data_6368 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6368 _Entry.Title ; 1H, 13C, and 15N Chemical Shift Assignments of Methanosarcina mazei Protein RPS24E: The Northeast Structural Genomics Consortium Target MaR11 ; _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 . . . 6368 2 Rong Xiao . B. . 6368 3 David Parish . . . 6368 4 LiChung Ma . . . 6368 5 Dinesh Sukumaran . . . 6368 6 Thomas Acton . . . 6368 7 Gaetano Montelione . T. . 6368 8 Thomas Szyperski . . . 6368 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6368 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 763 6368 '13C chemical shifts' 364 6368 '15N chemical shifts' 113 6368 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' 6368 2 . . 2005-10-31 . original author 'original release' 6368 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6368 _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 . . . 6368 1 2 Yang Shen . . . 6368 1 3 Hanudatta Atreya . S. . 6368 1 4 David Parish . . . 6368 1 5 Ying Shao . . . 6368 1 6 Dinesh Sukumaran . K. . 6368 1 7 Rong Xiao . . . 6368 1 8 Adelinda Yee . . . 6368 1 9 Alexander Lemak . . . 6368 1 10 Aneerban Bhattacharya . . . 6368 1 11 Thomas Acton . A. . 6368 1 12 Cheryl Arrowsmith . H. . 6368 1 13 Gaetano Montelione . T. . 6368 1 14 Thomas Szyperski . . . 6368 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_molecular_system_rps24e _Assembly.Sf_category assembly _Assembly.Sf_framecode molecular_system_rps24e _Assembly.Entry_ID 6368 _Assembly.ID 1 _Assembly.Name 'Hypothetical protein rps24e' _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 6368 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 'Hypothetical protein rps24e' 1 $Hypothetical_protein_rps24e . . . native . . . . . 6368 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Hypothetical protein rps24e' system 6368 1 'Hypothetical protein rps24e' abbreviation 6368 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Hypothetical_protein_rps24e _Entity.Sf_category entity _Entity.Sf_framecode Hypothetical_protein_rps24e _Entity.Entry_ID 6368 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Hypothetical protein rps24e' _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 ; MDIKIIKDKKNPLLNRRELD FIVKYEGSTPSRNDVRNKLA AMLNAPLELLVIQRIKTEYG MQESKGYAKLYEDADRMKQV EQEYVLKRNAVPGSETEGEE A ; _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 101 _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 1XN9 . "Solution Structure Of Methanosarcina Mazei Protein Rps24e: The Northeast Structural Genomics Consortium Target Mar11" . . . . . 100.00 101 100.00 100.00 3.61e-65 . . . . 6368 1 2 no GB AAM30295 . "SSU ribosomal protein S24E [Methanosarcina mazei Go1]" . . . . . 100.00 101 100.00 100.00 3.61e-65 . . . . 6368 1 3 no GB AGF96024 . "SSU ribosomal protein S24e [Methanosarcina mazei Tuc01]" . . . . . 100.00 101 99.01 99.01 3.85e-64 . . . . 6368 1 4 no REF NP_632623 . "30S ribosomal protein S24 [Methanosarcina mazei Go1]" . . . . . 100.00 101 100.00 100.00 3.61e-65 . . . . 6368 1 5 no REF WP_011032550 . "30S ribosomal protein S24 [Methanosarcina mazei]" . . . . . 100.00 101 100.00 100.00 3.61e-65 . . . . 6368 1 6 no REF WP_015411211 . "SSU ribosomal protein S24e [Methanosarcina mazei]" . . . . . 100.00 101 99.01 99.01 3.85e-64 . . . . 6368 1 7 no REF YP_007489296 . "SSU ribosomal protein S24e [Methanosarcina mazei Tuc01]" . . . . . 100.00 101 99.01 99.01 3.85e-64 . . . . 6368 1 8 no SP Q8PZ95 . "RecName: Full=30S ribosomal protein S24e [Methanosarcina mazei Go1]" . . . . . 100.00 101 100.00 100.00 3.61e-65 . . . . 6368 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Hypothetical protein rps24e' common 6368 1 'Hypothetical protein rps24e' abbreviation 6368 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 . 6368 1 2 . ASP . 6368 1 3 . ILE . 6368 1 4 . LYS . 6368 1 5 . ILE . 6368 1 6 . ILE . 6368 1 7 . LYS . 6368 1 8 . ASP . 6368 1 9 . LYS . 6368 1 10 . LYS . 6368 1 11 . ASN . 6368 1 12 . PRO . 6368 1 13 . LEU . 6368 1 14 . LEU . 6368 1 15 . ASN . 6368 1 16 . ARG . 6368 1 17 . ARG . 6368 1 18 . GLU . 6368 1 19 . LEU . 6368 1 20 . ASP . 6368 1 21 . PHE . 6368 1 22 . ILE . 6368 1 23 . VAL . 6368 1 24 . LYS . 6368 1 25 . TYR . 6368 1 26 . GLU . 6368 1 27 . GLY . 6368 1 28 . SER . 6368 1 29 . THR . 6368 1 30 . PRO . 6368 1 31 . SER . 6368 1 32 . ARG . 6368 1 33 . ASN . 6368 1 34 . ASP . 6368 1 35 . VAL . 6368 1 36 . ARG . 6368 1 37 . ASN . 6368 1 38 . LYS . 6368 1 39 . LEU . 6368 1 40 . ALA . 6368 1 41 . ALA . 6368 1 42 . MET . 6368 1 43 . LEU . 6368 1 44 . ASN . 6368 1 45 . ALA . 6368 1 46 . PRO . 6368 1 47 . LEU . 6368 1 48 . GLU . 6368 1 49 . LEU . 6368 1 50 . LEU . 6368 1 51 . VAL . 6368 1 52 . ILE . 6368 1 53 . GLN . 6368 1 54 . ARG . 6368 1 55 . ILE . 6368 1 56 . LYS . 6368 1 57 . THR . 6368 1 58 . GLU . 6368 1 59 . TYR . 6368 1 60 . GLY . 6368 1 61 . MET . 6368 1 62 . GLN . 6368 1 63 . GLU . 6368 1 64 . SER . 6368 1 65 . LYS . 6368 1 66 . GLY . 6368 1 67 . TYR . 6368 1 68 . ALA . 6368 1 69 . LYS . 6368 1 70 . LEU . 6368 1 71 . TYR . 6368 1 72 . GLU . 6368 1 73 . ASP . 6368 1 74 . ALA . 6368 1 75 . ASP . 6368 1 76 . ARG . 6368 1 77 . MET . 6368 1 78 . LYS . 6368 1 79 . GLN . 6368 1 80 . VAL . 6368 1 81 . GLU . 6368 1 82 . GLN . 6368 1 83 . GLU . 6368 1 84 . TYR . 6368 1 85 . VAL . 6368 1 86 . LEU . 6368 1 87 . LYS . 6368 1 88 . ARG . 6368 1 89 . ASN . 6368 1 90 . ALA . 6368 1 91 . VAL . 6368 1 92 . PRO . 6368 1 93 . GLY . 6368 1 94 . SER . 6368 1 95 . GLU . 6368 1 96 . THR . 6368 1 97 . GLU . 6368 1 98 . GLY . 6368 1 99 . GLU . 6368 1 100 . GLU . 6368 1 101 . ALA . 6368 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 6368 1 . ASP 2 2 6368 1 . ILE 3 3 6368 1 . LYS 4 4 6368 1 . ILE 5 5 6368 1 . ILE 6 6 6368 1 . LYS 7 7 6368 1 . ASP 8 8 6368 1 . LYS 9 9 6368 1 . LYS 10 10 6368 1 . ASN 11 11 6368 1 . PRO 12 12 6368 1 . LEU 13 13 6368 1 . LEU 14 14 6368 1 . ASN 15 15 6368 1 . ARG 16 16 6368 1 . ARG 17 17 6368 1 . GLU 18 18 6368 1 . LEU 19 19 6368 1 . ASP 20 20 6368 1 . PHE 21 21 6368 1 . ILE 22 22 6368 1 . VAL 23 23 6368 1 . LYS 24 24 6368 1 . TYR 25 25 6368 1 . GLU 26 26 6368 1 . GLY 27 27 6368 1 . SER 28 28 6368 1 . THR 29 29 6368 1 . PRO 30 30 6368 1 . SER 31 31 6368 1 . ARG 32 32 6368 1 . ASN 33 33 6368 1 . ASP 34 34 6368 1 . VAL 35 35 6368 1 . ARG 36 36 6368 1 . ASN 37 37 6368 1 . LYS 38 38 6368 1 . LEU 39 39 6368 1 . ALA 40 40 6368 1 . ALA 41 41 6368 1 . MET 42 42 6368 1 . LEU 43 43 6368 1 . ASN 44 44 6368 1 . ALA 45 45 6368 1 . PRO 46 46 6368 1 . LEU 47 47 6368 1 . GLU 48 48 6368 1 . LEU 49 49 6368 1 . LEU 50 50 6368 1 . VAL 51 51 6368 1 . ILE 52 52 6368 1 . GLN 53 53 6368 1 . ARG 54 54 6368 1 . ILE 55 55 6368 1 . LYS 56 56 6368 1 . THR 57 57 6368 1 . GLU 58 58 6368 1 . TYR 59 59 6368 1 . GLY 60 60 6368 1 . MET 61 61 6368 1 . GLN 62 62 6368 1 . GLU 63 63 6368 1 . SER 64 64 6368 1 . LYS 65 65 6368 1 . GLY 66 66 6368 1 . TYR 67 67 6368 1 . ALA 68 68 6368 1 . LYS 69 69 6368 1 . LEU 70 70 6368 1 . TYR 71 71 6368 1 . GLU 72 72 6368 1 . ASP 73 73 6368 1 . ALA 74 74 6368 1 . ASP 75 75 6368 1 . ARG 76 76 6368 1 . MET 77 77 6368 1 . LYS 78 78 6368 1 . GLN 79 79 6368 1 . VAL 80 80 6368 1 . GLU 81 81 6368 1 . GLN 82 82 6368 1 . GLU 83 83 6368 1 . TYR 84 84 6368 1 . VAL 85 85 6368 1 . LEU 86 86 6368 1 . LYS 87 87 6368 1 . ARG 88 88 6368 1 . ASN 89 89 6368 1 . ALA 90 90 6368 1 . VAL 91 91 6368 1 . PRO 92 92 6368 1 . GLY 93 93 6368 1 . SER 94 94 6368 1 . GLU 95 95 6368 1 . THR 96 96 6368 1 . GLU 97 97 6368 1 . GLY 98 98 6368 1 . GLU 99 99 6368 1 . GLU 100 100 6368 1 . ALA 101 101 6368 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 6368 _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 $Hypothetical_protein_rps24e . 2209 organism . 'Methanosarcina mazei' 'Methanosarcina mazei' . . Archaea 'Not applicable' Methanosarcina mazei . . . . . . . . . . . . . . . . . . . . . 6368 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 6368 _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 $Hypothetical_protein_rps24e . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6368 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6368 _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 'Hypothetical protein rps24e' '[U-13C; U-15N]' . . 1 $Hypothetical_protein_rps24e . . 1.0 . . mM . . . . 6368 1 2 MES . . . . . . . 20 . . mM . . . . 6368 1 3 NaCl . . . . . . . 100 . . mM . . . . 6368 1 4 DTT . . . . . . . 10 . . mM . . . . 6368 1 5 CaCl2 . . . . . . . 5 . . mM . . . . 6368 1 6 NaN3 . . . . . . . 0.02 . . % . . . . 6368 1 7 H2O . . . . . . . 95 . . % . . . . 6368 1 8 D2O . . . . . . . 5 . . % . . . . 6368 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 6368 _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 6368 1 pH 6.5 0.1 pH 6368 1 pressure 1 0.001 atm 6368 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer_1 _NMR_spectrometer.Entry_ID 6368 _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_750MHz_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 750MHz_spectrometer_2 _NMR_spectrometer.Entry_ID 6368 _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 6368 _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 600MHz_spectrometer_1 Varian INOVA . 600 . . . 6368 1 2 750MHz_spectrometer_2 Varian INOVA . 750 . . . 6368 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 6368 _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' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6368 1 2 'GFT (4,3)D CabCa(CO)NHN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6368 1 3 'GFT (4,3)D HabCab(CO)NHN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6368 1 4 'GFT (4,3)D HCCH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6368 1 5 'SIMULTANEOUS HETERONUCLEAR RESOLVED [1H,1H]-NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6368 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 6368 _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 6368 _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 6368 _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 6368 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name 'GFT (4,3)D 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 6368 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name 'SIMULTANEOUS HETERONUCLEAR RESOLVED [1H,1H]-NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # 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 6368 _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 . . . . . . . . . 6368 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6368 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6368 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 6368 _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_1 . 6368 1 2 'GFT (4,3)D CabCa(CO)NHN' 1 $sample_1 . 6368 1 3 'GFT (4,3)D HabCab(CO)NHN' 1 $sample_1 . 6368 1 4 'GFT (4,3)D HCCH' 1 $sample_1 . 6368 1 5 'SIMULTANEOUS HETERONUCLEAR RESOLVED [1H,1H]-NOESY' 1 $sample_1 . 6368 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 54.8 0.5 . 1 . . . . . . . . 6368 1 2 . 1 1 1 1 MET HA H 1 4.54 0.02 . 1 . . . . . . . . 6368 1 3 . 1 1 1 1 MET CB C 13 33.7 0.5 . 1 . . . . . . . . 6368 1 4 . 1 1 1 1 MET HB2 H 1 2.25 0.02 . 1 . . . . . . . . 6368 1 5 . 1 1 1 1 MET HB3 H 1 2.25 0.02 . 1 . . . . . . . . 6368 1 6 . 1 1 1 1 MET CG C 13 30.5 0.5 . 1 . . . . . . . . 6368 1 7 . 1 1 1 1 MET HG2 H 1 2.28 0.02 . 2 . . . . . . . . 6368 1 8 . 1 1 1 1 MET HG3 H 1 2.46 0.02 . 