 1 1 26 26 LEU HD13 H 1 0.464 0.014 . 2 . . . . . . . . 4748 2 147 . 1 1 26 26 LEU HD21 H 1 0.358 0.014 . 2 . . . . . . . . 4748 2 148 . 1 1 26 26 LEU HD22 H 1 0.358 0.014 . 2 . . . . . . . . 4748 2 149 . 1 1 26 26 LEU HD23 H 1 0.358 0.014 . 2 . . . . . . . . 4748 2 150 . 1 1 26 26 LEU HG H 1 1.161 0.014 . 1 . . . . . . . . 4748 2 151 . 1 1 26 26 LEU N N 15 121.031 0.139 . 1 . . . . . . . . 4748 2 152 . 1 1 27 27 ALA H H 1 7.937 0.021 . 1 . . . . . . . . 4748 2 153 . 1 1 27 27 ALA HA H 1 3.657 0.014 . 1 . . . . . . . . 4748 2 154 . 1 1 27 27 ALA HB1 H 1 0.983 0.014 . 1 . . . . . . . . 4748 2 155 . 1 1 27 27 ALA HB2 H 1 0.983 0.014 . 1 . . . . . . . . 4748 2 156 . 1 1 27 27 ALA HB3 H 1 0.983 0.014 . 1 . . . . . . . . 4748 2 157 . 1 1 27 27 ALA N N 15 124.193 0.139 . 1 . . . . . . . . 4748 2 158 . 1 1 28 28 ARG H H 1 8.229 0.021 . 1 . . . . . . . . 4748 2 159 . 1 1 28 28 ARG HA H 1 3.410 0.014 . 1 . . . . . . . . 4748 2 160 . 1 1 28 28 ARG HD2 H 1 2.926 0.014 . 1 . . . . . . . . 4748 2 161 . 1 1 28 28 ARG HD3 H 1 2.926 0.014 . 1 . . . . . . . . 4748 2 162 . 1 1 28 28 ARG HB2 H 1 1.480 0.014 . 1 . . . . . . . . 4748 2 163 . 1 1 28 28 ARG HB3 H 1 1.563 0.014 . 1 . . . . . . . . 4748 2 164 . 1 1 28 28 ARG HG2 H 1 0.868 0.014 . 1 . . . . . . . . 4748 2 165 . 1 1 28 28 ARG HG3 H 1 0.565 0.014 . 1 . . . . . . . . 4748 2 166 . 1 1 28 28 ARG HE H 1 6.759 0.014 . 1 . . . . . . . . 4748 2 167 . 1 1 28 28 ARG N N 15 117.788 0.139 . 1 . . . . . . . . 4748 2 168 . 1 1 28 28 ARG NE N 15 119.234 0.139 . 1 . . . . . . . . 4748 2 169 . 1 1 29 29 PHE H H 1 8.008 0.021 . 1 . . . . . . . . 4748 2 170 . 1 1 29 29 PHE HA H 1 4.252 0.014 . 1 . . . . . . . . 4748 2 171 . 1 1 29 29 PHE HD1 H 1 7.238 0.014 . 1 . . . . . . . . 4748 2 172 . 1 1 29 29 PHE HD2 H 1 7.238 0.014 . 1 . . . . . . . . 4748 2 173 . 1 1 29 29 PHE HE1 H 1 7.049 0.014 . 1 . . . . . . . . 4748 2 174 . 1 1 29 29 PHE HE2 H 1 7.049 0.014 . 1 . . . . . . . . 4748 2 175 . 1 1 29 29 PHE HB2 H 1 3.217 0.014 . 1 . . . . . . . . 4748 2 176 . 1 1 29 29 PHE HB3 H 1 3.460 0.014 . 1 . . . . . . . . 4748 2 177 . 1 1 29 29 PHE N N 15 121.574 0.139 . 1 . . . . . . . . 4748 2 178 . 1 1 30 30 ALA H H 1 8.103 0.021 . 1 . . . . . . . . 4748 2 179 . 1 1 30 30 ALA HA H 1 3.556 0.014 . 1 . . . . . . . . 4748 2 180 . 1 1 30 30 ALA HB1 H 1 1.622 0.014 . 1 . . . . . . . . 4748 2 181 . 1 1 30 30 ALA HB2 H 1 1.622 0.014 . 1 . . . . . . . . 4748 2 182 . 1 1 30 30 ALA HB3 H 1 1.622 0.014 . 1 . . . . . . . . 4748 2 183 . 1 1 30 30 ALA N N 15 121.410 0.139 . 1 . . . . . . . . 4748 2 184 . 1 1 31 31 VAL H H 1 7.371 0.021 . 1 . . . . . . . . 4748 2 185 . 1 1 31 31 VAL HA H 1 3.075 0.014 . 1 . . . . . . . . 4748 2 186 . 1 1 31 31 VAL HG11 H 1 0.790 0.014 . 2 . . . . . . . . 4748 2 187 . 1 1 31 31 VAL HG12 H 1 0.790 0.014 . 2 . . . . . . . . 4748 2 188 . 1 1 31 31 VAL HG13 H 1 0.790 0.014 . 2 . . . . . . . . 4748 2 189 . 1 1 31 31 VAL HG21 H 1 1.254 0.014 . 2 . . . . . . . . 4748 2 190 . 1 1 31 31 VAL HG22 H 1 1.254 0.014 . 2 . . . . . . . . 4748 2 191 . 1 1 31 31 VAL HG23 H 1 1.254 0.014 . 2 . . . . . . . . 4748 2 192 . 1 1 31 31 VAL HB H 1 2.248 0.014 . 1 . . . . . . . . 4748 2 193 . 1 1 31 31 VAL N N 15 114.486 0.139 . 1 . . . . . . . . 4748 2 194 . 1 1 32 32 THR H H 1 8.241 0.021 . 1 . . . . . . . . 4748 2 195 . 1 1 32 32 THR HA H 1 3.803 0.014 . 1 . . . . . . . . 4748 2 196 . 1 1 32 32 THR HG21 H 1 1.238 0.014 . 1 . . . . . . . . 4748 2 197 . 1 1 32 32 THR HG22 H 1 1.238 0.014 . 1 . . . . . . . . 4748 2 198 . 1 1 32 32 THR HG23 H 1 1.238 0.014 . 1 . . . . . . . . 4748 2 199 . 1 1 32 32 THR HB H 1 4.184 0.014 . 1 . . . . . . . . 4748 2 200 . 1 1 32 32 THR N N 15 115.322 0.139 . 1 . . . . . . . . 4748 2 201 . 1 1 33 33 GLU H H 1 8.732 0.021 . 1 . . . . . . . . 4748 2 202 . 1 1 33 33 GLU HA H 1 3.817 0.014 . 1 . . . . . . . . 4748 2 203 . 1 1 33 33 GLU HB2 H 1 1.495 0.014 . 1 . . . . . . . . 4748 2 204 . 1 1 33 33 GLU HB3 H 1 1.495 0.014 . 1 . . . . . . . . 4748 2 205 . 1 1 33 33 GLU HG2 H 1 1.602 0.014 . 1 . . . . . . . . 4748 2 206 . 1 1 33 33 GLU HG3 H 1 1.602 0.014 . 1 . . . . . . . . 4748 2 207 . 1 1 33 33 GLU N N 15 122.267 0.139 . 1 . . . . . . . . 4748 2 208 . 1 1 34 34 HIS H H 1 7.927 0.021 . 1 . . . . . . . . 4748 2 209 . 1 1 34 34 HIS HA H 1 3.800 0.014 . 1 . . . . . . . . 4748 2 210 . 1 1 34 34 HIS HB2 H 1 1.796 0.014 . 1 . . . . . . . . 4748 2 211 . 1 1 34 34 HIS HB3 H 1 2.171 0.014 . 1 . . . . . . . . 4748 2 212 . 1 1 34 34 HIS HD2 H 1 6.291 0.014 . 1 . . . . . . . . 4748 2 213 . 1 1 34 34 HIS HE1 H 1 8.000 0.014 . 1 . . . . . . . . 4748 2 214 . 1 1 34 34 HIS N N 15 120.392 0.139 . 1 . . . . . . . . 4748 2 215 . 1 1 35 35 ASN H H 1 8.273 0.021 . 1 . . . . . . . . 4748 2 216 . 1 1 35 35 ASN HA H 1 4.274 0.014 . 1 . . . . . . . . 4748 2 217 . 1 1 35 35 ASN HB2 H 1 2.850 0.014 . 1 . . . . . . . . 4748 2 218 . 1 1 35 35 ASN HB3 H 1 2.850 0.014 . 1 . . . . . . . . 4748 2 219 . 1 1 35 35 ASN HD21 H 1 8.075 0.021 . 1 . . . . . . . . 4748 2 220 . 1 1 35 35 ASN HD22 H 1 7.472 0.021 . 1 . . . . . . . . 4748 2 221 . 1 1 35 35 ASN N N 15 116.377 0.139 . 1 . . . . . . . . 4748 2 222 . 1 1 35 35 ASN ND2 N 15 111.026 0.139 . 1 . . . . . . . . 4748 2 223 . 1 1 36 36 LYS H H 1 7.508 0.021 . 1 . . . . . . . . 4748 2 224 . 