data_18016 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18016 _Entry.Title ; Solution structure of MSMEG_1053, the second DUF3349 annotated protein in the genome of Mycobacterium smegmatis. Seattle Structural Genomics Center for Infectious Disease (SSGCID) target MysmA.17112.b ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-10-22 _Entry.Accession_date 2011-10-22 _Entry.Last_release_date 2011-11-29 _Entry.Original_release_date 2011-11-29 _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. . 18016 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' . 18016 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DUF proteins' . 18016 'infectious disease' . 18016 SSGCID . 18016 tuberculosis . 18016 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18016 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 453 18016 '15N chemical shifts' 108 18016 '1H chemical shifts' 744 18016 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 . . 2011-11-29 2011-10-22 original author . 18016 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18016 _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 'Different structures for two DUF3349 annotated proteins in the genome of Mycobacterium smegmatis suggest a structural diversity within the DUF3349 superfamily.' _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. . 18016 1 2 Thomas Edwards . E. . 18016 1 3 Jan Abendroth . . . 18016 1 4 Alberto Napuli . J. . 18016 1 5 Stephen Hewitt . N. . 18016 1 6 Isabelle Phan . . . 18016 1 7 Wesley 'Van Voorhis' . C . 18016 1 8 Chang-Yub Kim . . . 18016 1 9 Peter Myler . J. . 18016 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18016 _Assembly.ID 1 _Assembly.Name SSGCID _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 SSGCID 1 $SSGCID A . yes native no no . . . 18016 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SSGCID _Entity.Sf_category entity _Entity.Sf_framecode SSGCID _Entity.Entry_ID 18016 _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 ; GPGSMVNAFLAKIAAWLNAG YPEGVPGPDRVPLLALLTRR LTNDEIKAIAEDLEKRAHFD HIDIGVLITQMTDEMPREED IERVRRHLALQGWPLDDPRD GEEPDGESGGPR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-4 represent non-native residues that remain after the removal of an N-terminal affinity tag.' _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 112 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12434.074 _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 2LKY . "Solution Structure Of Msmeg_1053, The Second Duf3349 Annotated Protein In The Genome Of Mycobacterium Smegmatis, Seattle Struct" . . . . . 100.00 112 100.00 100.00 7.57e-73 . . . . 18016 1 2 no EMBL CKH10149 . "Protein of uncharacterised function (DUF3349) [Mycobacterium smegmatis]" . . . . . 95.54 107 99.07 100.00 2.12e-68 . . . . 18016 1 3 no GB ABK71419 . "conserved hypothetical protein [Mycobacterium smegmatis str. MC2 155]" . . . . . 95.54 107 99.07 100.00 2.12e-68 . . . . 18016 1 4 no GB AFP37510 . "hypothetical protein MSMEI_1030 [Mycobacterium smegmatis str. MC2 155]" . . . . . 95.54 107 99.07 100.00 2.12e-68 . . . . 18016 1 5 no GB AIU06313 . "hypothetical protein LJ00_05280 [Mycobacterium smegmatis str. MC2 155]" . . . . . 95.54 107 99.07 100.00 2.12e-68 . . . . 18016 1 6 no GB AIU12938 . "hypothetical protein LI99_05280 [Mycobacterium smegmatis]" . . . . . 95.54 107 99.07 100.00 2.12e-68 . . . . 18016 1 7 no GB AIU19562 . "hypothetical protein LI98_05280 [Mycobacterium smegmatis]" . . . . . 95.54 107 99.07 100.00 2.12e-68 . . . . 18016 1 8 no REF WP_003892430 . "hypothetical protein [Mycobacterium smegmatis]" . . . . . 95.54 107 99.07 100.00 2.12e-68 . . . . 18016 1 9 no REF YP_885459 . "hypothetical protein MSMEG_1063 [Mycobacterium smegmatis str. MC2 155]" . . . . . 95.54 107 99.07 100.00 2.12e-68 . . . . 18016 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 1 GLY . 18016 1 2 2 PRO . 18016 1 3 3 GLY . 18016 1 4 4 SER . 18016 1 5 5 MET . 18016 1 6 6 VAL . 18016 1 7 7 ASN . 18016 1 8 8 ALA . 18016 1 9 9 PHE . 18016 1 10 10 LEU . 18016 1 11 11 ALA . 18016 1 12 12 LYS . 18016 1 13 13 ILE . 18016 1 14 14 ALA . 18016 1 15 15 ALA . 18016 1 16 16 TRP . 18016 1 17 17 LEU . 18016 1 18 18 ASN . 18016 1 19 19 ALA . 18016 1 20 20 GLY . 18016 1 21 21 TYR . 18016 1 22 22 PRO . 18016 1 23 23 GLU . 18016 1 24 24 GLY . 18016 1 25 25 VAL . 18016 1 26 26 PRO . 18016 1 27 27 GLY . 18016 1 28 28 PRO . 18016 1 29 29 ASP . 18016 1 30 30 ARG . 18016 1 31 31 VAL . 18016 1 32 32 PRO . 18016 1 33 33 LEU . 18016 1 34 34 LEU . 18016 1 35 35 ALA . 18016 1 36 36 LEU . 18016 1 37 37 LEU . 18016 1 38 38 THR . 18016 1 39 39 ARG . 18016 1 40 40 ARG . 18016 1 41 41 LEU . 18016 1 42 42 THR . 18016 1 43 43 ASN . 18016 1 44 44 ASP . 18016 1 45 45 GLU . 18016 1 46 46 ILE . 18016 1 47 47 LYS . 18016 1 48 48 ALA . 18016 1 49 49 ILE . 18016 1 50 50 ALA . 18016 1 51 51 GLU . 18016 1 52 52 ASP . 18016 1 53 53 LEU . 18016 1 54 54 GLU . 18016 1 55 55 LYS . 18016 1 56 56 ARG . 18016 1 57 57 ALA . 18016 1 58 58 HIS . 18016 1 59 59 PHE . 18016 1 60 60 ASP . 18016 1 61 61 HIS . 18016 1 62 62 ILE . 18016 1 63 63 ASP . 18016 1 64 64 ILE . 18016 1 65 65 GLY . 18016 1 66 66 VAL . 18016 1 67 67 LEU . 18016 1 68 68 ILE . 18016 1 69 69 THR . 18016 1 70 70 GLN . 18016 1 71 71 MET . 18016 1 72 72 THR . 18016 1 73 73 ASP . 18016 1 74 74 GLU . 18016 1 75 75 MET . 18016 1 76 76 PRO . 18016 1 77 77 ARG . 18016 1 78 78 GLU . 18016 1 79 79 GLU . 18016 1 80 80 ASP . 18016 1 81 81 ILE . 18016 1 82 82 GLU . 18016 1 83 83 ARG . 18016 1 84 84 VAL . 18016 1 85 85 ARG . 18016 1 86 86 ARG . 18016 1 87 87 HIS . 18016 1 88 88 LEU . 18016 1 89 89 ALA . 18016 1 90 90 LEU . 18016 1 91 91 GLN . 18016 1 92 92 GLY . 18016 1 93 93 TRP . 18016 1 94 94 PRO . 18016 1 95 95 LEU . 18016 1 96 96 ASP . 18016 1 97 97 ASP . 18016 1 98 98 PRO . 18016 1 99 99 ARG . 18016 1 100 100 ASP . 18016 1 101 101 GLY . 18016 1 102 102 GLU . 18016 1 103 103 GLU . 18016 1 104 104 PRO . 18016 1 105 105 ASP . 18016 1 106 106 GLY . 18016 1 107 107 GLU . 18016 1 108 108 SER . 18016 1 109 109 GLY . 18016 1 110 110 GLY . 18016 1 111 111 PRO . 18016 1 112 112 ARG . 18016 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 . GLY 1 1 18016 1 . PRO 2 2 18016 1 . GLY 3 3 18016 1 . SER 4 4 18016 1 . MET 5 5 18016 1 . VAL 6 6 18016 1 . ASN 7 7 18016 1 . ALA 8 8 18016 1 . PHE 9 9 18016 1 . LEU 10 10 18016 1 . ALA 11 11 18016 1 . LYS 12 12 18016 1 . ILE 13 13 18016 1 . ALA 14 14 18016 1 . ALA 15 15 18016 1 . TRP 16 16 18016 1 . LEU 17 17 18016 1 . ASN 18 18 18016 1 . ALA 19 19 18016 1 . GLY 20 20 18016 1 . TYR 21 21 18016 1 . PRO 22 22 18016 1 . GLU 23 23 18016 1 . GLY 24 24 18016 1 . VAL 25 25 18016 1 . PRO 26 26 18016 1 . GLY 27 27 18016 1 . PRO 28 28 18016 1 . ASP 29 29 18016 1 . ARG 30 30 18016 1 . VAL 31 31 18016 1 . PRO 32 32 18016 1 . LEU 33 33 18016 1 . LEU 34 34 18016 1 . ALA 35 35 18016 1 . LEU 36 36 18016 1 . LEU 37 37 18016 1 . THR 38 38 18016 1 . ARG 39 39 18016 1 . ARG 40 40 18016 1 . LEU 41 41 18016 1 . THR 42 42 18016 1 . ASN 43 43 18016 1 . ASP 44 44 18016 1 . GLU 45 45 18016 1 . ILE 46 46 18016 1 . LYS 47 47 18016 1 . ALA 48 48 18016 1 . ILE 49 49 18016 1 . ALA 50 50 18016 1 . GLU 51 51 18016 1 . ASP 52 52 18016 1 . LEU 53 53 18016 1 . GLU 54 54 18016 1 . LYS 55 55 18016 1 . ARG 56 56 18016 1 . ALA 57 57 18016 1 . HIS 58 58 18016 1 . PHE 59 59 18016 1 . ASP 60 60 18016 1 . HIS 61 61 18016 1 . ILE 62 62 18016 1 . ASP 63 63 18016 1 . ILE 64 64 18016 1 . GLY 65 65 18016 1 . VAL 66 66 18016 1 . LEU 67 67 18016 1 . ILE 68 68 18016 1 . THR 69 69 18016 1 . GLN 70 70 18016 1 . MET 71 71 18016 1 . THR 72 72 18016 1 . ASP 73 73 18016 1 . GLU 74 74 18016 1 . MET 75 75 18016 1 . PRO 76 76 18016 1 . ARG 77 77 18016 1 . GLU 78 78 18016 1 . GLU 79 79 18016 1 . ASP 80 80 18016 1 . ILE 81 81 18016 1 . GLU 82 82 18016 1 . ARG 83 83 18016 1 . VAL 84 84 18016 1 . ARG 85 85 18016 1 . ARG 86 86 18016 1 . HIS 87 87 18016 1 . LEU 88 88 18016 1 . ALA 89 89 18016 1 . LEU 90 90 18016 1 . GLN 91 91 18016 1 . GLY 92 92 18016 1 . TRP 93 93 18016 1 . PRO 94 94 18016 1 . LEU 95 95 18016 1 . ASP 96 96 18016 1 . ASP 97 97 18016 1 . PRO 98 98 18016 1 . ARG 99 99 18016 1 . ASP 100 100 18016 1 . GLY 101 101 18016 1 . GLU 102 102 18016 1 . GLU 103 103 18016 1 . PRO 104 104 18016 1 . ASP 105 105 18016 1 . GLY 106 106 18016 1 . GLU 107 107 18016 1 . SER 108 108 18016 1 . GLY 109 109 18016 1 . GLY 110 110 18016 1 . PRO 111 111 18016 1 . ARG 112 112 18016 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 18016 _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 $SSGCID . 1772 organism . 'Mycobacterium smegmatis' 'High GC Gram+' . . Bacteria . Mycobacterium smegmatis 'ATCC 700084' . . . . . . . . . . . . . . . . . . . . 18016 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 18016 _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 $SSGCID . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . . . . . . . . . . . AVA0421 . . . . . . 18016 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18016 _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 MSMEG_1053 '[U-99% 13C; U-99% 15N]' . . 1 $SSGCID . . 1.0 . . mM 0.1 . . . 18016 1 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM 2 . . . 18016 1 3 DTT 'natural abundance' . . . . . . 1 . . mM 0.1 . . . 18016 1 4 TRIS 'natural abundance' . . . . . . 20 . . mM 0.5 . . . 18016 1 5 H2O 'natural abundance' . . . . . . 93 . . % . . . . 18016 1 6 D2O 'natural abundance' . . . . . . 7 . . % . . . . 18016 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18016 _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 MSMEG_1053 '[U-99% 13C; U-99% 15N]' . . 1 $SSGCID . . 1.0 . . mM 0.1 . . . 18016 2 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM 2 . . . 18016 2 3 DTT 'natural abundance' . . . . . . 1 . . mM 0.1 . . . 18016 2 4 TRIS 'natural abundance' . . . . . . 20 . . mM 0.5 . . . 18016 2 5 D2O 'natural abundance' . . . . . . 100 . . % . . . . 18016 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 18016 _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 . M 18016 1 pH 7.0 0.2 pH 18016 1 pressure 1 . atm 18016 1 temperature 293 0.5 K 18016 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 18016 _Sample_condition_list.ID 2 _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 . M 18016 2 pH 7.0 0.2 pH 18016 2 pressure 1 . atm 18016 2 temperature 293 0.5 K 18016 2 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18016 _Software.ID 1 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18016 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18016 1 stop_ save_ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 18016 _Software.ID 2 _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.' . . 18016 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18016 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18016 _Software.ID 3 _Software.Name SPARKY _Software.Version 3.115 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18016 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18016 3 'peak picking' 18016 3 stop_ save_ save_CNSSOLVE _Software.Sf_category software _Software.Sf_framecode CNSSOLVE _Software.Entry_ID 18016 _Software.ID 4 _Software.Name CNSSOLVE _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 18016 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18016 4 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 18016 _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' . . 18016 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18016 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 18016 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18016 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 18016 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 18016 _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 . 800 . . . 18016 1 2 spectrometer_2 Varian INOVA . 600 . . . 18016 1 3 spectrometer_3 Varian INOVA . 500 . . . 18016 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 18016 _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 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18016 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18016 1 3 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18016 1 4 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18016 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18016 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18016 1 7 '3D HN(COCA)CB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18016 1 8 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18016 1 9 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18016 1 10 '2D HBCBCGCDCDHD' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 18016 1 11 '2D HBCBCGCDCEHE' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 18016 1 12 'DEUTERIUM EXCHANGE' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18016 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 18016 _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 . . . . . . . . . 18016 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18016 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18016 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 18016 _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 . