data_6518 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6518 _Entry.Title ; H,C,N chemical shift assignments for Allochromatium DsrC: Northeast Structural Genomics Consortium target OP4 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-02-19 _Entry.Accession_date 2005-02-21 _Entry.Last_release_date 2005-04-26 _Entry.Original_release_date 2005-04-26 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 John Cort . R. . 6518 2 Michael Kennedy . A. . 6518 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6518 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 477 6518 '15N chemical shifts' 113 6518 '1H chemical shifts' 760 6518 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 . . 2005-04-26 2005-02-19 original author . 6518 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6518 _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 'H,C,N Chemical Shift Assignments of A. vinosum DsrC' _Citation.Status 'in preparation' _Citation.Type 'BMRB only' _Citation.Journal_abbrev . _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 John Cort . R. . 6518 1 2 Michael Kennedy . A. . 6518 1 stop_ save_ save_entry_citation_2 _Citation.Sf_category citations _Citation.Sf_framecode entry_citation_2 _Citation.Entry_ID 6518 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15687204 _Citation.Full_citation . _Citation.Title ; Novel genes of the dsr gene cluster and evidence for close interaction of Dsr proteins during sulfur oxidation in the phototrophic sulfur bacterium Allochromatium vinosum ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Bacteriol.' _Citation.Journal_name_full . _Citation.Journal_volume 187 _Citation.Journal_issue 4 _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 1392 _Citation.Page_last 1404 _Citation.Year 2005 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 C. Dahl . . . 6518 2 2 S. Engels . . . 6518 2 3 A. Pott-Sperling S. . . 6518 2 4 A. Schulte . . . 6518 2 5 J. Sander . . . 6518 2 6 Y. Lubbe . . . 6518 2 7 O. Deuster . . . 6518 2 8 D. Brune C. . . 6518 2 stop_ save_ save_entry_citation_3 _Citation.Sf_category citations _Citation.Sf_framecode entry_citation_3 _Citation.Entry_ID 6518 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 9695921 _Citation.Full_citation . _Citation.Title ; Sirohaem sulfite reductase and other proteins encoded by genes at the dsr locus of Chromatium vinosum are involved in the oxidation of intracellular sulfur ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Microbiology (Reading, U. K.)' _Citation.Journal_name_full . _Citation.Journal_volume 144 _Citation.Journal_issue 7 _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 1881 _Citation.Page_last 1894 _Citation.Year 1998 _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 A. Pott S. . . 6518 3 2 C. Dahl . . . 6518 3 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6518 _Assembly.ID 1 _Assembly.Name DsrC _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details polypeptide _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 DsrC 1 $DsrC . . yes native no no . . . 6518 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'component of sulfide oxidation system in Allochromatium vinosum' 6518 1 'putative gamma subunit of dissimilatory sulfite reductase' 6518 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_DsrC _Entity.Sf_category entity _Entity.Sf_framecode DsrC _Entity.Entry_ID 6518 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name DsrC _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MADTIEVDGKQFAVDEEGYL SNLNDWVPGVADVMAKQDNL ELTEEHWDIINFLREYYEEY QIAPAVRVLTKAVGKKLGKE KGNSKYLYSLFPYGPAKQAC RFAGLPKPTGCV ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _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 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1YX3 . "Nmr Structure Of Allochromatium Vinosum Dsrc: Northeast Structural Genomics Consortium Target Op4" . . . . . 100.00 132 100.00 100.00 4.12e-77 . . . . 6518 1 2 no GB AAC35399 . "DsrC [Allochromatium vinosum DSM 180]" . . . . . 100.00 112 100.00 100.00 1.64e-76 . . . . 6518 1 3 no GB ADC62195 . "DsrC [Allochromatium vinosum DSM 180]" . . . . . 100.00 112 100.00 100.00 1.64e-76 . . . . 6518 1 4 no GB EXJ14779 . "tRNA 2-thiouridine synthesizing protein E [Thiorhodococcus sp. AK35]" . . . . . 100.00 112 97.32 99.11 6.07e-75 . . . . 6518 1 5 no REF WP_012970469 . "sulfur transfer protein TusE [Allochromatium vinosum]" . . . . . 100.00 112 100.00 100.00 1.64e-76 . . . . 6518 1 6 no REF YP_003443227 . "DsrC protein [Allochromatium vinosum DSM 180]" . . . . . 100.00 112 100.00 100.00 1.64e-76 . . . . 6518 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 6518 1 2 . ALA . 6518 1 3 . ASP . 6518 1 4 . THR . 6518 1 5 . ILE . 6518 1 6 . GLU . 6518 1 7 . VAL . 6518 1 8 . ASP . 6518 1 9 . GLY . 6518 1 10 . LYS . 6518 1 11 . GLN . 6518 1 12 . PHE . 6518 1 13 . ALA . 6518 1 14 . VAL . 6518 1 15 . ASP . 6518 1 16 . GLU . 6518 1 17 . GLU . 6518 1 18 . GLY . 6518 1 19 . TYR . 6518 1 20 . LEU . 6518 1 21 . SER . 6518 1 22 . ASN . 6518 1 23 . LEU . 6518 1 24 . ASN . 6518 1 25 . ASP . 6518 1 26 . TRP . 6518 1 27 . VAL . 6518 1 28 . PRO . 6518 1 29 . GLY . 6518 1 30 . VAL . 6518 1 31 . ALA . 6518 1 32 . ASP . 6518 1 33 . VAL . 6518 1 34 . MET . 6518 1 35 . ALA . 6518 1 36 . LYS . 6518 1 37 . GLN . 6518 1 38 . ASP . 6518 1 39 . ASN . 6518 1 40 . LEU . 6518 1 41 . GLU . 6518 1 42 . LEU . 6518 1 43 . THR . 6518 1 44 . GLU . 6518 1 45 . GLU . 6518 1 46 . HIS . 6518 1 47 . TRP . 6518 1 48 . ASP . 6518 1 49 . ILE . 6518 1 50 . ILE . 6518 1 51 . ASN . 6518 1 52 . PHE . 6518 1 53 . LEU . 6518 1 54 . ARG . 6518 1 55 . GLU . 6518 1 56 . TYR . 6518 1 57 . TYR . 6518 1 58 . GLU . 6518 1 59 . GLU . 6518 1 60 . TYR . 6518 1 61 . GLN . 6518 1 62 . ILE . 6518 1 63 . ALA . 6518 1 64 . PRO . 6518 1 65 . ALA . 6518 1 66 . VAL . 6518 1 67 . ARG . 6518 1 68 . VAL . 6518 1 69 . LEU . 6518 1 70 . THR . 6518 1 71 . LYS . 6518 1 72 . ALA . 6518 1 73 . VAL . 6518 1 74 . GLY . 6518 1 75 . LYS . 6518 1 76 . LYS . 6518 1 77 . LEU . 6518 1 78 . GLY . 6518 1 79 . LYS . 6518 1 80 . GLU . 6518 1 81 . LYS . 6518 1 82 . GLY . 6518 1 83 . ASN . 6518 1 84 . SER . 6518 1 85 . LYS . 6518 1 86 . TYR . 6518 1 87 . LEU . 6518 1 88 . TYR . 6518 1 89 . SER . 6518 1 90 . LEU . 6518 1 91 . PHE . 6518 1 92 . PRO . 6518 1 93 . TYR . 6518 1 94 . GLY . 6518 1 95 . PRO . 6518 1 96 . ALA . 6518 1 97 . LYS . 6518 1 98 . GLN . 6518 1 99 . ALA . 6518 1 100 . CYS . 6518 1 101 . ARG . 6518 1 102 . PHE . 6518 1 103 . ALA . 6518 1 104 . GLY . 6518 1 105 . LEU . 6518 1 106 . PRO . 6518 1 107 . LYS . 6518 1 108 . PRO . 6518 1 109 . THR . 6518 1 110 . GLY . 6518 1 111 . CYS . 6518 1 112 . VAL . 