2 . . . . . . . . 6368 1 9 . 1 1 1 1 MET HE1 H 1 1.92 0.02 . 1 . . . . . . . . 6368 1 10 . 1 1 1 1 MET HE2 H 1 1.92 0.02 . 1 . . . . . . . . 6368 1 11 . 1 1 1 1 MET HE3 H 1 1.92 0.02 . 1 . . . . . . . . 6368 1 12 . 1 1 1 1 MET CE C 13 17.9 0.5 . 1 . . . . . . . . 6368 1 13 . 1 1 2 2 ASP N N 15 123.0 0.5 . 1 . . . . . . . . 6368 1 14 . 1 1 2 2 ASP H H 1 9.09 0.02 . 1 . . . . . . . . 6368 1 15 . 1 1 2 2 ASP CA C 13 53.2 0.5 . 1 . . . . . . . . 6368 1 16 . 1 1 2 2 ASP HA H 1 5.08 0.02 . 1 . . . . . . . . 6368 1 17 . 1 1 2 2 ASP CB C 13 44.4 0.5 . 1 . . . . . . . . 6368 1 18 . 1 1 2 2 ASP HB2 H 1 2.65 0.02 . 1 . . . . . . . . 6368 1 19 . 1 1 2 2 ASP HB3 H 1 2.53 0.02 . 1 . . . . . . . . 6368 1 20 . 1 1 3 3 ILE N N 15 122.9 0.5 . 1 . . . . . . . . 6368 1 21 . 1 1 3 3 ILE H H 1 8.66 0.02 . 1 . . . . . . . . 6368 1 22 . 1 1 3 3 ILE CA C 13 60.0 0.5 . 1 . . . . . . . . 6368 1 23 . 1 1 3 3 ILE HA H 1 5.13 0.02 . 1 . . . . . . . . 6368 1 24 . 1 1 3 3 ILE CB C 13 40.2 0.5 . 1 . . . . . . . . 6368 1 25 . 1 1 3 3 ILE HB H 1 1.65 0.02 . 1 . . . . . . . . 6368 1 26 . 1 1 3 3 ILE HG21 H 1 0.66 0.02 . 1 . . . . . . . . 6368 1 27 . 1 1 3 3 ILE HG22 H 1 0.66 0.02 . 1 . . . . . . . . 6368 1 28 . 1 1 3 3 ILE HG23 H 1 0.66 0.02 . 1 . . . . . . . . 6368 1 29 . 1 1 3 3 ILE CG2 C 13 17.6 0.5 . 1 . . . . . . . . 6368 1 30 . 1 1 3 3 ILE CG1 C 13 28.4 0.5 . 1 . . . . . . . . 6368 1 31 . 1 1 3 3 ILE HG12 H 1 1.01 0.02 . 1 . . . . . . . . 6368 1 32 . 1 1 3 3 ILE HG13 H 1 1.53 0.02 . 1 . . . . . . . . 6368 1 33 . 1 1 3 3 ILE HD11 H 1 0.68 0.02 . 1 . . . . . . . . 6368 1 34 . 1 1 3 3 ILE HD12 H 1 0.68 0.02 . 1 . . . . . . . . 6368 1 35 . 1 1 3 3 ILE HD13 H 1 0.68 0.02 . 1 . . . . . . . . 6368 1 36 . 1 1 3 3 ILE CD1 C 13 14.5 0.5 . 1 . . . . . . . . 6368 1 37 . 1 1 4 4 LYS N N 15 126.5 0.5 . 1 . . . . . . . . 6368 1 38 . 1 1 4 4 LYS H H 1 8.85 0.02 . 1 . . . . . . . . 6368 1 39 . 1 1 4 4 LYS CA C 13 53.8 0.5 . 1 . . . . . . . . 6368 1 40 . 1 1 4 4 LYS HA H 1 4.67 0.02 . 1 . . . . . . . . 6368 1 41 . 1 1 4 4 LYS CB C 13 34.8 0.5 . 1 . . . . . . . . 6368 1 42 . 1 1 4 4 LYS HB2 H 1 1.71 0.02 . 1 . . . . . . . . 6368 1 43 . 1 1 4 4 LYS HB3 H 1 1.71 0.02 . 1 . . . . . . . . 6368 1 44 . 1 1 4 4 LYS CG C 13 24.4 0.5 . 1 . . . . . . . . 6368 1 45 . 1 1 4 4 LYS HG2 H 1 1.25 0.02 . 2 . . . . . . . . 6368 1 46 . 1 1 4 4 LYS HG3 H 1 1.38 0.02 . 2 . . . . . . . . 6368 1 47 . 1 1 4 4 LYS CD C 13 28.9 0.5 . 1 . . . . . . . . 6368 1 48 . 1 1 4 4 LYS HD2 H 1 1.64 0.02 . 1 . . . . . . . . 6368 1 49 . 1 1 4 4 LYS HD3 H 1 1.64 0.02 . 1 . . . . . . . . 6368 1 50 . 1 1 4 4 LYS CE C 13 41.8 0.5 . 1 . . . . . . . . 6368 1 51 . 1 1 4 4 LYS HE2 H 1 2.94 0.02 . 1 . . . . . . . . 6368 1 52 . 1 1 4 4 LYS HE3 H 1 2.94 0.02 . 1 . . . . . . . . 6368 1 53 . 1 1 5 5 ILE N N 15 126.7 0.5 . 1 . . . . . . . . 6368 1 54 . 1 1 5 5 ILE H H 1 9.14 0.02 . 1 . . . . . . . . 6368 1 55 . 1 1 5 5 ILE CA C 13 61.6 0.5 . 1 . . . . . . . . 6368 1 56 . 1 1 5 5 ILE HA H 1 4.14 0.02 . 1 . . . . . . . . 6368 1 57 . 1 1 5 5 ILE CB C 13 36.9 0.5 . 1 . . . . . . . . 6368 1 58 . 1 1 5 5 ILE HB H 1 1.92 0.02 . 1 . . . . . . . . 6368 1 59 . 1 1 5 5 ILE HG21 H 1 0.92 0.02 . 1 . . . . . . . . 6368 1 60 . 1 1 5 5 ILE HG22 H 1 0.92 0.02 . 1 . . . . . . . . 6368 1 61 . 1 1 5 5 ILE HG23 H 1 0.92 0.02 . 1 . . . . . . . . 6368 1 62 . 1 1 5 5 ILE CG2 C 13 18.3 0.5 . 1 . . . . . . . . 6368 1 63 . 1 1 5 5 ILE CG1 C 13 27.9 0.5 . 1 . . . . . . . . 6368 1 64 . 1 1 5 5 ILE HG12 H 1 0.90 0.02 . 1 . . . . . . . . 6368 1 65 . 1 1 5 5 ILE HG13 H 1 1.52 0.02 . 1 . . . . . . . . 6368 1 66 . 1 1 5 5 ILE HD11 H 1 0.74 0.02 . 1 . . . . . . . . 6368 1 67 . 1 1 5 5 ILE HD12 H 1 0.74 0.02 . 1 . . . . . . . . 6368 1 68 . 1 1 5 5 ILE HD13 H 1 0.74 0.02 . 1 . . . . . . . . 6368 1 69 . 1 1 5 5 ILE CD1 C 13 12.4 0.5 . 1 . . . . . . . . 6368 1 70 . 1 1 6 6 ILE N N 15 125.7 0.5 . 1 . . . . . . . . 6368 1 71 . 1 1 6 6 ILE H H 1 8.82 0.02 . 1 . . . . . . . . 6368 1 72 . 1 1 6 6 ILE CA C 13 61.0 0.5 . 1 . . . . . . . . 6368 1 73 . 1 1 6 6 ILE HA H 1 4.35 0.02 . 1 . . . . . . . . 6368 1 74 . 1 1 6 6 ILE CB C 13 38.3 0.5 . 1 . . . . . . . . 6368 1 75 . 1 1 6 6 ILE HB H 1 1.90 0.02 . 1 . . . . . . . . 6368 1 76 . 1 1 6 6 ILE HG21 H 1 0.91 0.02 . 1 . . . . . . . . 6368 1 77 . 1 1 6 6 ILE HG22 H 1 0.91 0.02 . 1 . . . . . . . . 6368 1 78 . 1 1 6 6 ILE HG23 H 1 0.91 0.02 . 1 . . . . . . . . 6368 1 79 . 1 1 6 6 ILE CG2 C 13 17.6 0.5 . 1 . . . . . . . . 6368 1 80 . 1 1 6 6 ILE CG1 C 13 27.0 0.5 . 1 . . . . . . . . 6368 1 81 . 1 1 6 6 ILE HG12 H 1 1.04 0.02 . 1 . . . . . . . . 6368 1 82 . 1 1 6 6 ILE HG13 H 1 1.36 0.02 . 1 . . . . . . . . 6368 1 83 . 1 1 6 6 ILE HD11 H 1 0.78 0.02 . 1 . . . . . . . . 6368 1 84 . 1 1 6 6 ILE HD12 H 1 0.78 0.02 . 1 . . . . . . . . 6368 1 85 . 1 1 6 6 ILE HD13 H 1 0.78 0.02 . 1 . . . . . . . . 6368 1 86 . 1 1 6 6 ILE CD1 C 13 12.2 0.5 . 1 . . . . . . . . 6368 1 87 . 1 1 7 7 LYS N N 15 121.2 0.5 . 1 . . . . . . . . 6368 1 88 . 1 1 7 7 LYS H H 1 7.82 0.02 . 1 . . . . . . . . 6368 1 89 . 1 1 7 7 LYS CA C 13 56.7 0.5 . 1 . . . . . . . . 6368 1 90 . 1 1 7 7 LYS HA H 1 4.46 0.02 . 1 . . . . . . . . 6368 1 91 . 1 1 7 7 LYS CB C 13 36.1 0.5 . 1 . . . . . . . . 6368 1 92 . 1 1 7 7 LYS HB2 H 1 1.87 0.02 . 1 . . . . . . . . 6368 1 93 . 1 1 7 7 LYS HB3 H 1 1.94 0.02 . 1 . . . . . . . . 6368 1 94 . 1 1 7 7 LYS CG C 13 25.0 0.5 . 1 . . . . . . . . 6368 1 95 . 1 1 7 7 LYS HG2 H 1 1.46 0.02 . 1 . . . . . . . . 6368 1 96 . 1 1 7 7 LYS HG3 H 1 1.46 0.02 . 1 . . . . . . . . 6368 1 97 . 1 1 7 7 LYS CD C 13 29.1 0.5 . 1 . . . . . . . . 6368 1 98 . 1 1 7 7 LYS HD2 H 1 1.74 0.02 . 1 . . . . . . . . 6368 1 99 . 1 1 7 7 LYS HD3 H 1 1.74 0.02 . 1 . . . . . . . . 6368 1 100 . 1 1 7 7 LYS CE C 13 41.7 0.5 . 1 . . . . . . . . 6368 1 101 . 1 1 7 7 LYS HE2 H 1 2.96 0.02 . 1 . . . . . . . . 6368 1 102 . 1 1 7 7 LYS HE3 H 1 2.96 0.02 . 1 . . . . . . . . 6368 1 103 . 1 1 8 8 ASP N N 15 126.2 0.5 . 1 . . . . . . . . 6368 1 104 . 1 1 8 8 ASP H H 1 8.47 0.02 . 1 . . . . . . . . 6368 1 105 . 1 1 8 8 ASP CA C 13 52.7 0.5 . 1 . . . . . . . . 6368 1 106 . 1 1 8 8 ASP HA H 1 4.93 0.02 . 1 . . . . . . . . 6368 1 107 . 1 1 8 8 ASP CB C 13 41.6 0.5 . 1 . . . . . . . . 6368 1 108 . 1 1 8 8 ASP HB2 H 1 2.29 0.02 . 1 . . . . . . . . 6368 1 109 . 1 1 8 8 ASP HB3 H 1 2.77 0.02 . 1 . . . . . . . . 6368 1 110 . 1 1 9 9 LYS N N 15 124.6 0.5 . 1 . . . . . . . . 6368 1 111 . 1 1 9 9 LYS H H 1 8.68 0.02 . 1 . . . . . . . . 6368 1 112 . 1 1 9 9 LYS CA C 13 53.7 0.5 . 1 . . . . . . . . 6368 1 113 . 1 1 9 9 LYS HA H 1 4.76 0.02 . 1 . . . . . . . . 6368 1 114 . 1 1 9 9 LYS CB C 13 35.8 0.5 . 1 . . . . . . . . 6368 1 115 . 1 1 9 9 LYS HB2 H 1 1.72 0.02 . 1 . . . . . . . . 6368 1 116 . 1 1 9 9 LYS HB3 H 1 1.92 0.02 . 1 . . . . . . . . 6368 1 117 . 1 1 9 9 LYS CG C 13 24.4 0.5 . 1 . . . . . . . . 6368 1 118 . 1 1 9 9 LYS HG2 H 1 1.39 0.02 . 2 . . . . . . . . 6368 1 119 . 1 1 9 9 LYS HG3 H 1 1.43 0.02 . 2 . . . . . . . . 6368 1 120 . 1 1 9 9 LYS CD C 13 29.2 0.5 . 1 . . . . . . . . 6368 1 121 . 1 1 9 9 LYS HD2 H 1 1.74 0.02 . 1 . . . . . . . . 6368 1 122 . 1 1 9 9 LYS HD3 H 1 1.74 0.02 . 1 . . . . . . . . 6368 1 123 . 1 1 9 9 LYS CE C 13 41.7 0.5 . 1 . . . . . . . . 6368 1 124 . 1 1 9 9 LYS HE2 H 1 2.96 0.02 . 1 . . . . . . . . 6368 1 125 . 1 1 9 9 LYS HE3 H 1 2.96 0.02 . 1 . . . . . . . . 6368 1 126 . 1 1 10 10 LYS N N 15 126.1 0.5 . 1 . . . . . . . . 6368 1 127 . 1 1 10 10 LYS H H 1 8.91 0.02 . 1 . . . . . . . . 6368 1 128 . 1 1 10 10 LYS CA C 13 56.7 0.5 . 1 . . . . . . . . 6368 1 129 . 1 1 10 10 LYS HA H 1 4.31 0.02 . 1 . . . . . . . . 6368 1 130 . 1 1 10 10 LYS CB C 13 32.8 0.5 . 1 . . . . . . . . 6368 1 131 . 1 1 10 10 LYS HB2 H 1 1.75 0.02 . 2 . . . . . . . . 6368 1 132 . 1 1 10 10 LYS HB3 H 1 1.80 0.02 . 2 . . . . . . . . 6368 1 133 . 1 1 10 10 LYS CG C 13 25.5 0.5 . 1 . . . . . . . . 6368 1 134 . 1 1 10 10 LYS HG2 H 1 1.25 0.02 . 2 . . . . . . . . 6368 1 135 . 1 1 10 10 LYS HG3 H 1 1.38 0.02 . 2 . . . . . . . . 6368 1 136 . 1 1 10 10 LYS CD C 13 29.0 0.5 . 1 . . . . . . . . 6368 1 137 . 1 1 10 10 LYS HD2 H 1 1.61 0.02 . 1 . . . . . . . . 6368 1 138 . 1 1 10 10 LYS HD3 H 1 1.61 0.02 . 1 . . . . . . . . 6368 1 139 . 1 1 10 10 LYS CE C 13 41.7 0.5 . 1 . . . . . . . . 6368 1 140 . 1 1 10 10 LYS HE2 H 1 2.88 0.02 . 1 . . . . . . . . 6368 1 141 . 1 1 10 10 LYS HE3 H 1 2.88 0.02 . 1 . . . . . . . . 6368 1 142 . 1 1 11 11 ASN N N 15 123.7 0.5 . 1 . . . . . . . . 6368 1 143 . 1 1 11 11 ASN H H 1 9.08 0.02 . 1 . . . . . . . . 6368 1 144 . 1 1 11 11 ASN CA C 13 49.3 0.5 . 1 . . . . . . . . 6368 1 145 . 1 1 11 11 ASN HA H 1 5.21 0.02 . 1 . . . . . . . . 6368 1 146 . 1 1 11 11 ASN CB C 13 38.6 0.5 . 1 . . . . . . . . 6368 1 147 . 1 1 11 11 ASN HB2 H 1 2.42 0.02 . 1 . . . . . . . . 6368 1 148 . 1 1 11 11 ASN HB3 H 1 3.10 0.02 . 1 . . . . . . . . 6368 1 149 . 1 1 11 11 ASN ND2 N 15 114.4 0.5 . 1 . . . . . . . . 6368 1 150 . 1 1 11 11 ASN HD21 H 1 8.58 0.02 . 1 . . . . . . . . 6368 1 151 . 1 1 11 11 ASN HD22 H 1 7.10 0.02 . 1 . . . . . . . . 6368 1 152 . 1 1 12 12 PRO CD C 13 50.7 0.5 . 1 . . . . . . . . 6368 1 153 . 1 1 12 12 PRO CA C 13 63.7 0.5 . 1 . . . . . . . . 6368 1 154 . 1 1 12 12 PRO HA H 1 4.42 0.02 . 1 . . . . . . . . 6368 1 155 . 1 1 12 12 PRO CB C 13 32.1 0.5 . 1 . . . . . . . . 6368 1 156 . 1 1 12 12 PRO HB2 H 1 2.06 0.02 . 1 . . . . . . . . 6368 1 157 . 1 1 12 12 PRO HB3 H 1 2.36 0.02 . 1 . . . . . . . . 6368 1 158 . 1 1 12 12 PRO CG C 13 26.9 0.5 . 1 . . . . . . . . 6368 1 159 . 1 1 12 12 PRO HG2 H 1 2.03 0.02 . 2 . . . . . . . . 6368 1 160 . 1 1 12 12 PRO HG3 H 1 2.06 0.02 . 2 . . . . . . . . 6368 1 161 . 1 1 12 12 PRO HD2 H 1 3.80 0.02 . 1 . . . . . . . . 6368 1 162 . 1 1 12 12 PRO HD3 H 1 3.99 0.02 . 1 . . . . . . . . 6368 1 163 . 1 1 13 13 LEU N N 15 117.8 0.5 . 1 . . . . . . . . 6368 1 164 . 1 1 13 13 LEU H H 1 7.59 0.02 . 1 . . . . . . . . 6368 1 165 . 1 1 13 13 LEU CA C 13 56.9 0.5 . 1 . . . . . . . . 6368 1 166 . 1 1 13 13 LEU HA H 1 4.24 0.02 . 1 . . . . . . . . 6368 1 167 . 1 1 13 13 LEU CB C 13 41.6 0.5 . 1 . . . . . . . . 6368 1 168 . 1 1 13 13 LEU HB2 H 1 1.62 0.02 . 1 . . . . . . . . 6368 1 169 . 1 1 13 13 LEU HB3 H 1 1.78 0.02 . 1 . . . . . . . . 6368 1 170 . 1 1 13 13 LEU CG C 13 26.9 0.5 . 1 . . . . . . . . 6368 1 171 . 1 1 13 13 LEU HG H 1 1.62 0.02 . 1 . . . . . . . . 6368 1 172 . 1 1 13 13 LEU HD11 H 1 0.89 0.02 . 2 . . . . . . . . 6368 1 173 . 1 1 13 13 LEU HD12 H 1 0.89 0.02 . 2 . . . . . . . . 6368 1 174 . 1 1 13 13 LEU HD13 H 1 0.89 0.02 . 2 . . . . . . . . 6368 1 175 . 1 1 13 13 LEU HD21 H 1 0.95 0.02 . 2 . . . . . . . . 6368 1 176 . 1 1 13 13 LEU HD22 H 1 0.95 0.02 . 2 . . . . . . . . 6368 1 177 . 1 1 13 13 LEU HD23 H 1 0.95 0.02 . 2 . . . . . . . . 6368 1 178 . 1 1 13 13 LEU CD1 C 13 23.4 0.5 . 2 . . . . . . . . 6368 1 179 . 1 1 13 13 LEU CD2 C 13 24.2 0.5 . 2 . . . . . . . . 6368 1 180 . 1 1 14 14 LEU N N 15 114.9 0.5 . 1 . . . . . . . . 6368 1 181 . 1 1 14 14 LEU H H 1 6.70 0.02 . 1 . . . . . . . . 6368 1 182 . 1 1 14 14 LEU CA C 13 53.0 0.5 . 1 . . . . . . . . 6368 1 183 . 1 1 14 14 LEU HA H 1 4.44 0.02 . 1 . . . . . . . . 6368 1 184 . 1 1 14 14 LEU CB C 13 41.2 0.5 . 1 . . . . . . . . 6368 1 185 . 1 1 14 14 LEU HB2 H 1 1.09 0.02 . 1 . . . . . . . . 6368 1 186 . 1 1 14 14 LEU HB3 H 1 1.78 0.02 . 1 . . . . . . . . 6368 1 187 . 1 1 14 14 LEU CG C 13 26.6 0.5 . 1 . . . . . . . . 6368 1 188 . 1 1 14 14 LEU HG H 1 1.47 0.02 . 1 . . . . . . . . 6368 1 189 . 1 1 14 14 LEU HD11 H 1 0.81 0.02 . 