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 1H-13C NOESY aliphatic' . . . 18016 1 2 '3D 1H-13C NOESY aromatic' . . . 18016 1 3 '3D 1H-15N NOESY' . . . 18016 1 4 '3D HNCO' . . . 18016 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 PRO HA H 1 4.43 0.02 . 1 . . . A 2 PRO HA . 18016 1 2 . 1 1 2 2 PRO C C 13 177.6 0.2 . 1 . . . A 2 PRO C . 18016 1 3 . 1 1 2 2 PRO CA C 13 63.3 0.2 . 1 . . . A 2 PRO CA . 18016 1 4 . 1 1 2 2 PRO CB C 13 32.3 0.2 . 1 . . . A 2 PRO CB . 18016 1 5 . 1 1 2 2 PRO CG C 13 27.2 0.2 . 1 . . . A 2 PRO CG . 18016 1 6 . 1 1 2 2 PRO CD C 13 49.6 0.2 . 1 . . . A 2 PRO CD . 18016 1 7 . 1 1 3 3 GLY H H 1 8.70 0.02 . 1 . . . A 3 GLY H . 18016 1 8 . 1 1 3 3 GLY C C 13 174.2 0.2 . 1 . . . A 3 GLY C . 18016 1 9 . 1 1 3 3 GLY CA C 13 45.4 0.2 . 1 . . . A 3 GLY CA . 18016 1 10 . 1 1 3 3 GLY N N 15 110.0 0.2 . 1 . . . A 3 GLY N . 18016 1 11 . 1 1 4 4 SER H H 1 8.21 0.02 . 1 . . . A 4 SER H . 18016 1 12 . 1 1 4 4 SER HA H 1 4.44 0.02 . 1 . . . A 4 SER HA . 18016 1 13 . 1 1 4 4 SER HB2 H 1 3.86 0.02 . 2 . . . A 4 SER HB2 . 18016 1 14 . 1 1 4 4 SER HB3 H 1 3.86 0.02 . 2 . . . A 4 SER HB3 . 18016 1 15 . 1 1 4 4 SER C C 13 174.8 0.2 . 1 . . . A 4 SER C . 18016 1 16 . 1 1 4 4 SER CA C 13 58.4 0.2 . 1 . . . A 4 SER CA . 18016 1 17 . 1 1 4 4 SER CB C 13 63.8 0.2 . 1 . . . A 4 SER CB . 18016 1 18 . 1 1 4 4 SER N N 15 115.4 0.2 . 1 . . . A 4 SER N . 18016 1 19 . 1 1 5 5 MET H H 1 8.57 0.02 . 1 . . . A 5 MET H . 18016 1 20 . 1 1 5 5 MET HA H 1 4.51 0.02 . 1 . . . A 5 MET HA . 18016 1 21 . 1 1 5 5 MET HB2 H 1 2.09 0.02 . 2 . . . A 5 MET HB2 . 18016 1 22 . 1 1 5 5 MET HB3 H 1 1.99 0.02 . 2 . . . A 5 MET HB3 . 18016 1 23 . 1 1 5 5 MET HG2 H 1 2.59 0.02 . 2 . . . A 5 MET HG2 . 18016 1 24 . 1 1 5 5 MET HG3 H 1 2.50 0.02 . 2 . . . A 5 MET HG3 . 18016 1 25 . 1 1 5 5 MET HE1 H 1 2.03 0.02 . 1 . . . A 5 MET HE1 . 18016 1 26 . 1 1 5 5 MET HE2 H 1 2.03 0.02 . 1 . . . A 5 MET HE2 . 18016 1 27 . 1 1 5 5 MET HE3 H 1 2.03 0.02 . 1 . . . A 5 MET HE3 . 18016 1 28 . 1 1 5 5 MET CA C 13 55.6 0.2 . 1 . . . A 5 MET CA . 18016 1 29 . 1 1 5 5 MET CB C 13 32.9 0.2 . 1 . . . A 5 MET CB . 18016 1 30 . 1 1 5 5 MET CG C 13 32.0 0.2 . 1 . . . A 5 MET CG . 18016 1 31 . 1 1 5 5 MET CE C 13 17.0 0.2 . 1 . . . A 5 MET CE . 18016 1 32 . 1 1 5 5 MET N N 15 122.2 0.2 . 1 . . . A 5 MET N . 18016 1 33 . 1 1 6 6 VAL H H 1 8.15 0.02 . 1 . . . A 6 VAL H . 18016 1 34 . 1 1 6 6 VAL HA H 1 4.05 0.02 . 1 . . . A 6 VAL HA . 18016 1 35 . 1 1 6 6 VAL HB H 1 2.08 0.02 . 1 . . . A 6 VAL HB . 18016 1 36 . 1 1 6 6 VAL HG11 H 1 0.91 0.02 . 2 . . . A 6 VAL HG11 . 18016 1 37 . 1 1 6 6 VAL HG12 H 1 0.91 0.02 . 2 . . . A 6 VAL HG12 . 18016 1 38 . 1 1 6 6 VAL HG13 H 1 0.91 0.02 . 2 . . . A 6 VAL HG13 . 18016 1 39 . 1 1 6 6 VAL HG21 H 1 0.89 0.02 . 2 . . . A 6 VAL HG21 . 18016 1 40 . 1 1 6 6 VAL HG22 H 1 0.89 0.02 . 2 . . . A 6 VAL HG22 . 18016 1 41 . 1 1 6 6 VAL HG23 H 1 0.89 0.02 . 2 . . . A 6 VAL HG23 . 18016 1 42 . 1 1 6 6 VAL C C 13 175.7 0.2 . 1 . . . A 6 VAL C . 18016 1 43 . 1 1 6 6 VAL CA C 13 62.7 0.2 . 1 . . . A 6 VAL CA . 18016 1 44 . 1 1 6 6 VAL CB C 13 32.5 0.2 . 1 . . . A 6 VAL CB . 18016 1 45 . 1 1 6 6 VAL CG1 C 13 20.6 0.2 . 2 . . . A 6 VAL CG1 . 18016 1 46 . 1 1 6 6 VAL CG2 C 13 21.2 0.2 . 2 . . . A 6 VAL CG2 . 18016 1 47 . 1 1 6 6 VAL N N 15 120.0 0.2 . 1 . . . A 6 VAL N . 18016 1 48 . 1 1 7 7 ASN H H 1 8.01 0.02 . 1 . . . A 7 ASN H . 18016 1 49 . 1 1 7 7 ASN HA H 1 4.66 0.02 . 1 . . . A 7 ASN HA . 18016 1 50 . 1 1 7 7 ASN HB2 H 1 2.96 0.02 . 2 . . . A 7 ASN HB2 . 18016 1 51 . 1 1 7 7 ASN HB3 H 1 2.92 0.02 . 2 . . . A 7 ASN HB3 . 18016 1 52 . 1 1 7 7 ASN HD21 H 1 7.82 0.02 . 2 . . . A 7 ASN HD21 . 18016 1 53 . 1 1 7 7 ASN HD22 H 1 7.09 0.02 . 2 . . . A 7 ASN HD22 . 18016 1 54 . 1 1 7 7 ASN C C 13 175.2 0.2 . 1 . . . A 7 ASN C . 18016 1 55 . 1 1 7 7 ASN CA C 13 53.2 0.2 . 1 . . . A 7 ASN CA . 18016 1 56 . 1 1 7 7 ASN CB C 13 38.9 0.2 . 1 . . . A 7 ASN CB . 18016 1 57 . 1 1 7 7 ASN N N 15 122.0 0.2 . 1 . . . A 7 ASN N . 18016 1 58 . 1 1 7 7 ASN ND2 N 15 113.1 0.2 . 1 . . . A 7 ASN ND2 . 18016 1 59 . 1 1 8 8 ALA H H 1 9.02 0.2 . 1 . . . A 8 ALA H . 18016 1 60 . 1 1 8 8 ALA HB1 H 1 1.51 0.02 . 1 . . . A 8 ALA HB1 . 18016 1 61 . 1 1 8 8 ALA HB2 H 1 1.51 0.02 . 1 . . . A 8 ALA HB2 . 18016 1 62 . 1 1 8 8 ALA HB3 H 1 1.51 0.02 . 1 . . . A 8 ALA HB3 . 18016 1 63 . 1 1 8 8 ALA C C 13 180.2 0.2 . 1 . . . A 8 ALA C . 18016 1 64 . 1 1 8 8 ALA CA C 13 55.5 0.2 . 1 . . . A 8 ALA CA . 18016 1 65 . 1 1 8 8 ALA CB C 13 18.4 0.2 . 1 . . . A 8 ALA CB . 18016 1 66 . 1 1 8 8 ALA N N 15 126.5 0.2 . 1 . . . A 8 ALA N . 18016 1 67 . 1 1 9 9 PHE H H 1 8.57 0.02 . 1 . . . A 9 PHE H . 18016 1 68 . 1 1 9 9 PHE HA H 1 4.29 0.02 . 1 . . . A 9 PHE HA . 18016 1 69 . 1 1 9 9 PHE HB2 H 1 3.39 0.02 . 2 . . . A 9 PHE HB2 . 18016 1 70 . 1 1 9 9 PHE HB3 H 1 3.12 0.02 . 2 . . . A 9 PHE HB3 . 18016 1 71 . 1 1 9 9 PHE HD1 H 1 7.09 0.02 . 3 . . . A 9 PHE HD1 . 18016 1 72 . 1 1 9 9 PHE HD2 H 1 7.09 0.02 . 3 . . . A 9 PHE HD2 . 18016 1 73 . 1 1 9 9 PHE HE1 H 1 7.08 0.02 . 3 . . . A 9 PHE HE1 . 18016 1 74 . 1 1 9 9 PHE HE2 H 1 7.08 0.02 . 3 . . . A 9 PHE HE2 . 18016 1 75 . 1 1 9 9 PHE C C 13 177.2 0.2 . 1 . . . A 9 PHE C . 18016 1 76 . 1 1 9 9 PHE CA C 13 61.3 0.2 . 1 . . . A 9 PHE CA . 18016 1 77 . 1 1 9 9 PHE CB C 13 39.2 0.2 . 1 . . . A 9 PHE CB . 18016 1 78 . 1 1 9 9 PHE CD1 C 13 131.7 0.2 . 3 . . . A 9 PHE CD1 . 18016 1 79 . 1 1 9 9 PHE CD2 C 13 131.7 0.2 . 3 . . . A 9 PHE CD2 . 18016 1 80 . 1 1 9 9 PHE CE1 C 13 129.7 0.2 . 3 . . . A 9 PHE CE1 . 18016 1 81 . 1 1 9 9 PHE CE2 C 13 129.7 0.2 . 3 . . . A 9 PHE CE2 . 18016 1 82 . 1 1 9 9 PHE N N 15 121.3 0.2 . 1 . . . A 9 PHE N . 18016 1 83 . 1 1 10 10 LEU H H 1 8.15 0.02 . 1 . . . A 10 LEU H . 18016 1 84 . 1 1 10 10 LEU HA H 1 3.70 0.02 . 1 . . . A 10 LEU HA . 18016 1 85 . 1 1 10 10 LEU HB2 H 1 1.81 0.02 . 2 . . . A 10 LEU HB2 . 18016 1 86 . 1 1 10 10 LEU HB3 H 1 1.33 0.02 . 2 . . . A 10 LEU HB3 . 18016 1 87 . 1 1 10 10 LEU HG H 1 1.08 0.02 . 1 . . . A 10 LEU HG . 18016 1 88 . 1 1 10 10 LEU HD11 H 1 0.89 0.02 . 2 . . . A 10 LEU HD11 . 18016 1 89 . 1 1 10 10 LEU HD12 H 1 0.89 0.02 . 2 . . . A 10 LEU HD12 . 18016 1 90 . 1 1 10 10 LEU HD13 H 1 0.89 0.02 . 2 . . . A 10 LEU HD13 . 18016 1 91 . 1 1 10 10 LEU HD21 H 1 0.89 0.02 . 2 . . . A 10 LEU HD21 . 18016 1 92 . 1 1 10 10 LEU HD22 H 1 0.89 0.02 . 2 . . . A 10 LEU HD22 . 18016 1 93 . 1 1 10 10 LEU HD23 H 1 0.89 0.02 . 2 . . . A 10 LEU HD23 . 18016 1 94 . 1 1 10 10 LEU C C 13 179.7 0.2 . 1 . . . A 10 LEU C . 18016 1 95 . 1 1 10 10 LEU CA C 13 57.6 0.2 . 1 . . . A 10 LEU CA . 18016 1 96 . 1 1 10 10 LEU CB C 13 40.7 0.2 . 1 . . . A 10 LEU CB . 18016 1 97 . 1 1 10 10 LEU CG C 13 26.1 0.2 . 1 . . . A 10 LEU CG . 18016 1 98 . 1 1 10 10 LEU CD1 C 13 22.3 0.2 . 2 . . . A 10 LEU CD1 . 18016 1 99 . 1 1 10 10 LEU CD2 C 13 22.3 0.2 . 2 . . . A 10 LEU CD2 . 18016 1 100 . 1 1 10 10 LEU N N 15 117.2 0.2 . 1 . . . A 10 LEU N . 18016 1 101 . 1 1 11 11 ALA H H 1 8.46 0.02 . 1 . . . A 11 ALA H . 18016 1 102 . 1 1 11 11 ALA HA H 1 4.02 0.02 . 1 . . . A 11 ALA HA . 18016 1 103 . 1 1 11 11 ALA HB1 H 1 1.43 0.02 . 1 . . . A 11 ALA HB1 . 18016 1 104 . 1 1 11 11 ALA HB2 H 1 1.43 0.02 . 1 . . . A 11 ALA HB2 . 18016 1 105 . 1 1 11 11 ALA HB3 H 1 1.43 0.02 . 1 . . . A 11 ALA HB3 . 18016 1 106 . 1 1 11 11 ALA C C 13 180.9 0.2 . 1 . . . A 11 ALA C . 18016 1 107 . 1 1 11 11 ALA CA C 13 55.0 0.2 . 1 . . . A 11 ALA CA . 18016 1 108 . 1 1 11 11 ALA CB C 13 18.0 0.2 . 1 . . . A 11 ALA CB . 18016 1 109 . 1 1 11 11 ALA N N 15 121.5 0.2 . 1 . . . A 11 ALA N . 18016 1 110 . 1 1 12 12 LYS H H 1 7.82 0.02 . 1 . . . A 12 LYS H . 18016 1 111 . 1 1 12 12 LYS HA H 1 4.05 0.02 . 1 . . . A 12 LYS HA . 18016 1 112 . 1 1 12 12 LYS HB2 H 1 1.89 0.02 . 2 . . . A 12 LYS HB2 . 18016 1 113 . 1 1 12 12 LYS HB3 H 1 1.89 0.02 . 2 . . . A 12 LYS HB3 . 18016 1 114 . 1 1 12 12 LYS HG2 H 1 1.49 0.02 . 2 . . . A 12 LYS HG2 . 18016 1 115 . 1 1 12 12 LYS HG3 H 1 1.49 0.02 . 2 . . . A 12 LYS HG3 . 18016 1 116 . 1 1 12 12 LYS HD2 H 1 1.72 0.02 . 2 . . . A 12 LYS HD2 . 18016 1 117 . 1 1 12 12 LYS HD3 H 1 1.65 0.02 . 2 . . . A 12 LYS HD3 . 18016 1 118 . 1 1 12 12 LYS HE2 H 1 2.93 0.02 . 2 . . . A 12 LYS HE2 . 18016 1 119 . 1 1 12 12 LYS HE3 H 1 2.88 0.02 . 2 . . . A 12 LYS HE3 . 18016 1 120 . 1 1 12 12 LYS C C 13 179.7 0.2 . 1 . . . A 12 LYS C . 18016 1 121 . 1 1 12 12 LYS CA C 13 59.2 0.2 . 1 . . . A 12 LYS CA . 18016 1 122 . 1 1 12 12 LYS CB C 13 31.6 0.2 . 1 . . . A 12 LYS CB . 18016 1 123 . 1 1 12 12 LYS CG C 13 24.6 0.2 . 1 . . . A 12 LYS CG . 18016 1 124 . 1 1 12 12 LYS CD C 13 29.7 0.2 . 1 . . . A 12 LYS CD . 18016 1 125 . 1 1 12 12 LYS CE C 13 42.0 0.2 . 1 . . . A 12 LYS CE . 18016 1 126 . 1 1 12 12 LYS N N 15 120.7 0.2 . 1 . . . A 12 LYS N . 18016 1 127 . 1 1 13 13 ILE H H 1 7.64 0.02 . 1 . . . A 13 ILE H . 18016 1 128 . 1 1 13 13 ILE HA H 1 3.69 0.02 . 1 . . . A 13 ILE HA . 18016 1 129 . 1 1 13 13 ILE HB H 1 1.91 0.02 . 1 . . . A 13 ILE HB . 18016 1 130 . 1 1 13 13 ILE HG12 H 1 0.78 0.02 . 2 . . . A 13 ILE HG12 . 18016 1 131 . 1 1 13 13 ILE HG13 H 1 0.78 0.02 . 2 . . . A 13 ILE HG13 . 18016 1 132 . 1 1 13 13 ILE HG21 H 1 0.91 0.02 . 1 . . . A 13 ILE HG21 . 18016 1 133 . 1 1 13 13 ILE HG22 H 1 0.91 0.02 . 1 . . . A 13 ILE HG22 . 18016 1 134 . 1 1 13 13 ILE HG23 H 1 0.91 0.02 . 1 . . . A 13 ILE HG23 . 18016 1 135 . 1 1 13 13 ILE HD11 H 1 -0.02 0.02 . 1 . . . A 13 ILE HD11 . 18016 1 136 . 1 1 13 13 ILE HD12 H 1 -0.02 0.02 . 1 . . . A 13 ILE HD12 . 18016 1 137 . 1 1 13 13 ILE HD13 H 1 -0.02 0.02 . 1 . . . A 13 ILE HD13 . 18016 1 138 . 1 1 13 13 ILE C C 13 178.1 0.2 . 1 . . . A 13 ILE C . 18016 1 139 . 1 1 13 13 ILE CA C 13 63.0 0.2 . 1 . . . A 13 ILE CA . 18016 1 140 . 1 1 13 13 ILE CB C 13 35.4 0.2 . 1 . . . A 13 ILE CB . 18016 1 141 . 1 1 13 13 ILE CG1 C 13 27.3 0.2 . 1 . . . A 13 ILE CG1 . 18016 1 142 . 1 1 13 13 ILE CG2 C 13 18.0 0.2 . 1 . . . A 13 ILE CG2 . 18016 1 143 . 1 1 13 13 ILE CD1 C 13 10.4 0.2 . 1 . . . A 13 ILE CD1 . 18016 1 144 . 1 1 13 13 ILE N N 15 120.1 0.2 . 1 . . . A 13 ILE N . 18016 1 145 . 1 1 14 14 ALA H H 1 8.68 0.02 . 1 . . . A 14 ALA H . 18016 1 146 . 1 1 14 14 ALA HA H 1 3.86 0.02 . 1 . . . A 14 ALA HA . 18016 1 147 . 1 1 14 14 ALA HB1 H 1 1.44 0.02 . 1 . . . A 14 ALA HB1 . 18016 1 148 . 1 1 14 14 ALA HB2 H 1 1.44 0.02 . 1 . . . A 14 ALA HB2 . 18016 1 149 . 1 1 14 14 ALA HB3 H 1 1.44 0.02 . 1 . . . A 14 ALA HB3 . 18016 1 150 . 1 1 14 14 ALA C C 13 179.0 0.2 . 1 . . . A 14 ALA C . 18016 1 151 . 1 1 14 14 ALA CA C 13 56.0 0.2 . 1 . . . A 14 ALA CA . 18016 1 152 . 1 1 14 14 ALA CB C 13 18.0 0.2 . 1 . . . A 14 ALA CB . 18016 1 153 . 1 1 14 14 ALA N N 15 122.7 0.2 . 1 . . . A 14 ALA N . 18016 1 154 . 1 1 15 15 ALA H H 1 8.07 0.02 . 1 . . . A 15 ALA H . 18016 1 155 . 1 1 15 15 ALA HA H 1 4.09 0.02 . 1 . . . A 15 ALA HA . 18016 1 156 . 1 1 15 15 ALA HB1 H 1 1.50 0.02 . 1 . . . A 15 ALA HB1 . 18016 1 157 . 1 1 15 15 ALA HB2 H 1 1.50 0.02 . 1 . . . A 15 ALA HB2 . 18016 1 158 . 1 1 15 15 ALA HB3 H 1 1.50 0.02 . 1 . . . A 15 ALA HB3 . 18016 1 159 . 1 1 15 15 ALA C C 13 180.4 0.2 . 1 . . . A 15 ALA C . 18016 1 160 . 1 1 15 15 ALA CA C 13 55.0 0.2 . 1 . . . A 15 ALA CA . 18016 1 161 . 1 1 15 15 ALA CB C 13 17.7 0.2 . 1 . . . A 15 ALA CB . 18016 1 162 . 1 1 15 15 ALA N N 15 118.7 0.2 . 1 . . . A 15 ALA N . 18016 1 163 . 1 1 16 16 TRP H H 1 7.82 0.02 . 1 . . . A 16 TRP H . 18016 1 164 . 1 1 16 16 TRP HA H 1 4.56 0.02 . 1 . . . A 16 TRP HA . 18016 1 165 . 1 1 16 16 TRP HB2 H 1 3.58 0.02 . 2 . . . A 16 TRP HB2 . 18016 1 166 . 1 1 16 16 TRP HB3 H 1 3.17 0.02 . 2 . . . A 16 TRP HB3 . 18016 1 167 . 1 1 16 16 TRP HD1 H 1 7.08 0.02 . 1 . . . A 16 TRP HD1 . 18016 1 168 . 1 1 16 16 TRP HE1 H 1 9.37 0.02 . 1 . . . A 16 TRP HE1 . 18016 1 169 . 1 1 16 16 TRP HE3 H 1 7.66 0.02 . 1 . . . A 16 TRP HE3 . 18016 1 170 . 1 1 16 16 TRP HZ2 H 1 7.22 0.02 . 1 . . . A 16 TRP HZ2 . 18016 1 171 . 1 1 16 16 TRP HZ3 H 1 6.43 0.02 . 1 . . . A 16 TRP HZ3 . 18016 1 172 . 1 1 16 16 TRP HH2 H 1 6.04 0.02 . 1 . . . A 16 TRP HH2 . 18016 1 173 . 1 1 16 16 TRP C C 13 178.4 0.2 . 1 . . . A 16 TRP C . 18016 1 174 . 1 1 16 16 TRP CA C 13 59.6 0.2 . 1 . . . A 16 TRP CA . 18016 1 175 . 1 1 16 16 TRP CB C 13 28.3 0.2 . 1 . . . A 16 TRP CB . 18016 1 176 . 1 1 16 16 TRP CD1 C 13 127.2 0.2 . 1 . . . A 16 TRP CD1 . 18016 1 177 . 1 1 16 16 TRP CE3 C 13 120.3 0.2 . 1 . . . A 16 TRP CE3 . 18016 1 178 . 1 1 16 16 TRP CZ2 C 13 116.2 0.2 . 1 . . . A 16 TRP CZ2 . 18016 1 179 . 1 1 16 16 TRP CZ3 C 13 120.3 0.2 . 1 . . . A 16 TRP CZ3 . 18016 1 180 . 1 1 16 16 TRP CH2 C 13 123.2 0.2 . 1 . . . A 16 TRP CH2 . 18016 1 181 . 1 1 16 16 TRP N N 15 122.9 0.2 . 1 . . . A 16 TRP N . 18016 1 182 . 1 1 16 16 TRP NE1 N 15 131.7 0.2 . 1 . . . A 16 TRP NE1 . 18016 1 183 . 1 1 17 17 LEU H H 1 8.63 0.02 . 1 . . . A 17 LEU H . 18016 1 184 . 1 1 17 17 LEU HA H 1 3.61 0.02 . 1 . . . A 17 LEU HA . 18016 1 185 . 1 1 17 17 LEU HB2 H 1 1.99 0.02 . 2 . . . A 17 LEU HB2 . 18016 1 186 . 1 1 17 17 LEU HB3 H 1 1.15 0.02 . 2 . . . A 17 LEU HB3 . 18016 1 187 . 1 1 17 17 LEU HG H 1 0.77 0.02 . 1 . . . A 17 LEU HG . 18016 1 188 . 1 1 17 17 LEU HD11 H 1 0.55 0.02 . 2 . . . A 17 LEU HD11 . 18016 1 189 . 1 1 17 17 LEU HD12 H 1 0.55 0.02 . 