data_18673 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18673 _Entry.Title ; Solution NMR structure of a potential acylphosphatase from Giardia lamblia, Seattle Structural Genomics Center for Infectious Disease target GilaA.01396.a ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-08-20 _Entry.Accession_date 2012-08-20 _Entry.Last_release_date 2012-09-25 _Entry.Original_release_date 2012-09-25 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _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 Garry Buchko . W. . 18673 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'Seattle Structural Genomics Center for Infectious Disease' . 18673 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID acylphosphatase . 18673 'Beaver fever' . 18673 giardiasis . 18673 'Seattle Structural Genomics Center for Infectious Disease' . 18673 SSGCID . 18673 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18673 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 410 18673 '15N chemical shifts' 99 18673 '1H chemical shifts' 598 18673 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 . . 2012-09-25 2012-08-20 original author . 18673 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LXF 'BMRB Entry Tracking System' 18673 TargetDB GilaA.01396.a . 18673 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18673 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure of an acylphosphatase from Giardia lamblia, the etiological agent responsible for giardiasis' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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 Garry Buchko . W. . 18673 1 2 Stephan Hewitt . N. . 18673 1 3 Alberto Napuli . J. . 18673 1 4 Wesley 'Van Voorhis' . C . 18673 1 5 Peter Myler . J. . 18673 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18673 _Assembly.ID 1 _Assembly.Name 'potential acylphosphatase from Giardia lamblia' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'potential acylphosphatase from Giardia lamblia' 1 $GilaA A . yes native no no . . . 18673 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_GilaA _Entity.Sf_category entity _Entity.Sf_framecode GilaA _Entity.Entry_ID 18673 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MAHHHHHHMGTLEAQTQGPG SMQGSMPSSSEDVTTLCYRV TGKVQGVFFRKYTKKEADAL SLVGYVTNNEDGSVSGVVQG PKEQVDAFVKYLHKGSPKSV VKKVSIHASSRVDADGFEIR R ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'Residue 22 is the first amino acid of the natural protein sequence' _Entity.Polymer_author_seq_details 'Residues 1-21 are non-native residues added to the protein to facilitate purification.' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 121 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13221.998 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2LXF . "Solution Nmr Structure Of A Potential Acylphosphatase From Giardia Lamblia, Seattle Structural Genomics Center For Infectious D" . . . . . 100.00 121 100.00 100.00 2.44e-82 . . . . 18673 1 2 no GB EDO78469 . "hypothetical protein GL50803_7871 [Giardia lamblia ATCC 50803]" . . . . . 82.64 100 100.00 100.00 6.29e-65 . . . . 18673 1 3 no GB ESU35281 . "Acylphosphatase [Giardia intestinalis]" . . . . . 82.64 101 100.00 100.00 6.62e-65 . . . . 18673 1 4 no REF XP_001706143 . "Hypothetical protein GL50803_7871 [Giardia lamblia ATCC 50803]" . . . . . 82.64 100 100.00 100.00 6.29e-65 . . . . 18673 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 . 18673 1 2 . ALA . 18673 1 3 . HIS . 18673 1 4 . HIS . 18673 1 5 . HIS . 18673 1 6 . HIS . 18673 1 7 . HIS . 18673 1 8 . HIS . 18673 1 9 . MET . 18673 1 10 . GLY . 18673 1 11 . THR . 18673 1 12 . LEU . 18673 1 13 . GLU . 18673 1 14 . ALA . 18673 1 15 . GLN . 18673 1 16 . THR . 18673 1 17 . GLN . 18673 1 18 . GLY . 18673 1 19 . PRO . 18673 1 20 . GLY . 18673 1 21 . SER . 18673 1 22 . MET . 18673 1 23 . GLN . 18673 1 24 . GLY . 18673 1 25 . SER . 18673 1 26 . MET . 18673 1 27 . PRO . 18673 1 28 . SER . 18673 1 29 . SER . 18673 1 30 . SER . 18673 1 31 . GLU . 18673 1 32 . ASP . 18673 1 33 . VAL . 18673 1 34 . THR . 18673 1 35 . THR . 18673 1 36 . LEU . 18673 1 37 . CYS . 18673 1 38 . TYR . 18673 1 39 . ARG . 18673 1 40 . VAL . 18673 1 41 . THR . 18673 1 42 . GLY . 18673 1 43 . LYS . 18673 1 44 . VAL . 18673 1 45 . GLN . 18673 1 46 . GLY . 18673 1 47 . VAL . 18673 1 48 . PHE . 18673 1 49 . PHE . 18673 1 50 . ARG . 18673 1 51 . LYS . 18673 1 52 . TYR . 18673 1 53 . THR . 18673 1 54 . LYS . 18673 1 55 . LYS . 18673 1 56 . GLU . 18673 1 57 . ALA . 18673 1 58 . ASP . 18673 1 59 . ALA . 18673 1 60 . LEU . 18673 1 61 . SER . 18673 1 62 . LEU . 18673 1 63 . VAL . 18673 1 64 . GLY . 18673 1 65 . TYR . 18673 1 66 . VAL . 18673 1 67 . THR . 18673 1 68 . ASN . 18673 1 69 . ASN . 18673 1 70 . GLU . 18673 1 71 . ASP . 18673 1 72 . GLY . 18673 1 73 . SER . 18673 1 74 . VAL . 18673 1 75 . SER . 18673 1 76 . GLY . 18673 1 77 . VAL . 18673 1 78 . VAL . 18673 1 79 . GLN . 18673 1 80 . GLY . 18673 1 81 . PRO . 18673 1 82 . LYS . 18673 1 83 . GLU . 18673 1 84 . GLN . 18673 1 85 . VAL . 18673 1 86 . ASP . 18673 1 87 . ALA . 18673 1 88 . PHE . 18673 1 89 . VAL . 18673 1 90 . LYS . 18673 1 91 . TYR . 18673 1 92 . LEU . 18673 1 93 . HIS . 18673 1 94 . LYS . 18673 1 95 . GLY . 18673 1 96 . SER . 18673 1 97 . PRO . 18673 1 98 . LYS . 18673 1 99 . SER . 18673 1 100 . VAL . 18673 1 101 . VAL . 18673 1 102 . LYS . 18673 1 103 . LYS . 18673 1 104 . VAL . 18673 1 105 . SER . 18673 1 106 . ILE . 18673 1 107 . HIS . 18673 1 108 . ALA . 18673 1 109 . SER . 18673 1 110 . SER . 18673 1 111 . ARG . 18673 1 112 . VAL . 18673 1 113 . ASP . 18673 1 114 . ALA . 18673 1 115 . ASP . 18673 1 116 . GLY . 18673 1 117 . PHE . 18673 1 118 . GLU . 18673 1 119 . ILE . 18673 1 120 . ARG . 18673 1 121 . ARG . 18673 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 18673 1 . ALA 2 2 18673 1 . HIS 3 3 18673 1 . HIS 4 4 18673 1 . HIS 5 5 18673 1 . HIS 6 6 18673 1 . HIS 7 7 18673 1 . HIS 8 8 18673 1 . MET 9 9 18673 1 . GLY 10 10 18673 1 . THR 11 11 18673 1 . LEU 12 12 18673 1 . GLU 13 13 18673 1 . ALA 14 14 18673 1 . GLN 15 15 18673 1 . THR 16 16 18673 1 . GLN 17 17 18673 1 . GLY 18 18 18673 1 . PRO 19 19 18673 1 . GLY 20 20 18673 1 . SER 21 21 18673 1 . MET 22 22 18673 1 . GLN 23 23 18673 1 . GLY 24 24 18673 1 . SER 25 25 18673 1 . MET 26 26 18673 1 . PRO 27 27 18673 1 . SER 28 28 18673 1 . SER 29 29 18673 1 . SER 30 30 18673 1 . GLU 31 31 18673 1 . ASP 32 32 18673 1 . VAL 33 33 18673 1 . THR 34 34 18673 1 . THR 35 35 18673 1 . LEU 36 36 18673 1 . CYS 37 37 18673 1 . TYR 38 38 18673 1 . ARG 39 39 18673 1 . VAL 40 40 18673 1 . THR 41 41 18673 1 . GLY 42 42 18673 1 . LYS 43 43 18673 1 . VAL 44 44 18673 1 . GLN 45 45 18673 1 . GLY 46 46 18673 1 . VAL 47 47 18673 1 . PHE 48 48 18673 1 . PHE 49 49 18673 1 . ARG 50 50 18673 1 . LYS 51 51 18673 1 . TYR 52 52 18673 1 . THR 53 53 18673 1 . LYS 54 54 18673 1 . LYS 55 55 18673 1 . GLU 56 56 18673 1 . ALA 57 57 18673 1 . ASP 58 58 18673 1 . ALA 59 59 18673 1 . LEU 60 60 18673 1 . SER 61 61 18673 1 . LEU 62 62 18673 1 . VAL 63 63 18673 1 . GLY 64 64 18673 1 . TYR 65 65 18673 1 . VAL 66 66 18673 1 . THR 67 67 18673 1 . ASN 68 68 18673 1 . ASN 69 69 18673 1 . GLU 70 70 18673 1 . ASP 71 71 18673 1 . GLY 72 72 18673 1 . SER 73 73 18673 1 . VAL 74 74 18673 1 . SER 75 75 18673 1 . GLY 76 76 18673 1 . VAL 77 77 18673 1 . VAL 78 78 18673 1 . GLN 79 79 18673 1 . GLY 80 80 18673 1 . PRO 81 81 18673 1 . LYS 82 82 18673 1 . GLU 83 83 18673 1 . GLN 84 84 18673 1 . VAL 85 85 18673 1 . ASP 86 86 18673 1 . ALA 87 87 18673 1 . PHE 88 88 18673 1 . VAL 89 89 18673 1 . LYS 90 90 18673 1 . TYR 91 91 18673 1 . LEU 92 92 18673 1 . HIS 93 93 18673 1 . LYS 94 94 18673 1 . GLY 95 95 18673 1 . SER 96 96 18673 1 . PRO 97 97 18673 1 . LYS 98 98 18673 1 . SER 99 99 18673 1 . VAL 100 100 18673 1 . VAL 101 101 18673 1 . LYS 102 102 18673 1 . LYS 103 103 18673 1 . VAL 104 104 18673 1 . SER 105 105 18673 1 . ILE 106 106 18673 1 . HIS 107 107 18673 1 . ALA 108 108 18673 1 . SER 109 109 18673 1 . SER 110 110 18673 1 . ARG 111 111 18673 1 . VAL 112 112 18673 1 . ASP 113 113 18673 1 . ALA 114 114 18673 1 . ASP 115 115 18673 1 . GLY 116 116 18673 1 . PHE 117 117 18673 1 . GLU 118 118 18673 1 . ILE 119 119 18673 1 . ARG 120 120 18673 1 . ARG 121 121 18673 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 18673 _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 $GilaA . 184922 organism . 'Giardia lamblia' 'Giardia intestinalis ATCC 50803' . . Eukaryota . Giardia lamblia 'ATCC 50803' . . . . . . . . . . . . . . . . . . . . 18673 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 18673 _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 $GilaA . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . . . . . . . . . . . AVA0421 . . . . . . 18673 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18673 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 GilaA '[U-99% 13C; U-99% 15N]' . . 1 $GilaA . . 1.5 . . mM 0.2 . . . 18673 1 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM 2 . . . 18673 1 3 TRIS 'natural abundance' . . . . . . 20 . . mM 0.5 . . . 18673 1 4 DTT 'natural abundance' . . . . . . 1 . . mM 0.1 . . . 18673 1 5 H2O 'natural abundance' . . . . . . 93 . . % . . . . 18673 1 6 D2O 'natural abundance' . . . . . . 7 . . % . . . . 18673 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18673 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 GilaA '[U-99% 13C; U-99% 15N]' . . 1 $GilaA . . 1.5 . . mM 0.2 . . . 18673 2 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM 2 . . . 18673 2 3 TRIS 'natural abundance' . . . . . . 20 . . mM 0.5 . . . 18673 2 4 DTT 'natural abundance' . . . . . . 1 . . mM 0.1 . . . 18673 2 5 D2O 'natural abundance' . . . . . . 100 . . % . . . . 18673 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18673 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.12 0.01 M 18673 1 pH 7 0.2 pH 18673 1 pressure 1 . atm 18673 1 temperature 293 0.5 K 18673 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18673 _Software.ID 1 _Software.Name SPARKY _Software.Version 3.115 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18673 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18673 1 'peak picking' 18673 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18673 _Software.ID 2 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18673 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18673 2 stop_ save_ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 18673 _Software.ID 3 _Software.Name FELIX _Software.Version 2007 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 18673 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18673 3 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 18673 _Software.ID 4 _Software.Name CNS _Software.Version 1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 18673 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18673 4 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 18673 _Software.ID 5 _Software.Name PSVS _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya and Montelione' . . 18673 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18673 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18673 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18673 _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_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 18673 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18673 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 18673 1 2 spectrometer_2 Varian INOVA . 