1 1 36 36 LYS HA H 1 4.021 0.014 . 1 . . . . . . . . 4748 2 225 . 1 1 36 36 LYS HB2 H 1 1.857 0.014 . 1 . . . . . . . . 4748 2 226 . 1 1 36 36 LYS HB3 H 1 1.857 0.014 . 1 . . . . . . . . 4748 2 227 . 1 1 36 36 LYS HG2 H 1 1.391 0.014 . 1 . . . . . . . . 4748 2 228 . 1 1 36 36 LYS HG3 H 1 1.391 0.014 . 1 . . . . . . . . 4748 2 229 . 1 1 36 36 LYS HD2 H 1 1.606 0.014 . 1 . . . . . . . . 4748 2 230 . 1 1 36 36 LYS HD3 H 1 1.606 0.014 . 1 . . . . . . . . 4748 2 231 . 1 1 36 36 LYS N N 15 117.797 0.139 . 1 . . . . . . . . 4748 2 232 . 1 1 37 37 LYS H H 1 7.498 0.021 . 1 . . . . . . . . 4748 2 233 . 1 1 37 37 LYS HA H 1 4.099 0.014 . 1 . . . . . . . . 4748 2 234 . 1 1 37 37 LYS HB2 H 1 1.776 0.014 . 1 . . . . . . . . 4748 2 235 . 1 1 37 37 LYS HB3 H 1 1.776 0.014 . 1 . . . . . . . . 4748 2 236 . 1 1 37 37 LYS HG2 H 1 1.412 0.014 . 1 . . . . . . . . 4748 2 237 . 1 1 37 37 LYS HG3 H 1 1.412 0.014 . 1 . . . . . . . . 4748 2 238 . 1 1 37 37 LYS HD2 H 1 1.521 0.014 . 1 . . . . . . . . 4748 2 239 . 1 1 37 37 LYS HD3 H 1 1.521 0.014 . 1 . . . . . . . . 4748 2 240 . 1 1 37 37 LYS N N 15 118.006 0.139 . 1 . . . . . . . . 4748 2 241 . 1 1 38 38 ALA H H 1 8.339 0.021 . 1 . . . . . . . . 4748 2 242 . 1 1 38 38 ALA HA H 1 4.280 0.014 . 1 . . . . . . . . 4748 2 243 . 1 1 38 38 ALA HB1 H 1 0.920 0.014 . 1 . . . . . . . . 4748 2 244 . 1 1 38 38 ALA HB2 H 1 0.920 0.014 . 1 . . . . . . . . 4748 2 245 . 1 1 38 38 ALA HB3 H 1 0.920 0.014 . 1 . . . . . . . . 4748 2 246 . 1 1 38 38 ALA N N 15 119.379 0.139 . 1 . . . . . . . . 4748 2 247 . 1 1 39 39 ASN H H 1 7.866 0.021 . 1 . . . . . . . . 4748 2 248 . 1 1 39 39 ASN HA H 1 4.485 0.014 . 1 . . . . . . . . 4748 2 249 . 1 1 39 39 ASN HB2 H 1 3.069 0.014 . 1 . . . . . . . . 4748 2 250 . 1 1 39 39 ASN HB3 H 1 2.772 0.014 . 1 . . . . . . . . 4748 2 251 . 1 1 39 39 ASN HD21 H 1 7.519 0.021 . 1 . . . . . . . . 4748 2 252 . 1 1 39 39 ASN HD22 H 1 6.810 0.021 . 1 . . . . . . . . 4748 2 253 . 1 1 39 39 ASN N N 15 116.626 0.139 . 1 . . . . . . . . 4748 2 254 . 1 1 39 39 ASN ND2 N 15 111.912 0.139 . 1 . . . . . . . . 4748 2 255 . 1 1 40 40 SER H H 1 7.762 0.021 . 1 . . . . . . . . 4748 2 256 . 1 1 40 40 SER HA H 1 4.646 0.014 . 1 . . . . . . . . 4748 2 257 . 1 1 40 40 SER HB2 H 1 3.625 0.014 . 1 . . . . . . . . 4748 2 258 . 1 1 40 40 SER HB3 H 1 3.980 0.014 . 1 . . . . . . . . 4748 2 259 . 1 1 40 40 SER N N 15 111.110 0.139 . 1 . . . . . . . . 4748 2 260 . 1 1 41 41 LEU H H 1 8.572 0.021 . 1 . . . . . . . . 4748 2 261 . 1 1 41 41 LEU HA H 1 4.537 0.014 . 1 . . . . . . . . 4748 2 262 . 1 1 41 41 LEU HB2 H 1 1.424 0.014 . 1 . . . . . . . . 4748 2 263 . 1 1 41 41 LEU HB3 H 1 1.424 0.014 . 1 . . . . . . . . 4748 2 264 . 1 1 41 41 LEU HD11 H 1 0.817 0.014 . 2 . . . . . . . . 4748 2 265 . 1 1 41 41 LEU HD12 H 1 0.817 0.014 . 2 . . . . . . . . 4748 2 266 . 1 1 41 41 LEU HD13 H 1 0.817 0.014 . 2 . . . . . . . . 4748 2 267 . 1 1 41 41 LEU HD21 H 1 0.619 0.014 . 2 . . . . . . . . 4748 2 268 . 1 1 41 41 LEU HD22 H 1 0.619 0.014 . 2 . . . . . . . . 4748 2 269 . 1 1 41 41 LEU HD23 H 1 0.619 0.014 . 2 . . . . . . . . 4748 2 270 . 1 1 41 41 LEU HG H 1 1.763 0.014 . 1 . . . . . . . . 4748 2 271 . 1 1 41 41 LEU N N 15 122.114 0.139 . 1 . . . . . . . . 4748 2 272 . 1 1 42 42 LEU H H 1 8.306 0.021 . 1 . . . . . . . . 4748 2 273 . 1 1 42 42 LEU HA H 1 4.529 0.014 . 1 . . . . . . . . 4748 2 274 . 1 1 42 42 LEU HB2 H 1 1.838 0.014 . 1 . . . . . . . . 4748 2 275 . 1 1 42 42 LEU HB3 H 1 1.838 0.014 . 1 . . . . . . . . 4748 2 276 . 1 1 42 42 LEU HD11 H 1 1.154 0.014 . 1 . . . . . . . . 4748 2 277 . 1 1 42 42 LEU HD12 H 1 1.154 0.014 . 1 . . . . . . . . 4748 2 278 . 1 1 42 42 LEU HD13 H 1 1.154 0.014 . 1 . . . . . . . . 4748 2 279 . 1 1 42 42 LEU HD21 H 1 1.154 0.014 . 1 . . . . . . . . 4748 2 280 . 1 1 42 42 LEU HD22 H 1 1.154 0.014 . 1 . . . . . . . . 4748 2 281 . 1 1 42 42 LEU HD23 H 1 1.154 0.014 . 1 . . . . . . . . 4748 2 282 . 1 1 42 42 LEU HG H 1 1.713 0.014 . 1 . . . . . . . . 4748 2 283 . 1 1 42 42 LEU N N 15 120.227 0.139 . 1 . . . . . . . . 4748 2 284 . 1 1 43 43 GLU H H 1 8.558 0.021 . 1 . . . . . . . . 4748 2 285 . 1 1 43 43 GLU HA H 1 4.761 0.014 . 1 . . . . . . . . 4748 2 286 . 1 1 43 43 GLU HB2 H 1 2.110 0.014 . 1 . . . . . . . . 4748 2 287 . 1 1 43 43 GLU HB3 H 1 1.962 0.014 . 1 . . . . . . . . 4748 2 288 . 1 1 43 43 GLU HG2 H 1 2.315 0.014 . 1 . . . . . . . . 4748 2 289 . 1 1 43 43 GLU HG3 H 1 2.221 0.014 . 1 . . . . . . . . 4748 2 290 . 1 1 43 43 GLU N N 15 119.723 0.139 . 1 . . . . . . . . 4748 2 291 . 1 1 44 44 PHE H H 1 9.348 0.021 . 1 . . . . . . . . 4748 2 292 . 1 1 44 44 PHE HA H 1 3.886 0.014 . 1 . . . . . . . . 4748 2 293 . 1 1 44 44 PHE HB2 H 1 3.005 0.014 . 1 . . . . . . . . 4748 2 294 . 1 1 44 44 PHE HB3 H 1 3.005 0.014 . 1 . . . . . . . . 4748 2 295 . 1 1 44 44 PHE HD1 H 1 6.960 0.014 . 1 . . . . . . . . 4748 2 296 . 1 1 44 44 PHE HD2 H 1 6.960 0.014 . 1 . . . . . . . . 4748 2 297 . 1 1 44 44 PHE HE1 H 1 7.019 0.014 . 1 . . . . . . . . 4748 2 298 . 1 1 44 44 PHE HE2 H 1 7.019 0.014 . 1 . . . . . . . . 4748 2 299 . 1 1 44 44 PHE HZ H 1 7.206 0.014 . 1 . . . . . . . . 4748 2 300 . 1 1 44 44 PHE N N 15 125.359 0.139 . 1 . . . . . . . . 4748 2 301 . 1 1 45 45 GLU H H 1 7.907 0.021 . 1 . . . . . . . . 4748 2 302 . 