6518 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 6518 1 . ALA 2 2 6518 1 . ASP 3 3 6518 1 . THR 4 4 6518 1 . ILE 5 5 6518 1 . GLU 6 6 6518 1 . VAL 7 7 6518 1 . ASP 8 8 6518 1 . GLY 9 9 6518 1 . LYS 10 10 6518 1 . GLN 11 11 6518 1 . PHE 12 12 6518 1 . ALA 13 13 6518 1 . VAL 14 14 6518 1 . ASP 15 15 6518 1 . GLU 16 16 6518 1 . GLU 17 17 6518 1 . GLY 18 18 6518 1 . TYR 19 19 6518 1 . LEU 20 20 6518 1 . SER 21 21 6518 1 . ASN 22 22 6518 1 . LEU 23 23 6518 1 . ASN 24 24 6518 1 . ASP 25 25 6518 1 . TRP 26 26 6518 1 . VAL 27 27 6518 1 . PRO 28 28 6518 1 . GLY 29 29 6518 1 . VAL 30 30 6518 1 . ALA 31 31 6518 1 . ASP 32 32 6518 1 . VAL 33 33 6518 1 . MET 34 34 6518 1 . ALA 35 35 6518 1 . LYS 36 36 6518 1 . GLN 37 37 6518 1 . ASP 38 38 6518 1 . ASN 39 39 6518 1 . LEU 40 40 6518 1 . GLU 41 41 6518 1 . LEU 42 42 6518 1 . THR 43 43 6518 1 . GLU 44 44 6518 1 . GLU 45 45 6518 1 . HIS 46 46 6518 1 . TRP 47 47 6518 1 . ASP 48 48 6518 1 . ILE 49 49 6518 1 . ILE 50 50 6518 1 . ASN 51 51 6518 1 . PHE 52 52 6518 1 . LEU 53 53 6518 1 . ARG 54 54 6518 1 . GLU 55 55 6518 1 . TYR 56 56 6518 1 . TYR 57 57 6518 1 . GLU 58 58 6518 1 . GLU 59 59 6518 1 . TYR 60 60 6518 1 . GLN 61 61 6518 1 . ILE 62 62 6518 1 . ALA 63 63 6518 1 . PRO 64 64 6518 1 . ALA 65 65 6518 1 . VAL 66 66 6518 1 . ARG 67 67 6518 1 . VAL 68 68 6518 1 . LEU 69 69 6518 1 . THR 70 70 6518 1 . LYS 71 71 6518 1 . ALA 72 72 6518 1 . VAL 73 73 6518 1 . GLY 74 74 6518 1 . LYS 75 75 6518 1 . LYS 76 76 6518 1 . LEU 77 77 6518 1 . GLY 78 78 6518 1 . LYS 79 79 6518 1 . GLU 80 80 6518 1 . LYS 81 81 6518 1 . GLY 82 82 6518 1 . ASN 83 83 6518 1 . SER 84 84 6518 1 . LYS 85 85 6518 1 . TYR 86 86 6518 1 . LEU 87 87 6518 1 . TYR 88 88 6518 1 . SER 89 89 6518 1 . LEU 90 90 6518 1 . PHE 91 91 6518 1 . PRO 92 92 6518 1 . TYR 93 93 6518 1 . GLY 94 94 6518 1 . PRO 95 95 6518 1 . ALA 96 96 6518 1 . LYS 97 97 6518 1 . GLN 98 98 6518 1 . ALA 99 99 6518 1 . CYS 100 100 6518 1 . ARG 101 101 6518 1 . PHE 102 102 6518 1 . ALA 103 103 6518 1 . GLY 104 104 6518 1 . LEU 105 105 6518 1 . PRO 106 106 6518 1 . LYS 107 107 6518 1 . PRO 108 108 6518 1 . THR 109 109 6518 1 . GLY 110 110 6518 1 . CYS 111 111 6518 1 . VAL 112 112 6518 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 6518 _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 $DsrC . 1049 organism . 'Allochromatium vinosum' 'Allochromatium vinosum' . . Eubacteria 'Not applicable' Allochromatium vinosum . . . . . . . . . . . . . . . . . . . . . 6518 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 6518 _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 $DsrC . 'recombinant technology' . 'E. coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . . . . . . . . 6518 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6518 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 DsrC '[U-13C; U-15N]' . . 1 $DsrC . protein 1 . . mM . . . . 6518 1 2 NaCl . . . . . . salt 500 . . mM . . . . 6518 1 3 'Sodium Phosphate' . . . . . . buffer 50 . . mM . . . . 6518 1 4 DTT . . . . . . 'reducing agent' 5 . . mM . . . . 6518 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6518 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.4 0.1 pH 6518 1 temperature 298 1 K 6518 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer _NMR_spectrometer.Entry_ID 6518 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength '600 MHz' save_ save_800MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 800MHz_spectrometer _NMR_spectrometer.Entry_ID 6518 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength '800 MHz' save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6518 _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 1H15N_HSQC no 1 $1H15N_HSQC . . . . . . . . 1 $sample_1 isotropic . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6518 1 2 1H13C_HSQC no 1 $1H15N_HSQC . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6518 1 3 HNCACB no 1 $1H15N_HSQC . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6518 1 4 CBCACONH no 1 $1H15N_HSQC . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6518 1 5 HCCH-TOCSY no 1 $1H15N_HSQC . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6518 1 6 CC-TOCSY-NH no 1 $1H15N_HSQC . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6518 1 7 HCC-TOCSY-NH no 1 $1H15N_HSQC . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6518 1 8 HNHA no 1 $1H15N_HSQC . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6518 1 stop_ save_ save_1H15N_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H15N_HSQC _NMR_spec_expt.Entry_ID 6518 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 1H15N_HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6518 _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 0.0 . indirect 0.251449530 . . . . . . . . . 6518 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6518 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6518 1 P 31 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.404808636 . . . . . . . . . 6518 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6518 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 isotropic 6518 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HE1 H 1 2.09 0.02 . 1 . . . . . MET HE . 6518 1 2 . 1 1 1 1 MET HE2 H 1 2.09 0.02 . 1 . . . . . MET HE . 6518 1 3 . 1 1 1 1 MET HE3 H 1 2.09 0.02 . 1 . . . . . MET HE . 6518 1 4 . 1 1 1 1 MET C C 13 175.3 0.2 . 1 . . . . . MET C . 6518 1 5 . 1 1 1 1 MET CA C 13 55.3 0.2 . 1 . . . . . MET CA . 6518 1 6 . 1 1 1 1 MET CB C 13 33.1 0.2 . 1 . . . . . MET CB . 6518 1 7 . 1 1 1 1 MET CE C 13 17.1 0.2 . 1 . . . . . MET CE . 6518 1 8 . 1 1 2 2 ALA H H 1 8.29 0.02 . 1 . . . . . ALA H . 6518 1 9 . 1 1 2 2 ALA HA H 1 4.44 0.02 . 1 . . . . . ALA HA . 6518 1 10 . 1 1 2 2 ALA HB1 H 1 1.48 0.02 . 1 . . . . . ALA HB . 6518 1 11 . 1 1 2 2 ALA HB2 H 1 1.48 0.02 . 1 . . . . . ALA HB . 6518 1 12 . 1 1 2 2 ALA HB3 H 1 1.48 0.02 . 1 . . . . . ALA HB . 6518 1 13 . 1 1 2 2 ALA C C 13 177.1 0.2 . 1 . . . . . ALA C . 6518 1 14 . 1 1 2 2 ALA CA C 13 52.5 0.2 . 1 . . . . . ALA CA . 6518 1 15 . 1 1 2 2 ALA CB C 13 19.8 0.2 . 1 . . . . . ALA CB . 6518 1 16 . 1 1 2 2 ALA N N 15 125.4 0.2 . 1 . . . . . ALA N . 6518 1 17 . 1 1 3 3 ASP H H 1 8.39 0.02 . 1 . . . . . ASP H . 6518 1 18 . 1 1 3 3 ASP HA H 1 4.73 0.02 . 1 . . . . . ASP HA . 6518 1 19 . 1 1 3 3 ASP HB2 H 1 2.64 0.02 . 2 . . . . . ASP HB2 . 6518 1 20 . 1 1 3 3 ASP HB3 H 1 2.76 0.02 . 2 . . . . . ASP HB3 . 6518 1 21 . 1 1 3 3 ASP C C 13 175.7 0.2 . 1 . . . . . ASP C . 6518 1 22 . 1 1 3 3 ASP CA C 13 54.4 0.2 . 1 . . . . . ASP CA . 6518 1 23 . 1 1 3 3 ASP CB C 13 41.9 0.2 . 1 . . . . . ASP CB . 6518 1 24 . 1 1 3 3 ASP N N 15 119.4 0.2 . 1 . . . . . ASP N . 6518 1 25 . 1 1 4 4 THR H H 1 7.97 0.02 . 1 . . . . . THR H . 6518 1 26 . 