750 . . . 18673 1 3 spectrometer_3 Varian INOVA . 800 . . . 18673 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 18673 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18673 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18673 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18673 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18673 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 18673 1 6 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 18673 1 7 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 18673 1 8 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18673 1 9 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 18673 1 10 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 18673 1 11 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 18673 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18673 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18673 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18673 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18673 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18673 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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 4 '3D HNCO' . . . 18673 1 5 '3D 1H-15N NOESY' . . . 18673 1 6 '3D 1H-13C NOESY aliphatic' . . . 18673 1 7 '3D 1H-13C NOESY aromatic' . . . 18673 1 8 '3D C(CO)NH' . . . 18673 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ALA HA H 1 4.03 0.02 . 1 . . . A 2 ALA HA . 18673 1 2 . 1 1 2 2 ALA HB1 H 1 1.43 0.02 . 1 . . . A 2 ALA HB1 . 18673 1 3 . 1 1 2 2 ALA HB2 H 1 1.43 0.02 . 1 . . . A 2 ALA HB2 . 18673 1 4 . 1 1 2 2 ALA HB3 H 1 1.43 0.02 . 1 . . . A 2 ALA HB3 . 18673 1 5 . 1 1 2 2 ALA CA C 13 51.7 0.2 . 1 . . . A 2 ALA CA . 18673 1 6 . 1 1 2 2 ALA CB C 13 19.5 0.2 . 1 . . . A 2 ALA CB . 18673 1 7 . 1 1 9 9 MET C C 13 176.7 0.2 . 1 . . . A 9 MET C . 18673 1 8 . 1 1 9 9 MET CA C 13 55.6 0.2 . 1 . . . A 9 MET CA . 18673 1 9 . 1 1 9 9 MET CB C 13 32.8 0.2 . 1 . . . A 9 MET CB . 18673 1 10 . 1 1 9 9 MET CG C 13 31.9 0.2 . 1 . . . A 9 MET CG . 18673 1 11 . 1 1 10 10 GLY H H 1 8.54 0.02 . 1 . . . A 10 GLY H . 18673 1 12 . 1 1 10 10 GLY HA2 H 1 4.02 0.02 . 2 . . . A 10 GLY HA2 . 18673 1 13 . 1 1 10 10 GLY HA3 H 1 4.02 0.02 . 2 . . . A 10 GLY HA3 . 18673 1 14 . 1 1 10 10 GLY C C 13 174.4 0.2 . 1 . . . A 10 GLY C . 18673 1 15 . 1 1 10 10 GLY CA C 13 45.3 0.2 . 1 . . . A 10 GLY CA . 18673 1 16 . 1 1 10 10 GLY N N 15 110.2 0.2 . 1 . . . A 10 GLY N . 18673 1 17 . 1 1 11 11 THR H H 1 8.11 0.02 . 1 . . . A 11 THR H . 18673 1 18 . 1 1 11 11 THR HA H 1 4.33 0.02 . 1 . . . A 11 THR HA . 18673 1 19 . 1 1 11 11 THR HB H 1 4.24 0.02 . 1 . . . A 11 THR HB . 18673 1 20 . 1 1 11 11 THR HG21 H 1 1.20 0.02 . 1 . . . A 11 THR HG21 . 18673 1 21 . 1 1 11 11 THR HG22 H 1 1.20 0.02 . 1 . . . A 11 THR HG22 . 18673 1 22 . 1 1 11 11 THR HG23 H 1 1.20 0.02 . 1 . . . A 11 THR HG23 . 18673 1 23 . 1 1 11 11 THR C C 13 174.9 0.2 . 1 . . . A 11 THR C . 18673 1 24 . 1 1 11 11 THR CA C 13 62.0 0.2 . 1 . . . A 11 THR CA . 18673 1 25 . 1 1 11 11 THR CB C 13 69.8 0.2 . 1 . . . A 11 THR CB . 18673 1 26 . 1 1 11 11 THR CG2 C 13 21.7 0.2 . 1 . . . A 11 THR CG2 . 18673 1 27 . 1 1 11 11 THR N N 15 113.7 0.2 . 1 . . . A 11 THR N . 18673 1 28 . 1 1 12 12 LEU H H 1 8.40 0.02 . 1 . . . A 12 LEU H . 18673 1 29 . 1 1 12 12 LEU HA H 1 4.32 0.02 . 1 . . . A 12 LEU HA . 18673 1 30 . 1 1 12 12 LEU HB2 H 1 1.65 0.02 . 2 . . . A 12 LEU HB2 . 18673 1 31 . 1 1 12 12 LEU HB3 H 1 1.60 0.02 . 2 . . . A 12 LEU HB3 . 18673 1 32 . 1 1 12 12 LEU HD11 H 1 0.90 0.02 . 2 . . . A 12 LEU HD11 . 18673 1 33 . 1 1 12 12 LEU HD12 H 1 0.90 0.02 . 2 . . . A 12 LEU HD12 . 18673 1 34 . 1 1 12 12 LEU HD13 H 1 0.90 0.02 . 2 . . . A 12 LEU HD13 . 18673 1 35 . 1 1 12 12 LEU CA C 13 55.6 0.2 . 1 . . . A 12 LEU CA . 18673 1 36 . 1 1 12 12 LEU CB C 13 42.1 0.2 . 1 . . . A 12 LEU CB . 18673 1 37 . 1 1 12 12 LEU CD1 C 13 24.8 0.2 . 2 . . . A 12 LEU CD1 . 18673 1 38 . 1 1 12 12 LEU N N 15 124.0 0.2 . 1 . . . A 12 LEU N . 18673 1 39 . 1 1 13 13 GLU H H 1 8.30 0.02 . 1 . . . A 13 GLU H . 18673 1 40 . 1 1 13 13 GLU HA H 1 4.20 0.02 . 1 . . . A 13 GLU HA . 18673 1 41 . 1 1 13 13 GLU HB2 H 1 2.02 0.02 . 2 . . . A 13 GLU HB2 . 18673 1 42 . 1 1 13 13 GLU HB3 H 1 1.93 0.02 . 2 . . . A 13 GLU HB3 . 18673 1 43 . 1 1 13 13 GLU HG2 H 1 2.28 0.02 . 2 . . . A 13 GLU HG2 . 18673 1 44 . 1 1 13 13 GLU HG3 H 1 2.28 0.02 . 2 . . . A 13 GLU HG3 . 18673 1 45 . 1 1 13 13 GLU CA C 13 56.9 0.2 . 1 . . . A 13 GLU CA . 18673 1 46 . 1 1 13 13 GLU CB C 13 30.1 0.2 . 1 . . . A 13 GLU CB . 18673 1 47 . 1 1 14 14 ALA H H 1 8.35 0.02 . 1 . . . A 14 ALA H . 18673 1 48 . 1 1 14 14 ALA HA H 1 4.27 0.02 . 1 . . . A 14 ALA HA . 18673 1 49 . 1 1 14 14 ALA HB1 H 1 1.39 0.02 . 1 . . . A 14 ALA HB1 . 18673 1 50 . 1 1 14 14 ALA HB2 H 1 1.39 0.02 . 1 . . . A 14 ALA HB2 . 18673 1 51 . 1 1 14 14 ALA HB3 H 1 1.39 0.02 . 1 . . . A 14 ALA HB3 . 18673 1 52 . 1 1 14 14 ALA C C 13 178.0 0.2 . 1 . . . A 14 ALA C . 18673 1 53 . 1 1 14 14 ALA CA C 13 52.7 0.2 . 1 . . . A 14 ALA CA . 18673 1 54 . 1 1 14 14 ALA CB C 13 19.1 0.2 . 1 . . . A 14 ALA CB . 18673 1 55 . 1 1 15 15 GLN H H 1 8.36 0.02 . 1 . . . A 15 GLN H . 18673 1 56 . 1 1 15 15 GLN HA H 1 4.38 0.02 . 1 . . . A 15 GLN HA . 18673 1 57 . 1 1 15 15 GLN HB2 H 1 2.14 0.02 . 2 . . . A 15 GLN HB2 . 18673 1 58 . 1 1 15 15 GLN HB3 H 1 2.02 0.02 . 2 . . . A 15 GLN HB3 . 18673 1 59 . 1 1 15 15 GLN HG2 H 1 2.39 0.02 . 2 . . . A 15 GLN HG2 . 18673 1 60 . 1 1 15 15 GLN HG3 H 1 2.39 0.02 . 2 . . . A 15 GLN HG3 . 18673 1 61 . 1 1 15 15 GLN C C 13 176.5 0.2 . 1 . . . A 15 GLN C . 18673 1 62 . 1 1 15 15 GLN CA C 13 55.9 0.2 . 1 . . . A 15 GLN CA . 18673 1 63 . 1 1 15 15 GLN CB C 13 29.4 0.2 . 1 . . . A 15 GLN CB . 18673 1 64 . 1 1 15 15 GLN CG C 13 33.8 0.2 . 1 . . . A 15 GLN CG . 18673 1 65 . 1 1 15 15 GLN N N 15 118.9 0.2 . 1 . . . A 15 GLN N . 18673 1 66 . 1 1 16 16 THR H H 1 8.18 0.02 . 1 . . . A 16 THR H . 18673 1 67 . 1 1 16 16 THR CA C 13 62.0 0.2 . 1 . . . A 16 THR CA . 18673 1 68 . 1 1 16 16 THR CB C 13 69.8 0.2 . 1 . . . A 16 THR CB . 18673 1 69 . 1 1 16 16 THR CG2 C 13 21.7 0.2 . 1 . . . A 16 THR CG2 . 18673 1 70 . 1 1 16 16 THR N N 15 114.7 0.2 . 1 . . . A 16 THR N . 18673 1 71 . 1 1 17 17 GLN H H 1 8.42 0.02 . 1 . . . A 17 GLN H . 18673 1 72 . 1 1 17 17 GLN HA H 1 4.44 0.02 . 1 . . . A 17 GLN HA . 18673 1 73 . 1 1 17 17 GLN HB2 H 1 2.16 0.02 . 2 . . . A 17 GLN HB2 . 18673 1 74 . 1 1 17 17 GLN HB3 H 1 2.00 0.02 . 2 . . . A 17 GLN HB3 . 18673 1 75 . 1 1 17 17 GLN HG2 H 1 2.39 0.02 . 2 . . . A 17 GLN HG2 . 18673 1 76 . 1 1 17 17 GLN HG3 H 1 2.39 0.02 . 2 . . . A 17 GLN HG3 . 18673 1 77 . 1 1 17 17 GLN C C 13 176.1 0.2 . 1 . . . A 17 GLN C . 18673 1 78 . 1 1 17 17 GLN CA C 13 55.6 0.2 . 1 . . . A 17 GLN CA . 18673 1 79 . 1 1 17 17 GLN CB C 13 29.7 0.2 . 1 . . . A 17 GLN CB . 18673 1 80 . 1 1 17 17 GLN CG C 13 33.8 0.2 . 1 . . . A 17 GLN CG . 18673 1 81 . 1 1 17 17 GLN N N 15 122.3 0.2 . 1 . . . A 17 GLN N . 18673 1 82 . 1 1 18 18 GLY H H 1 8.36 0.02 . 1 . . . A 18 GLY H . 18673 1 83 . 1 1 18 18 GLY HA2 H 1 4.15 0.02 . 2 . . . A 18 GLY HA2 . 18673 1 84 . 1 1 18 18 GLY HA3 H 1 4.10 0.02 . 2 . . . A 18 GLY HA3 . 18673 1 85 . 1 1 18 18 GLY CA C 13 44.6 0.2 . 1 . . . A 18 GLY CA . 18673 1 86 . 1 1 18 18 GLY N N 15 109.9 0.2 . 1 . . . A 18 GLY N . 18673 1 87 . 1 1 19 19 PRO HA H 1 4.44 0.02 . 1 . . . A 19 PRO HA . 18673 1 88 . 1 1 19 19 PRO HB2 H 1 2.29 0.02 . 2 . . . A 19 PRO HB2 . 18673 1 89 . 1 1 19 19 PRO HB3 H 1 1.98 0.02 . 2 . . . A 19 PRO HB3 . 18673 1 90 . 1 1 19 19 PRO HG2 H 1 2.04 0.02 . 2 . . . A 19 PRO HG2 . 18673 1 91 . 1 1 19 19 PRO HG3 H 1 2.04 0.02 . 2 . . . A 19 PRO HG3 . 18673 1 92 . 1 1 19 19 PRO HD2 H 1 3.64 0.02 . 2 . . . A 19 PRO HD2 . 18673 1 93 . 1 1 19 19 PRO HD3 H 1 3.67 0.02 . 2 . . . A 19 PRO HD3 . 18673 1 94 . 1 1 19 19 PRO C C 13 178.0 0.2 . 1 . . . A 19 PRO C . 18673 1 95 . 1 1 19 19 PRO CA C 13 63.7 0.2 . 1 . . . A 19 PRO CA . 18673 1 96 . 1 1 19 19 PRO CB C 13 32.0 0.2 . 1 . . . A 19 PRO CB . 18673 1 97 . 1 1 19 19 PRO CG C 13 27.2 0.2 . 1 . . . A 19 PRO CG . 18673 1 98 . 1 1 19 19 PRO CD C 13 49.8 0.2 . 1 . . . A 19 PRO CD . 18673 1 99 . 1 1 20 20 GLY H H 1 8.63 0.02 . 1 . . . A 20 GLY H . 18673 1 100 . 1 1 20 20 GLY HA2 H 1 3.97 0.02 . 2 . . . A 20 GLY HA2 . 18673 1 101 . 1 1 20 20 GLY HA3 H 1 3.97 0.02 . 2 . . . A 20 GLY HA3 . 18673 1 102 . 1 1 20 20 GLY C C 13 174.5 0.2 . 1 . . . A 20 GLY C . 18673 1 103 . 1 1 20 20 GLY CA C 13 45.3 0.2 . 1 . . . A 20 GLY CA . 18673 1 104 . 1 1 20 20 GLY N N 15 109.4 0.2 . 1 . . . A 20 GLY N . 18673 1 105 . 1 1 21 21 SER H H 1 8.17 0.02 . 1 . . . A 21 SER H . 18673 1 106 . 1 1 21 21 SER C C 13 175.0 0.2 . 1 . . . A 21 SER C . 18673 1 107 . 1 1 21 21 SER CA C 13 58.6 0.2 . 1 . . . A 21 SER CA . 18673 1 108 . 1 1 21 21 SER CB C 13 63.9 0.2 . 1 . . . A 21 SER CB . 18673 1 109 . 1 1 21 21 SER N N 15 115.2 0.2 . 1 . . . A 21 SER N . 18673 1 110 . 1 1 22 22 MET HA H 1 4.51 0.02 . 1 . . . A 22 MET HA . 18673 1 111 . 1 1 22 22 MET CA C 13 55.6 0.2 . 1 . . . A 22 MET CA . 18673 1 112 . 1 1 22 22 MET CB C 13 32.5 0.2 . 1 . . . A 22 MET CB . 18673 1 113 . 1 1 22 22 MET CG C 13 31.9 0.2 . 1 . . . A 22 MET CG . 18673 1 114 . 1 1 23 23 GLN H H 1 8.43 0.02 . 1 . . . A 23 GLN H . 18673 1 115 . 1 1 23 23 GLN HA H 1 4.34 0.02 . 1 . . . A 23 GLN HA . 18673 1 116 . 1 1 23 23 GLN HB2 H 1 2.13 0.02 . 2 . . . A 23 GLN HB2 . 18673 1 117 . 1 1 23 23 GLN HB3 H 1 2.02 0.02 . 2 . . . A 23 GLN HB3 . 18673 1 118 . 1 1 23 23 GLN HG2 H 1 2.39 0.02 . 2 . . . A 23 GLN HG2 . 18673 1 119 . 1 1 23 23 GLN HG3 H 1 2.39 0.02 . 2 . . . A 23 GLN HG3 . 18673 1 120 . 1 1 23 23 GLN C C 13 176.6 0.2 . 1 . . . A 23 GLN C . 18673 1 121 . 1 1 23 23 GLN CA C 13 56.3 0.2 . 1 . . . A 23 GLN CA . 18673 1 122 . 1 1 23 23 GLN CB C 13 29.1 0.2 . 1 . . . A 23 GLN CB . 18673 1 123 . 1 1 23 23 GLN CG C 13 33.8 0.2 . 1 . . . A 23 GLN CG . 18673 1 124 . 1 1 23 23 GLN N N 15 121.6 0.2 . 1 . . . A 23 GLN N . 18673 1 125 . 1 1 24 24 GLY H H 1 8.49 0.02 . 1 . . . A 24 GLY H . 18673 1 126 . 1 1 24 24 GLY HA2 H 1 3.99 0.02 . 2 . . . A 24 GLY HA2 . 18673 1 127 . 1 1 24 24 GLY HA3 H 1 3.99 0.02 . 2 . . . A 24 GLY HA3 . 18673 1 128 . 1 1 24 24 GLY C C 13 174.1 0.2 . 1 . . . A 24 GLY C . 18673 1 129 . 1 1 24 24 GLY CA C 13 45.3 0.2 . 1 . . . A 24 GLY CA . 18673 1 130 . 1 1 24 24 GLY N N 15 110.2 0.2 . 1 . . . A 24 GLY N . 18673 1 131 . 1 1 25 25 SER H H 1 8.22 0.02 . 1 . . . A 25 SER H . 18673 1 132 . 1 1 25 25 SER HA H 1 4.48 0.02 . 1 . . . A 25 SER HA . 18673 1 133 . 1 1 25 25 SER HB2 H 1 3.87 0.02 . 2 . . . A 25 SER HB2 . 18673 1 134 . 1 1 25 25 SER HB3 H 1 3.87 0.02 . 2 . . . A 25 SER HB3 . 18673 1 135 . 1 1 25 25 SER C C 13 174.4 0.2 . 1 . . . A 25 SER C . 18673 1 136 . 1 1 25 25 SER CA C 13 58.2 0.2 . 1 . . . A 25 SER CA . 18673 1 137 . 1 1 25 25 SER CB C 13 63.9 0.2 . 1 . . . A 25 SER CB . 18673 1 138 . 1 1 25 25 SER N N 15 115.2 0.2 . 1 . . . A 25 SER N . 18673 1 139 . 1 1 26 26 MET H H 1 8.45 0.02 . 1 . . . A 26 MET H . 18673 1 140 . 1 1 26 26 MET HB2 H 1 2.08 0.02 . 2 . . . A 26 MET HB2 . 18673 1 141 . 1 1 26 26 MET HB3 H 1 1.98 0.02 . 2 . . . A 26 MET HB3 . 18673 1 142 . 1 1 26 26 MET HG2 H 1 2.62 0.02 . 2 . . . A 26 MET HG2 . 18673 1 143 . 1 1 26 26 MET HG3 H 1 2.62 0.02 . 2 . . . A 26 MET HG3 . 18673 1 144 . 1 1 26 26 MET CA C 13 53.4 0.2 . 