1 1 45 45 GLU HA H 1 4.523 0.014 . 1 . . . . . . . . 4748 2 303 . 1 1 45 45 GLU HB2 H 1 1.685 0.014 . 1 . . . . . . . . 4748 2 304 . 1 1 45 45 GLU HB3 H 1 1.586 0.014 . 1 . . . . . . . . 4748 2 305 . 1 1 45 45 GLU HG2 H 1 2.121 0.014 . 1 . . . . . . . . 4748 2 306 . 1 1 45 45 GLU HG3 H 1 1.894 0.014 . 1 . . . . . . . . 4748 2 307 . 1 1 45 45 GLU N N 15 126.931 0.139 . 1 . . . . . . . . 4748 2 308 . 1 1 46 46 LYS H H 1 7.372 0.021 . 1 . . . . . . . . 4748 2 309 . 1 1 46 46 LYS HA H 1 4.162 0.014 . 1 . . . . . . . . 4748 2 310 . 1 1 46 46 LYS HB2 H 1 1.139 0.014 . 1 . . . . . . . . 4748 2 311 . 1 1 46 46 LYS HB3 H 1 1.139 0.014 . 1 . . . . . . . . 4748 2 312 . 1 1 46 46 LYS HD2 H 1 1.687 0.014 . 1 . . . . . . . . 4748 2 313 . 1 1 46 46 LYS HD3 H 1 1.687 0.014 . 1 . . . . . . . . 4748 2 314 . 1 1 46 46 LYS HG2 H 1 1.587 0.014 . 1 . . . . . . . . 4748 2 315 . 1 1 46 46 LYS HG3 H 1 1.587 0.014 . 1 . . . . . . . . 4748 2 316 . 1 1 46 46 LYS N N 15 113.666 0.139 . 1 . . . . . . . . 4748 2 317 . 1 1 47 47 LEU H H 1 9.198 0.021 . 1 . . . . . . . . 4748 2 318 . 1 1 47 47 LEU HA H 1 4.577 0.014 . 1 . . . . . . . . 4748 2 319 . 1 1 47 47 LEU HB2 H 1 2.149 0.014 . 1 . . . . . . . . 4748 2 320 . 1 1 47 47 LEU HB3 H 1 2.149 0.014 . 1 . . . . . . . . 4748 2 321 . 1 1 47 47 LEU HD11 H 1 0.889 0.014 . 2 . . . . . . . . 4748 2 322 . 1 1 47 47 LEU HD12 H 1 0.889 0.014 . 2 . . . . . . . . 4748 2 323 . 1 1 47 47 LEU HD13 H 1 0.889 0.014 . 2 . . . . . . . . 4748 2 324 . 1 1 47 47 LEU HD21 H 1 0.672 0.014 . 2 . . . . . . . . 4748 2 325 . 1 1 47 47 LEU HD22 H 1 0.672 0.014 . 2 . . . . . . . . 4748 2 326 . 1 1 47 47 LEU HD23 H 1 0.672 0.014 . 2 . . . . . . . . 4748 2 327 . 1 1 47 47 LEU HG H 1 1.184 0.014 . 1 . . . . . . . . 4748 2 328 . 1 1 47 47 LEU N N 15 125.609 0.139 . 1 . . . . . . . . 4748 2 329 . 1 1 48 48 VAL H H 1 8.788 0.021 . 1 . . . . . . . . 4748 2 330 . 1 1 48 48 VAL HA H 1 3.932 0.014 . 1 . . . . . . . . 4748 2 331 . 1 1 48 48 VAL HG11 H 1 0.884 0.014 . 1 . . . . . . . . 4748 2 332 . 1 1 48 48 VAL HG12 H 1 0.884 0.014 . 1 . . . . . . . . 4748 2 333 . 1 1 48 48 VAL HG13 H 1 0.884 0.014 . 1 . . . . . . . . 4748 2 334 . 1 1 48 48 VAL HG21 H 1 0.884 0.014 . 1 . . . . . . . . 4748 2 335 . 1 1 48 48 VAL HG22 H 1 0.884 0.014 . 1 . . . . . . . . 4748 2 336 . 1 1 48 48 VAL HG23 H 1 0.884 0.014 . 1 . . . . . . . . 4748 2 337 . 1 1 48 48 VAL HB H 1 1.843 0.014 . 1 . . . . . . . . 4748 2 338 . 1 1 48 48 VAL N N 15 127.207 0.139 . 1 . . . . . . . . 4748 2 339 . 1 1 49 49 SER H H 1 7.791 0.021 . 1 . . . . . . . . 4748 2 340 . 1 1 49 49 SER HA H 1 4.858 0.014 . 1 . . . . . . . . 4748 2 341 . 1 1 49 49 SER HB2 H 1 3.855 0.014 . 1 . . . . . . . . 4748 2 342 . 1 1 49 49 SER HB3 H 1 3.942 0.014 . 1 . . . . . . . . 4748 2 343 . 1 1 49 49 SER N N 15 110.149 0.139 . 1 . . . . . . . . 4748 2 344 . 1 1 50 50 VAL H H 1 8.833 0.021 . 1 . . . . . . . . 4748 2 345 . 1 1 50 50 VAL HA H 1 5.292 0.014 . 1 . . . . . . . . 4748 2 346 . 1 1 50 50 VAL HG11 H 1 1.181 0.014 . 1 . . . . . . . . 4748 2 347 . 1 1 50 50 VAL HG12 H 1 1.181 0.014 . 1 . . . . . . . . 4748 2 348 . 1 1 50 50 VAL HG13 H 1 1.181 0.014 . 1 . . . . . . . . 4748 2 349 . 1 1 50 50 VAL HG21 H 1 1.181 0.014 . 1 . . . . . . . . 4748 2 350 . 1 1 50 50 VAL HG22 H 1 1.181 0.014 . 1 . . . . . . . . 4748 2 351 . 1 1 50 50 VAL HG23 H 1 1.181 0.014 . 1 . . . . . . . . 4748 2 352 . 1 1 50 50 VAL HB H 1 2.283 0.014 . 1 . . . . . . . . 4748 2 353 . 1 1 50 50 VAL N N 15 120.516 0.139 . 1 . . . . . . . . 4748 2 354 . 1 1 51 51 LYS H H 1 8.803 0.021 . 1 . . . . . . . . 4748 2 355 . 1 1 51 51 LYS HA H 1 4.916 0.014 . 1 . . . . . . . . 4748 2 356 . 1 1 51 51 LYS HG2 H 1 1.455 0.014 . 1 . . . . . . . . 4748 2 357 . 1 1 51 51 LYS HG3 H 1 1.455 0.014 . 1 . . . . . . . . 4748 2 358 . 1 1 51 51 LYS HD2 H 1 1.519 0.014 . 1 . . . . . . . . 4748 2 359 . 1 1 51 51 LYS HD3 H 1 1.519 0.014 . 1 . . . . . . . . 4748 2 360 . 1 1 51 51 LYS HB2 H 1 1.739 0.014 . 1 . . . . . . . . 4748 2 361 . 1 1 51 51 LYS HB3 H 1 1.915 0.014 . 1 . . . . . . . . 4748 2 362 . 1 1 51 51 LYS N N 15 126.403 0.139 . 1 . . . . . . . . 4748 2 363 . 1 1 52 52 GLN H H 1 9.026 0.021 . 1 . . . . . . . . 4748 2 364 . 1 1 52 52 GLN HA H 1 5.600 0.014 . 1 . . . . . . . . 4748 2 365 . 1 1 52 52 GLN HB2 H 1 1.709 0.014 . 1 . . . . . . . . 4748 2 366 . 1 1 52 52 GLN HB3 H 1 1.921 0.014 . 1 . . . . . . . . 4748 2 367 . 1 1 52 52 GLN HG2 H 1 2.208 0.014 . 1 . . . . . . . . 4748 2 368 . 1 1 52 52 GLN HG3 H 1 2.113 0.014 . 1 . . . . . . . . 4748 2 369 . 1 1 52 52 GLN HE21 H 1 7.280 0.021 . 1 . . . . . . . . 4748 2 370 . 1 1 52 52 GLN HE22 H 1 6.908 0.021 . 1 . . . . . . . . 4748 2 371 . 1 1 52 52 GLN N N 15 119.088 0.139 . 1 . . . . . . . . 4748 2 372 . 1 1 52 52 GLN NE2 N 15 109.882 0.139 . 1 . . . . . . . . 4748 2 373 . 1 1 53 53 GLN H H 1 9.086 0.021 . 1 . . . . . . . . 4748 2 374 . 1 1 53 53 GLN HA H 1 4.720 0.014 . 1 . . . . . . . . 4748 2 375 . 1 1 53 53 GLN HG2 H 1 2.296 0.014 . 1 . . . . . . . . 4748 2 376 . 1 1 53 53 GLN HG3 H 1 2.296 0.014 . 1 . . . . . . . . 4748 2 377 . 1 1 53 53 GLN HB2 H 1 1.973 0.014 . 1 . . . . . . . . 4748 2 378 . 1 1 53 53 GLN HB3 H 1 2.131 0.014 . 1 . . . . . . . . 4748 2 379 . 1 1 53 53 GLN HE21 H 1 7.466 0.021 . 1 . . . . . . . . 4748 2 380 . 