1 1 4 4 THR HA H 1 5.39 0.02 . 1 . . . . . THR HA . 6518 1 27 . 1 1 4 4 THR HB H 1 4.01 0.02 . 1 . . . . . THR HB . 6518 1 28 . 1 1 4 4 THR HG21 H 1 1.06 0.02 . 1 . . . . . THR HG2 . 6518 1 29 . 1 1 4 4 THR HG22 H 1 1.06 0.02 . 1 . . . . . THR HG2 . 6518 1 30 . 1 1 4 4 THR HG23 H 1 1.06 0.02 . 1 . . . . . THR HG2 . 6518 1 31 . 1 1 4 4 THR C C 13 174.6 0.2 . 1 . . . . . THR C . 6518 1 32 . 1 1 4 4 THR CA C 13 59.9 0.2 . 1 . . . . . THR CA . 6518 1 33 . 1 1 4 4 THR CB C 13 73.3 0.2 . 1 . . . . . THR CB . 6518 1 34 . 1 1 4 4 THR CG2 C 13 21.7 0.2 . 1 . . . . . THR CG2 . 6518 1 35 . 1 1 4 4 THR N N 15 109.7 0.2 . 1 . . . . . THR N . 6518 1 36 . 1 1 5 5 ILE H H 1 8.88 0.02 . 1 . . . . . ILE H . 6518 1 37 . 1 1 5 5 ILE HA H 1 4.65 0.02 . 1 . . . . . ILE HA . 6518 1 38 . 1 1 5 5 ILE HB H 1 1.79 0.02 . 1 . . . . . ILE HB . 6518 1 39 . 1 1 5 5 ILE HG12 H 1 1.15 0.02 . 2 . . . . . ILE HG12 . 6518 1 40 . 1 1 5 5 ILE HG13 H 1 1.53 0.02 . 2 . . . . . ILE HG13 . 6518 1 41 . 1 1 5 5 ILE HG21 H 1 0.91 0.02 . 1 . . . . . ILE HG2 . 6518 1 42 . 1 1 5 5 ILE HG22 H 1 0.91 0.02 . 1 . . . . . ILE HG2 . 6518 1 43 . 1 1 5 5 ILE HG23 H 1 0.91 0.02 . 1 . . . . . ILE HG2 . 6518 1 44 . 1 1 5 5 ILE HD11 H 1 0.80 0.02 . 1 . . . . . ILE HD1 . 6518 1 45 . 1 1 5 5 ILE HD12 H 1 0.80 0.02 . 1 . . . . . ILE HD1 . 6518 1 46 . 1 1 5 5 ILE HD13 H 1 0.80 0.02 . 1 . . . . . ILE HD1 . 6518 1 47 . 1 1 5 5 ILE C C 13 173.6 0.2 . 1 . . . . . ILE C . 6518 1 48 . 1 1 5 5 ILE CA C 13 59.9 0.2 . 1 . . . . . ILE CA . 6518 1 49 . 1 1 5 5 ILE CB C 13 41.5 0.2 . 1 . . . . . ILE CB . 6518 1 50 . 1 1 5 5 ILE CG1 C 13 26.2 0.2 . 1 . . . . . ILE CG1 . 6518 1 51 . 1 1 5 5 ILE CG2 C 13 17.6 0.2 . 1 . . . . . ILE CG2 . 6518 1 52 . 1 1 5 5 ILE CD1 C 13 15.0 0.2 . 1 . . . . . ILE CD1 . 6518 1 53 . 1 1 5 5 ILE N N 15 115.8 0.2 . 1 . . . . . ILE N . 6518 1 54 . 1 1 6 6 GLU H H 1 8.37 0.02 . 1 . . . . . GLU H . 6518 1 55 . 1 1 6 6 GLU HA H 1 5.24 0.02 . 1 . . . . . GLU HA . 6518 1 56 . 1 1 6 6 GLU HB2 H 1 1.85 0.02 . 2 . . . . . GLU HB2 . 6518 1 57 . 1 1 6 6 GLU HB3 H 1 1.92 0.02 . 2 . . . . . GLU HB3 . 6518 1 58 . 1 1 6 6 GLU HG2 H 1 1.89 0.02 . 2 . . . . . GLU HG2 . 6518 1 59 . 1 1 6 6 GLU HG3 H 1 2.01 0.02 . 2 . . . . . GLU HG3 . 6518 1 60 . 1 1 6 6 GLU C C 13 175.6 0.2 . 1 . . . . . GLU C . 6518 1 61 . 1 1 6 6 GLU CA C 13 54.9 0.2 . 1 . . . . . GLU CA . 6518 1 62 . 1 1 6 6 GLU CB C 13 31.9 0.2 . 1 . . . . . GLU CB . 6518 1 63 . 1 1 6 6 GLU CG C 13 36.9 0.2 . 1 . . . . . GLU CG . 6518 1 64 . 1 1 6 6 GLU N N 15 124.0 0.2 . 1 . . . . . GLU N . 6518 1 65 . 1 1 7 7 VAL H H 1 8.84 0.02 . 1 . . . . . VAL H . 6518 1 66 . 1 1 7 7 VAL HA H 1 4.15 0.02 . 1 . . . . . VAL HA . 6518 1 67 . 1 1 7 7 VAL HB H 1 1.97 0.02 . 1 . . . . . VAL HB . 6518 1 68 . 1 1 7 7 VAL HG11 H 1 0.69 0.02 . 1 . . . . . VAL HG1 . 6518 1 69 . 1 1 7 7 VAL HG12 H 1 0.69 0.02 . 1 . . . . . VAL HG1 . 6518 1 70 . 1 1 7 7 VAL HG13 H 1 0.69 0.02 . 1 . . . . . VAL HG1 . 6518 1 71 . 1 1 7 7 VAL HG21 H 1 0.66 0.02 . 1 . . . . . VAL HG2 . 6518 1 72 . 1 1 7 7 VAL HG22 H 1 0.66 0.02 . 1 . . . . . VAL HG2 . 6518 1 73 . 1 1 7 7 VAL HG23 H 1 0.66 0.02 . 1 . . . . . VAL HG2 . 6518 1 74 . 1 1 7 7 VAL C C 13 175.6 0.2 . 1 . . . . . VAL C . 6518 1 75 . 1 1 7 7 VAL CA C 13 61.1 0.2 . 1 . . . . . VAL CA . 6518 1 76 . 1 1 7 7 VAL CB C 13 34.0 0.2 . 1 . . . . . VAL CB . 6518 1 77 . 1 1 7 7 VAL CG1 C 13 20.6 0.2 . 1 . . . . . VAL CG1 . 6518 1 78 . 1 1 7 7 VAL CG2 C 13 20.8 0.2 . 1 . . . . . VAL CG2 . 6518 1 79 . 1 1 7 7 VAL N N 15 125.2 0.2 . 1 . . . . . VAL N . 6518 1 80 . 1 1 8 8 ASP H H 1 9.27 0.02 . 1 . . . . . ASP H . 6518 1 81 . 1 1 8 8 ASP HA H 1 4.28 0.02 . 1 . . . . . ASP HA . 6518 1 82 . 1 1 8 8 ASP HB2 H 1 2.57 0.02 . 2 . . . . . ASP HB2 . 6518 1 83 . 1 1 8 8 ASP HB3 H 1 2.97 0.02 . 2 . . . . . ASP HB3 . 6518 1 84 . 1 1 8 8 ASP C C 13 175.9 0.2 . 1 . . . . . ASP C . 6518 1 85 . 1 1 8 8 ASP CA C 13 55.6 0.2 . 1 . . . . . ASP CA . 6518 1 86 . 1 1 8 8 ASP CB C 13 40.1 0.2 . 1 . . . . . ASP CB . 6518 1 87 . 1 1 8 8 ASP N N 15 128.6 0.2 . 1 . . . . . ASP N . 6518 1 88 . 1 1 9 9 GLY H H 1 8.59 0.02 . 1 . . . . . GLY H . 6518 1 89 . 1 1 9 9 GLY HA2 H 1 3.62 0.02 . 2 . . . . . GLY HA2 . 6518 1 90 . 1 1 9 9 GLY HA3 H 1 4.14 0.02 . 2 . . . . . GLY HA3 . 6518 1 91 . 1 1 9 9 GLY C C 13 173.7 0.2 . 1 . . . . . GLY C . 6518 1 92 . 1 1 9 9 GLY CA C 13 45.6 0.2 . 1 . . . . . GLY CA . 6518 1 93 . 1 1 9 9 GLY N N 15 103.6 0.2 . 1 . . . . . GLY N . 6518 1 94 . 1 1 10 10 LYS H H 1 7.87 0.02 . 1 . . . . . LYS H . 6518 1 95 . 1 1 10 10 LYS HA H 1 4.48 0.02 . 1 . . . . . LYS HA . 6518 1 96 . 1 1 10 10 LYS HB2 H 1 1.56 0.02 . 2 . . . . . LYS HB2 . 6518 1 97 . 1 1 10 10 LYS HB3 H 1 1.66 0.02 . 2 . . . . . LYS HB3 . 6518 1 98 . 1 1 10 10 LYS HG2 H 1 1.18 0.02 . 2 . . . . . LYS HG2 . 6518 1 99 . 1 1 10 10 LYS HG3 H 1 1.33 0.02 . 2 . . . . . LYS HG3 . 6518 1 100 . 1 1 10 10 LYS HD2 H 1 1.68 0.02 . 2 . . . . . LYS HD2 . 6518 1 101 . 1 1 10 10 LYS HD3 H 1 1.71 0.02 . 2 . . . . . LYS HD3 . 6518 1 102 . 1 1 10 10 LYS HE2 H 1 2.96 0.02 . 2 . . . . . LYS HE2 . 6518 1 103 . 1 1 10 10 LYS HE3 H 1 2.98 0.02 . 2 . . . . . LYS HE3 . 6518 1 104 . 1 1 10 10 LYS C C 13 174.5 0.2 . 1 . . . . . LYS C . 6518 1 105 . 1 1 10 10 LYS CA C 13 54.8 0.2 . 1 . . . . . LYS CA . 6518 1 106 . 1 1 10 10 LYS CB C 13 34.7 0.2 . 1 . . . . . LYS CB . 6518 1 107 . 1 1 10 10 LYS CG C 13 24.9 0.2 . 1 . . . . . LYS CG . 6518 1 108 . 1 1 10 10 LYS CD C 13 28.9 0.2 . 1 . . . . . LYS CD . 6518 1 109 . 1 1 10 10 LYS CE C 13 42.4 0.2 . 1 . . . . . LYS CE . 6518 1 110 . 1 1 10 10 LYS N N 15 122.3 0.2 . 1 . . . . . LYS N . 6518 1 111 . 1 1 11 11 GLN H H 1 8.16 0.02 . 1 . . . . . GLN H . 6518 1 112 . 1 1 11 11 GLN HA H 1 4.99 0.02 . 1 . . . . . GLN HA . 6518 1 113 . 1 1 11 11 GLN HB2 H 1 1.75 0.02 . 2 . . . . . GLN HB2 . 6518 1 114 . 1 1 11 11 GLN HB3 H 1 1.91 0.02 . 2 . . . . . GLN HB3 . 6518 1 115 . 1 1 11 11 GLN HG2 H 1 2.18 0.02 . 2 . . . . . GLN HG2 . 6518 1 116 . 1 1 11 11 GLN HG3 H 1 2.32 0.02 . 2 . . . . . GLN HG3 . 6518 1 117 . 1 1 11 11 GLN HE21 H 1 6.76 0.02 . 2 . . . . . GLN HE21 . 6518 1 118 . 1 1 11 11 GLN HE22 H 1 7.53 0.02 . 2 . . . . . GLN HE22 . 6518 1 119 . 1 1 11 11 GLN C C 13 175.9 0.2 . 1 . . . . . GLN C . 6518 1 120 . 1 1 11 11 GLN CA C 13 54.7 0.2 . 1 . . . . . GLN CA . 6518 1 121 . 1 1 11 11 GLN CB C 13 30.1 0.2 . 1 . . . . . GLN CB . 6518 1 122 . 1 1 11 11 GLN CG C 13 33.9 0.2 . 1 . . . . . GLN CG . 6518 1 123 . 1 1 11 11 GLN CD C 13 179.9 0.2 . 1 . . . . . GLN CD . 6518 1 124 . 1 1 11 11 GLN N N 15 119.7 0.2 . 1 . . . . . GLN N . 6518 1 125 . 1 1 11 11 GLN NE2 N 15 112.2 0.2 . 1 . . . . . GLN NE2 . 6518 1 126 . 1 1 12 12 PHE H H 1 9.11 0.02 . 1 . . . . . PHE H . 6518 1 127 . 1 1 12 12 PHE HA H 1 5.04 0.02 . 1 . . . . . PHE HA . 6518 1 128 . 