1 . . . A 26 MET CA . 18673 1 145 . 1 1 26 26 MET CB C 13 32.4 0.2 . 1 . . . A 26 MET CB . 18673 1 146 . 1 1 26 26 MET N N 15 122.9 0.2 . 1 . . . A 26 MET N . 18673 1 147 . 1 1 27 27 PRO HA H 1 4.49 0.02 . 1 . . . A 27 PRO HA . 18673 1 148 . 1 1 27 27 PRO HB2 H 1 2.33 0.02 . 2 . . . A 27 PRO HB2 . 18673 1 149 . 1 1 27 27 PRO HB3 H 1 1.96 0.02 . 2 . . . A 27 PRO HB3 . 18673 1 150 . 1 1 27 27 PRO HG2 H 1 2.04 0.02 . 2 . . . A 27 PRO HG2 . 18673 1 151 . 1 1 27 27 PRO HG3 H 1 2.04 0.02 . 2 . . . A 27 PRO HG3 . 18673 1 152 . 1 1 27 27 PRO HD2 H 1 3.87 0.02 . 2 . . . A 27 PRO HD2 . 18673 1 153 . 1 1 27 27 PRO HD3 H 1 3.71 0.02 . 2 . . . A 27 PRO HD3 . 18673 1 154 . 1 1 27 27 PRO C C 13 177.2 0.2 . 1 . . . A 27 PRO C . 18673 1 155 . 1 1 27 27 PRO CA C 13 63.2 0.2 . 1 . . . A 27 PRO CA . 18673 1 156 . 1 1 27 27 PRO CB C 13 32.1 0.2 . 1 . . . A 27 PRO CB . 18673 1 157 . 1 1 27 27 PRO CG C 13 27.4 0.2 . 1 . . . A 27 PRO CG . 18673 1 158 . 1 1 27 27 PRO CD C 13 50.7 0.2 . 1 . . . A 27 PRO CD . 18673 1 159 . 1 1 28 28 SER H H 1 8.58 0.02 . 1 . . . A 28 SER H . 18673 1 160 . 1 1 28 28 SER HA H 1 4.48 0.02 . 1 . . . A 28 SER HA . 18673 1 161 . 1 1 28 28 SER C C 13 175.0 0.2 . 1 . . . A 28 SER C . 18673 1 162 . 1 1 28 28 SER CA C 13 58.3 0.2 . 1 . . . A 28 SER CA . 18673 1 163 . 1 1 28 28 SER CB C 13 63.9 0.2 . 1 . . . A 28 SER CB . 18673 1 164 . 1 1 28 28 SER N N 15 116.3 0.2 . 1 . . . A 28 SER N . 18673 1 165 . 1 1 29 29 SER H H 1 8.51 0.02 . 1 . . . A 29 SER H . 18673 1 166 . 1 1 29 29 SER HA H 1 4.56 0.02 . 1 . . . A 29 SER HA . 18673 1 167 . 1 1 29 29 SER C C 13 175.0 0.2 . 1 . . . A 29 SER C . 18673 1 168 . 1 1 29 29 SER CA C 13 58.3 0.2 . 1 . . . A 29 SER CA . 18673 1 169 . 1 1 29 29 SER CB C 13 63.8 0.2 . 1 . . . A 29 SER CB . 18673 1 170 . 1 1 29 29 SER N N 15 117.7 0.2 . 1 . . . A 29 SER N . 18673 1 171 . 1 1 30 30 SER H H 1 8.50 0.02 . 1 . . . A 30 SER H . 18673 1 172 . 1 1 30 30 SER CA C 13 58.4 0.2 . 1 . . . A 30 SER CA . 18673 1 173 . 1 1 30 30 SER CB C 13 63.9 0.2 . 1 . . . A 30 SER CB . 18673 1 174 . 1 1 30 30 SER N N 15 117.6 0.2 . 1 . . . A 30 SER N . 18673 1 175 . 1 1 32 32 ASP HA H 1 4.66 0.02 . 1 . . . A 32 ASP HA . 18673 1 176 . 1 1 32 32 ASP HB2 H 1 2.82 0.02 . 2 . . . A 32 ASP HB2 . 18673 1 177 . 1 1 32 32 ASP HB3 H 1 2.64 0.02 . 2 . . . A 32 ASP HB3 . 18673 1 178 . 1 1 32 32 ASP C C 13 175.7 0.2 . 1 . . . A 32 ASP C . 18673 1 179 . 1 1 32 32 ASP CA C 13 54.0 0.2 . 1 . . . A 32 ASP CA . 18673 1 180 . 1 1 32 32 ASP CB C 13 40.6 0.2 . 1 . . . A 32 ASP CB . 18673 1 181 . 1 1 33 33 VAL H H 1 7.93 0.02 . 1 . . . A 33 VAL H . 18673 1 182 . 1 1 33 33 VAL HA H 1 4.10 0.02 . 1 . . . A 33 VAL HA . 18673 1 183 . 1 1 33 33 VAL HB H 1 1.86 0.02 . 1 . . . A 33 VAL HB . 18673 1 184 . 1 1 33 33 VAL HG11 H 1 0.77 0.02 . 2 . . . A 33 VAL HG11 . 18673 1 185 . 1 1 33 33 VAL HG12 H 1 0.77 0.02 . 2 . . . A 33 VAL HG12 . 18673 1 186 . 1 1 33 33 VAL HG13 H 1 0.77 0.02 . 2 . . . A 33 VAL HG13 . 18673 1 187 . 1 1 33 33 VAL HG21 H 1 0.80 0.02 . 2 . . . A 33 VAL HG21 . 18673 1 188 . 1 1 33 33 VAL HG22 H 1 0.80 0.02 . 2 . . . A 33 VAL HG22 . 18673 1 189 . 1 1 33 33 VAL HG23 H 1 0.80 0.02 . 2 . . . A 33 VAL HG23 . 18673 1 190 . 1 1 33 33 VAL C C 13 175.0 0.2 . 1 . . . A 33 VAL C . 18673 1 191 . 1 1 33 33 VAL CA C 13 61.7 0.2 . 1 . . . A 33 VAL CA . 18673 1 192 . 1 1 33 33 VAL CB C 13 34.0 0.2 . 1 . . . A 33 VAL CB . 18673 1 193 . 1 1 33 33 VAL CG1 C 13 21.3 0.2 . 2 . . . A 33 VAL CG1 . 18673 1 194 . 1 1 33 33 VAL CG2 C 13 20.3 0.2 . 2 . . . A 33 VAL CG2 . 18673 1 195 . 1 1 33 33 VAL N N 15 119.6 0.2 . 1 . . . A 33 VAL N . 18673 1 196 . 1 1 34 34 THR H H 1 9.01 0.02 . 1 . . . A 34 THR H . 18673 1 197 . 1 1 34 34 THR HA H 1 4.59 0.02 . 1 . . . A 34 THR HA . 18673 1 198 . 1 1 34 34 THR HB H 1 3.98 0.02 . 1 . . . A 34 THR HB . 18673 1 199 . 1 1 34 34 THR HG21 H 1 1.24 0.02 . 1 . . . A 34 THR HG21 . 18673 1 200 . 1 1 34 34 THR HG22 H 1 1.24 0.02 . 1 . . . A 34 THR HG22 . 18673 1 201 . 1 1 34 34 THR HG23 H 1 1.24 0.02 . 1 . . . A 34 THR HG23 . 18673 1 202 . 1 1 34 34 THR C C 13 172.3 0.2 . 1 . . . A 34 THR C . 18673 1 203 . 1 1 34 34 THR CA C 13 62.1 0.2 . 1 . . . A 34 THR CA . 18673 1 204 . 1 1 34 34 THR CB C 13 71.3 0.2 . 1 . . . A 34 THR CB . 18673 1 205 . 1 1 34 34 THR CG2 C 13 21.0 0.2 . 1 . . . A 34 THR CG2 . 18673 1 206 . 1 1 34 34 THR N N 15 123.8 0.2 . 1 . . . A 34 THR N . 18673 1 207 . 1 1 35 35 THR H H 1 8.25 0.02 . 1 . . . A 35 THR H . 18673 1 208 . 1 1 35 35 THR HA H 1 5.27 0.02 . 1 . . . A 35 THR HA . 18673 1 209 . 1 1 35 35 THR HB H 1 3.91 0.02 . 1 . . . A 35 THR HB . 18673 1 210 . 1 1 35 35 THR HG21 H 1 1.31 0.02 . 1 . . . A 35 THR HG21 . 18673 1 211 . 1 1 35 35 THR HG22 H 1 1.31 0.02 . 1 . . . A 35 THR HG22 . 18673 1 212 . 1 1 35 35 THR HG23 H 1 1.31 0.02 . 1 . . . A 35 THR HG23 . 18673 1 213 . 1 1 35 35 THR C C 13 174.0 0.2 . 1 . . . A 35 THR C . 18673 1 214 . 1 1 35 35 THR CA C 13 62.5 0.2 . 1 . . . A 35 THR CA . 18673 1 215 . 1 1 35 35 THR CB C 13 69.7 0.2 . 1 . . . A 35 THR CB . 18673 1 216 . 1 1 35 35 THR CG2 C 13 21.9 0.2 . 1 . . . A 35 THR CG2 . 18673 1 217 . 1 1 35 35 THR N N 15 121.9 0.2 . 1 . . . A 35 THR N . 18673 1 218 . 1 1 36 36 LEU H H 1 9.32 0.02 . 1 . . . A 36 LEU H . 18673 1 219 . 1 1 36 36 LEU HA H 1 5.17 0.02 . 1 . . . A 36 LEU HA . 18673 1 220 . 1 1 36 36 LEU HB2 H 1 1.56 0.02 . 2 . . . A 36 LEU HB2 . 18673 1 221 . 1 1 36 36 LEU HB3 H 1 1.44 0.02 . 2 . . . A 36 LEU HB3 . 18673 1 222 . 1 1 36 36 LEU HD11 H 1 0.82 0.02 . 2 . . . A 36 LEU HD11 . 18673 1 223 . 1 1 36 36 LEU HD12 H 1 0.82 0.02 . 2 . . . A 36 LEU HD12 . 18673 1 224 . 1 1 36 36 LEU HD13 H 1 0.82 0.02 . 2 . . . A 36 LEU HD13 . 18673 1 225 . 1 1 36 36 LEU HD21 H 1 0.82 0.02 . 2 . . . A 36 LEU HD21 . 18673 1 226 . 1 1 36 36 LEU HD22 H 1 0.82 0.02 . 2 . . . A 36 LEU HD22 . 18673 1 227 . 1 1 36 36 LEU HD23 H 1 0.82 0.02 . 2 . . . A 36 LEU HD23 . 18673 1 228 . 1 1 36 36 LEU C C 13 177.0 0.2 . 1 . . . A 36 LEU C . 18673 1 229 . 1 1 36 36 LEU CA C 13 53.2 0.2 . 1 . . . A 36 LEU CA . 18673 1 230 . 1 1 36 36 LEU CB C 13 45.9 0.2 . 1 . . . A 36 LEU CB . 18673 1 231 . 1 1 36 36 LEU CD1 C 13 23.0 0.2 . 2 . . . A 36 LEU CD1 . 18673 1 232 . 1 1 36 36 LEU CD2 C 13 23.0 0.2 . 2 . . . A 36 LEU CD2 . 18673 1 233 . 1 1 36 36 LEU N N 15 124.3 0.2 . 1 . . . A 36 LEU N . 18673 1 234 . 1 1 37 37 CYS H H 1 9.07 0.02 . 1 . . . A 37 CYS H . 18673 1 235 . 1 1 37 37 CYS HA H 1 5.17 0.02 . 1 . . . A 37 CYS HA . 18673 1 236 . 1 1 37 37 CYS HB2 H 1 2.73 0.02 . 2 . . . A 37 CYS HB2 . 18673 1 237 . 1 1 37 37 CYS HB3 H 1 2.19 0.02 . 2 . . . A 37 CYS HB3 . 18673 1 238 . 1 1 37 37 CYS C C 13 174.0 0.2 . 1 . . . A 37 CYS C . 18673 1 239 . 1 1 37 37 CYS CA C 13 57.8 0.2 . 1 . . . A 37 CYS CA . 18673 1 240 . 1 1 37 37 CYS CB C 13 28.4 0.2 . 1 . . . A 37 CYS CB . 18673 1 241 . 1 1 37 37 CYS N N 15 119.6 0.2 . 1 . . . A 37 CYS N . 18673 1 242 . 1 1 38 38 TYR H H 1 8.10 0.02 . 1 . . . A 38 TYR H . 18673 1 243 . 1 1 38 38 TYR HA H 1 5.93 0.02 . 1 . . . A 38 TYR HA . 18673 1 244 . 1 1 38 38 TYR HB2 H 1 2.71 0.02 . 2 . . . A 38 TYR HB2 . 18673 1 245 . 1 1 38 38 TYR HB3 H 1 2.59 0.02 . 2 . . . A 38 TYR HB3 . 18673 1 246 . 1 1 38 38 TYR HD1 H 1 6.80 0.02 . 3 . . . A 38 TYR HD1 . 18673 1 247 . 1 1 38 38 TYR HD2 H 1 6.80 0.02 . 3 . . . A 38 TYR HD2 . 18673 1 248 . 1 1 38 38 TYR HE1 H 1 6.61 0.02 . 3 . . . A 38 TYR HE1 . 18673 1 249 . 1 1 38 38 TYR HE2 H 1 6.61 0.02 . 3 . . . A 38 TYR HE2 . 18673 1 250 . 1 1 38 38 TYR C C 13 173.2 0.2 . 1 . . . A 38 TYR C . 18673 1 251 . 1 1 38 38 TYR CA C 13 54.5 0.2 . 1 . . . A 38 TYR CA . 18673 1 252 . 1 1 38 38 TYR CB C 13 43.4 0.2 . 1 . . . A 38 TYR CB . 18673 1 253 . 1 1 38 38 TYR CD1 C 13 133.0 0.2 . 3 . . . A 38 TYR CD1 . 18673 1 254 . 1 1 38 38 TYR CD2 C 13 133.0 0.2 . 3 . . . A 38 TYR CD2 . 18673 1 255 . 1 1 38 38 TYR CE1 C 13 118.7 0.2 . 3 . . . A 38 TYR CE1 . 18673 1 256 . 1 1 38 38 TYR CE2 C 13 118.7 0.2 . 3 . . . A 38 TYR CE2 . 18673 1 257 . 1 1 38 38 TYR N N 15 118.9 0.2 . 1 . . . A 38 TYR N . 18673 1 258 . 1 1 39 39 ARG H H 1 8.76 0.02 . 1 . . . A 39 ARG H . 18673 1 259 . 1 1 39 39 ARG HB2 H 1 1.73 0.02 . 2 . . . A 39 ARG HB2 . 18673 1 260 . 1 1 39 39 ARG HB3 H 1 1.69 0.02 . 2 . . . A 39 ARG HB3 . 18673 1 261 . 1 1 39 39 ARG HG2 H 1 1.49 0.02 . 2 . . . A 39 ARG HG2 . 18673 1 262 . 1 1 39 39 ARG HG3 H 1 1.36 0.02 . 2 . . . A 39 ARG HG3 . 18673 1 263 . 1 1 39 39 ARG HD2 H 1 3.15 0.02 . 2 . . . A 39 ARG HD2 . 18673 1 264 . 1 1 39 39 ARG HD3 H 1 3.15 0.02 . 2 . . . A 39 ARG HD3 . 18673 1 265 . 1 1 39 39 ARG C C 13 174.6 0.2 . 1 . . . A 39 ARG C . 18673 1 266 . 1 1 39 39 ARG CA C 13 55.7 0.2 . 1 . . . A 39 ARG CA . 18673 1 267 . 1 1 39 39 ARG CB C 13 33.3 0.2 . 1 . . . A 39 ARG CB . 18673 1 268 . 1 1 39 39 ARG CG C 13 28.5 0.2 . 1 . . . A 39 ARG CG . 18673 1 269 . 1 1 39 39 ARG CD C 13 43.2 0.2 . 1 . . . A 39 ARG CD . 18673 1 270 . 1 1 39 39 ARG N N 15 120.5 0.2 . 1 . . . A 39 ARG N . 18673 1 271 . 1 1 40 40 VAL H H 1 9.88 0.02 . 1 . . . A 40 VAL H . 18673 1 272 . 1 1 40 40 VAL HA H 1 4.29 0.02 . 1 . . . A 40 VAL HA . 18673 1 273 . 1 1 40 40 VAL HB H 1 1.79 0.02 . 1 . . . A 40 VAL HB . 18673 1 274 . 1 1 40 40 VAL HG11 H 1 0.95 0.02 . 2 . . . A 40 VAL HG11 . 18673 1 275 . 1 1 40 40 VAL HG12 H 1 0.95 0.02 . 2 . . . A 40 VAL HG12 . 18673 1 276 . 1 1 40 40 VAL HG13 H 1 0.95 0.02 . 2 . . . A 40 VAL HG13 . 18673 1 277 . 1 1 40 40 VAL HG21 H 1 0.24 0.02 . 2 . . . A 40 VAL HG21 . 18673 1 278 . 1 1 40 40 VAL HG22 H 1 0.24 0.02 . 2 . . . A 40 VAL HG22 . 18673 1 279 . 1 1 40 40 VAL HG23 H 1 0.24 0.02 . 2 . . . A 40 VAL HG23 . 18673 1 280 . 1 1 40 40 VAL C C 13 174.7 0.2 . 1 . . . A 40 VAL C . 18673 1 281 . 1 1 40 40 VAL CA C 13 60.3 0.2 . 1 . . . A 40 VAL CA . 18673 1 282 . 1 1 40 40 VAL CB C 13 34.6 0.2 . 1 . . . A 40 VAL CB . 18673 1 283 . 1 1 40 40 VAL CG1 C 13 23.7 0.2 . 2 . . . A 40 VAL CG1 . 18673 1 284 . 1 1 40 40 VAL CG2 C 13 21.9 0.2 . 2 . . . A 40 VAL CG2 . 18673 1 285 . 1 1 40 40 VAL N N 15 127.5 0.2 . 1 . . . A 40 VAL N . 18673 1 286 . 1 1 41 41 THR H H 1 8.59 0.02 . 1 . . . A 41 THR H . 18673 1 287 . 1 1 41 41 THR HB H 1 4.20 0.02 . 1 . . . A 41 THR HB . 18673 1 288 . 1 1 41 41 THR HG21 H 1 1.08 0.02 . 1 . . . A 41 THR HG21 . 18673 1 289 . 1 1 41 41 THR HG22 H 1 1.08 0.02 . 1 . . . A 41 THR HG22 . 18673 1 290 . 1 1 41 41 THR HG23 H 1 1.08 0.02 . 1 . . . A 41 THR HG23 . 18673 1 291 . 1 1 41 41 THR C C 13 174.2 0.2 . 1 . . . A 41 THR C . 18673 1 292 . 1 1 41 41 THR CA C 13 58.9 0.2 . 1 . . . A 41 THR CA . 18673 1 293 . 1 1 41 41 THR CB C 13 71.8 0.2 . 1 . . . A 41 THR CB . 18673 1 294 . 1 1 41 41 THR CG2 C 13 22.5 0.2 . 1 . . . A 41 THR CG2 . 18673 1 295 . 1 1 41 41 THR N N 15 114.4 0.2 . 1 . . . A 41 THR N . 18673 1 296 . 1 1 42 42 GLY H H 1 8.810 0.02 . 1 . . . A 42 GLY H . 18673 1 297 . 1 1 42 42 GLY HA2 H 1 3.69 0.02 . 2 . . . A 42 GLY HA2 . 18673 1 298 . 1 1 42 42 GLY HA3 H 1 3.69 0.02 . 2 . . . A 42 GLY HA3 . 18673 1 299 . 1 1 42 42 GLY CA C 13 44.6 0.2 . 1 . . . A 42 GLY CA . 18673 1 300 . 1 1 42 42 GLY N N 15 108.2 0.2 . 1 . . . A 42 GLY N . 18673 1 301 . 1 1 43 43 LYS H H 1 8.94 0.02 . 1 . . . A 43 LYS H . 18673 1 302 . 1 1 43 43 LYS HB2 H 1 1.94 0.02 . 2 . . . A 43 LYS HB2 . 18673 1 303 . 1 1 43 43 LYS HB3 H 1 1.79 0.02 . 2 . . . A 43 LYS HB3 . 18673 1 304 . 1 1 43 43 LYS CA C 13 55.1 0.2 . 1 . . . A 43 LYS CA . 18673 1 305 . 1 1 43 43 LYS CB C 13 31.0 0.2 . 1 . . . A 43 LYS CB . 18673 1 306 . 1 1 43 43 LYS N N 15 127.3 0.2 . 1 . . . A 43 LYS N . 