1 1 53 53 GLN HE22 H 1 6.834 0.021 . 1 . . . . . . . . 4748 2 381 . 1 1 53 53 GLN N N 15 121.439 0.139 . 1 . . . . . . . . 4748 2 382 . 1 1 53 53 GLN NE2 N 15 111.297 0.139 . 1 . . . . . . . . 4748 2 383 . 1 1 54 54 VAL H H 1 8.925 0.021 . 1 . . . . . . . . 4748 2 384 . 1 1 54 54 VAL HA H 1 4.313 0.014 . 1 . . . . . . . . 4748 2 385 . 1 1 54 54 VAL HG11 H 1 1.051 0.014 . 1 . . . . . . . . 4748 2 386 . 1 1 54 54 VAL HG12 H 1 1.051 0.014 . 1 . . . . . . . . 4748 2 387 . 1 1 54 54 VAL HG13 H 1 1.051 0.014 . 1 . . . . . . . . 4748 2 388 . 1 1 54 54 VAL HG21 H 1 1.051 0.014 . 1 . . . . . . . . 4748 2 389 . 1 1 54 54 VAL HG22 H 1 1.051 0.014 . 1 . . . . . . . . 4748 2 390 . 1 1 54 54 VAL HG23 H 1 1.051 0.014 . 1 . . . . . . . . 4748 2 391 . 1 1 54 54 VAL HB H 1 2.120 0.014 . 1 . . . . . . . . 4748 2 392 . 1 1 54 54 VAL N N 15 126.585 0.139 . 1 . . . . . . . . 4748 2 393 . 1 1 55 55 VAL H H 1 8.337 0.021 . 1 . . . . . . . . 4748 2 394 . 1 1 55 55 VAL HA H 1 4.433 0.014 . 1 . . . . . . . . 4748 2 395 . 1 1 55 55 VAL HG11 H 1 0.832 0.014 . 2 . . . . . . . . 4748 2 396 . 1 1 55 55 VAL HG12 H 1 0.832 0.014 . 2 . . . . . . . . 4748 2 397 . 1 1 55 55 VAL HG13 H 1 0.832 0.014 . 2 . . . . . . . . 4748 2 398 . 1 1 55 55 VAL HG21 H 1 0.737 0.014 . 2 . . . . . . . . 4748 2 399 . 1 1 55 55 VAL HG22 H 1 0.737 0.014 . 2 . . . . . . . . 4748 2 400 . 1 1 55 55 VAL HG23 H 1 0.737 0.014 . 2 . . . . . . . . 4748 2 401 . 1 1 55 55 VAL HB H 1 2.227 0.014 . 1 . . . . . . . . 4748 2 402 . 1 1 55 55 VAL N N 15 128.322 0.139 . 1 . . . . . . . . 4748 2 403 . 1 1 56 56 ALA H H 1 8.076 0.021 . 1 . . . . . . . . 4748 2 404 . 1 1 56 56 ALA HA H 1 4.775 0.014 . 1 . . . . . . . . 4748 2 405 . 1 1 56 56 ALA HB1 H 1 1.644 0.014 . 1 . . . . . . . . 4748 2 406 . 1 1 56 56 ALA HB2 H 1 1.644 0.014 . 1 . . . . . . . . 4748 2 407 . 1 1 56 56 ALA HB3 H 1 1.644 0.014 . 1 . . . . . . . . 4748 2 408 . 1 1 56 56 ALA N N 15 128.473 0.139 . 1 . . . . . . . . 4748 2 409 . 1 1 57 57 GLY H H 1 8.083 0.021 . 1 . . . . . . . . 4748 2 410 . 1 1 57 57 GLY HA2 H 1 4.925 0.014 . 1 . . . . . . . . 4748 2 411 . 1 1 57 57 GLY HA3 H 1 4.175 0.014 . 1 . . . . . . . . 4748 2 412 . 1 1 57 57 GLY N N 15 108.327 0.139 . 1 . . . . . . . . 4748 2 413 . 1 1 58 58 THR H H 1 8.998 0.021 . 1 . . . . . . . . 4748 2 414 . 1 1 58 58 THR HA H 1 4.916 0.014 . 1 . . . . . . . . 4748 2 415 . 1 1 58 58 THR HG21 H 1 0.452 0.014 . 1 . . . . . . . . 4748 2 416 . 1 1 58 58 THR HG22 H 1 0.452 0.014 . 1 . . . . . . . . 4748 2 417 . 1 1 58 58 THR HG23 H 1 0.452 0.014 . 1 . . . . . . . . 4748 2 418 . 1 1 58 58 THR HB H 1 3.796 0.014 . 1 . . . . . . . . 4748 2 419 . 1 1 58 58 THR N N 15 117.113 0.139 . 1 . . . . . . . . 4748 2 420 . 1 1 59 59 LEU H H 1 9.004 0.021 . 1 . . . . . . . . 4748 2 421 . 1 1 59 59 LEU HA H 1 5.030 0.014 . 1 . . . . . . . . 4748 2 422 . 1 1 59 59 LEU HD11 H 1 0.614 0.014 . 1 . . . . . . . . 4748 2 423 . 1 1 59 59 LEU HD12 H 1 0.614 0.014 . 1 . . . . . . . . 4748 2 424 . 1 1 59 59 LEU HD13 H 1 0.614 0.014 . 1 . . . . . . . . 4748 2 425 . 1 1 59 59 LEU HD21 H 1 0.614 0.014 . 1 . . . . . . . . 4748 2 426 . 1 1 59 59 LEU HD22 H 1 0.614 0.014 . 1 . . . . . . . . 4748 2 427 . 1 1 59 59 LEU HD23 H 1 0.614 0.014 . 1 . . . . . . . . 4748 2 428 . 1 1 59 59 LEU HB2 H 1 1.325 0.014 . 1 . . . . . . . . 4748 2 429 . 1 1 59 59 LEU HB3 H 1 1.440 0.014 . 1 . . . . . . . . 4748 2 430 . 1 1 59 59 LEU HG H 1 1.180 0.014 . 1 . . . . . . . . 4748 2 431 . 1 1 59 59 LEU N N 15 128.273 0.139 . 1 . . . . . . . . 4748 2 432 . 1 1 60 60 TYR H H 1 9.318 0.021 . 1 . . . . . . . . 4748 2 433 . 1 1 60 60 TYR HA H 1 4.786 0.014 . 1 . . . . . . . . 4748 2 434 . 1 1 60 60 TYR HD1 H 1 6.804 0.014 . 1 . . . . . . . . 4748 2 435 . 1 1 60 60 TYR HD2 H 1 6.804 0.014 . 1 . . . . . . . . 4748 2 436 . 1 1 60 60 TYR HE1 H 1 6.804 0.014 . 1 . . . . . . . . 4748 2 437 . 1 1 60 60 TYR HE2 H 1 6.804 0.014 . 1 . . . . . . . . 4748 2 438 . 1 1 60 60 TYR HB2 H 1 2.150 0.014 . 1 . . . . . . . . 4748 2 439 . 1 1 60 60 TYR HB3 H 1 1.674 0.014 . 1 . . . . . . . . 4748 2 440 . 1 1 60 60 TYR N N 15 122.701 0.139 . 1 . . . . . . . . 4748 2 441 . 1 1 61 61 TYR H H 1 8.975 0.021 . 1 . . . . . . . . 4748 2 442 . 1 1 61 61 TYR HA H 1 5.096 0.014 . 1 . . . . . . . . 4748 2 443 . 1 1 61 61 TYR HB2 H 1 2.870 0.014 . 1 . . . . . . . . 4748 2 444 . 1 1 61 61 TYR HB3 H 1 2.870 0.014 . 1 . . . . . . . . 4748 2 445 . 1 1 61 61 TYR HD1 H 1 6.994 0.014 . 1 . . . . . . . . 4748 2 446 . 1 1 61 61 TYR HD2 H 1 6.994 0.014 . 1 . . . . . . . . 4748 2 447 . 1 1 61 61 TYR HE1 H 1 6.662 0.014 . 1 . . . . . . . . 4748 2 448 . 1 1 61 61 TYR HE2 H 1 6.662 0.014 . 1 . . . . . . . . 4748 2 449 . 1 1 61 61 TYR N N 15 119.877 0.139 . 1 . . . . . . . . 4748 2 450 . 1 1 62 62 PHE H H 1 9.577 0.021 . 1 . . . . . . . . 4748 2 451 . 1 1 62 62 PHE HA H 1 5.812 0.014 . 1 . . . . . . . . 4748 2 452 . 1 1 62 62 PHE HD1 H 1 7.257 0.014 . 1 . . . . . . . . 4748 2 453 . 1 1 62 62 PHE HD2 H 1 7.257 0.014 . 1 . . . . . . . . 4748 2 454 . 1 1 62 62 PHE HE1 H 1 7.010 0.014 . 1 . . . . . . . . 4748 2 455 . 1 1 62 62 PHE HE2 H 1 7.010 0.014 . 1 . . . . . . . . 4748 2 456 . 1 1 62 62 PHE HB2 H 1 2.969 0.014 . 1 . . . . . . . . 4748 2 457 . 1 1 62 62 PHE HB3 H 1 3.163 0.014 . 1 . . . . . . . . 4748 2 458 . 