1 1 12 12 PHE HB2 H 1 2.77 0.02 . 2 . . . . . PHE HB2 . 6518 1 129 . 1 1 12 12 PHE HB3 H 1 2.98 0.02 . 2 . . . . . PHE HB3 . 6518 1 130 . 1 1 12 12 PHE HD1 H 1 7.14 0.02 . 3 . . . . . PHE HD1 . 6518 1 131 . 1 1 12 12 PHE HE1 H 1 7.30 0.02 . 3 . . . . . PHE HE1 . 6518 1 132 . 1 1 12 12 PHE HZ H 1 7.18 0.02 . 1 . . . . . PHE HZ . 6518 1 133 . 1 1 12 12 PHE C C 13 174.9 0.2 . 1 . . . . . PHE C . 6518 1 134 . 1 1 12 12 PHE CA C 13 55.3 0.2 . 1 . . . . . PHE CA . 6518 1 135 . 1 1 12 12 PHE CB C 13 41.3 0.2 . 1 . . . . . PHE CB . 6518 1 136 . 1 1 12 12 PHE CD1 C 13 130.7 0.2 . 3 . . . . . PHE CD1 . 6518 1 137 . 1 1 12 12 PHE CE1 C 13 131.3 0.2 . 3 . . . . . PHE CE1 . 6518 1 138 . 1 1 12 12 PHE CZ C 13 129.5 0.2 . 1 . . . . . PHE CZ . 6518 1 139 . 1 1 12 12 PHE N N 15 122.7 0.2 . 1 . . . . . PHE N . 6518 1 140 . 1 1 13 13 ALA H H 1 8.94 0.02 . 1 . . . . . ALA H . 6518 1 141 . 1 1 13 13 ALA HA H 1 4.71 0.02 . 1 . . . . . ALA HA . 6518 1 142 . 1 1 13 13 ALA HB1 H 1 1.53 0.02 . 1 . . . . . ALA HB . 6518 1 143 . 1 1 13 13 ALA HB2 H 1 1.53 0.02 . 1 . . . . . ALA HB . 6518 1 144 . 1 1 13 13 ALA HB3 H 1 1.53 0.02 . 1 . . . . . ALA HB . 6518 1 145 . 1 1 13 13 ALA C C 13 177.6 0.2 . 1 . . . . . ALA C . 6518 1 146 . 1 1 13 13 ALA CA C 13 53.1 0.2 . 1 . . . . . ALA CA . 6518 1 147 . 1 1 13 13 ALA CB C 13 19.3 0.2 . 1 . . . . . ALA CB . 6518 1 148 . 1 1 13 13 ALA N N 15 125.8 0.2 . 1 . . . . . ALA N . 6518 1 149 . 1 1 14 14 VAL H H 1 8.08 0.02 . 1 . . . . . VAL H . 6518 1 150 . 1 1 14 14 VAL HA H 1 5.20 0.02 . 1 . . . . . VAL HA . 6518 1 151 . 1 1 14 14 VAL HB H 1 1.86 0.02 . 1 . . . . . VAL HB . 6518 1 152 . 1 1 14 14 VAL HG11 H 1 0.76 0.02 . 1 . . . . . VAL HG1 . 6518 1 153 . 1 1 14 14 VAL HG12 H 1 0.76 0.02 . 1 . . . . . VAL HG1 . 6518 1 154 . 1 1 14 14 VAL HG13 H 1 0.76 0.02 . 1 . . . . . VAL HG1 . 6518 1 155 . 1 1 14 14 VAL HG21 H 1 0.73 0.02 . 1 . . . . . VAL HG2 . 6518 1 156 . 1 1 14 14 VAL HG22 H 1 0.73 0.02 . 1 . . . . . VAL HG2 . 6518 1 157 . 1 1 14 14 VAL HG23 H 1 0.73 0.02 . 1 . . . . . VAL HG2 . 6518 1 158 . 1 1 14 14 VAL C C 13 175.7 0.2 . 1 . . . . . VAL C . 6518 1 159 . 1 1 14 14 VAL CA C 13 58.8 0.2 . 1 . . . . . VAL CA . 6518 1 160 . 1 1 14 14 VAL CB C 13 36.5 0.2 . 1 . . . . . VAL CB . 6518 1 161 . 1 1 14 14 VAL CG1 C 13 22.2 0.2 . 1 . . . . . VAL CG1 . 6518 1 162 . 1 1 14 14 VAL CG2 C 13 18.5 0.2 . 1 . . . . . VAL CG2 . 6518 1 163 . 1 1 14 14 VAL N N 15 114.8 0.2 . 1 . . . . . VAL N . 6518 1 164 . 1 1 15 15 ASP H H 1 9.01 0.02 . 1 . . . . . ASP H . 6518 1 165 . 1 1 15 15 ASP HA H 1 4.72 0.02 . 1 . . . . . ASP HA . 6518 1 166 . 1 1 15 15 ASP HB2 H 1 2.74 0.02 . 2 . . . . . ASP HB2 . 6518 1 167 . 1 1 15 15 ASP HB3 H 1 3.38 0.02 . 2 . . . . . ASP HB3 . 6518 1 168 . 1 1 15 15 ASP C C 13 178.5 0.2 . 1 . . . . . ASP C . 6518 1 169 . 1 1 15 15 ASP CA C 13 52.2 0.2 . 1 . . . . . ASP CA . 6518 1 170 . 1 1 15 15 ASP CB C 13 41.6 0.2 . 1 . . . . . ASP CB . 6518 1 171 . 1 1 15 15 ASP N N 15 120.5 0.2 . 1 . . . . . ASP N . 6518 1 172 . 1 1 16 16 GLU H H 1 8.97 0.02 . 1 . . . . . GLU H . 6518 1 173 . 1 1 16 16 GLU HA H 1 4.17 0.02 . 1 . . . . . GLU HA . 6518 1 174 . 1 1 16 16 GLU HB2 H 1 2.11 0.02 . 2 . . . . . GLU HB2 . 6518 1 175 . 1 1 16 16 GLU HB3 H 1 2.19 0.02 . 2 . . . . . GLU HB3 . 6518 1 176 . 1 1 16 16 GLU HG2 H 1 2.39 0.02 . 2 . . . . . GLU HG2 . 6518 1 177 . 1 1 16 16 GLU HG3 H 1 2.44 0.02 . 2 . . . . . GLU HG3 . 6518 1 178 . 1 1 16 16 GLU C C 13 177.3 0.2 . 1 . . . . . GLU C . 6518 1 179 . 1 1 16 16 GLU CA C 13 59.2 0.2 . 1 . . . . . GLU CA . 6518 1 180 . 1 1 16 16 GLU CB C 13 29.3 0.2 . 1 . . . . . GLU CB . 6518 1 181 . 1 1 16 16 GLU CG C 13 36.6 0.2 . 1 . . . . . GLU CG . 6518 1 182 . 1 1 16 16 GLU N N 15 116.5 0.2 . 1 . . . . . GLU N . 6518 1 183 . 1 1 17 17 GLU H H 1 8.29 0.02 . 1 . . . . . GLU H . 6518 1 184 . 1 1 17 17 GLU HA H 1 4.58 0.02 . 1 . . . . . GLU HA . 6518 1 185 . 1 1 17 17 GLU HB2 H 1 2.17 0.02 . 2 . . . . . GLU HB2 . 6518 1 186 . 1 1 17 17 GLU HB3 H 1 2.62 0.02 . 2 . . . . . GLU HB3 . 6518 1 187 . 1 1 17 17 GLU HG2 H 1 2.22 0.02 . 2 . . . . . GLU HG2 . 6518 1 188 . 1 1 17 17 GLU HG3 H 1 2.32 0.02 . 2 . . . . . GLU HG3 . 6518 1 189 . 1 1 17 17 GLU C C 13 175.6 0.2 . 1 . . . . . GLU C . 6518 1 190 . 1 1 17 17 GLU CA C 13 55.9 0.2 . 1 . . . . . GLU CA . 6518 1 191 . 1 1 17 17 GLU CB C 13 31.2 0.2 . 1 . . . . . GLU CB . 6518 1 192 . 1 1 17 17 GLU CG C 13 38.2 0.2 . 1 . . . . . GLU CG . 6518 1 193 . 1 1 17 17 GLU N N 15 117.9 0.2 . 1 . . . . . GLU N . 6518 1 194 . 1 1 18 18 GLY H H 1 8.23 0.02 . 1 . . . . . GLY H . 6518 1 195 . 1 1 18 18 GLY HA2 H 1 3.44 0.02 . 2 . . . . . GLY HA2 . 6518 1 196 . 1 1 18 18 GLY HA3 H 1 4.17 0.02 . 2 . . . . . GLY HA3 . 6518 1 197 . 1 1 18 18 GLY C C 13 174.2 0.2 . 1 . . . . . GLY C . 6518 1 198 . 1 1 18 18 GLY CA C 13 46.0 0.2 . 1 . . . . . GLY CA . 6518 1 199 . 1 1 18 18 GLY N N 15 108.2 0.2 . 1 . . . . . GLY N . 6518 1 200 . 1 1 19 19 TYR H H 1 8.64 0.02 . 1 . . . . . TYR H . 6518 1 201 . 1 1 19 19 TYR HA H 1 4.43 0.02 . 1 . . . . . TYR HA . 6518 1 202 . 1 1 19 19 TYR HB2 H 1 2.89 0.02 . 2 . . . . . TYR HB2 . 6518 1 203 . 1 1 19 19 TYR HB3 H 1 3.27 0.02 . 2 . . . . . TYR HB3 . 6518 1 204 . 1 1 19 19 TYR HD1 H 1 7.45 0.02 . 3 . . . . . TYR HD1 . 6518 1 205 . 1 1 19 19 TYR HE1 H 1 6.56 0.02 . 3 . . . . . TYR HE1 . 6518 1 206 . 1 1 19 19 TYR C C 13 176.7 0.2 . 1 . . . . . TYR C . 6518 1 207 . 1 1 19 19 TYR CA C 13 57.8 0.2 . 1 . . . . . TYR CA . 6518 1 208 . 1 1 19 19 TYR CB C 13 38.1 0.2 . 1 . . . . . TYR CB . 6518 1 209 . 1 1 19 19 TYR CD1 C 13 134.7 0.2 . 3 . . . . . TYR CD1 . 6518 1 210 . 1 1 19 19 TYR CE1 C 13 117.7 0.2 . 3 . . . . . TYR CE1 . 6518 1 211 . 1 1 19 19 TYR N N 15 121.8 0.2 . 1 . . . . . TYR N . 6518 1 212 . 1 1 20 20 LEU H H 1 9.23 0.02 . 1 . . . . . LEU H . 6518 1 213 . 1 1 20 20 LEU HA H 1 4.26 0.02 . 1 . . . . . LEU HA . 6518 1 214 . 1 1 20 20 LEU HB2 H 1 1.43 0.02 . 2 . . . . . LEU HB2 . 6518 1 215 . 1 1 20 20 LEU HB3 H 1 1.78 0.02 . 2 . . . . . LEU HB3 . 6518 1 216 . 1 1 20 20 LEU HG H 1 1.96 0.02 . 1 . . . . . LEU HG . 6518 1 217 . 1 1 20 20 LEU HD11 H 1 1.17 0.02 . 1 . . . . . LEU HD1 . 6518 1 218 . 1 1 20 20 LEU HD12 H 1 1.17 0.02 . 1 . . . . . LEU HD1 . 6518 1 219 . 1 1 20 20 LEU HD13 H 1 1.17 0.02 . 1 . . . . . LEU HD1 . 6518 1 220 . 1 1 20 20 LEU HD21 H 1 1.05 0.02 . 1 . . . . . LEU HD2 . 6518 1 221 . 1 1 20 20 LEU HD22 H 1 1.05 0.02 . 1 . . . . . LEU HD2 . 6518 1 222 . 1 1 20 20 LEU HD23 H 1 1.05 0.02 . 1 . . . . . LEU HD2 . 6518 1 223 . 1 1 20 20 LEU C C 13 178.2 0.2 . 1 . . . . . LEU C . 6518 1 224 . 1 1 20 20 LEU CA C 13 56.1 0.2 . 1 . . . . . LEU CA . 6518 1 225 . 1 1 20 20 LEU CB C 13 42.4 0.2 . 1 . . . . . LEU CB . 6518 1 226 . 1 1 20 20 LEU CG C 13 27.2 0.2 . 1 . . . . . LEU CG . 6518 1 227 . 