data_6364 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6364 _Entry.Title ; 1H, 13C 15N chemical shift assignment of Pyrococcus furiosus Protein PF0470: The Northeast Structural Genomics Consortium Target PfR14 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-10-27 _Entry.Accession_date 2004-10-28 _Entry.Last_release_date . _Entry.Original_release_date . _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 Gaohua Liu . . . 6364 2 Rong Xiao . . . 6364 3 David Parish . . . 6364 4 Lichung Ma . . . 6364 5 Dinesh Sukumaran . K. . 6364 6 Thomas Acton . . . 6364 7 Gaetano Montelione . T. . 6364 8 Thomas Szyperski . . . 6364 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6364 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 815 6364 '13C chemical shifts' 415 6364 '15N chemical shifts' 90 6364 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 . . 2008-08-28 . update BMRB 'update entry citation' 6364 2 . . 2005-10-31 . original author 'original release' 6364 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6364 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16027363 _Citation.Full_citation . _Citation.Title 'NMR data collection and analysis protocol for high-throughput protein structure determination' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full . _Citation.Journal_volume 102 _Citation.Journal_issue 30 _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 10487 _Citation.Page_last 10492 _Citation.Year 2005 _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 Gaohua Liu . . . 6364 1 2 Yang Shen . . . 6364 1 3 Hanudatta Atreya . S. . 6364 1 4 David Parish . . . 6364 1 5 Ying Shao . . . 6364 1 6 Dinesh Sukumaran . K. . 6364 1 7 Rong Xiao . . . 6364 1 8 Adelinda Yee . . . 6364 1 9 Alexander Lemak . . . 6364 1 10 Aneerban Bhattacharya . . . 6364 1 11 Thomas Acton . A. . 6364 1 12 Cheryl Arrowsmith . H. . 6364 1 13 Gaetano Montelione . T. . 6364 1 14 Thomas Szyperski . . . 6364 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_molecular_system _Assembly.Sf_category assembly _Assembly.Sf_framecode molecular_system _Assembly.Entry_ID 6364 _Assembly.ID 1 _Assembly.Name 'PF0470 monomer' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6364 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 'Protein PF0470' 1 $Protein_PF0470 . . . native . . . . . 6364 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'PF0470 monomer' system 6364 1 'PF0470 monomer' abbreviation 6364 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Protein_PF0470 _Entity.Sf_category entity _Entity.Sf_framecode Protein_PF0470 _Entity.Entry_ID 6364 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Protein PF0470' _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 ; MKVYRLYLKDEYLEMVKSGK KRIEVRVAYPQLKDIKRGDK IIFNDLIPAEVVEVKKYETF RQVLREEPIDKIFPDKPSFE KALKRFHNMYPKWKEYRYGV LAIKFRVLGRDKE ; _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 113 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1XNE . "Solution Structure Of Pyrococcus Furiosus Protein Pf0470: The Northeast Structural Genomics Consortium Target Pfr14" . . . . . 100.00 113 100.00 100.00 2.39e-72 . . . . 6364 1 2 no GB AAL80594 . "hypothetical protein PF0470 [Pyrococcus furiosus DSM 3638]" . . . . . 100.00 113 100.00 100.00 2.39e-72 . . . . 6364 1 3 no GB AFN03264 . "hypothetical protein PFC_01465 [Pyrococcus furiosus COM1]" . . . . . 100.00 113 100.00 100.00 2.39e-72 . . . . 6364 1 4 no REF NP_578199 . "hypothetical protein PF0470 [Pyrococcus furiosus DSM 3638]" . . . . . 100.00 113 100.00 100.00 2.39e-72 . . . . 6364 1 5 no REF WP_011011587 . "isomerase [Pyrococcus furiosus]" . . . . . 100.00 113 100.00 100.00 2.39e-72 . . . . 6364 1 6 no REF YP_006491556 . "hypothetical protein PFC_01465 [Pyrococcus furiosus COM1]" . . . . . 100.00 113 100.00 100.00 2.39e-72 . . . . 6364 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Protein PF0470' common 6364 1 Protein_PF0470 abbreviation 6364 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 . 6364 1 2 . LYS . 6364 1 3 . VAL . 6364 1 4 . TYR . 6364 1 5 . ARG . 6364 1 6 . LEU . 6364 1 7 . TYR . 6364 1 8 . LEU . 6364 1 9 . LYS . 6364 1 10 . ASP . 6364 1 11 . GLU . 6364 1 12 . TYR . 6364 1 13 . LEU . 6364 1 14 . GLU . 6364 1 15 . MET . 6364 1 16 . VAL . 6364 1 17 . LYS . 6364 1 18 . SER . 6364 1 19 . GLY . 6364 1 20 . LYS . 6364 1 21 . LYS . 6364 1 22 . ARG . 6364 1 23 . ILE . 6364 1 24 . GLU . 6364 1 25 . VAL . 6364 1 26 . ARG . 6364 1 27 . VAL . 6364 1 28 . ALA . 6364 1 29 . TYR . 6364 1 30 . PRO . 6364 1 31 . GLN . 6364 1 32 . LEU . 6364 1 33 . LYS . 6364 1 34 . ASP . 6364 1 35 . ILE . 6364 1 36 . LYS . 6364 1 37 . ARG . 6364 1 38 . GLY . 6364 1 39 . ASP . 6364 1 40 . LYS . 6364 1 41 . ILE . 6364 1 42 . ILE . 6364 1 43 . PHE . 6364 1 44 . ASN . 6364 1 45 . ASP . 6364 1 46 . LEU . 6364 1 47 . ILE . 6364 1 48 . PRO . 6364 1 49 . ALA . 6364 1 50 . GLU . 6364 1 51 . VAL . 6364 1 52 . VAL . 6364 1 53 . GLU . 6364 1 54 . VAL . 6364 1 55 . LYS . 6364 1 56 . LYS . 6364 1 57 . TYR . 6364 1 58 . GLU . 6364 1 59 . THR . 6364 1 60 . PHE . 6364 1 61 . ARG . 6364 1 62 . GLN . 6364 1 63 . VAL . 6364 1 64 . LEU . 6364 1 65 . ARG . 6364 1 66 . GLU . 6364 1 67 . GLU . 6364 1 68 . PRO . 6364 1 69 . ILE . 6364 1 70 . ASP . 6364 1 71 . LYS . 6364 1 72 . ILE . 6364 1 73 . PHE . 6364 1 74 . PRO . 6364 1 75 . ASP . 6364 1 76 . LYS . 6364 1 77 . PRO . 6364 1 78 . SER . 6364 1 79 . PHE . 6364 1 80 . GLU . 6364 1 81 . LYS . 6364 1 82 . ALA . 6364 1 83 . LEU . 6364 1 84 . LYS . 6364 1 85 . ARG . 6364 1 86 . PHE . 6364 1 87 . HIS . 6364 1 88 . ASN . 6364 1 89 . MET . 6364 1 90 . TYR . 6364 1 91 . PRO . 6364 1 92 . LYS . 6364 1 93 . TRP . 6364 1 94 . LYS . 6364 1 95 . GLU . 6364 1 96 . TYR . 6364 1 97 . ARG . 6364 1 98 . TYR . 6364 1 99 . GLY . 6364 1 100 . VAL . 6364 1 101 . LEU . 6364 1 102 . ALA . 6364 1 103 . ILE . 6364 1 104 . LYS . 6364 1 105 . PHE . 6364 1 106 . ARG . 6364 1 107 . VAL . 6364 1 108 . LEU . 6364 1 109 . GLY . 6364 1 110 . ARG . 6364 1 111 . ASP . 6364 1 112 . LYS . 6364 1 113 . GLU . 6364 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 6364 1 . LYS 2 2 6364 1 . VAL 3 3 6364 1 . TYR 4 4 6364 1 . ARG 5 5 6364 1 . LEU 6 6 6364 1 . TYR 7 7 6364 1 . LEU 8 8 6364 1 . LYS 9 9 6364 1 . ASP 10 10 6364 1 . GLU 11 11 6364 1 . TYR 12 12 6364 1 . LEU 13 13 6364 1 . GLU 14 14 6364 1 . MET 15 15 6364 1 . VAL 16 16 6364 1 . LYS 17 17 6364 1 . SER 18 18 6364 1 . GLY 19 19 6364 1 . LYS 20 20 6364 1 . LYS 21 21 6364 1 . ARG 22 22 6364 1 . ILE 23 23 6364 1 . GLU 24 24 6364 1 . VAL 25 25 6364 1 . ARG 26 26 6364 1 . VAL 27 27 6364 1 . ALA 28 28 6364 1 . TYR 29 29 6364 1 . PRO 30 30 6364 1 . GLN 31 31 6364 1 . LEU 32 32 6364 1 . LYS 33 33 6364 1 . ASP 34 34 6364 1 . ILE 35 35 6364 1 . LYS 36 36 6364 1 . ARG 37 37 6364 1 . GLY 38 38 6364 1 . ASP 39 39 6364 1 . LYS 40 40 6364 1 . ILE 41 41 6364 1 . ILE 42 42 6364 1 . PHE 43 43 6364 1 . ASN 44 44 6364 1 . ASP 45 45 6364 1 . LEU 46 46 6364 1 . ILE 47 47 6364 1 . PRO 48 48 6364 1 . ALA 49 49 6364 1 . GLU 50 50 6364 1 . VAL 51 51 6364 1 . VAL 52 52 6364 1 . GLU 53 53 6364 1 . VAL 54 54 6364 1 . LYS 55 55 6364 1 . LYS 56 56 6364 1 . TYR 57 57 6364 1 . GLU 58 58 6364 1 . THR 59 59 6364 1 . PHE 60 60 6364 1 . ARG 61 61 6364 1 . GLN 62 62 6364 1 . VAL 63 63 6364 1 . LEU 64 64 6364 1 . ARG 65 65 6364 1 . GLU 66 66 6364 1 . GLU 67 67 6364 1 . PRO 68 68 6364 1 . ILE 69 69 6364 1 . ASP 70 70 6364 1 . LYS 71 71 6364 1 . ILE 72 72 6364 1 . PHE 73 73 6364 1 . PRO 74 74 6364 1 . ASP 75 75 6364 1 . LYS 76 76 6364 1 . PRO 77 77 6364 1 . SER 78 78 6364 1 . PHE 79 79 6364 1 . GLU 80 80 6364 1 . LYS 81 81 6364 1 . ALA 82 82 6364 1 . LEU 83 83 6364 1 . LYS 84 84 6364 1 . ARG 85 85 6364 1 . PHE 86 86 6364 1 . HIS 87 87 6364 1 . ASN 88 88 6364 1 . MET 89 89 6364 1 . TYR 90 90 6364 1 . PRO 91 91 6364 1 . LYS 92 92 6364 1 . TRP 93 93 6364 1 . LYS 94 94 6364 1 . GLU 95 95 6364 1 . TYR 96 96 6364 1 . ARG 97 97 6364 1 . TYR 98 98 6364 1 . GLY 99 99 6364 1 . VAL 100 100 6364 1 . LEU 101 101 6364 1 . ALA 102 102 6364 1 . ILE 103 103 6364 1 . LYS 104 104 6364 1 . PHE 105 105 6364 1 . ARG 106 106 6364 1 . VAL 107 107 6364 1 . LEU 108 108 6364 1 . GLY 109 109 6364 1 . ARG 110 110 6364 1 . ASP 111 111 6364 1 . LYS 112 112 6364 1 . GLU 113 113 6364 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 6364 _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 $Protein_PF0470 . 2261 organism . 'Pyrococcus furiosus' 'Pyrococcus furiosus' . . Archaea . Pyrococcus furiosus . . . . . . . . . . . . . . . . . . . . . 6364 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 6364 _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 $Protein_PF0470 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli . . . . . . . . . . . . . . . . . . . . . . . 6364 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample _Sample.Sf_category sample _Sample.Sf_framecode sample _Sample.Entry_ID 6364 _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 'Protein PF0470' '[U-13C; U-15C]' . . 1 $Protein_PF0470 . . 1 . . mM . . . . 6364 1 2 MES . . . . . . . 20 . . mM . . . . 6364 1 3 NaCl . . . . . . . 100 . . mM . . . . 6364 1 4 DTT . . . . . . . 10 . . mM . . . . 6364 1 5 CaCl2 . . . . . . . 5 . . mM . . . . 6364 1 6 NaN3 . . . . . . . 0.02 . . % . . . . 6364 1 7 H2O . . . . . . . 95 . . % . . . . 6364 1 8 D2O . . . . . . . 5 . . % . . . . 6364 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions _Sample_condition_list.Entry_ID 6364 _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 temperature 298 1 K 6364 1 pH 6.5 0.1 pH 6364 1 pressure 1 0.001 atm 6364 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 6364 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 6364 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6364 _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_1 Varian Inova . 600 . . . 6364 1 2 NMR_spectrometer_2 Varian Inova . 750 . . . 6364 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 6364 _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 'GFT (4,3)D HNNCabCa'' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6364 1 2 'GFT (4,3)D CabCa(CO)NHN'' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6364 1 3 'GFT (4,3)D HabCab(CO)NHN'' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6364 1 4 'GFT (4,3) HCCH'' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6364 1 5 'Simultaneous Heteronuclear Resolved NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6364 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 6364 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 'GFT (4,3)D HNNCabCa'' _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 6364 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name 'GFT (4,3)D CabCa(CO)NHN'' _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 6364 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name 'GFT (4,3)D HabCab(CO)NHN'' _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 6364 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name 'GFT (4,3) HCCH'' _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 6364 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name 'Simultaneous Heteronuclear Resolved 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_ #################### # 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 6364 _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 1.000000000 . . . . . . . . . 6364 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6364 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6364 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts _Assigned_chem_shift_list.Entry_ID 6364 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions _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 'GFT (4,3)D HNNCabCa'' 1 $sample . 6364 1 2 'GFT (4,3)D CabCa(CO)NHN'' 1 $sample . 6364 1 3 'GFT (4,3)D HabCab(CO)NHN'' 1 $sample . 6364 1 4 'GFT (4,3) HCCH'' 1 $sample . 6364 1 5 'Simultaneous Heteronuclear Resolved NOESY' 1 $sample . 6364 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET CA C 13 55.7 0.5 . 1 . . . . . . . . 6364 1 2 . 1 1 1 1 MET HA H 1 3.97 0.02 . 1 . . . . . . . . 6364 1 3 . 1 1 1 1 MET CB C 13 33.0 0.5 . 1 . . . . . . . . 6364 1 4 . 1 1 1 1 MET HB2 H 1 2.23 0.02 . 1 . . . . . . . . 6364 1 5 . 