1 . . . . . . . . 6368 1 190 . 1 1 14 14 LEU HD12 H 1 0.81 0.02 . 1 . . . . . . . . 6368 1 191 . 1 1 14 14 LEU HD13 H 1 0.81 0.02 . 1 . . . . . . . . 6368 1 192 . 1 1 14 14 LEU HD21 H 1 0.85 0.02 . 1 . . . . . . . . 6368 1 193 . 1 1 14 14 LEU HD22 H 1 0.85 0.02 . 1 . . . . . . . . 6368 1 194 . 1 1 14 14 LEU HD23 H 1 0.85 0.02 . 1 . . . . . . . . 6368 1 195 . 1 1 14 14 LEU CD1 C 13 21.9 0.5 . 1 . . . . . . . . 6368 1 196 . 1 1 14 14 LEU CD2 C 13 25.0 0.5 . 1 . . . . . . . . 6368 1 197 . 1 1 15 15 ASN N N 15 110.8 0.5 . 1 . . . . . . . . 6368 1 198 . 1 1 15 15 ASN H H 1 7.46 0.02 . 1 . . . . . . . . 6368 1 199 . 1 1 15 15 ASN CA C 13 54.7 0.5 . 1 . . . . . . . . 6368 1 200 . 1 1 15 15 ASN HA H 1 4.23 0.02 . 1 . . . . . . . . 6368 1 201 . 1 1 15 15 ASN CB C 13 37.7 0.5 . 1 . . . . . . . . 6368 1 202 . 1 1 15 15 ASN HB2 H 1 2.89 0.02 . 2 . . . . . . . . 6368 1 203 . 1 1 15 15 ASN HB3 H 1 2.92 0.02 . 2 . . . . . . . . 6368 1 204 . 1 1 15 15 ASN ND2 N 15 110.7 0.5 . 1 . . . . . . . . 6368 1 205 . 1 1 15 15 ASN HD21 H 1 7.79 0.02 . 1 . . . . . . . . 6368 1 206 . 1 1 15 15 ASN HD22 H 1 6.75 0.02 . 1 . . . . . . . . 6368 1 207 . 1 1 16 16 ARG N N 15 108.9 0.5 . 1 . . . . . . . . 6368 1 208 . 1 1 16 16 ARG H H 1 7.56 0.02 . 1 . . . . . . . . 6368 1 209 . 1 1 16 16 ARG CA C 13 52.9 0.5 . 1 . . . . . . . . 6368 1 210 . 1 1 16 16 ARG HA H 1 5.06 0.02 . 1 . . . . . . . . 6368 1 211 . 1 1 16 16 ARG CB C 13 31.8 0.5 . 1 . . . . . . . . 6368 1 212 . 1 1 16 16 ARG HB2 H 1 0.66 0.02 . 1 . . . . . . . . 6368 1 213 . 1 1 16 16 ARG HB3 H 1 1.05 0.02 . 1 . . . . . . . . 6368 1 214 . 1 1 16 16 ARG CG C 13 25.1 0.5 . 1 . . . . . . . . 6368 1 215 . 1 1 16 16 ARG HG2 H 1 1.00 0.02 . 2 . . . . . . . . 6368 1 216 . 1 1 16 16 ARG HG3 H 1 1.29 0.02 . 2 . . . . . . . . 6368 1 217 . 1 1 16 16 ARG CD C 13 44.5 0.5 . 1 . . . . . . . . 6368 1 218 . 1 1 16 16 ARG HD2 H 1 2.20 0.02 . 2 . . . . . . . . 6368 1 219 . 1 1 16 16 ARG HD3 H 1 2.83 0.02 . 2 . . . . . . . . 6368 1 220 . 1 1 16 16 ARG NE N 15 85.3 0.5 . 1 . . . . . . . . 6368 1 221 . 1 1 16 16 ARG HE H 1 8.72 0.02 . 1 . . . . . . . . 6368 1 222 . 1 1 17 17 ARG N N 15 120.5 0.5 . 1 . . . . . . . . 6368 1 223 . 1 1 17 17 ARG H H 1 8.69 0.02 . 1 . . . . . . . . 6368 1 224 . 1 1 17 17 ARG CA C 13 54.4 0.5 . 1 . . . . . . . . 6368 1 225 . 1 1 17 17 ARG HA H 1 4.90 0.02 . 1 . . . . . . . . 6368 1 226 . 1 1 17 17 ARG CB C 13 33.6 0.5 . 1 . . . . . . . . 6368 1 227 . 1 1 17 17 ARG HB2 H 1 1.30 0.02 . 1 . . . . . . . . 6368 1 228 . 1 1 17 17 ARG HB3 H 1 1.98 0.02 . 1 . . . . . . . . 6368 1 229 . 1 1 17 17 ARG CG C 13 25.5 0.5 . 1 . . . . . . . . 6368 1 230 . 1 1 17 17 ARG HG2 H 1 1.58 0.02 . 2 . . . . . . . . 6368 1 231 . 1 1 17 17 ARG HG3 H 1 1.65 0.02 . 2 . . . . . . . . 6368 1 232 . 1 1 17 17 ARG CD C 13 45.1 0.5 . 1 . . . . . . . . 6368 1 233 . 1 1 17 17 ARG HD2 H 1 2.97 0.02 . 2 . . . . . . . . 6368 1 234 . 1 1 17 17 ARG HD3 H 1 3.17 0.02 . 2 . . . . . . . . 6368 1 235 . 1 1 17 17 ARG NE N 15 81.9 0.5 . 1 . . . . . . . . 6368 1 236 . 1 1 17 17 ARG HE H 1 8.68 0.02 . 1 . . . . . . . . 6368 1 237 . 1 1 18 18 GLU N N 15 123.5 0.5 . 1 . . . . . . . . 6368 1 238 . 1 1 18 18 GLU H H 1 9.26 0.02 . 1 . . . . . . . . 6368 1 239 . 1 1 18 18 GLU CA C 13 55.1 0.5 . 1 . . . . . . . . 6368 1 240 . 1 1 18 18 GLU HA H 1 4.60 0.02 . 1 . . . . . . . . 6368 1 241 . 1 1 18 18 GLU CB C 13 29.9 0.5 . 1 . . . . . . . . 6368 1 242 . 1 1 18 18 GLU HB2 H 1 2.07 0.02 . 1 . . . . . . . . 6368 1 243 . 1 1 18 18 GLU HB3 H 1 2.18 0.02 . 1 . . . . . . . . 6368 1 244 . 1 1 18 18 GLU CG C 13 36.8 0.5 . 1 . . . . . . . . 6368 1 245 . 1 1 18 18 GLU HG2 H 1 2.12 0.02 . 2 . . . . . . . . 6368 1 246 . 1 1 18 18 GLU HG3 H 1 2.22 0.02 . 2 . . . . . . . . 6368 1 247 . 1 1 19 19 LEU N N 15 125.9 0.5 . 1 . . . . . . . . 6368 1 248 . 1 1 19 19 LEU H H 1 9.22 0.02 . 1 . . . . . . . . 6368 1 249 . 1 1 19 19 LEU CA C 13 53.7 0.5 . 1 . . . . . . . . 6368 1 250 . 1 1 19 19 LEU HA H 1 5.55 0.02 . 1 . . . . . . . . 6368 1 251 . 1 1 19 19 LEU CB C 13 44.7 0.5 . 1 . . . . . . . . 6368 1 252 . 1 1 19 19 LEU HB2 H 1 1.31 0.02 . 1 . . . . . . . . 6368 1 253 . 1 1 19 19 LEU HB3 H 1 1.68 0.02 . 1 . . . . . . . . 6368 1 254 . 1 1 19 19 LEU CG C 13 27.4 0.5 . 1 . . . . . . . . 6368 1 255 . 1 1 19 19 LEU HG H 1 1.48 0.02 . 1 . . . . . . . . 6368 1 256 . 1 1 19 19 LEU HD11 H 1 0.58 0.02 . 1 . . . . . . . . 6368 1 257 . 1 1 19 19 LEU HD12 H 1 0.58 0.02 . 1 . . . . . . . . 6368 1 258 . 1 1 19 19 LEU HD13 H 1 0.58 0.02 . 1 . . . . . . . . 6368 1 259 . 1 1 19 19 LEU HD21 H 1 0.79 0.02 . 1 . . . . . . . . 6368 1 260 . 1 1 19 19 LEU HD22 H 1 0.79 0.02 . 1 . . . . . . . . 6368 1 261 . 1 1 19 19 LEU HD23 H 1 0.79 0.02 . 1 . . . . . . . . 6368 1 262 . 1 1 19 19 LEU CD1 C 13 26.8 0.5 . 1 . . . . . . . . 6368 1 263 . 1 1 19 19 LEU CD2 C 13 26.0 0.5 . 1 . . . . . . . . 6368 1 264 . 1 1 20 20 ASP N N 15 122.5 0.5 . 1 . . . . . . . . 6368 1 265 . 1 1 20 20 ASP H H 1 8.92 0.02 . 1 . . . . . . . . 6368 1 266 . 1 1 20 20 ASP CA C 13 53.0 0.5 . 1 . . . . . . . . 6368 1 267 . 1 1 20 20 ASP HA H 1 5.60 0.02 . 1 . . . . . . . . 6368 1 268 . 1 1 20 20 ASP CB C 13 42.6 0.5 . 1 . . . . . . . . 6368 1 269 . 1 1 20 20 ASP HB2 H 1 2.61 0.02 . 1 . . . . . . . . 6368 1 270 . 1 1 20 20 ASP HB3 H 1 2.61 0.02 . 1 . . . . . . . . 6368 1 271 . 1 1 21 21 PHE N N 15 118.6 0.5 . 1 . . . . . . . . 6368 1 272 . 1 1 21 21 PHE H H 1 8.47 0.02 . 1 . . . . . . . . 6368 1 273 . 1 1 21 21 PHE CA C 13 55.1 0.5 . 1 . . . . . . . . 6368 1 274 . 1 1 21 21 PHE HA H 1 5.69 0.02 . 1 . . . . . . . . 6368 1 275 . 1 1 21 21 PHE CB C 13 42.5 0.5 . 1 . . . . . . . . 6368 1 276 . 1 1 21 21 PHE HB2 H 1 2.68 0.02 . 1 . . . . . . . . 6368 1 277 . 1 1 21 21 PHE HB3 H 1 3.00 0.02 . 1 . . . . . . . . 6368 1 278 . 1 1 21 21 PHE HD1 H 1 6.78 0.02 . 1 . . . . . . . . 6368 1 279 . 1 1 21 21 PHE HD2 H 1 6.78 0.02 . 1 . . . . . . . . 6368 1 280 . 1 1 21 21 PHE HE1 H 1 6.91 0.02 . 1 . . . . . . . . 6368 1 281 . 1 1 21 21 PHE HE2 H 1 6.91 0.02 . 1 . . . . . . . . 6368 1 282 . 1 1 21 21 PHE CD1 C 13 131.6 0.5 . 1 . . . . . . . . 6368 1 283 . 1 1 21 21 PHE CE1 C 13 129.5 0.5 . 1 . . . . . . . . 6368 1 284 . 1 1 21 21 PHE CZ C 13 127.8 0.5 . 1 . . . . . . . . 6368 1 285 . 1 1 21 21 PHE HZ H 1 6.86 0.02 . 1 . . . . . . . . 6368 1 286 . 1 1 21 21 PHE CE2 C 13 129.5 0.5 . 1 . . . . . . . . 6368 1 287 . 1 1 21 21 PHE CD2 C 13 131.6 0.5 . 1 . . . . . . . . 6368 1 288 . 1 1 22 22 ILE N N 15 120.2 0.5 . 1 . . . . . . . . 6368 1 289 . 1 1 22 22 ILE H H 1 9.30 0.02 . 1 . . . . . . . . 6368 1 290 . 1 1 22 22 ILE CA C 13 59.1 0.5 . 1 . . . . . . . . 6368 1 291 . 1 1 22 22 ILE HA H 1 5.07 0.02 . 1 . . . . . . . . 6368 1 292 . 1 1 22 22 ILE CB C 13 41.4 0.5 . 1 . . . . . . . . 6368 1 293 . 1 1 22 22 ILE HB H 1 1.77 0.02 . 1 . . . . . . . . 6368 1 294 . 1 1 22 22 ILE HG21 H 1 0.90 0.02 . 1 . . . . . . . . 6368 1 295 . 1 1 22 22 ILE HG22 H 1 0.90 0.02 . 1 . . . . . . . . 6368 1 296 . 1 1 22 22 ILE HG23 H 1 0.90 0.02 . 1 . . . . . . . . 6368 1 297 . 1 1 22 22 ILE CG2 C 13 17.6 0.5 . 1 . . . . . . . . 6368 1 298 . 1 1 22 22 ILE CG1 C 13 27.4 0.5 . 1 . . . . . . . . 6368 1 299 . 1 1 22 22 ILE HG12 H 1 1.12 0.02 . 1 . . . . . . . . 6368 1 300 . 1 1 22 22 ILE HG13 H 1 1.55 0.02 . 1 . . . . . . . . 6368 1 301 . 1 1 22 22 ILE HD11 H 1 0.85 0.02 . 1 . . . . . . . . 6368 1 302 . 1 1 22 22 ILE HD12 H 1 0.85 0.02 . 1 . . . . . . . . 6368 1 303 . 1 1 22 22 ILE HD13 H 1 0.85 0.02 . 1 . . . . . . . . 6368 1 304 . 1 1 22 22 ILE CD1 C 13 13.0 0.5 . 1 . . . . . . . . 6368 1 305 . 1 1 23 23 VAL N N 15 125.5 0.5 . 1 . . . . . . . . 6368 1 306 . 1 1 23 23 VAL H H 1 9.29 0.02 . 1 . . . . . . . . 6368 1 307 . 1 1 23 23 VAL CA C 13 59.7 0.5 . 1 . . . . . . . . 6368 1 308 . 1 1 23 23 VAL HA H 1 5.04 0.02 . 1 . . . . . . . . 6368 1 309 . 1 1 23 23 VAL CB C 13 34.2 0.5 . 1 . . . . . . . . 6368 1 310 . 1 1 23 23 VAL HB H 1 2.16 0.02 . 1 . . . . . . . . 6368 1 311 . 1 1 23 23 VAL HG11 H 1 1.06 0.02 . 1 . . . . . . . . 6368 1 312 . 1 1 23 23 VAL HG12 H 1 1.06 0.02 . 1 . . . . . . . . 6368 1 313 . 1 1 23 23 VAL HG13 H 1 1.06 0.02 . 1 . . . . . . . . 6368 1 314 . 1 1 23 23 VAL HG21 H 1 1.07 0.02 . 1 . . . . . . . . 6368 1 315 . 1 1 23 23 VAL HG22 H 1 1.07 0.02 . 1 . . . . . . . . 6368 1 316 . 1 1 23 23 VAL HG23 H 1 1.07 0.02 . 1 . . . . . . . . 6368 1 317 . 1 1 23 23 VAL CG1 C 13 21.8 0.5 . 1 . . . . . . . . 6368 1 318 . 1 1 23 23 VAL CG2 C 13 21.9 0.5 . 1 . . . . . . . . 6368 1 319 . 1 1 24 24 LYS N N 15 127.1 0.5 . 1 . . . . . . . . 6368 1 320 . 1 1 24 24 LYS H H 1 9.20 0.02 . 1 . . . . . . . . 6368 1 321 . 1 1 24 24 LYS CA C 13 55.1 0.5 . 1 . . . . . . . . 6368 1 322 . 1 1 24 24 LYS HA H 1 4.93 0.02 . 1 . . . . . . . . 6368 1 323 . 1 1 24 24 LYS CB C 13 34.5 0.5 . 1 . . . . . . . . 6368 1 324 . 1 1 24 24 LYS HB2 H 1 1.75 0.02 . 1 . . . . . . . . 6368 1 325 . 1 1 24 24 LYS HB3 H 1 1.97 0.02 . 1 . . . . . . . . 6368 1 326 . 1 1 24 24 LYS CG C 13 24.8 0.5 . 1 . . . . . . . . 6368 1 327 . 1 1 24 24 LYS HG2 H 1 1.45 0.02 . 2 . . . . . . . . 6368 1 328 . 1 1 24 24 LYS HG3 H 1 1.48 0.02 . 2 . . . . . . . . 6368 1 329 . 1 1 24 24 LYS CD C 13 28.7 0.5 . 1 . . . . . . . . 6368 1 330 . 1 1 24 24 LYS HD2 H 1 1.67 0.02 . 2 . . . . . . . . 6368 1 331 . 1 1 24 24 LYS HD3 H 1 1.72 0.02 . 2 . . . . . . . . 6368 1 332 . 1 1 24 24 LYS CE C 13 41.7 0.5 . 1 . . . . . . . . 6368 1 333 . 1 1 24 24 LYS HE2 H 1 2.94 0.02 . 1 . . . . . . . . 6368 1 334 . 1 1 24 24 LYS HE3 H 1 2.94 0.02 . 1 . . . . . . . . 6368 1 335 . 1 1 25 25 TYR N N 15 119.3 0.5 . 1 . . . . . . . . 6368 1 336 . 1 1 25 25 TYR H H 1 7.41 0.02 . 1 . . . . . . . . 6368 1 337 . 1 1 25 25 TYR CA C 13 55.5 0.5 . 1 . . . . . . . . 6368 1 338 . 1 1 25 25 TYR HA H 1 4.93 0.02 . 1 . . . . . . . . 6368 1 339 . 1 1 25 25 TYR CB C 13 39.1 0.5 . 1 . . . . . . . . 6368 1 340 . 1 1 25 25 TYR HB2 H 1 2.80 0.02 . 1 . . . . . . . . 6368 1 341 . 1 1 25 25 TYR HB3 H 1 3.14 0.02 . 1 . . . . . . . . 6368 1 342 . 1 1 25 25 TYR HD1 H 1 6.57 0.02 . 1 . . . . . . . . 6368 1 343 . 1 1 25 25 TYR HD2 H 1 6.57 0.02 . 1 . . . . . . . . 6368 1 344 . 1 1 25 25 TYR HE1 H 1 6.66 0.02 . 1 . . . . . . . . 6368 1 345 . 1 1 25 25 TYR HE2 H 1 6.66 0.02 . 1 . . . . . . . . 6368 1 346 . 1 1 25 25 TYR CD1 C 13 133.3 0.5 . 1 . . . . . . . . 6368 1 347 . 1 1 25 25 TYR CE1 C 13 117.5 0.5 . 1 . . . . . . . . 6368 1 348 . 1 1 25 25 TYR CE2 C 13 117.5 0.5 . 1 . . . . . . . . 6368 1 349 . 1 1 25 25 TYR CD2 C 13 133.3 0.5 . 1 . . . . . . . . 6368 1 350 . 1 1 26 26 GLU N N 15 118.1 0.5 . 1 . . . . . . . . 6368 1 351 . 1 1 26 26 GLU H H 1 8.52 0.02 . 1 . . . . . . . . 6368 1 352 . 1 1 26 26 GLU CA C 13 55.2 0.5 . 1 . . . . . . . . 6368 1 353 . 1 1 26 26 GLU HA H 1 4.50 0.02 . 1 . . . . . . . . 6368 1 354 . 1 1 26 26 GLU CB C 13 31.0 0.5 . 1 . . . . . . . . 6368 1 355 . 1 1 26 26 GLU HB2 H 1 1.94 0.02 . 1 . . . . . . . . 6368 1 356 . 1 1 26 26 GLU HB3 H 1 2.05 0.02 . 1 . . . . . . . . 6368 1 357 . 1 1 26 26 GLU CG C 13 35.8 0.5 . 1 . . . . . . . . 6368 1 358 . 1 1 26 26 GLU HG2 H 1 2.24 0.02 . 1 . . . . . . . . 6368 1 359 . 1 1 26 26 GLU HG3 H 1 2.24 0.02 . 1 . . . . . . . . 6368 1 360 . 1 1 27 27 GLY N N 15 111.5 0.5 . 1 . . . . . . . . 6368 1 361 . 1 1 27 27 GLY H H 1 8.62 0.02 . 1 . . . . . . . . 6368 1 362 . 1 1 27 27 GLY CA C 13 45.3 0.5 . 1 . . . . . . . . 6368 1 363 . 1 1 27 27 GLY HA2 H 1 4.17 0.02 . 1 . . . . . . . . 6368 1 364 . 1 1 27 27 GLY HA3 H 1 3.86 0.02 . 1 . . . . . . . . 6368 1 365 . 