1 1 62 62 PHE HZ H 1 6.714 0.014 . 1 . . . . . . . . 4748 2 459 . 1 1 62 62 PHE N N 15 123.204 0.139 . 1 . . . . . . . . 4748 2 460 . 1 1 63 63 THR H H 1 8.861 0.021 . 1 . . . . . . . . 4748 2 461 . 1 1 63 63 THR HA H 1 5.156 0.014 . 1 . . . . . . . . 4748 2 462 . 1 1 63 63 THR HG21 H 1 1.135 0.014 . 1 . . . . . . . . 4748 2 463 . 1 1 63 63 THR HG22 H 1 1.135 0.014 . 1 . . . . . . . . 4748 2 464 . 1 1 63 63 THR HG23 H 1 1.135 0.014 . 1 . . . . . . . . 4748 2 465 . 1 1 63 63 THR HB H 1 4.138 0.014 . 1 . . . . . . . . 4748 2 466 . 1 1 63 63 THR N N 15 119.062 0.139 . 1 . . . . . . . . 4748 2 467 . 1 1 64 64 ILE H H 1 9.821 0.021 . 1 . . . . . . . . 4748 2 468 . 1 1 64 64 ILE HA H 1 4.596 0.014 . 1 . . . . . . . . 4748 2 469 . 1 1 64 64 ILE HG12 H 1 1.130 0.014 . 1 . . . . . . . . 4748 2 470 . 1 1 64 64 ILE HG13 H 1 1.130 0.014 . 1 . . . . . . . . 4748 2 471 . 1 1 64 64 ILE HG21 H 1 0.939 0.014 . 1 . . . . . . . . 4748 2 472 . 1 1 64 64 ILE HG22 H 1 0.939 0.014 . 1 . . . . . . . . 4748 2 473 . 1 1 64 64 ILE HG23 H 1 0.939 0.014 . 1 . . . . . . . . 4748 2 474 . 1 1 64 64 ILE HD11 H 1 0.853 0.014 . 1 . . . . . . . . 4748 2 475 . 1 1 64 64 ILE HD12 H 1 0.853 0.014 . 1 . . . . . . . . 4748 2 476 . 1 1 64 64 ILE HD13 H 1 0.853 0.014 . 1 . . . . . . . . 4748 2 477 . 1 1 64 64 ILE HB H 1 1.554 0.014 . 1 . . . . . . . . 4748 2 478 . 1 1 64 64 ILE N N 15 127.771 0.139 . 1 . . . . . . . . 4748 2 479 . 1 1 65 65 GLU H H 1 9.294 0.021 . 1 . . . . . . . . 4748 2 480 . 1 1 65 65 GLU HA H 1 5.159 0.014 . 1 . . . . . . . . 4748 2 481 . 1 1 65 65 GLU HG2 H 1 1.681 0.014 . 1 . . . . . . . . 4748 2 482 . 1 1 65 65 GLU HG3 H 1 1.681 0.014 . 1 . . . . . . . . 4748 2 483 . 1 1 65 65 GLU HB2 H 1 1.878 0.014 . 1 . . . . . . . . 4748 2 484 . 1 1 65 65 GLU HB3 H 1 1.975 0.014 . 1 . . . . . . . . 4748 2 485 . 1 1 65 65 GLU N N 15 126.888 0.139 . 1 . . . . . . . . 4748 2 486 . 1 1 66 66 VAL H H 1 9.290 0.021 . 1 . . . . . . . . 4748 2 487 . 1 1 66 66 VAL HA H 1 5.158 0.014 . 1 . . . . . . . . 4748 2 488 . 1 1 66 66 VAL HG11 H 1 0.869 0.014 . 2 . . . . . . . . 4748 2 489 . 1 1 66 66 VAL HG12 H 1 0.869 0.014 . 2 . . . . . . . . 4748 2 490 . 1 1 66 66 VAL HG13 H 1 0.869 0.014 . 2 . . . . . . . . 4748 2 491 . 1 1 66 66 VAL HG21 H 1 0.975 0.014 . 2 . . . . . . . . 4748 2 492 . 1 1 66 66 VAL HG22 H 1 0.975 0.014 . 2 . . . . . . . . 4748 2 493 . 1 1 66 66 VAL HG23 H 1 0.975 0.014 . 2 . . . . . . . . 4748 2 494 . 1 1 66 66 VAL HB H 1 2.121 0.014 . 1 . . . . . . . . 4748 2 495 . 1 1 66 66 VAL N N 15 120.411 0.139 . 1 . . . . . . . . 4748 2 496 . 1 1 67 67 LYS H H 1 9.181 0.021 . 1 . . . . . . . . 4748 2 497 . 1 1 67 67 LYS HA H 1 5.028 0.014 . 1 . . . . . . . . 4748 2 498 . 1 1 67 67 LYS HG2 H 1 1.296 0.014 . 1 . . . . . . . . 4748 2 499 . 1 1 67 67 LYS HG3 H 1 1.296 0.014 . 1 . . . . . . . . 4748 2 500 . 1 1 67 67 LYS HD2 H 1 1.606 0.014 . 1 . . . . . . . . 4748 2 501 . 1 1 67 67 LYS HD3 H 1 1.606 0.014 . 1 . . . . . . . . 4748 2 502 . 1 1 67 67 LYS HB2 H 1 1.830 0.014 . 1 . . . . . . . . 4748 2 503 . 1 1 67 67 LYS HB3 H 1 1.708 0.014 . 1 . . . . . . . . 4748 2 504 . 1 1 67 67 LYS N N 15 120.201 0.139 . 1 . . . . . . . . 4748 2 505 . 1 1 68 68 GLU H H 1 8.882 0.021 . 1 . . . . . . . . 4748 2 506 . 1 1 68 68 GLU HA H 1 4.564 0.014 . 1 . . . . . . . . 4748 2 507 . 1 1 68 68 GLU HG2 H 1 1.797 0.014 . 1 . . . . . . . . 4748 2 508 . 1 1 68 68 GLU HG3 H 1 1.797 0.014 . 1 . . . . . . . . 4748 2 509 . 1 1 68 68 GLU HB2 H 1 2.071 0.014 . 1 . . . . . . . . 4748 2 510 . 1 1 68 68 GLU HB3 H 1 1.992 0.014 . 1 . . . . . . . . 4748 2 511 . 1 1 68 68 GLU N N 15 128.092 0.139 . 1 . . . . . . . . 4748 2 512 . 1 1 69 69 GLY H H 1 9.113 0.021 . 1 . . . . . . . . 4748 2 513 . 1 1 69 69 GLY HA2 H 1 4.034 0.014 . 1 . . . . . . . . 4748 2 514 . 1 1 69 69 GLY HA3 H 1 3.671 0.014 . 1 . . . . . . . . 4748 2 515 . 1 1 69 69 GLY N N 15 117.932 0.139 . 1 . . . . . . . . 4748 2 516 . 1 1 70 70 ASP H H 1 8.750 0.021 . 1 . . . . . . . . 4748 2 517 . 1 1 70 70 ASP HA H 1 4.678 0.014 . 1 . . . . . . . . 4748 2 518 . 1 1 70 70 ASP HB2 H 1 2.663 0.014 . 1 . . . . . . . . 4748 2 519 . 1 1 70 70 ASP HB3 H 1 2.789 0.014 . 1 . . . . . . . . 4748 2 520 . 1 1 70 70 ASP N N 15 125.022 0.139 . 1 . . . . . . . . 4748 2 521 . 1 1 71 71 ALA H H 1 7.825 0.021 . 1 . . . . . . . . 4748 2 522 . 1 1 71 71 ALA HA H 1 4.674 0.014 . 1 . . . . . . . . 4748 2 523 . 1 1 71 71 ALA HB1 H 1 1.489 0.014 . 1 . . . . . . . . 4748 2 524 . 1 1 71 71 ALA HB2 H 1 1.489 0.014 . 1 . . . . . . . . 4748 2 525 . 1 1 71 71 ALA HB3 H 1 1.489 0.014 . 1 . . . . . . . . 4748 2 526 . 1 1 71 71 ALA N N 15 122.703 0.139 . 1 . . . . . . . . 4748 2 527 . 1 1 72 72 LYS H H 1 8.348 0.021 . 1 . . . . . . . . 4748 2 528 . 1 1 72 72 LYS HA H 1 5.316 0.014 . 1 . . . . . . . . 4748 2 529 . 1 1 72 72 LYS HB2 H 1 1.708 0.014 . 1 . . . . . . . . 4748 2 530 . 1 1 72 72 LYS HB3 H 1 1.708 0.014 . 1 . . . . . . . . 4748 2 531 . 1 1 72 72 LYS HG2 H 1 1.221 0.014 . 1 . . . . . . . . 4748 2 532 . 1 1 72 72 LYS HG3 H 1 1.221 0.014 . 1 . . . . . . . . 4748 2 533 . 1 1 72 72 LYS HD2 H 1 1.627 0.014 . 1 . . . . . . . . 4748 2 534 . 1 1 72 72 LYS HD3 H 1 1.627 0.014 . 1 . . . . . . . . 4748 2 535 . 1 1 72 72 LYS N N 15 120.022 0.139 . 1 . . . . . . . . 4748 2 536 . 