2 . . . A 17 LEU HD12 . 18016 1 190 . 1 1 17 17 LEU HD13 H 1 0.55 0.02 . 2 . . . A 17 LEU HD13 . 18016 1 191 . 1 1 17 17 LEU HD21 H 1 0.55 0.02 . 2 . . . A 17 LEU HD21 . 18016 1 192 . 1 1 17 17 LEU HD22 H 1 0.55 0.02 . 2 . . . A 17 LEU HD22 . 18016 1 193 . 1 1 17 17 LEU HD23 H 1 0.55 0.02 . 2 . . . A 17 LEU HD23 . 18016 1 194 . 1 1 17 17 LEU C C 13 179.0 0.2 . 1 . . . A 17 LEU C . 18016 1 195 . 1 1 17 17 LEU CA C 13 57.9 0.2 . 1 . . . A 17 LEU CA . 18016 1 196 . 1 1 17 17 LEU CB C 13 42.0 0.2 . 1 . . . A 17 LEU CB . 18016 1 197 . 1 1 17 17 LEU CG C 13 26.5 0.2 . 1 . . . A 17 LEU CG . 18016 1 198 . 1 1 17 17 LEU CD1 C 13 25.6 0.2 . 2 . . . A 17 LEU CD1 . 18016 1 199 . 1 1 17 17 LEU CD2 C 13 24.7 0.2 . 2 . . . A 17 LEU CD2 . 18016 1 200 . 1 1 17 17 LEU N N 15 120.4 0.2 . 1 . . . A 17 LEU N . 18016 1 201 . 1 1 18 18 ASN H H 1 8.35 0.02 . 1 . . . A 18 ASN H . 18016 1 202 . 1 1 18 18 ASN HA H 1 4.31 0.02 . 1 . . . A 18 ASN HA . 18016 1 203 . 1 1 18 18 ASN HB2 H 1 2.83 0.02 . 2 . . . A 18 ASN HB2 . 18016 1 204 . 1 1 18 18 ASN HB3 H 1 2.59 0.02 . 2 . . . A 18 ASN HB3 . 18016 1 205 . 1 1 18 18 ASN HD21 H 1 7.52 0.02 . 2 . . . A 18 ASN HD21 . 18016 1 206 . 1 1 18 18 ASN HD22 H 1 7.31 0.02 . 2 . . . A 18 ASN HD22 . 18016 1 207 . 1 1 18 18 ASN C C 13 177.1 0.2 . 1 . . . A 18 ASN C . 18016 1 208 . 1 1 18 18 ASN CA C 13 55.6 0.2 . 1 . . . A 18 ASN CA . 18016 1 209 . 1 1 18 18 ASN CB C 13 39.2 0.2 . 1 . . . A 18 ASN CB . 18016 1 210 . 1 1 18 18 ASN N N 15 116.2 0.2 . 1 . . . A 18 ASN N . 18016 1 211 . 1 1 18 18 ASN ND2 N 15 112.2 0.2 . 1 . . . A 18 ASN ND2 . 18016 1 212 . 1 1 19 19 ALA H H 1 7.92 0.02 . 1 . . . A 19 ALA H . 18016 1 213 . 1 1 19 19 ALA HA H 1 4.09 0.02 . 1 . . . A 19 ALA HA . 18016 1 214 . 1 1 19 19 ALA HB1 H 1 1.49 0.02 . 1 . . . A 19 ALA HB1 . 18016 1 215 . 1 1 19 19 ALA HB2 H 1 1.49 0.02 . 1 . . . A 19 ALA HB2 . 18016 1 216 . 1 1 19 19 ALA HB3 H 1 1.49 0.02 . 1 . . . A 19 ALA HB3 . 18016 1 217 . 1 1 19 19 ALA C C 13 180.1 0.2 . 1 . . . A 19 ALA C . 18016 1 218 . 1 1 19 19 ALA CA C 13 54.2 0.2 . 1 . . . A 19 ALA CA . 18016 1 219 . 1 1 19 19 ALA CB C 13 17.6 0.2 . 1 . . . A 19 ALA CB . 18016 1 220 . 1 1 19 19 ALA N N 15 119.6 0.2 . 1 . . . A 19 ALA N . 18016 1 221 . 1 1 20 20 GLY H H 1 7.70 0.02 . 1 . . . A 20 GLY H . 18016 1 222 . 1 1 20 20 GLY HA2 H 1 3.73 0.02 . 2 . . . A 20 GLY HA2 . 18016 1 223 . 1 1 20 20 GLY HA3 H 1 3.11 0.02 . 2 . . . A 20 GLY HA3 . 18016 1 224 . 1 1 20 20 GLY C C 13 173.8 0.2 . 1 . . . A 20 GLY C . 18016 1 225 . 1 1 20 20 GLY CA C 13 45.8 0.2 . 1 . . . A 20 GLY CA . 18016 1 226 . 1 1 20 20 GLY N N 15 103.5 0.2 . 1 . . . A 20 GLY N . 18016 1 227 . 1 1 21 21 TYR H H 1 7.98 0.02 . 1 . . . A 21 TYR H . 18016 1 228 . 1 1 21 21 TYR HA H 1 5.17 0.02 . 1 . . . A 21 TYR HA . 18016 1 229 . 1 1 21 21 TYR HB2 H 1 2.72 0.02 . 2 . . . A 21 TYR HB2 . 18016 1 230 . 1 1 21 21 TYR HB3 H 1 2.59 0.02 . 2 . . . A 21 TYR HB3 . 18016 1 231 . 1 1 21 21 TYR HD1 H 1 7.08 0.02 . 3 . . . A 21 TYR HD1 . 18016 1 232 . 1 1 21 21 TYR HD2 H 1 7.08 0.02 . 3 . . . A 21 TYR HD2 . 18016 1 233 . 1 1 21 21 TYR HE1 H 1 6.57 0.02 . 3 . . . A 21 TYR HE1 . 18016 1 234 . 1 1 21 21 TYR HE2 H 1 6.57 0.02 . 3 . . . A 21 TYR HE2 . 18016 1 235 . 1 1 21 21 TYR CA C 13 56.4 0.2 . 1 . . . A 21 TYR CA . 18016 1 236 . 1 1 21 21 TYR CB C 13 37.8 0.2 . 1 . . . A 21 TYR CB . 18016 1 237 . 1 1 21 21 TYR CD1 C 13 133.5 0.2 . 3 . . . A 21 TYR CD1 . 18016 1 238 . 1 1 21 21 TYR CD2 C 13 133.5 0.2 . 3 . . . A 21 TYR CD2 . 18016 1 239 . 1 1 21 21 TYR CE1 C 13 118.0 0.2 . 3 . . . A 21 TYR CE1 . 18016 1 240 . 1 1 21 21 TYR CE2 C 13 118.0 0.2 . 3 . . . A 21 TYR CE2 . 18016 1 241 . 1 1 21 21 TYR N N 15 119.9 0.2 . 1 . . . A 21 TYR N . 18016 1 242 . 1 1 22 22 PRO HA H 1 4.50 0.02 . 1 . . . A 22 PRO HA . 18016 1 243 . 1 1 22 22 PRO HB2 H 1 2.41 0.02 . 2 . . . A 22 PRO HB2 . 18016 1 244 . 1 1 22 22 PRO HB3 H 1 2.41 0.02 . 2 . . . A 22 PRO HB3 . 18016 1 245 . 1 1 22 22 PRO HG2 H 1 2.04 0.02 . 2 . . . A 22 PRO HG2 . 18016 1 246 . 1 1 22 22 PRO HG3 H 1 2.04 0.02 . 2 . . . A 22 PRO HG3 . 18016 1 247 . 1 1 22 22 PRO HD2 H 1 3.59 0.02 . 2 . . . A 22 PRO HD2 . 18016 1 248 . 1 1 22 22 PRO HD3 H 1 3.37 0.02 . 2 . . . A 22 PRO HD3 . 18016 1 249 . 1 1 22 22 PRO C C 13 178.7 0.2 . 1 . . . A 22 PRO C . 18016 1 250 . 1 1 22 22 PRO CA C 13 65.0 0.2 . 1 . . . A 22 PRO CA . 18016 1 251 . 1 1 22 22 PRO CB C 13 32.0 0.2 . 1 . . . A 22 PRO CB . 18016 1 252 . 1 1 22 22 PRO CG C 13 27.4 0.2 . 1 . . . A 22 PRO CG . 18016 1 253 . 1 1 22 22 PRO CD C 13 49.8 0.2 . 1 . . . A 22 PRO CD . 18016 1 254 . 1 1 23 23 GLU H H 1 8.68 0.02 . 1 . . . A 23 GLU H . 18016 1 255 . 1 1 23 23 GLU HA H 1 4.57 0.02 . 1 . . . A 23 GLU HA . 18016 1 256 . 1 1 23 23 GLU HB2 H 1 2.29 0.02 . 2 . . . A 23 GLU HB2 . 18016 1 257 . 1 1 23 23 GLU HB3 H 1 1.82 0.02 . 2 . . . A 23 GLU HB3 . 18016 1 258 . 1 1 23 23 GLU HG2 H 1 2.14 0.02 . 2 . . . A 23 GLU HG2 . 18016 1 259 . 1 1 23 23 GLU HG3 H 1 2.14 0.02 . 2 . . . A 23 GLU HG3 . 18016 1 260 . 1 1 23 23 GLU C C 13 176.3 0.2 . 1 . . . A 23 GLU C . 18016 1 261 . 1 1 23 23 GLU CA C 13 54.6 0.2 . 1 . . . A 23 GLU CA . 18016 1 262 . 1 1 23 23 GLU CB C 13 29.5 0.2 . 1 . . . A 23 GLU CB . 18016 1 263 . 1 1 23 23 GLU CG C 13 36.5 0.2 . 1 . . . A 23 GLU CG . 18016 1 264 . 1 1 23 23 GLU N N 15 116.3 0.2 . 1 . . . A 23 GLU N . 18016 1 265 . 1 1 24 24 GLY H H 1 7.23 0.02 . 1 . . . A 24 GLY H . 18016 1 266 . 1 1 24 24 GLY HA2 H 1 4.01 0.02 . 2 . . . A 24 GLY HA2 . 18016 1 267 . 1 1 24 24 GLY HA3 H 1 4.01 0.02 . 2 . . . A 24 GLY HA3 . 18016 1 268 . 1 1 24 24 GLY C C 13 173.1 0.2 . 1 . . . A 24 GLY C . 18016 1 269 . 1 1 24 24 GLY CA C 13 42.9 0.2 . 1 . . . A 24 GLY CA . 18016 1 270 . 1 1 24 24 GLY N N 15 108.1 0.2 . 1 . . . A 24 GLY N . 18016 1 271 . 1 1 25 25 VAL H H 1 8.05 0.02 . 1 . . . A 25 VAL H . 18016 1 272 . 1 1 25 25 VAL HA H 1 3.59 0.02 . 1 . . . A 25 VAL HA . 18016 1 273 . 1 1 25 25 VAL HB H 1 1.54 0.02 . 1 . . . A 25 VAL HB . 18016 1 274 . 1 1 25 25 VAL HG11 H 1 0.32 0.02 . 2 . . . A 25 VAL HG11 . 18016 1 275 . 1 1 25 25 VAL HG12 H 1 0.32 0.02 . 2 . . . A 25 VAL HG12 . 18016 1 276 . 1 1 25 25 VAL HG13 H 1 0.32 0.02 . 2 . . . A 25 VAL HG13 . 18016 1 277 . 1 1 25 25 VAL HG21 H 1 0.29 0.02 . 2 . . . A 25 VAL HG21 . 18016 1 278 . 1 1 25 25 VAL HG22 H 1 0.29 0.02 . 2 . . . A 25 VAL HG22 . 18016 1 279 . 1 1 25 25 VAL HG23 H 1 0.29 0.02 . 2 . . . A 25 VAL HG23 . 18016 1 280 . 1 1 25 25 VAL CA C 13 59.3 0.2 . 1 . . . A 25 VAL CA . 18016 1 281 . 1 1 25 25 VAL CB C 13 32.1 0.2 . 1 . . . A 25 VAL CB . 18016 1 282 . 1 1 25 25 VAL CG1 C 13 19.7 0.2 . 2 . . . A 25 VAL CG1 . 18016 1 283 . 1 1 25 25 VAL CG2 C 13 20.8 0.2 . 2 . . . A 25 VAL CG2 . 18016 1 284 . 1 1 25 25 VAL N N 15 121.5 0.2 . 1 . . . A 25 VAL N . 18016 1 285 . 1 1 26 26 PRO HA H 1 4.32 0.02 . 1 . . . A 26 PRO HA . 18016 1 286 . 1 1 26 26 PRO HB2 H 1 2.32 0.02 . 2 . . . A 26 PRO HB2 . 18016 1 287 . 1 1 26 26 PRO HB3 H 1 1.75 0.02 . 2 . . . A 26 PRO HB3 . 18016 1 288 . 1 1 26 26 PRO HG2 H 1 1.92 0.02 . 2 . . . A 26 PRO HG2 . 18016 1 289 . 1 1 26 26 PRO HG3 H 1 1.92 0.02 . 2 . . . A 26 PRO HG3 . 18016 1 290 . 1 1 26 26 PRO HD2 H 1 4.12 0.02 . 2 . . . A 26 PRO HD2 . 18016 1 291 . 1 1 26 26 PRO HD3 H 1 3.46 0.02 . 2 . . . A 26 PRO HD3 . 18016 1 292 . 1 1 26 26 PRO C C 13 177.6 0.2 . 1 . . . A 26 PRO C . 18016 1 293 . 1 1 26 26 PRO CA C 13 62.9 0.2 . 1 . . . A 26 PRO CA . 18016 1 294 . 1 1 26 26 PRO CB C 13 33.1 0.2 . 1 . . . A 26 PRO CB . 18016 1 295 . 1 1 26 26 PRO CG C 13 27.4 0.2 . 1 . . . A 26 PRO CG . 18016 1 296 . 1 1 26 26 PRO CD C 13 52.1 0.2 . 1 . . . A 26 PRO CD . 18016 1 297 . 1 1 27 27 GLY H H 1 8.93 0.02 . 1 . . . A 27 GLY H . 18016 1 298 . 1 1 27 27 GLY HA2 H 1 4.18 0.02 . 2 . . . A 27 GLY HA2 . 18016 1 299 . 1 1 27 27 GLY HA3 H 1 3.48 0.02 . 2 . . . A 27 GLY HA3 . 18016 1 300 . 1 1 27 27 GLY CA C 13 49.1 0.2 . 1 . . . A 27 GLY CA . 18016 1 301 . 1 1 27 27 GLY N N 15 109.0 0.2 . 1 . . . A 27 GLY N . 18016 1 302 . 1 1 28 28 PRO HA H 1 4.39 0.02 . 1 . . . A 28 PRO HA . 18016 1 303 . 1 1 28 28 PRO HB2 H 1 2.41 0.02 . 2 . . . A 28 PRO HB2 . 18016 1 304 . 1 1 28 28 PRO HB3 H 1 1.78 0.02 . 2 . . . A 28 PRO HB3 . 18016 1 305 . 1 1 28 28 PRO HG2 H 1 1.99 0.02 . 2 . . . A 28 PRO HG2 . 18016 1 306 . 1 1 28 28 PRO HG3 H 1 1.99 0.02 . 2 . . . A 28 PRO HG3 . 18016 1 307 . 1 1 28 28 PRO HD2 H 1 3.71 0.02 . 2 . . . A 28 PRO HD2 . 18016 1 308 . 1 1 28 28 PRO HD3 H 1 3.36 0.02 . 2 . . . A 28 PRO HD3 . 18016 1 309 . 1 1 28 28 PRO C C 13 175.8 0.2 . 1 . . . A 28 PRO C . 18016 1 310 . 1 1 28 28 PRO CA C 13 64.4 0.2 . 1 . . . A 28 PRO CA . 18016 1 311 . 1 1 28 28 PRO CB C 13 31.9 0.2 . 1 . . . A 28 PRO CB . 18016 1 312 . 1 1 28 28 PRO CG C 13 27.5 0.2 . 1 . . . A 28 PRO CG . 18016 1 313 . 1 1 28 28 PRO CD C 13 51.7 0.2 . 1 . . . A 28 PRO CD . 18016 1 314 . 1 1 29 29 ASP H H 1 7.76 0.02 . 1 . . . A 29 ASP H . 18016 1 315 . 1 1 29 29 ASP HA H 1 4.49 0.02 . 1 . . . A 29 ASP HA . 18016 1 316 . 1 1 29 29 ASP HB2 H 1 2.68 0.02 . 2 . . . A 29 ASP HB2 . 18016 1 317 . 1 1 29 29 ASP HB3 H 1 2.41 0.02 . 2 . . . A 29 ASP HB3 . 18016 1 318 . 1 1 29 29 ASP C C 13 177.0 0.2 . 1 . . . A 29 ASP C . 18016 1 319 . 1 1 29 29 ASP CA C 13 53.9 0.2 . 1 . . . A 29 ASP CA . 18016 1 320 . 1 1 29 29 ASP CB C 13 40.7 0.2 . 1 . . . A 29 ASP CB . 18016 1 321 . 1 1 29 29 ASP N N 15 115.0 0.2 . 1 . . . A 29 ASP N . 18016 1 322 . 1 1 30 30 ARG H H 1 7.46 0.02 . 1 . . . A 30 ARG H . 18016 1 323 . 1 1 30 30 ARG HA H 1 3.57 0.02 . 1 . . . A 30 ARG HA . 18016 1 324 . 1 1 30 30 ARG HB2 H 1 1.87 0.02 . 2 . . . A 30 ARG HB2 . 18016 1 325 . 1 1 30 30 ARG HB3 H 1 1.69 0.02 . 2 . . . A 30 ARG HB3 . 18016 1 326 . 1 1 30 30 ARG HG2 H 1 1.95 0.02 . 2 . . . A 30 ARG HG2 . 18016 1 327 . 1 1 30 30 ARG HG3 H 1 1.09 0.02 . 2 . . . A 30 ARG HG3 . 18016 1 328 . 1 1 30 30 ARG HD2 H 1 3.19 0.02 . 2 . . . A 30 ARG HD2 . 18016 1 329 . 1 1 30 30 ARG HD3 H 1 3.01 0.02 . 2 . . . A 30 ARG HD3 . 18016 1 330 . 1 1 30 30 ARG HE H 1 6.62 0.02 . 1 . . . A 30 ARG HE . 18016 1 331 . 1 1 30 30 ARG C C 13 176.5 0.2 . 1 . . . A 30 ARG C . 18016 1 332 . 1 1 30 30 ARG CA C 13 61.9 0.2 . 1 . . . A 30 ARG CA . 18016 1 333 . 1 1 30 30 ARG CB C 13 30.5 0.2 . 1 . . . A 30 ARG CB . 18016 1 334 . 1 1 30 30 ARG CG C 13 28.8 0.2 . 1 . . . A 30 ARG CG . 18016 1 335 . 1 1 30 30 ARG CD C 13 44.1 0.2 . 1 . . . A 30 ARG CD . 18016 1 336 . 1 1 30 30 ARG N N 15 119.9 0.2 . 1 . . . A 30 ARG N . 18016 1 337 . 1 1 30 30 ARG NE N 15 82.4 0.2 . 1 . . . A 30 ARG NE . 18016 1 338 . 1 1 31 31 VAL H H 1 9.08 0.02 . 1 . . . A 31 VAL H . 18016 1 339 . 1 1 31 31 VAL HA H 1 3.82 0.02 . 1 . . . A 31 VAL HA . 18016 1 340 . 1 1 31 31 VAL HB H 1 2.22 0.02 . 1 . . . A 31 VAL HB . 18016 1 341 . 1 1 31 31 VAL HG11 H 1 1.03 0.02 . 2 . . . A 31 VAL HG11 . 18016 1 342 . 1 1 31 31 VAL HG12 H 1 1.03 0.02 . 2 . . . A 31 VAL HG12 . 18016 1 343 . 1 1 31 31 VAL HG13 H 1 1.03 0.02 . 2 . . . A 31 VAL HG13 . 18016 1 344 . 1 1 31 31 VAL HG21 H 1 0.92 0.02 . 2 . . . A 31 VAL HG21 . 18016 1 345 . 1 1 31 31 VAL HG22 H 1 0.92 0.02 . 2 . . . A 31 VAL HG22 . 18016 1 346 . 1 1 31 31 VAL HG23 H 1 0.92 0.02 . 2 . . . A 31 VAL HG23 . 18016 1 347 . 1 1 31 31 VAL CA C 13 68.7 0.2 . 1 . . . A 31 VAL CA . 18016 1 348 . 1 1 31 31 VAL CB C 13 28.8 0.2 . 1 . . . A 31 VAL CB . 18016 1 349 . 1 1 31 31 VAL CG1 C 13 24.3 0.2 . 2 . . . A 31 VAL CG1 . 18016 1 350 . 1 1 31 31 VAL CG2 C 13 21.8 0.2 . 2 . . . A 31 VAL CG2 . 18016 1 351 . 1 1 31 31 VAL N N 15 117.6 0.2 . 1 . . . A 31 VAL N . 18016 1 352 . 1 1 32 32 PRO HG2 H 1 2.21 0.02 . 2 . . . A 32 PRO HG2 . 18016 1 353 . 1 1 32 32 PRO HG3 H 1 1.85 0.02 . 2 . . . A 32 PRO HG3 . 18016 1 354 . 1 1 32 32 PRO HD2 H 1 3.64 0.02 . 2 . . . A 32 PRO HD2 . 18016 1 355 . 1 1 32 32 PRO HD3 H 1 3.53 0.02 . 2 . . . A 32 PRO HD3 . 18016 1 356 . 1 1 32 32 PRO C C 13 177.0 0.2 . 1 . . . A 32 PRO C . 18016 1 357 . 1 1 32 32 PRO CA C 13 65.2 0.2 . 1 . . . A 32 PRO CA . 18016 1 358 . 1 1 32 32 PRO CB C 13 30.8 0.2 . 1 . . . A 32 PRO CB . 18016 1 359 . 1 1 32 32 PRO CG C 13 28.7 0.2 . 1 . . . A 32 PRO CG . 18016 1 360 . 1 1 32 32 PRO CD C 13 49.1 0.2 . 1 . . . A 32 PRO CD . 18016 1 361 . 1 1 33 33 LEU H H 1 8.01 0.02 . 1 . . . A 33 LEU H . 18016 1 362 . 1 1 33 33 LEU HA H 1 4.12 0.02 . 1 . . . A 33 LEU HA . 18016 1 363 . 1 1 33 33 LEU HB2 H 1 2.17 0.02 . 2 . . . A 33 LEU HB2 . 18016 1 364 . 1 1 33 33 LEU HB3 H 1 1.58 0.02 . 2 . . . A 33 LEU HB3 . 18016 1 365 . 1 1 33 33 LEU HG H 1 0.77 0.02 . 1 . . . A 33 LEU HG . 18016 1 366 . 1 1 33 33 LEU HD11 H 1 0.93 0.02 . 2 . . . A 33 LEU HD11 . 18016 1 367 . 1 1 33 33 LEU HD12 H 1 0.93 0.02 . 2 . . . A 33 LEU HD12 . 18016 1 368 . 1 1 33 33 LEU HD13 H 1 0.93 0.02 . 2 . . . A 33 LEU HD13 . 18016 1 369 . 1 1 33 33 LEU HD21 H 1 0.93 0.02 . 2 . . . A 33 LEU HD21 . 18016 1 370 . 1 1 33 33 LEU HD22 H 1 0.93 0.02 . 2 . . . A 33 LEU HD22 . 18016 1 371 . 1 1 33 33 LEU HD23 H 1 0.93 0.02 . 2 . . . A 33 LEU HD23 . 18016 1 372 . 1 1 33 33 LEU C C 13 178.6 0.2 . 1 . . . A 33 LEU C . 18016 1 373 . 1 1 33 33 LEU CA C 13 58.4 0.2 . 1 . . . A 33 LEU CA . 18016 1 374 . 1 1 33 33 LEU CB C 13 41.5 0.2 . 1 . . . A 33 LEU CB . 18016 1 375 . 1 1 33 33 LEU CG C 13 26.3 0.2 . 1 . . . A 33 LEU CG . 18016 1 376 . 1 1 33 33 LEU CD1 C 13 24.3 0.2 . 2 . . . A 33 LEU CD1 . 18016 1 377 . 