1 1 1 1 MET HB3 H 1 2.14 0.02 . 1 . . . . . . . . 6364 1 6 . 1 1 1 1 MET CG C 13 30.8 0.5 . 1 . . . . . . . . 6364 1 7 . 1 1 1 1 MET HG2 H 1 2.51 0.02 . 2 . . . . . . . . 6364 1 8 . 1 1 1 1 MET HG3 H 1 2.72 0.02 . 2 . . . . . . . . 6364 1 9 . 1 1 1 1 MET HE1 H 1 2.03 0.02 . 1 . . . . . . . . 6364 1 10 . 1 1 1 1 MET HE2 H 1 2.03 0.02 . 1 . . . . . . . . 6364 1 11 . 1 1 1 1 MET HE3 H 1 2.03 0.02 . 1 . . . . . . . . 6364 1 12 . 1 1 1 1 MET CE C 13 16.9 0.5 . 1 . . . . . . . . 6364 1 13 . 1 1 2 2 LYS N N 15 127.7 0.5 . 1 . . . . . . . . 6364 1 14 . 1 1 2 2 LYS H H 1 8.69 0.02 . 1 . . . . . . . . 6364 1 15 . 1 1 2 2 LYS CA C 13 55.0 0.5 . 1 . . . . . . . . 6364 1 16 . 1 1 2 2 LYS HA H 1 4.46 0.02 . 1 . . . . . . . . 6364 1 17 . 1 1 2 2 LYS CB C 13 35.2 0.5 . 1 . . . . . . . . 6364 1 18 . 1 1 2 2 LYS HB2 H 1 1.59 0.02 . 1 . . . . . . . . 6364 1 19 . 1 1 2 2 LYS HB3 H 1 1.49 0.02 . 1 . . . . . . . . 6364 1 20 . 1 1 2 2 LYS CG C 13 25.1 0.5 . 1 . . . . . . . . 6364 1 21 . 1 1 2 2 LYS HG2 H 1 1.06 0.02 . 2 . . . . . . . . 6364 1 22 . 1 1 2 2 LYS HG3 H 1 1.30 0.02 . 2 . . . . . . . . 6364 1 23 . 1 1 2 2 LYS CD C 13 28.6 0.5 . 1 . . . . . . . . 6364 1 24 . 1 1 2 2 LYS HD2 H 1 1.59 0.02 . 1 . . . . . . . . 6364 1 25 . 1 1 2 2 LYS HD3 H 1 1.59 0.02 . 1 . . . . . . . . 6364 1 26 . 1 1 2 2 LYS CE C 13 41.9 0.5 . 1 . . . . . . . . 6364 1 27 . 1 1 2 2 LYS HE2 H 1 2.79 0.02 . 1 . . . . . . . . 6364 1 28 . 1 1 2 2 LYS HE3 H 1 2.79 0.02 . 1 . . . . . . . . 6364 1 29 . 1 1 3 3 VAL N N 15 121.4 0.5 . 1 . . . . . . . . 6364 1 30 . 1 1 3 3 VAL H H 1 7.93 0.02 . 1 . . . . . . . . 6364 1 31 . 1 1 3 3 VAL CA C 13 60.7 0.5 . 1 . . . . . . . . 6364 1 32 . 1 1 3 3 VAL HA H 1 4.75 0.02 . 1 . . . . . . . . 6364 1 33 . 1 1 3 3 VAL CB C 13 33.0 0.5 . 1 . . . . . . . . 6364 1 34 . 1 1 3 3 VAL HB H 1 1.74 0.02 . 1 . . . . . . . . 6364 1 35 . 1 1 3 3 VAL HG11 H 1 0.81 0.02 . 1 . . . . . . . . 6364 1 36 . 1 1 3 3 VAL HG12 H 1 0.81 0.02 . 1 . . . . . . . . 6364 1 37 . 1 1 3 3 VAL HG13 H 1 0.81 0.02 . 1 . . . . . . . . 6364 1 38 . 1 1 3 3 VAL HG21 H 1 0.66 0.02 . 1 . . . . . . . . 6364 1 39 . 1 1 3 3 VAL HG22 H 1 0.66 0.02 . 1 . . . . . . . . 6364 1 40 . 1 1 3 3 VAL HG23 H 1 0.66 0.02 . 1 . . . . . . . . 6364 1 41 . 1 1 3 3 VAL CG1 C 13 21.4 0.5 . 1 . . . . . . . . 6364 1 42 . 1 1 3 3 VAL CG2 C 13 21.1 0.5 . 1 . . . . . . . . 6364 1 43 . 1 1 4 4 TYR N N 15 127.2 0.5 . 1 . . . . . . . . 6364 1 44 . 1 1 4 4 TYR H H 1 9.11 0.02 . 1 . . . . . . . . 6364 1 45 . 1 1 4 4 TYR CA C 13 57.2 0.5 . 1 . . . . . . . . 6364 1 46 . 1 1 4 4 TYR HA H 1 4.46 0.02 . 1 . . . . . . . . 6364 1 47 . 1 1 4 4 TYR CB C 13 40.1 0.5 . 1 . . . . . . . . 6364 1 48 . 1 1 4 4 TYR HB2 H 1 2.54 0.02 . 1 . . . . . . . . 6364 1 49 . 1 1 4 4 TYR HB3 H 1 2.54 0.02 . 1 . . . . . . . . 6364 1 50 . 1 1 4 4 TYR HD1 H 1 7.01 0.02 . 1 . . . . . . . . 6364 1 51 . 1 1 4 4 TYR HD2 H 1 7.01 0.02 . 1 . . . . . . . . 6364 1 52 . 1 1 4 4 TYR HE1 H 1 7.00 0.02 . 1 . . . . . . . . 6364 1 53 . 1 1 4 4 TYR HE2 H 1 7.00 0.02 . 1 . . . . . . . . 6364 1 54 . 1 1 4 4 TYR CD1 C 13 132.5 0.5 . 1 . . . . . . . . 6364 1 55 . 1 1 4 4 TYR CE1 C 13 117.2 0.5 . 1 . . . . . . . . 6364 1 56 . 1 1 4 4 TYR CE2 C 13 117.2 0.5 . 1 . . . . . . . . 6364 1 57 . 1 1 4 4 TYR CD2 C 13 132.5 0.5 . 1 . . . . . . . . 6364 1 58 . 1 1 5 5 ARG N N 15 122.9 0.5 . 1 . . . . . . . . 6364 1 59 . 1 1 5 5 ARG H H 1 8.71 0.02 . 1 . . . . . . . . 6364 1 60 . 1 1 5 5 ARG CA C 13 55.3 0.5 . 1 . . . . . . . . 6364 1 61 . 1 1 5 5 ARG HA H 1 4.68 0.02 . 1 . . . . . . . . 6364 1 62 . 1 1 5 5 ARG CB C 13 30.1 0.5 . 1 . . . . . . . . 6364 1 63 . 1 1 5 5 ARG HB2 H 1 1.76 0.02 . 1 . . . . . . . . 6364 1 64 . 1 1 5 5 ARG HB3 H 1 1.76 0.02 . 1 . . . . . . . . 6364 1 65 . 1 1 5 5 ARG CG C 13 28.1 0.5 . 1 . . . . . . . . 6364 1 66 . 1 1 5 5 ARG HG2 H 1 1.33 0.02 . 2 . . . . . . . . 6364 1 67 . 1 1 5 5 ARG HG3 H 1 1.58 0.02 . 2 . . . . . . . . 6364 1 68 . 1 1 5 5 ARG CD C 13 43.1 0.5 . 1 . . . . . . . . 6364 1 69 . 1 1 5 5 ARG HD2 H 1 3.17 0.02 . 1 . . . . . . . . 6364 1 70 . 1 1 5 5 ARG HD3 H 1 3.17 0.02 . 1 . . . . . . . . 6364 1 71 . 1 1 6 6 LEU N N 15 122.4 0.5 . 1 . . . . . . . . 6364 1 72 . 1 1 6 6 LEU H H 1 7.77 0.02 . 1 . . . . . . . . 6364 1 73 . 1 1 6 6 LEU CA C 13 52.9 0.5 . 1 . . . . . . . . 6364 1 74 . 1 1 6 6 LEU HA H 1 4.74 0.02 . 1 . . . . . . . . 6364 1 75 . 1 1 6 6 LEU CB C 13 45.5 0.5 . 1 . . . . . . . . 6364 1 76 . 1 1 6 6 LEU HB2 H 1 1.37 0.02 . 1 . . . . . . . . 6364 1 77 . 1 1 6 6 LEU HB3 H 1 1.23 0.02 . 1 . . . . . . . . 6364 1 78 . 1 1 6 6 LEU CG C 13 27.0 0.5 . 1 . . . . . . . . 6364 1 79 . 1 1 6 6 LEU HG H 1 1.31 0.02 . 1 . . . . . . . . 6364 1 80 . 1 1 6 6 LEU HD11 H 1 0.54 0.02 . 1 . . . . . . . . 6364 1 81 . 1 1 6 6 LEU HD12 H 1 0.54 0.02 . 1 . . . . . . . . 6364 1 82 . 1 1 6 6 LEU HD13 H 1 0.54 0.02 . 1 . . . . . . . . 6364 1 83 . 1 1 6 6 LEU HD21 H 1 0.89 0.02 . 1 . . . . . . . . 6364 1 84 . 1 1 6 6 LEU HD22 H 1 0.89 0.02 . 1 . . . . . . . . 6364 1 85 . 1 1 6 6 LEU HD23 H 1 0.89 0.02 . 1 . . . . . . . . 6364 1 86 . 1 1 6 6 LEU CD1 C 13 24.9 0.5 . 1 . . . . . . . . 6364 1 87 . 1 1 6 6 LEU CD2 C 13 23.0 0.5 . 1 . . . . . . . . 6364 1 88 . 1 1 7 7 TYR N N 15 120.3 0.5 . 1 . . . . . . . . 6364 1 89 . 1 1 7 7 TYR H H 1 8.92 0.02 . 1 . . . . . . . . 6364 1 90 . 1 1 7 7 TYR CA C 13 57.6 0.5 . 1 . . . . . . . . 6364 1 91 . 1 1 7 7 TYR HA H 1 5.09 0.02 . 1 . . . . . . . . 6364 1 92 . 1 1 7 7 TYR CB C 13 40.2 0.5 . 1 . . . . . . . . 6364 1 93 . 1 1 7 7 TYR HB2 H 1 2.92 0.02 . 1 . . . . . . . . 6364 1 94 . 1 1 7 7 TYR HB3 H 1 2.99 0.02 . 1 . . . . . . . . 6364 1 95 . 1 1 7 7 TYR HD1 H 1 7.17 0.02 . 1 . . . . . . . . 6364 1 96 . 1 1 7 7 TYR HD2 H 1 7.17 0.02 . 1 . . . . . . . . 6364 1 97 . 1 1 7 7 TYR HE1 H 1 6.75 0.02 . 1 . . . . . . . . 6364 1 98 . 1 1 7 7 TYR HE2 H 1 6.75 0.02 . 1 . . . . . . . . 6364 1 99 . 1 1 7 7 TYR CD1 C 13 132.6 0.5 . 1 . . . . . . . . 6364 1 100 . 1 1 7 7 TYR CE1 C 13 117.5 0.5 . 1 . . . . . . . . 6364 1 101 . 1 1 7 7 TYR CE2 C 13 117.5 0.5 . 1 . . . . . . . . 6364 1 102 . 1 1 7 7 TYR CD2 C 13 132.6 0.5 . 1 . . . . . . . . 6364 1 103 . 1 1 8 8 LEU N N 15 127.0 0.5 . 1 . . . . . . . . 6364 1 104 . 1 1 8 8 LEU H H 1 10.30 0.02 . 1 . . . . . . . . 6364 1 105 . 1 1 8 8 LEU CA C 13 52.4 0.5 . 1 . . . . . . . . 6364 1 106 . 1 1 8 8 LEU HA H 1 4.93 0.02 . 1 . . . . . . . . 6364 1 107 . 1 1 8 8 LEU CB C 13 46.3 0.5 . 1 . . . . . . . . 6364 1 108 . 1 1 8 8 LEU HB2 H 1 1.50 0.02 . 1 . . . . . . . . 6364 1 109 . 1 1 8 8 LEU HB3 H 1 1.65 0.02 . 1 . . . . . . . . 6364 1 110 . 1 1 8 8 LEU CG C 13 26.6 0.5 . 1 . . . . . . . . 6364 1 111 . 1 1 8 8 LEU HG H 1 1.49 0.02 . 1 . . . . . . . . 6364 1 112 . 1 1 8 8 LEU HD11 H 1 0.87 0.02 . 1 . . . . . . . . 6364 1 113 . 1 1 8 8 LEU HD12 H 1 0.87 0.02 . 1 . . . . . . . . 6364 1 114 . 1 1 8 8 LEU HD13 H 1 0.87 0.02 . 1 . . . . . . . . 6364 1 115 . 1 1 8 8 LEU HD21 H 1 0.23 0.02 . 1 . . . . . . . . 6364 1 116 . 1 1 8 8 LEU HD22 H 1 0.23 0.02 . 1 . . . . . . . . 6364 1 117 . 1 1 8 8 LEU HD23 H 1 0.23 0.02 . 1 . . . . . . . . 6364 1 118 . 1 1 8 8 LEU CD1 C 13 23.5 0.5 . 1 . . . . . . . . 6364 1 119 . 1 1 8 8 LEU CD2 C 13 25.9 0.5 . 1 . . . . . . . . 6364 1 120 . 1 1 9 9 LYS N N 15 121.0 0.5 . 1 . . . . . . . . 6364 1 121 . 1 1 9 9 LYS H H 1 8.58 0.02 . 1 . . . . . . . . 6364 1 122 . 1 1 9 9 LYS CA C 13 56.8 0.5 . 1 . . . . . . . . 6364 1 123 . 1 1 9 9 LYS HA H 1 4.29 0.02 . 1 . . . . . . . . 6364 1 124 . 1 1 9 9 LYS CB C 13 32.9 0.5 . 1 . . . . . . . . 6364 1 125 . 1 1 9 9 LYS HB2 H 1 1.74 0.02 . 2 . . . . . . . . 6364 1 126 . 1 1 9 9 LYS HB3 H 1 1.92 0.02 . 2 . . . . . . . . 6364 1 127 . 1 1 9 9 LYS CG C 13 24.9 0.5 . 1 . . . . . . . . 6364 1 128 . 1 1 9 9 LYS HG2 H 1 1.58 0.02 . 1 . . . . . . . . 6364 1 129 . 1 1 9 9 LYS HG3 H 1 1.58 0.02 . 1 . . . . . . . . 6364 1 130 . 1 1 9 9 LYS CD C 13 29.2 0.5 . 1 . . . . . . . . 6364 1 131 . 1 1 9 9 LYS HD2 H 1 1.57 0.02 . 1 . . . . . . . . 6364 1 132 . 1 1 9 9 LYS HD3 H 1 1.57 0.02 . 1 . . . . . . . . 6364 1 133 . 1 1 9 9 LYS CE C 13 41.6 0.5 . 1 . . . . . . . . 6364 1 134 . 1 1 9 9 LYS HE2 H 1 2.94 0.02 . 1 . . . . . . . . 6364 1 135 . 1 1 9 9 LYS HE3 H 1 2.94 0.02 . 1 . . . . . . . . 6364 1 136 . 1 1 10 10 ASP N N 15 124.4 0.5 . 1 . . . . . . . . 6364 1 137 . 1 1 10 10 ASP H H 1 8.87 0.02 . 1 . . . . . . . . 6364 1 138 . 1 1 10 10 ASP CA C 13 58.4 0.5 . 1 . . . . . . . . 6364 1 139 . 1 1 10 10 ASP HA H 1 4.20 0.02 . 1 . . . . . . . . 6364 1 140 . 1 1 10 10 ASP CB C 13 40.3 0.5 . 1 . . . . . . . . 6364 1 141 . 1 1 10 10 ASP HB2 H 1 2.62 0.02 . 1 . . . . . . . . 6364 1 142 . 1 1 10 10 ASP HB3 H 1 2.68 0.02 . 1 . . . . . . . . 6364 1 143 . 1 1 11 11 GLU N N 15 117.4 0.5 . 1 . . . . . . . . 6364 1 144 . 1 1 11 11 GLU H H 1 9.59 0.02 . 1 . . . . . . . . 6364 1 145 . 1 1 11 11 GLU CA C 13 59.2 0.5 . 1 . . . . . . . . 6364 1 146 . 1 1 11 11 GLU HA H 1 4.05 0.02 . 1 . . . . . . . . 6364 1 147 . 1 1 11 11 GLU CB C 13 28.7 0.5 . 1 . . . . . . . . 6364 1 148 . 1 1 11 11 GLU HB2 H 1 1.72 0.02 . 1 . . . . . . . . 6364 1 149 . 1 1 11 11 GLU HB3 H 1 1.79 0.02 . 1 . . . . . . . . 6364 1 150 . 1 1 11 11 GLU CG C 13 35.3 0.5 . 1 . . . . . . . . 6364 1 151 . 1 1 11 11 GLU HG2 H 1 1.81 0.02 . 2 . . . . . . . . 6364 1 152 . 1 1 11 11 GLU HG3 H 1 1.94 0.02 . 2 . . . . . . . . 6364 1 153 . 1 1 12 12 TYR N N 15 117.7 0.5 . 1 . . . . . . . . 6364 1 154 . 1 1 12 12 TYR H H 1 7.19 0.02 . 1 . . . . . . . . 6364 1 155 . 1 1 12 12 TYR CA C 13 57.8 0.5 . 1 . . . . . . . . 6364 1 156 . 1 1 12 12 TYR HA H 1 4.89 0.02 . 1 . . . . . . . . 6364 1 157 . 1 1 12 12 TYR CB C 13 37.7 0.5 . 1 . . . . . . . . 6364 1 158 . 1 1 12 12 TYR HB2 H 1 3.10 0.02 . 1 . . . . . . . . 6364 1 159 . 1 1 12 12 TYR HB3 H 1 3.10 0.02 . 1 . . . . . . . . 6364 1 160 . 1 1 12 12 TYR HD1 H 1 7.36 0.02 . 1 . . . . . . . . 6364 1 161 . 1 1 12 12 TYR HD2 H 1 7.36 0.02 . 1 . . . . . . . . 6364 1 162 . 1 1 12 12 TYR HE1 H 1 6.92 0.02 . 1 . . . . . . . . 6364 1 163 . 1 1 12 12 TYR HE2 H 1 6.92 0.02 . 1 . . . . . . . . 6364 1 164 . 1 1 12 12 TYR CD1 C 13 131.2 0.5 . 1 . . . . . . . . 6364 1 165 . 1 1 12 12 TYR CE1 C 13 118.0 0.5 . 1 . . . . . . . . 6364 1 166 . 1 1 12 12 TYR CE2 C 13 118.0 0.5 . 1 . . . . . . . . 6364 1 167 . 1 1 12 12 TYR CD2 C 13 131.2 0.5 . 1 . . . . . . . . 6364 1 168 . 1 1 13 13 LEU N N 15 123.8 0.5 . 1 . . . . . . . . 6364 1 169 . 1 1 13 13 LEU H H 1 8.40 0.02 . 1 . . . . . . . . 6364 1 170 . 1 1 13 13 LEU CA C 13 57.8 0.5 . 1 . . . . . . . . 6364 1 171 . 1 1 13 13 LEU HA H 1 3.79 0.02 . 1 . . . . . . . . 6364 1 172 . 1 1 13 13 LEU CB C 13 40.5 0.5 . 1 . . . . . . . . 6364 1 173 . 1 1 13 13 LEU HB2 H 1 1.29 0.02 . 1 . . . . . . . . 6364 1 174 . 1 1 13 13 LEU HB3 H 1 2.18 0.02 . 1 . . . . . . . . 6364 1 175 . 1 1 13 13 LEU CG C 13 26.6 0.5 . 1 . . . . . . . . 6364 1 176 . 1 1 13 13 LEU HG H 1 1.60 0.02 . 1 . . . . . . . . 6364 1 177 . 1 1 13 13 LEU HD11 H 1 0.77 0.02 . 1 . . . . . . . . 6364 1 178 . 1 1 13 13 LEU HD12 H 1 0.77 0.02 . 1 . . . . . . . . 6364 1 179 . 1 1 13 13 LEU HD13 H 1 0.77 0.02 . 1 . . . . . . . . 6364 1 180 . 1 1 13 13 LEU HD21 H 1 0.98 0.02 . 1 . . . . . . . . 6364 1 181 . 1 1 13 13 LEU HD22 H 1 0.98 0.02 . 1 . . . . . . . . 6364 1 182 . 1 1 13 13 LEU HD23 H 1 0.98 0.02 . 1 . . . . . . . . 6364 1 183 . 1 1 13 13 LEU CD1 C 13 23.5 0.5 . 1 . . . . . . . . 6364 1 184 . 1 1 13 13 LEU CD2 C 13 24.9 0.5 . 1 . . . . . . . . 6364 1 185 . 1 1 14 14 GLU N N 15 117.9 0.5 . 1 . . . . . . . . 6364 1 186 . 1 1 14 14 GLU H H 1 8.24 0.02 . 1 . . . . . . . . 6364 1 187 . 1 1 14 14 GLU CA C 13 59.0 0.5 . 1 . . . . . . . . 6364 1 188 . 1 1 14 14 GLU HA H 1 4.00 0.02 . 1 . . . . . . . . 6364 1 189 . 1 1 14 14 GLU CB C 13 28.8 0.5 . 1 . . . . . . . . 6364 1 190 . 1 1 14 14 GLU HB2 H 1 2.09 0.02 . 1 . . . . . . . . 6364 1 191 . 1 1 14 14 GLU HB3 H 1 2.09 0.02 . 1 . . . . . . . . 6364 1 192 . 1 1 14 14 GLU CG C 13 35.4 0.5 . 1 . . . . . . . . 6364 1 193 . 1 1 14 14 GLU HG2 H 1 2.36 0.02 . 1 . . . . . . . . 6364 1 194 . 1 1 14 14 GLU HG3 H 1 2.36 0.02 . 1 . . . . . . . . 6364 1 195 . 1 1 15 15 MET N N 15 116.3 0.5 . 1 . . . . . . . . 6364 1 196 . 1 1 15 15 MET H H 1 7.17 0.02 . 1 . . . . . . . . 6364 1 197 . 1 1 15 15 MET CA C 13 58.1 0.5 . 1 . . . . . . . . 6364 1 198 . 1 1 15 15 MET HA H 1 4.40 0.02 . 1 . . . . . . . . 6364 1 199 . 1 1 15 15 MET CB C 13 33.2 0.5 . 