18673 1 307 . 1 1 44 44 VAL HA H 1 4.00 0.02 . 1 . . . A 44 VAL HA . 18673 1 308 . 1 1 44 44 VAL HB H 1 1.92 0.02 . 1 . . . A 44 VAL HB . 18673 1 309 . 1 1 44 44 VAL C C 13 174.3 0.2 . 1 . . . A 44 VAL C . 18673 1 310 . 1 1 44 44 VAL CA C 13 60.5 0.2 . 1 . . . A 44 VAL CA . 18673 1 311 . 1 1 44 44 VAL CB C 13 32.0 0.2 . 1 . . . A 44 VAL CB . 18673 1 312 . 1 1 45 45 GLN H H 1 7.87 0.02 . 1 . . . A 45 GLN H . 18673 1 313 . 1 1 45 45 GLN HB2 H 1 2.12 0.02 . 2 . . . A 45 GLN HB2 . 18673 1 314 . 1 1 45 45 GLN HB3 H 1 1.92 0.02 . 2 . . . A 45 GLN HB3 . 18673 1 315 . 1 1 45 45 GLN HG2 H 1 2.31 0.02 . 2 . . . A 45 GLN HG2 . 18673 1 316 . 1 1 45 45 GLN HG3 H 1 2.31 0.02 . 2 . . . A 45 GLN HG3 . 18673 1 317 . 1 1 45 45 GLN CA C 13 55.2 0.2 . 1 . . . A 45 GLN CA . 18673 1 318 . 1 1 45 45 GLN CB C 13 29.5 0.2 . 1 . . . A 45 GLN CB . 18673 1 319 . 1 1 45 45 GLN CG C 13 33.5 0.2 . 1 . . . A 45 GLN CG . 18673 1 320 . 1 1 45 45 GLN N N 15 120.0 0.2 . 1 . . . A 45 GLN N . 18673 1 321 . 1 1 46 46 GLY H H 1 9.06 0.02 . 1 . . . A 46 GLY H . 18673 1 322 . 1 1 46 46 GLY HA2 H 1 4.03 0.02 . 2 . . . A 46 GLY HA2 . 18673 1 323 . 1 1 46 46 GLY HA3 H 1 3.80 0.02 . 2 . . . A 46 GLY HA3 . 18673 1 324 . 1 1 46 46 GLY CA C 13 46.1 0.2 . 1 . . . A 46 GLY CA . 18673 1 325 . 1 1 46 46 GLY N N 15 111.6 0.2 . 1 . . . A 46 GLY N . 18673 1 326 . 1 1 48 48 PHE HB2 H 1 3.49 0.02 . 2 . . . A 48 PHE HB2 . 18673 1 327 . 1 1 48 48 PHE HB3 H 1 3.08 0.02 . 2 . . . A 48 PHE HB3 . 18673 1 328 . 1 1 48 48 PHE HD1 H 1 7.15 0.02 . 3 . . . A 48 PHE HD1 . 18673 1 329 . 1 1 48 48 PHE HD2 H 1 7.15 0.02 . 3 . . . A 48 PHE HD2 . 18673 1 330 . 1 1 48 48 PHE HE1 H 1 7.16 0.02 . 3 . . . A 48 PHE HE1 . 18673 1 331 . 1 1 48 48 PHE HE2 H 1 7.16 0.02 . 3 . . . A 48 PHE HE2 . 18673 1 332 . 1 1 48 48 PHE HZ H 1 6.71 0.02 . 1 . . . A 48 PHE HZ . 18673 1 333 . 1 1 48 48 PHE CB C 13 41.5 0.2 . 1 . . . A 48 PHE CB . 18673 1 334 . 1 1 48 48 PHE CE1 C 13 129.4 0.2 . 3 . . . A 48 PHE CE1 . 18673 1 335 . 1 1 48 48 PHE CE2 C 13 129.4 0.2 . 3 . . . A 48 PHE CE2 . 18673 1 336 . 1 1 48 48 PHE CZ C 13 129.5 0.2 . 1 . . . A 48 PHE CZ . 18673 1 337 . 1 1 49 49 PHE HB2 H 1 3.69 0.02 . 2 . . . A 49 PHE HB2 . 18673 1 338 . 1 1 49 49 PHE HB3 H 1 3.51 0.02 . 2 . . . A 49 PHE HB3 . 18673 1 339 . 1 1 49 49 PHE HD1 H 1 7.32 0.02 . 3 . . . A 49 PHE HD1 . 18673 1 340 . 1 1 49 49 PHE HD2 H 1 7.32 0.02 . 3 . . . A 49 PHE HD2 . 18673 1 341 . 1 1 49 49 PHE HE1 H 1 7.47 0.02 . 3 . . . A 49 PHE HE1 . 18673 1 342 . 1 1 49 49 PHE HE2 H 1 7.47 0.02 . 3 . . . A 49 PHE HE2 . 18673 1 343 . 1 1 49 49 PHE HZ H 1 7.38 0.02 . 1 . . . A 49 PHE HZ . 18673 1 344 . 1 1 49 49 PHE CB C 13 36.5 0.2 . 1 . . . A 49 PHE CB . 18673 1 345 . 1 1 49 49 PHE CD1 C 13 131.6 0.2 . 3 . . . A 49 PHE CD1 . 18673 1 346 . 1 1 49 49 PHE CD2 C 13 131.6 0.2 . 3 . . . A 49 PHE CD2 . 18673 1 347 . 1 1 49 49 PHE CE1 C 13 131.9 0.2 . 3 . . . A 49 PHE CE1 . 18673 1 348 . 1 1 49 49 PHE CE2 C 13 131.9 0.2 . 3 . . . A 49 PHE CE2 . 18673 1 349 . 1 1 49 49 PHE CZ C 13 130.0 0.2 . 1 . . . A 49 PHE CZ . 18673 1 350 . 1 1 50 50 ARG HG2 H 1 2.47 0.02 . 2 . . . A 50 ARG HG2 . 18673 1 351 . 1 1 50 50 ARG HG3 H 1 1.73 0.02 . 2 . . . A 50 ARG HG3 . 18673 1 352 . 1 1 50 50 ARG HD2 H 1 3.47 0.02 . 2 . . . A 50 ARG HD2 . 18673 1 353 . 1 1 50 50 ARG HD3 H 1 3.06 0.02 . 2 . . . A 50 ARG HD3 . 18673 1 354 . 1 1 50 50 ARG CG C 13 26.6 0.2 . 1 . . . A 50 ARG CG . 18673 1 355 . 1 1 50 50 ARG CD C 13 43.0 0.2 . 1 . . . A 50 ARG CD . 18673 1 356 . 1 1 52 52 TYR HA H 1 3.86 0.02 . 1 . . . A 52 TYR HA . 18673 1 357 . 1 1 52 52 TYR HB2 H 1 3.01 0.02 . 2 . . . A 52 TYR HB2 . 18673 1 358 . 1 1 52 52 TYR HB3 H 1 2.82 0.02 . 2 . . . A 52 TYR HB3 . 18673 1 359 . 1 1 52 52 TYR HD1 H 1 7.60 0.02 . 3 . . . A 52 TYR HD1 . 18673 1 360 . 1 1 52 52 TYR HD2 H 1 7.60 0.02 . 3 . . . A 52 TYR HD2 . 18673 1 361 . 1 1 52 52 TYR HE1 H 1 6.87 0.02 . 3 . . . A 52 TYR HE1 . 18673 1 362 . 1 1 52 52 TYR HE2 H 1 6.87 0.02 . 3 . . . A 52 TYR HE2 . 18673 1 363 . 1 1 52 52 TYR C C 13 177.4 0.2 . 1 . . . A 52 TYR C . 18673 1 364 . 1 1 52 52 TYR CA C 13 63.0 0.2 . 1 . . . A 52 TYR CA . 18673 1 365 . 1 1 52 52 TYR CB C 13 38.0 0.2 . 1 . . . A 52 TYR CB . 18673 1 366 . 1 1 52 52 TYR CD1 C 13 133.3 0.2 . 3 . . . A 52 TYR CD1 . 18673 1 367 . 1 1 52 52 TYR CD2 C 13 133.3 0.2 . 3 . . . A 52 TYR CD2 . 18673 1 368 . 1 1 52 52 TYR CE1 C 13 118.1 0.2 . 3 . . . A 52 TYR CE1 . 18673 1 369 . 1 1 52 52 TYR CE2 C 13 118.1 0.2 . 3 . . . A 52 TYR CE2 . 18673 1 370 . 1 1 53 53 THR H H 1 8.04 0.02 . 1 . . . A 53 THR H . 18673 1 371 . 1 1 53 53 THR HA H 1 3.72 0.02 . 1 . . . A 53 THR HA . 18673 1 372 . 1 1 53 53 THR HB H 1 4.46 0.02 . 1 . . . A 53 THR HB . 18673 1 373 . 1 1 53 53 THR HG21 H 1 1.49 0.02 . 1 . . . A 53 THR HG21 . 18673 1 374 . 1 1 53 53 THR HG22 H 1 1.49 0.02 . 1 . . . A 53 THR HG22 . 18673 1 375 . 1 1 53 53 THR HG23 H 1 1.49 0.02 . 1 . . . A 53 THR HG23 . 18673 1 376 . 1 1 53 53 THR C C 13 175.1 0.2 . 1 . . . A 53 THR C . 18673 1 377 . 1 1 53 53 THR CA C 13 66.9 0.2 . 1 . . . A 53 THR CA . 18673 1 378 . 1 1 53 53 THR CB C 13 68.3 0.2 . 1 . . . A 53 THR CB . 18673 1 379 . 1 1 53 53 THR CG2 C 13 22.4 0.2 . 1 . . . A 53 THR CG2 . 18673 1 380 . 1 1 53 53 THR N N 15 119.1 0.2 . 1 . . . A 53 THR N . 18673 1 381 . 1 1 54 54 LYS H H 1 8.15 0.02 . 1 . . . A 54 LYS H . 18673 1 382 . 1 1 54 54 LYS C C 13 176.5 0.2 . 1 . . . A 54 LYS C . 18673 1 383 . 1 1 54 54 LYS CA C 13 59.4 0.2 . 1 . . . A 54 LYS CA . 18673 1 384 . 1 1 54 54 LYS CB C 13 31.5 0.2 . 1 . . . A 54 LYS CB . 18673 1 385 . 1 1 54 54 LYS N N 15 121.1 0.2 . 1 . . . A 54 LYS N . 18673 1 386 . 1 1 55 55 LYS H H 1 7.67 0.02 . 1 . . . A 55 LYS H . 18673 1 387 . 1 1 55 55 LYS HA H 1 3.98 0.02 . 1 . . . A 55 LYS HA . 18673 1 388 . 1 1 55 55 LYS HB2 H 1 1.77 0.02 . 2 . . . A 55 LYS HB2 . 18673 1 389 . 1 1 55 55 LYS HB3 H 1 1.69 0.02 . 2 . . . A 55 LYS HB3 . 18673 1 390 . 1 1 55 55 LYS HG2 H 1 1.40 0.02 . 2 . . . A 55 LYS HG2 . 18673 1 391 . 1 1 55 55 LYS HG3 H 1 1.40 0.02 . 2 . . . A 55 LYS HG3 . 18673 1 392 . 1 1 55 55 LYS HD2 H 1 1.43 0.02 . 2 . . . A 55 LYS HD2 . 18673 1 393 . 1 1 55 55 LYS HD3 H 1 1.43 0.02 . 2 . . . A 55 LYS HD3 . 18673 1 394 . 1 1 55 55 LYS C C 13 179.4 0.2 . 1 . . . A 55 LYS C . 18673 1 395 . 1 1 55 55 LYS CA C 13 59.6 0.2 . 1 . . . A 55 LYS CA . 18673 1 396 . 1 1 55 55 LYS CB C 13 32.1 0.2 . 1 . . . A 55 LYS CB . 18673 1 397 . 1 1 55 55 LYS CG C 13 24.3 0.2 . 1 . . . A 55 LYS CG . 18673 1 398 . 1 1 55 55 LYS CD C 13 29.3 0.2 . 1 . . . A 55 LYS CD . 18673 1 399 . 1 1 55 55 LYS CE C 13 41.8 0.2 . 1 . . . A 55 LYS CE . 18673 1 400 . 1 1 55 55 LYS N N 15 118.0 0.2 . 1 . . . A 55 LYS N . 18673 1 401 . 1 1 56 56 GLU H H 1 7.44 0.02 . 1 . . . A 56 GLU H . 18673 1 402 . 1 1 56 56 GLU HA H 1 3.77 0.02 . 1 . . . A 56 GLU HA . 18673 1 403 . 1 1 56 56 GLU HB2 H 1 1.29 0.02 . 2 . . . A 56 GLU HB2 . 18673 1 404 . 1 1 56 56 GLU HB3 H 1 1.13 0.02 . 2 . . . A 56 GLU HB3 . 18673 1 405 . 1 1 56 56 GLU HG2 H 1 1.69 0.02 . 2 . . . A 56 GLU HG2 . 18673 1 406 . 1 1 56 56 GLU HG3 H 1 1.63 0.02 . 2 . . . A 56 GLU HG3 . 18673 1 407 . 1 1 56 56 GLU C C 13 178.4 0.2 . 1 . . . A 56 GLU C . 18673 1 408 . 1 1 56 56 GLU CA C 13 58.6 0.2 . 1 . . . A 56 GLU CA . 18673 1 409 . 1 1 56 56 GLU CB C 13 28.3 0.2 . 1 . . . A 56 GLU CB . 18673 1 410 . 1 1 56 56 GLU CG C 13 33.8 0.2 . 1 . . . A 56 GLU CG . 18673 1 411 . 1 1 56 56 GLU N N 15 120.0 0.2 . 1 . . . A 56 GLU N . 18673 1 412 . 1 1 57 57 ALA H H 1 7.97 0.02 . 1 . . . A 57 ALA H . 18673 1 413 . 1 1 57 57 ALA HA H 1 3.43 0.02 . 1 . . . A 57 ALA HA . 18673 1 414 . 1 1 57 57 ALA HB1 H 1 0.17 0.02 . 1 . . . A 57 ALA HB1 . 18673 1 415 . 1 1 57 57 ALA HB2 H 1 0.17 0.02 . 1 . . . A 57 ALA HB2 . 18673 1 416 . 1 1 57 57 ALA HB3 H 1 0.17 0.02 . 1 . . . A 57 ALA HB3 . 18673 1 417 . 1 1 57 57 ALA C C 13 180.3 0.2 . 1 . . . A 57 ALA C . 18673 1 418 . 1 1 57 57 ALA CA C 13 55.5 0.2 . 1 . . . A 57 ALA CA . 18673 1 419 . 1 1 57 57 ALA CB C 13 17.3 0.2 . 1 . . . A 57 ALA CB . 18673 1 420 . 1 1 57 57 ALA N N 15 119.3 0.2 . 1 . . . A 57 ALA N . 18673 1 421 . 1 1 58 58 ASP H H 1 8.85 0.02 . 1 . . . A 58 ASP H . 18673 1 422 . 1 1 58 58 ASP HA H 1 4.00 0.02 . 1 . . . A 58 ASP HA . 18673 1 423 . 1 1 58 58 ASP HB2 H 1 2.68 0.02 . 2 . . . A 58 ASP HB2 . 18673 1 424 . 1 1 58 58 ASP HB3 H 1 2.59 0.02 . 2 . . . A 58 ASP HB3 . 18673 1 425 . 1 1 58 58 ASP CA C 13 56.7 0.2 . 1 . . . A 58 ASP CA . 18673 1 426 . 1 1 58 58 ASP CB C 13 39.1 0.2 . 1 . . . A 58 ASP CB . 18673 1 427 . 1 1 58 58 ASP N N 15 117.2 0.2 . 1 . . . A 58 ASP N . 18673 1 428 . 1 1 59 59 ALA H H 1 7.81 0.02 . 1 . . . A 59 ALA H . 18673 1 429 . 1 1 59 59 ALA HA H 1 4.11 0.02 . 1 . . . A 59 ALA HA . 18673 1 430 . 1 1 59 59 ALA HB1 H 1 1.45 0.02 . 1 . . . A 59 ALA HB1 . 18673 1 431 . 1 1 59 59 ALA HB2 H 1 1.45 0.02 . 1 . . . A 59 ALA HB2 . 18673 1 432 . 1 1 59 59 ALA HB3 H 1 1.45 0.02 . 1 . . . A 59 ALA HB3 . 18673 1 433 . 1 1 59 59 ALA C C 13 179.6 0.2 . 1 . . . A 59 ALA C . 18673 1 434 . 1 1 59 59 ALA CA C 13 54.8 0.2 . 1 . . . A 59 ALA CA . 18673 1 435 . 1 1 59 59 ALA CB C 13 17.8 0.2 . 1 . . . A 59 ALA CB . 18673 1 436 . 1 1 59 59 ALA N N 15 123.8 0.2 . 1 . . . A 59 ALA N . 18673 1 437 . 1 1 60 60 LEU H H 1 7.41 0.02 . 1 . . . A 60 LEU H . 18673 1 438 . 1 1 60 60 LEU HA H 1 4.32 0.02 . 1 . . . A 60 LEU HA . 18673 1 439 . 1 1 60 60 LEU HB2 H 1 1.61 0.02 . 2 . . . A 60 LEU HB2 . 18673 1 440 . 1 1 60 60 LEU HB3 H 1 1.55 0.02 . 2 . . . A 60 LEU HB3 . 18673 1 441 . 1 1 60 60 LEU HD11 H 1 0.89 0.02 . 2 . . . A 60 LEU HD11 . 18673 1 442 . 1 1 60 60 LEU HD12 H 1 0.89 0.02 . 2 . . . A 60 LEU HD12 . 18673 1 443 . 1 1 60 60 LEU HD13 H 1 0.89 0.02 . 2 . . . A 60 LEU HD13 . 18673 1 444 . 1 1 60 60 LEU HD21 H 1 0.89 0.02 . 2 . . . A 60 LEU HD21 . 18673 1 445 . 1 1 60 60 LEU HD22 H 1 0.89 0.02 . 2 . . . A 60 LEU HD22 . 18673 1 446 . 1 1 60 60 LEU HD23 H 1 0.89 0.02 . 2 . . . A 60 LEU HD23 . 18673 1 447 . 1 1 60 60 LEU C C 13 175.0 0.2 . 1 . . . A 60 LEU C . 18673 1 448 . 1 1 60 60 LEU CA C 13 54.2 0.2 . 1 . . . A 60 LEU CA . 18673 1 449 . 1 1 60 60 LEU CB C 13 44.0 0.2 . 1 . . . A 60 LEU CB . 18673 1 450 . 1 1 60 60 LEU CD1 C 13 22.4 0.2 . 2 . . . A 60 LEU CD1 . 18673 1 451 . 1 1 60 60 LEU CD2 C 13 22.4 0.2 . 2 . . . A 60 LEU CD2 . 18673 1 452 . 1 1 60 60 LEU N N 15 117.9 0.2 . 1 . . . A 60 LEU N . 18673 1 453 . 1 1 61 61 SER H H 1 7.75 0.02 . 1 . . . A 61 SER H . 18673 1 454 . 1 1 61 61 SER HA H 1 4.05 0.02 . 1 . . . A 61 SER HA . 18673 1 455 . 1 1 61 61 SER HB2 H 1 4.13 0.02 . 2 . . . A 61 SER HB2 . 18673 1 456 . 1 1 61 61 SER HB3 H 1 4.05 0.02 . 2 . . . A 61 SER HB3 . 18673 1 457 . 1 1 61 61 SER C C 13 173.8 0.2 . 1 . . . A 61 SER C . 18673 1 458 . 1 1 61 61 SER CA C 13 59.2 0.2 . 1 . . . A 61 SER CA . 18673 1 459 . 1 1 61 61 SER CB C 13 61.4 0.2 . 1 . . . A 61 SER CB . 18673 1 460 . 1 1 61 61 SER N N 15 112.2 0.2 . 1 . . . A 61 SER N . 18673 1 461 . 1 1 62 62 LEU H H 1 8.16 0.02 . 1 . . . A 62 LEU H . 18673 1 462 . 1 1 62 62 LEU HB2 H 1 1.16 0.02 . 2 . . . A 62 LEU HB2 . 18673 1 463 . 1 1 62 62 LEU HB3 H 1 1.16 0.02 . 2 . . . A 62 LEU HB3 . 18673 1 464 . 1 1 62 62 LEU HG H 1 0.47 0.02 . 1 . . . A 62 LEU HG . 18673 1 465 . 1 1 62 62 LEU HD11 H 1 0.98 0.02 . 2 . . . A 62 LEU HD11 . 18673 1 466 . 1 1 62 62 LEU HD12 H 1 0.98 0.02 . 2 . . . A 62 LEU HD12 . 18673 1 467 . 1 1 62 62 LEU HD13 H 1 0.98 0.02 . 2 . . . A 62 LEU HD13 . 18673 1 468 . 1 1 62 62 LEU HD21 H 1 0.72 0.02 . 2 . . . A 62 LEU HD21 . 18673 1 469 . 1 1 62 62 LEU HD22 H 1 0.72 0.02 . 