1 1 28 28 SER N N 15 118.7 0.5 . 1 . . . . . . . . 6368 1 366 . 1 1 28 28 SER H H 1 8.29 0.02 . 1 . . . . . . . . 6368 1 367 . 1 1 28 28 SER CA C 13 58.2 0.5 . 1 . . . . . . . . 6368 1 368 . 1 1 28 28 SER HA H 1 4.45 0.02 . 1 . . . . . . . . 6368 1 369 . 1 1 28 28 SER CB C 13 63.8 0.5 . 1 . . . . . . . . 6368 1 370 . 1 1 28 28 SER HB2 H 1 3.86 0.02 . 1 . . . . . . . . 6368 1 371 . 1 1 28 28 SER HB3 H 1 3.77 0.02 . 1 . . . . . . . . 6368 1 372 . 1 1 29 29 THR N N 15 118.9 0.5 . 1 . . . . . . . . 6368 1 373 . 1 1 29 29 THR H H 1 8.23 0.02 . 1 . . . . . . . . 6368 1 374 . 1 1 29 29 THR CA C 13 60.6 0.5 . 1 . . . . . . . . 6368 1 375 . 1 1 29 29 THR HA H 1 3.35 0.02 . 1 . . . . . . . . 6368 1 376 . 1 1 29 29 THR CB C 13 69.6 0.5 . 1 . . . . . . . . 6368 1 377 . 1 1 29 29 THR HB H 1 3.75 0.02 . 1 . . . . . . . . 6368 1 378 . 1 1 29 29 THR HG21 H 1 1.08 0.02 . 1 . . . . . . . . 6368 1 379 . 1 1 29 29 THR HG22 H 1 1.08 0.02 . 1 . . . . . . . . 6368 1 380 . 1 1 29 29 THR HG23 H 1 1.08 0.02 . 1 . . . . . . . . 6368 1 381 . 1 1 29 29 THR CG2 C 13 21.1 0.5 . 1 . . . . . . . . 6368 1 382 . 1 1 30 30 PRO CD C 13 49.6 0.5 . 1 . . . . . . . . 6368 1 383 . 1 1 30 30 PRO CA C 13 61.7 0.5 . 1 . . . . . . . . 6368 1 384 . 1 1 30 30 PRO HA H 1 4.35 0.02 . 1 . . . . . . . . 6368 1 385 . 1 1 30 30 PRO CB C 13 32.4 0.5 . 1 . . . . . . . . 6368 1 386 . 1 1 30 30 PRO HB2 H 1 1.65 0.02 . 1 . . . . . . . . 6368 1 387 . 1 1 30 30 PRO HB3 H 1 2.18 0.02 . 1 . . . . . . . . 6368 1 388 . 1 1 30 30 PRO CG C 13 27.1 0.5 . 1 . . . . . . . . 6368 1 389 . 1 1 30 30 PRO HG2 H 1 1.53 0.02 . 2 . . . . . . . . 6368 1 390 . 1 1 30 30 PRO HG3 H 1 1.61 0.02 . 2 . . . . . . . . 6368 1 391 . 1 1 30 30 PRO HD2 H 1 2.57 0.02 . 2 . . . . . . . . 6368 1 392 . 1 1 30 30 PRO HD3 H 1 2.67 0.02 . 2 . . . . . . . . 6368 1 393 . 1 1 31 31 SER N N 15 117.4 0.5 . 1 . . . . . . . . 6368 1 394 . 1 1 31 31 SER H H 1 8.88 0.02 . 1 . . . . . . . . 6368 1 395 . 1 1 31 31 SER CA C 13 56.6 0.5 . 1 . . . . . . . . 6368 1 396 . 1 1 31 31 SER HA H 1 4.38 0.02 . 1 . . . . . . . . 6368 1 397 . 1 1 31 31 SER CB C 13 64.9 0.5 . 1 . . . . . . . . 6368 1 398 . 1 1 31 31 SER HB2 H 1 3.99 0.02 . 1 . . . . . . . . 6368 1 399 . 1 1 31 31 SER HB3 H 1 4.28 0.02 . 1 . . . . . . . . 6368 1 400 . 1 1 32 32 ARG N N 15 122.0 0.5 . 1 . . . . . . . . 6368 1 401 . 1 1 32 32 ARG H H 1 8.89 0.02 . 1 . . . . . . . . 6368 1 402 . 1 1 32 32 ARG CA C 13 59.9 0.5 . 1 . . . . . . . . 6368 1 403 . 1 1 32 32 ARG HA H 1 3.75 0.02 . 1 . . . . . . . . 6368 1 404 . 1 1 32 32 ARG CB C 13 29.7 0.5 . 1 . . . . . . . . 6368 1 405 . 1 1 32 32 ARG HB2 H 1 1.83 0.02 . 2 . . . . . . . . 6368 1 406 . 1 1 32 32 ARG HB3 H 1 1.94 0.02 . 2 . . . . . . . . 6368 1 407 . 1 1 32 32 ARG CG C 13 27.9 0.5 . 1 . . . . . . . . 6368 1 408 . 1 1 32 32 ARG HG2 H 1 1.62 0.02 . 1 . . . . . . . . 6368 1 409 . 1 1 32 32 ARG HG3 H 1 1.62 0.02 . 1 . . . . . . . . 6368 1 410 . 1 1 32 32 ARG CD C 13 43.3 0.5 . 1 . . . . . . . . 6368 1 411 . 1 1 32 32 ARG HD2 H 1 3.25 0.02 . 1 . . . . . . . . 6368 1 412 . 1 1 32 32 ARG HD3 H 1 3.25 0.02 . 1 . . . . . . . . 6368 1 413 . 1 1 32 32 ARG NE N 15 84.0 0.5 . 1 . . . . . . . . 6368 1 414 . 1 1 32 32 ARG HE H 1 7.38 0.02 . 1 . . . . . . . . 6368 1 415 . 1 1 33 33 ASN N N 15 116.2 0.5 . 1 . . . . . . . . 6368 1 416 . 1 1 33 33 ASN H H 1 8.48 0.02 . 1 . . . . . . . . 6368 1 417 . 1 1 33 33 ASN CA C 13 55.9 0.5 . 1 . . . . . . . . 6368 1 418 . 1 1 33 33 ASN HA H 1 4.38 0.02 . 1 . . . . . . . . 6368 1 419 . 1 1 33 33 ASN CB C 13 37.9 0.5 . 1 . . . . . . . . 6368 1 420 . 1 1 33 33 ASN HB2 H 1 2.70 0.02 . 1 . . . . . . . . 6368 1 421 . 1 1 33 33 ASN HB3 H 1 2.70 0.02 . 1 . . . . . . . . 6368 1 422 . 1 1 33 33 ASN ND2 N 15 113.3 0.5 . 1 . . . . . . . . 6368 1 423 . 1 1 33 33 ASN HD21 H 1 7.68 0.02 . 1 . . . . . . . . 6368 1 424 . 1 1 33 33 ASN HD22 H 1 7.03 0.02 . 1 . . . . . . . . 6368 1 425 . 1 1 34 34 ASP N N 15 121.4 0.5 . 1 . . . . . . . . 6368 1 426 . 1 1 34 34 ASP H H 1 7.90 0.02 . 1 . . . . . . . . 6368 1 427 . 1 1 34 34 ASP CA C 13 57.3 0.5 . 1 . . . . . . . . 6368 1 428 . 1 1 34 34 ASP HA H 1 4.39 0.02 . 1 . . . . . . . . 6368 1 429 . 1 1 34 34 ASP CB C 13 39.9 0.5 . 1 . . . . . . . . 6368 1 430 . 1 1 34 34 ASP HB2 H 1 2.49 0.02 . 1 . . . . . . . . 6368 1 431 . 1 1 34 34 ASP HB3 H 1 2.88 0.02 . 1 . . . . . . . . 6368 1 432 . 1 1 35 35 VAL N N 15 120.7 0.5 . 1 . . . . . . . . 6368 1 433 . 1 1 35 35 VAL H H 1 7.98 0.02 . 1 . . . . . . . . 6368 1 434 . 1 1 35 35 VAL CA C 13 66.3 0.5 . 1 . . . . . . . . 6368 1 435 . 1 1 35 35 VAL HA H 1 3.38 0.02 . 1 . . . . . . . . 6368 1 436 . 1 1 35 35 VAL CB C 13 31.4 0.5 . 1 . . . . . . . . 6368 1 437 . 1 1 35 35 VAL HB H 1 2.08 0.02 . 1 . . . . . . . . 6368 1 438 . 1 1 35 35 VAL HG11 H 1 0.77 0.02 . 1 . . . . . . . . 6368 1 439 . 1 1 35 35 VAL HG12 H 1 0.77 0.02 . 1 . . . . . . . . 6368 1 440 . 1 1 35 35 VAL HG13 H 1 0.77 0.02 . 1 . . . . . . . . 6368 1 441 . 1 1 35 35 VAL HG21 H 1 0.96 0.02 . 1 . . . . . . . . 6368 1 442 . 1 1 35 35 VAL HG22 H 1 0.96 0.02 . 1 . . . . . . . . 6368 1 443 . 1 1 35 35 VAL HG23 H 1 0.96 0.02 . 1 . . . . . . . . 6368 1 444 . 1 1 35 35 VAL CG1 C 13 21.9 0.5 . 1 . . . . . . . . 6368 1 445 . 1 1 35 35 VAL CG2 C 13 23.0 0.5 . 1 . . . . . . . . 6368 1 446 . 1 1 36 36 ARG N N 15 119.8 0.5 . 1 . . . . . . . . 6368 1 447 . 1 1 36 36 ARG H H 1 8.47 0.02 . 1 . . . . . . . . 6368 1 448 . 1 1 36 36 ARG CA C 13 60.1 0.5 . 1 . . . . . . . . 6368 1 449 . 1 1 36 36 ARG HA H 1 3.53 0.02 . 1 . . . . . . . . 6368 1 450 . 1 1 36 36 ARG CB C 13 30.5 0.5 . 1 . . . . . . . . 6368 1 451 . 1 1 36 36 ARG HB2 H 1 1.85 0.02 . 1 . . . . . . . . 6368 1 452 . 1 1 36 36 ARG HB3 H 1 2.05 0.02 . 1 . . . . . . . . 6368 1 453 . 1 1 36 36 ARG CG C 13 27.5 0.5 . 1 . . . . . . . . 6368 1 454 . 1 1 36 36 ARG HG2 H 1 1.51 0.02 . 2 . . . . . . . . 6368 1 455 . 1 1 36 36 ARG HG3 H 1 1.56 0.02 . 2 . . . . . . . . 6368 1 456 . 1 1 36 36 ARG CD C 13 43.5 0.5 . 1 . . . . . . . . 6368 1 457 . 1 1 36 36 ARG HD2 H 1 3.24 0.02 . 2 . . . . . . . . 6368 1 458 . 1 1 36 36 ARG HD3 H 1 3.35 0.02 . 2 . . . . . . . . 6368 1 459 . 1 1 36 36 ARG NE N 15 82.8 0.5 . 1 . . . . . . . . 6368 1 460 . 1 1 36 36 ARG HE H 1 6.88 0.02 . 1 . . . . . . . . 6368 1 461 . 1 1 37 37 ASN N N 15 115.3 0.5 . 1 . . . . . . . . 6368 1 462 . 1 1 37 37 ASN H H 1 8.09 0.02 . 1 . . . . . . . . 6368 1 463 . 1 1 37 37 ASN CA C 13 55.9 0.5 . 1 . . . . . . . . 6368 1 464 . 1 1 37 37 ASN HA H 1 4.26 0.02 . 1 . . . . . . . . 6368 1 465 . 1 1 37 37 ASN CB C 13 38.2 0.5 . 1 . . . . . . . . 6368 1 466 . 1 1 37 37 ASN HB2 H 1 2.72 0.02 . 1 . . . . . . . . 6368 1 467 . 1 1 37 37 ASN HB3 H 1 2.84 0.02 . 1 . . . . . . . . 6368 1 468 . 1 1 37 37 ASN ND2 N 15 111.2 0.5 . 1 . . . . . . . . 6368 1 469 . 1 1 37 37 ASN HD21 H 1 7.55 0.02 . 1 . . . . . . . . 6368 1 470 . 1 1 37 37 ASN HD22 H 1 6.72 0.02 . 1 . . . . . . . . 6368 1 471 . 1 1 38 38 LYS N N 15 120.6 0.5 . 1 . . . . . . . . 6368 1 472 . 1 1 38 38 LYS H H 1 7.62 0.02 . 1 . . . . . . . . 6368 1 473 . 1 1 38 38 LYS CA C 13 58.0 0.5 . 1 . . . . . . . . 6368 1 474 . 1 1 38 38 LYS HA H 1 4.15 0.02 . 1 . . . . . . . . 6368 1 475 . 1 1 38 38 LYS CB C 13 31.8 0.5 . 1 . . . . . . . . 6368 1 476 . 1 1 38 38 LYS HB2 H 1 1.83 0.02 . 1 . . . . . . . . 6368 1 477 . 1 1 38 38 LYS HB3 H 1 1.91 0.02 . 1 . . . . . . . . 6368 1 478 . 1 1 38 38 LYS CG C 13 25.1 0.5 . 1 . . . . . . . . 6368 1 479 . 1 1 38 38 LYS HG2 H 1 1.37 0.02 . 1 . . . . . . . . 6368 1 480 . 1 1 38 38 LYS HG3 H 1 1.37 0.02 . 1 . . . . . . . . 6368 1 481 . 1 1 38 38 LYS CD C 13 28.2 0.5 . 1 . . . . . . . . 6368 1 482 . 1 1 38 38 LYS HD2 H 1 1.63 0.02 . 2 . . . . . . . . 6368 1 483 . 1 1 38 38 LYS HD3 H 1 1.83 0.02 . 2 . . . . . . . . 6368 1 484 . 1 1 38 38 LYS CE C 13 42.2 0.5 . 1 . . . . . . . . 6368 1 485 . 1 1 38 38 LYS HE2 H 1 3.04 0.02 . 1 . . . . . . . . 6368 1 486 . 1 1 38 38 LYS HE3 H 1 3.04 0.02 . 1 . . . . . . . . 6368 1 487 . 1 1 39 39 LEU N N 15 120.5 0.5 . 1 . . . . . . . . 6368 1 488 . 1 1 39 39 LEU H H 1 8.62 0.02 . 1 . . . . . . . . 6368 1 489 . 1 1 39 39 LEU CA C 13 57.2 0.5 . 1 . . . . . . . . 6368 1 490 . 1 1 39 39 LEU HA H 1 3.89 0.02 . 1 . . . . . . . . 6368 1 491 . 1 1 39 39 LEU CB C 13 41.4 0.5 . 1 . . . . . . . . 6368 1 492 . 1 1 39 39 LEU HB2 H 1 1.08 0.02 . 2 . . . . . . . . 6368 1 493 . 1 1 39 39 LEU HB3 H 1 1.39 0.02 . 2 . . . . . . . . 6368 1 494 . 1 1 39 39 LEU CG C 13 26.1 0.5 . 1 . . . . . . . . 6368 1 495 . 1 1 39 39 LEU HG H 1 1.19 0.02 . 1 . . . . . . . . 6368 1 496 . 1 1 39 39 LEU HD11 H 1 0.00 0.02 . 2 . . . . . . . . 6368 1 497 . 1 1 39 39 LEU HD12 H 1 0.00 0.02 . 2 . . . . . . . . 6368 1 498 . 1 1 39 39 LEU HD13 H 1 0.00 0.02 . 2 . . . . . . . . 6368 1 499 . 1 1 39 39 LEU HD21 H 1 0.27 0.02 . 2 . . . . . . . . 6368 1 500 . 1 1 39 39 LEU HD22 H 1 0.27 0.02 . 2 . . . . . . . . 6368 1 501 . 1 1 39 39 LEU HD23 H 1 0.27 0.02 . 2 . . . . . . . . 6368 1 502 . 1 1 39 39 LEU CD1 C 13 25.1 0.5 . 2 . . . . . . . . 6368 1 503 . 1 1 39 39 LEU CD2 C 13 23.3 0.5 . 2 . . . . . . . . 6368 1 504 . 1 1 40 40 ALA N N 15 119.4 0.5 . 1 . . . . . . . . 6368 1 505 . 1 1 40 40 ALA H H 1 8.28 0.02 . 1 . . . . . . . . 6368 1 506 . 1 1 40 40 ALA CA C 13 56.0 0.5 . 1 . . . . . . . . 6368 1 507 . 1 1 40 40 ALA HA H 1 3.70 0.02 . 1 . . . . . . . . 6368 1 508 . 1 1 40 40 ALA HB1 H 1 1.46 0.02 . 1 . . . . . . . . 6368 1 509 . 1 1 40 40 ALA HB2 H 1 1.46 0.02 . 1 . . . . . . . . 6368 1 510 . 1 1 40 40 ALA HB3 H 1 1.46 0.02 . 1 . . . . . . . . 6368 1 511 . 1 1 40 40 ALA CB C 13 17.3 0.5 . 1 . . . . . . . . 6368 1 512 . 1 1 41 41 ALA N N 15 118.1 0.5 . 1 . . . . . . . . 6368 1 513 . 1 1 41 41 ALA H H 1 7.39 0.02 . 1 . . . . . . . . 6368 1 514 . 1 1 41 41 ALA CA C 13 54.5 0.5 . 1 . . . . . . . . 6368 1 515 . 1 1 41 41 ALA HA H 1 4.21 0.02 . 1 . . . . . . . . 6368 1 516 . 1 1 41 41 ALA HB1 H 1 1.53 0.02 . 1 . . . . . . . . 6368 1 517 . 1 1 41 41 ALA HB2 H 1 1.53 0.02 . 1 . . . . . . . . 6368 1 518 . 1 1 41 41 ALA HB3 H 1 1.53 0.02 . 1 . . . . . . . . 6368 1 519 . 1 1 41 41 ALA CB C 13 17.9 0.5 . 1 . . . . . . . . 6368 1 520 . 1 1 42 42 MET N N 15 118.5 0.5 . 1 . . . . . . . . 6368 1 521 . 1 1 42 42 MET H H 1 8.16 0.02 . 1 . . . . . . . . 6368 1 522 . 1 1 42 42 MET CA C 13 58.5 0.5 . 1 . . . . . . . . 6368 1 523 . 1 1 42 42 MET HA H 1 4.04 0.02 . 1 . . . . . . . . 6368 1 524 . 1 1 42 42 MET CB C 13 33.2 0.5 . 1 . . . . . . . . 6368 1 525 . 1 1 42 42 MET HB2 H 1 2.17 0.02 . 1 . . . . . . . . 6368 1 526 . 1 1 42 42 MET HB3 H 1 2.17 0.02 . 1 . . . . . . . . 6368 1 527 . 1 1 42 42 MET CG C 13 31.4 0.5 . 1 . . . . . . . . 6368 1 528 . 1 1 42 42 MET HG2 H 1 2.64 0.02 . 1 . . . . . . . . 6368 1 529 . 1 1 42 42 MET HG3 H 1 2.64 0.02 . 1 . . . . . . . . 6368 1 530 . 1 1 42 42 MET HE1 H 1 2.08 0.02 . 1 . . . . . . . . 6368 1 531 . 1 1 42 42 MET HE2 H 1 2.08 0.02 . 1 . . . . . . . . 6368 1 532 . 1 1 42 42 MET HE3 H 1 2.08 0.02 . 1 . . . . . . . . 6368 1 533 . 1 1 42 42 MET CE C 13 16.2 0.5 . 1 . . . . . . . . 6368 1 534 . 1 1 43 43 LEU N N 15 116.4 0.5 . 1 . . . . . . . . 6368 1 535 . 1 1 43 43 LEU H H 1 7.72 0.02 . 1 . . . . . . . . 6368 1 536 . 1 1 43 43 LEU CA C 13 54.0 0.5 . 1 . . . . . . . . 6368 1 537 . 1 1 43 43 LEU HA H 1 4.19 0.02 . 1 . . . . . . . . 6368 1 538 . 1 1 43 43 LEU CB C 13 42.5 0.5 . 1 . . . . . . . . 6368 1 539 . 1 1 43 43 LEU HB2 H 1 1.42 0.02 . 1 . . . . . . . . 6368 1 540 . 1 1 43 43 LEU HB3 H 1 1.58 0.02 . 1 . . . . . . . . 6368 1 541 . 1 1 43 43 LEU CG C 13 26.3 0.5 . 