1 . . . . . . . . 6364 1 200 . 1 1 15 15 MET HB2 H 1 1.90 0.02 . 1 . . . . . . . . 6364 1 201 . 1 1 15 15 MET HB3 H 1 2.38 0.02 . 1 . . . . . . . . 6364 1 202 . 1 1 15 15 MET CG C 13 32.7 0.5 . 1 . . . . . . . . 6364 1 203 . 1 1 15 15 MET HG2 H 1 2.76 0.02 . 2 . . . . . . . . 6364 1 204 . 1 1 15 15 MET HG3 H 1 3.09 0.02 . 2 . . . . . . . . 6364 1 205 . 1 1 15 15 MET HE1 H 1 2.10 0.02 . 1 . . . . . . . . 6364 1 206 . 1 1 15 15 MET HE2 H 1 2.10 0.02 . 1 . . . . . . . . 6364 1 207 . 1 1 15 15 MET HE3 H 1 2.10 0.02 . 1 . . . . . . . . 6364 1 208 . 1 1 15 15 MET CE C 13 18.2 0.5 . 1 . . . . . . . . 6364 1 209 . 1 1 16 16 VAL N N 15 122.2 0.5 . 1 . . . . . . . . 6364 1 210 . 1 1 16 16 VAL H H 1 7.93 0.02 . 1 . . . . . . . . 6364 1 211 . 1 1 16 16 VAL CA C 13 66.1 0.5 . 1 . . . . . . . . 6364 1 212 . 1 1 16 16 VAL HA H 1 3.97 0.02 . 1 . . . . . . . . 6364 1 213 . 1 1 16 16 VAL CB C 13 31.2 0.5 . 1 . . . . . . . . 6364 1 214 . 1 1 16 16 VAL HB H 1 2.26 0.02 . 1 . . . . . . . . 6364 1 215 . 1 1 16 16 VAL HG11 H 1 0.57 0.02 . 1 . . . . . . . . 6364 1 216 . 1 1 16 16 VAL HG12 H 1 0.57 0.02 . 1 . . . . . . . . 6364 1 217 . 1 1 16 16 VAL HG13 H 1 0.57 0.02 . 1 . . . . . . . . 6364 1 218 . 1 1 16 16 VAL HG21 H 1 0.71 0.02 . 1 . . . . . . . . 6364 1 219 . 1 1 16 16 VAL HG22 H 1 0.71 0.02 . 1 . . . . . . . . 6364 1 220 . 1 1 16 16 VAL HG23 H 1 0.71 0.02 . 1 . . . . . . . . 6364 1 221 . 1 1 16 16 VAL CG1 C 13 22.3 0.5 . 1 . . . . . . . . 6364 1 222 . 1 1 16 16 VAL CG2 C 13 21.6 0.5 . 1 . . . . . . . . 6364 1 223 . 1 1 17 17 LYS N N 15 121.5 0.5 . 1 . . . . . . . . 6364 1 224 . 1 1 17 17 LYS H H 1 8.56 0.02 . 1 . . . . . . . . 6364 1 225 . 1 1 17 17 LYS CA C 13 60.0 0.5 . 1 . . . . . . . . 6364 1 226 . 1 1 17 17 LYS HA H 1 3.87 0.02 . 1 . . . . . . . . 6364 1 227 . 1 1 17 17 LYS CB C 13 32.6 0.5 . 1 . . . . . . . . 6364 1 228 . 1 1 17 17 LYS HB2 H 1 1.87 0.02 . 1 . . . . . . . . 6364 1 229 . 1 1 17 17 LYS HB3 H 1 2.01 0.02 . 1 . . . . . . . . 6364 1 230 . 1 1 17 17 LYS CG C 13 25.3 0.5 . 1 . . . . . . . . 6364 1 231 . 1 1 17 17 LYS HG2 H 1 1.47 0.02 . 2 . . . . . . . . 6364 1 232 . 1 1 17 17 LYS HG3 H 1 1.56 0.02 . 2 . . . . . . . . 6364 1 233 . 1 1 17 17 LYS CD C 13 29.5 0.5 . 1 . . . . . . . . 6364 1 234 . 1 1 17 17 LYS HD2 H 1 1.66 0.02 . 1 . . . . . . . . 6364 1 235 . 1 1 17 17 LYS HD3 H 1 1.66 0.02 . 1 . . . . . . . . 6364 1 236 . 1 1 17 17 LYS CE C 13 41.4 0.5 . 1 . . . . . . . . 6364 1 237 . 1 1 17 17 LYS HE2 H 1 2.93 0.02 . 1 . . . . . . . . 6364 1 238 . 1 1 17 17 LYS HE3 H 1 2.93 0.02 . 1 . . . . . . . . 6364 1 239 . 1 1 18 18 SER N N 15 110.5 0.5 . 1 . . . . . . . . 6364 1 240 . 1 1 18 18 SER H H 1 8.03 0.02 . 1 . . . . . . . . 6364 1 241 . 1 1 18 18 SER CA C 13 58.9 0.5 . 1 . . . . . . . . 6364 1 242 . 1 1 18 18 SER HA H 1 4.41 0.02 . 1 . . . . . . . . 6364 1 243 . 1 1 18 18 SER CB C 13 64.1 0.5 . 1 . . . . . . . . 6364 1 244 . 1 1 18 18 SER HB2 H 1 4.12 0.02 . 1 . . . . . . . . 6364 1 245 . 1 1 18 18 SER HB3 H 1 4.02 0.02 . 1 . . . . . . . . 6364 1 246 . 1 1 19 19 GLY N N 15 108.9 0.5 . 1 . . . . . . . . 6364 1 247 . 1 1 19 19 GLY H H 1 7.66 0.02 . 1 . . . . . . . . 6364 1 248 . 1 1 19 19 GLY CA C 13 45.1 0.5 . 1 . . . . . . . . 6364 1 249 . 1 1 19 19 GLY HA2 H 1 4.33 0.02 . 2 . . . . . . . . 6364 1 250 . 1 1 19 19 GLY HA3 H 1 4.03 0.02 . 2 . . . . . . . . 6364 1 251 . 1 1 20 20 LYS N N 15 118.0 0.5 . 1 . . . . . . . . 6364 1 252 . 1 1 20 20 LYS H H 1 7.73 0.02 . 1 . . . . . . . . 6364 1 253 . 1 1 20 20 LYS CA C 13 57.8 0.5 . 1 . . . . . . . . 6364 1 254 . 1 1 20 20 LYS HA H 1 4.19 0.02 . 1 . . . . . . . . 6364 1 255 . 1 1 20 20 LYS CB C 13 33.6 0.5 . 1 . . . . . . . . 6364 1 256 . 1 1 20 20 LYS HB2 H 1 1.65 0.02 . 1 . . . . . . . . 6364 1 257 . 1 1 20 20 LYS HB3 H 1 1.88 0.02 . 1 . . . . . . . . 6364 1 258 . 1 1 20 20 LYS CG C 13 25.5 0.5 . 1 . . . . . . . . 6364 1 259 . 1 1 20 20 LYS HG2 H 1 1.37 0.02 . 2 . . . . . . . . 6364 1 260 . 1 1 20 20 LYS HG3 H 1 1.50 0.02 . 2 . . . . . . . . 6364 1 261 . 1 1 20 20 LYS CD C 13 29.0 0.5 . 1 . . . . . . . . 6364 1 262 . 1 1 20 20 LYS HD2 H 1 1.66 0.02 . 1 . . . . . . . . 6364 1 263 . 1 1 20 20 LYS HD3 H 1 1.66 0.02 . 1 . . . . . . . . 6364 1 264 . 1 1 20 20 LYS CE C 13 42.0 0.5 . 1 . . . . . . . . 6364 1 265 . 1 1 20 20 LYS HE2 H 1 2.98 0.02 . 1 . . . . . . . . 6364 1 266 . 1 1 20 20 LYS HE3 H 1 2.98 0.02 . 1 . . . . . . . . 6364 1 267 . 1 1 21 21 LYS N N 15 117.6 0.5 . 1 . . . . . . . . 6364 1 268 . 1 1 21 21 LYS H H 1 7.20 0.02 . 1 . . . . . . . . 6364 1 269 . 1 1 21 21 LYS CA C 13 54.9 0.5 . 1 . . . . . . . . 6364 1 270 . 1 1 21 21 LYS HA H 1 4.43 0.02 . 1 . . . . . . . . 6364 1 271 . 1 1 21 21 LYS CB C 13 34.8 0.5 . 1 . . . . . . . . 6364 1 272 . 1 1 21 21 LYS HB2 H 1 1.13 0.02 . 1 . . . . . . . . 6364 1 273 . 1 1 21 21 LYS HB3 H 1 1.46 0.02 . 1 . . . . . . . . 6364 1 274 . 1 1 21 21 LYS CG C 13 25.0 0.5 . 1 . . . . . . . . 6364 1 275 . 1 1 21 21 LYS HG2 H 1 1.87 0.02 . 2 . . . . . . . . 6364 1 276 . 1 1 21 21 LYS HG3 H 1 1.93 0.02 . 2 . . . . . . . . 6364 1 277 . 1 1 22 22 ARG N N 15 125.9 0.5 . 1 . . . . . . . . 6364 1 278 . 1 1 22 22 ARG H H 1 8.16 0.02 . 1 . . . . . . . . 6364 1 279 . 1 1 22 22 ARG CA C 13 54.1 0.5 . 1 . . . . . . . . 6364 1 280 . 1 1 22 22 ARG HA H 1 3.65 0.02 . 1 . . . . . . . . 6364 1 281 . 1 1 22 22 ARG CB C 13 32.9 0.5 . 1 . . . . . . . . 6364 1 282 . 1 1 22 22 ARG HB2 H 1 1.16 0.02 . 2 . . . . . . . . 6364 1 283 . 1 1 22 22 ARG HB3 H 1 2.13 0.02 . 2 . . . . . . . . 6364 1 284 . 1 1 22 22 ARG CG C 13 26.7 0.5 . 1 . . . . . . . . 6364 1 285 . 1 1 22 22 ARG HG2 H 1 1.44 0.02 . 2 . . . . . . . . 6364 1 286 . 1 1 22 22 ARG HG3 H 1 1.25 0.02 . 2 . . . . . . . . 6364 1 287 . 1 1 22 22 ARG CD C 13 42.7 0.5 . 1 . . . . . . . . 6364 1 288 . 1 1 22 22 ARG HD2 H 1 3.15 0.02 . 2 . . . . . . . . 6364 1 289 . 1 1 22 22 ARG HD3 H 1 3.09 0.02 . 2 . . . . . . . . 6364 1 290 . 1 1 23 23 ILE N N 15 116.7 0.5 . 1 . . . . . . . . 6364 1 291 . 1 1 23 23 ILE H H 1 7.26 0.02 . 1 . . . . . . . . 6364 1 292 . 1 1 23 23 ILE CA C 13 59.6 0.5 . 1 . . . . . . . . 6364 1 293 . 1 1 23 23 ILE HA H 1 4.89 0.02 . 1 . . . . . . . . 6364 1 294 . 1 1 23 23 ILE CB C 13 40.9 0.5 . 1 . . . . . . . . 6364 1 295 . 1 1 23 23 ILE HB H 1 1.19 0.02 . 1 . . . . . . . . 6364 1 296 . 1 1 23 23 ILE HG21 H 1 0.45 0.02 . 1 . . . . . . . . 6364 1 297 . 1 1 23 23 ILE HG22 H 1 0.45 0.02 . 1 . . . . . . . . 6364 1 298 . 1 1 23 23 ILE HG23 H 1 0.45 0.02 . 1 . . . . . . . . 6364 1 299 . 1 1 23 23 ILE CG2 C 13 16.7 0.5 . 1 . . . . . . . . 6364 1 300 . 1 1 23 23 ILE CG1 C 13 27.3 0.5 . 1 . . . . . . . . 6364 1 301 . 1 1 23 23 ILE HG12 H 1 0.70 0.02 . 1 . . . . . . . . 6364 1 302 . 1 1 23 23 ILE HG13 H 1 1.24 0.02 . 1 . . . . . . . . 6364 1 303 . 1 1 23 23 ILE HD11 H 1 0.77 0.02 . 1 . . . . . . . . 6364 1 304 . 1 1 23 23 ILE HD12 H 1 0.77 0.02 . 1 . . . . . . . . 6364 1 305 . 1 1 23 23 ILE HD13 H 1 0.77 0.02 . 1 . . . . . . . . 6364 1 306 . 1 1 23 23 ILE CD1 C 13 13.7 0.5 . 1 . . . . . . . . 6364 1 307 . 1 1 24 24 GLU N N 15 131.4 0.5 . 1 . . . . . . . . 6364 1 308 . 1 1 24 24 GLU H H 1 9.71 0.02 . 1 . . . . . . . . 6364 1 309 . 1 1 24 24 GLU CA C 13 53.8 0.5 . 1 . . . . . . . . 6364 1 310 . 1 1 24 24 GLU HA H 1 5.15 0.02 . 1 . . . . . . . . 6364 1 311 . 1 1 24 24 GLU CB C 13 31.9 0.5 . 1 . . . . . . . . 6364 1 312 . 1 1 24 24 GLU HB2 H 1 1.77 0.02 . 1 . . . . . . . . 6364 1 313 . 1 1 24 24 GLU HB3 H 1 2.09 0.02 . 1 . . . . . . . . 6364 1 314 . 1 1 24 24 GLU CG C 13 35.1 0.5 . 1 . . . . . . . . 6364 1 315 . 1 1 24 24 GLU HG2 H 1 1.99 0.02 . 2 . . . . . . . . 6364 1 316 . 1 1 24 24 GLU HG3 H 1 2.21 0.02 . 2 . . . . . . . . 6364 1 317 . 1 1 25 25 VAL N N 15 129.0 0.5 . 1 . . . . . . . . 6364 1 318 . 1 1 25 25 VAL H H 1 8.17 0.02 . 1 . . . . . . . . 6364 1 319 . 1 1 25 25 VAL CA C 13 60.1 0.5 . 1 . . . . . . . . 6364 1 320 . 1 1 25 25 VAL HA H 1 5.32 0.02 . 1 . . . . . . . . 6364 1 321 . 1 1 25 25 VAL CB C 13 32.6 0.5 . 1 . . . . . . . . 6364 1 322 . 1 1 25 25 VAL HB H 1 1.96 0.02 . 1 . . . . . . . . 6364 1 323 . 1 1 25 25 VAL HG11 H 1 0.43 0.02 . 2 . . . . . . . . 6364 1 324 . 1 1 25 25 VAL HG12 H 1 0.43 0.02 . 2 . . . . . . . . 6364 1 325 . 1 1 25 25 VAL HG13 H 1 0.43 0.02 . 2 . . . . . . . . 6364 1 326 . 1 1 25 25 VAL HG21 H 1 0.71 0.02 . 2 . . . . . . . . 6364 1 327 . 1 1 25 25 VAL HG22 H 1 0.71 0.02 . 2 . . . . . . . . 6364 1 328 . 1 1 25 25 VAL HG23 H 1 0.71 0.02 . 2 . . . . . . . . 6364 1 329 . 1 1 25 25 VAL CG1 C 13 21.4 0.5 . 2 . . . . . . . . 6364 1 330 . 1 1 25 25 VAL CG2 C 13 21.9 0.5 . 2 . . . . . . . . 6364 1 331 . 1 1 27 27 VAL HA H 1 3.75 0.02 . 1 . . . . . . . . 6364 1 332 . 1 1 27 27 VAL CB C 13 32.1 0.5 . 1 . . . . . . . . 6364 1 333 . 1 1 27 27 VAL HB H 1 1.31 0.02 . 1 . . . . . . . . 6364 1 334 . 1 1 27 27 VAL HG11 H 1 0.40 0.02 . 2 . . . . . . . . 6364 1 335 . 1 1 27 27 VAL HG12 H 1 0.40 0.02 . 2 . . . . . . . . 6364 1 336 . 1 1 27 27 VAL HG13 H 1 0.40 0.02 . 2 . . . . . . . . 6364 1 337 . 1 1 27 27 VAL CG1 C 13 22.3 0.5 . 2 . . . . . . . . 6364 1 338 . 1 1 28 28 ALA CA C 13 50.0 0.5 . 1 . . . . . . . . 6364 1 339 . 1 1 28 28 ALA HA H 1 3.96 0.02 . 1 . . . . . . . . 6364 1 340 . 1 1 28 28 ALA HB1 H 1 0.96 0.02 . 1 . . . . . . . . 6364 1 341 . 1 1 28 28 ALA HB2 H 1 0.96 0.02 . 1 . . . . . . . . 6364 1 342 . 1 1 28 28 ALA HB3 H 1 0.96 0.02 . 1 . . . . . . . . 6364 1 343 . 1 1 28 28 ALA CB C 13 15.8 0.5 . 1 . . . . . . . . 6364 1 344 . 1 1 29 29 TYR HA H 1 3.73 0.02 . 1 . . . . . . . . 6364 1 345 . 1 1 29 29 TYR HB2 H 1 3.17 0.02 . 2 . . . . . . . . 6364 1 346 . 1 1 29 29 TYR HB3 H 1 2.42 0.02 . 2 . . . . . . . . 6364 1 347 . 1 1 29 29 TYR HD1 H 1 6.86 0.02 . 1 . . . . . . . . 6364 1 348 . 1 1 29 29 TYR HD2 H 1 6.86 0.02 . 1 . . . . . . . . 6364 1 349 . 1 1 29 29 TYR HE1 H 1 6.87 0.02 . 1 . . . . . . . . 6364 1 350 . 1 1 29 29 TYR HE2 H 1 6.87 0.02 . 1 . . . . . . . . 6364 1 351 . 1 1 29 29 TYR CD1 C 13 131.8 0.5 . 1 . . . . . . . . 6364 1 352 . 1 1 29 29 TYR CE1 C 13 117.6 0.5 . 1 . . . . . . . . 6364 1 353 . 1 1 29 29 TYR CE2 C 13 117.6 0.5 . 1 . . . . . . . . 6364 1 354 . 1 1 29 29 TYR CD2 C 13 131.8 0.5 . 1 . . . . . . . . 6364 1 355 . 1 1 30 30 PRO CD C 13 49.7 0.5 . 1 . . . . . . . . 6364 1 356 . 1 1 30 30 PRO CA C 13 66.3 0.5 . 1 . . . . . . . . 6364 1 357 . 1 1 30 30 PRO HA H 1 4.02 0.02 . 1 . . . . . . . . 6364 1 358 . 1 1 30 30 PRO CB C 13 31.8 0.5 . 1 . . . . . . . . 6364 1 359 . 1 1 30 30 PRO HB2 H 1 1.97 0.02 . 1 . . . . . . . . 6364 1 360 . 1 1 30 30 PRO HB3 H 1 2.45 0.02 . 1 . . . . . . . . 6364 1 361 . 1 1 30 30 PRO CG C 13 27.6 0.5 . 1 . . . . . . . . 6364 1 362 . 1 1 30 30 PRO HG2 H 1 2.12 0.02 . 2 . . . . . . . . 6364 1 363 . 1 1 30 30 PRO HG3 H 1 2.29 0.02 . 2 . . . . . . . . 6364 1 364 . 1 1 30 30 PRO HD2 H 1 3.36 0.02 . 2 . . . . . . . . 6364 1 365 . 1 1 30 30 PRO HD3 H 1 3.72 0.02 . 2 . . . . . . . . 6364 1 366 . 1 1 31 31 GLN N N 15 113.6 0.5 . 1 . . . . . . . . 6364 1 367 . 1 1 31 31 GLN H H 1 8.71 0.02 . 1 . . . . . . . . 6364 1 368 . 1 1 31 31 GLN CA C 13 58.2 0.5 . 1 . . . . . . . . 6364 1 369 . 1 1 31 31 GLN HA H 1 4.25 0.02 . 1 . . . . . . . . 6364 1 370 . 1 1 31 31 GLN CB C 13 27.5 0.5 . 1 . . . . . . . . 6364 1 371 . 1 1 31 31 GLN HB2 H 1 2.14 0.02 . 1 . . . . . . . . 6364 1 372 . 1 1 31 31 GLN HB3 H 1 2.21 0.02 . 1 . . . . . . . . 6364 1 373 . 1 1 31 31 GLN CG C 13 33.9 0.5 . 1 . . . . . . . . 6364 1 374 . 1 1 31 31 GLN HG2 H 1 2.49 0.02 . 2 . . . . . . . . 6364 1 375 . 1 1 31 31 GLN HG3 H 1 2.60 0.02 . 2 . . . . . . . . 6364 1 376 . 1 1 31 31 GLN NE2 N 15 112.2 0.5 . 1 . . . . . . . . 6364 1 377 . 1 1 31 31 GLN HE21 H 1 6.86 0.02 . 1 . . . . . . . . 6364 1 378 . 1 1 31 31 GLN HE22 H 1 7.68 0.02 . 1 . . . . . . . . 6364 1 379 . 1 1 32 32 LEU N N 15 119.3 0.5 . 1 . . . . . . . . 6364 1 380 . 1 1 32 32 LEU H H 1 7.88 0.02 . 1 . . . . . . . . 6364 1 381 . 1 1 32 32 LEU CA C 13 54.2 0.5 . 1 . . . . . . . . 6364 1 382 . 1 1 32 32 LEU HA H 1 4.52 0.02 . 1 . . . . . . . . 6364 1 383 . 1 1 32 32 LEU CB C 13 44.8 0.5 . 1 . . . . . . . . 6364 1 384 . 1 1 32 32 LEU HB2 H 1 1.34 0.02 . 1 . . . . . . . . 6364 1 385 . 1 1 32 32 LEU HB3 H 1 1.34 0.02 . 1 . . . . . . . . 6364 1 386 . 1 1 32 32 LEU CG C 13 26.9 0.5 . 1 . . . . . . . . 6364 1 387 . 1 1 32 32 LEU HG H 1 1.50 0.02 . 1 . . . . . . . . 6364 1 388 . 