1 1 20 20 LEU CD1 C 13 26.3 0.2 . 1 . . . . . LEU CD1 . 6518 1 228 . 1 1 20 20 LEU CD2 C 13 25.0 0.2 . 1 . . . . . LEU CD2 . 6518 1 229 . 1 1 20 20 LEU N N 15 121.5 0.2 . 1 . . . . . LEU N . 6518 1 230 . 1 1 21 21 SER H H 1 8.25 0.02 . 1 . . . . . SER H . 6518 1 231 . 1 1 21 21 SER HA H 1 4.29 0.02 . 1 . . . . . SER HA . 6518 1 232 . 1 1 21 21 SER HB2 H 1 3.57 0.02 . 2 . . . . . SER HB2 . 6518 1 233 . 1 1 21 21 SER HB3 H 1 3.79 0.02 . 2 . . . . . SER HB3 . 6518 1 234 . 1 1 21 21 SER C C 13 174.7 0.2 . 1 . . . . . SER C . 6518 1 235 . 1 1 21 21 SER CA C 13 61.5 0.2 . 1 . . . . . SER CA . 6518 1 236 . 1 1 21 21 SER CB C 13 63.5 0.2 . 1 . . . . . SER CB . 6518 1 237 . 1 1 21 21 SER N N 15 120.6 0.2 . 1 . . . . . SER N . 6518 1 238 . 1 1 22 22 ASN H H 1 9.32 0.02 . 1 . . . . . ASN H . 6518 1 239 . 1 1 22 22 ASN HA H 1 5.01 0.02 . 1 . . . . . ASN HA . 6518 1 240 . 1 1 22 22 ASN HB2 H 1 2.74 0.02 . 2 . . . . . ASN HB2 . 6518 1 241 . 1 1 22 22 ASN HB3 H 1 3.03 0.02 . 2 . . . . . ASN HB3 . 6518 1 242 . 1 1 22 22 ASN HD21 H 1 7.06 0.02 . 2 . . . . . ASN HD21 . 6518 1 243 . 1 1 22 22 ASN HD22 H 1 7.57 0.02 . 2 . . . . . ASN HD22 . 6518 1 244 . 1 1 22 22 ASN C C 13 175.2 0.2 . 1 . . . . . ASN C . 6518 1 245 . 1 1 22 22 ASN CA C 13 51.6 0.2 . 1 . . . . . ASN CA . 6518 1 246 . 1 1 22 22 ASN CB C 13 38.9 0.2 . 1 . . . . . ASN CB . 6518 1 247 . 1 1 22 22 ASN CG C 13 177.7 0.2 . 1 . . . . . ASN CG . 6518 1 248 . 1 1 22 22 ASN N N 15 120.4 0.2 . 1 . . . . . ASN N . 6518 1 249 . 1 1 22 22 ASN ND2 N 15 113.5 0.2 . 1 . . . . . ASN ND2 . 6518 1 250 . 1 1 23 23 LEU H H 1 8.51 0.02 . 1 . . . . . LEU H . 6518 1 251 . 1 1 23 23 LEU HA H 1 4.12 0.02 . 1 . . . . . LEU HA . 6518 1 252 . 1 1 23 23 LEU HB2 H 1 1.65 0.02 . 2 . . . . . LEU HB2 . 6518 1 253 . 1 1 23 23 LEU HB3 H 1 1.76 0.02 . 2 . . . . . LEU HB3 . 6518 1 254 . 1 1 23 23 LEU HG H 1 1.74 0.02 . 1 . . . . . LEU HG . 6518 1 255 . 1 1 23 23 LEU HD11 H 1 0.82 0.02 . 1 . . . . . LEU HD1 . 6518 1 256 . 1 1 23 23 LEU HD12 H 1 0.82 0.02 . 1 . . . . . LEU HD1 . 6518 1 257 . 1 1 23 23 LEU HD13 H 1 0.82 0.02 . 1 . . . . . LEU HD1 . 6518 1 258 . 1 1 23 23 LEU HD21 H 1 0.80 0.02 . 1 . . . . . LEU HD2 . 6518 1 259 . 1 1 23 23 LEU HD22 H 1 0.80 0.02 . 1 . . . . . LEU HD2 . 6518 1 260 . 1 1 23 23 LEU HD23 H 1 0.80 0.02 . 1 . . . . . LEU HD2 . 6518 1 261 . 1 1 23 23 LEU C C 13 179.9 0.2 . 1 . . . . . LEU C . 6518 1 262 . 1 1 23 23 LEU CA C 13 58.5 0.2 . 1 . . . . . LEU CA . 6518 1 263 . 1 1 23 23 LEU CB C 13 41.9 0.2 . 1 . . . . . LEU CB . 6518 1 264 . 1 1 23 23 LEU CG C 13 27.0 0.2 . 1 . . . . . LEU CG . 6518 1 265 . 1 1 23 23 LEU CD1 C 13 26.0 0.2 . 1 . . . . . LEU CD1 . 6518 1 266 . 1 1 23 23 LEU CD2 C 13 24.3 0.2 . 1 . . . . . LEU CD2 . 6518 1 267 . 1 1 23 23 LEU N N 15 125.2 0.2 . 1 . . . . . LEU N . 6518 1 268 . 1 1 24 24 ASN H H 1 8.50 0.02 . 1 . . . . . ASN H . 6518 1 269 . 1 1 24 24 ASN HA H 1 4.68 0.02 . 1 . . . . . ASN HA . 6518 1 270 . 1 1 24 24 ASN HB2 H 1 2.85 0.02 . 2 . . . . . ASN HB2 . 6518 1 271 . 1 1 24 24 ASN HB3 H 1 2.97 0.02 . 2 . . . . . ASN HB3 . 6518 1 272 . 1 1 24 24 ASN HD21 H 1 7.08 0.02 . 2 . . . . . ASN HD21 . 6518 1 273 . 1 1 24 24 ASN HD22 H 1 7.74 0.02 . 2 . . . . . ASN HD22 . 6518 1 274 . 1 1 24 24 ASN C C 13 175.8 0.2 . 1 . . . . . ASN C . 6518 1 275 . 1 1 24 24 ASN CA C 13 55.0 0.2 . 1 . . . . . ASN CA . 6518 1 276 . 1 1 24 24 ASN CB C 13 38.3 0.2 . 1 . . . . . ASN CB . 6518 1 277 . 1 1 24 24 ASN CG C 13 177.0 0.2 . 1 . . . . . ASN CG . 6518 1 278 . 1 1 24 24 ASN N N 15 115.1 0.2 . 1 . . . . . ASN N . 6518 1 279 . 1 1 24 24 ASN ND2 N 15 113.9 0.2 . 1 . . . . . ASN ND2 . 6518 1 280 . 1 1 25 25 ASP H H 1 7.99 0.02 . 1 . . . . . ASP H . 6518 1 281 . 1 1 25 25 ASP HA H 1 4.59 0.02 . 1 . . . . . ASP HA . 6518 1 282 . 1 1 25 25 ASP HB2 H 1 2.42 0.02 . 2 . . . . . ASP HB2 . 6518 1 283 . 1 1 25 25 ASP HB3 H 1 2.90 0.02 . 2 . . . . . ASP HB3 . 6518 1 284 . 1 1 25 25 ASP C C 13 176.0 0.2 . 1 . . . . . ASP C . 6518 1 285 . 1 1 25 25 ASP CA C 13 55.3 0.2 . 1 . . . . . ASP CA . 6518 1 286 . 1 1 25 25 ASP CB C 13 41.5 0.2 . 1 . . . . . ASP CB . 6518 1 287 . 1 1 25 25 ASP N N 15 119.1 0.2 . 1 . . . . . ASP N . 6518 1 288 . 1 1 26 26 TRP H H 1 7.12 0.02 . 1 . . . . . TRP H . 6518 1 289 . 1 1 26 26 TRP HA H 1 3.56 0.02 . 1 . . . . . TRP HA . 6518 1 290 . 1 1 26 26 TRP HB2 H 1 3.10 0.02 . 2 . . . . . TRP HB2 . 6518 1 291 . 1 1 26 26 TRP HB3 H 1 3.26 0.02 . 2 . . . . . TRP HB3 . 6518 1 292 . 1 1 26 26 TRP HD1 H 1 6.72 0.02 . 1 . . . . . TRP HD1 . 6518 1 293 . 1 1 26 26 TRP HE1 H 1 10.83 0.02 . 1 . . . . . TRP HE1 . 6518 1 294 . 1 1 26 26 TRP HE3 H 1 7.33 0.02 . 1 . . . . . TRP HE3 . 6518 1 295 . 1 1 26 26 TRP HZ2 H 1 7.48 0.02 . 1 . . . . . TRP HZ2 . 6518 1 296 . 1 1 26 26 TRP HZ3 H 1 7.19 0.02 . 1 . . . . . TRP HZ3 . 6518 1 297 . 1 1 26 26 TRP HH2 H 1 7.64 0.02 . 1 . . . . . TRP HH2 . 6518 1 298 . 1 1 26 26 TRP C C 13 175.5 0.2 . 1 . . . . . TRP C . 6518 1 299 . 1 1 26 26 TRP CA C 13 63.7 0.2 . 1 . . . . . TRP CA . 6518 1 300 . 1 1 26 26 TRP CB C 13 30.1 0.2 . 1 . . . . . TRP CB . 6518 1 301 . 1 1 26 26 TRP CD1 C 13 125.6 0.2 . 1 . . . . . TRP CD1 . 6518 1 302 . 1 1 26 26 TRP CE3 C 13 120.1 0.2 . 1 . . . . . TRP CE3 . 6518 1 303 . 1 1 26 26 TRP CZ2 C 13 112.9 0.2 . 1 . . . . . TRP CZ2 . 6518 1 304 . 1 1 26 26 TRP CZ3 C 13 122.4 0.2 . 1 . . . . . TRP CZ3 . 6518 1 305 . 1 1 26 26 TRP CH2 C 13 124.5 0.2 . 1 . . . . . TRP CH2 . 6518 1 306 . 1 1 26 26 TRP N N 15 116.5 0.2 . 1 . . . . . TRP N . 6518 1 307 . 1 1 26 26 TRP NE1 N 15 130.0 0.2 . 1 . . . . . TRP NE1 . 6518 1 308 . 1 1 27 27 VAL H H 1 6.10 0.02 . 1 . . . . . VAL H . 6518 1 309 . 1 1 27 27 VAL HA H 1 4.22 0.02 . 1 . . . . . VAL HA . 6518 1 310 . 1 1 27 27 VAL HB H 1 2.20 0.02 . 1 . . . . . VAL HB . 6518 1 311 . 1 1 27 27 VAL HG11 H 1 1.07 0.02 . 1 . . . . . VAL HG1 . 6518 1 312 . 1 1 27 27 VAL HG12 H 1 1.07 0.02 . 1 . . . . . VAL HG1 . 6518 1 313 . 1 1 27 27 VAL HG13 H 1 1.07 0.02 . 1 . . . . . VAL HG1 . 6518 1 314 . 1 1 27 27 VAL HG21 H 1 0.70 0.02 . 1 . . . . . VAL HG2 . 6518 1 315 . 1 1 27 27 VAL HG22 H 1 0.70 0.02 . 1 . . . . . VAL HG2 . 6518 1 316 . 1 1 27 27 VAL HG23 H 1 0.70 0.02 . 1 . . . . . VAL HG2 . 6518 1 317 . 1 1 27 27 VAL CA C 13 58.5 0.2 . 1 . . . . . VAL CA . 6518 1 318 . 1 1 27 27 VAL CB C 13 33.4 0.2 . 1 . . . . . VAL CB . 6518 1 319 . 1 1 27 27 VAL CG1 C 13 23.0 0.2 . 1 . . . . . VAL CG1 . 6518 1 320 . 1 1 27 27 VAL CG2 C 13 18.2 0.2 . 1 . . . . . VAL CG2 . 6518 1 321 . 1 1 27 27 VAL N N 15 118.8 0.2 . 1 . . . . . VAL N . 6518 1 322 . 1 1 28 28 PRO HA H 1 3.82 0.02 . 1 . . . . . PRO HA . 6518 1 323 . 1 1 28 28 PRO HB2 H 1 1.73 0.02 . 2 . . . . . PRO HB2 . 6518 1 324 . 1 1 28 28 PRO HB3 H 1 2.25 0.02 . 2 . . . . . PRO HB3 . 6518 1 325 . 1 1 28 28 PRO HG2 H 1 1.99 0.02 . 