1 . . . . . . . . 6368 1 542 . 1 1 43 43 LEU HG H 1 1.69 0.02 . 1 . . . . . . . . 6368 1 543 . 1 1 43 43 LEU HD11 H 1 0.58 0.02 . 1 . . . . . . . . 6368 1 544 . 1 1 43 43 LEU HD12 H 1 0.58 0.02 . 1 . . . . . . . . 6368 1 545 . 1 1 43 43 LEU HD13 H 1 0.58 0.02 . 1 . . . . . . . . 6368 1 546 . 1 1 43 43 LEU HD21 H 1 0.68 0.02 . 1 . . . . . . . . 6368 1 547 . 1 1 43 43 LEU HD22 H 1 0.68 0.02 . 1 . . . . . . . . 6368 1 548 . 1 1 43 43 LEU HD23 H 1 0.68 0.02 . 1 . . . . . . . . 6368 1 549 . 1 1 43 43 LEU CD1 C 13 26.8 0.5 . 1 . . . . . . . . 6368 1 550 . 1 1 43 43 LEU CD2 C 13 21.7 0.5 . 1 . . . . . . . . 6368 1 551 . 1 1 44 44 ASN N N 15 118.1 0.5 . 1 . . . . . . . . 6368 1 552 . 1 1 44 44 ASN H H 1 7.93 0.02 . 1 . . . . . . . . 6368 1 553 . 1 1 44 44 ASN CA C 13 53.9 0.5 . 1 . . . . . . . . 6368 1 554 . 1 1 44 44 ASN HA H 1 4.28 0.02 . 1 . . . . . . . . 6368 1 555 . 1 1 44 44 ASN CB C 13 37.1 0.5 . 1 . . . . . . . . 6368 1 556 . 1 1 44 44 ASN HB2 H 1 2.67 0.02 . 2 . . . . . . . . 6368 1 557 . 1 1 44 44 ASN HB3 H 1 3.12 0.02 . 2 . . . . . . . . 6368 1 558 . 1 1 44 44 ASN ND2 N 15 111.7 0.5 . 1 . . . . . . . . 6368 1 559 . 1 1 44 44 ASN HD21 H 1 7.47 0.02 . 2 . . . . . . . . 6368 1 560 . 1 1 44 44 ASN HD22 H 1 6.76 0.02 . 2 . . . . . . . . 6368 1 561 . 1 1 45 45 ALA N N 15 120.4 0.5 . 1 . . . . . . . . 6368 1 562 . 1 1 45 45 ALA H H 1 8.16 0.02 . 1 . . . . . . . . 6368 1 563 . 1 1 45 45 ALA CA C 13 48.8 0.5 . 1 . . . . . . . . 6368 1 564 . 1 1 45 45 ALA HA H 1 4.94 0.02 . 1 . . . . . . . . 6368 1 565 . 1 1 45 45 ALA HB1 H 1 1.14 0.02 . 1 . . . . . . . . 6368 1 566 . 1 1 45 45 ALA HB2 H 1 1.14 0.02 . 1 . . . . . . . . 6368 1 567 . 1 1 45 45 ALA HB3 H 1 1.14 0.02 . 1 . . . . . . . . 6368 1 568 . 1 1 45 45 ALA CB C 13 22.3 0.5 . 1 . . . . . . . . 6368 1 569 . 1 1 46 46 PRO CD C 13 50.7 0.5 . 1 . . . . . . . . 6368 1 570 . 1 1 46 46 PRO CA C 13 61.9 0.5 . 1 . . . . . . . . 6368 1 571 . 1 1 46 46 PRO HA H 1 4.38 0.02 . 1 . . . . . . . . 6368 1 572 . 1 1 46 46 PRO CB C 13 31.7 0.5 . 1 . . . . . . . . 6368 1 573 . 1 1 46 46 PRO HB2 H 1 1.78 0.02 . 1 . . . . . . . . 6368 1 574 . 1 1 46 46 PRO HB3 H 1 2.34 0.02 . 1 . . . . . . . . 6368 1 575 . 1 1 46 46 PRO CG C 13 27.9 0.5 . 1 . . . . . . . . 6368 1 576 . 1 1 46 46 PRO HG2 H 1 1.97 0.02 . 2 . . . . . . . . 6368 1 577 . 1 1 46 46 PRO HG3 H 1 2.09 0.02 . 2 . . . . . . . . 6368 1 578 . 1 1 46 46 PRO HD2 H 1 3.53 0.02 . 1 . . . . . . . . 6368 1 579 . 1 1 46 46 PRO HD3 H 1 3.88 0.02 . 1 . . . . . . . . 6368 1 580 . 1 1 47 47 LEU N N 15 125.2 0.5 . 1 . . . . . . . . 6368 1 581 . 1 1 47 47 LEU H H 1 8.17 0.02 . 1 . . . . . . . . 6368 1 582 . 1 1 47 47 LEU CA C 13 58.1 0.5 . 1 . . . . . . . . 6368 1 583 . 1 1 47 47 LEU HA H 1 3.63 0.02 . 1 . . . . . . . . 6368 1 584 . 1 1 47 47 LEU CB C 13 42.6 0.5 . 1 . . . . . . . . 6368 1 585 . 1 1 47 47 LEU HB2 H 1 1.53 0.02 . 2 . . . . . . . . 6368 1 586 . 1 1 47 47 LEU HB3 H 1 1.57 0.02 . 2 . . . . . . . . 6368 1 587 . 1 1 47 47 LEU CG C 13 26.8 0.5 . 1 . . . . . . . . 6368 1 588 . 1 1 47 47 LEU HG H 1 1.58 0.02 . 1 . . . . . . . . 6368 1 589 . 1 1 47 47 LEU HD11 H 1 0.86 0.02 . 1 . . . . . . . . 6368 1 590 . 1 1 47 47 LEU HD12 H 1 0.86 0.02 . 1 . . . . . . . . 6368 1 591 . 1 1 47 47 LEU HD13 H 1 0.86 0.02 . 1 . . . . . . . . 6368 1 592 . 1 1 47 47 LEU HD21 H 1 0.86 0.02 . 1 . . . . . . . . 6368 1 593 . 1 1 47 47 LEU HD22 H 1 0.86 0.02 . 1 . . . . . . . . 6368 1 594 . 1 1 47 47 LEU HD23 H 1 0.86 0.02 . 1 . . . . . . . . 6368 1 595 . 1 1 47 47 LEU CD1 C 13 24.9 0.5 . 1 . . . . . . . . 6368 1 596 . 1 1 47 47 LEU CD2 C 13 24.8 0.5 . 1 . . . . . . . . 6368 1 597 . 1 1 48 48 GLU N N 15 112.5 0.5 . 1 . . . . . . . . 6368 1 598 . 1 1 48 48 GLU H H 1 8.85 0.02 . 1 . . . . . . . . 6368 1 599 . 1 1 48 48 GLU CA C 13 58.3 0.5 . 1 . . . . . . . . 6368 1 600 . 1 1 48 48 GLU HA H 1 3.95 0.02 . 1 . . . . . . . . 6368 1 601 . 1 1 48 48 GLU CB C 13 28.6 0.5 . 1 . . . . . . . . 6368 1 602 . 1 1 48 48 GLU HB2 H 1 1.96 0.02 . 1 . . . . . . . . 6368 1 603 . 1 1 48 48 GLU HB3 H 1 1.96 0.02 . 1 . . . . . . . . 6368 1 604 . 1 1 48 48 GLU CG C 13 35.8 0.5 . 1 . . . . . . . . 6368 1 605 . 1 1 48 48 GLU HG2 H 1 2.23 0.02 . 1 . . . . . . . . 6368 1 606 . 1 1 48 48 GLU HG3 H 1 2.23 0.02 . 1 . . . . . . . . 6368 1 607 . 1 1 49 49 LEU N N 15 115.5 0.5 . 1 . . . . . . . . 6368 1 608 . 1 1 49 49 LEU H H 1 7.11 0.02 . 1 . . . . . . . . 6368 1 609 . 1 1 49 49 LEU CA C 13 53.9 0.5 . 1 . . . . . . . . 6368 1 610 . 1 1 49 49 LEU HA H 1 4.74 0.02 . 1 . . . . . . . . 6368 1 611 . 1 1 49 49 LEU CB C 13 40.7 0.5 . 1 . . . . . . . . 6368 1 612 . 1 1 49 49 LEU HB2 H 1 1.54 0.02 . 1 . . . . . . . . 6368 1 613 . 1 1 49 49 LEU HB3 H 1 2.02 0.02 . 1 . . . . . . . . 6368 1 614 . 1 1 49 49 LEU CG C 13 27.1 0.5 . 1 . . . . . . . . 6368 1 615 . 1 1 49 49 LEU HG H 1 1.45 0.02 . 1 . . . . . . . . 6368 1 616 . 1 1 49 49 LEU HD11 H 1 0.60 0.02 . 1 . . . . . . . . 6368 1 617 . 1 1 49 49 LEU HD12 H 1 0.60 0.02 . 1 . . . . . . . . 6368 1 618 . 1 1 49 49 LEU HD13 H 1 0.60 0.02 . 1 . . . . . . . . 6368 1 619 . 1 1 49 49 LEU HD21 H 1 0.78 0.02 . 1 . . . . . . . . 6368 1 620 . 1 1 49 49 LEU HD22 H 1 0.78 0.02 . 1 . . . . . . . . 6368 1 621 . 1 1 49 49 LEU HD23 H 1 0.78 0.02 . 1 . . . . . . . . 6368 1 622 . 1 1 49 49 LEU CD1 C 13 21.8 0.5 . 1 . . . . . . . . 6368 1 623 . 1 1 49 49 LEU CD2 C 13 25.2 0.5 . 1 . . . . . . . . 6368 1 624 . 1 1 50 50 LEU N N 15 121.2 0.5 . 1 . . . . . . . . 6368 1 625 . 1 1 50 50 LEU H H 1 7.50 0.02 . 1 . . . . . . . . 6368 1 626 . 1 1 50 50 LEU CA C 13 53.4 0.5 . 1 . . . . . . . . 6368 1 627 . 1 1 50 50 LEU HA H 1 5.10 0.02 . 1 . . . . . . . . 6368 1 628 . 1 1 50 50 LEU CB C 13 44.3 0.5 . 1 . . . . . . . . 6368 1 629 . 1 1 50 50 LEU HB2 H 1 1.11 0.02 . 2 . . . . . . . . 6368 1 630 . 1 1 50 50 LEU HB3 H 1 1.95 0.02 . 2 . . . . . . . . 6368 1 631 . 1 1 50 50 LEU CG C 13 27.5 0.5 . 1 . . . . . . . . 6368 1 632 . 1 1 50 50 LEU HG H 1 1.25 0.02 . 1 . . . . . . . . 6368 1 633 . 1 1 50 50 LEU HD11 H 1 0.61 0.02 . 2 . . . . . . . . 6368 1 634 . 1 1 50 50 LEU HD12 H 1 0.61 0.02 . 2 . . . . . . . . 6368 1 635 . 1 1 50 50 LEU HD13 H 1 0.61 0.02 . 2 . . . . . . . . 6368 1 636 . 1 1 50 50 LEU HD21 H 1 0.72 0.02 . 2 . . . . . . . . 6368 1 637 . 1 1 50 50 LEU HD22 H 1 0.72 0.02 . 2 . . . . . . . . 6368 1 638 . 1 1 50 50 LEU HD23 H 1 0.72 0.02 . 2 . . . . . . . . 6368 1 639 . 1 1 50 50 LEU CD1 C 13 23.9 0.5 . 2 . . . . . . . . 6368 1 640 . 1 1 50 50 LEU CD2 C 13 27.2 0.5 . 2 . . . . . . . . 6368 1 641 . 1 1 51 51 VAL N N 15 126.5 0.5 . 1 . . . . . . . . 6368 1 642 . 1 1 51 51 VAL H H 1 9.40 0.02 . 1 . . . . . . . . 6368 1 643 . 1 1 51 51 VAL CA C 13 60.4 0.5 . 1 . . . . . . . . 6368 1 644 . 1 1 51 51 VAL HA H 1 4.34 0.02 . 1 . . . . . . . . 6368 1 645 . 1 1 51 51 VAL CB C 13 34.8 0.5 . 1 . . . . . . . . 6368 1 646 . 1 1 51 51 VAL HB H 1 2.06 0.02 . 1 . . . . . . . . 6368 1 647 . 1 1 51 51 VAL HG11 H 1 0.89 0.02 . 1 . . . . . . . . 6368 1 648 . 1 1 51 51 VAL HG12 H 1 0.89 0.02 . 1 . . . . . . . . 6368 1 649 . 1 1 51 51 VAL HG13 H 1 0.89 0.02 . 1 . . . . . . . . 6368 1 650 . 1 1 51 51 VAL HG21 H 1 0.99 0.02 . 1 . . . . . . . . 6368 1 651 . 1 1 51 51 VAL HG22 H 1 0.99 0.02 . 1 . . . . . . . . 6368 1 652 . 1 1 51 51 VAL HG23 H 1 0.99 0.02 . 1 . . . . . . . . 6368 1 653 . 1 1 51 51 VAL CG1 C 13 20.9 0.5 . 1 . . . . . . . . 6368 1 654 . 1 1 51 51 VAL CG2 C 13 21.0 0.5 . 1 . . . . . . . . 6368 1 655 . 1 1 52 52 ILE N N 15 126.6 0.5 . 1 . . . . . . . . 6368 1 656 . 1 1 52 52 ILE H H 1 9.12 0.02 . 1 . . . . . . . . 6368 1 657 . 1 1 52 52 ILE CA C 13 59.8 0.5 . 1 . . . . . . . . 6368 1 658 . 1 1 52 52 ILE HA H 1 4.28 0.02 . 1 . . . . . . . . 6368 1 659 . 1 1 52 52 ILE CB C 13 36.0 0.5 . 1 . . . . . . . . 6368 1 660 . 1 1 52 52 ILE HB H 1 2.06 0.02 . 1 . . . . . . . . 6368 1 661 . 1 1 52 52 ILE HG21 H 1 0.89 0.02 . 1 . . . . . . . . 6368 1 662 . 1 1 52 52 ILE HG22 H 1 0.89 0.02 . 1 . . . . . . . . 6368 1 663 . 1 1 52 52 ILE HG23 H 1 0.89 0.02 . 1 . . . . . . . . 6368 1 664 . 1 1 52 52 ILE CG2 C 13 17.5 0.5 . 1 . . . . . . . . 6368 1 665 . 1 1 52 52 ILE CG1 C 13 27.4 0.5 . 1 . . . . . . . . 6368 1 666 . 1 1 52 52 ILE HG12 H 1 1.25 0.02 . 1 . . . . . . . . 6368 1 667 . 1 1 52 52 ILE HG13 H 1 1.45 0.02 . 1 . . . . . . . . 6368 1 668 . 1 1 52 52 ILE HD11 H 1 0.70 0.02 . 1 . . . . . . . . 6368 1 669 . 1 1 52 52 ILE HD12 H 1 0.70 0.02 . 1 . . . . . . . . 6368 1 670 . 1 1 52 52 ILE HD13 H 1 0.70 0.02 . 1 . . . . . . . . 6368 1 671 . 1 1 52 52 ILE CD1 C 13 11.8 0.5 . 1 . . . . . . . . 6368 1 672 . 1 1 53 53 GLN N N 15 129.3 0.5 . 1 . . . . . . . . 6368 1 673 . 1 1 53 53 GLN H H 1 8.81 0.02 . 1 . . . . . . . . 6368 1 674 . 1 1 53 53 GLN CA C 13 57.0 0.5 . 1 . . . . . . . . 6368 1 675 . 1 1 53 53 GLN HA H 1 4.34 0.02 . 1 . . . . . . . . 6368 1 676 . 1 1 53 53 GLN CB C 13 30.5 0.5 . 1 . . . . . . . . 6368 1 677 . 1 1 53 53 GLN HB2 H 1 1.93 0.02 . 1 . . . . . . . . 6368 1 678 . 1 1 53 53 GLN HB3 H 1 2.04 0.02 . 1 . . . . . . . . 6368 1 679 . 1 1 53 53 GLN CG C 13 33.3 0.5 . 1 . . . . . . . . 6368 1 680 . 1 1 53 53 GLN HG2 H 1 2.43 0.02 . 2 . . . . . . . . 6368 1 681 . 1 1 53 53 GLN HG3 H 1 2.72 0.02 . 2 . . . . . . . . 6368 1 682 . 1 1 53 53 GLN NE2 N 15 111.9 0.5 . 1 . . . . . . . . 6368 1 683 . 1 1 53 53 GLN HE21 H 1 7.52 0.02 . 1 . . . . . . . . 6368 1 684 . 1 1 53 53 GLN HE22 H 1 6.86 0.02 . 1 . . . . . . . . 6368 1 685 . 1 1 54 54 ARG N N 15 114.6 0.5 . 1 . . . . . . . . 6368 1 686 . 1 1 54 54 ARG H H 1 7.75 0.02 . 1 . . . . . . . . 6368 1 687 . 1 1 54 54 ARG CA C 13 55.1 0.5 . 1 . . . . . . . . 6368 1 688 . 1 1 54 54 ARG HA H 1 4.72 0.02 . 1 . . . . . . . . 6368 1 689 . 1 1 54 54 ARG CB C 13 33.2 0.5 . 1 . . . . . . . . 6368 1 690 . 1 1 54 54 ARG HB2 H 1 1.81 0.02 . 1 . . . . . . . . 6368 1 691 . 1 1 54 54 ARG HB3 H 1 1.90 0.02 . 1 . . . . . . . . 6368 1 692 . 1 1 54 54 ARG CG C 13 27.4 0.5 . 1 . . . . . . . . 6368 1 693 . 1 1 54 54 ARG HG2 H 1 1.51 0.02 . 2 . . . . . . . . 6368 1 694 . 1 1 54 54 ARG HG3 H 1 1.61 0.02 . 2 . . . . . . . . 6368 1 695 . 1 1 54 54 ARG CD C 13 43.2 0.5 . 1 . . . . . . . . 6368 1 696 . 1 1 54 54 ARG HD2 H 1 3.18 0.02 . 1 . . . . . . . . 6368 1 697 . 1 1 54 54 ARG HD3 H 1 3.18 0.02 . 1 . . . . . . . . 6368 1 698 . 1 1 54 54 ARG NE N 15 84.3 0.5 . 1 . . . . . . . . 6368 1 699 . 1 1 54 54 ARG HE H 1 7.29 0.02 . 1 . . . . . . . . 6368 1 700 . 1 1 55 55 ILE N N 15 121.6 0.5 . 1 . . . . . . . . 6368 1 701 . 1 1 55 55 ILE H H 1 8.41 0.02 . 1 . . . . . . . . 6368 1 702 . 1 1 55 55 ILE CA C 13 60.9 0.5 . 1 . . . . . . . . 6368 1 703 . 1 1 55 55 ILE HA H 1 4.53 0.02 . 1 . . . . . . . . 6368 1 704 . 1 1 55 55 ILE CB C 13 40.0 0.5 . 1 . . . . . . . . 6368 1 705 . 1 1 55 55 ILE HB H 1 1.78 0.02 . 1 . . . . . . . . 6368 1 706 . 1 1 55 55 ILE HG21 H 1 0.78 0.02 . 1 . . . . . . . . 6368 1 707 . 1 1 55 55 ILE HG22 H 1 0.78 0.02 . 1 . . . . . . . . 6368 1 708 . 1 1 55 55 ILE HG23 H 1 0.78 0.02 . 1 . . . . . . . . 6368 1 709 . 1 1 55 55 ILE CG2 C 13 17.1 0.5 . 1 . . . . . . . . 6368 1 710 . 1 1 55 55 ILE CG1 C 13 27.7 0.5 . 1 . . . . . . . . 6368 1 711 . 1 1 55 55 ILE HG12 H 1 1.02 0.02 . 1 . . . . . . . . 6368 1 712 . 1 1 55 55 ILE HG13 H 1 1.48 0.02 . 1 . . . . . . . . 6368 1 713 . 1 1 55 55 ILE HD11 H 1 0.90 0.02 . 1 . . . . . . . . 6368 1 714 . 1 1 55 55 ILE HD12 H 1 0.90 0.02 . 1 . . . . . . . . 6368 1 715 . 1 1 55 55 ILE HD13 H 1 0.90 0.02 . 1 . . . . . . . . 6368 1 716 . 1 1 55 55 ILE CD1 C 13 13.7 0.5 . 1 . . . . . . . . 