1 1 32 32 LEU HD11 H 1 0.74 0.02 . 1 . . . . . . . . 6364 1 389 . 1 1 32 32 LEU HD12 H 1 0.74 0.02 . 1 . . . . . . . . 6364 1 390 . 1 1 32 32 LEU HD13 H 1 0.74 0.02 . 1 . . . . . . . . 6364 1 391 . 1 1 32 32 LEU HD21 H 1 0.74 0.02 . 1 . . . . . . . . 6364 1 392 . 1 1 32 32 LEU HD22 H 1 0.74 0.02 . 1 . . . . . . . . 6364 1 393 . 1 1 32 32 LEU HD23 H 1 0.74 0.02 . 1 . . . . . . . . 6364 1 394 . 1 1 32 32 LEU CD1 C 13 25.0 0.5 . 2 . . . . . . . . 6364 1 395 . 1 1 32 32 LEU CD2 C 13 24.8 0.5 . 2 . . . . . . . . 6364 1 396 . 1 1 33 33 LYS N N 15 114.0 0.5 . 1 . . . . . . . . 6364 1 397 . 1 1 33 33 LYS H H 1 7.23 0.02 . 1 . . . . . . . . 6364 1 398 . 1 1 33 33 LYS CA C 13 59.4 0.5 . 1 . . . . . . . . 6364 1 399 . 1 1 33 33 LYS HA H 1 3.69 0.02 . 1 . . . . . . . . 6364 1 400 . 1 1 33 33 LYS CB C 13 31.7 0.5 . 1 . . . . . . . . 6364 1 401 . 1 1 33 33 LYS HB2 H 1 1.57 0.02 . 1 . . . . . . . . 6364 1 402 . 1 1 33 33 LYS HB3 H 1 1.81 0.02 . 1 . . . . . . . . 6364 1 403 . 1 1 33 33 LYS CG C 13 23.1 0.5 . 1 . . . . . . . . 6364 1 404 . 1 1 33 33 LYS HG2 H 1 1.27 0.02 . 2 . . . . . . . . 6364 1 405 . 1 1 33 33 LYS HG3 H 1 1.52 0.02 . 2 . . . . . . . . 6364 1 406 . 1 1 33 33 LYS CD C 13 29.3 0.5 . 1 . . . . . . . . 6364 1 407 . 1 1 33 33 LYS HD2 H 1 1.65 0.02 . 2 . . . . . . . . 6364 1 408 . 1 1 33 33 LYS HD3 H 1 1.61 0.02 . 2 . . . . . . . . 6364 1 409 . 1 1 33 33 LYS CE C 13 41.8 0.5 . 1 . . . . . . . . 6364 1 410 . 1 1 33 33 LYS HE2 H 1 3.01 0.02 . 1 . . . . . . . . 6364 1 411 . 1 1 33 33 LYS HE3 H 1 3.01 0.02 . 1 . . . . . . . . 6364 1 412 . 1 1 34 34 ASP N N 15 118.8 0.5 . 1 . . . . . . . . 6364 1 413 . 1 1 34 34 ASP H H 1 8.40 0.02 . 1 . . . . . . . . 6364 1 414 . 1 1 34 34 ASP CA C 13 54.1 0.5 . 1 . . . . . . . . 6364 1 415 . 1 1 34 34 ASP HA H 1 4.76 0.02 . 1 . . . . . . . . 6364 1 416 . 1 1 34 34 ASP CB C 13 40.8 0.5 . 1 . . . . . . . . 6364 1 417 . 1 1 34 34 ASP HB2 H 1 2.51 0.02 . 1 . . . . . . . . 6364 1 418 . 1 1 34 34 ASP HB3 H 1 2.83 0.02 . 1 . . . . . . . . 6364 1 419 . 1 1 35 35 ILE N N 15 124.9 0.5 . 1 . . . . . . . . 6364 1 420 . 1 1 35 35 ILE H H 1 7.55 0.02 . 1 . . . . . . . . 6364 1 421 . 1 1 35 35 ILE CA C 13 62.9 0.5 . 1 . . . . . . . . 6364 1 422 . 1 1 35 35 ILE HA H 1 4.01 0.02 . 1 . . . . . . . . 6364 1 423 . 1 1 35 35 ILE CB C 13 38.2 0.5 . 1 . . . . . . . . 6364 1 424 . 1 1 35 35 ILE HB H 1 0.97 0.02 . 1 . . . . . . . . 6364 1 425 . 1 1 35 35 ILE HG21 H 1 0.66 0.02 . 1 . . . . . . . . 6364 1 426 . 1 1 35 35 ILE HG22 H 1 0.66 0.02 . 1 . . . . . . . . 6364 1 427 . 1 1 35 35 ILE HG23 H 1 0.66 0.02 . 1 . . . . . . . . 6364 1 428 . 1 1 35 35 ILE CG2 C 13 16.1 0.5 . 1 . . . . . . . . 6364 1 429 . 1 1 35 35 ILE CG1 C 13 29.3 0.5 . 1 . . . . . . . . 6364 1 430 . 1 1 35 35 ILE HG12 H 1 1.48 0.02 . 2 . . . . . . . . 6364 1 431 . 1 1 35 35 ILE HG13 H 1 0.67 0.02 . 2 . . . . . . . . 6364 1 432 . 1 1 35 35 ILE HD11 H 1 0.16 0.02 . 1 . . . . . . . . 6364 1 433 . 1 1 35 35 ILE HD12 H 1 0.16 0.02 . 1 . . . . . . . . 6364 1 434 . 1 1 35 35 ILE HD13 H 1 0.16 0.02 . 1 . . . . . . . . 6364 1 435 . 1 1 35 35 ILE CD1 C 13 13.7 0.5 . 1 . . . . . . . . 6364 1 436 . 1 1 36 36 LYS N N 15 123.9 0.5 . 1 . . . . . . . . 6364 1 437 . 1 1 36 36 LYS H H 1 8.89 0.02 . 1 . . . . . . . . 6364 1 438 . 1 1 36 36 LYS CA C 13 54.3 0.5 . 1 . . . . . . . . 6364 1 439 . 1 1 36 36 LYS HA H 1 4.62 0.02 . 1 . . . . . . . . 6364 1 440 . 1 1 36 36 LYS CB C 13 36.6 0.5 . 1 . . . . . . . . 6364 1 441 . 1 1 36 36 LYS HB2 H 1 1.72 0.02 . 2 . . . . . . . . 6364 1 442 . 1 1 36 36 LYS HB3 H 1 1.79 0.02 . 2 . . . . . . . . 6364 1 443 . 1 1 36 36 LYS CG C 13 22.5 0.5 . 1 . . . . . . . . 6364 1 444 . 1 1 36 36 LYS HG2 H 1 1.34 0.02 . 2 . . . . . . . . 6364 1 445 . 1 1 36 36 LYS HG3 H 1 1.60 0.02 . 2 . . . . . . . . 6364 1 446 . 1 1 36 36 LYS CD C 13 29.2 0.5 . 1 . . . . . . . . 6364 1 447 . 1 1 36 36 LYS HD2 H 1 1.68 0.02 . 1 . . . . . . . . 6364 1 448 . 1 1 36 36 LYS HD3 H 1 1.68 0.02 . 1 . . . . . . . . 6364 1 449 . 1 1 36 36 LYS CE C 13 42.1 0.5 . 1 . . . . . . . . 6364 1 450 . 1 1 36 36 LYS HE2 H 1 3.08 0.02 . 1 . . . . . . . . 6364 1 451 . 1 1 36 36 LYS HE3 H 1 3.08 0.02 . 1 . . . . . . . . 6364 1 452 . 1 1 37 37 ARG N N 15 118.6 0.5 . 1 . . . . . . . . 6364 1 453 . 1 1 37 37 ARG H H 1 8.36 0.02 . 1 . . . . . . . . 6364 1 454 . 1 1 37 37 ARG CA C 13 57.7 0.5 . 1 . . . . . . . . 6364 1 455 . 1 1 37 37 ARG HA H 1 3.57 0.02 . 1 . . . . . . . . 6364 1 456 . 1 1 37 37 ARG CB C 13 29.8 0.5 . 1 . . . . . . . . 6364 1 457 . 1 1 37 37 ARG HB2 H 1 1.65 0.02 . 1 . . . . . . . . 6364 1 458 . 1 1 37 37 ARG HB3 H 1 1.69 0.02 . 1 . . . . . . . . 6364 1 459 . 1 1 37 37 ARG CG C 13 26.7 0.5 . 1 . . . . . . . . 6364 1 460 . 1 1 37 37 ARG HG2 H 1 1.47 0.02 . 2 . . . . . . . . 6364 1 461 . 1 1 37 37 ARG HG3 H 1 1.73 0.02 . 2 . . . . . . . . 6364 1 462 . 1 1 37 37 ARG CD C 13 43.4 0.5 . 1 . . . . . . . . 6364 1 463 . 1 1 37 37 ARG HD2 H 1 3.24 0.02 . 2 . . . . . . . . 6364 1 464 . 1 1 37 37 ARG HD3 H 1 3.35 0.02 . 2 . . . . . . . . 6364 1 465 . 1 1 38 38 GLY N N 15 116.2 0.5 . 1 . . . . . . . . 6364 1 466 . 1 1 38 38 GLY H H 1 8.96 0.02 . 1 . . . . . . . . 6364 1 467 . 1 1 38 38 GLY CA C 13 44.6 0.5 . 1 . . . . . . . . 6364 1 468 . 1 1 38 38 GLY HA2 H 1 4.48 0.02 . 2 . . . . . . . . 6364 1 469 . 1 1 38 38 GLY HA3 H 1 3.71 0.02 . 2 . . . . . . . . 6364 1 470 . 1 1 39 39 ASP N N 15 119.7 0.5 . 1 . . . . . . . . 6364 1 471 . 1 1 39 39 ASP H H 1 8.03 0.02 . 1 . . . . . . . . 6364 1 472 . 1 1 39 39 ASP CA C 13 55.2 0.5 . 1 . . . . . . . . 6364 1 473 . 1 1 39 39 ASP HA H 1 5.01 0.02 . 1 . . . . . . . . 6364 1 474 . 1 1 39 39 ASP CB C 13 41.2 0.5 . 1 . . . . . . . . 6364 1 475 . 1 1 39 39 ASP HB2 H 1 3.06 0.02 . 1 . . . . . . . . 6364 1 476 . 1 1 39 39 ASP HB3 H 1 2.96 0.02 . 1 . . . . . . . . 6364 1 477 . 1 1 40 40 LYS N N 15 118.7 0.5 . 1 . . . . . . . . 6364 1 478 . 1 1 40 40 LYS H H 1 8.59 0.02 . 1 . . . . . . . . 6364 1 479 . 1 1 40 40 LYS CA C 13 54.2 0.5 . 1 . . . . . . . . 6364 1 480 . 1 1 40 40 LYS HA H 1 5.29 0.02 . 1 . . . . . . . . 6364 1 481 . 1 1 40 40 LYS CB C 13 36.3 0.5 . 1 . . . . . . . . 6364 1 482 . 1 1 40 40 LYS HB2 H 1 1.76 0.02 . 1 . . . . . . . . 6364 1 483 . 1 1 40 40 LYS HB3 H 1 1.76 0.02 . 1 . . . . . . . . 6364 1 484 . 1 1 40 40 LYS CG C 13 25.3 0.5 . 1 . . . . . . . . 6364 1 485 . 1 1 40 40 LYS HG2 H 1 1.28 0.02 . 2 . . . . . . . . 6364 1 486 . 1 1 40 40 LYS HG3 H 1 1.53 0.02 . 2 . . . . . . . . 6364 1 487 . 1 1 40 40 LYS CD C 13 29.3 0.5 . 1 . . . . . . . . 6364 1 488 . 1 1 40 40 LYS HD2 H 1 1.61 0.02 . 1 . . . . . . . . 6364 1 489 . 1 1 40 40 LYS HD3 H 1 1.61 0.02 . 1 . . . . . . . . 6364 1 490 . 1 1 40 40 LYS CE C 13 41.7 0.5 . 1 . . . . . . . . 6364 1 491 . 1 1 40 40 LYS HE2 H 1 2.79 0.02 . 2 . . . . . . . . 6364 1 492 . 1 1 40 40 LYS HE3 H 1 2.86 0.02 . 2 . . . . . . . . 6364 1 493 . 1 1 41 41 ILE N N 15 122.3 0.5 . 1 . . . . . . . . 6364 1 494 . 1 1 41 41 ILE H H 1 8.94 0.02 . 1 . . . . . . . . 6364 1 495 . 1 1 41 41 ILE CA C 13 58.2 0.5 . 1 . . . . . . . . 6364 1 496 . 1 1 41 41 ILE HA H 1 4.88 0.02 . 1 . . . . . . . . 6364 1 497 . 1 1 41 41 ILE CB C 13 42.4 0.5 . 1 . . . . . . . . 6364 1 498 . 1 1 41 41 ILE HB H 1 0.69 0.02 . 1 . . . . . . . . 6364 1 499 . 1 1 41 41 ILE HG21 H 1 -0.43 0.02 . 1 . . . . . . . . 6364 1 500 . 1 1 41 41 ILE HG22 H 1 -0.43 0.02 . 1 . . . . . . . . 6364 1 501 . 1 1 41 41 ILE HG23 H 1 -0.43 0.02 . 1 . . . . . . . . 6364 1 502 . 1 1 41 41 ILE CG2 C 13 15.8 0.5 . 1 . . . . . . . . 6364 1 503 . 1 1 41 41 ILE CG1 C 13 27.2 0.5 . 1 . . . . . . . . 6364 1 504 . 1 1 41 41 ILE HG12 H 1 1.19 0.02 . 1 . . . . . . . . 6364 1 505 . 1 1 41 41 ILE HG13 H 1 0.41 0.02 . 1 . . . . . . . . 6364 1 506 . 1 1 41 41 ILE HD11 H 1 0.28 0.02 . 1 . . . . . . . . 6364 1 507 . 1 1 41 41 ILE HD12 H 1 0.28 0.02 . 1 . . . . . . . . 6364 1 508 . 1 1 41 41 ILE HD13 H 1 0.28 0.02 . 1 . . . . . . . . 6364 1 509 . 1 1 41 41 ILE CD1 C 13 14.3 0.5 . 1 . . . . . . . . 6364 1 510 . 1 1 42 42 ILE N N 15 122.8 0.5 . 1 . . . . . . . . 6364 1 511 . 1 1 42 42 ILE H H 1 8.33 0.02 . 1 . . . . . . . . 6364 1 512 . 1 1 42 42 ILE CA C 13 59.3 0.5 . 1 . . . . . . . . 6364 1 513 . 1 1 42 42 ILE HA H 1 4.51 0.02 . 1 . . . . . . . . 6364 1 514 . 1 1 42 42 ILE CB C 13 39.2 0.5 . 1 . . . . . . . . 6364 1 515 . 1 1 42 42 ILE HB H 1 1.46 0.02 . 1 . . . . . . . . 6364 1 516 . 1 1 42 42 ILE HG21 H 1 0.55 0.02 . 1 . . . . . . . . 6364 1 517 . 1 1 42 42 ILE HG22 H 1 0.55 0.02 . 1 . . . . . . . . 6364 1 518 . 1 1 42 42 ILE HG23 H 1 0.55 0.02 . 1 . . . . . . . . 6364 1 519 . 1 1 42 42 ILE CG2 C 13 17.4 0.5 . 1 . . . . . . . . 6364 1 520 . 1 1 42 42 ILE CG1 C 13 27.1 0.5 . 1 . . . . . . . . 6364 1 521 . 1 1 42 42 ILE HG12 H 1 1.27 0.02 . 1 . . . . . . . . 6364 1 522 . 1 1 42 42 ILE HG13 H 1 0.82 0.02 . 1 . . . . . . . . 6364 1 523 . 1 1 42 42 ILE HD11 H 1 0.66 0.02 . 1 . . . . . . . . 6364 1 524 . 1 1 42 42 ILE HD12 H 1 0.66 0.02 . 1 . . . . . . . . 6364 1 525 . 1 1 42 42 ILE HD13 H 1 0.66 0.02 . 1 . . . . . . . . 6364 1 526 . 1 1 42 42 ILE CD1 C 13 12.5 0.5 . 1 . . . . . . . . 6364 1 527 . 1 1 43 43 PHE N N 15 128.0 0.5 . 1 . . . . . . . . 6364 1 528 . 1 1 43 43 PHE H H 1 9.39 0.02 . 1 . . . . . . . . 6364 1 529 . 1 1 43 43 PHE CA C 13 56.9 0.5 . 1 . . . . . . . . 6364 1 530 . 1 1 43 43 PHE HA H 1 5.28 0.02 . 1 . . . . . . . . 6364 1 531 . 1 1 43 43 PHE CB C 13 39.3 0.5 . 1 . . . . . . . . 6364 1 532 . 1 1 43 43 PHE HB2 H 1 2.72 0.02 . 2 . . . . . . . . 6364 1 533 . 1 1 43 43 PHE HB3 H 1 2.69 0.02 . 2 . . . . . . . . 6364 1 534 . 1 1 43 43 PHE HD1 H 1 6.75 0.02 . 1 . . . . . . . . 6364 1 535 . 1 1 43 43 PHE HD2 H 1 6.75 0.02 . 1 . . . . . . . . 6364 1 536 . 1 1 43 43 PHE HE1 H 1 6.17 0.02 . 1 . . . . . . . . 6364 1 537 . 1 1 43 43 PHE HE2 H 1 6.17 0.02 . 1 . . . . . . . . 6364 1 538 . 1 1 43 43 PHE CD1 C 13 130.8 0.5 . 1 . . . . . . . . 6364 1 539 . 1 1 43 43 PHE CE1 C 13 129.7 0.5 . 1 . . . . . . . . 6364 1 540 . 1 1 43 43 PHE CZ C 13 128.1 0.5 . 1 . . . . . . . . 6364 1 541 . 1 1 43 43 PHE HZ H 1 5.76 0.02 . 1 . . . . . . . . 6364 1 542 . 1 1 43 43 PHE CE2 C 13 129.7 0.5 . 1 . . . . . . . . 6364 1 543 . 1 1 43 43 PHE CD2 C 13 130.8 0.5 . 1 . . . . . . . . 6364 1 544 . 1 1 44 44 ASN N N 15 125.6 0.5 . 1 . . . . . . . . 6364 1 545 . 1 1 44 44 ASN H H 1 9.19 0.02 . 1 . . . . . . . . 6364 1 546 . 1 1 44 44 ASN CA C 13 54.5 0.5 . 1 . . . . . . . . 6364 1 547 . 1 1 44 44 ASN HA H 1 4.10 0.02 . 1 . . . . . . . . 6364 1 548 . 1 1 44 44 ASN CB C 13 34.8 0.5 . 1 . . . . . . . . 6364 1 549 . 1 1 44 44 ASN HB2 H 1 2.66 0.02 . 1 . . . . . . . . 6364 1 550 . 1 1 44 44 ASN HB3 H 1 3.19 0.02 . 1 . . . . . . . . 6364 1 551 . 1 1 44 44 ASN ND2 N 15 112.5 0.5 . 1 . . . . . . . . 6364 1 552 . 1 1 44 44 ASN HD21 H 1 7.72 0.02 . 1 . . . . . . . . 6364 1 553 . 1 1 44 44 ASN HD22 H 1 7.91 0.02 . 1 . . . . . . . . 6364 1 554 . 1 1 45 45 ASP N N 15 110.7 0.5 . 1 . . . . . . . . 6364 1 555 . 1 1 45 45 ASP H H 1 9.07 0.02 . 1 . . . . . . . . 6364 1 556 . 1 1 45 45 ASP CA C 13 56.5 0.5 . 1 . . . . . . . . 6364 1 557 . 1 1 45 45 ASP HA H 1 4.02 0.02 . 1 . . . . . . . . 6364 1 558 . 1 1 45 45 ASP CB C 13 40.2 0.5 . 1 . . . . . . . . 6364 1 559 . 1 1 45 45 ASP HB2 H 1 2.91 0.02 . 2 . . . . . . . . 6364 1 560 . 1 1 45 45 ASP HB3 H 1 2.94 0.02 . 2 . . . . . . . . 6364 1 561 . 1 1 46 46 LEU N N 15 118.2 0.5 . 1 . . . . . . . . 6364 1 562 . 1 1 46 46 LEU H H 1 7.99 0.02 . 1 . . . . . . . . 6364 1 563 . 1 1 46 46 LEU CA C 13 56.7 0.5 . 1 . . . . . . . . 6364 1 564 . 1 1 46 46 LEU HA H 1 4.69 0.02 . 1 . . . . . . . . 6364 1 565 . 1 1 46 46 LEU CB C 13 47.7 0.5 . 1 . . . . . . . . 6364 1 566 . 1 1 46 46 LEU HB2 H 1 1.54 0.02 . 1 . . . . . . . . 6364 1 567 . 1 1 46 46 LEU HB3 H 1 1.54 0.02 . 1 . . . . . . . . 6364 1 568 . 1 1 46 46 LEU CG C 13 26.6 0.5 . 1 . . . . . . . . 6364 1 569 . 1 1 46 46 LEU HG H 1 1.60 0.02 . 1 . . . . . . . . 6364 1 570 . 1 1 46 46 LEU HD11 H 1 0.96 0.02 . 2 . . . . . . . . 6364 1 571 . 1 1 46 46 LEU HD12 H 1 0.96 0.02 . 2 . . . . . . . . 6364 1 572 . 1 1 46 46 LEU HD13 H 1 0.96 0.02 . 2 . . . . . . . . 6364 1 573 . 1 1 46 46 LEU HD21 H 1 0.93 0.02 . 2 . . . . . . . . 6364 1 574 . 1 1 46 46 LEU HD22 H 1 0.93 0.02 . 2 . . . . . . . . 6364 1 575 . 1 1 46 46 LEU HD23 H 1 0.93 0.02 . 2 . . . . . . . . 6364 1 576 . 1 1 46 46 LEU CD1 C 13 24.1 0.5 . 2 . . . . . . . . 