1 1 73 73 LYS H H 1 9.005 0.021 . 1 . . . . . . . . 4748 2 537 . 1 1 73 73 LYS HA H 1 4.735 0.014 . 1 . . . . . . . . 4748 2 538 . 1 1 73 73 LYS HB2 H 1 1.888 0.014 . 1 . . . . . . . . 4748 2 539 . 1 1 73 73 LYS HB3 H 1 1.888 0.014 . 1 . . . . . . . . 4748 2 540 . 1 1 73 73 LYS HD2 H 1 1.656 0.014 . 1 . . . . . . . . 4748 2 541 . 1 1 73 73 LYS HD3 H 1 1.656 0.014 . 1 . . . . . . . . 4748 2 542 . 1 1 73 73 LYS HG2 H 1 1.494 0.014 . 1 . . . . . . . . 4748 2 543 . 1 1 73 73 LYS HG3 H 1 1.321 0.014 . 1 . . . . . . . . 4748 2 544 . 1 1 73 73 LYS N N 15 122.687 0.139 . 1 . . . . . . . . 4748 2 545 . 1 1 74 74 LEU H H 1 8.306 0.021 . 1 . . . . . . . . 4748 2 546 . 1 1 74 74 LEU HA H 1 5.433 0.014 . 1 . . . . . . . . 4748 2 547 . 1 1 74 74 LEU HB2 H 1 1.838 0.014 . 1 . . . . . . . . 4748 2 548 . 1 1 74 74 LEU HB3 H 1 1.838 0.014 . 1 . . . . . . . . 4748 2 549 . 1 1 74 74 LEU HD11 H 1 1.148 0.014 . 1 . . . . . . . . 4748 2 550 . 1 1 74 74 LEU HD12 H 1 1.148 0.014 . 1 . . . . . . . . 4748 2 551 . 1 1 74 74 LEU HD13 H 1 1.148 0.014 . 1 . . . . . . . . 4748 2 552 . 1 1 74 74 LEU HD21 H 1 1.148 0.014 . 1 . . . . . . . . 4748 2 553 . 1 1 74 74 LEU HD22 H 1 1.148 0.014 . 1 . . . . . . . . 4748 2 554 . 1 1 74 74 LEU HD23 H 1 1.148 0.014 . 1 . . . . . . . . 4748 2 555 . 1 1 74 74 LEU HG H 1 1.642 0.014 . 1 . . . . . . . . 4748 2 556 . 1 1 74 74 LEU N N 15 120.355 0.139 . 1 . . . . . . . . 4748 2 557 . 1 1 75 75 TYR H H 1 9.289 0.021 . 1 . . . . . . . . 4748 2 558 . 1 1 75 75 TYR HA H 1 4.762 0.014 . 1 . . . . . . . . 4748 2 559 . 1 1 75 75 TYR HD1 H 1 6.452 0.014 . 1 . . . . . . . . 4748 2 560 . 1 1 75 75 TYR HD2 H 1 6.452 0.014 . 1 . . . . . . . . 4748 2 561 . 1 1 75 75 TYR HE1 H 1 6.615 0.014 . 1 . . . . . . . . 4748 2 562 . 1 1 75 75 TYR HE2 H 1 6.615 0.014 . 1 . . . . . . . . 4748 2 563 . 1 1 75 75 TYR HB2 H 1 2.017 0.014 . 1 . . . . . . . . 4748 2 564 . 1 1 75 75 TYR HB3 H 1 1.642 0.014 . 1 . . . . . . . . 4748 2 565 . 1 1 75 75 TYR N N 15 122.478 0.139 . 1 . . . . . . . . 4748 2 566 . 1 1 76 76 GLU H H 1 9.423 0.021 . 1 . . . . . . . . 4748 2 567 . 1 1 76 76 GLU HA H 1 5.446 0.014 . 1 . . . . . . . . 4748 2 568 . 1 1 76 76 GLU HG2 H 1 2.094 0.014 . 1 . . . . . . . . 4748 2 569 . 1 1 76 76 GLU HG3 H 1 2.094 0.014 . 1 . . . . . . . . 4748 2 570 . 1 1 76 76 GLU HB2 H 1 1.815 0.014 . 1 . . . . . . . . 4748 2 571 . 1 1 76 76 GLU HB3 H 1 1.921 0.014 . 1 . . . . . . . . 4748 2 572 . 1 1 76 76 GLU N N 15 119.684 0.139 . 1 . . . . . . . . 4748 2 573 . 1 1 77 77 ALA H H 1 9.305 0.021 . 1 . . . . . . . . 4748 2 574 . 1 1 77 77 ALA HA H 1 5.504 0.014 . 1 . . . . . . . . 4748 2 575 . 1 1 77 77 ALA HB1 H 1 1.512 0.014 . 1 . . . . . . . . 4748 2 576 . 1 1 77 77 ALA HB2 H 1 1.512 0.014 . 1 . . . . . . . . 4748 2 577 . 1 1 77 77 ALA HB3 H 1 1.512 0.014 . 1 . . . . . . . . 4748 2 578 . 1 1 77 77 ALA N N 15 125.441 0.139 . 1 . . . . . . . . 4748 2 579 . 1 1 78 78 LYS H H 1 8.592 0.021 . 1 . . . . . . . . 4748 2 580 . 1 1 78 78 LYS HA H 1 5.548 0.014 . 1 . . . . . . . . 4748 2 581 . 1 1 78 78 LYS HB2 H 1 1.518 0.014 . 1 . . . . . . . . 4748 2 582 . 1 1 78 78 LYS HB3 H 1 1.518 0.014 . 1 . . . . . . . . 4748 2 583 . 1 1 78 78 LYS HG2 H 1 0.963 0.014 . 1 . . . . . . . . 4748 2 584 . 1 1 78 78 LYS HG3 H 1 0.903 0.014 . 1 . . . . . . . . 4748 2 585 . 1 1 78 78 LYS HD2 H 1 1.652 0.014 . 2 . . . . . . . . 4748 2 586 . 1 1 78 78 LYS HD3 H 1 1.635 0.014 . 2 . . . . . . . . 4748 2 587 . 1 1 78 78 LYS N N 15 123.005 0.139 . 1 . . . . . . . . 4748 2 588 . 1 1 79 79 VAL H H 1 9.149 0.021 . 1 . . . . . . . . 4748 2 589 . 1 1 79 79 VAL HA H 1 5.101 0.014 . 1 . . . . . . . . 4748 2 590 . 1 1 79 79 VAL HG11 H 1 1.070 0.014 . 2 . . . . . . . . 4748 2 591 . 1 1 79 79 VAL HG12 H 1 1.070 0.014 . 2 . . . . . . . . 4748 2 592 . 1 1 79 79 VAL HG13 H 1 1.070 0.014 . 2 . . . . . . . . 4748 2 593 . 1 1 79 79 VAL HG21 H 1 1.248 0.014 . 2 . . . . . . . . 4748 2 594 . 1 1 79 79 VAL HG22 H 1 1.248 0.014 . 2 . . . . . . . . 4748 2 595 . 1 1 79 79 VAL HG23 H 1 1.248 0.014 . 2 . . . . . . . . 4748 2 596 . 1 1 79 79 VAL HB H 1 2.033 0.014 . 1 . . . . . . . . 4748 2 597 . 1 1 79 79 VAL N N 15 126.674 0.139 . 1 . . . . . . . . 4748 2 598 . 1 1 80 80 TRP H H 1 9.227 0.021 . 1 . . . . . . . . 4748 2 599 . 1 1 80 80 TRP HA H 1 5.845 0.014 . 1 . . . . . . . . 4748 2 600 . 1 1 80 80 TRP HZ3 H 1 7.236 0.014 . 1 . . . . . . . . 4748 2 601 . 1 1 80 80 TRP HB2 H 1 2.919 0.014 . 1 . . . . . . . . 4748 2 602 . 1 1 80 80 TRP HB3 H 1 3.574 0.014 . 1 . . . . . . . . 4748 2 603 . 1 1 80 80 TRP HD1 H 1 7.174 0.014 . 1 . . . . . . . . 4748 2 604 . 1 1 80 80 TRP HE1 H 1 10.402 0.014 . 1 . . . . . . . . 4748 2 605 . 1 1 80 80 TRP HE3 H 1 7.802 0.014 . 1 . . . . . . . . 4748 2 606 . 1 1 80 80 TRP HH2 H 1 7.208 0.014 . 1 . . . . . . . . 4748 2 607 . 1 1 80 80 TRP HZ2 H 1 7.579 0.014 . 1 . . . . . . . . 4748 2 608 . 1 1 80 80 TRP N N 15 129.507 0.139 . 1 . . . . . . . . 4748 2 609 . 1 1 80 80 TRP NE1 N 15 128.257 0.139 . 1 . . . . . . . . 4748 2 610 . 1 1 81 81 GLU H H 1 9.558 0.021 . 1 . . . . . . . . 4748 2 611 . 1 1 81 81 GLU HA H 1 5.093 0.014 . 1 . . . . . . . . 4748 2 612 . 1 1 81 81 GLU HB2 H 1 2.424 0.014 . 1 . . . . . . . . 4748 2 613 . 1 1 81 81 GLU HB3 H 1 2.424 0.014 . 1 . . . . . . . . 4748 2 614 . 