6368 1 717 . 1 1 56 56 LYS N N 15 128.2 0.5 . 1 . . . . . . . . 6368 1 718 . 1 1 56 56 LYS H H 1 9.02 0.02 . 1 . . . . . . . . 6368 1 719 . 1 1 56 56 LYS CA C 13 54.6 0.5 . 1 . . . . . . . . 6368 1 720 . 1 1 56 56 LYS HA H 1 4.78 0.02 . 1 . . . . . . . . 6368 1 721 . 1 1 56 56 LYS CB C 13 34.9 0.5 . 1 . . . . . . . . 6368 1 722 . 1 1 56 56 LYS HB2 H 1 1.71 0.02 . 2 . . . . . . . . 6368 1 723 . 1 1 56 56 LYS HB3 H 1 1.87 0.02 . 2 . . . . . . . . 6368 1 724 . 1 1 56 56 LYS CG C 13 24.8 0.5 . 1 . . . . . . . . 6368 1 725 . 1 1 56 56 LYS HG2 H 1 1.38 0.02 . 2 . . . . . . . . 6368 1 726 . 1 1 56 56 LYS HG3 H 1 1.42 0.02 . 2 . . . . . . . . 6368 1 727 . 1 1 56 56 LYS CD C 13 28.8 0.5 . 1 . . . . . . . . 6368 1 728 . 1 1 56 56 LYS HD2 H 1 1.71 0.02 . 1 . . . . . . . . 6368 1 729 . 1 1 56 56 LYS HD3 H 1 1.71 0.02 . 1 . . . . . . . . 6368 1 730 . 1 1 56 56 LYS CE C 13 41.8 0.5 . 1 . . . . . . . . 6368 1 731 . 1 1 56 56 LYS HE2 H 1 2.97 0.02 . 1 . . . . . . . . 6368 1 732 . 1 1 56 56 LYS HE3 H 1 2.97 0.02 . 1 . . . . . . . . 6368 1 733 . 1 1 57 57 THR N N 15 123.4 0.5 . 1 . . . . . . . . 6368 1 734 . 1 1 57 57 THR H H 1 8.85 0.02 . 1 . . . . . . . . 6368 1 735 . 1 1 57 57 THR CA C 13 62.3 0.5 . 1 . . . . . . . . 6368 1 736 . 1 1 57 57 THR HA H 1 4.56 0.02 . 1 . . . . . . . . 6368 1 737 . 1 1 57 57 THR CB C 13 69.9 0.5 . 1 . . . . . . . . 6368 1 738 . 1 1 57 57 THR HB H 1 3.98 0.02 . 1 . . . . . . . . 6368 1 739 . 1 1 57 57 THR HG21 H 1 1.17 0.02 . 1 . . . . . . . . 6368 1 740 . 1 1 57 57 THR HG22 H 1 1.17 0.02 . 1 . . . . . . . . 6368 1 741 . 1 1 57 57 THR HG23 H 1 1.17 0.02 . 1 . . . . . . . . 6368 1 742 . 1 1 57 57 THR CG2 C 13 21.8 0.5 . 1 . . . . . . . . 6368 1 743 . 1 1 58 58 GLU N N 15 126.8 0.5 . 1 . . . . . . . . 6368 1 744 . 1 1 58 58 GLU H H 1 8.84 0.02 . 1 . . . . . . . . 6368 1 745 . 1 1 58 58 GLU CA C 13 54.8 0.5 . 1 . . . . . . . . 6368 1 746 . 1 1 58 58 GLU HA H 1 4.53 0.02 . 1 . . . . . . . . 6368 1 747 . 1 1 58 58 GLU CB C 13 30.0 0.5 . 1 . . . . . . . . 6368 1 748 . 1 1 58 58 GLU HB2 H 1 1.94 0.02 . 1 . . . . . . . . 6368 1 749 . 1 1 58 58 GLU HB3 H 1 2.05 0.02 . 1 . . . . . . . . 6368 1 750 . 1 1 58 58 GLU CG C 13 35.2 0.5 . 1 . . . . . . . . 6368 1 751 . 1 1 58 58 GLU HG2 H 1 2.22 0.02 . 2 . . . . . . . . 6368 1 752 . 1 1 58 58 GLU HG3 H 1 2.28 0.02 . 2 . . . . . . . . 6368 1 753 . 1 1 59 59 TYR N N 15 124.2 0.5 . 1 . . . . . . . . 6368 1 754 . 1 1 59 59 TYR H H 1 8.49 0.02 . 1 . . . . . . . . 6368 1 755 . 1 1 59 59 TYR CA C 13 60.3 0.5 . 1 . . . . . . . . 6368 1 756 . 1 1 59 59 TYR HA H 1 4.19 0.02 . 1 . . . . . . . . 6368 1 757 . 1 1 59 59 TYR CB C 13 37.9 0.5 . 1 . . . . . . . . 6368 1 758 . 1 1 59 59 TYR HB2 H 1 2.94 0.02 . 1 . . . . . . . . 6368 1 759 . 1 1 59 59 TYR HB3 H 1 3.07 0.02 . 1 . . . . . . . . 6368 1 760 . 1 1 59 59 TYR HD1 H 1 7.14 0.02 . 1 . . . . . . . . 6368 1 761 . 1 1 59 59 TYR HD2 H 1 7.14 0.02 . 1 . . . . . . . . 6368 1 762 . 1 1 59 59 TYR HE1 H 1 6.86 0.02 . 1 . . . . . . . . 6368 1 763 . 1 1 59 59 TYR HE2 H 1 6.86 0.02 . 1 . . . . . . . . 6368 1 764 . 1 1 59 59 TYR CD1 C 13 132.2 0.5 . 1 . . . . . . . . 6368 1 765 . 1 1 59 59 TYR CE1 C 13 117.6 0.5 . 1 . . . . . . . . 6368 1 766 . 1 1 59 59 TYR CE2 C 13 117.6 0.5 . 1 . . . . . . . . 6368 1 767 . 1 1 59 59 TYR CD2 C 13 132.2 0.5 . 1 . . . . . . . . 6368 1 768 . 1 1 60 60 GLY N N 15 113.0 0.5 . 1 . . . . . . . . 6368 1 769 . 1 1 60 60 GLY H H 1 8.56 0.02 . 1 . . . . . . . . 6368 1 770 . 1 1 60 60 GLY CA C 13 45.3 0.5 . 1 . . . . . . . . 6368 1 771 . 1 1 60 60 GLY HA2 H 1 3.91 0.02 . 2 . . . . . . . . 6368 1 772 . 1 1 60 60 GLY HA3 H 1 3.56 0.02 . 2 . . . . . . . . 6368 1 773 . 1 1 61 61 MET N N 15 116.8 0.5 . 1 . . . . . . . . 6368 1 774 . 1 1 61 61 MET H H 1 7.69 0.02 . 1 . . . . . . . . 6368 1 775 . 1 1 61 61 MET CA C 13 54.1 0.5 . 1 . . . . . . . . 6368 1 776 . 1 1 61 61 MET HA H 1 4.64 0.02 . 1 . . . . . . . . 6368 1 777 . 1 1 61 61 MET CB C 13 33.7 0.5 . 1 . . . . . . . . 6368 1 778 . 1 1 61 61 MET HB2 H 1 2.06 0.02 . 1 . . . . . . . . 6368 1 779 . 1 1 61 61 MET HB3 H 1 2.06 0.02 . 1 . . . . . . . . 6368 1 780 . 1 1 61 61 MET CG C 13 32.1 0.5 . 1 . . . . . . . . 6368 1 781 . 1 1 61 61 MET HG2 H 1 2.38 0.02 . 2 . . . . . . . . 6368 1 782 . 1 1 61 61 MET HG3 H 1 2.59 0.02 . 2 . . . . . . . . 6368 1 783 . 1 1 61 61 MET HE1 H 1 2.05 0.02 . 1 . . . . . . . . 6368 1 784 . 1 1 61 61 MET HE2 H 1 2.05 0.02 . 1 . . . . . . . . 6368 1 785 . 1 1 61 61 MET HE3 H 1 2.05 0.02 . 1 . . . . . . . . 6368 1 786 . 1 1 61 61 MET CE C 13 17.0 0.5 . 1 . . . . . . . . 6368 1 787 . 1 1 62 62 GLN N N 15 119.5 0.5 . 1 . . . . . . . . 6368 1 788 . 1 1 62 62 GLN H H 1 8.51 0.02 . 1 . . . . . . . . 6368 1 789 . 1 1 62 62 GLN CA C 13 55.1 0.5 . 1 . . . . . . . . 6368 1 790 . 1 1 62 62 GLN HA H 1 3.87 0.02 . 1 . . . . . . . . 6368 1 791 . 1 1 62 62 GLN CB C 13 26.6 0.5 . 1 . . . . . . . . 6368 1 792 . 1 1 62 62 GLN HB2 H 1 1.79 0.02 . 1 . . . . . . . . 6368 1 793 . 1 1 62 62 GLN HB3 H 1 2.23 0.02 . 1 . . . . . . . . 6368 1 794 . 1 1 62 62 GLN CG C 13 34.6 0.5 . 1 . . . . . . . . 6368 1 795 . 1 1 62 62 GLN HG2 H 1 2.13 0.02 . 2 . . . . . . . . 6368 1 796 . 1 1 62 62 GLN HG3 H 1 2.31 0.02 . 2 . . . . . . . . 6368 1 797 . 1 1 62 62 GLN NE2 N 15 111.7 0.5 . 1 . . . . . . . . 6368 1 798 . 1 1 62 62 GLN HE21 H 1 7.34 0.02 . 1 . . . . . . . . 6368 1 799 . 1 1 62 62 GLN HE22 H 1 7.19 0.02 . 1 . . . . . . . . 6368 1 800 . 1 1 63 63 GLU N N 15 114.4 0.5 . 1 . . . . . . . . 6368 1 801 . 1 1 63 63 GLU H H 1 7.12 0.02 . 1 . . . . . . . . 6368 1 802 . 1 1 63 63 GLU CA C 13 54.3 0.5 . 1 . . . . . . . . 6368 1 803 . 1 1 63 63 GLU HA H 1 5.28 0.02 . 1 . . . . . . . . 6368 1 804 . 1 1 63 63 GLU CB C 13 33.2 0.5 . 1 . . . . . . . . 6368 1 805 . 1 1 63 63 GLU HB2 H 1 1.85 0.02 . 1 . . . . . . . . 6368 1 806 . 1 1 63 63 GLU HB3 H 1 1.85 0.02 . 1 . . . . . . . . 6368 1 807 . 1 1 63 63 GLU CG C 13 35.5 0.5 . 1 . . . . . . . . 6368 1 808 . 1 1 63 63 GLU HG2 H 1 2.10 0.02 . 1 . . . . . . . . 6368 1 809 . 1 1 63 63 GLU HG3 H 1 2.10 0.02 . 1 . . . . . . . . 6368 1 810 . 1 1 64 64 SER N N 15 117.5 0.5 . 1 . . . . . . . . 6368 1 811 . 1 1 64 64 SER H H 1 9.26 0.02 . 1 . . . . . . . . 6368 1 812 . 1 1 64 64 SER CA C 13 57.2 0.5 . 1 . . . . . . . . 6368 1 813 . 1 1 64 64 SER HA H 1 5.31 0.02 . 1 . . . . . . . . 6368 1 814 . 1 1 64 64 SER CB C 13 65.9 0.5 . 1 . . . . . . . . 6368 1 815 . 1 1 64 64 SER HB2 H 1 3.42 0.02 . 1 . . . . . . . . 6368 1 816 . 1 1 64 64 SER HB3 H 1 3.79 0.02 . 1 . . . . . . . . 6368 1 817 . 1 1 65 65 LYS N N 15 123.0 0.5 . 1 . . . . . . . . 6368 1 818 . 1 1 65 65 LYS H H 1 8.74 0.02 . 1 . . . . . . . . 6368 1 819 . 1 1 65 65 LYS CA C 13 55.0 0.5 . 1 . . . . . . . . 6368 1 820 . 1 1 65 65 LYS HA H 1 4.94 0.02 . 1 . . . . . . . . 6368 1 821 . 1 1 65 65 LYS CB C 13 34.6 0.5 . 1 . . . . . . . . 6368 1 822 . 1 1 65 65 LYS HB2 H 1 1.66 0.02 . 1 . . . . . . . . 6368 1 823 . 1 1 65 65 LYS HB3 H 1 1.78 0.02 . 1 . . . . . . . . 6368 1 824 . 1 1 65 65 LYS CG C 13 25.2 0.5 . 1 . . . . . . . . 6368 1 825 . 1 1 65 65 LYS HG2 H 1 1.29 0.02 . 2 . . . . . . . . 6368 1 826 . 1 1 65 65 LYS HG3 H 1 1.40 0.02 . 2 . . . . . . . . 6368 1 827 . 1 1 65 65 LYS CD C 13 29.2 0.5 . 1 . . . . . . . . 6368 1 828 . 1 1 65 65 LYS HD2 H 1 1.60 0.02 . 1 . . . . . . . . 6368 1 829 . 1 1 65 65 LYS HD3 H 1 1.60 0.02 . 1 . . . . . . . . 6368 1 830 . 1 1 65 65 LYS CE C 13 41.8 0.5 . 1 . . . . . . . . 6368 1 831 . 1 1 65 65 LYS HE2 H 1 2.86 0.02 . 1 . . . . . . . . 6368 1 832 . 1 1 65 65 LYS HE3 H 1 2.86 0.02 . 1 . . . . . . . . 6368 1 833 . 1 1 66 66 GLY N N 15 110.8 0.5 . 1 . . . . . . . . 6368 1 834 . 1 1 66 66 GLY H H 1 8.37 0.02 . 1 . . . . . . . . 6368 1 835 . 1 1 66 66 GLY CA C 13 44.3 0.5 . 1 . . . . . . . . 6368 1 836 . 1 1 66 66 GLY HA2 H 1 4.68 0.02 . 1 . . . . . . . . 6368 1 837 . 1 1 66 66 GLY HA3 H 1 2.58 0.02 . 1 . . . . . . . . 6368 1 838 . 1 1 67 67 TYR N N 15 120.6 0.5 . 1 . . . . . . . . 6368 1 839 . 1 1 67 67 TYR H H 1 8.18 0.02 . 1 . . . . . . . . 6368 1 840 . 1 1 67 67 TYR CA C 13 55.6 0.5 . 1 . . . . . . . . 6368 1 841 . 1 1 67 67 TYR HA H 1 5.74 0.02 . 1 . . . . . . . . 6368 1 842 . 1 1 67 67 TYR CB C 13 42.2 0.5 . 1 . . . . . . . . 6368 1 843 . 1 1 67 67 TYR HB2 H 1 2.68 0.02 . 1 . . . . . . . . 6368 1 844 . 1 1 67 67 TYR HB3 H 1 2.99 0.02 . 1 . . . . . . . . 6368 1 845 . 1 1 67 67 TYR HD1 H 1 7.06 0.02 . 1 . . . . . . . . 6368 1 846 . 1 1 67 67 TYR HD2 H 1 7.06 0.02 . 1 . . . . . . . . 6368 1 847 . 1 1 67 67 TYR HE1 H 1 6.62 0.02 . 1 . . . . . . . . 6368 1 848 . 1 1 67 67 TYR HE2 H 1 6.62 0.02 . 1 . . . . . . . . 6368 1 849 . 1 1 67 67 TYR CD1 C 13 132.7 0.5 . 1 . . . . . . . . 6368 1 850 . 1 1 67 67 TYR CE1 C 13 117.1 0.5 . 1 . . . . . . . . 6368 1 851 . 1 1 67 67 TYR CE2 C 13 117.1 0.5 . 1 . . . . . . . . 6368 1 852 . 1 1 67 67 TYR CD2 C 13 132.7 0.5 . 1 . . . . . . . . 6368 1 853 . 1 1 68 68 ALA N N 15 128.7 0.5 . 1 . . . . . . . . 6368 1 854 . 1 1 68 68 ALA H H 1 9.51 0.02 . 1 . . . . . . . . 6368 1 855 . 1 1 68 68 ALA CA C 13 49.3 0.5 . 1 . . . . . . . . 6368 1 856 . 1 1 68 68 ALA HA H 1 5.34 0.02 . 1 . . . . . . . . 6368 1 857 . 1 1 68 68 ALA HB1 H 1 1.29 0.02 . 1 . . . . . . . . 6368 1 858 . 1 1 68 68 ALA HB2 H 1 1.29 0.02 . 1 . . . . . . . . 6368 1 859 . 1 1 68 68 ALA HB3 H 1 1.29 0.02 . 1 . . . . . . . . 6368 1 860 . 1 1 68 68 ALA CB C 13 24.8 0.5 . 1 . . . . . . . . 6368 1 861 . 1 1 69 69 LYS N N 15 117.8 0.5 . 1 . . . . . . . . 6368 1 862 . 1 1 69 69 LYS H H 1 8.94 0.02 . 1 . . . . . . . . 6368 1 863 . 1 1 69 69 LYS CA C 13 53.5 0.5 . 1 . . . . . . . . 6368 1 864 . 1 1 69 69 LYS HA H 1 5.05 0.02 . 1 . . . . . . . . 6368 1 865 . 1 1 69 69 LYS CB C 13 36.8 0.5 . 1 . . . . . . . . 6368 1 866 . 1 1 69 69 LYS HB2 H 1 1.23 0.02 . 1 . . . . . . . . 6368 1 867 . 1 1 69 69 LYS HB3 H 1 1.48 0.02 . 1 . . . . . . . . 6368 1 868 . 1 1 69 69 LYS CG C 13 24.4 0.5 . 1 . . . . . . . . 6368 1 869 . 1 1 69 69 LYS HG2 H 1 0.89 0.02 . 2 . . . . . . . . 6368 1 870 . 1 1 69 69 LYS HG3 H 1 1.37 0.02 . 2 . . . . . . . . 6368 1 871 . 1 1 69 69 LYS CD C 13 28.7 0.5 . 1 . . . . . . . . 6368 1 872 . 1 1 69 69 LYS HD2 H 1 1.42 0.02 . 1 . . . . . . . . 6368 1 873 . 1 1 69 69 LYS HD3 H 1 1.42 0.02 . 1 . . . . . . . . 6368 1 874 . 1 1 69 69 LYS CE C 13 41.2 0.5 . 1 . . . . . . . . 6368 1 875 . 1 1 69 69 LYS HE2 H 1 2.72 0.02 . 1 . . . . . . . . 6368 1 876 . 1 1 69 69 LYS HE3 H 1 2.72 0.02 . 1 . . . . . . . . 6368 1 877 . 1 1 70 70 LEU N N 15 123.0 0.5 . 1 . . . . . . . . 6368 1 878 . 1 1 70 70 LEU H H 1 8.86 0.02 . 1 . . . . . . . . 6368 1 879 . 1 1 70 70 LEU CA C 13 52.4 0.5 . 1 . . . . . . . . 6368 1 880 . 1 1 70 70 LEU HA H 1 5.34 0.02 . 1 . . . . . . . . 6368 1 881 . 1 1 70 70 LEU CB C 13 44.9 0.5 . 1 . . . . . . . . 6368 1 882 . 1 1 70 70 LEU HB2 H 1 0.93 0.02 . 1 . . . . . . . . 6368 1 883 . 1 1 70 70 LEU HB3 H 1 1.59 0.02 . 1 . . . . . . . . 6368 1 884 . 1 1 70 70 LEU CG C 13 27.3 0.5 . 1 . . . . . . . . 6368 1 885 . 1 1 70 70 LEU HG H 1 1.38 0.02 . 1 . . . . . . . . 6368 1 886 . 1 1 70 70 LEU HD11 H 1 0.76 0.02 . 1 . . . . . . . . 6368 1 887 . 1 1 70 70 LEU HD12 H 1 0.76 0.02 . 1 . . . . . . . . 6368 1 888 . 1 1 70 70 LEU HD13 H 1 0.76 0.02 . 1 . . . . . . . . 6368 1 889 . 1 1 70 70 LEU HD21 H 1 0.77 0.02 . 1 . . . . . . . . 6368 1 890 . 1 1 70 70 LEU HD22 H 1 0.77 0.02 . 1 . . . . . . . . 6368 1 891 . 1 1 70 70 LEU HD23 H 1 0.77 0.02 . 1 . . . . . . . . 6368 1 892 . 1 1 70 70 LEU CD1 C 13 26.6 0.5 . 1 . . . . . . . . 6368 1 893 . 