6364 1 577 . 1 1 46 46 LEU CD2 C 13 24.2 0.5 . 2 . . . . . . . . 6364 1 578 . 1 1 47 47 ILE N N 15 119.3 0.5 . 1 . . . . . . . . 6364 1 579 . 1 1 47 47 ILE H H 1 8.11 0.02 . 1 . . . . . . . . 6364 1 580 . 1 1 47 47 ILE CA C 13 57.1 0.5 . 1 . . . . . . . . 6364 1 581 . 1 1 47 47 ILE HA H 1 4.83 0.02 . 1 . . . . . . . . 6364 1 582 . 1 1 47 47 ILE CB C 13 40.1 0.5 . 1 . . . . . . . . 6364 1 583 . 1 1 47 47 ILE HB H 1 2.15 0.02 . 1 . . . . . . . . 6364 1 584 . 1 1 47 47 ILE HG21 H 1 0.98 0.02 . 1 . . . . . . . . 6364 1 585 . 1 1 47 47 ILE HG22 H 1 0.98 0.02 . 1 . . . . . . . . 6364 1 586 . 1 1 47 47 ILE HG23 H 1 0.98 0.02 . 1 . . . . . . . . 6364 1 587 . 1 1 47 47 ILE CG2 C 13 17.2 0.5 . 1 . . . . . . . . 6364 1 588 . 1 1 47 47 ILE CG1 C 13 26.7 0.5 . 1 . . . . . . . . 6364 1 589 . 1 1 47 47 ILE HG12 H 1 1.42 0.02 . 1 . . . . . . . . 6364 1 590 . 1 1 47 47 ILE HG13 H 1 1.42 0.02 . 1 . . . . . . . . 6364 1 591 . 1 1 47 47 ILE HD11 H 1 0.84 0.02 . 1 . . . . . . . . 6364 1 592 . 1 1 47 47 ILE HD12 H 1 0.84 0.02 . 1 . . . . . . . . 6364 1 593 . 1 1 47 47 ILE HD13 H 1 0.84 0.02 . 1 . . . . . . . . 6364 1 594 . 1 1 47 47 ILE CD1 C 13 12.0 0.5 . 1 . . . . . . . . 6364 1 595 . 1 1 48 48 PRO CD C 13 50.9 0.5 . 1 . . . . . . . . 6364 1 596 . 1 1 48 48 PRO CA C 13 61.1 0.5 . 1 . . . . . . . . 6364 1 597 . 1 1 48 48 PRO HA H 1 5.32 0.02 . 1 . . . . . . . . 6364 1 598 . 1 1 48 48 PRO CB C 13 32.6 0.5 . 1 . . . . . . . . 6364 1 599 . 1 1 48 48 PRO HB2 H 1 1.88 0.02 . 1 . . . . . . . . 6364 1 600 . 1 1 48 48 PRO HB3 H 1 2.09 0.02 . 1 . . . . . . . . 6364 1 601 . 1 1 48 48 PRO CG C 13 26.4 0.5 . 1 . . . . . . . . 6364 1 602 . 1 1 48 48 PRO HG2 H 1 2.02 0.02 . 2 . . . . . . . . 6364 1 603 . 1 1 48 48 PRO HG3 H 1 2.33 0.02 . 2 . . . . . . . . 6364 1 604 . 1 1 48 48 PRO HD2 H 1 4.05 0.02 . 1 . . . . . . . . 6364 1 605 . 1 1 48 48 PRO HD3 H 1 4.05 0.02 . 1 . . . . . . . . 6364 1 606 . 1 1 49 49 ALA N N 15 122.9 0.5 . 1 . . . . . . . . 6364 1 607 . 1 1 49 49 ALA H H 1 9.48 0.02 . 1 . . . . . . . . 6364 1 608 . 1 1 49 49 ALA CA C 13 50.7 0.5 . 1 . . . . . . . . 6364 1 609 . 1 1 49 49 ALA HA H 1 5.14 0.02 . 1 . . . . . . . . 6364 1 610 . 1 1 49 49 ALA HB1 H 1 1.16 0.02 . 1 . . . . . . . . 6364 1 611 . 1 1 49 49 ALA HB2 H 1 1.16 0.02 . 1 . . . . . . . . 6364 1 612 . 1 1 49 49 ALA HB3 H 1 1.16 0.02 . 1 . . . . . . . . 6364 1 613 . 1 1 49 49 ALA CB C 13 23.6 0.5 . 1 . . . . . . . . 6364 1 614 . 1 1 50 50 GLU N N 15 120.7 0.5 . 1 . . . . . . . . 6364 1 615 . 1 1 50 50 GLU H H 1 9.04 0.02 . 1 . . . . . . . . 6364 1 616 . 1 1 50 50 GLU CA C 13 54.2 0.5 . 1 . . . . . . . . 6364 1 617 . 1 1 50 50 GLU HA H 1 4.99 0.02 . 1 . . . . . . . . 6364 1 618 . 1 1 50 50 GLU CB C 13 33.1 0.5 . 1 . . . . . . . . 6364 1 619 . 1 1 50 50 GLU HB2 H 1 1.97 0.02 . 1 . . . . . . . . 6364 1 620 . 1 1 50 50 GLU HB3 H 1 2.05 0.02 . 1 . . . . . . . . 6364 1 621 . 1 1 50 50 GLU CG C 13 36.4 0.5 . 1 . . . . . . . . 6364 1 622 . 1 1 50 50 GLU HG2 H 1 2.15 0.02 . 2 . . . . . . . . 6364 1 623 . 1 1 50 50 GLU HG3 H 1 2.19 0.02 . 2 . . . . . . . . 6364 1 624 . 1 1 51 51 VAL N N 15 125.0 0.5 . 1 . . . . . . . . 6364 1 625 . 1 1 51 51 VAL H H 1 8.96 0.02 . 1 . . . . . . . . 6364 1 626 . 1 1 51 51 VAL CA C 13 64.0 0.5 . 1 . . . . . . . . 6364 1 627 . 1 1 51 51 VAL HA H 1 3.84 0.02 . 1 . . . . . . . . 6364 1 628 . 1 1 51 51 VAL CB C 13 31.2 0.5 . 1 . . . . . . . . 6364 1 629 . 1 1 51 51 VAL HB H 1 2.16 0.02 . 1 . . . . . . . . 6364 1 630 . 1 1 51 51 VAL HG11 H 1 0.62 0.02 . 1 . . . . . . . . 6364 1 631 . 1 1 51 51 VAL HG12 H 1 0.62 0.02 . 1 . . . . . . . . 6364 1 632 . 1 1 51 51 VAL HG13 H 1 0.62 0.02 . 1 . . . . . . . . 6364 1 633 . 1 1 51 51 VAL HG21 H 1 0.70 0.02 . 1 . . . . . . . . 6364 1 634 . 1 1 51 51 VAL HG22 H 1 0.70 0.02 . 1 . . . . . . . . 6364 1 635 . 1 1 51 51 VAL HG23 H 1 0.70 0.02 . 1 . . . . . . . . 6364 1 636 . 1 1 51 51 VAL CG1 C 13 22.6 0.5 . 1 . . . . . . . . 6364 1 637 . 1 1 51 51 VAL CG2 C 13 22.1 0.5 . 1 . . . . . . . . 6364 1 638 . 1 1 52 52 VAL N N 15 129.6 0.5 . 1 . . . . . . . . 6364 1 639 . 1 1 52 52 VAL H H 1 9.48 0.02 . 1 . . . . . . . . 6364 1 640 . 1 1 52 52 VAL CA C 13 63.1 0.5 . 1 . . . . . . . . 6364 1 641 . 1 1 52 52 VAL HA H 1 4.24 0.02 . 1 . . . . . . . . 6364 1 642 . 1 1 52 52 VAL CB C 13 33.0 0.5 . 1 . . . . . . . . 6364 1 643 . 1 1 52 52 VAL HB H 1 1.86 0.02 . 1 . . . . . . . . 6364 1 644 . 1 1 52 52 VAL HG11 H 1 0.84 0.02 . 1 . . . . . . . . 6364 1 645 . 1 1 52 52 VAL HG12 H 1 0.84 0.02 . 1 . . . . . . . . 6364 1 646 . 1 1 52 52 VAL HG13 H 1 0.84 0.02 . 1 . . . . . . . . 6364 1 647 . 1 1 52 52 VAL HG21 H 1 0.94 0.02 . 1 . . . . . . . . 6364 1 648 . 1 1 52 52 VAL HG22 H 1 0.94 0.02 . 1 . . . . . . . . 6364 1 649 . 1 1 52 52 VAL HG23 H 1 0.94 0.02 . 1 . . . . . . . . 6364 1 650 . 1 1 52 52 VAL CG1 C 13 20.3 0.5 . 1 . . . . . . . . 6364 1 651 . 1 1 52 52 VAL CG2 C 13 21.0 0.5 . 1 . . . . . . . . 6364 1 652 . 1 1 53 53 GLU N N 15 118.1 0.5 . 1 . . . . . . . . 6364 1 653 . 1 1 53 53 GLU H H 1 7.62 0.02 . 1 . . . . . . . . 6364 1 654 . 1 1 53 53 GLU CA C 13 56.1 0.5 . 1 . . . . . . . . 6364 1 655 . 1 1 53 53 GLU HA H 1 4.50 0.02 . 1 . . . . . . . . 6364 1 656 . 1 1 53 53 GLU CB C 13 33.5 0.5 . 1 . . . . . . . . 6364 1 657 . 1 1 53 53 GLU HB2 H 1 1.82 0.02 . 2 . . . . . . . . 6364 1 658 . 1 1 53 53 GLU HB3 H 1 2.14 0.02 . 2 . . . . . . . . 6364 1 659 . 1 1 53 53 GLU CG C 13 36.5 0.5 . 1 . . . . . . . . 6364 1 660 . 1 1 53 53 GLU HG2 H 1 2.07 0.02 . 2 . . . . . . . . 6364 1 661 . 1 1 53 53 GLU HG3 H 1 2.27 0.02 . 2 . . . . . . . . 6364 1 662 . 1 1 54 54 VAL N N 15 124.4 0.5 . 1 . . . . . . . . 6364 1 663 . 1 1 54 54 VAL H H 1 8.80 0.02 . 1 . . . . . . . . 6364 1 664 . 1 1 54 54 VAL CA C 13 61.5 0.5 . 1 . . . . . . . . 6364 1 665 . 1 1 54 54 VAL HA H 1 4.71 0.02 . 1 . . . . . . . . 6364 1 666 . 1 1 54 54 VAL CB C 13 34.7 0.5 . 1 . . . . . . . . 6364 1 667 . 1 1 54 54 VAL HB H 1 1.85 0.02 . 1 . . . . . . . . 6364 1 668 . 1 1 54 54 VAL HG11 H 1 0.71 0.02 . 2 . . . . . . . . 6364 1 669 . 1 1 54 54 VAL HG12 H 1 0.71 0.02 . 2 . . . . . . . . 6364 1 670 . 1 1 54 54 VAL HG13 H 1 0.71 0.02 . 2 . . . . . . . . 6364 1 671 . 1 1 54 54 VAL HG21 H 1 0.69 0.02 . 2 . . . . . . . . 6364 1 672 . 1 1 54 54 VAL HG22 H 1 0.69 0.02 . 2 . . . . . . . . 6364 1 673 . 1 1 54 54 VAL HG23 H 1 0.69 0.02 . 2 . . . . . . . . 6364 1 674 . 1 1 54 54 VAL CG1 C 13 21.2 0.5 . 2 . . . . . . . . 6364 1 675 . 1 1 54 54 VAL CG2 C 13 21.9 0.5 . 2 . . . . . . . . 6364 1 676 . 1 1 55 55 LYS N N 15 127.5 0.5 . 1 . . . . . . . . 6364 1 677 . 1 1 55 55 LYS H H 1 8.49 0.02 . 1 . . . . . . . . 6364 1 678 . 1 1 55 55 LYS CA C 13 54.5 0.5 . 1 . . . . . . . . 6364 1 679 . 1 1 55 55 LYS HA H 1 4.56 0.02 . 1 . . . . . . . . 6364 1 680 . 1 1 55 55 LYS CB C 13 36.1 0.5 . 1 . . . . . . . . 6364 1 681 . 1 1 55 55 LYS HB2 H 1 1.52 0.02 . 2 . . . . . . . . 6364 1 682 . 1 1 55 55 LYS HB3 H 1 1.62 0.02 . 2 . . . . . . . . 6364 1 683 . 1 1 55 55 LYS CG C 13 24.9 0.5 . 1 . . . . . . . . 6364 1 684 . 1 1 55 55 LYS HG2 H 1 1.06 0.02 . 2 . . . . . . . . 6364 1 685 . 1 1 55 55 LYS HG3 H 1 1.33 0.02 . 2 . . . . . . . . 6364 1 686 . 1 1 55 55 LYS CD C 13 28.7 0.5 . 1 . . . . . . . . 6364 1 687 . 1 1 55 55 LYS HD2 H 1 1.63 0.02 . 1 . . . . . . . . 6364 1 688 . 1 1 55 55 LYS HD3 H 1 1.63 0.02 . 1 . . . . . . . . 6364 1 689 . 1 1 55 55 LYS CE C 13 41.8 0.5 . 1 . . . . . . . . 6364 1 690 . 1 1 55 55 LYS HE2 H 1 2.79 0.02 . 1 . . . . . . . . 6364 1 691 . 1 1 55 55 LYS HE3 H 1 2.79 0.02 . 1 . . . . . . . . 6364 1 692 . 1 1 56 56 LYS N N 15 124.0 0.5 . 1 . . . . . . . . 6364 1 693 . 1 1 56 56 LYS H H 1 8.24 0.02 . 1 . . . . . . . . 6364 1 694 . 1 1 56 56 LYS CA C 13 55.0 0.5 . 1 . . . . . . . . 6364 1 695 . 1 1 56 56 LYS HA H 1 4.84 0.02 . 1 . . . . . . . . 6364 1 696 . 1 1 56 56 LYS CB C 13 33.6 0.5 . 1 . . . . . . . . 6364 1 697 . 1 1 56 56 LYS HB2 H 1 1.46 0.02 . 2 . . . . . . . . 6364 1 698 . 1 1 56 56 LYS HB3 H 1 1.68 0.02 . 2 . . . . . . . . 6364 1 699 . 1 1 56 56 LYS CG C 13 25.2 0.5 . 1 . . . . . . . . 6364 1 700 . 1 1 56 56 LYS HG2 H 1 1.19 0.02 . 2 . . . . . . . . 6364 1 701 . 1 1 56 56 LYS HG3 H 1 1.23 0.02 . 2 . . . . . . . . 6364 1 702 . 1 1 56 56 LYS CD C 13 29.0 0.5 . 1 . . . . . . . . 6364 1 703 . 1 1 56 56 LYS HD2 H 1 1.62 0.02 . 1 . . . . . . . . 6364 1 704 . 1 1 56 56 LYS HD3 H 1 1.62 0.02 . 1 . . . . . . . . 6364 1 705 . 1 1 56 56 LYS CE C 13 42.0 0.5 . 1 . . . . . . . . 6364 1 706 . 1 1 56 56 LYS HE2 H 1 2.89 0.02 . 1 . . . . . . . . 6364 1 707 . 1 1 56 56 LYS HE3 H 1 2.89 0.02 . 1 . . . . . . . . 6364 1 708 . 1 1 57 57 TYR N N 15 123.4 0.5 . 1 . . . . . . . . 6364 1 709 . 1 1 57 57 TYR H H 1 9.14 0.02 . 1 . . . . . . . . 6364 1 710 . 1 1 57 57 TYR CA C 13 56.6 0.5 . 1 . . . . . . . . 6364 1 711 . 1 1 57 57 TYR HA H 1 4.74 0.02 . 1 . . . . . . . . 6364 1 712 . 1 1 57 57 TYR CB C 13 42.9 0.5 . 1 . . . . . . . . 6364 1 713 . 1 1 57 57 TYR HB2 H 1 3.06 0.02 . 1 . . . . . . . . 6364 1 714 . 1 1 57 57 TYR HB3 H 1 2.14 0.02 . 1 . . . . . . . . 6364 1 715 . 1 1 57 57 TYR HD1 H 1 6.83 0.02 . 1 . . . . . . . . 6364 1 716 . 1 1 57 57 TYR HD2 H 1 6.83 0.02 . 1 . . . . . . . . 6364 1 717 . 1 1 57 57 TYR HE1 H 1 6.61 0.02 . 1 . . . . . . . . 6364 1 718 . 1 1 57 57 TYR HE2 H 1 6.61 0.02 . 1 . . . . . . . . 6364 1 719 . 1 1 57 57 TYR CD1 C 13 132.6 0.5 . 1 . . . . . . . . 6364 1 720 . 1 1 57 57 TYR CE1 C 13 117.2 0.5 . 1 . . . . . . . . 6364 1 721 . 1 1 57 57 TYR CE2 C 13 117.2 0.5 . 1 . . . . . . . . 6364 1 722 . 1 1 57 57 TYR CD2 C 13 132.6 0.5 . 1 . . . . . . . . 6364 1 723 . 1 1 58 58 GLU N N 15 118.9 0.5 . 1 . . . . . . . . 6364 1 724 . 1 1 58 58 GLU H H 1 9.05 0.02 . 1 . . . . . . . . 6364 1 725 . 1 1 58 58 GLU CA C 13 58.8 0.5 . 1 . . . . . . . . 6364 1 726 . 1 1 58 58 GLU HA H 1 4.27 0.02 . 1 . . . . . . . . 6364 1 727 . 1 1 58 58 GLU CB C 13 31.1 0.5 . 1 . . . . . . . . 6364 1 728 . 1 1 58 58 GLU HB2 H 1 2.17 0.02 . 1 . . . . . . . . 6364 1 729 . 1 1 58 58 GLU HB3 H 1 2.17 0.02 . 1 . . . . . . . . 6364 1 730 . 1 1 58 58 GLU CG C 13 37.1 0.5 . 1 . . . . . . . . 6364 1 731 . 1 1 58 58 GLU HG2 H 1 2.32 0.02 . 2 . . . . . . . . 6364 1 732 . 1 1 58 58 GLU HG3 H 1 2.43 0.02 . 2 . . . . . . . . 6364 1 733 . 1 1 59 59 THR HB H 1 4.31 0.02 . 1 . . . . . . . . 6364 1 734 . 1 1 59 59 THR HG21 H 1 1.20 0.02 . 1 . . . . . . . . 6364 1 735 . 1 1 59 59 THR HG22 H 1 1.20 0.02 . 1 . . . . . . . . 6364 1 736 . 1 1 59 59 THR HG23 H 1 1.20 0.02 . 1 . . . . . . . . 6364 1 737 . 1 1 59 59 THR CG2 C 13 21.0 0.5 . 1 . . . . . . . . 6364 1 738 . 1 1 61 61 ARG CA C 13 60.3 0.5 . 1 . . . . . . . . 6364 1 739 . 1 1 61 61 ARG HA H 1 3.80 0.02 . 1 . . . . . . . . 6364 1 740 . 1 1 61 61 ARG CB C 13 30.3 0.5 . 1 . . . . . . . . 6364 1 741 . 1 1 61 61 ARG HB2 H 1 1.95 0.02 . 2 . . . . . . . . 6364 1 742 . 1 1 61 61 ARG HB3 H 1 1.98 0.02 . 2 . . . . . . . . 6364 1 743 . 1 1 61 61 ARG CG C 13 29.0 0.5 . 1 . . . . . . . . 6364 1 744 . 1 1 61 61 ARG HG2 H 1 1.71 0.02 . 1 . . . . . . . . 6364 1 745 . 1 1 61 61 ARG HG3 H 1 1.71 0.02 . 1 . . . . . . . . 6364 1 746 . 1 1 61 61 ARG CD C 13 43.2 0.5 . 1 . . . . . . . . 6364 1 747 . 1 1 61 61 ARG HD2 H 1 3.39 0.02 . 1 . . . . . . . . 6364 1 748 . 1 1 61 61 ARG HD3 H 1 3.39 0.02 . 1 . . . . . . . . 6364 1 749 . 1 1 62 62 GLN N N 15 116.6 0.5 . 1 . . . . . . . . 6364 1 750 . 1 1 62 62 GLN H H 1 7.64 0.02 . 1 . . . . . . . . 6364 1 751 . 1 1 62 62 GLN CA C 13 58.8 0.5 . 1 . . . . . . . . 6364 1 752 . 1 1 62 62 GLN HA H 1 3.89 0.02 . 1 . . . . . . . . 6364 1 753 . 1 1 62 62 GLN CB C 13 28.7 0.5 . 1 . . . . . . . . 6364 1 754 . 1 1 62 62 GLN HB2 H 1 2.17 0.02 . 2 . . . . . . . . 6364 1 755 . 1 1 62 62 GLN HB3 H 1 2.21 0.02 . 2 . . . . . . . . 6364 1 756 . 1 1 62 62 GLN CG C 13 33.9 0.5 . 1 . . . . . . . . 6364 1 757 . 1 1 62 62 GLN HG2 H 1 2.51 0.02 . 2 . . . . . . . . 6364 1 758 . 1 1 62 62 GLN HG3 H 1 2.60 0.02 . 2 . . . . . . . . 6364 1 759 . 1 1 62 62 GLN NE2 N 15 112.3 0.5 . 1 . . . . . . . . 6364 1 760 . 1 1 62 62 GLN HE21 H 1 7.22 0.02 . 1 . . . . . . . . 6364 1 761 . 1 1 62 62 GLN HE22 H 1 7.83 0.02 . 1 . . . . . . . . 6364 1 762 . 1 1 63 63 VAL N N 15 117.2 0.5 . 1 . . . . . . . . 6364 1 763 . 1 1 63 63 VAL H H 1 6.91 0.02 . 1 . . . . . . . . 6364 1 764 . 1 1 63 63 VAL CA C 13 65.5 0.5 . 1 . . . . . . . . 6364 1 765 . 1 1 63 63 VAL HA H 1 2.19 0.02 . 1 . . . . . . . . 