1 1 33 33 LEU CD2 C 13 24.3 0.2 . 2 . . . A 33 LEU CD2 . 18016 1 378 . 1 1 33 33 LEU N N 15 115.2 0.2 . 1 . . . A 33 LEU N . 18016 1 379 . 1 1 34 34 LEU H H 1 8.22 0.02 . 1 . . . A 34 LEU H . 18016 1 380 . 1 1 34 34 LEU HA H 1 3.93 0.02 . 1 . . . A 34 LEU HA . 18016 1 381 . 1 1 34 34 LEU HB2 H 1 1.82 0.02 . 2 . . . A 34 LEU HB2 . 18016 1 382 . 1 1 34 34 LEU HB3 H 1 1.82 0.02 . 2 . . . A 34 LEU HB3 . 18016 1 383 . 1 1 34 34 LEU HG H 1 0.87 0.02 . 1 . . . A 34 LEU HG . 18016 1 384 . 1 1 34 34 LEU HD11 H 1 0.84 0.02 . 2 . . . A 34 LEU HD11 . 18016 1 385 . 1 1 34 34 LEU HD12 H 1 0.84 0.02 . 2 . . . A 34 LEU HD12 . 18016 1 386 . 1 1 34 34 LEU HD13 H 1 0.84 0.02 . 2 . . . A 34 LEU HD13 . 18016 1 387 . 1 1 34 34 LEU HD21 H 1 0.84 0.02 . 2 . . . A 34 LEU HD21 . 18016 1 388 . 1 1 34 34 LEU HD22 H 1 0.84 0.02 . 2 . . . A 34 LEU HD22 . 18016 1 389 . 1 1 34 34 LEU HD23 H 1 0.84 0.02 . 2 . . . A 34 LEU HD23 . 18016 1 390 . 1 1 34 34 LEU CA C 13 58.1 0.2 . 1 . . . A 34 LEU CA . 18016 1 391 . 1 1 34 34 LEU CB C 13 40.9 0.2 . 1 . . . A 34 LEU CB . 18016 1 392 . 1 1 34 34 LEU CG C 13 25.5 0.2 . 1 . . . A 34 LEU CG . 18016 1 393 . 1 1 34 34 LEU CD1 C 13 24.8 0.2 . 2 . . . A 34 LEU CD1 . 18016 1 394 . 1 1 34 34 LEU CD2 C 13 24.8 0.2 . 2 . . . A 34 LEU CD2 . 18016 1 395 . 1 1 34 34 LEU N N 15 120.4 0.2 . 1 . . . A 34 LEU N . 18016 1 396 . 1 1 35 35 ALA H H 1 8.56 0.02 . 1 . . . A 35 ALA H . 18016 1 397 . 1 1 35 35 ALA HA H 1 4.04 0.02 . 1 . . . A 35 ALA HA . 18016 1 398 . 1 1 35 35 ALA HB1 H 1 1.51 0.02 . 1 . . . A 35 ALA HB1 . 18016 1 399 . 1 1 35 35 ALA HB2 H 1 1.51 0.02 . 1 . . . A 35 ALA HB2 . 18016 1 400 . 1 1 35 35 ALA HB3 H 1 1.51 0.02 . 1 . . . A 35 ALA HB3 . 18016 1 401 . 1 1 35 35 ALA C C 13 179.5 0.2 . 1 . . . A 35 ALA C . 18016 1 402 . 1 1 35 35 ALA CA C 13 55.5 0.2 . 1 . . . A 35 ALA CA . 18016 1 403 . 1 1 35 35 ALA CB C 13 17.9 0.2 . 1 . . . A 35 ALA CB . 18016 1 404 . 1 1 35 35 ALA N N 15 123.1 0.2 . 1 . . . A 35 ALA N . 18016 1 405 . 1 1 36 36 LEU H H 1 7.85 0.02 . 1 . . . A 36 LEU H . 18016 1 406 . 1 1 36 36 LEU HA H 1 4.12 0.02 . 1 . . . A 36 LEU HA . 18016 1 407 . 1 1 36 36 LEU HB2 H 1 2.15 0.02 . 2 . . . A 36 LEU HB2 . 18016 1 408 . 1 1 36 36 LEU HB3 H 1 1.83 0.02 . 2 . . . A 36 LEU HB3 . 18016 1 409 . 1 1 36 36 LEU HG H 1 1.16 0.02 . 1 . . . A 36 LEU HG . 18016 1 410 . 1 1 36 36 LEU HD11 H 1 1.08 0.02 . 2 . . . A 36 LEU HD11 . 18016 1 411 . 1 1 36 36 LEU HD12 H 1 1.08 0.02 . 2 . . . A 36 LEU HD12 . 18016 1 412 . 1 1 36 36 LEU HD13 H 1 1.08 0.02 . 2 . . . A 36 LEU HD13 . 18016 1 413 . 1 1 36 36 LEU HD21 H 1 1.08 0.02 . 2 . . . A 36 LEU HD21 . 18016 1 414 . 1 1 36 36 LEU HD22 H 1 1.08 0.02 . 2 . . . A 36 LEU HD22 . 18016 1 415 . 1 1 36 36 LEU HD23 H 1 1.08 0.02 . 2 . . . A 36 LEU HD23 . 18016 1 416 . 1 1 36 36 LEU C C 13 180.1 0.2 . 1 . . . A 36 LEU C . 18016 1 417 . 1 1 36 36 LEU CA C 13 58.2 0.2 . 1 . . . A 36 LEU CA . 18016 1 418 . 1 1 36 36 LEU CB C 13 42.8 0.2 . 1 . . . A 36 LEU CB . 18016 1 419 . 1 1 36 36 LEU CG C 13 25.5 0.2 . 1 . . . A 36 LEU CG . 18016 1 420 . 1 1 36 36 LEU CD1 C 13 24.8 0.2 . 2 . . . A 36 LEU CD1 . 18016 1 421 . 1 1 36 36 LEU CD2 C 13 24.8 0.2 . 2 . . . A 36 LEU CD2 . 18016 1 422 . 1 1 36 36 LEU N N 15 117.6 0.2 . 1 . . . A 36 LEU N . 18016 1 423 . 1 1 37 37 LEU H H 1 8.73 0.02 . 1 . . . A 37 LEU H . 18016 1 424 . 1 1 37 37 LEU HA H 1 4.10 0.02 . 1 . . . A 37 LEU HA . 18016 1 425 . 1 1 37 37 LEU HG H 1 0.79 0.02 . 1 . . . A 37 LEU HG . 18016 1 426 . 1 1 37 37 LEU HD11 H 1 0.88 0.02 . 2 . . . A 37 LEU HD11 . 18016 1 427 . 1 1 37 37 LEU HD12 H 1 0.88 0.02 . 2 . . . A 37 LEU HD12 . 18016 1 428 . 1 1 37 37 LEU HD13 H 1 0.88 0.02 . 2 . . . A 37 LEU HD13 . 18016 1 429 . 1 1 37 37 LEU HD21 H 1 0.88 0.02 . 2 . . . A 37 LEU HD21 . 18016 1 430 . 1 1 37 37 LEU HD22 H 1 0.88 0.02 . 2 . . . A 37 LEU HD22 . 18016 1 431 . 1 1 37 37 LEU HD23 H 1 0.88 0.02 . 2 . . . A 37 LEU HD23 . 18016 1 432 . 1 1 37 37 LEU C C 13 180.1 0.2 . 1 . . . A 37 LEU C . 18016 1 433 . 1 1 37 37 LEU CA C 13 58.3 0.2 . 1 . . . A 37 LEU CA . 18016 1 434 . 1 1 37 37 LEU CB C 13 42.2 0.2 . 1 . . . A 37 LEU CB . 18016 1 435 . 1 1 37 37 LEU CG C 13 25.7 0.2 . 1 . . . A 37 LEU CG . 18016 1 436 . 1 1 37 37 LEU CD1 C 13 21.7 0.2 . 2 . . . A 37 LEU CD1 . 18016 1 437 . 1 1 37 37 LEU CD2 C 13 21.8 0.2 . 2 . . . A 37 LEU CD2 . 18016 1 438 . 1 1 37 37 LEU N N 15 116.7 0.2 . 1 . . . A 37 LEU N . 18016 1 439 . 1 1 38 38 THR H H 1 8.66 0.02 . 1 . . . A 38 THR H . 18016 1 440 . 1 1 38 38 THR HA H 1 4.44 0.02 . 1 . . . A 38 THR HA . 18016 1 441 . 1 1 38 38 THR HB H 1 4.43 0.02 . 1 . . . A 38 THR HB . 18016 1 442 . 1 1 38 38 THR HG21 H 1 1.34 0.02 . 1 . . . A 38 THR HG21 . 18016 1 443 . 1 1 38 38 THR HG22 H 1 1.34 0.02 . 1 . . . A 38 THR HG22 . 18016 1 444 . 1 1 38 38 THR HG23 H 1 1.34 0.02 . 1 . . . A 38 THR HG23 . 18016 1 445 . 1 1 38 38 THR C C 13 175.1 0.2 . 1 . . . A 38 THR C . 18016 1 446 . 1 1 38 38 THR CA C 13 64.2 0.2 . 1 . . . A 38 THR CA . 18016 1 447 . 1 1 38 38 THR CB C 13 70.0 0.2 . 1 . . . A 38 THR CB . 18016 1 448 . 1 1 38 38 THR CG2 C 13 21.9 0.2 . 1 . . . A 38 THR CG2 . 18016 1 449 . 1 1 38 38 THR N N 15 110.6 0.2 . 1 . . . A 38 THR N . 18016 1 450 . 1 1 39 39 ARG H H 1 7.18 0.02 . 1 . . . A 39 ARG H . 18016 1 451 . 1 1 39 39 ARG HA H 1 4.28 0.02 . 1 . . . A 39 ARG HA . 18016 1 452 . 1 1 39 39 ARG HB2 H 1 2.09 0.02 . 2 . . . A 39 ARG HB2 . 18016 1 453 . 1 1 39 39 ARG HB3 H 1 2.02 0.02 . 2 . . . A 39 ARG HB3 . 18016 1 454 . 1 1 39 39 ARG HG2 H 1 2.17 0.02 . 2 . . . A 39 ARG HG2 . 18016 1 455 . 1 1 39 39 ARG HG3 H 1 1.82 0.02 . 2 . . . A 39 ARG HG3 . 18016 1 456 . 1 1 39 39 ARG HD2 H 1 3.30 0.02 . 2 . . . A 39 ARG HD2 . 18016 1 457 . 1 1 39 39 ARG HD3 H 1 3.30 0.02 . 2 . . . A 39 ARG HD3 . 18016 1 458 . 1 1 39 39 ARG C C 13 177.3 0.2 . 1 . . . A 39 ARG C . 18016 1 459 . 1 1 39 39 ARG CA C 13 58.3 0.2 . 1 . . . A 39 ARG CA . 18016 1 460 . 1 1 39 39 ARG CB C 13 30.2 0.2 . 1 . . . A 39 ARG CB . 18016 1 461 . 1 1 39 39 ARG CG C 13 27.5 0.2 . 1 . . . A 39 ARG CG . 18016 1 462 . 1 1 39 39 ARG CD C 13 43.9 0.2 . 1 . . . A 39 ARG CD . 18016 1 463 . 1 1 39 39 ARG N N 15 118.0 0.2 . 1 . . . A 39 ARG N . 18016 1 464 . 1 1 40 40 ARG H H 1 7.52 0.02 . 1 . . . A 40 ARG H . 18016 1 465 . 1 1 40 40 ARG HB2 H 1 2.00 0.02 . 2 . . . A 40 ARG HB2 . 18016 1 466 . 1 1 40 40 ARG HB3 H 1 1.73 0.02 . 2 . . . A 40 ARG HB3 . 18016 1 467 . 1 1 40 40 ARG HG2 H 1 1.79 0.02 . 2 . . . A 40 ARG HG2 . 18016 1 468 . 1 1 40 40 ARG HG3 H 1 1.79 0.02 . 2 . . . A 40 ARG HG3 . 18016 1 469 . 1 1 40 40 ARG HD2 H 1 3.41 0.02 . 2 . . . A 40 ARG HD2 . 18016 1 470 . 1 1 40 40 ARG HD3 H 1 3.34 0.02 . 2 . . . A 40 ARG HD3 . 18016 1 471 . 1 1 40 40 ARG HE H 1 7.57 0.02 . 1 . . . A 40 ARG HE . 18016 1 472 . 1 1 40 40 ARG C C 13 174.8 0.2 . 1 . . . A 40 ARG C . 18016 1 473 . 1 1 40 40 ARG CA C 13 55.3 0.2 . 1 . . . A 40 ARG CA . 18016 1 474 . 1 1 40 40 ARG CB C 13 34.6 0.2 . 1 . . . A 40 ARG CB . 18016 1 475 . 1 1 40 40 ARG CG C 13 26.8 0.2 . 1 . . . A 40 ARG CG . 18016 1 476 . 1 1 40 40 ARG CD C 13 42.7 0.2 . 1 . . . A 40 ARG CD . 18016 1 477 . 1 1 40 40 ARG N N 15 114.4 0.2 . 1 . . . A 40 ARG N . 18016 1 478 . 1 1 40 40 ARG NE N 15 84.8 0.2 . 1 . . . A 40 ARG NE . 18016 1 479 . 1 1 41 41 LEU H H 1 8.38 0.02 . 1 . . . A 41 LEU H . 18016 1 480 . 1 1 41 41 LEU HB2 H 1 1.72 0.02 . 2 . . . A 41 LEU HB2 . 18016 1 481 . 1 1 41 41 LEU HB3 H 1 1.60 0.02 . 2 . . . A 41 LEU HB3 . 18016 1 482 . 1 1 41 41 LEU HG H 1 1.78 0.02 . 1 . . . A 41 LEU HG . 18016 1 483 . 1 1 41 41 LEU HD11 H 1 0.93 0.02 . 2 . . . A 41 LEU HD11 . 18016 1 484 . 1 1 41 41 LEU HD12 H 1 0.93 0.02 . 2 . . . A 41 LEU HD12 . 18016 1 485 . 1 1 41 41 LEU HD13 H 1 0.93 0.02 . 2 . . . A 41 LEU HD13 . 18016 1 486 . 1 1 41 41 LEU HD21 H 1 0.82 0.02 . 2 . . . A 41 LEU HD21 . 18016 1 487 . 1 1 41 41 LEU HD22 H 1 0.82 0.02 . 2 . . . A 41 LEU HD22 . 18016 1 488 . 1 1 41 41 LEU HD23 H 1 0.82 0.02 . 2 . . . A 41 LEU HD23 . 18016 1 489 . 1 1 41 41 LEU C C 13 177.1 0.2 . 1 . . . A 41 LEU C . 18016 1 490 . 1 1 41 41 LEU CA C 13 53.7 0.2 . 1 . . . A 41 LEU CA . 18016 1 491 . 1 1 41 41 LEU CB C 13 44.4 0.2 . 1 . . . A 41 LEU CB . 18016 1 492 . 1 1 41 41 LEU CG C 13 27.3 0.2 . 1 . . . A 41 LEU CG . 18016 1 493 . 1 1 41 41 LEU CD1 C 13 23.9 0.2 . 2 . . . A 41 LEU CD1 . 18016 1 494 . 1 1 41 41 LEU CD2 C 13 27.4 0.2 . 2 . . . A 41 LEU CD2 . 18016 1 495 . 1 1 41 41 LEU N N 15 119.4 0.2 . 1 . . . A 41 LEU N . 18016 1 496 . 1 1 42 42 THR H H 1 9.33 0.02 . 1 . . . A 42 THR H . 18016 1 497 . 1 1 42 42 THR HA H 1 4.44 0.02 . 1 . . . A 42 THR HA . 18016 1 498 . 1 1 42 42 THR HB H 1 4.75 0.02 . 1 . . . A 42 THR HB . 18016 1 499 . 1 1 42 42 THR HG21 H 1 1.31 0.02 . 1 . . . A 42 THR HG21 . 18016 1 500 . 1 1 42 42 THR HG22 H 1 1.31 0.02 . 1 . . . A 42 THR HG22 . 18016 1 501 . 1 1 42 42 THR HG23 H 1 1.31 0.02 . 1 . . . A 42 THR HG23 . 18016 1 502 . 1 1 42 42 THR C C 13 175.8 0.2 . 1 . . . A 42 THR C . 18016 1 503 . 1 1 42 42 THR CA C 13 60.5 0.2 . 1 . . . A 42 THR CA . 18016 1 504 . 1 1 42 42 THR CB C 13 70.8 0.2 . 1 . . . A 42 THR CB . 18016 1 505 . 1 1 42 42 THR CG2 C 13 21.7 0.2 . 1 . . . A 42 THR CG2 . 18016 1 506 . 1 1 42 42 THR N N 15 112.0 0.2 . 1 . . . A 42 THR N . 18016 1 507 . 1 1 43 43 ASN H H 1 9.14 0.02 . 1 . . . A 43 ASN H . 18016 1 508 . 1 1 43 43 ASN HA H 1 4.25 0.02 . 1 . . . A 43 ASN HA . 18016 1 509 . 1 1 43 43 ASN HB2 H 1 2.87 0.02 . 2 . . . A 43 ASN HB2 . 18016 1 510 . 1 1 43 43 ASN HB3 H 1 2.66 0.02 . 2 . . . A 43 ASN HB3 . 18016 1 511 . 1 1 43 43 ASN HD21 H 1 7.58 0.02 . 2 . . . A 43 ASN HD21 . 18016 1 512 . 1 1 43 43 ASN HD22 H 1 6.69 0.02 . 2 . . . A 43 ASN HD22 . 18016 1 513 . 1 1 43 43 ASN C C 13 177.9 0.2 . 1 . . . A 43 ASN C . 18016 1 514 . 1 1 43 43 ASN CA C 13 56.7 0.2 . 1 . . . A 43 ASN CA . 18016 1 515 . 1 1 43 43 ASN CB C 13 37.2 0.2 . 1 . . . A 43 ASN CB . 18016 1 516 . 1 1 43 43 ASN N N 15 119.9 0.2 . 1 . . . A 43 ASN N . 18016 1 517 . 1 1 43 43 ASN ND2 N 15 109.2 0.2 . 1 . . . A 43 ASN ND2 . 18016 1 518 . 1 1 44 44 ASP H H 1 8.36 0.02 . 1 . . . A 44 ASP H . 18016 1 519 . 1 1 44 44 ASP HA H 1 4.40 0.02 . 1 . . . A 44 ASP HA . 18016 1 520 . 1 1 44 44 ASP HB2 H 1 2.62 0.02 . 2 . . . A 44 ASP HB2 . 18016 1 521 . 1 1 44 44 ASP HB3 H 1 2.52 0.02 . 2 . . . A 44 ASP HB3 . 18016 1 522 . 1 1 44 44 ASP C C 13 179.6 0.2 . 1 . . . A 44 ASP C . 18016 1 523 . 1 1 44 44 ASP CB C 13 40.3 0.2 . 1 . . . A 44 ASP CB . 18016 1 524 . 1 1 44 44 ASP N N 15 118.0 0.2 . 1 . . . A 44 ASP N . 18016 1 525 . 1 1 45 45 GLU H H 1 7.85 0.02 . 1 . . . A 45 GLU H . 18016 1 526 . 1 1 45 45 GLU HA H 1 3.97 0.02 . 1 . . . A 45 GLU HA . 18016 1 527 . 1 1 45 45 GLU HB2 H 1 2.63 0.02 . 2 . . . A 45 GLU HB2 . 18016 1 528 . 1 1 45 45 GLU HB3 H 1 2.64 0.02 . 2 . . . A 45 GLU HB3 . 18016 1 529 . 1 1 45 45 GLU HG2 H 1 2.57 0.02 . 2 . . . A 45 GLU HG2 . 18016 1 530 . 1 1 45 45 GLU HG3 H 1 2.31 0.02 . 2 . . . A 45 GLU HG3 . 18016 1 531 . 1 1 45 45 GLU CA C 13 59.4 0.2 . 1 . . . A 45 GLU CA . 18016 1 532 . 1 1 45 45 GLU CB C 13 30.3 0.2 . 1 . . . A 45 GLU CB . 18016 1 533 . 1 1 45 45 GLU CG C 13 38.1 0.2 . 1 . . . A 45 GLU CG . 18016 1 534 . 1 1 45 45 GLU N N 15 122.6 0.2 . 1 . . . A 45 GLU N . 18016 1 535 . 1 1 46 46 ILE H H 1 8.29 0.02 . 1 . . . A 46 ILE H . 18016 1 536 . 1 1 46 46 ILE HA H 1 3.43 0.02 . 1 . . . A 46 ILE HA . 18016 1 537 . 1 1 46 46 ILE HB H 1 1.85 0.02 . 1 . . . A 46 ILE HB . 18016 1 538 . 1 1 46 46 ILE HG12 H 1 1.95 0.02 . 2 . . . A 46 ILE HG12 . 18016 1 539 . 1 1 46 46 ILE HG13 H 1 0.65 0.02 . 2 . . . A 46 ILE HG13 . 18016 1 540 . 1 1 46 46 ILE HG21 H 1 0.78 0.02 . 1 . . . A 46 ILE HG21 . 18016 1 541 . 1 1 46 46 ILE HG22 H 1 0.78 0.02 . 1 . . . A 46 ILE HG22 . 18016 1 542 . 1 1 46 46 ILE HG23 H 1 0.78 0.02 . 1 . . . A 46 ILE HG23 . 18016 1 543 . 1 1 46 46 ILE HD11 H 1 0.71 0.02 . 1 . . . A 46 ILE HD11 . 18016 1 544 . 1 1 46 46 ILE HD12 H 1 0.71 0.02 . 1 . . . A 46 ILE HD12 . 18016 1 545 . 1 1 46 46 ILE HD13 H 1 0.71 0.02 . 1 . . . A 46 ILE HD13 . 18016 1 546 . 1 1 46 46 ILE CA C 13 66.0 0.2 . 1 . . . A 46 ILE CA . 18016 1 547 . 1 1 46 46 ILE CB C 13 37.7 0.2 . 1 . . . A 46 ILE CB . 18016 1 548 . 1 1 46 46 ILE CG1 C 13 30.9 0.2 . 1 . . . A 46 ILE CG1 . 18016 1 549 . 1 1 46 46 ILE CG2 C 13 17.6 0.2 . 1 . . . A 46 ILE CG2 . 18016 1 550 . 1 1 46 46 ILE CD1 C 13 14.6 0.2 . 1 . . . A 46 ILE CD1 . 18016 1 551 . 1 1 46 46 ILE N N 15 118.9 0.2 . 1 . . . A 46 ILE N . 18016 1 552 . 1 1 47 47 LYS H H 1 8.29 0.02 . 1 . . . A 47 LYS H . 18016 1 553 . 1 1 47 47 LYS HA H 1 3.87 0.02 . 1 . . . A 47 LYS HA . 18016 1 554 . 1 1 47 47 LYS HB2 H 1 1.97 0.02 . 2 . . . A 47 LYS HB2 . 18016 1 555 . 1 1 47 47 LYS HB3 H 1 1.87 0.02 . 2 . . . A 47 LYS HB3 . 18016 1 556 . 1 1 47 47 LYS HG2 H 1 1.62 0.02 . 2 . . . A 47 LYS HG2 . 18016 1 557 . 1 1 47 47 LYS HG3 H 1 1.36 0.02 . 2 . . . A 47 LYS HG3 . 18016 1 558 . 1 1 47 47 LYS HD2 H 1 1.70 0.02 . 2 . . . A 47 LYS HD2 . 18016 1 559 . 1 1 47 47 LYS HD3 H 1 1.70 0.02 . 2 . . . A 47 LYS HD3 . 18016 1 560 . 1 1 47 47 LYS HE2 H 1 2.91 0.02 . 2 . . . A 47 LYS HE2 . 18016 1 561 . 1 1 47 47 LYS HE3 H 1 2.91 0.02 . 2 . . . A 47 LYS HE3 . 18016 1 562 . 1 1 47 47 LYS C C 13 178.4 0.2 . 1 . . . A 47 LYS C . 18016 1 563 . 1 1 47 47 LYS CA C 13 60.3 0.2 . 1 . . . A 47 LYS CA . 18016 1 564 . 