2 . . . A 62 LEU HD22 . 18673 1 470 . 1 1 62 62 LEU HD23 H 1 0.72 0.02 . 2 . . . A 62 LEU HD23 . 18673 1 471 . 1 1 62 62 LEU C C 13 176.2 0.2 . 1 . . . A 62 LEU C . 18673 1 472 . 1 1 62 62 LEU CA C 13 53.2 0.2 . 1 . . . A 62 LEU CA . 18673 1 473 . 1 1 62 62 LEU CB C 13 43.4 0.2 . 1 . . . A 62 LEU CB . 18673 1 474 . 1 1 62 62 LEU CG C 13 27.5 0.2 . 1 . . . A 62 LEU CG . 18673 1 475 . 1 1 62 62 LEU CD1 C 13 26.4 0.2 . 2 . . . A 62 LEU CD1 . 18673 1 476 . 1 1 62 62 LEU CD2 C 13 24.0 0.2 . 2 . . . A 62 LEU CD2 . 18673 1 477 . 1 1 62 62 LEU N N 15 118.2 0.2 . 1 . . . A 62 LEU N . 18673 1 478 . 1 1 63 63 VAL H H 1 8.13 0.02 . 1 . . . A 63 VAL H . 18673 1 479 . 1 1 63 63 VAL HB H 1 2.13 0.02 . 1 . . . A 63 VAL HB . 18673 1 480 . 1 1 63 63 VAL HG11 H 1 0.73 0.02 . 2 . . . A 63 VAL HG11 . 18673 1 481 . 1 1 63 63 VAL HG12 H 1 0.73 0.02 . 2 . . . A 63 VAL HG12 . 18673 1 482 . 1 1 63 63 VAL HG13 H 1 0.73 0.02 . 2 . . . A 63 VAL HG13 . 18673 1 483 . 1 1 63 63 VAL HG21 H 1 0.83 0.02 . 2 . . . A 63 VAL HG21 . 18673 1 484 . 1 1 63 63 VAL HG22 H 1 0.83 0.02 . 2 . . . A 63 VAL HG22 . 18673 1 485 . 1 1 63 63 VAL HG23 H 1 0.83 0.02 . 2 . . . A 63 VAL HG23 . 18673 1 486 . 1 1 63 63 VAL C C 13 174.9 0.2 . 1 . . . A 63 VAL C . 18673 1 487 . 1 1 63 63 VAL CA C 13 59.0 0.2 . 1 . . . A 63 VAL CA . 18673 1 488 . 1 1 63 63 VAL CB C 13 34.2 0.2 . 1 . . . A 63 VAL CB . 18673 1 489 . 1 1 63 63 VAL CG1 C 13 20.9 0.2 . 2 . . . A 63 VAL CG1 . 18673 1 490 . 1 1 63 63 VAL CG2 C 13 19.1 0.2 . 2 . . . A 63 VAL CG2 . 18673 1 491 . 1 1 63 63 VAL N N 15 109.6 0.2 . 1 . . . A 63 VAL N . 18673 1 492 . 1 1 64 64 GLY H H 1 8.40 0.02 . 1 . . . A 64 GLY H . 18673 1 493 . 1 1 64 64 GLY HA2 H 1 5.27 0.02 . 2 . . . A 64 GLY HA2 . 18673 1 494 . 1 1 64 64 GLY HA3 H 1 3.16 0.02 . 2 . . . A 64 GLY HA3 . 18673 1 495 . 1 1 64 64 GLY C C 13 172.6 0.2 . 1 . . . A 64 GLY C . 18673 1 496 . 1 1 64 64 GLY CA C 13 43.5 0.2 . 1 . . . A 64 GLY CA . 18673 1 497 . 1 1 64 64 GLY N N 15 104.6 0.2 . 1 . . . A 64 GLY N . 18673 1 498 . 1 1 65 65 TYR H H 1 8.82 0.02 . 1 . . . A 65 TYR H . 18673 1 499 . 1 1 65 65 TYR HB2 H 1 3.18 0.02 . 2 . . . A 65 TYR HB2 . 18673 1 500 . 1 1 65 65 TYR HB3 H 1 2.84 0.02 . 2 . . . A 65 TYR HB3 . 18673 1 501 . 1 1 65 65 TYR HD1 H 1 6.69 0.02 . 3 . . . A 65 TYR HD1 . 18673 1 502 . 1 1 65 65 TYR HD2 H 1 6.69 0.02 . 3 . . . A 65 TYR HD2 . 18673 1 503 . 1 1 65 65 TYR HE1 H 1 6.61 0.02 . 3 . . . A 65 TYR HE1 . 18673 1 504 . 1 1 65 65 TYR HE2 H 1 6.61 0.02 . 3 . . . A 65 TYR HE2 . 18673 1 505 . 1 1 65 65 TYR CA C 13 56.3 0.2 . 1 . . . A 65 TYR CA . 18673 1 506 . 1 1 65 65 TYR CB C 13 40.4 0.2 . 1 . . . A 65 TYR CB . 18673 1 507 . 1 1 65 65 TYR CD1 C 13 133.0 0.2 . 3 . . . A 65 TYR CD1 . 18673 1 508 . 1 1 65 65 TYR CD2 C 13 133.0 0.2 . 3 . . . A 65 TYR CD2 . 18673 1 509 . 1 1 65 65 TYR CE1 C 13 118.5 0.2 . 3 . . . A 65 TYR CE1 . 18673 1 510 . 1 1 65 65 TYR CE2 C 13 118.5 0.2 . 3 . . . A 65 TYR CE2 . 18673 1 511 . 1 1 65 65 TYR N N 15 119.5 0.2 . 1 . . . A 65 TYR N . 18673 1 512 . 1 1 66 66 VAL H H 1 8.64 0.02 . 1 . . . A 66 VAL H . 18673 1 513 . 1 1 66 66 VAL HA H 1 5.21 0.02 . 1 . . . A 66 VAL HA . 18673 1 514 . 1 1 66 66 VAL HB H 1 2.62 0.02 . 1 . . . A 66 VAL HB . 18673 1 515 . 1 1 66 66 VAL HG11 H 1 1.46 0.02 . 2 . . . A 66 VAL HG11 . 18673 1 516 . 1 1 66 66 VAL HG12 H 1 1.46 0.02 . 2 . . . A 66 VAL HG12 . 18673 1 517 . 1 1 66 66 VAL HG13 H 1 1.46 0.02 . 2 . . . A 66 VAL HG13 . 18673 1 518 . 1 1 66 66 VAL HG21 H 1 1.33 0.02 . 2 . . . A 66 VAL HG21 . 18673 1 519 . 1 1 66 66 VAL HG22 H 1 1.33 0.02 . 2 . . . A 66 VAL HG22 . 18673 1 520 . 1 1 66 66 VAL HG23 H 1 1.33 0.02 . 2 . . . A 66 VAL HG23 . 18673 1 521 . 1 1 66 66 VAL C C 13 171.5 0.2 . 1 . . . A 66 VAL C . 18673 1 522 . 1 1 66 66 VAL CA C 13 59.6 0.2 . 1 . . . A 66 VAL CA . 18673 1 523 . 1 1 66 66 VAL CB C 13 35.5 0.2 . 1 . . . A 66 VAL CB . 18673 1 524 . 1 1 66 66 VAL CG1 C 13 24.0 0.2 . 2 . . . A 66 VAL CG1 . 18673 1 525 . 1 1 66 66 VAL CG2 C 13 21.4 0.2 . 2 . . . A 66 VAL CG2 . 18673 1 526 . 1 1 66 66 VAL N N 15 120.4 0.2 . 1 . . . A 66 VAL N . 18673 1 527 . 1 1 67 67 THR H H 1 9.50 0.02 . 1 . . . A 67 THR H . 18673 1 528 . 1 1 67 67 THR HB H 1 4.03 0.02 . 1 . . . A 67 THR HB . 18673 1 529 . 1 1 67 67 THR HG21 H 1 1.21 0.02 . 1 . . . A 67 THR HG21 . 18673 1 530 . 1 1 67 67 THR HG22 H 1 1.21 0.02 . 1 . . . A 67 THR HG22 . 18673 1 531 . 1 1 67 67 THR HG23 H 1 1.21 0.02 . 1 . . . A 67 THR HG23 . 18673 1 532 . 1 1 67 67 THR C C 13 170.9 0.2 . 1 . . . A 67 THR C . 18673 1 533 . 1 1 67 67 THR CA C 13 60.9 0.2 . 1 . . . A 67 THR CA . 18673 1 534 . 1 1 67 67 THR CB C 13 72.3 0.2 . 1 . . . A 67 THR CB . 18673 1 535 . 1 1 67 67 THR CG2 C 13 19.3 0.2 . 1 . . . A 67 THR CG2 . 18673 1 536 . 1 1 67 67 THR N N 15 123.1 0.2 . 1 . . . A 67 THR N . 18673 1 537 . 1 1 68 68 ASN H H 1 8.59 0.02 . 1 . . . A 68 ASN H . 18673 1 538 . 1 1 68 68 ASN HA H 1 5.29 0.02 . 1 . . . A 68 ASN HA . 18673 1 539 . 1 1 68 68 ASN HB2 H 1 2.87 0.02 . 2 . . . A 68 ASN HB2 . 18673 1 540 . 1 1 68 68 ASN HB3 H 1 2.74 0.02 . 2 . . . A 68 ASN HB3 . 18673 1 541 . 1 1 68 68 ASN HD21 H 1 7.39 0.02 . 2 . . . A 68 ASN HD21 . 18673 1 542 . 1 1 68 68 ASN HD22 H 1 6.81 0.02 . 2 . . . A 68 ASN HD22 . 18673 1 543 . 1 1 68 68 ASN C C 13 175.7 0.2 . 1 . . . A 68 ASN C . 18673 1 544 . 1 1 68 68 ASN CA C 13 52.3 0.2 . 1 . . . A 68 ASN CA . 18673 1 545 . 1 1 68 68 ASN CB C 13 39.3 0.2 . 1 . . . A 68 ASN CB . 18673 1 546 . 1 1 68 68 ASN N N 15 123.4 0.2 . 1 . . . A 68 ASN N . 18673 1 547 . 1 1 68 68 ASN ND2 N 15 111.2 0.2 . 1 . . . A 68 ASN ND2 . 18673 1 548 . 1 1 69 69 ASN H H 1 8.18 0.02 . 1 . . . A 69 ASN H . 18673 1 549 . 1 1 69 69 ASN HA H 1 5.18 0.02 . 1 . . . A 69 ASN HA . 18673 1 550 . 1 1 69 69 ASN HB2 H 1 2.78 0.02 . 2 . . . A 69 ASN HB2 . 18673 1 551 . 1 1 69 69 ASN HB3 H 1 2.71 0.02 . 2 . . . A 69 ASN HB3 . 18673 1 552 . 1 1 69 69 ASN HD21 H 1 7.79 0.02 . 2 . . . A 69 ASN HD21 . 18673 1 553 . 1 1 69 69 ASN HD22 H 1 7.31 0.02 . 2 . . . A 69 ASN HD22 . 18673 1 554 . 1 1 69 69 ASN C C 13 177.4 0.2 . 1 . . . A 69 ASN C . 18673 1 555 . 1 1 69 69 ASN CA C 13 52.2 0.2 . 1 . . . A 69 ASN CA . 18673 1 556 . 1 1 69 69 ASN CB C 13 41.5 0.2 . 1 . . . A 69 ASN CB . 18673 1 557 . 1 1 69 69 ASN N N 15 116.9 0.2 . 1 . . . A 69 ASN N . 18673 1 558 . 1 1 69 69 ASN ND2 N 15 114.6 0.2 . 1 . . . A 69 ASN ND2 . 18673 1 559 . 1 1 70 70 GLU H H 1 9.27 0.02 . 1 . . . A 70 GLU H . 18673 1 560 . 1 1 70 70 GLU HA H 1 4.15 0.02 . 1 . . . A 70 GLU HA . 18673 1 561 . 1 1 70 70 GLU HB2 H 1 2.07 0.02 . 2 . . . A 70 GLU HB2 . 18673 1 562 . 1 1 70 70 GLU HB3 H 1 2.07 0.02 . 2 . . . A 70 GLU HB3 . 18673 1 563 . 1 1 70 70 GLU HG2 H 1 2.38 0.02 . 2 . . . A 70 GLU HG2 . 18673 1 564 . 1 1 70 70 GLU HG3 H 1 2.38 0.02 . 2 . . . A 70 GLU HG3 . 18673 1 565 . 1 1 70 70 GLU C C 13 176.5 0.2 . 1 . . . A 70 GLU C . 18673 1 566 . 1 1 70 70 GLU CA C 13 58.8 0.2 . 1 . . . A 70 GLU CA . 18673 1 567 . 1 1 70 70 GLU CB C 13 29.2 0.2 . 1 . . . A 70 GLU CB . 18673 1 568 . 1 1 70 70 GLU CG C 13 36.4 0.2 . 1 . . . A 70 GLU CG . 18673 1 569 . 1 1 70 70 GLU N N 15 122.7 0.2 . 1 . . . A 70 GLU N . 18673 1 570 . 1 1 71 71 ASP H H 1 7.80 0.02 . 1 . . . A 71 ASP H . 18673 1 571 . 1 1 71 71 ASP HA H 1 4.48 0.02 . 1 . . . A 71 ASP HA . 18673 1 572 . 1 1 71 71 ASP HB2 H 1 3.11 0.02 . 2 . . . A 71 ASP HB2 . 18673 1 573 . 1 1 71 71 ASP HB3 H 1 2.64 0.02 . 2 . . . A 71 ASP HB3 . 18673 1 574 . 1 1 71 71 ASP C C 13 177.4 0.2 . 1 . . . A 71 ASP C . 18673 1 575 . 1 1 71 71 ASP CA C 13 53.4 0.2 . 1 . . . A 71 ASP CA . 18673 1 576 . 1 1 71 71 ASP CB C 13 39.6 0.2 . 1 . . . A 71 ASP CB . 18673 1 577 . 1 1 71 71 ASP N N 15 116.1 0.2 . 1 . . . A 71 ASP N . 18673 1 578 . 1 1 72 72 GLY H H 1 7.95 0.02 . 1 . . . A 72 GLY H . 18673 1 579 . 1 1 72 72 GLY HA2 H 1 4.45 0.02 . 2 . . . A 72 GLY HA2 . 18673 1 580 . 1 1 72 72 GLY HA3 H 1 3.60 0.02 . 2 . . . A 72 GLY HA3 . 18673 1 581 . 1 1 72 72 GLY C C 13 174.7 0.2 . 1 . . . A 72 GLY C . 18673 1 582 . 1 1 72 72 GLY CA C 13 45.1 0.2 . 1 . . . A 72 GLY CA . 18673 1 583 . 1 1 72 72 GLY N N 15 108.0 0.2 . 1 . . . A 72 GLY N . 18673 1 584 . 1 1 73 73 SER H H 1 8.24 0.02 . 1 . . . A 73 SER H . 18673 1 585 . 1 1 73 73 SER C C 13 173.7 0.2 . 1 . . . A 73 SER C . 18673 1 586 . 1 1 73 73 SER CA C 13 58.3 0.2 . 1 . . . A 73 SER CA . 18673 1 587 . 1 1 73 73 SER CB C 13 66.1 0.2 . 1 . . . A 73 SER CB . 18673 1 588 . 1 1 73 73 SER N N 15 117.4 0.2 . 1 . . . A 73 SER N . 18673 1 589 . 1 1 74 74 VAL H H 1 8.51 0.02 . 1 . . . A 74 VAL H . 18673 1 590 . 1 1 74 74 VAL HA H 1 4.58 0.02 . 1 . . . A 74 VAL HA . 18673 1 591 . 1 1 74 74 VAL HB H 1 1.56 0.02 . 1 . . . A 74 VAL HB . 18673 1 592 . 1 1 74 74 VAL HG11 H 1 1.13 0.02 . 2 . . . A 74 VAL HG11 . 18673 1 593 . 1 1 74 74 VAL HG12 H 1 1.13 0.02 . 2 . . . A 74 VAL HG12 . 18673 1 594 . 1 1 74 74 VAL HG13 H 1 1.13 0.02 . 2 . . . A 74 VAL HG13 . 18673 1 595 . 1 1 74 74 VAL HG21 H 1 1.13 0.02 . 2 . . . A 74 VAL HG21 . 18673 1 596 . 1 1 74 74 VAL HG22 H 1 1.13 0.02 . 2 . . . A 74 VAL HG22 . 18673 1 597 . 1 1 74 74 VAL HG23 H 1 1.13 0.02 . 2 . . . A 74 VAL HG23 . 18673 1 598 . 1 1 74 74 VAL C C 13 174.9 0.2 . 1 . . . A 74 VAL C . 18673 1 599 . 1 1 74 74 VAL CA C 13 61.2 0.2 . 1 . . . A 74 VAL CA . 18673 1 600 . 1 1 74 74 VAL CB C 13 35.4 0.2 . 1 . . . A 74 VAL CB . 18673 1 601 . 1 1 74 74 VAL CG1 C 13 22.1 0.2 . 2 . . . A 74 VAL CG1 . 18673 1 602 . 1 1 74 74 VAL CG2 C 13 22.1 0.2 . 2 . . . A 74 VAL CG2 . 18673 1 603 . 1 1 74 74 VAL N N 15 119.8 0.2 . 1 . . . A 74 VAL N . 18673 1 604 . 1 1 75 75 SER H H 1 9.07 0.02 . 1 . . . A 75 SER H . 18673 1 605 . 1 1 75 75 SER HA H 1 5.13 0.02 . 1 . . . A 75 SER HA . 18673 1 606 . 1 1 75 75 SER HB2 H 1 3.59 0.02 . 2 . . . A 75 SER HB2 . 18673 1 607 . 1 1 75 75 SER HB3 H 1 3.59 0.02 . 2 . . . A 75 SER HB3 . 18673 1 608 . 1 1 75 75 SER CA C 13 57.3 0.2 . 1 . . . A 75 SER CA . 18673 1 609 . 1 1 75 75 SER CB C 13 66.9 0.2 . 1 . . . A 75 SER CB . 18673 1 610 . 1 1 75 75 SER N N 15 119.5 0.2 . 1 . . . A 75 SER N . 18673 1 611 . 1 1 76 76 GLY H H 1 7.10 0.02 . 1 . . . A 76 GLY H . 18673 1 612 . 1 1 76 76 GLY HA2 H 1 3.94 0.02 . 2 . . . A 76 GLY HA2 . 18673 1 613 . 1 1 76 76 GLY HA3 H 1 3.09 0.02 . 2 . . . A 76 GLY HA3 . 18673 1 614 . 1 1 76 76 GLY C C 13 172.2 0.2 . 1 . . . A 76 GLY C . 18673 1 615 . 1 1 76 76 GLY CA C 13 45.3 0.2 . 1 . . . A 76 GLY CA . 18673 1 616 . 1 1 76 76 GLY N N 15 101.2 0.2 . 1 . . . A 76 GLY N . 18673 1 617 . 1 1 77 77 VAL H H 1 6.65 0.02 . 1 . . . A 77 VAL H . 18673 1 618 . 1 1 77 77 VAL HA H 1 5.14 0.02 . 1 . . . A 77 VAL HA . 18673 1 619 . 1 1 77 77 VAL HB H 1 1.56 0.02 . 1 . . . A 77 VAL HB . 18673 1 620 . 1 1 77 77 VAL HG11 H 1 0.92 0.02 . 2 . . . A 77 VAL HG11 . 18673 1 621 . 1 1 77 77 VAL HG12 H 1 0.92 0.02 . 2 . . . A 77 VAL HG12 . 18673 1 622 . 1 1 77 77 VAL HG13 H 1 0.92 0.02 . 2 . . . A 77 VAL HG13 . 18673 1 623 . 1 1 77 77 VAL HG21 H 1 0.81 0.02 . 2 . . . A 77 VAL HG21 . 18673 1 624 . 1 1 77 77 VAL HG22 H 1 0.81 0.02 . 2 . . . A 77 VAL HG22 . 18673 1 625 . 1 1 77 77 VAL HG23 H 1 0.81 0.02 . 2 . . . A 77 VAL HG23 . 18673 1 626 . 1 1 77 77 VAL CA C 13 59.7 0.2 . 1 . . . A 77 VAL CA . 18673 1 627 . 1 1 77 77 VAL CB C 13 36.2 0.2 . 1 . . . A 77 VAL CB . 18673 1 628 . 1 1 77 77 VAL CG1 C 13 22.8 0.2 . 2 . . . A 77 VAL CG1 . 18673 1 629 . 1 1 77 77 VAL CG2 C 13 21.4 0.2 . 2 . . . A 77 VAL CG2 . 18673 1 630 . 1 1 77 77 VAL N N 15 121.2 0.2 . 1 . . . A 77 VAL N . 18673 1 631 . 1 1 78 78 VAL H H 1 9.36 0.02 . 