6364 1 766 . 1 1 63 63 VAL CB C 13 30.5 0.5 . 1 . . . . . . . . 6364 1 767 . 1 1 63 63 VAL HB H 1 1.97 0.02 . 1 . . . . . . . . 6364 1 768 . 1 1 63 63 VAL HG11 H 1 0.53 0.02 . 1 . . . . . . . . 6364 1 769 . 1 1 63 63 VAL HG12 H 1 0.53 0.02 . 1 . . . . . . . . 6364 1 770 . 1 1 63 63 VAL HG13 H 1 0.53 0.02 . 1 . . . . . . . . 6364 1 771 . 1 1 63 63 VAL HG21 H 1 0.49 0.02 . 1 . . . . . . . . 6364 1 772 . 1 1 63 63 VAL HG22 H 1 0.49 0.02 . 1 . . . . . . . . 6364 1 773 . 1 1 63 63 VAL HG23 H 1 0.49 0.02 . 1 . . . . . . . . 6364 1 774 . 1 1 63 63 VAL CG1 C 13 21.2 0.5 . 1 . . . . . . . . 6364 1 775 . 1 1 63 63 VAL CG2 C 13 22.6 0.5 . 1 . . . . . . . . 6364 1 776 . 1 1 64 64 LEU N N 15 114.1 0.5 . 1 . . . . . . . . 6364 1 777 . 1 1 64 64 LEU H H 1 7.25 0.02 . 1 . . . . . . . . 6364 1 778 . 1 1 64 64 LEU CA C 13 55.7 0.5 . 1 . . . . . . . . 6364 1 779 . 1 1 64 64 LEU HA H 1 3.99 0.02 . 1 . . . . . . . . 6364 1 780 . 1 1 64 64 LEU CB C 13 42.3 0.5 . 1 . . . . . . . . 6364 1 781 . 1 1 64 64 LEU HB2 H 1 1.36 0.02 . 2 . . . . . . . . 6364 1 782 . 1 1 64 64 LEU HB3 H 1 1.81 0.02 . 2 . . . . . . . . 6364 1 783 . 1 1 64 64 LEU CG C 13 26.7 0.5 . 1 . . . . . . . . 6364 1 784 . 1 1 64 64 LEU HG H 1 1.78 0.02 . 1 . . . . . . . . 6364 1 785 . 1 1 64 64 LEU HD11 H 1 0.55 0.02 . 2 . . . . . . . . 6364 1 786 . 1 1 64 64 LEU HD12 H 1 0.55 0.02 . 2 . . . . . . . . 6364 1 787 . 1 1 64 64 LEU HD13 H 1 0.55 0.02 . 2 . . . . . . . . 6364 1 788 . 1 1 64 64 LEU HD21 H 1 0.81 0.02 . 2 . . . . . . . . 6364 1 789 . 1 1 64 64 LEU HD22 H 1 0.81 0.02 . 2 . . . . . . . . 6364 1 790 . 1 1 64 64 LEU HD23 H 1 0.81 0.02 . 2 . . . . . . . . 6364 1 791 . 1 1 64 64 LEU CD1 C 13 26.3 0.5 . 2 . . . . . . . . 6364 1 792 . 1 1 64 64 LEU CD2 C 13 22.7 0.5 . 2 . . . . . . . . 6364 1 793 . 1 1 65 65 ARG N N 15 116.6 0.5 . 1 . . . . . . . . 6364 1 794 . 1 1 65 65 ARG H H 1 7.54 0.02 . 1 . . . . . . . . 6364 1 795 . 1 1 65 65 ARG CA C 13 57.2 0.5 . 1 . . . . . . . . 6364 1 796 . 1 1 65 65 ARG HA H 1 4.36 0.02 . 1 . . . . . . . . 6364 1 797 . 1 1 65 65 ARG CB C 13 31.0 0.5 . 1 . . . . . . . . 6364 1 798 . 1 1 65 65 ARG HB2 H 1 2.01 0.02 . 1 . . . . . . . . 6364 1 799 . 1 1 65 65 ARG HB3 H 1 2.01 0.02 . 1 . . . . . . . . 6364 1 800 . 1 1 65 65 ARG CG C 13 27.3 0.5 . 1 . . . . . . . . 6364 1 801 . 1 1 65 65 ARG HG2 H 1 1.73 0.02 . 2 . . . . . . . . 6364 1 802 . 1 1 65 65 ARG HG3 H 1 1.91 0.02 . 2 . . . . . . . . 6364 1 803 . 1 1 65 65 ARG CD C 13 43.2 0.5 . 1 . . . . . . . . 6364 1 804 . 1 1 65 65 ARG HD2 H 1 3.14 0.02 . 1 . . . . . . . . 6364 1 805 . 1 1 65 65 ARG HD3 H 1 3.14 0.02 . 1 . . . . . . . . 6364 1 806 . 1 1 66 66 GLU N N 15 116.4 0.5 . 1 . . . . . . . . 6364 1 807 . 1 1 66 66 GLU H H 1 7.35 0.02 . 1 . . . . . . . . 6364 1 808 . 1 1 66 66 GLU CA C 13 57.6 0.5 . 1 . . . . . . . . 6364 1 809 . 1 1 66 66 GLU HA H 1 4.47 0.02 . 1 . . . . . . . . 6364 1 810 . 1 1 66 66 GLU CB C 13 32.3 0.5 . 1 . . . . . . . . 6364 1 811 . 1 1 66 66 GLU HB2 H 1 1.85 0.02 . 1 . . . . . . . . 6364 1 812 . 1 1 66 66 GLU HB3 H 1 2.30 0.02 . 1 . . . . . . . . 6364 1 813 . 1 1 66 66 GLU CG C 13 36.5 0.5 . 1 . . . . . . . . 6364 1 814 . 1 1 66 66 GLU HG2 H 1 2.28 0.02 . 2 . . . . . . . . 6364 1 815 . 1 1 66 66 GLU HG3 H 1 2.43 0.02 . 2 . . . . . . . . 6364 1 816 . 1 1 67 67 GLU N N 15 119.2 0.5 . 1 . . . . . . . . 6364 1 817 . 1 1 67 67 GLU H H 1 8.21 0.02 . 1 . . . . . . . . 6364 1 818 . 1 1 67 67 GLU CA C 13 53.0 0.5 . 1 . . . . . . . . 6364 1 819 . 1 1 67 67 GLU HA H 1 4.77 0.02 . 1 . . . . . . . . 6364 1 820 . 1 1 67 67 GLU CB C 13 29.0 0.5 . 1 . . . . . . . . 6364 1 821 . 1 1 67 67 GLU HB2 H 1 1.52 0.02 . 2 . . . . . . . . 6364 1 822 . 1 1 67 67 GLU HB3 H 1 1.75 0.02 . 2 . . . . . . . . 6364 1 823 . 1 1 67 67 GLU CG C 13 36.2 0.5 . 1 . . . . . . . . 6364 1 824 . 1 1 67 67 GLU HG2 H 1 1.53 0.02 . 2 . . . . . . . . 6364 1 825 . 1 1 67 67 GLU HG3 H 1 1.77 0.02 . 2 . . . . . . . . 6364 1 826 . 1 1 68 68 PRO CD C 13 49.6 0.5 . 1 . . . . . . . . 6364 1 827 . 1 1 68 68 PRO CA C 13 61.8 0.5 . 1 . . . . . . . . 6364 1 828 . 1 1 68 68 PRO HA H 1 4.44 0.02 . 1 . . . . . . . . 6364 1 829 . 1 1 68 68 PRO CB C 13 31.0 0.5 . 1 . . . . . . . . 6364 1 830 . 1 1 68 68 PRO HB2 H 1 2.14 0.02 . 2 . . . . . . . . 6364 1 831 . 1 1 68 68 PRO HB3 H 1 2.06 0.02 . 2 . . . . . . . . 6364 1 832 . 1 1 68 68 PRO CG C 13 28.0 0.5 . 1 . . . . . . . . 6364 1 833 . 1 1 68 68 PRO HG2 H 1 2.05 0.02 . 2 . . . . . . . . 6364 1 834 . 1 1 68 68 PRO HG3 H 1 2.12 0.02 . 2 . . . . . . . . 6364 1 835 . 1 1 68 68 PRO HD2 H 1 3.61 0.02 . 2 . . . . . . . . 6364 1 836 . 1 1 68 68 PRO HD3 H 1 3.79 0.02 . 2 . . . . . . . . 6364 1 837 . 1 1 69 69 ILE N N 15 127.0 0.5 . 1 . . . . . . . . 6364 1 838 . 1 1 69 69 ILE H H 1 8.50 0.02 . 1 . . . . . . . . 6364 1 839 . 1 1 69 69 ILE CA C 13 65.1 0.5 . 1 . . . . . . . . 6364 1 840 . 1 1 69 69 ILE HA H 1 3.47 0.02 . 1 . . . . . . . . 6364 1 841 . 1 1 69 69 ILE CB C 13 37.7 0.5 . 1 . . . . . . . . 6364 1 842 . 1 1 69 69 ILE HB H 1 1.97 0.02 . 1 . . . . . . . . 6364 1 843 . 1 1 69 69 ILE HG21 H 1 1.03 0.02 . 1 . . . . . . . . 6364 1 844 . 1 1 69 69 ILE HG22 H 1 1.03 0.02 . 1 . . . . . . . . 6364 1 845 . 1 1 69 69 ILE HG23 H 1 1.03 0.02 . 1 . . . . . . . . 6364 1 846 . 1 1 69 69 ILE CG2 C 13 17.4 0.5 . 1 . . . . . . . . 6364 1 847 . 1 1 69 69 ILE CG1 C 13 30.3 0.5 . 1 . . . . . . . . 6364 1 848 . 1 1 69 69 ILE HG12 H 1 1.15 0.02 . 1 . . . . . . . . 6364 1 849 . 1 1 69 69 ILE HG13 H 1 1.97 0.02 . 1 . . . . . . . . 6364 1 850 . 1 1 69 69 ILE HD11 H 1 1.06 0.02 . 1 . . . . . . . . 6364 1 851 . 1 1 69 69 ILE HD12 H 1 1.06 0.02 . 1 . . . . . . . . 6364 1 852 . 1 1 69 69 ILE HD13 H 1 1.06 0.02 . 1 . . . . . . . . 6364 1 853 . 1 1 69 69 ILE CD1 C 13 13.5 0.5 . 1 . . . . . . . . 6364 1 854 . 1 1 70 70 ASP N N 15 117.2 0.5 . 1 . . . . . . . . 6364 1 855 . 1 1 70 70 ASP H H 1 8.80 0.02 . 1 . . . . . . . . 6364 1 856 . 1 1 70 70 ASP CA C 13 55.4 0.5 . 1 . . . . . . . . 6364 1 857 . 1 1 70 70 ASP HA H 1 4.30 0.02 . 1 . . . . . . . . 6364 1 858 . 1 1 70 70 ASP CB C 13 39.4 0.5 . 1 . . . . . . . . 6364 1 859 . 1 1 70 70 ASP HB2 H 1 2.72 0.02 . 2 . . . . . . . . 6364 1 860 . 1 1 70 70 ASP HB3 H 1 2.61 0.02 . 2 . . . . . . . . 6364 1 861 . 1 1 71 71 LYS N N 15 114.6 0.5 . 1 . . . . . . . . 6364 1 862 . 1 1 71 71 LYS H H 1 7.07 0.02 . 1 . . . . . . . . 6364 1 863 . 1 1 71 71 LYS CA C 13 55.8 0.5 . 1 . . . . . . . . 6364 1 864 . 1 1 71 71 LYS HA H 1 4.62 0.02 . 1 . . . . . . . . 6364 1 865 . 1 1 71 71 LYS CB C 13 33.0 0.5 . 1 . . . . . . . . 6364 1 866 . 1 1 71 71 LYS HB2 H 1 1.84 0.02 . 1 . . . . . . . . 6364 1 867 . 1 1 71 71 LYS HB3 H 1 1.68 0.02 . 1 . . . . . . . . 6364 1 868 . 1 1 71 71 LYS CG C 13 25.2 0.5 . 1 . . . . . . . . 6364 1 869 . 1 1 71 71 LYS HG2 H 1 1.44 0.02 . 2 . . . . . . . . 6364 1 870 . 1 1 71 71 LYS HG3 H 1 1.56 0.02 . 2 . . . . . . . . 6364 1 871 . 1 1 71 71 LYS CD C 13 29.3 0.5 . 1 . . . . . . . . 6364 1 872 . 1 1 71 71 LYS HD2 H 1 1.69 0.02 . 1 . . . . . . . . 6364 1 873 . 1 1 71 71 LYS HD3 H 1 1.69 0.02 . 1 . . . . . . . . 6364 1 874 . 1 1 71 71 LYS CE C 13 41.8 0.5 . 1 . . . . . . . . 6364 1 875 . 1 1 71 71 LYS HE2 H 1 2.94 0.02 . 1 . . . . . . . . 6364 1 876 . 1 1 71 71 LYS HE3 H 1 2.94 0.02 . 1 . . . . . . . . 6364 1 877 . 1 1 72 72 ILE N N 15 119.5 0.5 . 1 . . . . . . . . 6364 1 878 . 1 1 72 72 ILE H H 1 7.49 0.02 . 1 . . . . . . . . 6364 1 879 . 1 1 72 72 ILE CA C 13 62.8 0.5 . 1 . . . . . . . . 6364 1 880 . 1 1 72 72 ILE HA H 1 3.96 0.02 . 1 . . . . . . . . 6364 1 881 . 1 1 72 72 ILE CB C 13 40.0 0.5 . 1 . . . . . . . . 6364 1 882 . 1 1 72 72 ILE HB H 1 1.44 0.02 . 1 . . . . . . . . 6364 1 883 . 1 1 72 72 ILE HG21 H 1 -0.06 0.02 . 1 . . . . . . . . 6364 1 884 . 1 1 72 72 ILE HG22 H 1 -0.06 0.02 . 1 . . . . . . . . 6364 1 885 . 1 1 72 72 ILE HG23 H 1 -0.06 0.02 . 1 . . . . . . . . 6364 1 886 . 1 1 72 72 ILE CG2 C 13 16.8 0.5 . 1 . . . . . . . . 6364 1 887 . 1 1 72 72 ILE CG1 C 13 27.8 0.5 . 1 . . . . . . . . 6364 1 888 . 1 1 72 72 ILE HG12 H 1 0.26 0.02 . 1 . . . . . . . . 6364 1 889 . 1 1 72 72 ILE HG13 H 1 1.66 0.02 . 1 . . . . . . . . 6364 1 890 . 1 1 72 72 ILE HD11 H 1 0.50 0.02 . 1 . . . . . . . . 6364 1 891 . 1 1 72 72 ILE HD12 H 1 0.50 0.02 . 1 . . . . . . . . 6364 1 892 . 1 1 72 72 ILE HD13 H 1 0.50 0.02 . 1 . . . . . . . . 6364 1 893 . 1 1 72 72 ILE CD1 C 13 13.9 0.5 . 1 . . . . . . . . 6364 1 894 . 1 1 73 73 PHE N N 15 115.6 0.5 . 1 . . . . . . . . 6364 1 895 . 1 1 73 73 PHE H H 1 8.91 0.02 . 1 . . . . . . . . 6364 1 896 . 1 1 73 73 PHE CA C 13 52.7 0.5 . 1 . . . . . . . . 6364 1 897 . 1 1 73 73 PHE HA H 1 5.33 0.02 . 1 . . . . . . . . 6364 1 898 . 1 1 73 73 PHE CB C 13 41.0 0.5 . 1 . . . . . . . . 6364 1 899 . 1 1 73 73 PHE HB2 H 1 2.68 0.02 . 2 . . . . . . . . 6364 1 900 . 1 1 73 73 PHE HB3 H 1 3.13 0.02 . 2 . . . . . . . . 6364 1 901 . 1 1 73 73 PHE HD1 H 1 6.99 0.02 . 1 . . . . . . . . 6364 1 902 . 1 1 73 73 PHE HD2 H 1 6.99 0.02 . 1 . . . . . . . . 6364 1 903 . 1 1 73 73 PHE HE1 H 1 6.65 0.02 . 1 . . . . . . . . 6364 1 904 . 1 1 73 73 PHE HE2 H 1 6.65 0.02 . 1 . . . . . . . . 6364 1 905 . 1 1 73 73 PHE CD1 C 13 130.4 0.5 . 1 . . . . . . . . 6364 1 906 . 1 1 73 73 PHE CE1 C 13 131.0 0.5 . 1 . . . . . . . . 6364 1 907 . 1 1 73 73 PHE CE2 C 13 131.0 0.5 . 1 . . . . . . . . 6364 1 908 . 1 1 73 73 PHE CD2 C 13 130.4 0.5 . 1 . . . . . . . . 6364 1 909 . 1 1 74 74 PRO CD C 13 50.4 0.5 . 1 . . . . . . . . 6364 1 910 . 1 1 74 74 PRO CA C 13 64.1 0.5 . 1 . . . . . . . . 6364 1 911 . 1 1 74 74 PRO HA H 1 4.80 0.02 . 1 . . . . . . . . 6364 1 912 . 1 1 74 74 PRO CB C 13 32.1 0.5 . 1 . . . . . . . . 6364 1 913 . 1 1 74 74 PRO HB2 H 1 2.09 0.02 . 2 . . . . . . . . 6364 1 914 . 1 1 74 74 PRO HB3 H 1 2.50 0.02 . 2 . . . . . . . . 6364 1 915 . 1 1 74 74 PRO CG C 13 26.7 0.5 . 1 . . . . . . . . 6364 1 916 . 1 1 74 74 PRO HG2 H 1 1.90 0.02 . 2 . . . . . . . . 6364 1 917 . 1 1 74 74 PRO HG3 H 1 1.84 0.02 . 2 . . . . . . . . 6364 1 918 . 1 1 74 74 PRO HD2 H 1 3.39 0.02 . 2 . . . . . . . . 6364 1 919 . 1 1 74 74 PRO HD3 H 1 4.21 0.02 . 2 . . . . . . . . 6364 1 920 . 1 1 75 75 ASP N N 15 114.6 0.5 . 1 . . . . . . . . 6364 1 921 . 1 1 75 75 ASP H H 1 8.64 0.02 . 1 . . . . . . . . 6364 1 922 . 1 1 75 75 ASP CA C 13 53.9 0.5 . 1 . . . . . . . . 6364 1 923 . 1 1 75 75 ASP HA H 1 4.43 0.02 . 1 . . . . . . . . 6364 1 924 . 1 1 75 75 ASP CB C 13 38.0 0.5 . 1 . . . . . . . . 6364 1 925 . 1 1 75 75 ASP HB2 H 1 2.56 0.02 . 1 . . . . . . . . 6364 1 926 . 1 1 75 75 ASP HB3 H 1 2.81 0.02 . 1 . . . . . . . . 6364 1 927 . 1 1 76 76 LYS N N 15 116.2 0.5 . 1 . . . . . . . . 6364 1 928 . 1 1 76 76 LYS H H 1 8.67 0.02 . 1 . . . . . . . . 6364 1 929 . 1 1 76 76 LYS CA C 13 57.4 0.5 . 1 . . . . . . . . 6364 1 930 . 1 1 76 76 LYS HA H 1 3.76 0.02 . 1 . . . . . . . . 6364 1 931 . 1 1 76 76 LYS CB C 13 29.9 0.5 . 1 . . . . . . . . 6364 1 932 . 1 1 76 76 LYS HB2 H 1 1.89 0.02 . 1 . . . . . . . . 6364 1 933 . 1 1 76 76 LYS HB3 H 1 1.89 0.02 . 1 . . . . . . . . 6364 1 934 . 1 1 76 76 LYS CG C 13 25.0 0.5 . 1 . . . . . . . . 6364 1 935 . 1 1 76 76 LYS HG2 H 1 1.25 0.02 . 2 . . . . . . . . 6364 1 936 . 1 1 76 76 LYS HG3 H 1 1.42 0.02 . 2 . . . . . . . . 6364 1 937 . 1 1 76 76 LYS CD C 13 29.4 0.5 . 1 . . . . . . . . 6364 1 938 . 1 1 76 76 LYS HD2 H 1 1.70 0.02 . 2 . . . . . . . . 6364 1 939 . 1 1 76 76 LYS HD3 H 1 1.74 0.02 . 2 . . . . . . . . 6364 1 940 . 1 1 76 76 LYS CE C 13 42.0 0.5 . 1 . . . . . . . . 6364 1 941 . 1 1 76 76 LYS HE2 H 1 3.01 0.02 . 1 . . . . . . . . 6364 1 942 . 1 1 76 76 LYS HE3 H 1 3.01 0.02 . 1 . . . . . . . . 6364 1 943 . 1 1 77 77 PRO CD C 13 50.6 0.5 . 1 . . . . . . . . 6364 1 944 . 1 1 77 77 PRO CA C 13 62.6 0.5 . 1 . . . . . . . . 6364 1 945 . 1 1 77 77 PRO HA H 1 4.56 0.02 . 1 . . . . . . . . 6364 1 946 . 1 1 77 77 PRO CB C 13 31.1 0.5 . 1 . . . . . . . . 6364 1 947 . 1 1 77 77 PRO HB2 H 1 1.76 0.02 . 1 . . . . . . . . 6364 1 948 . 1 1 77 77 PRO HB3 H 1 1.88 0.02 . 1 . . . . . . . . 6364 1 949 . 1 1 77 77 PRO CG C 13 26.8 0.5 . 1 . . . . . . . . 6364 1 950 . 1 1 77 77 PRO HG2 H 1 1.33 0.02 . 1 . . . . . . . . 6364 1 951 . 1 1 77 77 PRO HG3 H 1 1.33 0.02 . 1 . . . . . . . . 6364 1 952 . 1 1 77 77 PRO HD2 H 1 3.53 0.02 . 2 . . . . . . . . 6364 1 953 . 1 1 77 77 PRO HD3 H 1 3.61 0.02 . 2 . . . . . . . . 6364 1 954 . 1 1 78 78 SER N N 15 113.5 0.5 . 