1 1 47 47 LYS CB C 13 32.6 0.2 . 1 . . . A 47 LYS CB . 18016 1 565 . 1 1 47 47 LYS CG C 13 25.9 0.2 . 1 . . . A 47 LYS CG . 18016 1 566 . 1 1 47 47 LYS CD C 13 29.8 0.2 . 1 . . . A 47 LYS CD . 18016 1 567 . 1 1 47 47 LYS CE C 13 42.1 0.2 . 1 . . . A 47 LYS CE . 18016 1 568 . 1 1 47 47 LYS N N 15 118.9 0.2 . 1 . . . A 47 LYS N . 18016 1 569 . 1 1 48 48 ALA H H 1 7.71 0.02 . 1 . . . A 48 ALA H . 18016 1 570 . 1 1 48 48 ALA HA H 1 4.17 0.02 . 1 . . . A 48 ALA HA . 18016 1 571 . 1 1 48 48 ALA HB1 H 1 1.53 0.02 . 1 . . . A 48 ALA HB1 . 18016 1 572 . 1 1 48 48 ALA HB2 H 1 1.53 0.02 . 1 . . . A 48 ALA HB2 . 18016 1 573 . 1 1 48 48 ALA HB3 H 1 1.53 0.02 . 1 . . . A 48 ALA HB3 . 18016 1 574 . 1 1 48 48 ALA CA C 13 55.1 0.2 . 1 . . . A 48 ALA CA . 18016 1 575 . 1 1 48 48 ALA CB C 13 18.0 0.2 . 1 . . . A 48 ALA CB . 18016 1 576 . 1 1 48 48 ALA N N 15 121.1 0.2 . 1 . . . A 48 ALA N . 18016 1 577 . 1 1 49 49 ILE H H 1 8.13 0.02 . 1 . . . A 49 ILE H . 18016 1 578 . 1 1 49 49 ILE HA H 1 3.65 0.02 . 1 . . . A 49 ILE HA . 18016 1 579 . 1 1 49 49 ILE HB H 1 1.91 0.02 . 1 . . . A 49 ILE HB . 18016 1 580 . 1 1 49 49 ILE HG21 H 1 0.73 0.02 . 1 . . . A 49 ILE HG21 . 18016 1 581 . 1 1 49 49 ILE HG22 H 1 0.73 0.02 . 1 . . . A 49 ILE HG22 . 18016 1 582 . 1 1 49 49 ILE HG23 H 1 0.73 0.02 . 1 . . . A 49 ILE HG23 . 18016 1 583 . 1 1 49 49 ILE HD11 H 1 0.76 0.02 . 1 . . . A 49 ILE HD11 . 18016 1 584 . 1 1 49 49 ILE HD12 H 1 0.76 0.02 . 1 . . . A 49 ILE HD12 . 18016 1 585 . 1 1 49 49 ILE HD13 H 1 0.76 0.02 . 1 . . . A 49 ILE HD13 . 18016 1 586 . 1 1 49 49 ILE C C 13 177.3 0.2 . 1 . . . A 49 ILE C . 18016 1 587 . 1 1 49 49 ILE CA C 13 65.0 0.2 . 1 . . . A 49 ILE CA . 18016 1 588 . 1 1 49 49 ILE CB C 13 38.1 0.2 . 1 . . . A 49 ILE CB . 18016 1 589 . 1 1 49 49 ILE CG1 C 13 29.6 0.2 . 1 . . . A 49 ILE CG1 . 18016 1 590 . 1 1 49 49 ILE CG2 C 13 17.3 0.2 . 1 . . . A 49 ILE CG2 . 18016 1 591 . 1 1 49 49 ILE CD1 C 13 15.3 0.2 . 1 . . . A 49 ILE CD1 . 18016 1 592 . 1 1 49 49 ILE N N 15 119.9 0.2 . 1 . . . A 49 ILE N . 18016 1 593 . 1 1 50 50 ALA H H 1 8.73 0.02 . 1 . . . A 50 ALA H . 18016 1 594 . 1 1 50 50 ALA HA H 1 3.86 0.02 . 1 . . . A 50 ALA HA . 18016 1 595 . 1 1 50 50 ALA HB1 H 1 1.49 0.02 . 1 . . . A 50 ALA HB1 . 18016 1 596 . 1 1 50 50 ALA HB2 H 1 1.49 0.02 . 1 . . . A 50 ALA HB2 . 18016 1 597 . 1 1 50 50 ALA HB3 H 1 1.49 0.02 . 1 . . . A 50 ALA HB3 . 18016 1 598 . 1 1 50 50 ALA C C 13 179.8 0.2 . 1 . . . A 50 ALA C . 18016 1 599 . 1 1 50 50 ALA CA C 13 55.7 0.2 . 1 . . . A 50 ALA CA . 18016 1 600 . 1 1 50 50 ALA CB C 13 17.9 0.2 . 1 . . . A 50 ALA CB . 18016 1 601 . 1 1 50 50 ALA N N 15 122.0 0.2 . 1 . . . A 50 ALA N . 18016 1 602 . 1 1 51 51 GLU H H 1 8.22 0.02 . 1 . . . A 51 GLU H . 18016 1 603 . 1 1 51 51 GLU HA H 1 4.02 0.02 . 1 . . . A 51 GLU HA . 18016 1 604 . 1 1 51 51 GLU HB2 H 1 2.15 0.02 . 2 . . . A 51 GLU HB2 . 18016 1 605 . 1 1 51 51 GLU HB3 H 1 2.05 0.02 . 2 . . . A 51 GLU HB3 . 18016 1 606 . 1 1 51 51 GLU HG2 H 1 2.14 0.02 . 2 . . . A 51 GLU HG2 . 18016 1 607 . 1 1 51 51 GLU HG3 H 1 2.26 0.02 . 2 . . . A 51 GLU HG3 . 18016 1 608 . 1 1 51 51 GLU CA C 13 59.4 0.2 . 1 . . . A 51 GLU CA . 18016 1 609 . 1 1 51 51 GLU CB C 13 29.5 0.2 . 1 . . . A 51 GLU CB . 18016 1 610 . 1 1 51 51 GLU CG C 13 36.9 0.2 . 1 . . . A 51 GLU CG . 18016 1 611 . 1 1 51 51 GLU N N 15 116.9 0.2 . 1 . . . A 51 GLU N . 18016 1 612 . 1 1 52 52 ASP H H 1 7.70 0.02 . 1 . . . A 52 ASP H . 18016 1 613 . 1 1 52 52 ASP HA H 1 4.39 0.02 . 1 . . . A 52 ASP HA . 18016 1 614 . 1 1 52 52 ASP HB2 H 1 2.81 0.02 . 2 . . . A 52 ASP HB2 . 18016 1 615 . 1 1 52 52 ASP HB3 H 1 2.66 0.02 . 2 . . . A 52 ASP HB3 . 18016 1 616 . 1 1 52 52 ASP C C 13 178.9 0.2 . 1 . . . A 52 ASP C . 18016 1 617 . 1 1 52 52 ASP CA C 13 57.5 0.2 . 1 . . . A 52 ASP CA . 18016 1 618 . 1 1 52 52 ASP CB C 13 42.5 0.2 . 1 . . . A 52 ASP CB . 18016 1 619 . 1 1 52 52 ASP N N 15 120.3 0.2 . 1 . . . A 52 ASP N . 18016 1 620 . 1 1 53 53 LEU H H 1 8.29 0.02 . 1 . . . A 53 LEU H . 18016 1 621 . 1 1 53 53 LEU HA H 1 3.73 0.02 . 1 . . . A 53 LEU HA . 18016 1 622 . 1 1 53 53 LEU HB2 H 1 1.54 0.02 . 2 . . . A 53 LEU HB2 . 18016 1 623 . 1 1 53 53 LEU HB3 H 1 0.61 0.02 . 2 . . . A 53 LEU HB3 . 18016 1 624 . 1 1 53 53 LEU HG H 1 0.55 0.02 . 1 . . . A 53 LEU HG . 18016 1 625 . 1 1 53 53 LEU HD11 H 1 0.50 0.02 . 2 . . . A 53 LEU HD11 . 18016 1 626 . 1 1 53 53 LEU HD12 H 1 0.50 0.02 . 2 . . . A 53 LEU HD12 . 18016 1 627 . 1 1 53 53 LEU HD13 H 1 0.50 0.02 . 2 . . . A 53 LEU HD13 . 18016 1 628 . 1 1 53 53 LEU HD21 H 1 0.50 0.02 . 2 . . . A 53 LEU HD21 . 18016 1 629 . 1 1 53 53 LEU HD22 H 1 0.50 0.02 . 2 . . . A 53 LEU HD22 . 18016 1 630 . 1 1 53 53 LEU HD23 H 1 0.50 0.02 . 2 . . . A 53 LEU HD23 . 18016 1 631 . 1 1 53 53 LEU C C 13 179.0 0.2 . 1 . . . A 53 LEU C . 18016 1 632 . 1 1 53 53 LEU CA C 13 57.5 0.2 . 1 . . . A 53 LEU CA . 18016 1 633 . 1 1 53 53 LEU CB C 13 41.1 0.2 . 1 . . . A 53 LEU CB . 18016 1 634 . 1 1 53 53 LEU CG C 13 25.5 0.2 . 1 . . . A 53 LEU CG . 18016 1 635 . 1 1 53 53 LEU CD1 C 13 22.1 0.2 . 2 . . . A 53 LEU CD1 . 18016 1 636 . 1 1 53 53 LEU CD2 C 13 22.1 0.2 . 2 . . . A 53 LEU CD2 . 18016 1 637 . 1 1 53 53 LEU N N 15 118.3 0.2 . 1 . . . A 53 LEU N . 18016 1 638 . 1 1 54 54 GLU H H 1 8.07 0.02 . 1 . . . A 54 GLU H . 18016 1 639 . 1 1 54 54 GLU HA H 1 4.22 0.02 . 1 . . . A 54 GLU HA . 18016 1 640 . 1 1 54 54 GLU HB2 H 1 2.15 0.02 . 2 . . . A 54 GLU HB2 . 18016 1 641 . 1 1 54 54 GLU HB3 H 1 2.15 0.02 . 2 . . . A 54 GLU HB3 . 18016 1 642 . 1 1 54 54 GLU HG2 H 1 2.54 0.02 . 2 . . . A 54 GLU HG2 . 18016 1 643 . 1 1 54 54 GLU HG3 H 1 2.31 0.02 . 2 . . . A 54 GLU HG3 . 18016 1 644 . 1 1 54 54 GLU C C 13 178.2 0.2 . 1 . . . A 54 GLU C . 18016 1 645 . 1 1 54 54 GLU CA C 13 58.7 0.2 . 1 . . . A 54 GLU CA . 18016 1 646 . 1 1 54 54 GLU CB C 13 29.9 0.2 . 1 . . . A 54 GLU CB . 18016 1 647 . 1 1 54 54 GLU CG C 13 36.1 0.2 . 1 . . . A 54 GLU CG . 18016 1 648 . 1 1 54 54 GLU N N 15 118.7 0.2 . 1 . . . A 54 GLU N . 18016 1 649 . 1 1 55 55 LYS H H 1 7.75 0.02 . 1 . . . A 55 LYS H . 18016 1 650 . 1 1 55 55 LYS HA H 1 4.15 0.02 . 1 . . . A 55 LYS HA . 18016 1 651 . 1 1 55 55 LYS HB2 H 1 1.92 0.02 . 2 . . . A 55 LYS HB2 . 18016 1 652 . 1 1 55 55 LYS HB3 H 1 1.92 0.02 . 2 . . . A 55 LYS HB3 . 18016 1 653 . 1 1 55 55 LYS HG2 H 1 1.63 0.02 . 2 . . . A 55 LYS HG2 . 18016 1 654 . 1 1 55 55 LYS HG3 H 1 1.46 0.02 . 2 . . . A 55 LYS HG3 . 18016 1 655 . 1 1 55 55 LYS HD2 H 1 1.70 0.02 . 2 . . . A 55 LYS HD2 . 18016 1 656 . 1 1 55 55 LYS HD3 H 1 1.70 0.02 . 2 . . . A 55 LYS HD3 . 18016 1 657 . 1 1 55 55 LYS HE2 H 1 2.99 0.02 . 2 . . . A 55 LYS HE2 . 18016 1 658 . 1 1 55 55 LYS HE3 H 1 2.99 0.02 . 2 . . . A 55 LYS HE3 . 18016 1 659 . 1 1 55 55 LYS CA C 13 58.3 0.2 . 1 . . . A 55 LYS CA . 18016 1 660 . 1 1 55 55 LYS CB C 13 32.7 0.2 . 1 . . . A 55 LYS CB . 18016 1 661 . 1 1 55 55 LYS CG C 13 25.3 0.2 . 1 . . . A 55 LYS CG . 18016 1 662 . 1 1 55 55 LYS CD C 13 29.1 0.2 . 1 . . . A 55 LYS CD . 18016 1 663 . 1 1 55 55 LYS CE C 13 42.2 0.2 . 1 . . . A 55 LYS CE . 18016 1 664 . 1 1 55 55 LYS N N 15 117.7 0.2 . 1 . . . A 55 LYS N . 18016 1 665 . 1 1 56 56 ARG H H 1 8.27 0.02 . 1 . . . A 56 ARG H . 18016 1 666 . 1 1 56 56 ARG HA H 1 4.27 0.02 . 1 . . . A 56 ARG HA . 18016 1 667 . 1 1 56 56 ARG HB2 H 1 1.78 0.02 . 2 . . . A 56 ARG HB2 . 18016 1 668 . 1 1 56 56 ARG HB3 H 1 1.78 0.02 . 2 . . . A 56 ARG HB3 . 18016 1 669 . 1 1 56 56 ARG HG2 H 1 1.65 0.02 . 2 . . . A 56 ARG HG2 . 18016 1 670 . 1 1 56 56 ARG HG3 H 1 1.55 0.02 . 2 . . . A 56 ARG HG3 . 18016 1 671 . 1 1 56 56 ARG HD2 H 1 3.15 0.02 . 2 . . . A 56 ARG HD2 . 18016 1 672 . 1 1 56 56 ARG HD3 H 1 3.06 0.02 . 2 . . . A 56 ARG HD3 . 18016 1 673 . 1 1 56 56 ARG CA C 13 56.8 0.2 . 1 . . . A 56 ARG CA . 18016 1 674 . 1 1 56 56 ARG CB C 13 31.0 0.2 . 1 . . . A 56 ARG CB . 18016 1 675 . 1 1 56 56 ARG CG C 13 27.7 0.2 . 1 . . . A 56 ARG CG . 18016 1 676 . 1 1 56 56 ARG CD C 13 43.2 0.2 . 1 . . . A 56 ARG CD . 18016 1 677 . 1 1 56 56 ARG N N 15 117.1 0.2 . 1 . . . A 56 ARG N . 18016 1 678 . 1 1 57 57 ALA HA H 1 4.36 0.02 . 1 . . . A 57 ALA HA . 18016 1 679 . 1 1 57 57 ALA HB1 H 1 1.21 0.02 . 1 . . . A 57 ALA HB1 . 18016 1 680 . 1 1 57 57 ALA HB2 H 1 1.21 0.02 . 1 . . . A 57 ALA HB2 . 18016 1 681 . 1 1 57 57 ALA HB3 H 1 1.21 0.02 . 1 . . . A 57 ALA HB3 . 18016 1 682 . 1 1 57 57 ALA CA C 13 52.1 0.2 . 1 . . . A 57 ALA CA . 18016 1 683 . 1 1 57 57 ALA CB C 13 19.2 0.2 . 1 . . . A 57 ALA CB . 18016 1 684 . 1 1 58 58 HIS HA H 1 4.51 0.02 . 1 . . . A 58 HIS HA . 18016 1 685 . 1 1 58 58 HIS HB2 H 1 3.31 0.02 . 2 . . . A 58 HIS HB2 . 18016 1 686 . 1 1 58 58 HIS HB3 H 1 3.31 0.02 . 2 . . . A 58 HIS HB3 . 18016 1 687 . 1 1 58 58 HIS HD2 H 1 7.08 0.02 . 1 . . . A 58 HIS HD2 . 18016 1 688 . 1 1 58 58 HIS CA C 13 56.2 0.2 . 1 . . . A 58 HIS CA . 18016 1 689 . 1 1 58 58 HIS CB C 13 27.3 0.2 . 1 . . . A 58 HIS CB . 18016 1 690 . 1 1 58 58 HIS CD2 C 13 120.1 0.2 . 1 . . . A 58 HIS CD2 . 18016 1 691 . 1 1 59 59 PHE H H 1 7.71 0.02 . 1 . . . A 59 PHE H . 18016 1 692 . 1 1 59 59 PHE HB2 H 1 3.16 0.02 . 2 . . . A 59 PHE HB2 . 18016 1 693 . 1 1 59 59 PHE HB3 H 1 2.74 0.02 . 2 . . . A 59 PHE HB3 . 18016 1 694 . 1 1 59 59 PHE HD1 H 1 7.20 0.02 . 3 . . . A 59 PHE HD1 . 18016 1 695 . 1 1 59 59 PHE HD2 H 1 7.20 0.02 . 3 . . . A 59 PHE HD2 . 18016 1 696 . 1 1 59 59 PHE C C 13 175.5 0.2 . 1 . . . A 59 PHE C . 18016 1 697 . 1 1 59 59 PHE CA C 13 57.2 0.2 . 1 . . . A 59 PHE CA . 18016 1 698 . 1 1 59 59 PHE CB C 13 39.3 0.02 . 1 . . . A 59 PHE CB . 18016 1 699 . 1 1 59 59 PHE CD1 C 13 131.5 0.2 . 3 . . . A 59 PHE CD1 . 18016 1 700 . 1 1 59 59 PHE CD2 C 13 131.5 0.2 . 3 . . . A 59 PHE CD2 . 18016 1 701 . 1 1 59 59 PHE N N 15 120.4 0.2 . 1 . . . A 59 PHE N . 18016 1 702 . 1 1 60 60 ASP H H 1 8.18 0.02 . 1 . . . A 60 ASP H . 18016 1 703 . 1 1 60 60 ASP HA H 1 4.49 0.02 . 1 . . . A 60 ASP HA . 18016 1 704 . 1 1 60 60 ASP HB2 H 1 2.62 0.02 . 2 . . . A 60 ASP HB2 . 18016 1 705 . 1 1 60 60 ASP HB3 H 1 2.46 0.02 . 2 . . . A 60 ASP HB3 . 18016 1 706 . 1 1 60 60 ASP CA C 13 54.3 0.2 . 1 . . . A 60 ASP CA . 18016 1 707 . 1 1 60 60 ASP CB C 13 41.1 0.2 . 1 . . . A 60 ASP CB . 18016 1 708 . 1 1 60 60 ASP N N 15 120.8 0.2 . 1 . . . A 60 ASP N . 18016 1 709 . 1 1 61 61 HIS H H 1 8.55 0.02 . 1 . . . A 61 HIS H . 18016 1 710 . 1 1 61 61 HIS HA H 1 4.39 0.02 . 1 . . . A 61 HIS HA . 18016 1 711 . 1 1 61 61 HIS HB2 H 1 3.15 0.02 . 2 . . . A 61 HIS HB2 . 18016 1 712 . 1 1 61 61 HIS HB3 H 1 3.07 0.02 . 2 . . . A 61 HIS HB3 . 18016 1 713 . 1 1 61 61 HIS HD2 H 1 7.12 0.02 . 1 . . . A 61 HIS HD2 . 18016 1 714 . 1 1 61 61 HIS CA C 13 56.7 0.2 . 1 . . . A 61 HIS CA . 18016 1 715 . 1 1 61 61 HIS CB C 13 28.8 0.2 . 1 . . . A 61 HIS CB . 18016 1 716 . 1 1 61 61 HIS CD2 C 13 120.3 0.2 . 1 . . . A 61 HIS CD2 . 18016 1 717 . 1 1 61 61 HIS N N 15 118.3 0.2 . 1 . . . A 61 HIS N . 18016 1 718 . 1 1 62 62 ILE HA H 1 4.01 0.02 . 1 . . . A 62 ILE HA . 18016 1 719 . 1 1 62 62 ILE HB H 1 1.57 0.02 . 1 . . . A 62 ILE HB . 18016 1 720 . 1 1 62 62 ILE HG12 H 1 1.50 0.02 . 2 . . . A 62 ILE HG12 . 18016 1 721 . 1 1 62 62 ILE HG13 H 1 0.87 0.02 . 2 . . . A 62 ILE HG13 . 18016 1 722 . 1 1 62 62 ILE HG21 H 1 0.67 0.02 . 1 . . . A 62 ILE HG21 . 18016 1 723 . 1 1 62 62 ILE HG22 H 1 0.67 0.02 . 1 . . . A 62 ILE HG22 . 18016 1 724 . 1 1 62 62 ILE HG23 H 1 0.67 0.02 . 1 . . . A 62 ILE HG23 . 18016 1 725 . 1 1 62 62 ILE HD11 H 1 0.69 0.02 . 1 . . . A 62 ILE HD11 . 18016 1 726 . 1 1 62 62 ILE HD12 H 1 0.69 0.02 . 1 . . . A 62 ILE HD12 . 18016 1 727 . 1 1 62 62 ILE HD13 H 1 0.69 0.02 . 1 . . . A 62 ILE HD13 . 18016 1 728 . 1 1 62 62 ILE C C 13 173.8 0.2 . 1 . . . A 62 ILE C . 18016 1 729 . 1 1 62 62 ILE CA C 13 66.5 0.2 . 1 . . . A 62 ILE CA . 18016 1 730 . 1 1 62 62 ILE CB C 13 40.1 0.2 . 1 . . . A 62 ILE CB . 18016 1 731 . 1 1 62 62 ILE CG1 C 13 26.8 0.2 . 1 . . . A 62 ILE CG1 . 18016 1 732 . 1 1 62 62 ILE CG2 C 13 17.6 0.2 . 1 . . . A 62 ILE CG2 . 18016 1 733 . 1 1 62 62 ILE CD1 C 13 12.7 0.2 . 1 . . . A 62 ILE CD1 . 18016 1 734 . 1 1 63 63 ASP H H 1 8.36 0.02 . 1 . . . A 63 ASP H . 18016 1 735 . 1 1 63 63 ASP HA H 1 4.60 0.02 . 1 . . . A 63 ASP HA . 18016 1 736 . 1 1 63 63 ASP HB2 H 1 2.94 0.02 . 2 . . . A 63 ASP HB2 . 18016 1 737 . 1 1 63 63 ASP HB3 H 1 2.40 0.02 . 2 . . . A 63 ASP HB3 . 18016 1 738 . 1 1 63 63 ASP CA C 13 52.8 0.2 . 1 . . . A 63 ASP CA . 18016 1 739 . 1 1 63 63 ASP CB C 13 40.5 0.2 . 1 . . . A 63 ASP CB . 18016 1 740 . 1 1 63 63 ASP N N 15 125.1 0.2 . 1 . . . A 63 ASP N . 18016 1 741 . 1 1 64 64 ILE HA H 1 3.67 0.02 . 1 . . . A 64 ILE HA . 18016 1 742 . 1 1 64 64 ILE HB H 1 1.95 0.02 . 1 . . . A 64 ILE HB . 18016 1 743 . 1 1 64 64 ILE HG12 H 1 1.52 0.02 . 2 . . . A 64 ILE HG12 . 18016 1 744 . 1 1 64 64 ILE HG13 H 1 1.32 0.02 . 2 . . . A 64 ILE HG13 . 18016 1 745 . 1 1 64 64 ILE HG21 H 1 0.84 0.02 . 1 . . . A 64 ILE HG21 . 18016 1 746 . 1 1 64 64 ILE HG22 H 1 0.84 0.02 . 1 . . . A 64 ILE HG22 . 18016 1 747 . 1 1 64 64 ILE HG23 H 1 0.84 0.02 . 1 . . . A 64 ILE HG23 . 18016 1 748 . 1 1 64 64 ILE HD11 H 1 0.66 0.02 . 1 . . . A 64 ILE HD11 . 18016 1 749 . 1 1 64 64 ILE HD12 H 1 0.66 0.02 . 1 . . . A 64 ILE HD12 . 18016 1 750 . 1 1 64 64 ILE HD13 H 1 0.66 0.02 . 1 . . . A 64 ILE HD13 . 18016 1 751 . 1 1 64 64 ILE C C 13 177.0 0.2 . 