1 . . . A 78 VAL H . 18673 1 632 . 1 1 78 78 VAL HA H 1 5.41 0.02 . 1 . . . A 78 VAL HA . 18673 1 633 . 1 1 78 78 VAL HB H 1 1.67 0.02 . 1 . . . A 78 VAL HB . 18673 1 634 . 1 1 78 78 VAL HG11 H 1 0.26 0.02 . 2 . . . A 78 VAL HG11 . 18673 1 635 . 1 1 78 78 VAL HG12 H 1 0.26 0.02 . 2 . . . A 78 VAL HG12 . 18673 1 636 . 1 1 78 78 VAL HG13 H 1 0.26 0.02 . 2 . . . A 78 VAL HG13 . 18673 1 637 . 1 1 78 78 VAL HG21 H 1 0.89 0.02 . 2 . . . A 78 VAL HG21 . 18673 1 638 . 1 1 78 78 VAL HG22 H 1 0.89 0.02 . 2 . . . A 78 VAL HG22 . 18673 1 639 . 1 1 78 78 VAL HG23 H 1 0.89 0.02 . 2 . . . A 78 VAL HG23 . 18673 1 640 . 1 1 78 78 VAL C C 13 172.0 0.2 . 1 . . . A 78 VAL C . 18673 1 641 . 1 1 78 78 VAL CA C 13 59.5 0.2 . 1 . . . A 78 VAL CA . 18673 1 642 . 1 1 78 78 VAL CB C 13 35.5 0.2 . 1 . . . A 78 VAL CB . 18673 1 643 . 1 1 78 78 VAL CG1 C 13 23.2 0.2 . 2 . . . A 78 VAL CG1 . 18673 1 644 . 1 1 78 78 VAL CG2 C 13 18.8 0.2 . 2 . . . A 78 VAL CG2 . 18673 1 645 . 1 1 78 78 VAL N N 15 124.3 0.2 . 1 . . . A 78 VAL N . 18673 1 646 . 1 1 79 79 GLN H H 1 8.76 0.02 . 1 . . . A 79 GLN H . 18673 1 647 . 1 1 79 79 GLN HA H 1 5.90 0.02 . 1 . . . A 79 GLN HA . 18673 1 648 . 1 1 79 79 GLN HB2 H 1 2.22 0.02 . 2 . . . A 79 GLN HB2 . 18673 1 649 . 1 1 79 79 GLN HB3 H 1 1.92 0.02 . 2 . . . A 79 GLN HB3 . 18673 1 650 . 1 1 79 79 GLN HG2 H 1 2.01 0.02 . 2 . . . A 79 GLN HG2 . 18673 1 651 . 1 1 79 79 GLN HG3 H 1 1.74 0.02 . 2 . . . A 79 GLN HG3 . 18673 1 652 . 1 1 79 79 GLN HE21 H 1 7.99 0.02 . 2 . . . A 79 GLN HE21 . 18673 1 653 . 1 1 79 79 GLN HE22 H 1 7.67 0.02 . 2 . . . A 79 GLN HE22 . 18673 1 654 . 1 1 79 79 GLN C C 13 174.3 0.2 . 1 . . . A 79 GLN C . 18673 1 655 . 1 1 79 79 GLN CA C 13 53.8 0.2 . 1 . . . A 79 GLN CA . 18673 1 656 . 1 1 79 79 GLN CB C 13 34.6 0.2 . 1 . . . A 79 GLN CB . 18673 1 657 . 1 1 79 79 GLN CG C 13 34.8 0.2 . 1 . . . A 79 GLN CG . 18673 1 658 . 1 1 79 79 GLN N N 15 126.3 0.2 . 1 . . . A 79 GLN N . 18673 1 659 . 1 1 79 79 GLN NE2 N 15 113.8 0.2 . 1 . . . A 79 GLN NE2 . 18673 1 660 . 1 1 80 80 GLY H H 1 8.63 0.02 . 1 . . . A 80 GLY H . 18673 1 661 . 1 1 80 80 GLY CA C 13 44.8 0.2 . 1 . . . A 80 GLY CA . 18673 1 662 . 1 1 80 80 GLY N N 15 112.6 0.2 . 1 . . . A 80 GLY N . 18673 1 663 . 1 1 81 81 PRO HA H 1 4.57 0.02 . 1 . . . A 81 PRO HA . 18673 1 664 . 1 1 81 81 PRO HB2 H 1 2.59 0.02 . 2 . . . A 81 PRO HB2 . 18673 1 665 . 1 1 81 81 PRO HB3 H 1 2.06 0.02 . 2 . . . A 81 PRO HB3 . 18673 1 666 . 1 1 81 81 PRO HG2 H 1 2.24 0.02 . 2 . . . A 81 PRO HG2 . 18673 1 667 . 1 1 81 81 PRO HG3 H 1 2.06 0.02 . 2 . . . A 81 PRO HG3 . 18673 1 668 . 1 1 81 81 PRO HD2 H 1 3.81 0.02 . 2 . . . A 81 PRO HD2 . 18673 1 669 . 1 1 81 81 PRO HD3 H 1 3.49 0.02 . 2 . . . A 81 PRO HD3 . 18673 1 670 . 1 1 81 81 PRO CA C 13 63.0 0.2 . 1 . . . A 81 PRO CA . 18673 1 671 . 1 1 81 81 PRO CB C 13 32.3 0.2 . 1 . . . A 81 PRO CB . 18673 1 672 . 1 1 81 81 PRO CG C 13 28.2 0.2 . 1 . . . A 81 PRO CG . 18673 1 673 . 1 1 81 81 PRO CD C 13 50.1 0.2 . 1 . . . A 81 PRO CD . 18673 1 674 . 1 1 82 82 LYS H H 1 8.87 0.02 . 1 . . . A 82 LYS H . 18673 1 675 . 1 1 82 82 LYS HA H 1 3.79 0.02 . 1 . . . A 82 LYS HA . 18673 1 676 . 1 1 82 82 LYS HB2 H 1 2.04 0.02 . 2 . . . A 82 LYS HB2 . 18673 1 677 . 1 1 82 82 LYS HB3 H 1 1.85 0.02 . 2 . . . A 82 LYS HB3 . 18673 1 678 . 1 1 82 82 LYS HD2 H 1 1.44 0.02 . 2 . . . A 82 LYS HD2 . 18673 1 679 . 1 1 82 82 LYS HD3 H 1 1.44 0.02 . 2 . . . A 82 LYS HD3 . 18673 1 680 . 1 1 82 82 LYS C C 13 177.7 0.2 . 1 . . . A 82 LYS C . 18673 1 681 . 1 1 82 82 LYS CA C 13 60.9 0.2 . 1 . . . A 82 LYS CA . 18673 1 682 . 1 1 82 82 LYS CB C 13 33.0 0.2 . 1 . . . A 82 LYS CB . 18673 1 683 . 1 1 82 82 LYS N N 15 125.5 0.2 . 1 . . . A 82 LYS N . 18673 1 684 . 1 1 83 83 GLU H H 1 9.39 0.02 . 1 . . . A 83 GLU H . 18673 1 685 . 1 1 83 83 GLU HA H 1 4.12 0.02 . 1 . . . A 83 GLU HA . 18673 1 686 . 1 1 83 83 GLU HB2 H 1 2.07 0.02 . 2 . . . A 83 GLU HB2 . 18673 1 687 . 1 1 83 83 GLU HB3 H 1 2.00 0.02 . 2 . . . A 83 GLU HB3 . 18673 1 688 . 1 1 83 83 GLU HG2 H 1 2.39 0.02 . 2 . . . A 83 GLU HG2 . 18673 1 689 . 1 1 83 83 GLU HG3 H 1 2.33 0.02 . 2 . . . A 83 GLU HG3 . 18673 1 690 . 1 1 83 83 GLU C C 13 179.6 0.2 . 1 . . . A 83 GLU C . 18673 1 691 . 1 1 83 83 GLU CA C 13 59.9 0.2 . 1 . . . A 83 GLU CA . 18673 1 692 . 1 1 83 83 GLU CB C 13 29.2 0.2 . 1 . . . A 83 GLU CB . 18673 1 693 . 1 1 83 83 GLU CG C 13 36.6 0.2 . 1 . . . A 83 GLU CG . 18673 1 694 . 1 1 83 83 GLU N N 15 116.4 0.2 . 1 . . . A 83 GLU N . 18673 1 695 . 1 1 84 84 GLN H H 1 7.32 0.02 . 1 . . . A 84 GLN H . 18673 1 696 . 1 1 84 84 GLN HA H 1 4.37 0.02 . 1 . . . A 84 GLN HA . 18673 1 697 . 1 1 84 84 GLN HB2 H 1 2.20 0.02 . 2 . . . A 84 GLN HB2 . 18673 1 698 . 1 1 84 84 GLN HB3 H 1 2.20 0.02 . 2 . . . A 84 GLN HB3 . 18673 1 699 . 1 1 84 84 GLN HG2 H 1 2.67 0.02 . 2 . . . A 84 GLN HG2 . 18673 1 700 . 1 1 84 84 GLN HG3 H 1 2.47 0.02 . 2 . . . A 84 GLN HG3 . 18673 1 701 . 1 1 84 84 GLN HE21 H 1 7.60 0.02 . 2 . . . A 84 GLN HE21 . 18673 1 702 . 1 1 84 84 GLN HE22 H 1 6.90 0.02 . 2 . . . A 84 GLN HE22 . 18673 1 703 . 1 1 84 84 GLN CA C 13 59.1 0.2 . 1 . . . A 84 GLN CA . 18673 1 704 . 1 1 84 84 GLN CB C 13 29.6 0.2 . 1 . . . A 84 GLN CB . 18673 1 705 . 1 1 84 84 GLN CG C 13 35.6 0.2 . 1 . . . A 84 GLN CG . 18673 1 706 . 1 1 84 84 GLN N N 15 118.1 0.2 . 1 . . . A 84 GLN N . 18673 1 707 . 1 1 84 84 GLN NE2 N 15 111.9 0.2 . 1 . . . A 84 GLN NE2 . 18673 1 708 . 1 1 85 85 VAL H H 1 8.44 0.02 . 1 . . . A 85 VAL H . 18673 1 709 . 1 1 85 85 VAL HA H 1 3.44 0.02 . 1 . . . A 85 VAL HA . 18673 1 710 . 1 1 85 85 VAL HB H 1 2.03 0.02 . 1 . . . A 85 VAL HB . 18673 1 711 . 1 1 85 85 VAL HG11 H 1 0.78 0.02 . 2 . . . A 85 VAL HG11 . 18673 1 712 . 1 1 85 85 VAL HG12 H 1 0.78 0.02 . 2 . . . A 85 VAL HG12 . 18673 1 713 . 1 1 85 85 VAL HG13 H 1 0.78 0.02 . 2 . . . A 85 VAL HG13 . 18673 1 714 . 1 1 85 85 VAL HG21 H 1 0.89 0.02 . 2 . . . A 85 VAL HG21 . 18673 1 715 . 1 1 85 85 VAL HG22 H 1 0.89 0.02 . 2 . . . A 85 VAL HG22 . 18673 1 716 . 1 1 85 85 VAL HG23 H 1 0.89 0.02 . 2 . . . A 85 VAL HG23 . 18673 1 717 . 1 1 85 85 VAL C C 13 178.2 0.2 . 1 . . . A 85 VAL C . 18673 1 718 . 1 1 85 85 VAL CA C 13 67.6 0.2 . 1 . . . A 85 VAL CA . 18673 1 719 . 1 1 85 85 VAL CB C 13 31.3 0.2 . 1 . . . A 85 VAL CB . 18673 1 720 . 1 1 85 85 VAL CG1 C 13 25.1 0.2 . 2 . . . A 85 VAL CG1 . 18673 1 721 . 1 1 85 85 VAL CG2 C 13 23.0 0.2 . 2 . . . A 85 VAL CG2 . 18673 1 722 . 1 1 85 85 VAL N N 15 122.0 0.2 . 1 . . . A 85 VAL N . 18673 1 723 . 1 1 86 86 ASP H H 1 8.86 0.02 . 1 . . . A 86 ASP H . 18673 1 724 . 1 1 86 86 ASP HA H 1 4.34 0.02 . 1 . . . A 86 ASP HA . 18673 1 725 . 1 1 86 86 ASP HB2 H 1 2.81 0.02 . 2 . . . A 86 ASP HB2 . 18673 1 726 . 1 1 86 86 ASP HB3 H 1 2.56 0.02 . 2 . . . A 86 ASP HB3 . 18673 1 727 . 1 1 86 86 ASP C C 13 179.7 0.2 . 1 . . . A 86 ASP C . 18673 1 728 . 1 1 86 86 ASP CA C 13 57.7 0.2 . 1 . . . A 86 ASP CA . 18673 1 729 . 1 1 86 86 ASP CB C 13 39.9 0.2 . 1 . . . A 86 ASP CB . 18673 1 730 . 1 1 86 86 ASP N N 15 119.7 0.2 . 1 . . . A 86 ASP N . 18673 1 731 . 1 1 87 87 ALA H H 1 7.39 0.02 . 1 . . . A 87 ALA H . 18673 1 732 . 1 1 87 87 ALA HA H 1 4.16 0.02 . 1 . . . A 87 ALA HA . 18673 1 733 . 1 1 87 87 ALA HB1 H 1 1.65 0.02 . 1 . . . A 87 ALA HB1 . 18673 1 734 . 1 1 87 87 ALA HB2 H 1 1.65 0.02 . 1 . . . A 87 ALA HB2 . 18673 1 735 . 1 1 87 87 ALA HB3 H 1 1.65 0.02 . 1 . . . A 87 ALA HB3 . 18673 1 736 . 1 1 87 87 ALA C C 13 180.5 0.2 . 1 . . . A 87 ALA C . 18673 1 737 . 1 1 87 87 ALA CA C 13 55.2 0.2 . 1 . . . A 87 ALA CA . 18673 1 738 . 1 1 87 87 ALA CB C 13 17.7 0.2 . 1 . . . A 87 ALA CB . 18673 1 739 . 1 1 87 87 ALA N N 15 122.8 0.2 . 1 . . . A 87 ALA N . 18673 1 740 . 1 1 88 88 PHE H H 1 8.27 0.02 . 1 . . . A 88 PHE H . 18673 1 741 . 1 1 88 88 PHE HA H 1 3.97 0.02 . 1 . . . A 88 PHE HA . 18673 1 742 . 1 1 88 88 PHE HB2 H 1 3.39 0.02 . 2 . . . A 88 PHE HB2 . 18673 1 743 . 1 1 88 88 PHE HB3 H 1 2.86 0.02 . 2 . . . A 88 PHE HB3 . 18673 1 744 . 1 1 88 88 PHE HD1 H 1 6.59 0.02 . 3 . . . A 88 PHE HD1 . 18673 1 745 . 1 1 88 88 PHE HD2 H 1 6.59 0.02 . 3 . . . A 88 PHE HD2 . 18673 1 746 . 1 1 88 88 PHE HE1 H 1 6.75 0.02 . 3 . . . A 88 PHE HE1 . 18673 1 747 . 1 1 88 88 PHE HE2 H 1 6.75 0.02 . 3 . . . A 88 PHE HE2 . 18673 1 748 . 1 1 88 88 PHE C C 13 176.6 0.2 . 1 . . . A 88 PHE C . 18673 1 749 . 1 1 88 88 PHE CA C 13 61.7 0.2 . 1 . . . A 88 PHE CA . 18673 1 750 . 1 1 88 88 PHE CB C 13 39.2 0.2 . 1 . . . A 88 PHE CB . 18673 1 751 . 1 1 88 88 PHE CD1 C 13 131.1 0.2 . 3 . . . A 88 PHE CD1 . 18673 1 752 . 1 1 88 88 PHE CD2 C 13 131.1 0.2 . 3 . . . A 88 PHE CD2 . 18673 1 753 . 1 1 88 88 PHE CE1 C 13 134.3 0.2 . 3 . . . A 88 PHE CE1 . 18673 1 754 . 1 1 88 88 PHE CE2 C 13 134.3 0.2 . 3 . . . A 88 PHE CE2 . 18673 1 755 . 1 1 88 88 PHE N N 15 124.2 0.2 . 1 . . . A 88 PHE N . 18673 1 756 . 1 1 89 89 VAL H H 1 8.82 0.02 . 1 . . . A 89 VAL H . 18673 1 757 . 1 1 89 89 VAL HA H 1 3.30 0.02 . 1 . . . A 89 VAL HA . 18673 1 758 . 1 1 89 89 VAL HB H 1 2.27 0.02 . 1 . . . A 89 VAL HB . 18673 1 759 . 1 1 89 89 VAL HG11 H 1 1.08 0.02 . 2 . . . A 89 VAL HG11 . 18673 1 760 . 1 1 89 89 VAL HG12 H 1 1.08 0.02 . 2 . . . A 89 VAL HG12 . 18673 1 761 . 1 1 89 89 VAL HG13 H 1 1.08 0.02 . 2 . . . A 89 VAL HG13 . 18673 1 762 . 1 1 89 89 VAL HG21 H 1 1.03 0.02 . 2 . . . A 89 VAL HG21 . 18673 1 763 . 1 1 89 89 VAL HG22 H 1 1.03 0.02 . 2 . . . A 89 VAL HG22 . 18673 1 764 . 1 1 89 89 VAL HG23 H 1 1.03 0.02 . 2 . . . A 89 VAL HG23 . 18673 1 765 . 1 1 89 89 VAL C C 13 178.7 0.2 . 1 . . . A 89 VAL C . 18673 1 766 . 1 1 89 89 VAL CA C 13 67.1 0.2 . 1 . . . A 89 VAL CA . 18673 1 767 . 1 1 89 89 VAL CB C 13 31.4 0.2 . 1 . . . A 89 VAL CB . 18673 1 768 . 1 1 89 89 VAL CG1 C 13 23.5 0.2 . 2 . . . A 89 VAL CG1 . 18673 1 769 . 1 1 89 89 VAL CG2 C 13 21.9 0.2 . 2 . . . A 89 VAL CG2 . 18673 1 770 . 1 1 89 89 VAL N N 15 120.4 0.2 . 1 . . . A 89 VAL N . 18673 1 771 . 1 1 90 90 LYS H H 1 7.82 0.02 . 1 . . . A 90 LYS H . 18673 1 772 . 1 1 90 90 LYS HG2 H 1 1.56 0.02 . 2 . . . A 90 LYS HG2 . 18673 1 773 . 1 1 90 90 LYS HG3 H 1 1.33 0.02 . 2 . . . A 90 LYS HG3 . 18673 1 774 . 1 1 90 90 LYS CA C 13 60.6 0.2 . 1 . . . A 90 LYS CA . 18673 1 775 . 1 1 90 90 LYS CB C 13 32.0 0.2 . 1 . . . A 90 LYS CB . 18673 1 776 . 1 1 90 90 LYS CG C 13 25.5 0.2 . 1 . . . A 90 LYS CG . 18673 1 777 . 1 1 90 90 LYS N N 15 120.2 0.2 . 1 . . . A 90 LYS N . 18673 1 778 . 1 1 91 91 TYR H H 1 7.70 0.02 . 1 . . . A 91 TYR H . 18673 1 779 . 1 1 91 91 TYR HA H 1 4.15 0.02 . 1 . . . A 91 TYR HA . 18673 1 780 . 1 1 91 91 TYR HB2 H 1 3.08 0.02 . 2 . . . A 91 TYR HB2 . 18673 1 781 . 1 1 91 91 TYR HB3 H 1 3.08 0.02 . 2 . . . A 91 TYR HB3 . 18673 1 782 . 1 1 91 91 TYR HD1 H 1 6.48 0.02 . 3 . . . A 91 TYR HD1 . 18673 1 783 . 1 1 91 91 TYR HD2 H 1 6.48 0.02 . 3 . . . A 91 TYR HD2 . 18673 1 784 . 1 1 91 91 TYR HE1 H 1 6.20 0.02 . 3 . . . A 91 TYR HE1 . 18673 1 785 . 1 1 91 91 TYR HE2 H 1 6.20 0.02 . 3 . . . A 91 TYR HE2 . 18673 1 786 . 1 1 91 91 TYR C C 13 177.1 0.2 . 1 . . . A 91 TYR C . 18673 1 787 . 1 1 91 91 TYR CA C 13 60.7 0.2 . 1 . . . A 91 TYR CA . 18673 1 788 . 1 1 91 91 TYR CB C 13 36.1 0.2 . 1 . . . A 91 TYR CB . 18673 1 789 . 1 1 91 91 TYR CD1 C 13 133.2 0.2 . 3 . . . A 91 TYR CD1 . 18673 1 790 . 1 1 91 91 TYR CD2 C 13 133.2 0.2 . 3 . . . A 91 TYR CD2 . 18673 1 791 . 1 1 91 91 TYR CE1 C 13 116.5 0.2 . 3 . . . A 91 TYR CE1 . 18673 1 792 . 1 1 91 91 TYR CE2 C 13 116.5 0.2 . 3 . . . A 91 TYR CE2 . 18673 1 793 . 1 1 91 91 TYR N N 15 122.2 0.2 . 1 . . . A 91 TYR N . 