1 . . . . . . . . 6364 1 955 . 1 1 78 78 SER H H 1 7.87 0.02 . 1 . . . . . . . . 6364 1 956 . 1 1 78 78 SER CA C 13 57.0 0.5 . 1 . . . . . . . . 6364 1 957 . 1 1 78 78 SER HA H 1 4.36 0.02 . 1 . . . . . . . . 6364 1 958 . 1 1 78 78 SER CB C 13 64.6 0.5 . 1 . . . . . . . . 6364 1 959 . 1 1 78 78 SER HB2 H 1 4.10 0.02 . 1 . . . . . . . . 6364 1 960 . 1 1 78 78 SER HB3 H 1 4.39 0.02 . 1 . . . . . . . . 6364 1 961 . 1 1 79 79 PHE N N 15 121.8 0.5 . 1 . . . . . . . . 6364 1 962 . 1 1 79 79 PHE H H 1 8.96 0.02 . 1 . . . . . . . . 6364 1 963 . 1 1 79 79 PHE CA C 13 62.3 0.5 . 1 . . . . . . . . 6364 1 964 . 1 1 79 79 PHE HA H 1 3.91 0.02 . 1 . . . . . . . . 6364 1 965 . 1 1 79 79 PHE CB C 13 39.2 0.5 . 1 . . . . . . . . 6364 1 966 . 1 1 79 79 PHE HB2 H 1 3.11 0.02 . 1 . . . . . . . . 6364 1 967 . 1 1 79 79 PHE HB3 H 1 3.24 0.02 . 1 . . . . . . . . 6364 1 968 . 1 1 79 79 PHE HD1 H 1 7.15 0.02 . 1 . . . . . . . . 6364 1 969 . 1 1 79 79 PHE HD2 H 1 7.15 0.02 . 1 . . . . . . . . 6364 1 970 . 1 1 79 79 PHE HE1 H 1 7.24 0.02 . 1 . . . . . . . . 6364 1 971 . 1 1 79 79 PHE HE2 H 1 7.24 0.02 . 1 . . . . . . . . 6364 1 972 . 1 1 79 79 PHE CD1 C 13 131.2 0.5 . 1 . . . . . . . . 6364 1 973 . 1 1 79 79 PHE CE1 C 13 130.8 0.5 . 1 . . . . . . . . 6364 1 974 . 1 1 79 79 PHE CZ C 13 128.5 0.5 . 1 . . . . . . . . 6364 1 975 . 1 1 79 79 PHE HZ H 1 7.22 0.02 . 1 . . . . . . . . 6364 1 976 . 1 1 79 79 PHE CE2 C 13 130.8 0.5 . 1 . . . . . . . . 6364 1 977 . 1 1 79 79 PHE CD2 C 13 131.2 0.5 . 1 . . . . . . . . 6364 1 978 . 1 1 80 80 GLU N N 15 115.6 0.5 . 1 . . . . . . . . 6364 1 979 . 1 1 80 80 GLU H H 1 8.89 0.02 . 1 . . . . . . . . 6364 1 980 . 1 1 80 80 GLU CA C 13 59.7 0.5 . 1 . . . . . . . . 6364 1 981 . 1 1 80 80 GLU HA H 1 3.83 0.02 . 1 . . . . . . . . 6364 1 982 . 1 1 80 80 GLU CB C 13 29.0 0.5 . 1 . . . . . . . . 6364 1 983 . 1 1 80 80 GLU HB2 H 1 1.98 0.02 . 1 . . . . . . . . 6364 1 984 . 1 1 80 80 GLU HB3 H 1 2.09 0.02 . 1 . . . . . . . . 6364 1 985 . 1 1 80 80 GLU CG C 13 36.7 0.5 . 1 . . . . . . . . 6364 1 986 . 1 1 80 80 GLU HG2 H 1 2.43 0.02 . 1 . . . . . . . . 6364 1 987 . 1 1 80 80 GLU HG3 H 1 2.43 0.02 . 1 . . . . . . . . 6364 1 988 . 1 1 81 81 LYS N N 15 120.4 0.5 . 1 . . . . . . . . 6364 1 989 . 1 1 81 81 LYS H H 1 7.68 0.02 . 1 . . . . . . . . 6364 1 990 . 1 1 81 81 LYS CA C 13 58.7 0.5 . 1 . . . . . . . . 6364 1 991 . 1 1 81 81 LYS HA H 1 3.89 0.02 . 1 . . . . . . . . 6364 1 992 . 1 1 81 81 LYS CB C 13 32.0 0.5 . 1 . . . . . . . . 6364 1 993 . 1 1 81 81 LYS HB2 H 1 1.69 0.02 . 1 . . . . . . . . 6364 1 994 . 1 1 81 81 LYS HB3 H 1 1.84 0.02 . 1 . . . . . . . . 6364 1 995 . 1 1 81 81 LYS CG C 13 25.5 0.5 . 1 . . . . . . . . 6364 1 996 . 1 1 81 81 LYS HG2 H 1 1.18 0.02 . 2 . . . . . . . . 6364 1 997 . 1 1 81 81 LYS HG3 H 1 1.42 0.02 . 2 . . . . . . . . 6364 1 998 . 1 1 81 81 LYS CD C 13 29.0 0.5 . 1 . . . . . . . . 6364 1 999 . 1 1 81 81 LYS HD2 H 1 1.64 0.02 . 2 . . . . . . . . 6364 1 1000 . 1 1 81 81 LYS HD3 H 1 1.67 0.02 . 2 . . . . . . . . 6364 1 1001 . 1 1 81 81 LYS CE C 13 41.9 0.5 . 1 . . . . . . . . 6364 1 1002 . 1 1 81 81 LYS HE2 H 1 2.98 0.02 . 1 . . . . . . . . 6364 1 1003 . 1 1 81 81 LYS HE3 H 1 2.98 0.02 . 1 . . . . . . . . 6364 1 1004 . 1 1 82 82 ALA N N 15 123.0 0.5 . 1 . . . . . . . . 6364 1 1005 . 1 1 82 82 ALA H H 1 8.84 0.02 . 1 . . . . . . . . 6364 1 1006 . 1 1 82 82 ALA CA C 13 54.7 0.5 . 1 . . . . . . . . 6364 1 1007 . 1 1 82 82 ALA HA H 1 3.27 0.02 . 1 . . . . . . . . 6364 1 1008 . 1 1 82 82 ALA HB1 H 1 1.33 0.02 . 1 . . . . . . . . 6364 1 1009 . 1 1 82 82 ALA HB2 H 1 1.33 0.02 . 1 . . . . . . . . 6364 1 1010 . 1 1 82 82 ALA HB3 H 1 1.33 0.02 . 1 . . . . . . . . 6364 1 1011 . 1 1 82 82 ALA CB C 13 18.6 0.5 . 1 . . . . . . . . 6364 1 1012 . 1 1 83 83 LEU N N 15 117.4 0.5 . 1 . . . . . . . . 6364 1 1013 . 1 1 83 83 LEU H H 1 8.07 0.02 . 1 . . . . . . . . 6364 1 1014 . 1 1 83 83 LEU CA C 13 57.7 0.5 . 1 . . . . . . . . 6364 1 1015 . 1 1 83 83 LEU HA H 1 3.65 0.02 . 1 . . . . . . . . 6364 1 1016 . 1 1 83 83 LEU CB C 13 41.3 0.5 . 1 . . . . . . . . 6364 1 1017 . 1 1 83 83 LEU HB2 H 1 1.05 0.02 . 2 . . . . . . . . 6364 1 1018 . 1 1 83 83 LEU HB3 H 1 1.56 0.02 . 2 . . . . . . . . 6364 1 1019 . 1 1 83 83 LEU CG C 13 25.4 0.5 . 1 . . . . . . . . 6364 1 1020 . 1 1 83 83 LEU HG H 1 0.86 0.02 . 1 . . . . . . . . 6364 1 1021 . 1 1 83 83 LEU HD11 H 1 0.55 0.02 . 2 . . . . . . . . 6364 1 1022 . 1 1 83 83 LEU HD12 H 1 0.55 0.02 . 2 . . . . . . . . 6364 1 1023 . 1 1 83 83 LEU HD13 H 1 0.55 0.02 . 2 . . . . . . . . 6364 1 1024 . 1 1 83 83 LEU HD21 H 1 0.71 0.02 . 2 . . . . . . . . 6364 1 1025 . 1 1 83 83 LEU HD22 H 1 0.71 0.02 . 2 . . . . . . . . 6364 1 1026 . 1 1 83 83 LEU HD23 H 1 0.71 0.02 . 2 . . . . . . . . 6364 1 1027 . 1 1 83 83 LEU CD1 C 13 25.0 0.5 . 2 . . . . . . . . 6364 1 1028 . 1 1 83 83 LEU CD2 C 13 24.3 0.5 . 2 . . . . . . . . 6364 1 1029 . 1 1 84 84 LYS N N 15 117.7 0.5 . 1 . . . . . . . . 6364 1 1030 . 1 1 84 84 LYS H H 1 7.45 0.02 . 1 . . . . . . . . 6364 1 1031 . 1 1 84 84 LYS CA C 13 58.9 0.5 . 1 . . . . . . . . 6364 1 1032 . 1 1 84 84 LYS HA H 1 3.90 0.02 . 1 . . . . . . . . 6364 1 1033 . 1 1 84 84 LYS CB C 13 31.9 0.5 . 1 . . . . . . . . 6364 1 1034 . 1 1 84 84 LYS HB2 H 1 1.83 0.02 . 1 . . . . . . . . 6364 1 1035 . 1 1 84 84 LYS HB3 H 1 1.83 0.02 . 1 . . . . . . . . 6364 1 1036 . 1 1 84 84 LYS CG C 13 25.0 0.5 . 1 . . . . . . . . 6364 1 1037 . 1 1 84 84 LYS HG2 H 1 1.44 0.02 . 2 . . . . . . . . 6364 1 1038 . 1 1 84 84 LYS HG3 H 1 1.55 0.02 . 2 . . . . . . . . 6364 1 1039 . 1 1 84 84 LYS CD C 13 28.9 0.5 . 1 . . . . . . . . 6364 1 1040 . 1 1 84 84 LYS HD2 H 1 1.66 0.02 . 1 . . . . . . . . 6364 1 1041 . 1 1 84 84 LYS HD3 H 1 1.66 0.02 . 1 . . . . . . . . 6364 1 1042 . 1 1 84 84 LYS CE C 13 41.8 0.5 . 1 . . . . . . . . 6364 1 1043 . 1 1 84 84 LYS HE2 H 1 2.99 0.02 . 1 . . . . . . . . 6364 1 1044 . 1 1 84 84 LYS HE3 H 1 2.99 0.02 . 1 . . . . . . . . 6364 1 1045 . 1 1 85 85 ARG N N 15 118.1 0.5 . 1 . . . . . . . . 6364 1 1046 . 1 1 85 85 ARG H H 1 7.60 0.02 . 1 . . . . . . . . 6364 1 1047 . 1 1 85 85 ARG CA C 13 59.6 0.5 . 1 . . . . . . . . 6364 1 1048 . 1 1 85 85 ARG HA H 1 3.87 0.02 . 1 . . . . . . . . 6364 1 1049 . 1 1 85 85 ARG CB C 13 29.5 0.5 . 1 . . . . . . . . 6364 1 1050 . 1 1 85 85 ARG HB2 H 1 1.34 0.02 . 1 . . . . . . . . 6364 1 1051 . 1 1 85 85 ARG HB3 H 1 1.34 0.02 . 1 . . . . . . . . 6364 1 1052 . 1 1 85 85 ARG CG C 13 27.0 0.5 . 1 . . . . . . . . 6364 1 1053 . 1 1 85 85 ARG HG2 H 1 1.67 0.02 . 1 . . . . . . . . 6364 1 1054 . 1 1 85 85 ARG HG3 H 1 1.67 0.02 . 1 . . . . . . . . 6364 1 1055 . 1 1 85 85 ARG CD C 13 43.1 0.5 . 1 . . . . . . . . 6364 1 1056 . 1 1 85 85 ARG HD2 H 1 3.23 0.02 . 1 . . . . . . . . 6364 1 1057 . 1 1 85 85 ARG HD3 H 1 3.23 0.02 . 1 . . . . . . . . 6364 1 1058 . 1 1 86 86 PHE N N 15 117.3 0.5 . 1 . . . . . . . . 6364 1 1059 . 1 1 86 86 PHE H H 1 7.38 0.02 . 1 . . . . . . . . 6364 1 1060 . 1 1 86 86 PHE CA C 13 55.0 0.5 . 1 . . . . . . . . 6364 1 1061 . 1 1 86 86 PHE HA H 1 4.33 0.02 . 1 . . . . . . . . 6364 1 1062 . 1 1 86 86 PHE CB C 13 39.0 0.5 . 1 . . . . . . . . 6364 1 1063 . 1 1 86 86 PHE HB2 H 1 2.26 0.02 . 1 . . . . . . . . 6364 1 1064 . 1 1 86 86 PHE HB3 H 1 2.26 0.02 . 1 . . . . . . . . 6364 1 1065 . 1 1 86 86 PHE HD1 H 1 7.18 0.02 . 1 . . . . . . . . 6364 1 1066 . 1 1 86 86 PHE HD2 H 1 7.18 0.02 . 1 . . . . . . . . 6364 1 1067 . 1 1 86 86 PHE HE1 H 1 7.14 0.02 . 1 . . . . . . . . 6364 1 1068 . 1 1 86 86 PHE HE2 H 1 7.14 0.02 . 1 . . . . . . . . 6364 1 1069 . 1 1 86 86 PHE CD1 C 13 129.6 0.5 . 1 . . . . . . . . 6364 1 1070 . 1 1 86 86 PHE CE1 C 13 129.3 0.5 . 1 . . . . . . . . 6364 1 1071 . 1 1 86 86 PHE CZ C 13 128.0 0.5 . 1 . . . . . . . . 6364 1 1072 . 1 1 86 86 PHE HZ H 1 6.76 0.02 . 1 . . . . . . . . 6364 1 1073 . 1 1 86 86 PHE CE2 C 13 129.3 0.5 . 1 . . . . . . . . 6364 1 1074 . 1 1 86 86 PHE CD2 C 13 129.6 0.5 . 1 . . . . . . . . 6364 1 1075 . 1 1 87 87 HIS CB C 13 29.9 0.5 . 1 . . . . . . . . 6364 1 1076 . 1 1 87 87 HIS HB2 H 1 3.06 0.02 . 1 . . . . . . . . 6364 1 1077 . 1 1 87 87 HIS HB3 H 1 3.22 0.02 . 1 . . . . . . . . 6364 1 1078 . 1 1 87 87 HIS CD2 C 13 120.3 0.5 . 1 . . . . . . . . 6364 1 1079 . 1 1 87 87 HIS CE1 C 13 136.3 0.5 . 1 . . . . . . . . 6364 1 1080 . 1 1 87 87 HIS HD2 H 1 7.09 0.02 . 1 . . . . . . . . 6364 1 1081 . 1 1 87 87 HIS HE1 H 1 8.21 0.02 . 1 . . . . . . . . 6364 1 1082 . 1 1 88 88 ASN N N 15 116.3 0.5 . 1 . . . . . . . . 6364 1 1083 . 1 1 88 88 ASN H H 1 8.27 0.02 . 1 . . . . . . . . 6364 1 1084 . 1 1 88 88 ASN CA C 13 54.6 0.5 . 1 . . . . . . . . 6364 1 1085 . 1 1 88 88 ASN HA H 1 4.58 0.02 . 1 . . . . . . . . 6364 1 1086 . 1 1 88 88 ASN CB C 13 38.4 0.5 . 1 . . . . . . . . 6364 1 1087 . 1 1 88 88 ASN HB2 H 1 2.77 0.02 . 1 . . . . . . . . 6364 1 1088 . 1 1 88 88 ASN HB3 H 1 2.87 0.02 . 1 . . . . . . . . 6364 1 1089 . 1 1 88 88 ASN ND2 N 15 111.5 0.5 . 1 . . . . . . . . 6364 1 1090 . 1 1 88 88 ASN HD21 H 1 6.85 0.02 . 1 . . . . . . . . 6364 1 1091 . 1 1 88 88 ASN HD22 H 1 7.52 0.02 . 1 . . . . . . . . 6364 1 1092 . 1 1 89 89 MET CG C 13 36.0 0.5 . 1 . . . . . . . . 6364 1 1093 . 1 1 89 89 MET HG2 H 1 2.04 0.02 . 2 . . . . . . . . 6364 1 1094 . 1 1 89 89 MET HG3 H 1 2.26 0.02 . 2 . . . . . . . . 6364 1 1095 . 1 1 89 89 MET HE1 H 1 2.16 0.02 . 1 . . . . . . . . 6364 1 1096 . 1 1 89 89 MET HE2 H 1 2.16 0.02 . 1 . . . . . . . . 6364 1 1097 . 1 1 89 89 MET HE3 H 1 2.16 0.02 . 1 . . . . . . . . 6364 1 1098 . 1 1 89 89 MET CE C 13 16.9 0.5 . 1 . . . . . . . . 6364 1 1099 . 1 1 90 90 TYR HD1 H 1 7.38 0.02 . 1 . . . . . . . . 6364 1 1100 . 1 1 90 90 TYR HD2 H 1 7.38 0.02 . 1 . . . . . . . . 6364 1 1101 . 1 1 90 90 TYR HE1 H 1 7.13 0.02 . 1 . . . . . . . . 6364 1 1102 . 1 1 90 90 TYR HE2 H 1 7.13 0.02 . 1 . . . . . . . . 6364 1 1103 . 1 1 90 90 TYR CD1 C 13 134.1 0.5 . 1 . . . . . . . . 6364 1 1104 . 1 1 90 90 TYR CE1 C 13 117.3 0.5 . 1 . . . . . . . . 6364 1 1105 . 1 1 90 90 TYR CE2 C 13 117.3 0.5 . 1 . . . . . . . . 6364 1 1106 . 1 1 90 90 TYR CD2 C 13 134.1 0.5 . 1 . . . . . . . . 6364 1 1107 . 1 1 93 93 TRP HB2 H 1 3.58 0.02 . 1 . . . . . . . . 6364 1 1108 . 1 1 93 93 TRP HB3 H 1 3.58 0.02 . 1 . . . . . . . . 6364 1 1109 . 1 1 93 93 TRP CD1 C 13 127.2 0.5 . 1 . . . . . . . . 6364 1 1110 . 1 1 93 93 TRP CE3 C 13 120.1 0.5 . 1 . . . . . . . . 6364 1 1111 . 1 1 93 93 TRP HD1 H 1 7.64 0.02 . 1 . . . . . . . . 6364 1 1112 . 1 1 93 93 TRP HE3 H 1 7.47 0.02 . 1 . . . . . . . . 6364 1 1113 . 1 1 93 93 TRP CZ3 C 13 121.5 0.5 . 1 . . . . . . . . 6364 1 1114 . 1 1 93 93 TRP CZ2 C 13 113.8 0.5 . 1 . . . . . . . . 6364 1 1115 . 1 1 93 93 TRP HZ3 H 1 7.12 0.02 . 1 . . . . . . . . 6364 1 1116 . 1 1 93 93 TRP CH2 C 13 123.8 0.5 . 1 . . . . . . . . 6364 1 1117 . 1 1 93 93 TRP HZ2 H 1 7.47 0.02 . 1 . . . . . . . . 6364 1 1118 . 1 1 93 93 TRP HH2 H 1 7.26 0.02 . 1 . . . . . . . . 6364 1 1119 . 1 1 96 96 TYR HA H 1 4.60 0.02 . 1 . . . . . . . . 6364 1 1120 . 1 1 96 96 TYR HB2 H 1 3.03 0.02 . 2 . . . . . . . . 6364 1 1121 . 1 1 96 96 TYR HB3 H 1 2.52 0.02 . 2 . . . . . . . . 6364 1 1122 . 1 1 96 96 TYR HD1 H 1 7.04 0.02 . 1 . . . . . . . . 6364 1 1123 . 1 1 96 96 TYR HD2 H 1 7.04 0.02 . 1 . . . . . . . . 6364 1 1124 . 1 1 96 96 TYR HE1 H 1 6.86 0.02 . 1 . . . . . . . . 6364 1 1125 . 1 1 96 96 TYR HE2 H 1 6.86 0.02 . 1 . . . . . . . . 6364 1 1126 . 1 1 96 96 TYR CD1 C 13 132.4 0.5 . 1 . . . . . . . . 6364 1 1127 . 1 1 96 96 TYR CE1 C 13 116.9 0.5 . 1 . . . . . . . . 6364 1 1128 . 1 1 96 96 TYR CE2 C 13 116.9 0.5 . 1 . . . . . . . . 6364 1 1129 . 1 1 96 96 TYR CD2 C 13 132.4 0.5 . 1 . . . . . . . . 6364 1 1130 . 1 1 98 98 TYR HA H 1 4.37 0.02 . 1 . . . . . . . . 6364 1 1131 . 1 1 98 98 TYR HB2 H 1 2.98 0.02 . 1 . . . . . . . . 6364 1 1132 . 1 1 98 98 TYR HB3 H 1 2.98 0.02 . 1 . . . . . . . . 6364 1 1133 . 1 1 98 98 TYR HD1 H 1 7.12 0.02 . 1 . . . . . . . . 6364 1 1134 . 1 1 98 98 TYR HD2 H 1 7.12 0.02 . 1 . . . . . . . . 6364 1 1135 . 1 1 98 98 TYR HE1 H 1 6.88 0.02 . 1 . . . . . . . . 6364 1 1136 . 1 1 98 98 TYR HE2 H 1 6.88 0.02 . 1 . . . . . . . . 6364 1 1137 . 1 1 98 98 TYR CD1 C 13 131.7 0.5 . 1 . . . . . . . . 6364 1 1138 . 1 1 98 98 TYR CE1 C 13 117.9 0.5 . 1 . . . . . . . . 6364 1 1139 . 1 1 98 98 TYR CE2 C 13 117.9 0.5 . 1 . . . . . . . . 6364 1 1140 . 1 1 98 98 TYR CD2 C 13 131.7 0.5 . 1 . . . . . . . . 