2 . . . . . PRO HG2 . 6518 1 326 . 1 1 28 28 PRO HG3 H 1 2.02 0.02 . 2 . . . . . PRO HG3 . 6518 1 327 . 1 1 28 28 PRO HD2 H 1 3.45 0.02 . 2 . . . . . PRO HD2 . 6518 1 328 . 1 1 28 28 PRO HD3 H 1 3.53 0.02 . 2 . . . . . PRO HD3 . 6518 1 329 . 1 1 28 28 PRO C C 13 177.6 0.2 . 1 . . . . . PRO C . 6518 1 330 . 1 1 28 28 PRO CA C 13 66.0 0.2 . 1 . . . . . PRO CA . 6518 1 331 . 1 1 28 28 PRO CB C 13 31.7 0.2 . 1 . . . . . PRO CB . 6518 1 332 . 1 1 28 28 PRO CD C 13 49.7 0.2 . 1 . . . . . PRO CD . 6518 1 333 . 1 1 29 29 GLY H H 1 8.40 0.02 . 1 . . . . . GLY H . 6518 1 334 . 1 1 29 29 GLY HA2 H 1 3.62 0.02 . 2 . . . . . GLY HA2 . 6518 1 335 . 1 1 29 29 GLY HA3 H 1 4.05 0.02 . 2 . . . . . GLY HA3 . 6518 1 336 . 1 1 29 29 GLY C C 13 176.2 0.2 . 1 . . . . . GLY C . 6518 1 337 . 1 1 29 29 GLY CA C 13 47.1 0.2 . 1 . . . . . GLY CA . 6518 1 338 . 1 1 29 29 GLY N N 15 101.5 0.2 . 1 . . . . . GLY N . 6518 1 339 . 1 1 30 30 VAL H H 1 8.07 0.02 . 1 . . . . . VAL H . 6518 1 340 . 1 1 30 30 VAL HA H 1 3.32 0.02 . 1 . . . . . VAL HA . 6518 1 341 . 1 1 30 30 VAL HB H 1 1.96 0.02 . 1 . . . . . VAL HB . 6518 1 342 . 1 1 30 30 VAL HG11 H 1 1.12 0.02 . 1 . . . . . VAL HG1 . 6518 1 343 . 1 1 30 30 VAL HG12 H 1 1.12 0.02 . 1 . . . . . VAL HG1 . 6518 1 344 . 1 1 30 30 VAL HG13 H 1 1.12 0.02 . 1 . . . . . VAL HG1 . 6518 1 345 . 1 1 30 30 VAL HG21 H 1 0.72 0.02 . 1 . . . . . VAL HG2 . 6518 1 346 . 1 1 30 30 VAL HG22 H 1 0.72 0.02 . 1 . . . . . VAL HG2 . 6518 1 347 . 1 1 30 30 VAL HG23 H 1 0.72 0.02 . 1 . . . . . VAL HG2 . 6518 1 348 . 1 1 30 30 VAL C C 13 177.1 0.2 . 1 . . . . . VAL C . 6518 1 349 . 1 1 30 30 VAL CA C 13 66.3 0.2 . 1 . . . . . VAL CA . 6518 1 350 . 1 1 30 30 VAL CB C 13 31.5 0.2 . 1 . . . . . VAL CB . 6518 1 351 . 1 1 30 30 VAL CG1 C 13 21.8 0.2 . 1 . . . . . VAL CG1 . 6518 1 352 . 1 1 30 30 VAL CG2 C 13 24.3 0.2 . 1 . . . . . VAL CG2 . 6518 1 353 . 1 1 30 30 VAL N N 15 120.6 0.2 . 1 . . . . . VAL N . 6518 1 354 . 1 1 31 31 ALA H H 1 7.21 0.02 . 1 . . . . . ALA H . 6518 1 355 . 1 1 31 31 ALA HA H 1 3.98 0.02 . 1 . . . . . ALA HA . 6518 1 356 . 1 1 31 31 ALA HB1 H 1 1.56 0.02 . 1 . . . . . ALA HB . 6518 1 357 . 1 1 31 31 ALA HB2 H 1 1.56 0.02 . 1 . . . . . ALA HB . 6518 1 358 . 1 1 31 31 ALA HB3 H 1 1.56 0.02 . 1 . . . . . ALA HB . 6518 1 359 . 1 1 31 31 ALA C C 13 178.6 0.2 . 1 . . . . . ALA C . 6518 1 360 . 1 1 31 31 ALA CA C 13 55.9 0.2 . 1 . . . . . ALA CA . 6518 1 361 . 1 1 31 31 ALA CB C 13 18.9 0.2 . 1 . . . . . ALA CB . 6518 1 362 . 1 1 31 31 ALA N N 15 120.5 0.2 . 1 . . . . . ALA N . 6518 1 363 . 1 1 32 32 ASP H H 1 7.01 0.02 . 1 . . . . . ASP H . 6518 1 364 . 1 1 32 32 ASP HA H 1 4.25 0.02 . 1 . . . . . ASP HA . 6518 1 365 . 1 1 32 32 ASP HB2 H 1 2.67 0.02 . 2 . . . . . ASP HB2 . 6518 1 366 . 1 1 32 32 ASP HB3 H 1 2.73 0.02 . 2 . . . . . ASP HB3 . 6518 1 367 . 1 1 32 32 ASP C C 13 179.1 0.2 . 1 . . . . . ASP C . 6518 1 368 . 1 1 32 32 ASP CA C 13 58.1 0.2 . 1 . . . . . ASP CA . 6518 1 369 . 1 1 32 32 ASP CB C 13 41.6 0.2 . 1 . . . . . ASP CB . 6518 1 370 . 1 1 32 32 ASP N N 15 114.3 0.2 . 1 . . . . . ASP N . 6518 1 371 . 1 1 33 33 VAL H H 1 7.70 0.02 . 1 . . . . . VAL H . 6518 1 372 . 1 1 33 33 VAL HA H 1 3.69 0.02 . 1 . . . . . VAL HA . 6518 1 373 . 1 1 33 33 VAL HB H 1 2.05 0.02 . 1 . . . . . VAL HB . 6518 1 374 . 1 1 33 33 VAL HG11 H 1 1.02 0.02 . 1 . . . . . VAL HG1 . 6518 1 375 . 1 1 33 33 VAL HG12 H 1 1.02 0.02 . 1 . . . . . VAL HG1 . 6518 1 376 . 1 1 33 33 VAL HG13 H 1 1.02 0.02 . 1 . . . . . VAL HG1 . 6518 1 377 . 1 1 33 33 VAL HG21 H 1 1.23 0.02 . 1 . . . . . VAL HG2 . 6518 1 378 . 1 1 33 33 VAL HG22 H 1 1.23 0.02 . 1 . . . . . VAL HG2 . 6518 1 379 . 1 1 33 33 VAL HG23 H 1 1.23 0.02 . 1 . . . . . VAL HG2 . 6518 1 380 . 1 1 33 33 VAL C C 13 179.1 0.2 . 1 . . . . . VAL C . 6518 1 381 . 1 1 33 33 VAL CA C 13 66.8 0.2 . 1 . . . . . VAL CA . 6518 1 382 . 1 1 33 33 VAL CB C 13 32.1 0.2 . 1 . . . . . VAL CB . 6518 1 383 . 1 1 33 33 VAL CG1 C 13 21.4 0.2 . 1 . . . . . VAL CG1 . 6518 1 384 . 1 1 33 33 VAL CG2 C 13 23.7 0.2 . 1 . . . . . VAL CG2 . 6518 1 385 . 1 1 33 33 VAL N N 15 120.2 0.2 . 1 . . . . . VAL N . 6518 1 386 . 1 1 34 34 MET H H 1 8.34 0.02 . 1 . . . . . MET H . 6518 1 387 . 1 1 34 34 MET HA H 1 3.97 0.02 . 1 . . . . . MET HA . 6518 1 388 . 1 1 34 34 MET HB2 H 1 2.31 0.02 . 2 . . . . . MET HB2 . 6518 1 389 . 1 1 34 34 MET HB3 H 1 2.84 0.02 . 2 . . . . . MET HB3 . 6518 1 390 . 1 1 34 34 MET HG2 H 1 1.72 0.02 . 2 . . . . . MET HG2 . 6518 1 391 . 1 1 34 34 MET HG3 H 1 1.96 0.02 . 2 . . . . . MET HG3 . 6518 1 392 . 1 1 34 34 MET HE1 H 1 2.02 0.02 . 1 . . . . . MET HE . 6518 1 393 . 1 1 34 34 MET HE2 H 1 2.02 0.02 . 1 . . . . . MET HE . 6518 1 394 . 1 1 34 34 MET HE3 H 1 2.02 0.02 . 1 . . . . . MET HE . 6518 1 395 . 1 1 34 34 MET C C 13 177.9 0.2 . 1 . . . . . MET C . 6518 1 396 . 1 1 34 34 MET CA C 13 59.8 0.2 . 1 . . . . . MET CA . 6518 1 397 . 1 1 34 34 MET CB C 13 33.7 0.2 . 1 . . . . . MET CB . 6518 1 398 . 1 1 34 34 MET CG C 13 33.9 0.2 . 1 . . . . . MET CG . 6518 1 399 . 1 1 34 34 MET CE C 13 17.4 0.2 . 1 . . . . . MET CE . 6518 1 400 . 1 1 34 34 MET N N 15 120.9 0.2 . 1 . . . . . MET N . 6518 1 401 . 1 1 35 35 ALA H H 1 8.28 0.02 . 1 . . . . . ALA H . 6518 1 402 . 1 1 35 35 ALA HA H 1 3.68 0.02 . 1 . . . . . ALA HA . 6518 1 403 . 1 1 35 35 ALA HB1 H 1 0.96 0.02 . 1 . . . . . ALA HB . 6518 1 404 . 1 1 35 35 ALA HB2 H 1 0.96 0.02 . 1 . . . . . ALA HB . 6518 1 405 . 1 1 35 35 ALA HB3 H 1 0.96 0.02 . 1 . . . . . ALA HB . 6518 1 406 . 1 1 35 35 ALA C C 13 180.2 0.2 . 1 . . . . . ALA C . 6518 1 407 . 1 1 35 35 ALA CA C 13 55.6 0.2 . 1 . . . . . ALA CA . 6518 1 408 . 1 1 35 35 ALA CB C 13 17.1 0.2 . 1 . . . . . ALA CB . 6518 1 409 . 1 1 35 35 ALA N N 15 121.4 0.2 . 1 . . . . . ALA N . 6518 1 410 . 1 1 36 36 LYS H H 1 7.57 0.02 . 1 . . . . . LYS H . 6518 1 411 . 1 1 36 36 LYS HA H 1 4.14 0.02 . 1 . . . . . LYS HA . 6518 1 412 . 1 1 36 36 LYS HB2 H 1 1.94 0.02 . 2 . . . . . LYS HB2 . 6518 1 413 . 1 1 36 36 LYS HB3 H 1 2.04 0.02 . 2 . . . . . LYS HB3 . 6518 1 414 . 1 1 36 36 LYS HG2 H 1 1.53 0.02 . 2 . . . . . LYS HG2 . 6518 1 415 . 1 1 36 36 LYS HG3 H 1 1.65 0.02 . 2 . . . . . LYS HG3 . 6518 1 416 . 1 1 36 36 LYS HD2 H 1 1.76 0.02 . 2 . . . . . LYS HD2 . 6518 1 417 . 1 1 36 36 LYS HD3 H 1 2.19 0.02 . 2 . . . . . LYS HD3 . 6518 1 418 . 1 1 36 36 LYS HE2 H 1 3.04 0.02 . 2 . . . . . LYS HE2 . 6518 1 419 . 1 1 36 36 LYS HE3 H 1 3.06 0.02 . 2 . . . . . LYS HE3 . 6518 1 420 . 1 1 36 36 LYS C C 13 181.3 0.2 . 1 . . . . . LYS C . 6518 1 421 . 1 1 36 36 LYS CA C 13 59.5 0.2 . 1 . . . . . LYS CA . 6518 1 422 . 1 1 36 36 LYS CB C 13 32.2 0.2 . 1 . . . . . LYS CB . 6518 1 423 . 1 1 36 36 LYS CG C 13 25.3 0.2 . 1 . . . . . LYS CG . 6518 1 424 . 1 1 36 36 LYS CD C 13 29.2 0.2 . 