1 . . . A 64 ILE C . 18016 1 752 . 1 1 64 64 ILE CA C 13 62.1 0.2 . 1 . . . A 64 ILE CA . 18016 1 753 . 1 1 64 64 ILE CB C 13 36.6 0.2 . 1 . . . A 64 ILE CB . 18016 1 754 . 1 1 64 64 ILE CG1 C 13 27.5 0.2 . 1 . . . A 64 ILE CG1 . 18016 1 755 . 1 1 64 64 ILE CG2 C 13 17.9 0.2 . 1 . . . A 64 ILE CG2 . 18016 1 756 . 1 1 64 64 ILE CD1 C 13 10.8 0.2 . 1 . . . A 64 ILE CD1 . 18016 1 757 . 1 1 65 65 GLY H H 1 8.44 0.02 . 1 . . . A 65 GLY H . 18016 1 758 . 1 1 65 65 GLY HA2 H 1 3.95 0.02 . 2 . . . A 65 GLY HA2 . 18016 1 759 . 1 1 65 65 GLY HA3 H 1 3.72 0.02 . 2 . . . A 65 GLY HA3 . 18016 1 760 . 1 1 65 65 GLY C C 13 177.0 0.2 . 1 . . . A 65 GLY C . 18016 1 761 . 1 1 65 65 GLY CA C 13 47.3 0.2 . 1 . . . A 65 GLY CA . 18016 1 762 . 1 1 65 65 GLY N N 15 107.6 0.2 . 1 . . . A 65 GLY N . 18016 1 763 . 1 1 66 66 VAL H H 1 7.55 0.02 . 1 . . . A 66 VAL H . 18016 1 764 . 1 1 66 66 VAL HA H 1 3.76 0.02 . 1 . . . A 66 VAL HA . 18016 1 765 . 1 1 66 66 VAL HB H 1 2.01 0.02 . 1 . . . A 66 VAL HB . 18016 1 766 . 1 1 66 66 VAL HG11 H 1 0.99 0.02 . 2 . . . A 66 VAL HG11 . 18016 1 767 . 1 1 66 66 VAL HG12 H 1 0.99 0.02 . 2 . . . A 66 VAL HG12 . 18016 1 768 . 1 1 66 66 VAL HG13 H 1 0.99 0.02 . 2 . . . A 66 VAL HG13 . 18016 1 769 . 1 1 66 66 VAL HG21 H 1 0.99 0.02 . 2 . . . A 66 VAL HG21 . 18016 1 770 . 1 1 66 66 VAL HG22 H 1 0.99 0.02 . 2 . . . A 66 VAL HG22 . 18016 1 771 . 1 1 66 66 VAL HG23 H 1 0.99 0.02 . 2 . . . A 66 VAL HG23 . 18016 1 772 . 1 1 66 66 VAL C C 13 178.5 0.2 . 1 . . . A 66 VAL C . 18016 1 773 . 1 1 66 66 VAL CA C 13 65.6 0.2 . 1 . . . A 66 VAL CA . 18016 1 774 . 1 1 66 66 VAL CB C 13 32.0 0.2 . 1 . . . A 66 VAL CB . 18016 1 775 . 1 1 66 66 VAL CG1 C 13 22.6 0.2 . 2 . . . A 66 VAL CG1 . 18016 1 776 . 1 1 66 66 VAL CG2 C 13 22.6 0.2 . 2 . . . A 66 VAL CG2 . 18016 1 777 . 1 1 66 66 VAL N N 15 121.8 0.2 . 1 . . . A 66 VAL N . 18016 1 778 . 1 1 67 67 LEU H H 1 7.65 0.02 . 1 . . . A 67 LEU H . 18016 1 779 . 1 1 67 67 LEU HA H 1 4.07 0.02 . 1 . . . A 67 LEU HA . 18016 1 780 . 1 1 67 67 LEU HB2 H 1 1.78 0.02 . 2 . . . A 67 LEU HB2 . 18016 1 781 . 1 1 67 67 LEU HB3 H 1 1.39 0.02 . 2 . . . A 67 LEU HB3 . 18016 1 782 . 1 1 67 67 LEU HG H 1 0.77 0.02 . 1 . . . A 67 LEU HG . 18016 1 783 . 1 1 67 67 LEU HD11 H 1 0.81 0.02 . 2 . . . A 67 LEU HD11 . 18016 1 784 . 1 1 67 67 LEU HD12 H 1 0.81 0.02 . 2 . . . A 67 LEU HD12 . 18016 1 785 . 1 1 67 67 LEU HD13 H 1 0.81 0.02 . 2 . . . A 67 LEU HD13 . 18016 1 786 . 1 1 67 67 LEU HD21 H 1 0.77 0.02 . 2 . . . A 67 LEU HD21 . 18016 1 787 . 1 1 67 67 LEU HD22 H 1 0.77 0.02 . 2 . . . A 67 LEU HD22 . 18016 1 788 . 1 1 67 67 LEU HD23 H 1 0.77 0.02 . 2 . . . A 67 LEU HD23 . 18016 1 789 . 1 1 67 67 LEU C C 13 179.0 0.2 . 1 . . . A 67 LEU C . 18016 1 790 . 1 1 67 67 LEU CA C 13 57.6 0.2 . 1 . . . A 67 LEU CA . 18016 1 791 . 1 1 67 67 LEU CB C 13 42.3 0.2 . 1 . . . A 67 LEU CB . 18016 1 792 . 1 1 67 67 LEU CG C 13 26.1 0.2 . 1 . . . A 67 LEU CG . 18016 1 793 . 1 1 67 67 LEU CD1 C 13 25.0 0.2 . 2 . . . A 67 LEU CD1 . 18016 1 794 . 1 1 67 67 LEU CD2 C 13 23.6 0.2 . 2 . . . A 67 LEU CD2 . 18016 1 795 . 1 1 67 67 LEU N N 15 120.9 0.2 . 1 . . . A 67 LEU N . 18016 1 796 . 1 1 68 68 ILE H H 1 8.58 0.02 . 1 . . . A 68 ILE H . 18016 1 797 . 1 1 68 68 ILE HA H 1 3.71 0.02 . 1 . . . A 68 ILE HA . 18016 1 798 . 1 1 68 68 ILE HB H 1 1.96 0.02 . 1 . . . A 68 ILE HB . 18016 1 799 . 1 1 68 68 ILE HG12 H 1 1.78 0.02 . 2 . . . A 68 ILE HG12 . 18016 1 800 . 1 1 68 68 ILE HG13 H 1 1.06 0.02 . 2 . . . A 68 ILE HG13 . 18016 1 801 . 1 1 68 68 ILE HG21 H 1 0.88 0.02 . 1 . . . A 68 ILE HG21 . 18016 1 802 . 1 1 68 68 ILE HG22 H 1 0.88 0.02 . 1 . . . A 68 ILE HG22 . 18016 1 803 . 1 1 68 68 ILE HG23 H 1 0.88 0.02 . 1 . . . A 68 ILE HG23 . 18016 1 804 . 1 1 68 68 ILE HD11 H 1 0.76 0.02 . 1 . . . A 68 ILE HD11 . 18016 1 805 . 1 1 68 68 ILE HD12 H 1 0.76 0.02 . 1 . . . A 68 ILE HD12 . 18016 1 806 . 1 1 68 68 ILE HD13 H 1 0.76 0.02 . 1 . . . A 68 ILE HD13 . 18016 1 807 . 1 1 68 68 ILE C C 13 179.5 0.2 . 1 . . . A 68 ILE C . 18016 1 808 . 1 1 68 68 ILE CA C 13 65.2 0.2 . 1 . . . A 68 ILE CA . 18016 1 809 . 1 1 68 68 ILE CB C 13 37.5 0.2 . 1 . . . A 68 ILE CB . 18016 1 810 . 1 1 68 68 ILE CG1 C 13 29.8 0.2 . 1 . . . A 68 ILE CG1 . 18016 1 811 . 1 1 68 68 ILE CG2 C 13 17.1 0.2 . 1 . . . A 68 ILE CG2 . 18016 1 812 . 1 1 68 68 ILE CD1 C 13 13.1 0.2 . 1 . . . A 68 ILE CD1 . 18016 1 813 . 1 1 68 68 ILE N N 15 118.9 0.2 . 1 . . . A 68 ILE N . 18016 1 814 . 1 1 69 69 THR H H 1 7.84 0.02 . 1 . . . A 69 THR H . 18016 1 815 . 1 1 69 69 THR HA H 1 3.94 0.02 . 1 . . . A 69 THR HA . 18016 1 816 . 1 1 69 69 THR HB H 1 4.31 0.02 . 1 . . . A 69 THR HB . 18016 1 817 . 1 1 69 69 THR HG21 H 1 1.24 0.02 . 1 . . . A 69 THR HG21 . 18016 1 818 . 1 1 69 69 THR HG22 H 1 1.24 0.02 . 1 . . . A 69 THR HG22 . 18016 1 819 . 1 1 69 69 THR HG23 H 1 1.24 0.02 . 1 . . . A 69 THR HG23 . 18016 1 820 . 1 1 69 69 THR C C 13 176.2 0.2 . 1 . . . A 69 THR C . 18016 1 821 . 1 1 69 69 THR CA C 13 66.6 0.2 . 1 . . . A 69 THR CA . 18016 1 822 . 1 1 69 69 THR CB C 13 68.5 0.2 . 1 . . . A 69 THR CB . 18016 1 823 . 1 1 69 69 THR CG2 C 13 22.0 0.2 . 1 . . . A 69 THR CG2 . 18016 1 824 . 1 1 69 69 THR N N 15 118.1 0.2 . 1 . . . A 69 THR N . 18016 1 825 . 1 1 70 70 GLN H H 1 8.10 0.02 . 1 . . . A 70 GLN H . 18016 1 826 . 1 1 70 70 GLN HA H 1 4.11 0.02 . 1 . . . A 70 GLN HA . 18016 1 827 . 1 1 70 70 GLN HB2 H 1 2.22 0.02 . 2 . . . A 70 GLN HB2 . 18016 1 828 . 1 1 70 70 GLN HB3 H 1 2.11 0.02 . 2 . . . A 70 GLN HB3 . 18016 1 829 . 1 1 70 70 GLN HG2 H 1 2.54 0.02 . 2 . . . A 70 GLN HG2 . 18016 1 830 . 1 1 70 70 GLN HG3 H 1 2.35 0.02 . 2 . . . A 70 GLN HG3 . 18016 1 831 . 1 1 70 70 GLN HE21 H 1 7.41 0.02 . 2 . . . A 70 GLN HE21 . 18016 1 832 . 1 1 70 70 GLN HE22 H 1 6.59 0.02 . 2 . . . A 70 GLN HE22 . 18016 1 833 . 1 1 70 70 GLN C C 13 178.1 0.2 . 1 . . . A 70 GLN C . 18016 1 834 . 1 1 70 70 GLN CA C 13 59.1 0.2 . 1 . . . A 70 GLN CA . 18016 1 835 . 1 1 70 70 GLN CB C 13 28.3 0.2 . 1 . . . A 70 GLN CB . 18016 1 836 . 1 1 70 70 GLN CG C 13 34.0 0.2 . 1 . . . A 70 GLN CG . 18016 1 837 . 1 1 70 70 GLN N N 15 121.6 0.2 . 1 . . . A 70 GLN N . 18016 1 838 . 1 1 70 70 GLN NE2 N 15 110.0 0.2 . 1 . . . A 70 GLN NE2 . 18016 1 839 . 1 1 71 71 MET H H 1 8.35 0.02 . 1 . . . A 71 MET H . 18016 1 840 . 1 1 71 71 MET HA H 1 4.01 0.02 . 1 . . . A 71 MET HA . 18016 1 841 . 1 1 71 71 MET HB2 H 1 2.37 0.02 . 2 . . . A 71 MET HB2 . 18016 1 842 . 1 1 71 71 MET HB3 H 1 2.10 0.02 . 2 . . . A 71 MET HB3 . 18016 1 843 . 1 1 71 71 MET HG2 H 1 2.61 0.02 . 2 . . . A 71 MET HG2 . 18016 1 844 . 1 1 71 71 MET HG3 H 1 2.45 0.02 . 2 . . . A 71 MET HG3 . 18016 1 845 . 1 1 71 71 MET HE1 H 1 2.06 0.02 . 1 . . . A 71 MET HE1 . 18016 1 846 . 1 1 71 71 MET HE2 H 1 2.06 0.02 . 1 . . . A 71 MET HE2 . 18016 1 847 . 1 1 71 71 MET HE3 H 1 2.06 0.02 . 1 . . . A 71 MET HE3 . 18016 1 848 . 1 1 71 71 MET C C 13 176.3 0.2 . 1 . . . A 71 MET C . 18016 1 849 . 1 1 71 71 MET CA C 13 58.1 0.2 . 1 . . . A 71 MET CA . 18016 1 850 . 1 1 71 71 MET CB C 13 33.6 0.2 . 1 . . . A 71 MET CB . 18016 1 851 . 1 1 71 71 MET CG C 13 31.7 0.2 . 1 . . . A 71 MET CG . 18016 1 852 . 1 1 71 71 MET CE C 13 17.0 0.2 . 1 . . . A 71 MET CE . 18016 1 853 . 1 1 71 71 MET N N 15 118.7 0.2 . 1 . . . A 71 MET N . 18016 1 854 . 1 1 72 72 THR H H 1 7.84 0.02 . 1 . . . A 72 THR H . 18016 1 855 . 1 1 72 72 THR HA H 1 3.94 0.02 . 1 . . . A 72 THR HA . 18016 1 856 . 1 1 72 72 THR HB H 1 4.34 0.02 . 1 . . . A 72 THR HB . 18016 1 857 . 1 1 72 72 THR HG21 H 1 1.26 0.02 . 1 . . . A 72 THR HG21 . 18016 1 858 . 1 1 72 72 THR HG22 H 1 1.26 0.02 . 1 . . . A 72 THR HG22 . 18016 1 859 . 1 1 72 72 THR HG23 H 1 1.26 0.02 . 1 . . . A 72 THR HG23 . 18016 1 860 . 1 1 72 72 THR C C 13 175.8 0.2 . 1 . . . A 72 THR C . 18016 1 861 . 1 1 72 72 THR CA C 13 65.3 0.2 . 1 . . . A 72 THR CA . 18016 1 862 . 1 1 72 72 THR CB C 13 69.1 0.2 . 1 . . . A 72 THR CB . 18016 1 863 . 1 1 72 72 THR CG2 C 13 21.4 0.2 . 1 . . . A 72 THR CG2 . 18016 1 864 . 1 1 72 72 THR N N 15 111.6 0.2 . 1 . . . A 72 THR N . 18016 1 865 . 1 1 73 73 ASP H H 1 7.84 0.02 . 1 . . . A 73 ASP H . 18016 1 866 . 1 1 73 73 ASP HA H 1 4.53 0.02 . 1 . . . A 73 ASP HA . 18016 1 867 . 1 1 73 73 ASP HB2 H 1 2.69 0.02 . 2 . . . A 73 ASP HB2 . 18016 1 868 . 1 1 73 73 ASP HB3 H 1 2.69 0.02 . 2 . . . A 73 ASP HB3 . 18016 1 869 . 1 1 73 73 ASP C C 13 176.6 0.2 . 1 . . . A 73 ASP C . 18016 1 870 . 1 1 73 73 ASP CA C 13 56.2 0.2 . 1 . . . A 73 ASP CA . 18016 1 871 . 1 1 73 73 ASP CB C 13 41.4 0.2 . 1 . . . A 73 ASP CB . 18016 1 872 . 1 1 73 73 ASP N N 15 121.1 0.2 . 1 . . . A 73 ASP N . 18016 1 873 . 1 1 74 74 GLU H H 1 7.98 0.02 . 1 . . . A 74 GLU H . 18016 1 874 . 1 1 74 74 GLU HA H 1 4.34 0.02 . 1 . . . A 74 GLU HA . 18016 1 875 . 1 1 74 74 GLU HG2 H 1 2.14 0.02 . 2 . . . A 74 GLU HG2 . 18016 1 876 . 1 1 74 74 GLU HG3 H 1 2.09 0.02 . 2 . . . A 74 GLU HG3 . 18016 1 877 . 1 1 74 74 GLU C C 13 173.8 0.2 . 1 . . . A 74 GLU C . 18016 1 878 . 1 1 74 74 GLU CA C 13 55.5 0.2 . 1 . . . A 74 GLU CA . 18016 1 879 . 1 1 74 74 GLU CB C 13 30.6 0.2 . 1 . . . A 74 GLU CB . 18016 1 880 . 1 1 74 74 GLU CG C 13 36.1 0.2 . 1 . . . A 74 GLU CG . 18016 1 881 . 1 1 74 74 GLU N N 15 121.1 0.2 . 1 . . . A 74 GLU N . 18016 1 882 . 1 1 75 75 MET H H 1 8.38 0.02 . 1 . . . A 75 MET H . 18016 1 883 . 1 1 75 75 MET HA H 1 4.71 0.02 . 1 . . . A 75 MET HA . 18016 1 884 . 1 1 75 75 MET HB2 H 1 2.06 0.02 . 2 . . . A 75 MET HB2 . 18016 1 885 . 1 1 75 75 MET HB3 H 1 1.99 0.02 . 2 . . . A 75 MET HB3 . 18016 1 886 . 1 1 75 75 MET HG2 H 1 2.75 0.02 . 2 . . . A 75 MET HG2 . 18016 1 887 . 1 1 75 75 MET HG3 H 1 2.71 0.02 . 2 . . . A 75 MET HG3 . 18016 1 888 . 1 1 75 75 MET HE1 H 1 2.13 0.02 . 1 . . . A 75 MET HE1 . 18016 1 889 . 1 1 75 75 MET HE2 H 1 2.13 0.02 . 1 . . . A 75 MET HE2 . 18016 1 890 . 1 1 75 75 MET HE3 H 1 2.13 0.02 . 1 . . . A 75 MET HE3 . 18016 1 891 . 1 1 75 75 MET CA C 13 53.8 0.2 . 1 . . . A 75 MET CA . 18016 1 892 . 1 1 75 75 MET CB C 13 31.7 0.2 . 1 . . . A 75 MET CB . 18016 1 893 . 1 1 75 75 MET CG C 13 32.0 0.2 . 1 . . . A 75 MET CG . 18016 1 894 . 1 1 75 75 MET CE C 13 16.7 0.2 . 1 . . . A 75 MET CE . 18016 1 895 . 1 1 75 75 MET N N 15 125.8 0.2 . 1 . . . A 75 MET N . 18016 1 896 . 1 1 76 76 PRO HA H 1 4.51 0.02 . 1 . . . A 76 PRO HA . 18016 1 897 . 1 1 76 76 PRO HB2 H 1 2.31 0.02 . 2 . . . A 76 PRO HB2 . 18016 1 898 . 1 1 76 76 PRO HB3 H 1 1.82 0.02 . 2 . . . A 76 PRO HB3 . 18016 1 899 . 1 1 76 76 PRO HG2 H 1 1.91 0.02 . 2 . . . A 76 PRO HG2 . 18016 1 900 . 1 1 76 76 PRO HG3 H 1 1.82 0.02 . 2 . . . A 76 PRO HG3 . 18016 1 901 . 1 1 76 76 PRO HD2 H 1 3.97 0.02 . 2 . . . A 76 PRO HD2 . 18016 1 902 . 1 1 76 76 PRO HD3 H 1 3.66 0.02 . 2 . . . A 76 PRO HD3 . 18016 1 903 . 1 1 76 76 PRO C C 13 175.7 0.2 . 1 . . . A 76 PRO C . 18016 1 904 . 1 1 76 76 PRO CA C 13 62.0 0.2 . 1 . . . A 76 PRO CA . 18016 1 905 . 1 1 76 76 PRO CB C 13 31.8 0.2 . 1 . . . A 76 PRO CB . 18016 1 906 . 1 1 76 76 PRO CG C 13 27.5 0.2 . 1 . . . A 76 PRO CG . 18016 1 907 . 1 1 76 76 PRO CD C 13 50.2 0.2 . 1 . . . A 76 PRO CD . 18016 1 908 . 1 1 77 77 ARG H H 1 8.94 0.02 . 1 . . . A 77 ARG H . 18016 1 909 . 1 1 77 77 ARG HA H 1 4.27 0.02 . 1 . . . A 77 ARG HA . 18016 1 910 . 1 1 77 77 ARG HB2 H 1 2.18 0.02 . 2 . . . A 77 ARG HB2 . 18016 1 911 . 1 1 77 77 ARG HB3 H 1 1.88 0.02 . 2 . . . A 77 ARG HB3 . 18016 1 912 . 1 1 77 77 ARG HD2 H 1 3.30 0.02 . 2 . . . A 77 ARG HD2 . 18016 1 913 . 1 1 77 77 ARG HD3 H 1 3.30 0.02 . 2 . . . A 77 ARG HD3 . 18016 1 914 . 1 1 77 77 ARG CA C 13 55.8 0.2 . 1 . . . A 77 ARG CA . 18016 1 915 . 1 1 77 77 ARG CB C 13 30.7 0.2 . 1 . . . A 77 ARG CB . 18016 1 916 . 1 1 77 77 ARG CG C 13 27.7 0.2 . 1 . . . A 77 ARG CG . 18016 1 917 . 1 1 77 77 ARG CD C 13 43.4 0.2 . 1 . . . A 77 ARG CD . 18016 1 918 . 1 1 77 77 ARG N N 15 119.7 0.2 . 1 . . . A 77 ARG N . 18016 1 919 . 1 1 78 78 GLU H H 1 9.17 0.02 . 1 . . . A 78 GLU H . 18016 1 920 . 1 1 78 78 GLU HA H 1 3.96 0.02 . 1 . . . A 78 GLU HA . 18016 1 921 . 1 1 78 78 GLU HB2 H 1 2.10 0.02 . 2 . . . A 78 GLU HB2 . 18016 1 922 . 1 1 78 78 GLU HB3 H 1 2.10 0.02 . 2 . . . A 78 GLU HB3 . 18016 1 923 . 1 1 78 78 GLU HG2 H 1 2.37 0.02 . 2 . . . A 78 GLU HG2 . 18016 1 924 . 1 1 78 78 GLU HG3 H 1 2.37 0.02 . 2 . . . A 78 GLU HG3 . 18016 1 925 . 1 1 78 78 GLU C C 13 179.0 0.2 . 1 . . . A 78 GLU C . 18016 1 926 . 1 1 78 78 GLU CA C 13 59.8 0.2 . 1 . . . A 78 GLU CA . 18016 1 927 . 1 1 78 78 GLU CB C 13 29.0 0.2 . 1 . . . A 78 GLU CB . 18016 1 928 . 1 1 78 78 GLU CG C 13 35.9 0.2 . 1 . . . A 78 GLU CG . 18016 1 929 . 1 1 78 78 GLU N N 15 124.7 0.2 . 1 . . . A 78 GLU N . 18016 1 930 . 1 1 79 79 GLU H H 1 9.66 0.02 . 1 . . . A 79 GLU H . 18016 1 931 . 1 1 79 79 GLU HA H 1 4.12 0.02 . 1 . . . A 79 GLU HA . 18016 1 932 . 1 1 79 79 GLU HB2 H 1 1.99 0.02 . 2 . . . A 79 GLU HB2 . 18016 1 933 . 1 1 79 79 GLU HB3 H 1 1.99 0.02 . 2 . . . A 79 GLU HB3 . 18016 1 934 . 1 1 79 79 GLU HG2 H 1 2.32 0.02 . 2 . . . A 79 GLU HG2 . 18016 1 935 . 1 1 79 79 GLU HG3 H 1 2.32 0.02 . 2 . . . A 79 GLU HG3 . 18016 1 936 . 1 1 79 79 GLU C C 13 179.1 0.2 . 1 . . . A 79 GLU C . 18016 1 937 . 1 1 79 79 GLU CA C 13 59.7 0.2 . 1 . . . A 79 GLU CA . 18016 1 938 . 1 1 79 79 GLU CB C 13 29.0 0.2 . 1 . . . A 79 GLU CB . 18016 1 939 . 