6364 1 1141 . 1 1 100 100 VAL CA C 13 61.2 0.5 . 1 . . . . . . . . 6364 1 1142 . 1 1 100 100 VAL HA H 1 3.74 0.02 . 1 . . . . . . . . 6364 1 1143 . 1 1 100 100 VAL CB C 13 34.8 0.5 . 1 . . . . . . . . 6364 1 1144 . 1 1 100 100 VAL HB H 1 1.10 0.02 . 1 . . . . . . . . 6364 1 1145 . 1 1 100 100 VAL HG11 H 1 -0.29 0.02 . 1 . . . . . . . . 6364 1 1146 . 1 1 100 100 VAL HG12 H 1 -0.29 0.02 . 1 . . . . . . . . 6364 1 1147 . 1 1 100 100 VAL HG13 H 1 -0.29 0.02 . 1 . . . . . . . . 6364 1 1148 . 1 1 100 100 VAL HG21 H 1 -0.06 0.02 . 1 . . . . . . . . 6364 1 1149 . 1 1 100 100 VAL HG22 H 1 -0.06 0.02 . 1 . . . . . . . . 6364 1 1150 . 1 1 100 100 VAL HG23 H 1 -0.06 0.02 . 1 . . . . . . . . 6364 1 1151 . 1 1 100 100 VAL CG1 C 13 20.1 0.5 . 1 . . . . . . . . 6364 1 1152 . 1 1 100 100 VAL CG2 C 13 22.8 0.5 . 1 . . . . . . . . 6364 1 1153 . 1 1 101 101 LEU CA C 13 52.7 0.5 . 1 . . . . . . . . 6364 1 1154 . 1 1 101 101 LEU HA H 1 5.01 0.02 . 1 . . . . . . . . 6364 1 1155 . 1 1 101 101 LEU CB C 13 45.2 0.5 . 1 . . . . . . . . 6364 1 1156 . 1 1 101 101 LEU HB2 H 1 1.00 0.02 . 1 . . . . . . . . 6364 1 1157 . 1 1 101 101 LEU HB3 H 1 1.45 0.02 . 1 . . . . . . . . 6364 1 1158 . 1 1 101 101 LEU CG C 13 27.0 0.5 . 1 . . . . . . . . 6364 1 1159 . 1 1 101 101 LEU HG H 1 1.27 0.02 . 1 . . . . . . . . 6364 1 1160 . 1 1 101 101 LEU HD11 H 1 0.62 0.02 . 2 . . . . . . . . 6364 1 1161 . 1 1 101 101 LEU HD12 H 1 0.62 0.02 . 2 . . . . . . . . 6364 1 1162 . 1 1 101 101 LEU HD13 H 1 0.62 0.02 . 2 . . . . . . . . 6364 1 1163 . 1 1 101 101 LEU HD21 H 1 0.54 0.02 . 2 . . . . . . . . 6364 1 1164 . 1 1 101 101 LEU HD22 H 1 0.54 0.02 . 2 . . . . . . . . 6364 1 1165 . 1 1 101 101 LEU HD23 H 1 0.54 0.02 . 2 . . . . . . . . 6364 1 1166 . 1 1 101 101 LEU CD1 C 13 22.7 0.5 . 2 . . . . . . . . 6364 1 1167 . 1 1 101 101 LEU CD2 C 13 26.1 0.5 . 2 . . . . . . . . 6364 1 1168 . 1 1 102 102 ALA N N 15 123.4 0.5 . 1 . . . . . . . . 6364 1 1169 . 1 1 102 102 ALA H H 1 9.16 0.02 . 1 . . . . . . . . 6364 1 1170 . 1 1 102 102 ALA CA C 13 50.8 0.5 . 1 . . . . . . . . 6364 1 1171 . 1 1 102 102 ALA HA H 1 4.75 0.02 . 1 . . . . . . . . 6364 1 1172 . 1 1 102 102 ALA HB1 H 1 1.26 0.02 . 1 . . . . . . . . 6364 1 1173 . 1 1 102 102 ALA HB2 H 1 1.26 0.02 . 1 . . . . . . . . 6364 1 1174 . 1 1 102 102 ALA HB3 H 1 1.26 0.02 . 1 . . . . . . . . 6364 1 1175 . 1 1 102 102 ALA CB C 13 19.9 0.5 . 1 . . . . . . . . 6364 1 1176 . 1 1 103 103 ILE N N 15 125.0 0.5 . 1 . . . . . . . . 6364 1 1177 . 1 1 103 103 ILE H H 1 9.12 0.02 . 1 . . . . . . . . 6364 1 1178 . 1 1 103 103 ILE CA C 13 60.6 0.5 . 1 . . . . . . . . 6364 1 1179 . 1 1 103 103 ILE HA H 1 4.35 0.02 . 1 . . . . . . . . 6364 1 1180 . 1 1 103 103 ILE CB C 13 39.9 0.5 . 1 . . . . . . . . 6364 1 1181 . 1 1 103 103 ILE HB H 1 2.01 0.02 . 1 . . . . . . . . 6364 1 1182 . 1 1 103 103 ILE HG21 H 1 0.84 0.02 . 1 . . . . . . . . 6364 1 1183 . 1 1 103 103 ILE HG22 H 1 0.84 0.02 . 1 . . . . . . . . 6364 1 1184 . 1 1 103 103 ILE HG23 H 1 0.84 0.02 . 1 . . . . . . . . 6364 1 1185 . 1 1 103 103 ILE CG2 C 13 18.9 0.5 . 1 . . . . . . . . 6364 1 1186 . 1 1 103 103 ILE CG1 C 13 27.2 0.5 . 1 . . . . . . . . 6364 1 1187 . 1 1 103 103 ILE HG12 H 1 0.70 0.02 . 1 . . . . . . . . 6364 1 1188 . 1 1 103 103 ILE HG13 H 1 1.55 0.02 . 1 . . . . . . . . 6364 1 1189 . 1 1 103 103 ILE HD11 H 1 0.62 0.02 . 1 . . . . . . . . 6364 1 1190 . 1 1 103 103 ILE HD12 H 1 0.62 0.02 . 1 . . . . . . . . 6364 1 1191 . 1 1 103 103 ILE HD13 H 1 0.62 0.02 . 1 . . . . . . . . 6364 1 1192 . 1 1 103 103 ILE CD1 C 13 13.9 0.5 . 1 . . . . . . . . 6364 1 1193 . 1 1 104 104 LYS N N 15 129.2 0.5 . 1 . . . . . . . . 6364 1 1194 . 1 1 104 104 LYS H H 1 9.30 0.02 . 1 . . . . . . . . 6364 1 1195 . 1 1 104 104 LYS CA C 13 55.5 0.5 . 1 . . . . . . . . 6364 1 1196 . 1 1 104 104 LYS HA H 1 5.07 0.02 . 1 . . . . . . . . 6364 1 1197 . 1 1 104 104 LYS CB C 13 32.6 0.5 . 1 . . . . . . . . 6364 1 1198 . 1 1 104 104 LYS HB2 H 1 1.83 0.02 . 1 . . . . . . . . 6364 1 1199 . 1 1 104 104 LYS HB3 H 1 1.86 0.02 . 1 . . . . . . . . 6364 1 1200 . 1 1 104 104 LYS CG C 13 26.1 0.5 . 1 . . . . . . . . 6364 1 1201 . 1 1 104 104 LYS HG2 H 1 1.15 0.02 . 2 . . . . . . . . 6364 1 1202 . 1 1 104 104 LYS HG3 H 1 1.35 0.02 . 2 . . . . . . . . 6364 1 1203 . 1 1 104 104 LYS CD C 13 29.0 0.5 . 1 . . . . . . . . 6364 1 1204 . 1 1 104 104 LYS HD2 H 1 1.59 0.02 . 1 . . . . . . . . 6364 1 1205 . 1 1 104 104 LYS HD3 H 1 1.59 0.02 . 1 . . . . . . . . 6364 1 1206 . 1 1 104 104 LYS CE C 13 42.0 0.5 . 1 . . . . . . . . 6364 1 1207 . 1 1 104 104 LYS HE2 H 1 2.69 0.02 . 2 . . . . . . . . 6364 1 1208 . 1 1 104 104 LYS HE3 H 1 2.79 0.02 . 2 . . . . . . . . 6364 1 1209 . 1 1 105 105 PHE N N 15 121.7 0.5 . 1 . . . . . . . . 6364 1 1210 . 1 1 105 105 PHE H H 1 8.11 0.02 . 1 . . . . . . . . 6364 1 1211 . 1 1 105 105 PHE CA C 13 55.3 0.5 . 1 . . . . . . . . 6364 1 1212 . 1 1 105 105 PHE HA H 1 5.84 0.02 . 1 . . . . . . . . 6364 1 1213 . 1 1 105 105 PHE CB C 13 42.8 0.5 . 1 . . . . . . . . 6364 1 1214 . 1 1 105 105 PHE HB2 H 1 2.48 0.02 . 1 . . . . . . . . 6364 1 1215 . 1 1 105 105 PHE HB3 H 1 3.01 0.02 . 1 . . . . . . . . 6364 1 1216 . 1 1 105 105 PHE HD1 H 1 6.92 0.02 . 1 . . . . . . . . 6364 1 1217 . 1 1 105 105 PHE HD2 H 1 6.92 0.02 . 1 . . . . . . . . 6364 1 1218 . 1 1 105 105 PHE HE1 H 1 7.19 0.02 . 1 . . . . . . . . 6364 1 1219 . 1 1 105 105 PHE HE2 H 1 7.19 0.02 . 1 . . . . . . . . 6364 1 1220 . 1 1 105 105 PHE CD1 C 13 131.4 0.5 . 1 . . . . . . . . 6364 1 1221 . 1 1 105 105 PHE CE1 C 13 130.0 0.5 . 1 . . . . . . . . 6364 1 1222 . 1 1 105 105 PHE CZ C 13 129.4 0.5 . 1 . . . . . . . . 6364 1 1223 . 1 1 105 105 PHE HZ H 1 6.79 0.02 . 1 . . . . . . . . 6364 1 1224 . 1 1 105 105 PHE CE2 C 13 130.0 0.5 . 1 . . . . . . . . 6364 1 1225 . 1 1 105 105 PHE CD2 C 13 131.4 0.5 . 1 . . . . . . . . 6364 1 1226 . 1 1 106 106 ARG N N 15 118.7 0.5 . 1 . . . . . . . . 6364 1 1227 . 1 1 106 106 ARG H H 1 9.00 0.02 . 1 . . . . . . . . 6364 1 1228 . 1 1 106 106 ARG CA C 13 54.1 0.5 . 1 . . . . . . . . 6364 1 1229 . 1 1 106 106 ARG HA H 1 4.95 0.02 . 1 . . . . . . . . 6364 1 1230 . 1 1 106 106 ARG CB C 13 33.4 0.5 . 1 . . . . . . . . 6364 1 1231 . 1 1 106 106 ARG HB2 H 1 1.79 0.02 . 1 . . . . . . . . 6364 1 1232 . 1 1 106 106 ARG HB3 H 1 1.79 0.02 . 1 . . . . . . . . 6364 1 1233 . 1 1 106 106 ARG CG C 13 26.9 0.5 . 1 . . . . . . . . 6364 1 1234 . 1 1 106 106 ARG HG2 H 1 1.61 0.02 . 1 . . . . . . . . 6364 1 1235 . 1 1 106 106 ARG HG3 H 1 1.61 0.02 . 1 . . . . . . . . 6364 1 1236 . 1 1 106 106 ARG CD C 13 43.3 0.5 . 1 . . . . . . . . 6364 1 1237 . 1 1 106 106 ARG HD2 H 1 3.14 0.02 . 2 . . . . . . . . 6364 1 1238 . 1 1 106 106 ARG HD3 H 1 3.25 0.02 . 2 . . . . . . . . 6364 1 1239 . 1 1 107 107 VAL N N 15 127.0 0.5 . 1 . . . . . . . . 6364 1 1240 . 1 1 107 107 VAL H H 1 9.32 0.02 . 1 . . . . . . . . 6364 1 1241 . 1 1 107 107 VAL CA C 13 63.9 0.5 . 1 . . . . . . . . 6364 1 1242 . 1 1 107 107 VAL HA H 1 4.22 0.02 . 1 . . . . . . . . 6364 1 1243 . 1 1 107 107 VAL CB C 13 32.3 0.5 . 1 . . . . . . . . 6364 1 1244 . 1 1 107 107 VAL HB H 1 2.12 0.02 . 1 . . . . . . . . 6364 1 1245 . 1 1 107 107 VAL HG11 H 1 1.10 0.02 . 1 . . . . . . . . 6364 1 1246 . 1 1 107 107 VAL HG12 H 1 1.10 0.02 . 1 . . . . . . . . 6364 1 1247 . 1 1 107 107 VAL HG13 H 1 1.10 0.02 . 1 . . . . . . . . 6364 1 1248 . 1 1 107 107 VAL HG21 H 1 1.12 0.02 . 1 . . . . . . . . 6364 1 1249 . 1 1 107 107 VAL HG22 H 1 1.12 0.02 . 1 . . . . . . . . 6364 1 1250 . 1 1 107 107 VAL HG23 H 1 1.12 0.02 . 1 . . . . . . . . 6364 1 1251 . 1 1 107 107 VAL CG1 C 13 21.3 0.5 . 1 . . . . . . . . 6364 1 1252 . 1 1 107 107 VAL CG2 C 13 22.9 0.5 . 1 . . . . . . . . 6364 1 1253 . 1 1 108 108 LEU N N 15 128.0 0.5 . 1 . . . . . . . . 6364 1 1254 . 1 1 108 108 LEU H H 1 8.43 0.02 . 1 . . . . . . . . 6364 1 1255 . 1 1 108 108 LEU CA C 13 54.4 0.5 . 1 . . . . . . . . 6364 1 1256 . 1 1 108 108 LEU HA H 1 4.50 0.02 . 1 . . . . . . . . 6364 1 1257 . 1 1 108 108 LEU CB C 13 42.9 0.5 . 1 . . . . . . . . 6364 1 1258 . 1 1 108 108 LEU HB2 H 1 1.57 0.02 . 1 . . . . . . . . 6364 1 1259 . 1 1 108 108 LEU HB3 H 1 1.57 0.02 . 1 . . . . . . . . 6364 1 1260 . 1 1 108 108 LEU CG C 13 27.0 0.5 . 1 . . . . . . . . 6364 1 1261 . 1 1 108 108 LEU HG H 1 1.64 0.02 . 1 . . . . . . . . 6364 1 1262 . 1 1 108 108 LEU HD11 H 1 0.92 0.02 . 1 . . . . . . . . 6364 1 1263 . 1 1 108 108 LEU HD12 H 1 0.92 0.02 . 1 . . . . . . . . 6364 1 1264 . 1 1 108 108 LEU HD13 H 1 0.92 0.02 . 1 . . . . . . . . 6364 1 1265 . 1 1 108 108 LEU HD21 H 1 0.87 0.02 . 1 . . . . . . . . 6364 1 1266 . 1 1 108 108 LEU HD22 H 1 0.87 0.02 . 1 . . . . . . . . 6364 1 1267 . 1 1 108 108 LEU HD23 H 1 0.87 0.02 . 1 . . . . . . . . 6364 1 1268 . 1 1 108 108 LEU CD1 C 13 22.6 0.5 . 1 . . . . . . . . 6364 1 1269 . 1 1 108 108 LEU CD2 C 13 25.4 0.5 . 1 . . . . . . . . 6364 1 1270 . 1 1 109 109 GLY N N 15 108.4 0.5 . 1 . . . . . . . . 6364 1 1271 . 1 1 109 109 GLY H H 1 8.41 0.02 . 1 . . . . . . . . 6364 1 1272 . 1 1 109 109 GLY CA C 13 45.1 0.5 . 1 . . . . . . . . 6364 1 1273 . 1 1 109 109 GLY HA2 H 1 3.96 0.02 . 2 . . . . . . . . 6364 1 1274 . 1 1 109 109 GLY HA3 H 1 4.00 0.02 . 2 . . . . . . . . 6364 1 1275 . 1 1 110 110 ARG N N 15 119.8 0.5 . 1 . . . . . . . . 6364 1 1276 . 1 1 110 110 ARG H H 1 8.25 0.02 . 1 . . . . . . . . 6364 1 1277 . 1 1 110 110 ARG CA C 13 55.9 0.5 . 1 . . . . . . . . 6364 1 1278 . 1 1 110 110 ARG HA H 1 4.38 0.02 . 1 . . . . . . . . 6364 1 1279 . 1 1 110 110 ARG CB C 13 30.7 0.5 . 1 . . . . . . . . 6364 1 1280 . 1 1 110 110 ARG HB2 H 1 1.75 0.02 . 2 . . . . . . . . 6364 1 1281 . 1 1 110 110 ARG HB3 H 1 1.89 0.02 . 2 . . . . . . . . 6364 1 1282 . 1 1 110 110 ARG CG C 13 26.8 0.5 . 1 . . . . . . . . 6364 1 1283 . 1 1 110 110 ARG HG2 H 1 1.62 0.02 . 2 . . . . . . . . 6364 1 1284 . 1 1 110 110 ARG HG3 H 1 1.66 0.02 . 2 . . . . . . . . 6364 1 1285 . 1 1 110 110 ARG CD C 13 43.2 0.5 . 1 . . . . . . . . 6364 1 1286 . 1 1 110 110 ARG HD2 H 1 3.22 0.02 . 1 . . . . . . . . 6364 1 1287 . 1 1 110 110 ARG HD3 H 1 3.22 0.02 . 1 . . . . . . . . 6364 1 1288 . 1 1 111 111 ASP N N 15 120.9 0.5 . 1 . . . . . . . . 6364 1 1289 . 1 1 111 111 ASP H H 1 8.45 0.02 . 1 . . . . . . . . 6364 1 1290 . 1 1 111 111 ASP CA C 13 54.6 0.5 . 1 . . . . . . . . 6364 1 1291 . 1 1 111 111 ASP HA H 1 4.57 0.02 . 1 . . . . . . . . 6364 1 1292 . 1 1 111 111 ASP CB C 13 41.1 0.5 . 1 . . . . . . . . 6364 1 1293 . 1 1 111 111 ASP HB2 H 1 2.62 0.02 . 1 . . . . . . . . 6364 1 1294 . 1 1 111 111 ASP HB3 H 1 2.73 0.02 . 1 . . . . . . . . 6364 1 1295 . 1 1 112 112 LYS N N 15 121.4 0.5 . 1 . . . . . . . . 6364 1 1296 . 1 1 112 112 LYS H H 1 8.33 0.02 . 1 . . . . . . . . 6364 1 1297 . 1 1 112 112 LYS CA C 13 56.7 0.5 . 1 . . . . . . . . 6364 1 1298 . 1 1 112 112 LYS HA H 1 4.21 0.02 . 1 . . . . . . . . 6364 1 1299 . 1 1 112 112 LYS CB C 13 32.6 0.5 . 1 . . . . . . . . 6364 1 1300 . 1 1 112 112 LYS HB2 H 1 1.79 0.02 . 2 . . . . . . . . 6364 1 1301 . 1 1 112 112 LYS HB3 H 1 1.84 0.02 . 2 . . . . . . . . 6364 1 1302 . 1 1 112 112 LYS CG C 13 24.6 0.5 . 1 . . . . . . . . 6364 1 1303 . 1 1 112 112 LYS HG2 H 1 1.43 0.02 . 1 . . . . . . . . 6364 1 1304 . 1 1 112 112 LYS HG3 H 1 1.43 0.02 . 1 . . . . . . . . 6364 1 1305 . 1 1 112 112 LYS CD C 13 28.9 0.5 . 1 . . . . . . . . 6364 1 1306 . 1 1 112 112 LYS HD2 H 1 1.67 0.02 . 1 . . . . . . . . 6364 1 1307 . 1 1 112 112 LYS HD3 H 1 1.67 0.02 . 1 . . . . . . . . 6364 1 1308 . 1 1 112 112 LYS CE C 13 41.8 0.5 . 1 . . . . . . . . 6364 1 1309 . 1 1 112 112 LYS HE2 H 1 2.99 0.02 . 1 . . . . . . . . 6364 1 1310 . 1 1 112 112 LYS HE3 H 1 2.99 0.02 . 1 . . . . . . . . 6364 1 1311 . 1 1 113 113 GLU N N 15 120.8 0.5 . 1 . . . . . . . . 6364 1 1312 . 1 1 113 113 GLU H H 1 8.39 0.02 . 1 . . . . . . . . 6364 1 1313 . 1 1 113 113 GLU CA C 13 57.0 0.5 . 1 . . . . . . . . 6364 1 1314 . 1 1 113 113 GLU HA H 1 4.20 0.02 . 1 . . . . . . . . 6364 1 1315 . 1 1 113 113 GLU CB C 13 29.7 0.5 . 1 . . . . . . . . 6364 1 1316 . 1 1 113 113 GLU HB2 H 1 1.96 0.02 . 2 . . . . . . . . 6364 1 1317 . 1 1 113 113 GLU HB3 H 1 2.04 0.02 . 2 . . . . . . . . 6364 1 1318 . 1 1 113 113 GLU CG C 13 36.1 0.5 . 1 . . . . . . . . 6364 1 1319 . 1 1 113 113 GLU HG2 H 1 2.28 0.02 . 2 . . . . . . . . 6364 1 1320 . 1 1 113 113 GLU HG3 H 1 2.25 0.02 . 2 . . . . . . . . 6364 1 stop_ save_