1 1 70 70 LEU CD2 C 13 23.4 0.5 . 1 . . . . . . . . 6368 1 894 . 1 1 71 71 TYR N N 15 129.1 0.5 . 1 . . . . . . . . 6368 1 895 . 1 1 71 71 TYR H H 1 9.23 0.02 . 1 . . . . . . . . 6368 1 896 . 1 1 71 71 TYR CA C 13 59.6 0.5 . 1 . . . . . . . . 6368 1 897 . 1 1 71 71 TYR HA H 1 4.62 0.02 . 1 . . . . . . . . 6368 1 898 . 1 1 71 71 TYR CB C 13 40.7 0.5 . 1 . . . . . . . . 6368 1 899 . 1 1 71 71 TYR HB2 H 1 2.94 0.02 . 1 . . . . . . . . 6368 1 900 . 1 1 71 71 TYR HB3 H 1 3.29 0.02 . 1 . . . . . . . . 6368 1 901 . 1 1 71 71 TYR HD1 H 1 7.29 0.02 . 1 . . . . . . . . 6368 1 902 . 1 1 71 71 TYR HD2 H 1 7.29 0.02 . 1 . . . . . . . . 6368 1 903 . 1 1 71 71 TYR HE1 H 1 6.73 0.02 . 1 . . . . . . . . 6368 1 904 . 1 1 71 71 TYR HE2 H 1 6.73 0.02 . 1 . . . . . . . . 6368 1 905 . 1 1 71 71 TYR CD1 C 13 133.0 0.5 . 1 . . . . . . . . 6368 1 906 . 1 1 71 71 TYR CE1 C 13 118.6 0.5 . 1 . . . . . . . . 6368 1 907 . 1 1 71 71 TYR CE2 C 13 118.6 0.5 . 1 . . . . . . . . 6368 1 908 . 1 1 71 71 TYR CD2 C 13 133.0 0.5 . 1 . . . . . . . . 6368 1 909 . 1 1 72 72 GLU N N 15 115.2 0.5 . 1 . . . . . . . . 6368 1 910 . 1 1 72 72 GLU H H 1 8.67 0.02 . 1 . . . . . . . . 6368 1 911 . 1 1 72 72 GLU CA C 13 56.7 0.5 . 1 . . . . . . . . 6368 1 912 . 1 1 72 72 GLU HA H 1 4.31 0.02 . 1 . . . . . . . . 6368 1 913 . 1 1 72 72 GLU CB C 13 31.0 0.5 . 1 . . . . . . . . 6368 1 914 . 1 1 72 72 GLU HB2 H 1 1.99 0.02 . 1 . . . . . . . . 6368 1 915 . 1 1 72 72 GLU HB3 H 1 2.13 0.02 . 1 . . . . . . . . 6368 1 916 . 1 1 72 72 GLU CG C 13 35.9 0.5 . 1 . . . . . . . . 6368 1 917 . 1 1 72 72 GLU HG2 H 1 2.26 0.02 . 2 . . . . . . . . 6368 1 918 . 1 1 72 72 GLU HG3 H 1 2.31 0.02 . 2 . . . . . . . . 6368 1 919 . 1 1 73 73 ASP N N 15 115.0 0.5 . 1 . . . . . . . . 6368 1 920 . 1 1 73 73 ASP H H 1 7.64 0.02 . 1 . . . . . . . . 6368 1 921 . 1 1 73 73 ASP CA C 13 53.2 0.5 . 1 . . . . . . . . 6368 1 922 . 1 1 73 73 ASP HA H 1 4.76 0.02 . 1 . . . . . . . . 6368 1 923 . 1 1 73 73 ASP CB C 13 44.5 0.5 . 1 . . . . . . . . 6368 1 924 . 1 1 73 73 ASP HB2 H 1 2.80 0.02 . 1 . . . . . . . . 6368 1 925 . 1 1 73 73 ASP HB3 H 1 2.74 0.02 . 1 . . . . . . . . 6368 1 926 . 1 1 74 74 ALA N N 15 125.8 0.5 . 1 . . . . . . . . 6368 1 927 . 1 1 74 74 ALA H H 1 9.10 0.02 . 1 . . . . . . . . 6368 1 928 . 1 1 74 74 ALA CA C 13 54.7 0.5 . 1 . . . . . . . . 6368 1 929 . 1 1 74 74 ALA HA H 1 3.82 0.02 . 1 . . . . . . . . 6368 1 930 . 1 1 74 74 ALA HB1 H 1 1.38 0.02 . 1 . . . . . . . . 6368 1 931 . 1 1 74 74 ALA HB2 H 1 1.38 0.02 . 1 . . . . . . . . 6368 1 932 . 1 1 74 74 ALA HB3 H 1 1.38 0.02 . 1 . . . . . . . . 6368 1 933 . 1 1 74 74 ALA CB C 13 18.4 0.5 . 1 . . . . . . . . 6368 1 934 . 1 1 75 75 ASP N N 15 119.7 0.5 . 1 . . . . . . . . 6368 1 935 . 1 1 75 75 ASP H H 1 8.32 0.02 . 1 . . . . . . . . 6368 1 936 . 1 1 75 75 ASP CA C 13 57.5 0.5 . 1 . . . . . . . . 6368 1 937 . 1 1 75 75 ASP HA H 1 4.40 0.02 . 1 . . . . . . . . 6368 1 938 . 1 1 75 75 ASP CB C 13 40.0 0.5 . 1 . . . . . . . . 6368 1 939 . 1 1 75 75 ASP HB2 H 1 2.61 0.02 . 2 . . . . . . . . 6368 1 940 . 1 1 75 75 ASP HB3 H 1 2.77 0.02 . 2 . . . . . . . . 6368 1 941 . 1 1 76 76 ARG N N 15 122.1 0.5 . 1 . . . . . . . . 6368 1 942 . 1 1 76 76 ARG H H 1 8.63 0.02 . 1 . . . . . . . . 6368 1 943 . 1 1 76 76 ARG CA C 13 57.2 0.5 . 1 . . . . . . . . 6368 1 944 . 1 1 76 76 ARG HA H 1 4.06 0.02 . 1 . . . . . . . . 6368 1 945 . 1 1 76 76 ARG CB C 13 29.2 0.5 . 1 . . . . . . . . 6368 1 946 . 1 1 76 76 ARG HB2 H 1 2.00 0.02 . 1 . . . . . . . . 6368 1 947 . 1 1 76 76 ARG HB3 H 1 2.16 0.02 . 1 . . . . . . . . 6368 1 948 . 1 1 76 76 ARG CG C 13 26.6 0.5 . 1 . . . . . . . . 6368 1 949 . 1 1 76 76 ARG HG2 H 1 1.74 0.02 . 2 . . . . . . . . 6368 1 950 . 1 1 76 76 ARG HG3 H 1 2.01 0.02 . 2 . . . . . . . . 6368 1 951 . 1 1 76 76 ARG CD C 13 42.4 0.5 . 1 . . . . . . . . 6368 1 952 . 1 1 76 76 ARG HD2 H 1 3.13 0.02 . 2 . . . . . . . . 6368 1 953 . 1 1 76 76 ARG HD3 H 1 3.43 0.02 . 2 . . . . . . . . 6368 1 954 . 1 1 76 76 ARG NE N 15 85.3 0.5 . 1 . . . . . . . . 6368 1 955 . 1 1 76 76 ARG HE H 1 7.49 0.02 . 1 . . . . . . . . 6368 1 956 . 1 1 77 77 MET N N 15 117.1 0.5 . 1 . . . . . . . . 6368 1 957 . 1 1 77 77 MET H H 1 7.62 0.02 . 1 . . . . . . . . 6368 1 958 . 1 1 77 77 MET CA C 13 58.9 0.5 . 1 . . . . . . . . 6368 1 959 . 1 1 77 77 MET HA H 1 2.63 0.02 . 1 . . . . . . . . 6368 1 960 . 1 1 77 77 MET CB C 13 32.4 0.5 . 1 . . . . . . . . 6368 1 961 . 1 1 77 77 MET HB2 H 1 1.31 0.02 . 1 . . . . . . . . 6368 1 962 . 1 1 77 77 MET HB3 H 1 1.99 0.02 . 1 . . . . . . . . 6368 1 963 . 1 1 77 77 MET CG C 13 30.9 0.5 . 1 . . . . . . . . 6368 1 964 . 1 1 77 77 MET HG2 H 1 1.40 0.02 . 2 . . . . . . . . 6368 1 965 . 1 1 77 77 MET HG3 H 1 1.72 0.02 . 2 . . . . . . . . 6368 1 966 . 1 1 77 77 MET HE1 H 1 1.96 0.02 . 1 . . . . . . . . 6368 1 967 . 1 1 77 77 MET HE2 H 1 1.96 0.02 . 1 . . . . . . . . 6368 1 968 . 1 1 77 77 MET HE3 H 1 1.96 0.02 . 1 . . . . . . . . 6368 1 969 . 1 1 77 77 MET CE C 13 17.6 0.5 . 1 . . . . . . . . 6368 1 970 . 1 1 78 78 LYS N N 15 116.3 0.5 . 1 . . . . . . . . 6368 1 971 . 1 1 78 78 LYS H H 1 7.53 0.02 . 1 . . . . . . . . 6368 1 972 . 1 1 78 78 LYS CA C 13 59.1 0.5 . 1 . . . . . . . . 6368 1 973 . 1 1 78 78 LYS HA H 1 3.80 0.02 . 1 . . . . . . . . 6368 1 974 . 1 1 78 78 LYS CB C 13 32.0 0.5 . 1 . . . . . . . . 6368 1 975 . 1 1 78 78 LYS HB2 H 1 1.82 0.02 . 1 . . . . . . . . 6368 1 976 . 1 1 78 78 LYS HB3 H 1 1.82 0.02 . 1 . . . . . . . . 6368 1 977 . 1 1 78 78 LYS CG C 13 25.1 0.5 . 1 . . . . . . . . 6368 1 978 . 1 1 78 78 LYS HG2 H 1 1.32 0.02 . 2 . . . . . . . . 6368 1 979 . 1 1 78 78 LYS HG3 H 1 1.51 0.02 . 2 . . . . . . . . 6368 1 980 . 1 1 78 78 LYS CD C 13 29.2 0.5 . 1 . . . . . . . . 6368 1 981 . 1 1 78 78 LYS HD2 H 1 1.64 0.02 . 1 . . . . . . . . 6368 1 982 . 1 1 78 78 LYS HD3 H 1 1.64 0.02 . 1 . . . . . . . . 6368 1 983 . 1 1 78 78 LYS CE C 13 41.6 0.5 . 1 . . . . . . . . 6368 1 984 . 1 1 78 78 LYS HE2 H 1 2.89 0.02 . 1 . . . . . . . . 6368 1 985 . 1 1 78 78 LYS HE3 H 1 2.89 0.02 . 1 . . . . . . . . 6368 1 986 . 1 1 79 79 GLN N N 15 116.7 0.5 . 1 . . . . . . . . 6368 1 987 . 1 1 79 79 GLN H H 1 7.55 0.02 . 1 . . . . . . . . 6368 1 988 . 1 1 79 79 GLN CA C 13 58.1 0.5 . 1 . . . . . . . . 6368 1 989 . 1 1 79 79 GLN HA H 1 4.02 0.02 . 1 . . . . . . . . 6368 1 990 . 1 1 79 79 GLN CB C 13 28.9 0.5 . 1 . . . . . . . . 6368 1 991 . 1 1 79 79 GLN HB2 H 1 2.19 0.02 . 2 . . . . . . . . 6368 1 992 . 1 1 79 79 GLN HB3 H 1 2.31 0.02 . 2 . . . . . . . . 6368 1 993 . 1 1 79 79 GLN CG C 13 33.2 0.5 . 1 . . . . . . . . 6368 1 994 . 1 1 79 79 GLN HG2 H 1 2.30 0.02 . 2 . . . . . . . . 6368 1 995 . 1 1 79 79 GLN HG3 H 1 2.53 0.02 . 2 . . . . . . . . 6368 1 996 . 1 1 79 79 GLN NE2 N 15 111.7 0.5 . 1 . . . . . . . . 6368 1 997 . 1 1 79 79 GLN HE21 H 1 7.47 0.02 . 2 . . . . . . . . 6368 1 998 . 1 1 79 79 GLN HE22 H 1 6.80 0.02 . 2 . . . . . . . . 6368 1 999 . 1 1 80 80 VAL N N 15 118.2 0.5 . 1 . . . . . . . . 6368 1 1000 . 1 1 80 80 VAL H H 1 8.21 0.02 . 1 . . . . . . . . 6368 1 1001 . 1 1 80 80 VAL CA C 13 65.3 0.5 . 1 . . . . . . . . 6368 1 1002 . 1 1 80 80 VAL HA H 1 3.77 0.02 . 1 . . . . . . . . 6368 1 1003 . 1 1 80 80 VAL CB C 13 32.8 0.5 . 1 . . . . . . . . 6368 1 1004 . 1 1 80 80 VAL HB H 1 2.16 0.02 . 1 . . . . . . . . 6368 1 1005 . 1 1 80 80 VAL HG11 H 1 1.16 0.02 . 1 . . . . . . . . 6368 1 1006 . 1 1 80 80 VAL HG12 H 1 1.16 0.02 . 1 . . . . . . . . 6368 1 1007 . 1 1 80 80 VAL HG13 H 1 1.16 0.02 . 1 . . . . . . . . 6368 1 1008 . 1 1 80 80 VAL HG21 H 1 1.19 0.02 . 1 . . . . . . . . 6368 1 1009 . 1 1 80 80 VAL HG22 H 1 1.19 0.02 . 1 . . . . . . . . 6368 1 1010 . 1 1 80 80 VAL HG23 H 1 1.19 0.02 . 1 . . . . . . . . 6368 1 1011 . 1 1 80 80 VAL CG1 C 13 24.3 0.5 . 1 . . . . . . . . 6368 1 1012 . 1 1 80 80 VAL CG2 C 13 22.5 0.5 . 1 . . . . . . . . 6368 1 1013 . 1 1 81 81 GLU N N 15 116.9 0.5 . 1 . . . . . . . . 6368 1 1014 . 1 1 81 81 GLU H H 1 8.59 0.02 . 1 . . . . . . . . 6368 1 1015 . 1 1 81 81 GLU CA C 13 57.2 0.5 . 1 . . . . . . . . 6368 1 1016 . 1 1 81 81 GLU HA H 1 4.07 0.02 . 1 . . . . . . . . 6368 1 1017 . 1 1 81 81 GLU CB C 13 29.0 0.5 . 1 . . . . . . . . 6368 1 1018 . 1 1 81 81 GLU HB2 H 1 1.92 0.02 . 2 . . . . . . . . 6368 1 1019 . 1 1 81 81 GLU HB3 H 1 2.19 0.02 . 2 . . . . . . . . 6368 1 1020 . 1 1 81 81 GLU CG C 13 36.2 0.5 . 1 . . . . . . . . 6368 1 1021 . 1 1 81 81 GLU HG2 H 1 2.26 0.02 . 1 . . . . . . . . 6368 1 1022 . 1 1 81 81 GLU HG3 H 1 2.26 0.02 . 1 . . . . . . . . 6368 1 1023 . 1 1 82 82 GLN N N 15 117.1 0.5 . 1 . . . . . . . . 6368 1 1024 . 1 1 82 82 GLN H H 1 7.77 0.02 . 1 . . . . . . . . 6368 1 1025 . 1 1 82 82 GLN CA C 13 56.8 0.5 . 1 . . . . . . . . 6368 1 1026 . 1 1 82 82 GLN HA H 1 4.24 0.02 . 1 . . . . . . . . 6368 1 1027 . 1 1 82 82 GLN CB C 13 28.7 0.5 . 1 . . . . . . . . 6368 1 1028 . 1 1 82 82 GLN HB2 H 1 2.12 0.02 . 1 . . . . . . . . 6368 1 1029 . 1 1 82 82 GLN HB3 H 1 2.12 0.02 . 1 . . . . . . . . 6368 1 1030 . 1 1 82 82 GLN CG C 13 33.9 0.5 . 1 . . . . . . . . 6368 1 1031 . 1 1 82 82 GLN HG2 H 1 2.39 0.02 . 1 . . . . . . . . 6368 1 1032 . 1 1 82 82 GLN HG3 H 1 2.39 0.02 . 1 . . . . . . . . 6368 1 1033 . 1 1 82 82 GLN NE2 N 15 111.4 0.5 . 1 . . . . . . . . 6368 1 1034 . 1 1 82 82 GLN HE21 H 1 7.47 0.02 . 1 . . . . . . . . 6368 1 1035 . 1 1 82 82 GLN HE22 H 1 6.83 0.02 . 1 . . . . . . . . 6368 1 1036 . 1 1 83 83 GLU N N 15 119.4 0.5 . 1 . . . . . . . . 6368 1 1037 . 1 1 83 83 GLU H H 1 7.96 0.02 . 1 . . . . . . . . 6368 1 1038 . 1 1 83 83 GLU CA C 13 57.7 0.5 . 1 . . . . . . . . 6368 1 1039 . 1 1 83 83 GLU HA H 1 4.10 0.02 . 1 . . . . . . . . 6368 1 1040 . 1 1 83 83 GLU CB C 13 29.1 0.5 . 1 . . . . . . . . 6368 1 1041 . 1 1 83 83 GLU HB2 H 1 1.96 0.02 . 2 . . . . . . . . 6368 1 1042 . 1 1 83 83 GLU HB3 H 1 2.01 0.02 . 2 . . . . . . . . 6368 1 1043 . 1 1 83 83 GLU CG C 13 35.5 0.5 . 1 . . . . . . . . 6368 1 1044 . 1 1 83 83 GLU HG2 H 1 2.15 0.02 . 2 . . . . . . . . 6368 1 1045 . 1 1 83 83 GLU HG3 H 1 2.28 0.02 . 2 . . . . . . . . 6368 1 1046 . 1 1 84 84 TYR N N 15 118.4 0.5 . 1 . . . . . . . . 6368 1 1047 . 1 1 84 84 TYR H H 1 7.93 0.02 . 1 . . . . . . . . 6368 1 1048 . 1 1 84 84 TYR CA C 13 58.7 0.5 . 1 . . . . . . . . 6368 1 1049 . 1 1 84 84 TYR HA H 1 4.46 0.02 . 1 . . . . . . . . 6368 1 1050 . 1 1 84 84 TYR CB C 13 38.2 0.5 . 1 . . . . . . . . 6368 1 1051 . 1 1 84 84 TYR HB2 H 1 3.04 0.02 . 1 . . . . . . . . 6368 1 1052 . 1 1 84 84 TYR HB3 H 1 3.13 0.02 . 1 . . . . . . . . 6368 1 1053 . 1 1 84 84 TYR HD1 H 1 7.16 0.02 . 1 . . . . . . . . 6368 1 1054 . 1 1 84 84 TYR HD2 H 1 7.16 0.02 . 1 . . . . . . . . 6368 1 1055 . 1 1 84 84 TYR HE1 H 1 6.80 0.02 . 1 . . . . . . . . 6368 1 1056 . 1 1 84 84 TYR HE2 H 1 6.80 0.02 . 1 . . . . . . . . 6368 1 1057 . 1 1 84 84 TYR CD1 C 13 132.0 0.5 . 1 . . . . . . . . 6368 1 1058 . 1 1 84 84 TYR CE1 C 13 117.7 0.5 . 1 . . . . . . . . 6368 1 1059 . 1 1 84 84 TYR CE2 C 13 117.7 0.5 . 1 . . . . . . . . 6368 1 1060 . 1 1 84 84 TYR CD2 C 13 132.0 0.5 . 1 . . . . . . . . 6368 1 1061 . 1 1 85 85 VAL N N 15 119.9 0.5 . 1 . . . . . . . . 6368 1 1062 . 1 1 85 85 VAL H H 1 7.61 0.02 . 1 . . . . . . . . 6368 1 1063 . 1 1 85 85 VAL CA C 13 63.2 0.5 . 1 . . . . . . . . 6368 1 1064 . 1 1 85 85 VAL HA H 1 3.88 0.02 . 1 . . . . . . . . 6368 1 1065 . 1 1 85 85 VAL CB C 13 32.4 0.5 . 1 . . . . . . . . 6368 1 1066 . 1 1 85 85 VAL HB H 1 2.08 0.02 . 1 . . . . . . . . 6368 1 1067 . 1 1 85 85 VAL HG11 H 1 0.90 0.02 . 2 . . . . . . . . 6368 1 1068 . 