18673 1 794 . 1 1 92 92 LEU H H 1 7.88 0.02 . 1 . . . A 92 LEU H . 18673 1 795 . 1 1 92 92 LEU HA H 1 3.05 0.02 . 1 . . . A 92 LEU HA . 18673 1 796 . 1 1 92 92 LEU HB2 H 1 1.94 0.02 . 2 . . . A 92 LEU HB2 . 18673 1 797 . 1 1 92 92 LEU HB3 H 1 0.97 0.02 . 2 . . . A 92 LEU HB3 . 18673 1 798 . 1 1 92 92 LEU HG H 1 0.33 0.02 . 1 . . . A 92 LEU HG . 18673 1 799 . 1 1 92 92 LEU HD11 H 1 0.99 0.02 . 2 . . . A 92 LEU HD11 . 18673 1 800 . 1 1 92 92 LEU HD12 H 1 0.99 0.02 . 2 . . . A 92 LEU HD12 . 18673 1 801 . 1 1 92 92 LEU HD13 H 1 0.99 0.02 . 2 . . . A 92 LEU HD13 . 18673 1 802 . 1 1 92 92 LEU HD21 H 1 0.39 0.02 . 2 . . . A 92 LEU HD21 . 18673 1 803 . 1 1 92 92 LEU HD22 H 1 0.39 0.02 . 2 . . . A 92 LEU HD22 . 18673 1 804 . 1 1 92 92 LEU HD23 H 1 0.39 0.02 . 2 . . . A 92 LEU HD23 . 18673 1 805 . 1 1 92 92 LEU C C 13 175.4 0.2 . 1 . . . A 92 LEU C . 18673 1 806 . 1 1 92 92 LEU CA C 13 57.4 0.2 . 1 . . . A 92 LEU CA . 18673 1 807 . 1 1 92 92 LEU CB C 13 42.0 0.2 . 1 . . . A 92 LEU CB . 18673 1 808 . 1 1 92 92 LEU CG C 13 26.7 0.2 . 1 . . . A 92 LEU CG . 18673 1 809 . 1 1 92 92 LEU CD1 C 13 22.0 0.2 . 2 . . . A 92 LEU CD1 . 18673 1 810 . 1 1 92 92 LEU CD2 C 13 21.3 0.2 . 2 . . . A 92 LEU CD2 . 18673 1 811 . 1 1 92 92 LEU N N 15 121.8 0.2 . 1 . . . A 92 LEU N . 18673 1 812 . 1 1 93 93 HIS H H 1 6.86 0.02 . 1 . . . A 93 HIS H . 18673 1 813 . 1 1 93 93 HIS HA H 1 3.85 0.02 . 1 . . . A 93 HIS HA . 18673 1 814 . 1 1 93 93 HIS HB2 H 1 3.16 0.02 . 2 . . . A 93 HIS HB2 . 18673 1 815 . 1 1 93 93 HIS HB3 H 1 3.07 0.02 . 2 . . . A 93 HIS HB3 . 18673 1 816 . 1 1 93 93 HIS HD2 H 1 7.37 0.02 . 1 . . . A 93 HIS HD2 . 18673 1 817 . 1 1 93 93 HIS CA C 13 58.7 0.2 . 1 . . . A 93 HIS CA . 18673 1 818 . 1 1 93 93 HIS CB C 13 29.0 0.2 . 1 . . . A 93 HIS CB . 18673 1 819 . 1 1 93 93 HIS CD2 C 13 122.8 0.2 . 1 . . . A 93 HIS CD2 . 18673 1 820 . 1 1 93 93 HIS N N 15 106.5 0.2 . 1 . . . A 93 HIS N . 18673 1 821 . 1 1 94 94 LYS H H 1 7.67 0.02 . 1 . . . A 94 LYS H . 18673 1 822 . 1 1 94 94 LYS HA H 1 4.19 0.02 . 1 . . . A 94 LYS HA . 18673 1 823 . 1 1 94 94 LYS HB2 H 1 1.79 0.02 . 2 . . . A 94 LYS HB2 . 18673 1 824 . 1 1 94 94 LYS HB3 H 1 1.70 0.02 . 2 . . . A 94 LYS HB3 . 18673 1 825 . 1 1 94 94 LYS C C 13 177.2 0.2 . 1 . . . A 94 LYS C . 18673 1 826 . 1 1 94 94 LYS CA C 13 57.4 0.2 . 1 . . . A 94 LYS CA . 18673 1 827 . 1 1 94 94 LYS CB C 13 34.0 0.2 . 1 . . . A 94 LYS CB . 18673 1 828 . 1 1 94 94 LYS CG C 13 24.2 0.2 . 1 . . . A 94 LYS CG . 18673 1 829 . 1 1 94 94 LYS N N 15 120.7 0.2 . 1 . . . A 94 LYS N . 18673 1 830 . 1 1 95 95 GLY H H 1 8.02 0.02 . 1 . . . A 95 GLY H . 18673 1 831 . 1 1 95 95 GLY HA2 H 1 3.91 0.02 . 2 . . . A 95 GLY HA2 . 18673 1 832 . 1 1 95 95 GLY HA3 H 1 2.79 0.02 . 2 . . . A 95 GLY HA3 . 18673 1 833 . 1 1 95 95 GLY C C 13 172.8 0.2 . 1 . . . A 95 GLY C . 18673 1 834 . 1 1 95 95 GLY CA C 13 44.8 0.2 . 1 . . . A 95 GLY CA . 18673 1 835 . 1 1 95 95 GLY N N 15 104.0 0.2 . 1 . . . A 95 GLY N . 18673 1 836 . 1 1 96 96 SER H H 1 6.23 0.02 . 1 . . . A 96 SER H . 18673 1 837 . 1 1 96 96 SER HA H 1 3.91 0.02 . 1 . . . A 96 SER HA . 18673 1 838 . 1 1 96 96 SER HB2 H 1 3.98 0.02 . 2 . . . A 96 SER HB2 . 18673 1 839 . 1 1 96 96 SER HB3 H 1 3.41 0.02 . 2 . . . A 96 SER HB3 . 18673 1 840 . 1 1 96 96 SER CA C 13 55.9 0.2 . 1 . . . A 96 SER CA . 18673 1 841 . 1 1 96 96 SER CB C 13 62.5 0.2 . 1 . . . A 96 SER CB . 18673 1 842 . 1 1 96 96 SER N N 15 110.9 0.2 . 1 . . . A 96 SER N . 18673 1 843 . 1 1 97 97 PRO HG2 H 1 1.96 0.02 . 2 . . . A 97 PRO HG2 . 18673 1 844 . 1 1 97 97 PRO HG3 H 1 1.88 0.02 . 2 . . . A 97 PRO HG3 . 18673 1 845 . 1 1 97 97 PRO HD2 H 1 2.89 0.02 . 2 . . . A 97 PRO HD2 . 18673 1 846 . 1 1 97 97 PRO HD3 H 1 2.85 0.02 . 2 . . . A 97 PRO HD3 . 18673 1 847 . 1 1 97 97 PRO CG C 13 27.6 0.2 . 1 . . . A 97 PRO CG . 18673 1 848 . 1 1 97 97 PRO CD C 13 49.6 0.2 . 1 . . . A 97 PRO CD . 18673 1 849 . 1 1 98 98 LYS HG2 H 1 1.53 0.02 . 2 . . . A 98 LYS HG2 . 18673 1 850 . 1 1 98 98 LYS HG3 H 1 1.41 0.02 . 2 . . . A 98 LYS HG3 . 18673 1 851 . 1 1 98 98 LYS HE2 H 1 3.03 0.02 . 2 . . . A 98 LYS HE2 . 18673 1 852 . 1 1 98 98 LYS HE3 H 1 3.03 0.02 . 2 . . . A 98 LYS HE3 . 18673 1 853 . 1 1 98 98 LYS C C 13 176.3 0.2 . 1 . . . A 98 LYS C . 18673 1 854 . 1 1 98 98 LYS CA C 13 56.5 0.2 . 1 . . . A 98 LYS CA . 18673 1 855 . 1 1 98 98 LYS CB C 13 31.5 0.2 . 1 . . . A 98 LYS CB . 18673 1 856 . 1 1 98 98 LYS CG C 13 25.5 0.2 . 1 . . . A 98 LYS CG . 18673 1 857 . 1 1 98 98 LYS CD C 13 28.9 0.2 . 1 . . . A 98 LYS CD . 18673 1 858 . 1 1 99 99 SER H H 1 7.96 0.02 . 1 . . . A 99 SER H . 18673 1 859 . 1 1 99 99 SER HB2 H 1 4.22 0.02 . 2 . . . A 99 SER HB2 . 18673 1 860 . 1 1 99 99 SER HB3 H 1 4.22 0.02 . 2 . . . A 99 SER HB3 . 18673 1 861 . 1 1 99 99 SER C C 13 174.6 0.2 . 1 . . . A 99 SER C . 18673 1 862 . 1 1 99 99 SER CA C 13 59.0 0.2 . 1 . . . A 99 SER CA . 18673 1 863 . 1 1 99 99 SER CB C 13 66.4 0.2 . 1 . . . A 99 SER CB . 18673 1 864 . 1 1 99 99 SER N N 15 115.8 0.2 . 1 . . . A 99 SER N . 18673 1 865 . 1 1 100 100 VAL H H 1 8.38 0.02 . 1 . . . A 100 VAL H . 18673 1 866 . 1 1 100 100 VAL HA H 1 4.23 0.02 . 1 . . . A 100 VAL HA . 18673 1 867 . 1 1 100 100 VAL HB H 1 2.07 0.02 . 1 . . . A 100 VAL HB . 18673 1 868 . 1 1 100 100 VAL HG11 H 1 0.86 0.02 . 2 . . . A 100 VAL HG11 . 18673 1 869 . 1 1 100 100 VAL HG12 H 1 0.86 0.02 . 2 . . . A 100 VAL HG12 . 18673 1 870 . 1 1 100 100 VAL HG13 H 1 0.86 0.02 . 2 . . . A 100 VAL HG13 . 18673 1 871 . 1 1 100 100 VAL HG21 H 1 0.95 0.02 . 2 . . . A 100 VAL HG21 . 18673 1 872 . 1 1 100 100 VAL HG22 H 1 0.95 0.02 . 2 . . . A 100 VAL HG22 . 18673 1 873 . 1 1 100 100 VAL HG23 H 1 0.95 0.02 . 2 . . . A 100 VAL HG23 . 18673 1 874 . 1 1 100 100 VAL C C 13 175.5 0.2 . 1 . . . A 100 VAL C . 18673 1 875 . 1 1 100 100 VAL CA C 13 62.0 0.2 . 1 . . . A 100 VAL CA . 18673 1 876 . 1 1 100 100 VAL CB C 13 33.0 0.2 . 1 . . . A 100 VAL CB . 18673 1 877 . 1 1 100 100 VAL CG1 C 13 21.3 0.2 . 2 . . . A 100 VAL CG1 . 18673 1 878 . 1 1 100 100 VAL CG2 C 13 20.0 0.2 . 2 . . . A 100 VAL CG2 . 18673 1 879 . 1 1 100 100 VAL N N 15 120.5 0.2 . 1 . . . A 100 VAL N . 18673 1 880 . 1 1 101 101 VAL H H 1 8.93 0.02 . 1 . . . A 101 VAL H . 18673 1 881 . 1 1 101 101 VAL HA H 1 3.51 0.02 . 1 . . . A 101 VAL HA . 18673 1 882 . 1 1 101 101 VAL HB H 1 1.79 0.02 . 1 . . . A 101 VAL HB . 18673 1 883 . 1 1 101 101 VAL HG11 H 1 0.83 0.02 . 2 . . . A 101 VAL HG11 . 18673 1 884 . 1 1 101 101 VAL HG12 H 1 0.83 0.02 . 2 . . . A 101 VAL HG12 . 18673 1 885 . 1 1 101 101 VAL HG13 H 1 0.83 0.02 . 2 . . . A 101 VAL HG13 . 18673 1 886 . 1 1 101 101 VAL HG21 H 1 0.83 0.02 . 2 . . . A 101 VAL HG21 . 18673 1 887 . 1 1 101 101 VAL HG22 H 1 0.83 0.02 . 2 . . . A 101 VAL HG22 . 18673 1 888 . 1 1 101 101 VAL HG23 H 1 0.83 0.02 . 2 . . . A 101 VAL HG23 . 18673 1 889 . 1 1 101 101 VAL C C 13 176.4 0.2 . 1 . . . A 101 VAL C . 18673 1 890 . 1 1 101 101 VAL CA C 13 64.5 0.2 . 1 . . . A 101 VAL CA . 18673 1 891 . 1 1 101 101 VAL CB C 13 32.3 0.2 . 1 . . . A 101 VAL CB . 18673 1 892 . 1 1 101 101 VAL CG1 C 13 20.9 0.2 . 2 . . . A 101 VAL CG1 . 18673 1 893 . 1 1 101 101 VAL CG2 C 13 20.9 0.2 . 2 . . . A 101 VAL CG2 . 18673 1 894 . 1 1 101 101 VAL N N 15 129.8 0.2 . 1 . . . A 101 VAL N . 18673 1 895 . 1 1 102 102 LYS H H 1 9.41 0.02 . 1 . . . A 102 LYS H . 18673 1 896 . 1 1 102 102 LYS HA H 1 4.47 0.02 . 1 . . . A 102 LYS HA . 18673 1 897 . 1 1 102 102 LYS C C 13 176.1 0.2 . 1 . . . A 102 LYS C . 18673 1 898 . 1 1 102 102 LYS CA C 13 56.6 0.2 . 1 . . . A 102 LYS CA . 18673 1 899 . 1 1 102 102 LYS CB C 13 33.4 0.2 . 1 . . . A 102 LYS CB . 18673 1 900 . 1 1 102 102 LYS CG C 13 24.8 0.2 . 1 . . . A 102 LYS CG . 18673 1 901 . 1 1 102 102 LYS CD C 13 28.8 0.2 . 1 . . . A 102 LYS CD . 18673 1 902 . 1 1 102 102 LYS N N 15 128.8 0.2 . 1 . . . A 102 LYS N . 18673 1 903 . 1 1 103 103 LYS H H 1 7.44 0.02 . 1 . . . A 103 LYS H . 18673 1 904 . 1 1 103 103 LYS HB2 H 1 1.73 0.02 . 2 . . . A 103 LYS HB2 . 18673 1 905 . 1 1 103 103 LYS HB3 H 1 1.62 0.02 . 2 . . . A 103 LYS HB3 . 18673 1 906 . 1 1 103 103 LYS C C 13 173.7 0.2 . 1 . . . A 103 LYS C . 18673 1 907 . 1 1 103 103 LYS CA C 13 55.9 0.2 . 1 . . . A 103 LYS CA . 18673 1 908 . 1 1 103 103 LYS CB C 13 35.8 0.2 . 1 . . . A 103 LYS CB . 18673 1 909 . 1 1 103 103 LYS CG C 13 24.9 0.2 . 1 . . . A 103 LYS CG . 18673 1 910 . 1 1 103 103 LYS CD C 13 29.2 0.2 . 1 . . . A 103 LYS CD . 18673 1 911 . 1 1 103 103 LYS N N 15 119.0 0.2 . 1 . . . A 103 LYS N . 18673 1 912 . 1 1 104 104 VAL H H 1 8.54 0.02 . 1 . . . A 104 VAL H . 18673 1 913 . 1 1 104 104 VAL HB H 1 1.39 0.02 . 1 . . . A 104 VAL HB . 18673 1 914 . 1 1 104 104 VAL HG11 H 1 0.63 0.02 . 2 . . . A 104 VAL HG11 . 18673 1 915 . 1 1 104 104 VAL HG12 H 1 0.63 0.02 . 2 . . . A 104 VAL HG12 . 18673 1 916 . 1 1 104 104 VAL HG13 H 1 0.63 0.02 . 2 . . . A 104 VAL HG13 . 18673 1 917 . 1 1 104 104 VAL HG21 H 1 0.16 0.02 . 2 . . . A 104 VAL HG21 . 18673 1 918 . 1 1 104 104 VAL HG22 H 1 0.16 0.02 . 2 . . . A 104 VAL HG22 . 18673 1 919 . 1 1 104 104 VAL HG23 H 1 0.16 0.02 . 2 . . . A 104 VAL HG23 . 18673 1 920 . 1 1 104 104 VAL C C 13 175.5 0.2 . 1 . . . A 104 VAL C . 18673 1 921 . 1 1 104 104 VAL CA C 13 61.2 0.2 . 1 . . . A 104 VAL CA . 18673 1 922 . 1 1 104 104 VAL CB C 13 34.2 0.2 . 1 . . . A 104 VAL CB . 18673 1 923 . 1 1 104 104 VAL CG1 C 13 21.1 0.2 . 2 . . . A 104 VAL CG1 . 18673 1 924 . 1 1 104 104 VAL CG2 C 13 20.9 0.2 . 2 . . . A 104 VAL CG2 . 18673 1 925 . 1 1 104 104 VAL N N 15 124.6 0.2 . 1 . . . A 104 VAL N . 18673 1 926 . 1 1 105 105 SER H H 1 9.30 0.02 . 1 . . . A 105 SER H . 18673 1 927 . 1 1 105 105 SER HA H 1 5.02 0.02 . 1 . . . A 105 SER HA . 18673 1 928 . 1 1 105 105 SER HB2 H 1 3.85 0.02 . 2 . . . A 105 SER HB2 . 18673 1 929 . 1 1 105 105 SER HB3 H 1 3.74 0.02 . 2 . . . A 105 SER HB3 . 18673 1 930 . 1 1 105 105 SER C C 13 173.6 0.2 . 1 . . . A 105 SER C . 18673 1 931 . 1 1 105 105 SER CA C 13 56.7 0.2 . 1 . . . A 105 SER CA . 18673 1 932 . 1 1 105 105 SER CB C 13 64.9 0.2 . 1 . . . A 105 SER CB . 18673 1 933 . 1 1 105 105 SER N N 15 123.4 0.2 . 1 . . . A 105 SER N . 18673 1 934 . 1 1 106 106 ILE H H 1 8.68 0.02 . 1 . . . A 106 ILE H . 18673 1 935 . 1 1 106 106 ILE HA H 1 5.48 0.02 . 1 . . . A 106 ILE HA . 18673 1 936 . 1 1 106 106 ILE HB H 1 1.90 0.02 . 1 . . . A 106 ILE HB . 18673 1 937 . 1 1 106 106 ILE HG12 H 1 1.56 0.02 . 2 . . . A 106 ILE HG12 . 18673 1 938 . 1 1 106 106 ILE HG13 H 1 1.22 0.02 . 2 . . . A 106 ILE HG13 . 18673 1 939 . 1 1 106 106 ILE HG21 H 1 0.95 0.02 . 1 . . . A 106 ILE HG21 . 18673 1 940 . 1 1 106 106 ILE HG22 H 1 0.95 0.02 . 1 . . . A 106 ILE HG22 . 18673 1 941 . 1 1 106 106 ILE HG23 H 1 0.95 0.02 . 1 . . . A 106 ILE HG23 . 18673 1 942 . 1 1 106 106 ILE HD11 H 1 0.88 0.02 . 1 . . . A 106 ILE HD11 . 18673 1 943 . 1 1 106 106 ILE HD12 H 1 0.88 0.02 . 1 . . . A 106 ILE HD12 . 18673 1 944 . 1 1 106 106 ILE HD13 H 1 0.88 0.02 . 1 . . . A 106 ILE HD13 . 18673 1 945 . 1 1 106 106 ILE C C 13 175.8 0.2 . 1 . . . A 106 ILE C . 18673 1 946 . 1 1 106 106 ILE CA C 13 58.5 0.2 . 1 . . . A 106 ILE CA . 18673 1 947 . 1 1 106 106 ILE CB C 13 42.2 0.2 . 1 . . . A 106 ILE CB . 18673 1 948 . 1 1 106 106 ILE CG1 C 13 25.7 0.2 . 1 . . . A 106 ILE CG1 . 18673 1 949 . 1 1 106 106 ILE CG2 C 13 19.1 0.2 . 1 . . . A 106 ILE CG2 . 18673 1 950 . 1 1 106 106 ILE CD1 C 13 13.3 0.2 . 1 . . . A 106 ILE CD1 . 18673 1 951 . 1 1 106 106 ILE N N 15 121.4 0.2 . 1 . . . A 106 ILE N . 18673 1 952 . 1 1 107 107 HIS H H 1 8.51 0.02 . 