1 . . . . . LYS CD . 6518 1 425 . 1 1 36 36 LYS CE C 13 42.5 0.2 . 1 . . . . . LYS CE . 6518 1 426 . 1 1 36 36 LYS N N 15 118.3 0.2 . 1 . . . . . LYS N . 6518 1 427 . 1 1 37 37 GLN H H 1 7.66 0.02 . 1 . . . . . GLN H . 6518 1 428 . 1 1 37 37 GLN HA H 1 4.12 0.02 . 1 . . . . . GLN HA . 6518 1 429 . 1 1 37 37 GLN HB2 H 1 2.12 0.02 . 2 . . . . . GLN HB2 . 6518 1 430 . 1 1 37 37 GLN HB3 H 1 2.63 0.02 . 2 . . . . . GLN HB3 . 6518 1 431 . 1 1 37 37 GLN HG2 H 1 2.51 0.02 . 2 . . . . . GLN HG2 . 6518 1 432 . 1 1 37 37 GLN HG3 H 1 2.82 0.02 . 2 . . . . . GLN HG3 . 6518 1 433 . 1 1 37 37 GLN HE21 H 1 6.78 0.02 . 2 . . . . . GLN HE21 . 6518 1 434 . 1 1 37 37 GLN HE22 H 1 7.70 0.02 . 2 . . . . . GLN HE22 . 6518 1 435 . 1 1 37 37 GLN C C 13 177.7 0.2 . 1 . . . . . GLN C . 6518 1 436 . 1 1 37 37 GLN CA C 13 58.7 0.2 . 1 . . . . . GLN CA . 6518 1 437 . 1 1 37 37 GLN CB C 13 27.9 0.2 . 1 . . . . . GLN CB . 6518 1 438 . 1 1 37 37 GLN CG C 13 33.2 0.2 . 1 . . . . . GLN CG . 6518 1 439 . 1 1 37 37 GLN CD C 13 180.0 0.2 . 1 . . . . . GLN CD . 6518 1 440 . 1 1 37 37 GLN N N 15 119.7 0.2 . 1 . . . . . GLN N . 6518 1 441 . 1 1 37 37 GLN NE2 N 15 110.5 0.2 . 1 . . . . . GLN NE2 . 6518 1 442 . 1 1 38 38 ASP H H 1 7.33 0.02 . 1 . . . . . ASP H . 6518 1 443 . 1 1 38 38 ASP HA H 1 4.83 0.02 . 1 . . . . . ASP HA . 6518 1 444 . 1 1 38 38 ASP HB2 H 1 2.68 0.02 . 2 . . . . . ASP HB2 . 6518 1 445 . 1 1 38 38 ASP HB3 H 1 2.91 0.02 . 2 . . . . . ASP HB3 . 6518 1 446 . 1 1 38 38 ASP C C 13 175.0 0.2 . 1 . . . . . ASP C . 6518 1 447 . 1 1 38 38 ASP CA C 13 54.1 0.2 . 1 . . . . . ASP CA . 6518 1 448 . 1 1 38 38 ASP CB C 13 40.9 0.2 . 1 . . . . . ASP CB . 6518 1 449 . 1 1 38 38 ASP N N 15 118.1 0.2 . 1 . . . . . ASP N . 6518 1 450 . 1 1 39 39 ASN H H 1 8.00 0.02 . 1 . . . . . ASN H . 6518 1 451 . 1 1 39 39 ASN HA H 1 4.34 0.02 . 1 . . . . . ASN HA . 6518 1 452 . 1 1 39 39 ASN HB2 H 1 2.84 0.02 . 2 . . . . . ASN HB2 . 6518 1 453 . 1 1 39 39 ASN HB3 H 1 3.15 0.02 . 2 . . . . . ASN HB3 . 6518 1 454 . 1 1 39 39 ASN HD21 H 1 6.88 0.02 . 2 . . . . . ASN HD21 . 6518 1 455 . 1 1 39 39 ASN HD22 H 1 7.56 0.02 . 2 . . . . . ASN HD22 . 6518 1 456 . 1 1 39 39 ASN C C 13 173.3 0.2 . 1 . . . . . ASN C . 6518 1 457 . 1 1 39 39 ASN CA C 13 54.4 0.2 . 1 . . . . . ASN CA . 6518 1 458 . 1 1 39 39 ASN CB C 13 37.5 0.2 . 1 . . . . . ASN CB . 6518 1 459 . 1 1 39 39 ASN CG C 13 178.6 0.2 . 1 . . . . . ASN CG . 6518 1 460 . 1 1 39 39 ASN N N 15 116.1 0.2 . 1 . . . . . ASN N . 6518 1 461 . 1 1 39 39 ASN ND2 N 15 112.7 0.2 . 1 . . . . . ASN ND2 . 6518 1 462 . 1 1 40 40 LEU H H 1 8.21 0.02 . 1 . . . . . LEU H . 6518 1 463 . 1 1 40 40 LEU HA H 1 4.62 0.02 . 1 . . . . . LEU HA . 6518 1 464 . 1 1 40 40 LEU HB2 H 1 1.31 0.02 . 2 . . . . . LEU HB2 . 6518 1 465 . 1 1 40 40 LEU HB3 H 1 1.43 0.02 . 2 . . . . . LEU HB3 . 6518 1 466 . 1 1 40 40 LEU HG H 1 1.28 0.02 . 1 . . . . . LEU HG . 6518 1 467 . 1 1 40 40 LEU HD11 H 1 0.99 0.02 . 1 . . . . . LEU HD1 . 6518 1 468 . 1 1 40 40 LEU HD12 H 1 0.99 0.02 . 1 . . . . . LEU HD1 . 6518 1 469 . 1 1 40 40 LEU HD13 H 1 0.99 0.02 . 1 . . . . . LEU HD1 . 6518 1 470 . 1 1 40 40 LEU HD21 H 1 0.86 0.02 . 1 . . . . . LEU HD2 . 6518 1 471 . 1 1 40 40 LEU HD22 H 1 0.86 0.02 . 1 . . . . . LEU HD2 . 6518 1 472 . 1 1 40 40 LEU HD23 H 1 0.86 0.02 . 1 . . . . . LEU HD2 . 6518 1 473 . 1 1 40 40 LEU C C 13 175.1 0.2 . 1 . . . . . LEU C . 6518 1 474 . 1 1 40 40 LEU CA C 13 53.9 0.2 . 1 . . . . . LEU CA . 6518 1 475 . 1 1 40 40 LEU CB C 13 46.3 0.2 . 1 . . . . . LEU CB . 6518 1 476 . 1 1 40 40 LEU CG C 13 27.0 0.2 . 1 . . . . . LEU CG . 6518 1 477 . 1 1 40 40 LEU CD1 C 13 24.5 0.2 . 1 . . . . . LEU CD1 . 6518 1 478 . 1 1 40 40 LEU CD2 C 13 25.3 0.2 . 1 . . . . . LEU CD2 . 6518 1 479 . 1 1 40 40 LEU N N 15 120.7 0.2 . 1 . . . . . LEU N . 6518 1 480 . 1 1 41 41 GLU H H 1 7.99 0.02 . 1 . . . . . GLU H . 6518 1 481 . 1 1 41 41 GLU HA H 1 4.24 0.02 . 1 . . . . . GLU HA . 6518 1 482 . 1 1 41 41 GLU HB2 H 1 2.06 0.02 . 2 . . . . . GLU HB2 . 6518 1 483 . 1 1 41 41 GLU HB3 H 1 2.18 0.02 . 2 . . . . . GLU HB3 . 6518 1 484 . 1 1 41 41 GLU HG2 H 1 1.81 0.02 . 2 . . . . . GLU HG2 . 6518 1 485 . 1 1 41 41 GLU HG3 H 1 1.87 0.02 . 2 . . . . . GLU HG3 . 6518 1 486 . 1 1 41 41 GLU C C 13 175.2 0.2 . 1 . . . . . GLU C . 6518 1 487 . 1 1 41 41 GLU CA C 13 55.1 0.2 . 1 . . . . . GLU CA . 6518 1 488 . 1 1 41 41 GLU CB C 13 30.7 0.2 . 1 . . . . . GLU CB . 6518 1 489 . 1 1 41 41 GLU CG C 13 36.3 0.2 . 1 . . . . . GLU CG . 6518 1 490 . 1 1 41 41 GLU N N 15 124.4 0.2 . 1 . . . . . GLU N . 6518 1 491 . 1 1 42 42 LEU H H 1 8.41 0.02 . 1 . . . . . LEU H . 6518 1 492 . 1 1 42 42 LEU HA H 1 3.56 0.02 . 1 . . . . . LEU HA . 6518 1 493 . 1 1 42 42 LEU HB2 H 1 0.81 0.02 . 2 . . . . . LEU HB2 . 6518 1 494 . 1 1 42 42 LEU HB3 H 1 1.95 0.02 . 2 . . . . . LEU HB3 . 6518 1 495 . 1 1 42 42 LEU HG H 1 1.21 0.02 . 1 . . . . . LEU HG . 6518 1 496 . 1 1 42 42 LEU HD11 H 1 0.26 0.02 . 1 . . . . . LEU HD1 . 6518 1 497 . 1 1 42 42 LEU HD12 H 1 0.26 0.02 . 1 . . . . . LEU HD1 . 6518 1 498 . 1 1 42 42 LEU HD13 H 1 0.26 0.02 . 1 . . . . . LEU HD1 . 6518 1 499 . 1 1 42 42 LEU HD21 H 1 0.15 0.02 . 1 . . . . . LEU HD2 . 6518 1 500 . 1 1 42 42 LEU HD22 H 1 0.15 0.02 . 1 . . . . . LEU HD2 . 6518 1 501 . 1 1 42 42 LEU HD23 H 1 0.15 0.02 . 1 . . . . . LEU HD2 . 6518 1 502 . 1 1 42 42 LEU C C 13 177.3 0.2 . 1 . . . . . LEU C . 6518 1 503 . 1 1 42 42 LEU CA C 13 55.0 0.2 . 1 . . . . . LEU CA . 6518 1 504 . 1 1 42 42 LEU CB C 13 41.7 0.2 . 1 . . . . . LEU CB . 6518 1 505 . 1 1 42 42 LEU CG C 13 25.7 0.2 . 1 . . . . . LEU CG . 6518 1 506 . 1 1 42 42 LEU CD1 C 13 25.5 0.2 . 1 . . . . . LEU CD1 . 6518 1 507 . 1 1 42 42 LEU CD2 C 13 21.9 0.2 . 1 . . . . . LEU CD2 . 6518 1 508 . 1 1 42 42 LEU N N 15 123.5 0.2 . 1 . . . . . LEU N . 6518 1 509 . 1 1 43 43 THR H H 1 9.41 0.02 . 1 . . . . . THR H . 6518 1 510 . 1 1 43 43 THR HA H 1 5.06 0.02 . 1 . . . . . THR HA . 6518 1 511 . 1 1 43 43 THR HB H 1 4.87 0.02 . 1 . . . . . THR HB . 6518 1 512 . 1 1 43 43 THR HG21 H 1 1.44 0.02 . 1 . . . . . THR HG2 . 6518 1 513 . 1 1 43 43 THR HG22 H 1 1.44 0.02 . 1 . . . . . THR HG2 . 6518 1 514 . 1 1 43 43 THR HG23 H 1 1.44 0.02 . 1 . . . . . THR HG2 . 6518 1 515 . 1 1 43 43 THR CA C 13 60.6 0.2 . 1 . . . . . THR CA . 6518 1 516 . 1 1 43 43 THR CB C 13 73.3 0.2 . 1 . . . . . THR CB . 6518 1 517 . 1 1 43 43 THR CG2 C 13 21.8 0.2 . 1 . . . . . THR CG2 . 6518 1 518 . 1 1 43 43 THR N N 15 119.3 0.2 . 1 . . . . . THR N . 6518 1 519 . 1 1 44 44 GLU HA H 1 4.41 0.02 . 1 . . . . . GLU HA . 6518 1 520 . 1 1 44 44 GLU HB2 H 1 2.23 0.02 . 2 . . . . . GLU HB2 . 6518 1 521 . 1 1 44 44 GLU HB3 H 1 2.29 0.02 . 2 . . . . . GLU HB3 . 6518 1 522 . 1 1 44 44 GLU HG2 H 1 2.48 0.02 . 2 . . . . . GLU HG2 . 6518 1 523 . 