1 1 79 79 GLU CG C 13 36.3 0.2 . 1 . . . A 79 GLU CG . 18016 1 940 . 1 1 79 79 GLU N N 15 116.8 0.2 . 1 . . . A 79 GLU N . 18016 1 941 . 1 1 80 80 ASP H H 1 7.31 0.02 . 1 . . . A 80 ASP H . 18016 1 942 . 1 1 80 80 ASP HA H 1 4.69 0.02 . 1 . . . A 80 ASP HA . 18016 1 943 . 1 1 80 80 ASP HB2 H 1 2.83 0.02 . 2 . . . A 80 ASP HB2 . 18016 1 944 . 1 1 80 80 ASP HB3 H 1 2.67 0.02 . 2 . . . A 80 ASP HB3 . 18016 1 945 . 1 1 80 80 ASP C C 13 177.3 0.2 . 1 . . . A 80 ASP C . 18016 1 946 . 1 1 80 80 ASP CA C 13 57.4 0.2 . 1 . . . A 80 ASP CA . 18016 1 947 . 1 1 80 80 ASP CB C 13 41.6 0.2 . 1 . . . A 80 ASP CB . 18016 1 948 . 1 1 80 80 ASP N N 15 120.0 0.2 . 1 . . . A 80 ASP N . 18016 1 949 . 1 1 81 81 ILE H H 1 7.61 0.02 . 1 . . . A 81 ILE H . 18016 1 950 . 1 1 81 81 ILE HA H 1 3.49 0.02 . 1 . . . A 81 ILE HA . 18016 1 951 . 1 1 81 81 ILE HB H 1 1.94 0.02 . 1 . . . A 81 ILE HB . 18016 1 952 . 1 1 81 81 ILE HG12 H 1 1.67 0.02 . 2 . . . A 81 ILE HG12 . 18016 1 953 . 1 1 81 81 ILE HG13 H 1 0.93 0.02 . 2 . . . A 81 ILE HG13 . 18016 1 954 . 1 1 81 81 ILE HG21 H 1 0.97 0.02 . 1 . . . A 81 ILE HG21 . 18016 1 955 . 1 1 81 81 ILE HG22 H 1 0.97 0.02 . 1 . . . A 81 ILE HG22 . 18016 1 956 . 1 1 81 81 ILE HG23 H 1 0.97 0.02 . 1 . . . A 81 ILE HG23 . 18016 1 957 . 1 1 81 81 ILE HD11 H 1 0.80 0.02 . 1 . . . A 81 ILE HD11 . 18016 1 958 . 1 1 81 81 ILE HD12 H 1 0.80 0.02 . 1 . . . A 81 ILE HD12 . 18016 1 959 . 1 1 81 81 ILE HD13 H 1 0.80 0.02 . 1 . . . A 81 ILE HD13 . 18016 1 960 . 1 1 81 81 ILE CA C 13 66.3 0.2 . 1 . . . A 81 ILE CA . 18016 1 961 . 1 1 81 81 ILE CB C 13 38.3 0.2 . 1 . . . A 81 ILE CB . 18016 1 962 . 1 1 81 81 ILE CG1 C 13 29.0 0.2 . 1 . . . A 81 ILE CG1 . 18016 1 963 . 1 1 81 81 ILE CG2 C 13 17.5 0.2 . 1 . . . A 81 ILE CG2 . 18016 1 964 . 1 1 81 81 ILE CD1 C 13 14.1 0.2 . 1 . . . A 81 ILE CD1 . 18016 1 965 . 1 1 81 81 ILE N N 15 120.1 0.2 . 1 . . . A 81 ILE N . 18016 1 966 . 1 1 82 82 GLU H H 1 8.55 0.02 . 1 . . . A 82 GLU H . 18016 1 967 . 1 1 82 82 GLU HA H 1 4.28 0.02 . 1 . . . A 82 GLU HA . 18016 1 968 . 1 1 82 82 GLU HB2 H 1 2.09 0.02 . 2 . . . A 82 GLU HB2 . 18016 1 969 . 1 1 82 82 GLU HB3 H 1 1.91 0.02 . 2 . . . A 82 GLU HB3 . 18016 1 970 . 1 1 82 82 GLU HG2 H 1 2.42 0.02 . 2 . . . A 82 GLU HG2 . 18016 1 971 . 1 1 82 82 GLU HG3 H 1 2.25 0.02 . 2 . . . A 82 GLU HG3 . 18016 1 972 . 1 1 82 82 GLU C C 13 177.8 0.2 . 1 . . . A 82 GLU C . 18016 1 973 . 1 1 82 82 GLU CA C 13 58.0 0.2 . 1 . . . A 82 GLU CA . 18016 1 974 . 1 1 82 82 GLU CB C 13 28.8 0.2 . 1 . . . A 82 GLU CB . 18016 1 975 . 1 1 82 82 GLU CG C 13 35.0 0.2 . 1 . . . A 82 GLU CG . 18016 1 976 . 1 1 82 82 GLU N N 15 118.1 0.2 . 1 . . . A 82 GLU N . 18016 1 977 . 1 1 83 83 ARG H H 1 7.59 0.02 . 1 . . . A 83 ARG H . 18016 1 978 . 1 1 83 83 ARG HA H 1 4.03 0.02 . 1 . . . A 83 ARG HA . 18016 1 979 . 1 1 83 83 ARG HB2 H 1 2.21 0.02 . 2 . . . A 83 ARG HB2 . 18016 1 980 . 1 1 83 83 ARG HB3 H 1 1.98 0.02 . 2 . . . A 83 ARG HB3 . 18016 1 981 . 1 1 83 83 ARG HG2 H 1 1.67 0.02 . 2 . . . A 83 ARG HG2 . 18016 1 982 . 1 1 83 83 ARG HG3 H 1 1.55 0.02 . 2 . . . A 83 ARG HG3 . 18016 1 983 . 1 1 83 83 ARG HD2 H 1 3.44 0.02 . 2 . . . A 83 ARG HD2 . 18016 1 984 . 1 1 83 83 ARG HD3 H 1 3.22 0.02 . 2 . . . A 83 ARG HD3 . 18016 1 985 . 1 1 83 83 ARG HE H 1 7.46 0.02 . 1 . . . A 83 ARG HE . 18016 1 986 . 1 1 83 83 ARG C C 13 179.4 0.2 . 1 . . . A 83 ARG C . 18016 1 987 . 1 1 83 83 ARG CA C 13 59.9 0.2 . 1 . . . A 83 ARG CA . 18016 1 988 . 1 1 83 83 ARG CB C 13 29.6 0.2 . 1 . . . A 83 ARG CB . 18016 1 989 . 1 1 83 83 ARG CG C 13 27.2 0.2 . 1 . . . A 83 ARG CG . 18016 1 990 . 1 1 83 83 ARG CD C 13 42.7 0.2 . 1 . . . A 83 ARG CD . 18016 1 991 . 1 1 83 83 ARG N N 15 119.9 0.2 . 1 . . . A 83 ARG N . 18016 1 992 . 1 1 83 83 ARG NE N 15 81.7 0.2 . 1 . . . A 83 ARG NE . 18016 1 993 . 1 1 84 84 VAL H H 1 7.55 0.02 . 1 . . . A 84 VAL H . 18016 1 994 . 1 1 84 84 VAL HA H 1 3.75 0.02 . 1 . . . A 84 VAL HA . 18016 1 995 . 1 1 84 84 VAL HB H 1 2.14 0.02 . 1 . . . A 84 VAL HB . 18016 1 996 . 1 1 84 84 VAL HG11 H 1 1.13 0.02 . 2 . . . A 84 VAL HG11 . 18016 1 997 . 1 1 84 84 VAL HG12 H 1 1.13 0.02 . 2 . . . A 84 VAL HG12 . 18016 1 998 . 1 1 84 84 VAL HG13 H 1 1.13 0.02 . 2 . . . A 84 VAL HG13 . 18016 1 999 . 1 1 84 84 VAL HG21 H 1 1.10 0.02 . 2 . . . A 84 VAL HG21 . 18016 1 1000 . 1 1 84 84 VAL HG22 H 1 1.10 0.02 . 2 . . . A 84 VAL HG22 . 18016 1 1001 . 1 1 84 84 VAL HG23 H 1 1.10 0.02 . 2 . . . A 84 VAL HG23 . 18016 1 1002 . 1 1 84 84 VAL C C 13 177.4 0.2 . 1 . . . A 84 VAL C . 18016 1 1003 . 1 1 84 84 VAL CA C 13 66.9 0.2 . 1 . . . A 84 VAL CA . 18016 1 1004 . 1 1 84 84 VAL CB C 13 31.9 0.2 . 1 . . . A 84 VAL CB . 18016 1 1005 . 1 1 84 84 VAL CG1 C 13 21.4 0.2 . 2 . . . A 84 VAL CG1 . 18016 1 1006 . 1 1 84 84 VAL CG2 C 13 23.1 0.2 . 2 . . . A 84 VAL CG2 . 18016 1 1007 . 1 1 84 84 VAL N N 15 120.4 0.2 . 1 . . . A 84 VAL N . 18016 1 1008 . 1 1 85 85 ARG H H 1 9.09 0.02 . 1 . . . A 85 ARG H . 18016 1 1009 . 1 1 85 85 ARG HA H 1 4.01 0.02 . 1 . . . A 85 ARG HA . 18016 1 1010 . 1 1 85 85 ARG HB2 H 1 2.04 0.02 . 2 . . . A 85 ARG HB2 . 18016 1 1011 . 1 1 85 85 ARG HB3 H 1 2.04 0.02 . 2 . . . A 85 ARG HB3 . 18016 1 1012 . 1 1 85 85 ARG HG2 H 1 1.62 0.02 . 2 . . . A 85 ARG HG2 . 18016 1 1013 . 1 1 85 85 ARG HG3 H 1 1.42 0.02 . 2 . . . A 85 ARG HG3 . 18016 1 1014 . 1 1 85 85 ARG HD2 H 1 3.00 0.02 . 2 . . . A 85 ARG HD2 . 18016 1 1015 . 1 1 85 85 ARG HD3 H 1 2.90 0.02 . 2 . . . A 85 ARG HD3 . 18016 1 1016 . 1 1 85 85 ARG HE H 1 7.95 0.02 . 1 . . . A 85 ARG HE . 18016 1 1017 . 1 1 85 85 ARG C C 13 178.1 0.2 . 1 . . . A 85 ARG C . 18016 1 1018 . 1 1 85 85 ARG CA C 13 60.9 0.2 . 1 . . . A 85 ARG CA . 18016 1 1019 . 1 1 85 85 ARG CB C 13 30.2 0.2 . 1 . . . A 85 ARG CB . 18016 1 1020 . 1 1 85 85 ARG CG C 13 26.6 0.2 . 1 . . . A 85 ARG CG . 18016 1 1021 . 1 1 85 85 ARG CD C 13 42.4 0.2 . 1 . . . A 85 ARG CD . 18016 1 1022 . 1 1 85 85 ARG N N 15 121.6 0.2 . 1 . . . A 85 ARG N . 18016 1 1023 . 1 1 85 85 ARG NE N 15 82.1 0.2 . 1 . . . A 85 ARG NE . 18016 1 1024 . 1 1 86 86 ARG H H 1 8.66 0.02 . 1 . . . A 86 ARG H . 18016 1 1025 . 1 1 86 86 ARG HA H 1 3.88 0.02 . 1 . . . A 86 ARG HA . 18016 1 1026 . 1 1 86 86 ARG HB2 H 1 1.85 0.02 . 2 . . . A 86 ARG HB2 . 18016 1 1027 . 1 1 86 86 ARG HB3 H 1 1.85 0.02 . 2 . . . A 86 ARG HB3 . 18016 1 1028 . 1 1 86 86 ARG HG2 H 1 1.88 0.02 . 2 . . . A 86 ARG HG2 . 18016 1 1029 . 1 1 86 86 ARG HG3 H 1 1.62 0.02 . 2 . . . A 86 ARG HG3 . 18016 1 1030 . 1 1 86 86 ARG HD2 H 1 3.17 0.02 . 2 . . . A 86 ARG HD2 . 18016 1 1031 . 1 1 86 86 ARG HD3 H 1 3.17 0.02 . 2 . . . A 86 ARG HD3 . 18016 1 1032 . 1 1 86 86 ARG C C 13 179.0 0.2 . 1 . . . A 86 ARG C . 18016 1 1033 . 1 1 86 86 ARG CA C 13 59.4 0.2 . 1 . . . A 86 ARG CA . 18016 1 1034 . 1 1 86 86 ARG CB C 13 30.4 0.2 . 1 . . . A 86 ARG CB . 18016 1 1035 . 1 1 86 86 ARG CG C 13 27.9 0.2 . 1 . . . A 86 ARG CG . 18016 1 1036 . 1 1 86 86 ARG CD C 13 43.7 0.2 . 1 . . . A 86 ARG CD . 18016 1 1037 . 1 1 86 86 ARG N N 15 115.6 0.2 . 1 . . . A 86 ARG N . 18016 1 1038 . 1 1 87 87 HIS H H 1 7.64 0.02 . 1 . . . A 87 HIS H . 18016 1 1039 . 1 1 87 87 HIS HA H 1 4.36 0.02 . 1 . . . A 87 HIS HA . 18016 1 1040 . 1 1 87 87 HIS HB2 H 1 3.37 0.02 . 2 . . . A 87 HIS HB2 . 18016 1 1041 . 1 1 87 87 HIS HB3 H 1 3.18 0.02 . 2 . . . A 87 HIS HB3 . 18016 1 1042 . 1 1 87 87 HIS HD2 H 1 6.14 0.02 . 1 . . . A 87 HIS HD2 . 18016 1 1043 . 1 1 87 87 HIS C C 13 178.4 0.2 . 1 . . . A 87 HIS C . 18016 1 1044 . 1 1 87 87 HIS CA C 13 59.6 0.2 . 1 . . . A 87 HIS CA . 18016 1 1045 . 1 1 87 87 HIS CB C 13 30.7 0.2 . 1 . . . A 87 HIS CB . 18016 1 1046 . 1 1 87 87 HIS CD2 C 13 117.0 0.2 . 1 . . . A 87 HIS CD2 . 18016 1 1047 . 1 1 87 87 HIS N N 15 118.0 0.2 . 1 . . . A 87 HIS N . 18016 1 1048 . 1 1 88 88 LEU H H 1 8.65 0.02 . 1 . . . A 88 LEU H . 18016 1 1049 . 1 1 88 88 LEU HA H 1 3.58 0.02 . 1 . . . A 88 LEU HA . 18016 1 1050 . 1 1 88 88 LEU HB2 H 1 2.14 0.02 . 2 . . . A 88 LEU HB2 . 18016 1 1051 . 1 1 88 88 LEU HB3 H 1 1.42 0.02 . 2 . . . A 88 LEU HB3 . 18016 1 1052 . 1 1 88 88 LEU HG H 1 0.56 0.02 . 1 . . . A 88 LEU HG . 18016 1 1053 . 1 1 88 88 LEU HD11 H 1 0.16 0.02 . 1 . . . A 88 LEU HD11 . 18016 1 1054 . 1 1 88 88 LEU HD12 H 1 0.16 0.02 . 1 . . . A 88 LEU HD12 . 18016 1 1055 . 1 1 88 88 LEU HD13 H 1 0.16 0.02 . 1 . . . A 88 LEU HD13 . 18016 1 1056 . 1 1 88 88 LEU HD21 H 1 0.16 0.02 . 1 . . . A 88 LEU HD21 . 18016 1 1057 . 1 1 88 88 LEU HD22 H 1 0.16 0.02 . 1 . . . A 88 LEU HD22 . 18016 1 1058 . 1 1 88 88 LEU HD23 H 1 0.16 0.02 . 1 . . . A 88 LEU HD23 . 18016 1 1059 . 1 1 88 88 LEU C C 13 180.0 0.2 . 1 . . . A 88 LEU C . 18016 1 1060 . 1 1 88 88 LEU CA C 13 57.2 0.2 . 1 . . . A 88 LEU CA . 18016 1 1061 . 1 1 88 88 LEU CB C 13 42.6 0.2 . 1 . . . A 88 LEU CB . 18016 1 1062 . 1 1 88 88 LEU CG C 13 26.3 0.2 . 1 . . . A 88 LEU CG . 18016 1 1063 . 1 1 88 88 LEU CD1 C 13 22.7 0.2 . 2 . . . A 88 LEU CD1 . 18016 1 1064 . 1 1 88 88 LEU CD2 C 13 22.7 0.2 . 2 . . . A 88 LEU CD2 . 18016 1 1065 . 1 1 88 88 LEU N N 15 119.6 0.2 . 1 . . . A 88 LEU N . 18016 1 1066 . 1 1 89 89 ALA H H 1 8.87 0.02 . 1 . . . A 89 ALA H . 18016 1 1067 . 1 1 89 89 ALA HA H 1 5.36 0.02 . 1 . . . A 89 ALA HA . 18016 1 1068 . 1 1 89 89 ALA HB1 H 1 1.61 0.02 . 1 . . . A 89 ALA HB1 . 18016 1 1069 . 1 1 89 89 ALA HB2 H 1 1.61 0.02 . 1 . . . A 89 ALA HB2 . 18016 1 1070 . 1 1 89 89 ALA HB3 H 1 1.61 0.02 . 1 . . . A 89 ALA HB3 . 18016 1 1071 . 1 1 89 89 ALA C C 13 180.4 0.2 . 1 . . . A 89 ALA C . 18016 1 1072 . 1 1 89 89 ALA CA C 13 53.6 0.2 . 1 . . . A 89 ALA CA . 18016 1 1073 . 1 1 89 89 ALA CB C 13 18.1 0.2 . 1 . . . A 89 ALA CB . 18016 1 1074 . 1 1 89 89 ALA N N 15 118.5 0.2 . 1 . . . A 89 ALA N . 18016 1 1075 . 1 1 90 90 LEU H H 1 7.39 0.02 . 1 . . . A 90 LEU H . 18016 1 1076 . 1 1 90 90 LEU HA H 1 4.21 0.02 . 1 . . . A 90 LEU HA . 18016 1 1077 . 1 1 90 90 LEU HB2 H 1 1.88 0.02 . 2 . . . A 90 LEU HB2 . 18016 1 1078 . 1 1 90 90 LEU HB3 H 1 1.46 0.02 . 2 . . . A 90 LEU HB3 . 18016 1 1079 . 1 1 90 90 LEU HG H 1 0.98 0.02 . 1 . . . A 90 LEU HG . 18016 1 1080 . 1 1 90 90 LEU HD11 H 1 0.92 0.02 . 2 . . . A 90 LEU HD11 . 18016 1 1081 . 1 1 90 90 LEU HD12 H 1 0.92 0.02 . 2 . . . A 90 LEU HD12 . 18016 1 1082 . 1 1 90 90 LEU HD13 H 1 0.92 0.02 . 2 . . . A 90 LEU HD13 . 18016 1 1083 . 1 1 90 90 LEU HD21 H 1 0.92 0.02 . 2 . . . A 90 LEU HD21 . 18016 1 1084 . 1 1 90 90 LEU HD22 H 1 0.92 0.02 . 2 . . . A 90 LEU HD22 . 18016 1 1085 . 1 1 90 90 LEU HD23 H 1 0.92 0.02 . 2 . . . A 90 LEU HD23 . 18016 1 1086 . 1 1 90 90 LEU C C 13 179.1 0.2 . 1 . . . A 90 LEU C . 18016 1 1087 . 1 1 90 90 LEU CA C 13 57.5 0.2 . 1 . . . A 90 LEU CA . 18016 1 1088 . 1 1 90 90 LEU CB C 13 41.7 0.2 . 1 . . . A 90 LEU CB . 18016 1 1089 . 1 1 90 90 LEU CG C 13 25.4 0.2 . 1 . . . A 90 LEU CG . 18016 1 1090 . 1 1 90 90 LEU CD1 C 13 22.5 0.2 . 2 . . . A 90 LEU CD1 . 18016 1 1091 . 1 1 90 90 LEU CD2 C 13 22.5 0.2 . 2 . . . A 90 LEU CD2 . 18016 1 1092 . 1 1 90 90 LEU N N 15 119.4 0.2 . 1 . . . A 90 LEU N . 18016 1 1093 . 1 1 91 91 GLN H H 1 7.81 0.02 . 1 . . . A 91 GLN H . 18016 1 1094 . 1 1 91 91 GLN HA H 1 4.70 0.02 . 1 . . . A 91 GLN HA . 18016 1 1095 . 1 1 91 91 GLN HB2 H 1 2.65 0.02 . 2 . . . A 91 GLN HB2 . 18016 1 1096 . 1 1 91 91 GLN HB3 H 1 2.14 0.02 . 2 . . . A 91 GLN HB3 . 18016 1 1097 . 1 1 91 91 GLN HG2 H 1 2.28 0.02 . 2 . . . A 91 GLN HG2 . 18016 1 1098 . 1 1 91 91 GLN HG3 H 1 2.03 0.02 . 2 . . . A 91 GLN HG3 . 18016 1 1099 . 1 1 91 91 GLN HE21 H 1 7.61 0.02 . 2 . . . A 91 GLN HE21 . 18016 1 1100 . 1 1 91 91 GLN HE22 H 1 6.62 0.02 . 2 . . . A 91 GLN HE22 . 18016 1 1101 . 1 1 91 91 GLN C C 13 175.8 0.2 . 1 . . . A 91 GLN C . 18016 1 1102 . 1 1 91 91 GLN CA C 13 54.5 0.2 . 1 . . . A 91 GLN CA . 18016 1 1103 . 1 1 91 91 GLN CB C 13 28.1 0.2 . 1 . . . A 91 GLN CB . 18016 1 1104 . 1 1 91 91 GLN CG C 13 33.5 0.2 . 1 . . . A 91 GLN CG . 18016 1 1105 . 1 1 91 91 GLN N N 15 114.5 0.2 . 1 . . . A 91 GLN N . 18016 1 1106 . 1 1 91 91 GLN NE2 N 15 111.3 0.2 . 1 . . . A 91 GLN NE2 . 18016 1 1107 . 1 1 92 92 GLY H H 1 7.71 0.02 . 1 . . . A 92 GLY H . 18016 1 1108 . 1 1 92 92 GLY HA2 H 1 4.49 0.02 . 2 . . . A 92 GLY HA2 . 18016 1 1109 . 1 1 92 92 GLY HA3 H 1 3.84 0.02 . 2 . . . A 92 GLY HA3 . 18016 1 1110 . 1 1 92 92 GLY C C 13 172.1 0.2 . 1 . . . A 92 GLY C . 18016 1 1111 . 1 1 92 92 GLY CA C 13 44.0 0.2 . 1 . . . A 92 GLY CA . 18016 1 1112 . 1 1 92 92 GLY N N 15 107.9 0.2 . 1 . . . A 92 GLY N . 18016 1 1113 . 1 1 93 93 TRP H H 1 8.45 0.02 . 1 . . . A 93 TRP H . 18016 1 1114 . 1 1 93 93 TRP HB2 H 1 3.35 0.02 . 2 . . . A 93 TRP HB2 . 18016 1 1115 . 1 1 93 93 TRP HB3 H 1 3.06 0.02 . 2 . . . A 93 TRP HB3 . 18016 1 1116 . 1 1 93 93 TRP HD1 H 1 7.04 0.02 . 1 . . . A 93 TRP HD1 . 18016 1 1117 . 1 1 93 93 TRP HE1 H 1 10.36 0.02 . 1 . . . A 93 TRP HE1 . 18016 1 1118 . 1 1 93 93 TRP HE3 H 1 7.30 0.02 . 1 . . . A 93 TRP HE3 . 18016 1 1119 . 1 1 93 93 TRP HZ2 H 1 7.64 0.02 . 1 . . . A 93 TRP HZ2 . 18016 1 1120 . 1 1 93 93 TRP HZ3 H 1 7.63 0.02 . 1 . . . A 93 TRP HZ3 . 18016 1 1121 . 1 1 93 93 TRP HH2 H 1 7.30 0.02 . 1 . . . A 93 TRP HH2 . 18016 1 1122 . 1 1 93 93 TRP CA C 13 56.0 0.2 . 1 . . . A 93 TRP CA . 18016 1 1123 . 1 1 93 93 TRP CB C 13 29.2 0.2 . 1 . . . A 93 TRP CB . 18016 1 1124 . 1 1 93 93 TRP CD1 C 13 127.9 0.2 . 1 . . . A 93 TRP CD1 . 