1 1 81 81 GLU HG2 H 1 1.816 0.014 . 1 . . . . . . . . 4748 2 615 . 1 1 81 81 GLU HG3 H 1 1.816 0.014 . 1 . . . . . . . . 4748 2 616 . 1 1 81 81 GLU N N 15 127.242 0.139 . 1 . . . . . . . . 4748 2 617 . 1 1 82 82 LYS H H 1 8.167 0.021 . 1 . . . . . . . . 4748 2 618 . 1 1 82 82 LYS HA H 1 4.354 0.014 . 1 . . . . . . . . 4748 2 619 . 1 1 82 82 LYS HG2 H 1 -0.365 0.014 . 1 . . . . . . . . 4748 2 620 . 1 1 82 82 LYS HG3 H 1 -0.365 0.014 . 1 . . . . . . . . 4748 2 621 . 1 1 82 82 LYS HD2 H 1 0.280 0.014 . 1 . . . . . . . . 4748 2 622 . 1 1 82 82 LYS HE2 H 1 1.090 0.014 . 1 . . . . . . . . 4748 2 623 . 1 1 82 82 LYS HD3 H 1 0.280 0.014 . 1 . . . . . . . . 4748 2 624 . 1 1 82 82 LYS HE3 H 1 1.090 0.014 . 1 . . . . . . . . 4748 2 625 . 1 1 82 82 LYS HB2 H 1 0.996 0.014 . 1 . . . . . . . . 4748 2 626 . 1 1 82 82 LYS HB3 H 1 1.090 0.014 . 1 . . . . . . . . 4748 2 627 . 1 1 82 82 LYS N N 15 122.403 0.139 . 1 . . . . . . . . 4748 2 628 . 1 1 83 83 PRO HA H 1 4.355 0.014 . 1 . . . . . . . . 4748 2 629 . 1 1 83 83 PRO HG2 H 1 2.057 0.014 . 1 . . . . . . . . 4748 2 630 . 1 1 83 83 PRO HG3 H 1 2.057 0.014 . 1 . . . . . . . . 4748 2 631 . 1 1 83 83 PRO HB2 H 1 2.329 0.014 . 1 . . . . . . . . 4748 2 632 . 1 1 83 83 PRO HB3 H 1 2.177 0.014 . 1 . . . . . . . . 4748 2 633 . 1 1 83 83 PRO HD2 H 1 4.028 0.014 . 1 . . . . . . . . 4748 2 634 . 1 1 83 83 PRO HD3 H 1 3.662 0.014 . 1 . . . . . . . . 4748 2 635 . 1 1 84 84 TRP H H 1 7.023 0.021 . 1 . . . . . . . . 4748 2 636 . 1 1 84 84 TRP HA H 1 4.643 0.014 . 1 . . . . . . . . 4748 2 637 . 1 1 84 84 TRP HB2 H 1 3.410 0.014 . 1 . . . . . . . . 4748 2 638 . 1 1 84 84 TRP HB3 H 1 3.410 0.014 . 1 . . . . . . . . 4748 2 639 . 1 1 84 84 TRP HZ3 H 1 7.352 0.014 . 1 . . . . . . . . 4748 2 640 . 1 1 84 84 TRP HD1 H 1 7.156 0.014 . 1 . . . . . . . . 4748 2 641 . 1 1 84 84 TRP HE1 H 1 10.519 0.014 . 1 . . . . . . . . 4748 2 642 . 1 1 84 84 TRP HE3 H 1 7.838 0.014 . 1 . . . . . . . . 4748 2 643 . 1 1 84 84 TRP HH2 H 1 7.184 0.014 . 1 . . . . . . . . 4748 2 644 . 1 1 84 84 TRP HZ2 H 1 7.525 0.014 . 1 . . . . . . . . 4748 2 645 . 1 1 84 84 TRP N N 15 114.394 0.139 . 1 . . . . . . . . 4748 2 646 . 1 1 84 84 TRP NE1 N 15 131.829 0.139 . 1 . . . . . . . . 4748 2 647 . 1 1 85 85 MET H H 1 6.728 0.021 . 1 . . . . . . . . 4748 2 648 . 1 1 85 85 MET HA H 1 4.723 0.014 . 1 . . . . . . . . 4748 2 649 . 1 1 85 85 MET HB2 H 1 1.357 0.014 . 1 . . . . . . . . 4748 2 650 . 1 1 85 85 MET HB3 H 1 1.357 0.014 . 1 . . . . . . . . 4748 2 651 . 1 1 85 85 MET HG2 H 1 1.885 0.014 . 1 . . . . . . . . 4748 2 652 . 1 1 85 85 MET HG3 H 1 1.778 0.014 . 1 . . . . . . . . 4748 2 653 . 1 1 85 85 MET N N 15 116.503 0.139 . 1 . . . . . . . . 4748 2 654 . 1 1 86 86 ASP H H 1 7.720 0.021 . 1 . . . . . . . . 4748 2 655 . 1 1 86 86 ASP HA H 1 4.200 0.014 . 1 . . . . . . . . 4748 2 656 . 1 1 86 86 ASP HB2 H 1 2.939 0.014 . 1 . . . . . . . . 4748 2 657 . 1 1 86 86 ASP HB3 H 1 2.444 0.014 . 1 . . . . . . . . 4748 2 658 . 1 1 86 86 ASP N N 15 118.262 0.139 . 1 . . . . . . . . 4748 2 659 . 1 1 87 87 PHE H H 1 6.826 0.021 . 1 . . . . . . . . 4748 2 660 . 1 1 87 87 PHE HA H 1 4.744 0.014 . 1 . . . . . . . . 4748 2 661 . 1 1 87 87 PHE HD1 H 1 6.684 0.014 . 1 . . . . . . . . 4748 2 662 . 1 1 87 87 PHE HD2 H 1 6.684 0.014 . 1 . . . . . . . . 4748 2 663 . 1 1 87 87 PHE HE1 H 1 6.844 0.014 . 1 . . . . . . . . 4748 2 664 . 1 1 87 87 PHE HE2 H 1 6.844 0.014 . 1 . . . . . . . . 4748 2 665 . 1 1 87 87 PHE HB2 H 1 2.699 0.014 . 1 . . . . . . . . 4748 2 666 . 1 1 87 87 PHE HB3 H 1 2.424 0.014 . 1 . . . . . . . . 4748 2 667 . 1 1 87 87 PHE HZ H 1 7.212 0.014 . 1 . . . . . . . . 4748 2 668 . 1 1 87 87 PHE N N 15 116.379 0.139 . 1 . . . . . . . . 4748 2 669 . 1 1 88 88 LYS H H 1 7.615 0.021 . 1 . . . . . . . . 4748 2 670 . 1 1 88 88 LYS HA H 1 4.908 0.014 . 1 . . . . . . . . 4748 2 671 . 1 1 88 88 LYS HD2 H 1 0.316 0.014 . 1 . . . . . . . . 4748 2 672 . 1 1 88 88 LYS HD3 H 1 0.316 0.014 . 1 . . . . . . . . 4748 2 673 . 1 1 88 88 LYS HB2 H 1 1.267 0.014 . 1 . . . . . . . . 4748 2 674 . 1 1 88 88 LYS HB3 H 1 0.816 0.014 . 1 . . . . . . . . 4748 2 675 . 1 1 88 88 LYS HG2 H 1 0.888 0.014 . 1 . . . . . . . . 4748 2 676 . 1 1 88 88 LYS HG3 H 1 0.438 0.014 . 1 . . . . . . . . 4748 2 677 . 1 1 88 88 LYS N N 15 125.803 0.139 . 1 . . . . . . . . 4748 2 678 . 1 1 89 89 GLU H H 1 8.773 0.021 . 1 . . . . . . . . 4748 2 679 . 1 1 89 89 GLU HA H 1 4.728 0.014 . 1 . . . . . . . . 4748 2 680 . 1 1 89 89 GLU HG2 H 1 2.269 0.014 . 1 . . . . . . . . 4748 2 681 . 1 1 89 89 GLU HG3 H 1 2.269 0.014 . 1 . . . . . . . . 4748 2 682 . 1 1 89 89 GLU HB2 H 1 1.935 0.014 . 1 . . . . . . . . 4748 2 683 . 1 1 89 89 GLU HB3 H 1 2.136 0.014 . 1 . . . . . . . . 4748 2 684 . 1 1 89 89 GLU N N 15 118.529 0.139 . 1 . . . . . . . . 4748 2 685 . 1 1 90 90 LEU H H 1 9.557 0.021 . 1 . . . . . . . . 4748 2 686 . 1 1 90 90 LEU HA H 1 4.823 0.014 . 1 . . . . . . . . 4748 2 687 . 1 1 90 90 LEU HB2 H 1 2.081 0.014 . 1 . . . . . . . . 4748 2 688 . 1 1 90 90 LEU HB3 H 1 2.081 0.014 . 1 . . . . . . . . 4748 2 689 . 1 1 90 90 LEU HD11 H 1 1.318 0.014 . 2 . . . . . . . . 4748 2 690 . 1 1 90 90 LEU HD12 H 1 1.318 0.014 . 2 . . . . . . . . 4748 2 691 . 1 1 90 90 LEU HD13 H 1 1.318 0.014 . 2 . . . . . . . . 4748 2 692 . 