1 1 85 85 VAL HG12 H 1 0.90 0.02 . 2 . . . . . . . . 6368 1 1069 . 1 1 85 85 VAL HG13 H 1 0.90 0.02 . 2 . . . . . . . . 6368 1 1070 . 1 1 85 85 VAL HG21 H 1 0.95 0.02 . 2 . . . . . . . . 6368 1 1071 . 1 1 85 85 VAL HG22 H 1 0.95 0.02 . 2 . . . . . . . . 6368 1 1072 . 1 1 85 85 VAL HG23 H 1 0.95 0.02 . 2 . . . . . . . . 6368 1 1073 . 1 1 85 85 VAL CG1 C 13 21.0 0.5 . 2 . . . . . . . . 6368 1 1074 . 1 1 85 85 VAL CG2 C 13 21.1 0.5 . 2 . . . . . . . . 6368 1 1075 . 1 1 86 86 LEU N N 15 123.1 0.5 . 1 . . . . . . . . 6368 1 1076 . 1 1 86 86 LEU H H 1 7.99 0.02 . 1 . . . . . . . . 6368 1 1077 . 1 1 86 86 LEU CA C 13 55.5 0.5 . 1 . . . . . . . . 6368 1 1078 . 1 1 86 86 LEU HA H 1 4.24 0.02 . 1 . . . . . . . . 6368 1 1079 . 1 1 86 86 LEU CB C 13 42.0 0.5 . 1 . . . . . . . . 6368 1 1080 . 1 1 86 86 LEU HB2 H 1 1.56 0.02 . 2 . . . . . . . . 6368 1 1081 . 1 1 86 86 LEU HB3 H 1 1.69 0.02 . 2 . . . . . . . . 6368 1 1082 . 1 1 86 86 LEU CG C 13 27.0 0.5 . 1 . . . . . . . . 6368 1 1083 . 1 1 86 86 LEU HG H 1 1.61 0.02 . 1 . . . . . . . . 6368 1 1084 . 1 1 86 86 LEU HD11 H 1 0.85 0.02 . 2 . . . . . . . . 6368 1 1085 . 1 1 86 86 LEU HD12 H 1 0.85 0.02 . 2 . . . . . . . . 6368 1 1086 . 1 1 86 86 LEU HD13 H 1 0.85 0.02 . 2 . . . . . . . . 6368 1 1087 . 1 1 86 86 LEU HD21 H 1 0.91 0.02 . 2 . . . . . . . . 6368 1 1088 . 1 1 86 86 LEU HD22 H 1 0.91 0.02 . 2 . . . . . . . . 6368 1 1089 . 1 1 86 86 LEU HD23 H 1 0.91 0.02 . 2 . . . . . . . . 6368 1 1090 . 1 1 86 86 LEU CD1 C 13 23.4 0.5 . 2 . . . . . . . . 6368 1 1091 . 1 1 86 86 LEU CD2 C 13 24.8 0.5 . 2 . . . . . . . . 6368 1 1092 . 1 1 87 87 LYS N N 15 121.0 0.5 . 1 . . . . . . . . 6368 1 1093 . 1 1 87 87 LYS H H 1 8.08 0.02 . 1 . . . . . . . . 6368 1 1094 . 1 1 87 87 LYS CA C 13 56.4 0.5 . 1 . . . . . . . . 6368 1 1095 . 1 1 87 87 LYS HA H 1 4.25 0.02 . 1 . . . . . . . . 6368 1 1096 . 1 1 87 87 LYS CB C 13 32.5 0.5 . 1 . . . . . . . . 6368 1 1097 . 1 1 87 87 LYS HB2 H 1 1.77 0.02 . 1 . . . . . . . . 6368 1 1098 . 1 1 87 87 LYS HB3 H 1 1.83 0.02 . 1 . . . . . . . . 6368 1 1099 . 1 1 87 87 LYS CG C 13 24.8 0.5 . 1 . . . . . . . . 6368 1 1100 . 1 1 87 87 LYS HG2 H 1 1.38 0.02 . 2 . . . . . . . . 6368 1 1101 . 1 1 87 87 LYS HG3 H 1 1.46 0.02 . 2 . . . . . . . . 6368 1 1102 . 1 1 87 87 LYS CD C 13 28.8 0.5 . 1 . . . . . . . . 6368 1 1103 . 1 1 87 87 LYS HD2 H 1 1.65 0.02 . 1 . . . . . . . . 6368 1 1104 . 1 1 87 87 LYS HD3 H 1 1.65 0.02 . 1 . . . . . . . . 6368 1 1105 . 1 1 87 87 LYS CE C 13 41.6 0.5 . 1 . . . . . . . . 6368 1 1106 . 1 1 87 87 LYS HE2 H 1 2.96 0.02 . 1 . . . . . . . . 6368 1 1107 . 1 1 87 87 LYS HE3 H 1 2.96 0.02 . 1 . . . . . . . . 6368 1 1108 . 1 1 88 88 ARG N N 15 121.1 0.5 . 1 . . . . . . . . 6368 1 1109 . 1 1 88 88 ARG H H 1 8.13 0.02 . 1 . . . . . . . . 6368 1 1110 . 1 1 88 88 ARG CA C 13 56.5 0.5 . 1 . . . . . . . . 6368 1 1111 . 1 1 88 88 ARG HA H 1 4.24 0.02 . 1 . . . . . . . . 6368 1 1112 . 1 1 88 88 ARG CB C 13 30.5 0.5 . 1 . . . . . . . . 6368 1 1113 . 1 1 88 88 ARG HB2 H 1 1.74 0.02 . 2 . . . . . . . . 6368 1 1114 . 1 1 88 88 ARG HB3 H 1 1.81 0.02 . 2 . . . . . . . . 6368 1 1115 . 1 1 88 88 ARG CG C 13 27.0 0.5 . 1 . . . . . . . . 6368 1 1116 . 1 1 88 88 ARG HG2 H 1 1.60 0.02 . 1 . . . . . . . . 6368 1 1117 . 1 1 88 88 ARG HG3 H 1 1.60 0.02 . 1 . . . . . . . . 6368 1 1118 . 1 1 88 88 ARG CD C 13 43.2 0.5 . 1 . . . . . . . . 6368 1 1119 . 1 1 88 88 ARG HD2 H 1 3.15 0.02 . 1 . . . . . . . . 6368 1 1120 . 1 1 88 88 ARG HD3 H 1 3.15 0.02 . 1 . . . . . . . . 6368 1 1121 . 1 1 88 88 ARG NE N 15 84.6 0.5 . 1 . . . . . . . . 6368 1 1122 . 1 1 88 88 ARG HE H 1 7.21 0.02 . 1 . . . . . . . . 6368 1 1123 . 1 1 89 89 ASN N N 15 118.9 0.5 . 1 . . . . . . . . 6368 1 1124 . 1 1 89 89 ASN H H 1 8.34 0.02 . 1 . . . . . . . . 6368 1 1125 . 1 1 89 89 ASN CA C 13 52.9 0.5 . 1 . . . . . . . . 6368 1 1126 . 1 1 89 89 ASN HA H 1 4.65 0.02 . 1 . . . . . . . . 6368 1 1127 . 1 1 89 89 ASN CB C 13 38.6 0.5 . 1 . . . . . . . . 6368 1 1128 . 1 1 89 89 ASN HB2 H 1 2.72 0.02 . 1 . . . . . . . . 6368 1 1129 . 1 1 89 89 ASN HB3 H 1 2.83 0.02 . 1 . . . . . . . . 6368 1 1130 . 1 1 89 89 ASN ND2 N 15 112.7 0.5 . 1 . . . . . . . . 6368 1 1131 . 1 1 89 89 ASN HD21 H 1 7.60 0.02 . 2 . . . . . . . . 6368 1 1132 . 1 1 89 89 ASN HD22 H 1 6.89 0.02 . 2 . . . . . . . . 6368 1 1133 . 1 1 90 90 ALA N N 15 123.7 0.5 . 1 . . . . . . . . 6368 1 1134 . 1 1 90 90 ALA H H 1 8.08 0.02 . 1 . . . . . . . . 6368 1 1135 . 1 1 90 90 ALA CA C 13 52.3 0.5 . 1 . . . . . . . . 6368 1 1136 . 1 1 90 90 ALA HA H 1 4.31 0.02 . 1 . . . . . . . . 6368 1 1137 . 1 1 90 90 ALA HB1 H 1 1.35 0.02 . 1 . . . . . . . . 6368 1 1138 . 1 1 90 90 ALA HB2 H 1 1.35 0.02 . 1 . . . . . . . . 6368 1 1139 . 1 1 90 90 ALA HB3 H 1 1.35 0.02 . 1 . . . . . . . . 6368 1 1140 . 1 1 90 90 ALA CB C 13 19.1 0.5 . 1 . . . . . . . . 6368 1 1141 . 1 1 91 91 VAL N N 15 120.5 0.5 . 1 . . . . . . . . 6368 1 1142 . 1 1 91 91 VAL H H 1 8.12 0.02 . 1 . . . . . . . . 6368 1 1143 . 1 1 91 91 VAL CA C 13 59.6 0.5 . 1 . . . . . . . . 6368 1 1144 . 1 1 91 91 VAL HA H 1 4.38 0.02 . 1 . . . . . . . . 6368 1 1145 . 1 1 91 91 VAL CB C 13 32.4 0.5 . 1 . . . . . . . . 6368 1 1146 . 1 1 91 91 VAL HB H 1 2.06 0.02 . 1 . . . . . . . . 6368 1 1147 . 1 1 91 91 VAL HG11 H 1 0.93 0.02 . 2 . . . . . . . . 6368 1 1148 . 1 1 91 91 VAL HG12 H 1 0.93 0.02 . 2 . . . . . . . . 6368 1 1149 . 1 1 91 91 VAL HG13 H 1 0.93 0.02 . 2 . . . . . . . . 6368 1 1150 . 1 1 91 91 VAL HG21 H 1 0.95 0.02 . 2 . . . . . . . . 6368 1 1151 . 1 1 91 91 VAL HG22 H 1 0.95 0.02 . 2 . . . . . . . . 6368 1 1152 . 1 1 91 91 VAL HG23 H 1 0.95 0.02 . 2 . . . . . . . . 6368 1 1153 . 1 1 91 91 VAL CG1 C 13 20.3 0.5 . 1 . . . . . . . . 6368 1 1154 . 1 1 91 91 VAL CG2 C 13 20.8 0.5 . 1 . . . . . . . . 6368 1 1155 . 1 1 92 92 PRO CD C 13 50.8 0.5 . 1 . . . . . . . . 6368 1 1156 . 1 1 92 92 PRO CA C 13 63.6 0.5 . 1 . . . . . . . . 6368 1 1157 . 1 1 92 92 PRO HA H 1 4.39 0.02 . 1 . . . . . . . . 6368 1 1158 . 1 1 92 92 PRO CB C 13 31.9 0.5 . 1 . . . . . . . . 6368 1 1159 . 1 1 92 92 PRO HB2 H 1 1.91 0.02 . 2 . . . . . . . . 6368 1 1160 . 1 1 92 92 PRO HB3 H 1 2.30 0.02 . 2 . . . . . . . . 6368 1 1161 . 1 1 92 92 PRO CG C 13 27.4 0.5 . 1 . . . . . . . . 6368 1 1162 . 1 1 92 92 PRO HG2 H 1 1.97 0.02 . 2 . . . . . . . . 6368 1 1163 . 1 1 92 92 PRO HG3 H 1 2.07 0.02 . 2 . . . . . . . . 6368 1 1164 . 1 1 92 92 PRO HD2 H 1 3.67 0.02 . 2 . . . . . . . . 6368 1 1165 . 1 1 92 92 PRO HD3 H 1 3.88 0.02 . 2 . . . . . . . . 6368 1 1166 . 1 1 93 93 GLY N N 15 110.4 0.5 . 1 . . . . . . . . 6368 1 1167 . 1 1 93 93 GLY H H 1 8.64 0.02 . 1 . . . . . . . . 6368 1 1168 . 1 1 93 93 GLY CA C 13 45.3 0.5 . 1 . . . . . . . . 6368 1 1169 . 1 1 93 93 GLY HA2 H 1 3.93 0.02 . 2 . . . . . . . . 6368 1 1170 . 1 1 93 93 GLY HA3 H 1 4.06 0.02 . 2 . . . . . . . . 6368 1 1171 . 1 1 94 94 SER N N 15 115.2 0.5 . 1 . . . . . . . . 6368 1 1172 . 1 1 94 94 SER H H 1 8.16 0.02 . 1 . . . . . . . . 6368 1 1173 . 1 1 94 94 SER CA C 13 58.3 0.5 . 1 . . . . . . . . 6368 1 1174 . 1 1 94 94 SER HA H 1 4.44 0.02 . 1 . . . . . . . . 6368 1 1175 . 1 1 94 94 SER CB C 13 63.6 0.5 . 1 . . . . . . . . 6368 1 1176 . 1 1 94 94 SER HB2 H 1 3.86 0.02 . 2 . . . . . . . . 6368 1 1177 . 1 1 94 94 SER HB3 H 1 3.92 0.02 . 2 . . . . . . . . 6368 1 1178 . 1 1 95 95 GLU N N 15 122.4 0.5 . 1 . . . . . . . . 6368 1 1179 . 1 1 95 95 GLU H H 1 8.72 0.02 . 1 . . . . . . . . 6368 1 1180 . 1 1 95 95 GLU CA C 13 56.6 0.5 . 1 . . . . . . . . 6368 1 1181 . 1 1 95 95 GLU HA H 1 4.38 0.02 . 1 . . . . . . . . 6368 1 1182 . 1 1 95 95 GLU CB C 13 29.6 0.5 . 1 . . . . . . . . 6368 1 1183 . 1 1 95 95 GLU HB2 H 1 1.98 0.02 . 2 . . . . . . . . 6368 1 1184 . 1 1 95 95 GLU HB3 H 1 2.10 0.02 . 2 . . . . . . . . 6368 1 1185 . 1 1 95 95 GLU CG C 13 35.6 0.5 . 1 . . . . . . . . 6368 1 1186 . 1 1 95 95 GLU HG2 H 1 2.30 0.02 . 1 . . . . . . . . 6368 1 1187 . 1 1 95 95 GLU HG3 H 1 2.30 0.02 . 1 . . . . . . . . 6368 1 1188 . 1 1 96 96 THR N N 15 114.0 0.5 . 1 . . . . . . . . 6368 1 1189 . 1 1 96 96 THR H H 1 8.13 0.02 . 1 . . . . . . . . 6368 1 1190 . 1 1 96 96 THR CA C 13 61.8 0.5 . 1 . . . . . . . . 6368 1 1191 . 1 1 96 96 THR HA H 1 4.33 0.02 . 1 . . . . . . . . 6368 1 1192 . 1 1 96 96 THR CB C 13 69.5 0.5 . 1 . . . . . . . . 6368 1 1193 . 1 1 96 96 THR HB H 1 4.23 0.02 . 1 . . . . . . . . 6368 1 1194 . 1 1 96 96 THR HG21 H 1 1.18 0.02 . 1 . . . . . . . . 6368 1 1195 . 1 1 96 96 THR HG22 H 1 1.18 0.02 . 1 . . . . . . . . 6368 1 1196 . 1 1 96 96 THR HG23 H 1 1.18 0.02 . 1 . . . . . . . . 6368 1 1197 . 1 1 96 96 THR CG2 C 13 21.7 0.5 . 1 . . . . . . . . 6368 1 1198 . 1 1 97 97 GLU N N 15 122.8 0.5 . 1 . . . . . . . . 6368 1 1199 . 1 1 97 97 GLU H H 1 8.37 0.02 . 1 . . . . . . . . 6368 1 1200 . 1 1 97 97 GLU CA C 13 56.7 0.5 . 1 . . . . . . . . 6368 1 1201 . 1 1 97 97 GLU HA H 1 4.30 0.02 . 1 . . . . . . . . 6368 1 1202 . 1 1 97 97 GLU CB C 13 30.0 0.5 . 1 . . . . . . . . 6368 1 1203 . 1 1 97 97 GLU HB2 H 1 1.97 0.02 . 2 . . . . . . . . 6368 1 1204 . 1 1 97 97 GLU HB3 H 1 2.07 0.02 . 2 . . . . . . . . 6368 1 1205 . 1 1 97 97 GLU CG C 13 35.7 0.5 . 1 . . . . . . . . 6368 1 1206 . 1 1 97 97 GLU HG2 H 1 2.31 0.02 . 1 . . . . . . . . 6368 1 1207 . 1 1 97 97 GLU HG3 H 1 2.31 0.02 . 1 . . . . . . . . 6368 1 1208 . 1 1 98 98 GLY N N 15 109.6 0.5 . 1 . . . . . . . . 6368 1 1209 . 1 1 98 98 GLY H H 1 8.45 0.02 . 1 . . . . . . . . 6368 1 1210 . 1 1 98 98 GLY CA C 13 45.3 0.5 . 1 . . . . . . . . 6368 1 1211 . 1 1 98 98 GLY HA2 H 1 3.97 0.02 . 1 . . . . . . . . 6368 1 1212 . 1 1 98 98 GLY HA3 H 1 3.97 0.02 . 1 . . . . . . . . 6368 1 1213 . 1 1 99 99 GLU N N 15 120.5 0.5 . 1 . . . . . . . . 6368 1 1214 . 1 1 99 99 GLU H H 1 8.29 0.02 . 1 . . . . . . . . 6368 1 1215 . 1 1 99 99 GLU CA C 13 57.0 0.5 . 1 . . . . . . . . 6368 1 1216 . 1 1 99 99 GLU HA H 1 4.20 0.02 . 1 . . . . . . . . 6368 1 1217 . 1 1 99 99 GLU CB C 13 29.6 0.5 . 1 . . . . . . . . 6368 1 1218 . 1 1 99 99 GLU HB2 H 1 1.98 0.02 . 2 . . . . . . . . 6368 1 1219 . 1 1 99 99 GLU HB3 H 1 2.06 0.02 . 2 . . . . . . . . 6368 1 1220 . 1 1 99 99 GLU CG C 13 35.5 0.5 . 1 . . . . . . . . 6368 1 1221 . 1 1 99 99 GLU HG2 H 1 2.29 0.02 . 1 . . . . . . . . 6368 1 1222 . 1 1 99 99 GLU HG3 H 1 2.29 0.02 . 1 . . . . . . . . 6368 1 1223 . 1 1 100 100 GLU N N 15 120.9 0.5 . 1 . . . . . . . . 6368 1 1224 . 1 1 100 100 GLU H H 1 8.54 0.02 . 1 . . . . . . . . 6368 1 1225 . 1 1 100 100 GLU CA C 13 57.3 0.5 . 1 . . . . . . . . 6368 1 1226 . 1 1 100 100 GLU HA H 1 4.16 0.02 . 1 . . . . . . . . 6368 1 1227 . 1 1 100 100 GLU CB C 13 29.4 0.5 . 1 . . . . . . . . 6368 1 1228 . 1 1 100 100 GLU HB2 H 1 1.97 0.02 . 2 . . . . . . . . 6368 1 1229 . 1 1 100 100 GLU HB3 H 1 2.01 0.02 . 2 . . . . . . . . 6368 1 1230 . 1 1 100 100 GLU CG C 13 35.5 0.5 . 1 . . . . . . . . 6368 1 1231 . 1 1 100 100 GLU HG2 H 1 2.29 0.02 . 1 . . . . . . . . 6368 1 1232 . 1 1 100 100 GLU HG3 H 1 2.29 0.02 . 1 . . . . . . . . 6368 1 1233 . 1 1 101 101 ALA N N 15 123.1 0.5 . 1 . . . . . . . . 6368 1 1234 . 1 1 101 101 ALA H H 1 8.12 0.02 . 1 . . . . . . . . 6368 1 1235 . 1 1 101 101 ALA CA C 13 52.7 0.5 . 1 . . . . . . . . 6368 1 1236 . 1 1 101 101 ALA HA H 1 4.19 0.02 . 1 . . . . . . . . 6368 1 1237 . 1 1 101 101 ALA HB1 H 1 1.36 0.02 . 1 . . . . . . . . 6368 1 1238 . 1 1 101 101 ALA HB2 H 1 1.36 0.02 . 1 . . . . . . . . 6368 1 1239 . 1 1 101 101 ALA HB3 H 1 1.36 0.02 . 1 . . . . . . . . 6368 1 1240 . 1 1 101 101 ALA CB C 13 18.5 0.5 . 1 . . . . . . . . 6368 1 stop_ save_