18016 1 1125 . 1 1 93 93 TRP CE3 C 13 124.2 0.2 . 1 . . . A 93 TRP CE3 . 18016 1 1126 . 1 1 93 93 TRP CZ2 C 13 115.7 0.2 . 1 . . . A 93 TRP CZ2 . 18016 1 1127 . 1 1 93 93 TRP CZ3 C 13 122.1 0.2 . 1 . . . A 93 TRP CZ3 . 18016 1 1128 . 1 1 93 93 TRP CH2 C 13 124.2 0.2 . 1 . . . A 93 TRP CH2 . 18016 1 1129 . 1 1 93 93 TRP N N 15 114.2 0.2 . 1 . . . A 93 TRP N . 18016 1 1130 . 1 1 93 93 TRP NE1 N 15 130.3 0.2 . 1 . . . A 93 TRP NE1 . 18016 1 1131 . 1 1 94 94 PRO HA H 1 4.46 0.02 . 1 . . . A 94 PRO HA . 18016 1 1132 . 1 1 94 94 PRO HB2 H 1 1.71 0.02 . 2 . . . A 94 PRO HB2 . 18016 1 1133 . 1 1 94 94 PRO HB3 H 1 1.38 0.02 . 2 . . . A 94 PRO HB3 . 18016 1 1134 . 1 1 94 94 PRO HG2 H 1 0.99 0.02 . 2 . . . A 94 PRO HG2 . 18016 1 1135 . 1 1 94 94 PRO HG3 H 1 0.16 0.02 . 2 . . . A 94 PRO HG3 . 18016 1 1136 . 1 1 94 94 PRO HD2 H 1 2.19 0.02 . 2 . . . A 94 PRO HD2 . 18016 1 1137 . 1 1 94 94 PRO HD3 H 1 0.70 0.02 . 2 . . . A 94 PRO HD3 . 18016 1 1138 . 1 1 94 94 PRO CA C 13 62.8 0.2 . 1 . . . A 94 PRO CA . 18016 1 1139 . 1 1 94 94 PRO CB C 13 31.6 0.2 . 1 . . . A 94 PRO CB . 18016 1 1140 . 1 1 94 94 PRO CG C 13 25.6 0.2 . 1 . . . A 94 PRO CG . 18016 1 1141 . 1 1 94 94 PRO CD C 13 47.3 0.2 . 1 . . . A 94 PRO CD . 18016 1 1142 . 1 1 95 95 LEU HA H 1 3.50 0.02 . 1 . . . A 95 LEU HA . 18016 1 1143 . 1 1 95 95 LEU HB2 H 1 0.95 0.02 . 2 . . . A 95 LEU HB2 . 18016 1 1144 . 1 1 95 95 LEU HB3 H 1 0.33 0.02 . 2 . . . A 95 LEU HB3 . 18016 1 1145 . 1 1 95 95 LEU HG H 1 1.25 0.02 . 1 . . . A 95 LEU HG . 18016 1 1146 . 1 1 95 95 LEU HD11 H 1 0.77 0.02 . 2 . . . A 95 LEU HD11 . 18016 1 1147 . 1 1 95 95 LEU HD12 H 1 0.77 0.02 . 2 . . . A 95 LEU HD12 . 18016 1 1148 . 1 1 95 95 LEU HD13 H 1 0.77 0.02 . 2 . . . A 95 LEU HD13 . 18016 1 1149 . 1 1 95 95 LEU HD21 H 1 0.77 0.02 . 2 . . . A 95 LEU HD21 . 18016 1 1150 . 1 1 95 95 LEU HD22 H 1 0.77 0.02 . 2 . . . A 95 LEU HD22 . 18016 1 1151 . 1 1 95 95 LEU HD23 H 1 0.77 0.02 . 2 . . . A 95 LEU HD23 . 18016 1 1152 . 1 1 95 95 LEU C C 13 175.0 0.2 . 1 . . . A 95 LEU C . 18016 1 1153 . 1 1 95 95 LEU CA C 13 56.1 0.2 . 1 . . . A 95 LEU CA . 18016 1 1154 . 1 1 95 95 LEU CB C 13 42.1 0.2 . 1 . . . A 95 LEU CB . 18016 1 1155 . 1 1 95 95 LEU CG C 13 26.8 0.2 . 1 . . . A 95 LEU CG . 18016 1 1156 . 1 1 95 95 LEU CD1 C 13 24.5 0.2 . 2 . . . A 95 LEU CD1 . 18016 1 1157 . 1 1 95 95 LEU CD2 C 13 24.5 0.2 . 2 . . . A 95 LEU CD2 . 18016 1 1158 . 1 1 96 96 ASP H H 1 7.23 0.02 . 1 . . . A 96 ASP H . 18016 1 1159 . 1 1 96 96 ASP HA H 1 4.95 0.02 . 1 . . . A 96 ASP HA . 18016 1 1160 . 1 1 96 96 ASP HB2 H 1 3.09 0.02 . 2 . . . A 96 ASP HB2 . 18016 1 1161 . 1 1 96 96 ASP HB3 H 1 2.66 0.02 . 2 . . . A 96 ASP HB3 . 18016 1 1162 . 1 1 96 96 ASP C C 13 175.8 0.2 . 1 . . . A 96 ASP C . 18016 1 1163 . 1 1 96 96 ASP CA C 13 54.0 0.2 . 1 . . . A 96 ASP CA . 18016 1 1164 . 1 1 96 96 ASP CB C 13 41.9 0.2 . 1 . . . A 96 ASP CB . 18016 1 1165 . 1 1 96 96 ASP N N 15 114.0 0.2 . 1 . . . A 96 ASP N . 18016 1 1166 . 1 1 97 97 ASP H H 1 7.42 0.02 . 1 . . . A 97 ASP H . 18016 1 1167 . 1 1 97 97 ASP HA H 1 4.61 0.02 . 1 . . . A 97 ASP HA . 18016 1 1168 . 1 1 97 97 ASP HB2 H 1 2.73 0.02 . 2 . . . A 97 ASP HB2 . 18016 1 1169 . 1 1 97 97 ASP HB3 H 1 2.73 0.02 . 2 . . . A 97 ASP HB3 . 18016 1 1170 . 1 1 97 97 ASP CA C 13 53.5 0.2 . 1 . . . A 97 ASP CA . 18016 1 1171 . 1 1 97 97 ASP CB C 13 38.7 0.2 . 1 . . . A 97 ASP CB . 18016 1 1172 . 1 1 97 97 ASP N N 15 123.2 0.2 . 1 . . . A 97 ASP N . 18016 1 1173 . 1 1 98 98 PRO HA H 1 4.29 0.02 . 1 . . . A 98 PRO HA . 18016 1 1174 . 1 1 98 98 PRO HB2 H 1 2.22 0.02 . 2 . . . A 98 PRO HB2 . 18016 1 1175 . 1 1 98 98 PRO HB3 H 1 1.84 0.02 . 2 . . . A 98 PRO HB3 . 18016 1 1176 . 1 1 98 98 PRO HG2 H 1 2.02 0.02 . 2 . . . A 98 PRO HG2 . 18016 1 1177 . 1 1 98 98 PRO HG3 H 1 2.02 0.02 . 2 . . . A 98 PRO HG3 . 18016 1 1178 . 1 1 98 98 PRO HD2 H 1 3.80 0.02 . 2 . . . A 98 PRO HD2 . 18016 1 1179 . 1 1 98 98 PRO HD3 H 1 3.57 0.02 . 2 . . . A 98 PRO HD3 . 18016 1 1180 . 1 1 98 98 PRO C C 13 177.5 0.2 . 1 . . . A 98 PRO C . 18016 1 1181 . 1 1 98 98 PRO CA C 13 62.7 0.2 . 1 . . . A 98 PRO CA . 18016 1 1182 . 1 1 98 98 PRO CB C 13 31.9 0.2 . 1 . . . A 98 PRO CB . 18016 1 1183 . 1 1 98 98 PRO CG C 13 27.6 0.2 . 1 . . . A 98 PRO CG . 18016 1 1184 . 1 1 98 98 PRO CD C 13 50.1 0.2 . 1 . . . A 98 PRO CD . 18016 1 1185 . 1 1 99 99 ARG H H 1 8.39 0.02 . 1 . . . A 99 ARG H . 18016 1 1186 . 1 1 99 99 ARG HA H 1 3.71 0.02 . 1 . . . A 99 ARG HA . 18016 1 1187 . 1 1 99 99 ARG HB2 H 1 1.55 0.02 . 2 . . . A 99 ARG HB2 . 18016 1 1188 . 1 1 99 99 ARG HB3 H 1 1.32 0.02 . 2 . . . A 99 ARG HB3 . 18016 1 1189 . 1 1 99 99 ARG HG2 H 1 1.16 0.02 . 2 . . . A 99 ARG HG2 . 18016 1 1190 . 1 1 99 99 ARG HG3 H 1 0.62 0.02 . 2 . . . A 99 ARG HG3 . 18016 1 1191 . 1 1 99 99 ARG HD2 H 1 2.62 0.02 . 2 . . . A 99 ARG HD2 . 18016 1 1192 . 1 1 99 99 ARG HD3 H 1 2.62 0.02 . 2 . . . A 99 ARG HD3 . 18016 1 1193 . 1 1 99 99 ARG HE H 1 7.81 0.02 . 1 . . . A 99 ARG HE . 18016 1 1194 . 1 1 99 99 ARG C C 13 176.5 0.2 . 1 . . . A 99 ARG C . 18016 1 1195 . 1 1 99 99 ARG CA C 13 56.1 0.2 . 1 . . . A 99 ARG CA . 18016 1 1196 . 1 1 99 99 ARG CB C 13 30.5 0.2 . 1 . . . A 99 ARG CB . 18016 1 1197 . 1 1 99 99 ARG CG C 13 27.3 0.2 . 1 . . . A 99 ARG CG . 18016 1 1198 . 1 1 99 99 ARG CD C 13 42.7 0.2 . 1 . . . A 99 ARG CD . 18016 1 1199 . 1 1 99 99 ARG N N 15 121.3 0.2 . 1 . . . A 99 ARG N . 18016 1 1200 . 1 1 99 99 ARG NE N 15 85.5 0.2 . 1 . . . A 99 ARG NE . 18016 1 1201 . 1 1 100 100 ASP H H 1 8.26 0.02 . 1 . . . A 100 ASP H . 18016 1 1202 . 1 1 100 100 ASP HA H 1 4.50 0.02 . 1 . . . A 100 ASP HA . 18016 1 1203 . 1 1 100 100 ASP HB2 H 1 2.64 0.02 . 2 . . . A 100 ASP HB2 . 18016 1 1204 . 1 1 100 100 ASP HB3 H 1 2.64 0.02 . 2 . . . A 100 ASP HB3 . 18016 1 1205 . 1 1 100 100 ASP C C 13 177.0 0.2 . 1 . . . A 100 ASP C . 18016 1 1206 . 1 1 100 100 ASP CA C 13 54.7 0.2 . 1 . . . A 100 ASP CA . 18016 1 1207 . 1 1 100 100 ASP CB C 13 40.9 0.2 . 1 . . . A 100 ASP CB . 18016 1 1208 . 1 1 100 100 ASP N N 15 119.6 0.2 . 1 . . . A 100 ASP N . 18016 1 1209 . 1 1 101 101 GLY H H 1 8.45 0.02 . 1 . . . A 101 GLY H . 18016 1 1210 . 1 1 101 101 GLY HA2 H 1 3.98 0.02 . 2 . . . A 101 GLY HA2 . 18016 1 1211 . 1 1 101 101 GLY HA3 H 1 3.91 0.02 . 2 . . . A 101 GLY HA3 . 18016 1 1212 . 1 1 101 101 GLY CA C 13 45.4 0.2 . 1 . . . A 101 GLY CA . 18016 1 1213 . 1 1 101 101 GLY N N 15 109.3 0.2 . 1 . . . A 101 GLY N . 18016 1 1214 . 1 1 102 102 GLU H H 1 8.14 0.02 . 1 . . . A 102 GLU H . 18016 1 1215 . 1 1 102 102 GLU HA H 1 4.31 0.02 . 1 . . . A 102 GLU HA . 18016 1 1216 . 1 1 102 102 GLU HB2 H 1 2.03 0.02 . 2 . . . A 102 GLU HB2 . 18016 1 1217 . 1 1 102 102 GLU HB3 H 1 1.89 0.02 . 2 . . . A 102 GLU HB3 . 18016 1 1218 . 1 1 102 102 GLU HG2 H 1 2.17 0.02 . 2 . . . A 102 GLU HG2 . 18016 1 1219 . 1 1 102 102 GLU HG3 H 1 2.17 0.02 . 2 . . . A 102 GLU HG3 . 18016 1 1220 . 1 1 102 102 GLU CA C 13 56.0 0.2 . 1 . . . A 102 GLU CA . 18016 1 1221 . 1 1 102 102 GLU CB C 13 30.5 0.2 . 1 . . . A 102 GLU CB . 18016 1 1222 . 1 1 102 102 GLU CG C 13 36.4 0.2 . 1 . . . A 102 GLU CG . 18016 1 1223 . 1 1 102 102 GLU N N 15 119.8 0.2 . 1 . . . A 102 GLU N . 18016 1 1224 . 1 1 103 103 GLU H H 1 8.58 0.02 . 1 . . . A 103 GLU H . 18016 1 1225 . 1 1 103 103 GLU HA H 1 4.56 0.02 . 1 . . . A 103 GLU HA . 18016 1 1226 . 1 1 103 103 GLU HB2 H 1 2.03 0.02 . 2 . . . A 103 GLU HB2 . 18016 1 1227 . 1 1 103 103 GLU HB3 H 1 1.87 0.02 . 2 . . . A 103 GLU HB3 . 18016 1 1228 . 1 1 103 103 GLU HG2 H 1 2.28 0.02 . 2 . . . A 103 GLU HG2 . 18016 1 1229 . 1 1 103 103 GLU HG3 H 1 2.28 0.02 . 2 . . . A 103 GLU HG3 . 18016 1 1230 . 1 1 103 103 GLU CA C 13 54.3 0.2 . 1 . . . A 103 GLU CA . 18016 1 1231 . 1 1 103 103 GLU CB C 13 29.6 0.2 . 1 . . . A 103 GLU CB . 18016 1 1232 . 1 1 103 103 GLU CG C 13 35.9 0.2 . 1 . . . A 103 GLU CG . 18016 1 1233 . 1 1 103 103 GLU N N 15 123.0 0.2 . 1 . . . A 103 GLU N . 18016 1 1234 . 1 1 104 104 PRO HA H 1 4.48 0.02 . 1 . . . A 104 PRO HA . 18016 1 1235 . 1 1 104 104 PRO HB2 H 1 2.27 0.02 . 2 . . . A 104 PRO HB2 . 18016 1 1236 . 1 1 104 104 PRO HB3 H 1 1.92 0.02 . 2 . . . A 104 PRO HB3 . 18016 1 1237 . 1 1 104 104 PRO HG2 H 1 2.03 0.02 . 2 . . . A 104 PRO HG2 . 18016 1 1238 . 1 1 104 104 PRO HG3 H 1 1.93 0.02 . 2 . . . A 104 PRO HG3 . 18016 1 1239 . 1 1 104 104 PRO HD2 H 1 3.78 0.02 . 2 . . . A 104 PRO HD2 . 18016 1 1240 . 1 1 104 104 PRO HD3 H 1 3.70 0.02 . 2 . . . A 104 PRO HD3 . 18016 1 1241 . 1 1 104 104 PRO C C 13 176.8 0.2 . 1 . . . A 104 PRO C . 18016 1 1242 . 1 1 104 104 PRO CA C 13 63.4 0.2 . 1 . . . A 104 PRO CA . 18016 1 1243 . 1 1 104 104 PRO CB C 13 32.1 0.2 . 1 . . . A 104 PRO CB . 18016 1 1244 . 1 1 104 104 PRO CD C 13 50.6 0.2 . 1 . . . A 104 PRO CD . 18016 1 1245 . 1 1 105 105 ASP H H 1 8.50 0.02 . 1 . . . A 105 ASP H . 18016 1 1246 . 1 1 105 105 ASP HA H 1 4.58 0.02 . 1 . . . A 105 ASP HA . 18016 1 1247 . 1 1 105 105 ASP C C 13 177.1 0.2 . 1 . . . A 105 ASP C . 18016 1 1248 . 1 1 105 105 ASP CA C 13 54.3 0.2 . 1 . . . A 105 ASP CA . 18016 1 1249 . 1 1 105 105 ASP CB C 13 41.4 0.2 . 1 . . . A 105 ASP CB . 18016 1 1250 . 1 1 105 105 ASP N N 15 120.4 0.2 . 1 . . . A 105 ASP N . 18016 1 1251 . 1 1 106 106 GLY H H 1 8.36 0.02 . 1 . . . A 106 GLY H . 18016 1 1252 . 1 1 106 106 GLY HA2 H 1 3.95 0.02 . 2 . . . A 106 GLY HA2 . 18016 1 1253 . 1 1 106 106 GLY HA3 H 1 3.95 0.02 . 2 . . . A 106 GLY HA3 . 18016 1 1254 . 1 1 106 106 GLY C C 13 174.6 0.2 . 1 . . . A 106 GLY C . 18016 1 1255 . 1 1 106 106 GLY CA C 13 45.4 0.2 . 1 . . . A 106 GLY CA . 18016 1 1256 . 1 1 106 106 GLY N N 15 109.3 0.2 . 1 . . . A 106 GLY N . 18016 1 1257 . 1 1 107 107 GLU H H 1 8.41 0.02 . 1 . . . A 107 GLU H . 18016 1 1258 . 1 1 107 107 GLU HA H 1 4.34 0.02 . 1 . . . A 107 GLU HA . 18016 1 1259 . 1 1 107 107 GLU HB2 H 1 2.09 0.02 . 2 . . . A 107 GLU HB2 . 18016 1 1260 . 1 1 107 107 GLU HB3 H 1 1.94 0.02 . 2 . . . A 107 GLU HB3 . 18016 1 1261 . 1 1 107 107 GLU HG2 H 1 2.25 0.02 . 2 . . . A 107 GLU HG2 . 18016 1 1262 . 1 1 107 107 GLU HG3 H 1 2.25 0.02 . 2 . . . A 107 GLU HG3 . 18016 1 1263 . 1 1 107 107 GLU C C 13 177.1 0.2 . 1 . . . A 107 GLU C . 18016 1 1264 . 1 1 107 107 GLU CA C 13 56.5 0.2 . 1 . . . A 107 GLU CA . 18016 1 1265 . 1 1 107 107 GLU CB C 13 30.2 0.2 . 1 . . . A 107 GLU CB . 18016 1 1266 . 1 1 107 107 GLU CG C 13 36.1 0.2 . 1 . . . A 107 GLU CG . 18016 1 1267 . 1 1 107 107 GLU N N 15 120.4 0.2 . 1 . . . A 107 GLU N . 18016 1 1268 . 1 1 108 108 SER H H 1 8.46 0.02 . 1 . . . A 108 SER H . 18016 1 1269 . 1 1 108 108 SER HA H 1 4.45 0.02 . 1 . . . A 108 SER HA . 18016 1 1270 . 1 1 108 108 SER HB2 H 1 3.92 0.02 . 2 . . . A 108 SER HB2 . 18016 1 1271 . 1 1 108 108 SER HB3 H 1 3.92 0.02 . 2 . . . A 108 SER HB3 . 18016 1 1272 . 1 1 108 108 SER C C 13 175.3 0.2 . 1 . . . A 108 SER C . 18016 1 1273 . 1 1 108 108 SER CA C 13 58.7 0.2 . 1 . . . A 108 SER CA . 18016 1 1274 . 1 1 108 108 SER CB C 13 63.8 0.2 . 1 . . . A 108 SER CB . 18016 1 1275 . 1 1 108 108 SER N N 15 116.6 0.2 . 1 . . . A 108 SER N . 18016 1 1276 . 1 1 109 109 GLY H H 1 8.50 0.02 . 1 . . . A 109 GLY H . 18016 1 1277 . 1 1 109 109 GLY HA2 H 1 4.01 0.02 . 2 . . . A 109 GLY HA2 . 18016 1 1278 . 1 1 109 109 GLY HA3 H 1 3.99 0.02 . 2 . . . A 109 GLY HA3 . 18016 1 1279 . 1 1 109 109 GLY C C 13 174.5 0.2 . 1 . . . A 109 GLY C . 18016 1 1280 . 1 1 109 109 GLY CA C 13 45.3 0.2 . 1 . . . A 109 GLY CA . 18016 1 1281 . 1 1 109 109 GLY N N 15 110.8 0.2 . 1 . . . A 109 GLY N . 18016 1 1282 . 1 1 110 110 GLY H H 1 8.14 0.02 . 1 . . . A 110 GLY H . 18016 1 1283 . 1 1 110 110 GLY HA2 H 1 4.13 0.02 . 2 . . . A 110 GLY HA2 . 18016 1 1284 . 1 1 110 110 GLY HA3 H 1 3.86 0.02 . 2 . . . A 110 GLY HA3 . 18016 1 1285 . 1 1 110 110 GLY CA C 13 44.4 0.2 . 1 . . . A 110 GLY CA . 18016 1 1286 . 1 1 110 110 GLY N N 15 108.8 0.2 . 1 . . . A 110 GLY N . 18016 1 1287 . 1 1 111 111 PRO HA H 1 4.61 0.02 . 1 . . . A 111 PRO HA . 18016 1 1288 . 1 1 111 111 PRO HB2 H 1 2.38 0.02 . 2 . . . A 111 PRO HB2 . 18016 1 1289 . 1 1 111 111 PRO HB3 H 1 2.16 0.02 . 2 . . . A 111 PRO HB3 . 18016 1 1290 . 1 1 111 111 PRO HG2 H 1 1.94 0.02 . 2 . . . A 111 PRO HG2 . 18016 1 1291 . 1 1 111 111 PRO HG3 H 1 1.94 0.02 . 2 . . . A 111 PRO HG3 . 18016 1 1292 . 1 1 111 111 PRO HD2 H 1 3.57 0.02 . 2 . . . A 111 PRO HD2 . 18016 1 1293 . 1 1 111 111 PRO HD3 H 1 3.57 0.02 . 2 . . . A 111 PRO HD3 . 18016 1 1294 . 1 1 111 111 PRO C C 13 176.0 0.2 . 1 . . . A 111 PRO C . 18016 1 1295 . 1 1 111 111 PRO CA C 13 62.6 0.2 . 1 . . . A 111 PRO CA . 18016 1 1296 . 1 1 111 111 PRO CB C 13 34.6 0.2 . 1 . . . A 111 PRO CB . 18016 1 1297 . 1 1 111 111 PRO CG C 13 24.7 0.2 . 1 . . . A 111 PRO CG . 18016 1 1298 . 1 1 111 111 PRO CD C 13 50.1 0.2 . 1 . . . A 111 PRO CD . 18016 1 1299 . 1 1 112 112 ARG H H 1 8.36 0.02 . 1 . . . A 112 ARG H . 18016 1 1300 . 1 1 112 112 ARG HA H 1 4.18 0.02 . 1 . . . A 112 ARG HA . 18016 1 1301 . 1 1 112 112 ARG HB2 H 1 1.86 0.02 . 2 . . . A 112 ARG HB2 . 18016 1 1302 . 1 1 112 112 ARG HB3 H 1 1.71 0.02 . 2 . . . A 112 ARG HB3 . 18016 1 1303 . 1 1 112 112 ARG CA C 13 57.3 0.2 . 1 . . . A 112 ARG CA . 18016 1 1304 . 1 1 112 112 ARG CB C 13 31.3 0.2 . 1 . . . A 112 ARG CB . 18016 1 1305 . 1 1 112 112 ARG N N 15 127.0 0.2 . 1 . . . A 112 ARG N . 18016 1 stop_ save_