1 1 90 90 LEU HD21 H 1 1.000 0.014 . 2 . . . . . . . . 4748 2 693 . 1 1 90 90 LEU HD22 H 1 1.000 0.014 . 2 . . . . . . . . 4748 2 694 . 1 1 90 90 LEU HD23 H 1 1.000 0.014 . 2 . . . . . . . . 4748 2 695 . 1 1 90 90 LEU HG H 1 1.937 0.014 . 1 . . . . . . . . 4748 2 696 . 1 1 90 90 LEU N N 15 128.518 0.139 . 1 . . . . . . . . 4748 2 697 . 1 1 91 91 GLN H H 1 9.381 0.021 . 1 . . . . . . . . 4748 2 698 . 1 1 91 91 GLN HA H 1 4.667 0.014 . 1 . . . . . . . . 4748 2 699 . 1 1 91 91 GLN HB2 H 1 1.799 0.014 . 1 . . . . . . . . 4748 2 700 . 1 1 91 91 GLN HB3 H 1 1.799 0.014 . 1 . . . . . . . . 4748 2 701 . 1 1 91 91 GLN HG2 H 1 2.420 0.014 . 1 . . . . . . . . 4748 2 702 . 1 1 91 91 GLN HG3 H 1 2.188 0.014 . 1 . . . . . . . . 4748 2 703 . 1 1 91 91 GLN HE21 H 1 7.768 0.021 . 1 . . . . . . . . 4748 2 704 . 1 1 91 91 GLN HE22 H 1 6.360 0.021 . 1 . . . . . . . . 4748 2 705 . 1 1 91 91 GLN N N 15 126.088 0.139 . 1 . . . . . . . . 4748 2 706 . 1 1 91 91 GLN NE2 N 15 110.469 0.139 . 1 . . . . . . . . 4748 2 707 . 1 1 92 92 GLU H H 1 7.602 0.021 . 1 . . . . . . . . 4748 2 708 . 1 1 92 92 GLU HA H 1 4.650 0.014 . 1 . . . . . . . . 4748 2 709 . 1 1 92 92 GLU HG2 H 1 2.281 0.014 . 1 . . . . . . . . 4748 2 710 . 1 1 92 92 GLU HG3 H 1 2.281 0.014 . 1 . . . . . . . . 4748 2 711 . 1 1 92 92 GLU HB2 H 1 2.106 0.014 . 1 . . . . . . . . 4748 2 712 . 1 1 92 92 GLU HB3 H 1 2.006 0.014 . 1 . . . . . . . . 4748 2 713 . 1 1 92 92 GLU N N 15 115.942 0.139 . 1 . . . . . . . . 4748 2 714 . 1 1 93 93 PHE H H 1 8.992 0.021 . 1 . . . . . . . . 4748 2 715 . 1 1 93 93 PHE HA H 1 5.158 0.014 . 1 . . . . . . . . 4748 2 716 . 1 1 93 93 PHE HD1 H 1 6.519 0.014 . 1 . . . . . . . . 4748 2 717 . 1 1 93 93 PHE HD2 H 1 6.519 0.014 . 1 . . . . . . . . 4748 2 718 . 1 1 93 93 PHE HE1 H 1 6.075 0.014 . 1 . . . . . . . . 4748 2 719 . 1 1 93 93 PHE HE2 H 1 6.075 0.014 . 1 . . . . . . . . 4748 2 720 . 1 1 93 93 PHE HB2 H 1 2.801 0.014 . 1 . . . . . . . . 4748 2 721 . 1 1 93 93 PHE HB3 H 1 3.449 0.014 . 1 . . . . . . . . 4748 2 722 . 1 1 93 93 PHE HZ H 1 6.291 0.014 . 1 . . . . . . . . 4748 2 723 . 1 1 93 93 PHE N N 15 127.439 0.139 . 1 . . . . . . . . 4748 2 724 . 1 1 94 94 LYS H H 1 9.011 0.021 . 1 . . . . . . . . 4748 2 725 . 1 1 94 94 LYS HA H 1 5.271 0.014 . 1 . . . . . . . . 4748 2 726 . 1 1 94 94 LYS HB2 H 1 1.902 0.014 . 1 . . . . . . . . 4748 2 727 . 1 1 94 94 LYS HB3 H 1 1.902 0.014 . 1 . . . . . . . . 4748 2 728 . 1 1 94 94 LYS HG2 H 1 1.434 0.014 . 1 . . . . . . . . 4748 2 729 . 1 1 94 94 LYS HG3 H 1 1.434 0.014 . 1 . . . . . . . . 4748 2 730 . 1 1 94 94 LYS N N 15 125.817 0.139 . 1 . . . . . . . . 4748 2 731 . 1 1 95 95 PRO HA H 1 4.757 0.014 . 1 . . . . . . . . 4748 2 732 . 1 1 95 95 PRO HB2 H 1 1.971 0.014 . 1 . . . . . . . . 4748 2 733 . 1 1 95 95 PRO HB3 H 1 1.971 0.014 . 1 . . . . . . . . 4748 2 734 . 1 1 95 95 PRO HG2 H 1 1.863 0.014 . 1 . . . . . . . . 4748 2 735 . 1 1 95 95 PRO HG3 H 1 1.692 0.014 . 1 . . . . . . . . 4748 2 736 . 1 1 95 95 PRO HD2 H 1 3.946 0.014 . 1 . . . . . . . . 4748 2 737 . 1 1 95 95 PRO HD3 H 1 3.759 0.014 . 1 . . . . . . . . 4748 2 738 . 1 1 96 96 VAL H H 1 7.632 0.021 . 1 . . . . . . . . 4748 2 739 . 1 1 96 96 VAL HA H 1 3.908 0.014 . 1 . . . . . . . . 4748 2 740 . 1 1 96 96 VAL HG11 H 1 0.803 0.014 . 2 . . . . . . . . 4748 2 741 . 1 1 96 96 VAL HG12 H 1 0.803 0.014 . 2 . . . . . . . . 4748 2 742 . 1 1 96 96 VAL HG13 H 1 0.803 0.014 . 2 . . . . . . . . 4748 2 743 . 1 1 96 96 VAL HG21 H 1 0.776 0.014 . 2 . . . . . . . . 4748 2 744 . 1 1 96 96 VAL HG22 H 1 0.776 0.014 . 2 . . . . . . . . 4748 2 745 . 1 1 96 96 VAL HG23 H 1 0.776 0.014 . 2 . . . . . . . . 4748 2 746 . 1 1 96 96 VAL HB H 1 1.784 0.014 . 1 . . . . . . . . 4748 2 747 . 1 1 96 96 VAL N N 15 120.485 0.139 . 1 . . . . . . . . 4748 2 748 . 1 1 97 97 ASP H H 1 8.432 0.021 . 1 . . . . . . . . 4748 2 749 . 1 1 97 97 ASP HA H 1 4.581 0.014 . 1 . . . . . . . . 4748 2 750 . 1 1 97 97 ASP HB2 H 1 2.697 0.014 . 1 . . . . . . . . 4748 2 751 . 1 1 97 97 ASP HB3 H 1 2.565 0.014 . 1 . . . . . . . . 4748 2 752 . 1 1 97 97 ASP N N 15 124.312 0.139 . 1 . . . . . . . . 4748 2 753 . 1 1 98 98 ALA H H 1 8.369 0.021 . 1 . . . . . . . . 4748 2 754 . 1 1 98 98 ALA HA H 1 4.290 0.014 . 1 . . . . . . . . 4748 2 755 . 1 1 98 98 ALA HB1 H 1 1.394 0.014 . 1 . . . . . . . . 4748 2 756 . 1 1 98 98 ALA HB2 H 1 1.394 0.014 . 1 . . . . . . . . 4748 2 757 . 1 1 98 98 ALA HB3 H 1 1.394 0.014 . 1 . . . . . . . . 4748 2 758 . 1 1 98 98 ALA N N 15 125.537 0.139 . 1 . . . . . . . . 4748 2 759 . 1 1 99 99 SER H H 1 8.364 0.021 . 1 . . . . . . . . 4748 2 760 . 1 1 99 99 SER HA H 1 4.374 0.014 . 1 . . . . . . . . 4748 2 761 . 1 1 99 99 SER HB2 H 1 3.887 0.014 . 1 . . . . . . . . 4748 2 762 . 1 1 99 99 SER HB3 H 1 3.887 0.014 . 1 . . . . . . . . 4748 2 763 . 1 1 99 99 SER N N 15 114.595 0.139 . 1 . . . . . . . . 4748 2 764 . 1 1 100 100 ALA H H 1 8.125 0.021 . 1 . . . . . . . . 4748 2 765 . 1 1 100 100 ALA HA H 1 4.367 0.014 . 1 . . . . . . . . 4748 2 766 . 1 1 100 100 ALA HB1 H 1 1.396 0.014 . 1 . . . . . . . . 4748 2 767 . 1 1 100 100 ALA HB2 H 1 1.396 0.014 . 1 . . . . . . . . 4748 2 768 . 1 1 100 100 ALA HB3 H 1 1.396 0.014 . 1 . . . . . . . . 4748 2 769 . 1 1 100 100 ALA N N 15 124.992 0.139 . 1 . . . . . . . . 4748 2 stop_ save_