1 . . . A 107 HIS H . 18673 1 953 . 1 1 107 107 HIS HB2 H 1 3.35 0.02 . 2 . . . A 107 HIS HB2 . 18673 1 954 . 1 1 107 107 HIS HB3 H 1 3.20 0.02 . 2 . . . A 107 HIS HB3 . 18673 1 955 . 1 1 107 107 HIS HD2 H 1 7.25 0.02 . 1 . . . A 107 HIS HD2 . 18673 1 956 . 1 1 107 107 HIS C C 13 173.1 0.2 . 1 . . . A 107 HIS C . 18673 1 957 . 1 1 107 107 HIS CA C 13 55.2 0.2 . 1 . . . A 107 HIS CA . 18673 1 958 . 1 1 107 107 HIS CB C 13 32.0 0.2 . 1 . . . A 107 HIS CB . 18673 1 959 . 1 1 107 107 HIS CD2 C 13 121.5 0.2 . 1 . . . A 107 HIS CD2 . 18673 1 960 . 1 1 107 107 HIS N N 15 117.3 0.2 . 1 . . . A 107 HIS N . 18673 1 961 . 1 1 108 108 ALA H H 1 9.01 0.02 . 1 . . . A 108 ALA H . 18673 1 962 . 1 1 108 108 ALA HA H 1 4.73 0.02 . 1 . . . A 108 ALA HA . 18673 1 963 . 1 1 108 108 ALA HB1 H 1 1.55 0.02 . 1 . . . A 108 ALA HB1 . 18673 1 964 . 1 1 108 108 ALA HB2 H 1 1.55 0.02 . 1 . . . A 108 ALA HB2 . 18673 1 965 . 1 1 108 108 ALA HB3 H 1 1.55 0.02 . 1 . . . A 108 ALA HB3 . 18673 1 966 . 1 1 108 108 ALA C C 13 177.4 0.2 . 1 . . . A 108 ALA C . 18673 1 967 . 1 1 108 108 ALA CA C 13 53.4 0.2 . 1 . . . A 108 ALA CA . 18673 1 968 . 1 1 108 108 ALA CB C 13 19.3 0.2 . 1 . . . A 108 ALA CB . 18673 1 969 . 1 1 108 108 ALA N N 15 125.9 0.2 . 1 . . . A 108 ALA N . 18673 1 970 . 1 1 109 109 SER H H 1 7.93 0.02 . 1 . . . A 109 SER H . 18673 1 971 . 1 1 109 109 SER HB2 H 1 3.92 0.02 . 2 . . . A 109 SER HB2 . 18673 1 972 . 1 1 109 109 SER HB3 H 1 3.32 0.02 . 2 . . . A 109 SER HB3 . 18673 1 973 . 1 1 109 109 SER C C 13 173.7 0.2 . 1 . . . A 109 SER C . 18673 1 974 . 1 1 109 109 SER CA C 13 56.1 0.2 . 1 . . . A 109 SER CA . 18673 1 975 . 1 1 109 109 SER CB C 13 65.6 0.2 . 1 . . . A 109 SER CB . 18673 1 976 . 1 1 109 109 SER N N 15 114.4 0.2 . 1 . . . A 109 SER N . 18673 1 977 . 1 1 110 110 SER H H 1 8.04 0.02 . 1 . . . A 110 SER H . 18673 1 978 . 1 1 110 110 SER HA H 1 4.46 0.02 . 1 . . . A 110 SER HA . 18673 1 979 . 1 1 110 110 SER HB2 H 1 3.97 0.02 . 2 . . . A 110 SER HB2 . 18673 1 980 . 1 1 110 110 SER HB3 H 1 3.90 0.02 . 2 . . . A 110 SER HB3 . 18673 1 981 . 1 1 110 110 SER C C 13 173.7 0.2 . 1 . . . A 110 SER C . 18673 1 982 . 1 1 110 110 SER CA C 13 58.7 0.2 . 1 . . . A 110 SER CA . 18673 1 983 . 1 1 110 110 SER CB C 13 63.9 0.2 . 1 . . . A 110 SER CB . 18673 1 984 . 1 1 110 110 SER N N 15 117.2 0.2 . 1 . . . A 110 SER N . 18673 1 985 . 1 1 111 111 ARG H H 1 8.31 0.02 . 1 . . . A 111 ARG H . 18673 1 986 . 1 1 111 111 ARG HA H 1 4.24 0.02 . 1 . . . A 111 ARG HA . 18673 1 987 . 1 1 111 111 ARG HB2 H 1 1.80 0.02 . 2 . . . A 111 ARG HB2 . 18673 1 988 . 1 1 111 111 ARG HB3 H 1 1.65 0.02 . 2 . . . A 111 ARG HB3 . 18673 1 989 . 1 1 111 111 ARG HG2 H 1 1.67 0.02 . 2 . . . A 111 ARG HG2 . 18673 1 990 . 1 1 111 111 ARG HG3 H 1 1.51 0.02 . 2 . . . A 111 ARG HG3 . 18673 1 991 . 1 1 111 111 ARG HD2 H 1 3.11 0.02 . 2 . . . A 111 ARG HD2 . 18673 1 992 . 1 1 111 111 ARG HD3 H 1 3.11 0.02 . 2 . . . A 111 ARG HD3 . 18673 1 993 . 1 1 111 111 ARG C C 13 177.1 0.2 . 1 . . . A 111 ARG C . 18673 1 994 . 1 1 111 111 ARG CA C 13 57.0 0.2 . 1 . . . A 111 ARG CA . 18673 1 995 . 1 1 111 111 ARG CB C 13 30.6 0.2 . 1 . . . A 111 ARG CB . 18673 1 996 . 1 1 111 111 ARG CG C 13 27.0 0.2 . 1 . . . A 111 ARG CG . 18673 1 997 . 1 1 111 111 ARG CD C 13 43.0 0.2 . 1 . . . A 111 ARG CD . 18673 1 998 . 1 1 111 111 ARG N N 15 121.2 0.2 . 1 . . . A 111 ARG N . 18673 1 999 . 1 1 112 112 VAL H H 1 9.19 0.02 . 1 . . . A 112 VAL H . 18673 1 1000 . 1 1 112 112 VAL HB H 1 2.17 0.02 . 1 . . . A 112 VAL HB . 18673 1 1001 . 1 1 112 112 VAL HG11 H 1 0.95 0.02 . 2 . . . A 112 VAL HG11 . 18673 1 1002 . 1 1 112 112 VAL HG12 H 1 0.95 0.02 . 2 . . . A 112 VAL HG12 . 18673 1 1003 . 1 1 112 112 VAL HG13 H 1 0.95 0.02 . 2 . . . A 112 VAL HG13 . 18673 1 1004 . 1 1 112 112 VAL HG21 H 1 0.69 0.02 . 2 . . . A 112 VAL HG21 . 18673 1 1005 . 1 1 112 112 VAL HG22 H 1 0.69 0.02 . 2 . . . A 112 VAL HG22 . 18673 1 1006 . 1 1 112 112 VAL HG23 H 1 0.69 0.02 . 2 . . . A 112 VAL HG23 . 18673 1 1007 . 1 1 112 112 VAL CA C 13 59.3 0.2 . 1 . . . A 112 VAL CA . 18673 1 1008 . 1 1 112 112 VAL CB C 13 34.6 0.2 . 1 . . . A 112 VAL CB . 18673 1 1009 . 1 1 112 112 VAL CG1 C 13 21.9 0.2 . 2 . . . A 112 VAL CG1 . 18673 1 1010 . 1 1 112 112 VAL CG2 C 13 17.5 0.2 . 2 . . . A 112 VAL CG2 . 18673 1 1011 . 1 1 112 112 VAL N N 15 119.5 0.2 . 1 . . . A 112 VAL N . 18673 1 1012 . 1 1 113 113 ASP H H 1 8.53 0.02 . 1 . . . A 113 ASP H . 18673 1 1013 . 1 1 113 113 ASP HB2 H 1 2.65 0.02 . 2 . . . A 113 ASP HB2 . 18673 1 1014 . 1 1 113 113 ASP HB3 H 1 2.51 0.02 . 2 . . . A 113 ASP HB3 . 18673 1 1015 . 1 1 113 113 ASP C C 13 174.9 0.2 . 1 . . . A 113 ASP C . 18673 1 1016 . 1 1 113 113 ASP CA C 13 53.1 0.2 . 1 . . . A 113 ASP CA . 18673 1 1017 . 1 1 113 113 ASP CB C 13 40.6 0.2 . 1 . . . A 113 ASP CB . 18673 1 1018 . 1 1 113 113 ASP N N 15 122.2 0.2 . 1 . . . A 113 ASP N . 18673 1 1019 . 1 1 114 114 ALA H H 1 7.38 0.02 . 1 . . . A 114 ALA H . 18673 1 1020 . 1 1 114 114 ALA HA H 1 4.48 0.02 . 1 . . . A 114 ALA HA . 18673 1 1021 . 1 1 114 114 ALA HB1 H 1 1.44 0.02 . 1 . . . A 114 ALA HB1 . 18673 1 1022 . 1 1 114 114 ALA HB2 H 1 1.44 0.02 . 1 . . . A 114 ALA HB2 . 18673 1 1023 . 1 1 114 114 ALA HB3 H 1 1.44 0.02 . 1 . . . A 114 ALA HB3 . 18673 1 1024 . 1 1 114 114 ALA C C 13 175.6 0.2 . 1 . . . A 114 ALA C . 18673 1 1025 . 1 1 114 114 ALA CA C 13 52.2 0.2 . 1 . . . A 114 ALA CA . 18673 1 1026 . 1 1 114 114 ALA CB C 13 21.1 0.2 . 1 . . . A 114 ALA CB . 18673 1 1027 . 1 1 114 114 ALA N N 15 124.1 0.2 . 1 . . . A 114 ALA N . 18673 1 1028 . 1 1 115 115 ASP H H 1 8.51 0.02 . 1 . . . A 115 ASP H . 18673 1 1029 . 1 1 115 115 ASP HB2 H 1 2.67 0.02 . 2 . . . A 115 ASP HB2 . 18673 1 1030 . 1 1 115 115 ASP HB3 H 1 2.67 0.02 . 2 . . . A 115 ASP HB3 . 18673 1 1031 . 1 1 115 115 ASP C C 13 175.8 0.2 . 1 . . . A 115 ASP C . 18673 1 1032 . 1 1 115 115 ASP CA C 13 53.3 0.2 . 1 . . . A 115 ASP CA . 18673 1 1033 . 1 1 115 115 ASP CB C 13 41.7 0.2 . 1 . . . A 115 ASP CB . 18673 1 1034 . 1 1 115 115 ASP N N 15 119.1 0.2 . 1 . . . A 115 ASP N . 18673 1 1035 . 1 1 116 116 GLY H H 1 7.80 0.02 . 1 . . . A 116 GLY H . 18673 1 1036 . 1 1 116 116 GLY HA2 H 1 4.20 0.02 . 2 . . . A 116 GLY HA2 . 18673 1 1037 . 1 1 116 116 GLY HA3 H 1 3.94 0.02 . 2 . . . A 116 GLY HA3 . 18673 1 1038 . 1 1 116 116 GLY C C 13 171.0 0.2 . 1 . . . A 116 GLY C . 18673 1 1039 . 1 1 116 116 GLY CA C 13 44.7 0.2 . 1 . . . A 116 GLY CA . 18673 1 1040 . 1 1 116 116 GLY N N 15 108.5 0.2 . 1 . . . A 116 GLY N . 18673 1 1041 . 1 1 117 117 PHE H H 1 9.52 0.02 . 1 . . . A 117 PHE H . 18673 1 1042 . 1 1 117 117 PHE HA H 1 5.23 0.02 . 1 . . . A 117 PHE HA . 18673 1 1043 . 1 1 117 117 PHE HB2 H 1 3.04 0.02 . 2 . . . A 117 PHE HB2 . 18673 1 1044 . 1 1 117 117 PHE HB3 H 1 2.75 0.02 . 2 . . . A 117 PHE HB3 . 18673 1 1045 . 1 1 117 117 PHE HD1 H 1 6.69 0.02 . 3 . . . A 117 PHE HD1 . 18673 1 1046 . 1 1 117 117 PHE HD2 H 1 6.69 0.02 . 3 . . . A 117 PHE HD2 . 18673 1 1047 . 1 1 117 117 PHE C C 13 174.8 0.2 . 1 . . . A 117 PHE C . 18673 1 1048 . 1 1 117 117 PHE CA C 13 56.5 0.2 . 1 . . . A 117 PHE CA . 18673 1 1049 . 1 1 117 117 PHE CB C 13 40.6 0.2 . 1 . . . A 117 PHE CB . 18673 1 1050 . 1 1 117 117 PHE CD1 C 13 133.0 0.2 . 3 . . . A 117 PHE CD1 . 18673 1 1051 . 1 1 117 117 PHE CD2 C 13 133.0 0.2 . 3 . . . A 117 PHE CD2 . 18673 1 1052 . 1 1 117 117 PHE N N 15 123.7 0.2 . 1 . . . A 117 PHE N . 18673 1 1053 . 1 1 118 118 GLU H H 1 7.99 0.02 . 1 . . . A 118 GLU H . 18673 1 1054 . 1 1 118 118 GLU HB2 H 1 2.00 0.02 . 2 . . . A 118 GLU HB2 . 18673 1 1055 . 1 1 118 118 GLU HB3 H 1 1.89 0.02 . 2 . . . A 118 GLU HB3 . 18673 1 1056 . 1 1 118 118 GLU HG2 H 1 2.22 0.02 . 2 . . . A 118 GLU HG2 . 18673 1 1057 . 1 1 118 118 GLU HG3 H 1 2.22 0.02 . 2 . . . A 118 GLU HG3 . 18673 1 1058 . 1 1 118 118 GLU C C 13 175.7 0.2 . 1 . . . A 118 GLU C . 18673 1 1059 . 1 1 118 118 GLU CA C 13 54.6 0.2 . 1 . . . A 118 GLU CA . 18673 1 1060 . 1 1 118 118 GLU CB C 13 33.4 0.2 . 1 . . . A 118 GLU CB . 18673 1 1061 . 1 1 118 118 GLU CG C 13 35.8 0.2 . 1 . . . A 118 GLU CG . 18673 1 1062 . 1 1 118 118 GLU N N 15 126.9 0.2 . 1 . . . A 118 GLU N . 18673 1 1063 . 1 1 119 119 ILE H H 1 8.93 0.02 . 1 . . . A 119 ILE H . 18673 1 1064 . 1 1 119 119 ILE HA H 1 4.47 0.02 . 1 . . . A 119 ILE HA . 18673 1 1065 . 1 1 119 119 ILE HB H 1 1.85 0.02 . 1 . . . A 119 ILE HB . 18673 1 1066 . 1 1 119 119 ILE HG12 H 1 1.80 0.02 . 2 . . . A 119 ILE HG12 . 18673 1 1067 . 1 1 119 119 ILE HG13 H 1 0.82 0.02 . 2 . . . A 119 ILE HG13 . 18673 1 1068 . 1 1 119 119 ILE HG21 H 1 0.90 0.02 . 1 . . . A 119 ILE HG21 . 18673 1 1069 . 1 1 119 119 ILE HG22 H 1 0.90 0.02 . 1 . . . A 119 ILE HG22 . 18673 1 1070 . 1 1 119 119 ILE HG23 H 1 0.90 0.02 . 1 . . . A 119 ILE HG23 . 18673 1 1071 . 1 1 119 119 ILE HD11 H 1 0.94 0.02 . 1 . . . A 119 ILE HD11 . 18673 1 1072 . 1 1 119 119 ILE HD12 H 1 0.94 0.02 . 1 . . . A 119 ILE HD12 . 18673 1 1073 . 1 1 119 119 ILE HD13 H 1 0.94 0.02 . 1 . . . A 119 ILE HD13 . 18673 1 1074 . 1 1 119 119 ILE CA C 13 61.5 0.2 . 1 . . . A 119 ILE CA . 18673 1 1075 . 1 1 119 119 ILE CB C 13 38.3 0.2 . 1 . . . A 119 ILE CB . 18673 1 1076 . 1 1 119 119 ILE CG1 C 13 27.8 0.2 . 1 . . . A 119 ILE CG1 . 18673 1 1077 . 1 1 119 119 ILE CG2 C 13 18.2 0.2 . 1 . . . A 119 ILE CG2 . 18673 1 1078 . 1 1 119 119 ILE CD1 C 13 13.8 0.2 . 1 . . . A 119 ILE CD1 . 18673 1 1079 . 1 1 119 119 ILE N N 15 121.6 0.2 . 1 . . . A 119 ILE N . 18673 1 1080 . 1 1 120 120 ARG H H 1 8.83 0.02 . 1 . . . A 120 ARG H . 18673 1 1081 . 1 1 120 120 ARG HA H 1 4.59 0.02 . 1 . . . A 120 ARG HA . 18673 1 1082 . 1 1 120 120 ARG HB2 H 1 1.86 0.02 . 2 . . . A 120 ARG HB2 . 18673 1 1083 . 1 1 120 120 ARG HB3 H 1 1.66 0.02 . 2 . . . A 120 ARG HB3 . 18673 1 1084 . 1 1 120 120 ARG HG2 H 1 1.50 0.02 . 2 . . . A 120 ARG HG2 . 18673 1 1085 . 1 1 120 120 ARG HG3 H 1 1.50 0.02 . 2 . . . A 120 ARG HG3 . 18673 1 1086 . 1 1 120 120 ARG HD2 H 1 2.82 0.02 . 2 . . . A 120 ARG HD2 . 18673 1 1087 . 1 1 120 120 ARG HD3 H 1 2.37 0.02 . 2 . . . A 120 ARG HD3 . 18673 1 1088 . 1 1 120 120 ARG C C 13 175.5 0.2 . 1 . . . A 120 ARG C . 18673 1 1089 . 1 1 120 120 ARG CA C 13 55.9 0.2 . 1 . . . A 120 ARG CA . 18673 1 1090 . 1 1 120 120 ARG CB C 13 31.2 0.2 . 1 . . . A 120 ARG CB . 18673 1 1091 . 1 1 120 120 ARG CG C 13 27.2 0.2 . 1 . . . A 120 ARG CG . 18673 1 1092 . 1 1 120 120 ARG CD C 13 43.4 0.2 . 1 . . . A 120 ARG CD . 18673 1 1093 . 1 1 120 120 ARG N N 15 128.9 0.2 . 1 . . . A 120 ARG N . 18673 1 1094 . 1 1 121 121 ARG H H 1 8.56 0.02 . 1 . . . A 121 ARG H . 18673 1 1095 . 1 1 121 121 ARG HA H 1 4.16 0.02 . 1 . . . A 121 ARG HA . 18673 1 1096 . 1 1 121 121 ARG HB2 H 1 1.90 0.02 . 2 . . . A 121 ARG HB2 . 18673 1 1097 . 1 1 121 121 ARG HB3 H 1 1.79 0.02 . 2 . . . A 121 ARG HB3 . 18673 1 1098 . 1 1 121 121 ARG HG2 H 1 1.66 0.02 . 2 . . . A 121 ARG HG2 . 18673 1 1099 . 1 1 121 121 ARG HG3 H 1 1.62 0.02 . 2 . . . A 121 ARG HG3 . 18673 1 1100 . 1 1 121 121 ARG HD2 H 1 3.24 0.02 . 2 . . . A 121 ARG HD2 . 18673 1 1101 . 1 1 121 121 ARG HD3 H 1 3.24 0.02 . 2 . . . A 121 ARG HD3 . 18673 1 1102 . 1 1 121 121 ARG CA C 13 58.0 0.2 . 1 . . . A 121 ARG CA . 18673 1 1103 . 1 1 121 121 ARG CB C 13 31.3 0.2 . 1 . . . A 121 ARG CB . 18673 1 1104 . 1 1 121 121 ARG CG C 13 27.8 0.2 . 1 . . . A 121 ARG CG . 18673 1 1105 . 1 1 121 121 ARG CD C 13 43.5 0.2 . 1 . . . A 121 ARG CD . 18673 1 1106 . 1 1 121 121 ARG N N 15 130.9 0.2 . 1 . . . A 121 ARG N . 18673 1 stop_ save_