1 1 44 44 GLU HG3 H 1 2.55 0.02 . 2 . . . . . GLU HG3 . 6518 1 524 . 1 1 44 44 GLU C C 13 178.3 0.2 . 1 . . . . . GLU C . 6518 1 525 . 1 1 44 44 GLU CA C 13 60.6 0.2 . 1 . . . . . GLU CA . 6518 1 526 . 1 1 44 44 GLU CB C 13 29.4 0.2 . 1 . . . . . GLU CB . 6518 1 527 . 1 1 44 44 GLU CG C 13 36.8 0.2 . 1 . . . . . GLU CG . 6518 1 528 . 1 1 45 45 GLU H H 1 8.18 0.02 . 1 . . . . . GLU H . 6518 1 529 . 1 1 45 45 GLU HA H 1 4.28 0.02 . 1 . . . . . GLU HA . 6518 1 530 . 1 1 45 45 GLU HB2 H 1 1.76 0.02 . 2 . . . . . GLU HB2 . 6518 1 531 . 1 1 45 45 GLU HB3 H 1 2.08 0.02 . 2 . . . . . GLU HB3 . 6518 1 532 . 1 1 45 45 GLU HG2 H 1 2.42 0.02 . 2 . . . . . GLU HG2 . 6518 1 533 . 1 1 45 45 GLU HG3 H 1 2.49 0.02 . 2 . . . . . GLU HG3 . 6518 1 534 . 1 1 45 45 GLU C C 13 180.0 0.2 . 1 . . . . . GLU C . 6518 1 535 . 1 1 45 45 GLU CA C 13 60.0 0.2 . 1 . . . . . GLU CA . 6518 1 536 . 1 1 45 45 GLU CB C 13 30.2 0.2 . 1 . . . . . GLU CB . 6518 1 537 . 1 1 45 45 GLU CG C 13 38.5 0.2 . 1 . . . . . GLU CG . 6518 1 538 . 1 1 45 45 GLU N N 15 116.5 0.2 . 1 . . . . . GLU N . 6518 1 539 . 1 1 46 46 HIS H H 1 7.58 0.02 . 1 . . . . . HIS H . 6518 1 540 . 1 1 46 46 HIS HA H 1 4.06 0.02 . 1 . . . . . HIS HA . 6518 1 541 . 1 1 46 46 HIS HB2 H 1 2.80 0.02 . 2 . . . . . HIS HB2 . 6518 1 542 . 1 1 46 46 HIS HB3 H 1 3.30 0.02 . 2 . . . . . HIS HB3 . 6518 1 543 . 1 1 46 46 HIS HD2 H 1 5.63 0.02 . 1 . . . . . HIS HD2 . 6518 1 544 . 1 1 46 46 HIS CE1 C 13 139.5 0.02 . 1 . . . . . HIS CE1 . 6518 1 545 . 1 1 46 46 HIS HE1 H 1 7.82 0.02 . 1 . . . . . HIS HE1 . 6518 1 546 . 1 1 46 46 HIS HE2 H 1 11.55 0.02 . 1 . . . . . HIS HE2 . 6518 1 547 . 1 1 46 46 HIS C C 13 179.5 0.2 . 1 . . . . . HIS C . 6518 1 548 . 1 1 46 46 HIS CA C 13 62.7 0.2 . 1 . . . . . HIS CA . 6518 1 549 . 1 1 46 46 HIS CB C 13 32.1 0.2 . 1 . . . . . HIS CB . 6518 1 550 . 1 1 46 46 HIS CD2 C 13 118.3 0.2 . 1 . . . . . HIS CD2 . 6518 1 551 . 1 1 46 46 HIS N N 15 117.1 0.2 . 1 . . . . . HIS N . 6518 1 552 . 1 1 46 46 HIS NE2 N 15 170.0 0.2 . 1 . . . . . HIS NE2 . 6518 1 553 . 1 1 47 47 TRP H H 1 8.37 0.02 . 1 . . . . . TRP H . 6518 1 554 . 1 1 47 47 TRP HA H 1 4.51 0.02 . 1 . . . . . TRP HA . 6518 1 555 . 1 1 47 47 TRP HB2 H 1 3.41 0.02 . 2 . . . . . TRP HB2 . 6518 1 556 . 1 1 47 47 TRP HB3 H 1 3.52 0.02 . 2 . . . . . TRP HB3 . 6518 1 557 . 1 1 47 47 TRP HD1 H 1 7.12 0.02 . 1 . . . . . TRP HD1 . 6518 1 558 . 1 1 47 47 TRP HE1 H 1 10.36 0.02 . 1 . . . . . TRP HE1 . 6518 1 559 . 1 1 47 47 TRP HE3 H 1 7.81 0.02 . 1 . . . . . TRP HE3 . 6518 1 560 . 1 1 47 47 TRP HZ2 H 1 7.55 0.02 . 1 . . . . . TRP HZ2 . 6518 1 561 . 1 1 47 47 TRP HZ3 H 1 7.47 0.02 . 1 . . . . . TRP HZ3 . 6518 1 562 . 1 1 47 47 TRP HH2 H 1 7.75 0.02 . 1 . . . . . TRP HH2 . 6518 1 563 . 1 1 47 47 TRP C C 13 178.1 0.2 . 1 . . . . . TRP C . 6518 1 564 . 1 1 47 47 TRP CA C 13 61.7 0.2 . 1 . . . . . TRP CA . 6518 1 565 . 1 1 47 47 TRP CB C 13 29.1 0.2 . 1 . . . . . TRP CB . 6518 1 566 . 1 1 47 47 TRP CD1 C 13 127.0 0.2 . 1 . . . . . TRP CD1 . 6518 1 567 . 1 1 47 47 TRP CE3 C 13 120.3 0.2 . 1 . . . . . TRP CE3 . 6518 1 568 . 1 1 47 47 TRP CZ2 C 13 115.5 0.2 . 1 . . . . . TRP CZ2 . 6518 1 569 . 1 1 47 47 TRP CZ3 C 13 121.4 0.2 . 1 . . . . . TRP CZ3 . 6518 1 570 . 1 1 47 47 TRP CH2 C 13 125.2 0.2 . 1 . . . . . TRP CH2 . 6518 1 571 . 1 1 47 47 TRP N N 15 120.3 0.2 . 1 . . . . . TRP N . 6518 1 572 . 1 1 47 47 TRP NE1 N 15 129.5 0.2 . 1 . . . . . TRP NE1 . 6518 1 573 . 1 1 48 48 ASP H H 1 8.54 0.02 . 1 . . . . . ASP H . 6518 1 574 . 1 1 48 48 ASP HA H 1 4.80 0.02 . 1 . . . . . ASP HA . 6518 1 575 . 1 1 48 48 ASP HB2 H 1 2.65 0.02 . 2 . . . . . ASP HB2 . 6518 1 576 . 1 1 48 48 ASP HB3 H 1 2.94 0.02 . 2 . . . . . ASP HB3 . 6518 1 577 . 1 1 48 48 ASP C C 13 179.7 0.2 . 1 . . . . . ASP C . 6518 1 578 . 1 1 48 48 ASP CA C 13 57.9 0.2 . 1 . . . . . ASP CA . 6518 1 579 . 1 1 48 48 ASP CB C 13 40.4 0.2 . 1 . . . . . ASP CB . 6518 1 580 . 1 1 48 48 ASP N N 15 119.6 0.2 . 1 . . . . . ASP N . 6518 1 581 . 1 1 49 49 ILE H H 1 7.33 0.02 . 1 . . . . . ILE H . 6518 1 582 . 1 1 49 49 ILE HA H 1 4.03 0.02 . 1 . . . . . ILE HA . 6518 1 583 . 1 1 49 49 ILE HB H 1 2.57 0.02 . 1 . . . . . ILE HB . 6518 1 584 . 1 1 49 49 ILE HG12 H 1 1.51 0.02 . 2 . . . . . ILE HG12 . 6518 1 585 . 1 1 49 49 ILE HG13 H 1 2.03 0.02 . 2 . . . . . ILE HG13 . 6518 1 586 . 1 1 49 49 ILE HG21 H 1 0.84 0.02 . 1 . . . . . ILE HG2 . 6518 1 587 . 1 1 49 49 ILE HG22 H 1 0.84 0.02 . 1 . . . . . ILE HG2 . 6518 1 588 . 1 1 49 49 ILE HG23 H 1 0.84 0.02 . 1 . . . . . ILE HG2 . 6518 1 589 . 1 1 49 49 ILE HD11 H 1 0.80 0.02 . 1 . . . . . ILE HD1 . 6518 1 590 . 1 1 49 49 ILE HD12 H 1 0.80 0.02 . 1 . . . . . ILE HD1 . 6518 1 591 . 1 1 49 49 ILE HD13 H 1 0.80 0.02 . 1 . . . . . ILE HD1 . 6518 1 592 . 1 1 49 49 ILE C C 13 177.3 0.2 . 1 . . . . . ILE C . 6518 1 593 . 1 1 49 49 ILE CA C 13 62.8 0.2 . 1 . . . . . ILE CA . 6518 1 594 . 1 1 49 49 ILE CB C 13 35.7 0.2 . 1 . . . . . ILE CB . 6518 1 595 . 1 1 49 49 ILE CG1 C 13 28.2 0.2 . 1 . . . . . ILE CG1 . 6518 1 596 . 1 1 49 49 ILE CG2 C 13 17.2 0.2 . 1 . . . . . ILE CG2 . 6518 1 597 . 1 1 49 49 ILE CD1 C 13 10.0 0.2 . 1 . . . . . ILE CD1 . 6518 1 598 . 1 1 49 49 ILE N N 15 118.1 0.2 . 1 . . . . . ILE N . 6518 1 599 . 1 1 50 50 ILE H H 1 8.56 0.02 . 1 . . . . . ILE H . 6518 1 600 . 1 1 50 50 ILE HA H 1 3.51 0.02 . 1 . . . . . ILE HA . 6518 1 601 . 1 1 50 50 ILE HB H 1 1.99 0.02 . 1 . . . . . ILE HB . 6518 1 602 . 1 1 50 50 ILE HG12 H 1 0.99 0.02 . 2 . . . . . ILE HG12 . 6518 1 603 . 1 1 50 50 ILE HG13 H 1 1.89 0.02 . 2 . . . . . ILE HG13 . 6518 1 604 . 1 1 50 50 ILE HG21 H 1 0.99 0.02 . 1 . . . . . ILE HG2 . 6518 1 605 . 1 1 50 50 ILE HG22 H 1 0.99 0.02 . 1 . . . . . ILE HG2 . 6518 1 606 . 1 1 50 50 ILE HG23 H 1 0.99 0.02 . 1 . . . . . ILE HG2 . 6518 1 607 . 1 1 50 50 ILE HD11 H 1 0.30 0.02 . 1 . . . . . ILE HD1 . 6518 1 608 . 1 1 50 50 ILE HD12 H 1 0.30 0.02 . 1 . . . . . ILE HD1 . 6518 1 609 . 1 1 50 50 ILE HD13 H 1 0.30 0.02 . 1 . . . . . ILE HD1 . 6518 1 610 . 1 1 50 50 ILE C C 13 177.1 0.2 . 1 . . . . . ILE C . 6518 1 611 . 1 1 50 50 ILE CA C 13 66.8 0.2 . 1 . . . . . ILE CA . 6518 1 612 . 1 1 50 50 ILE CB C 13 38.8 0.2 . 1 . . . . . ILE CB . 6518 1 613 . 1 1 50 50 ILE CG1 C 13 29.8 0.2 . 1 . . . . . ILE CG1 . 6518 1 614 . 1 1 50 50 ILE CG2 C 13 17.1 0.2 . 1 . . . . . ILE CG2 . 6518 1 615 . 1 1 50 50 ILE CD1 C 13 14.1 0.2 . 1 . . . . . ILE CD1 . 6518 1 616 . 1 1 50 50 ILE N N 15 122.5 0.2 . 1 . . . . . ILE N . 6518 1 617 . 1 1 51 51 ASN H H 1 9.40 0.02 . 1 . . . . . ASN H . 6518 1 618 . 1 1 51 51 ASN HA H 1 4.66 0.02 . 1 . . . . . ASN HA . 6518 1 619 . 1 1 51 51 ASN HB2 H 1 3.03 0.02 . 2 . . . . . ASN HB2 . 6518 1 620 . 1 1 51 51 ASN HB3 H 1 3.13 0.02 . 2 . . . . . ASN HB3 . 6518 1 621 . 1 1 51 51 ASN HD21 H 1 7.12 0.02 . 2 . . . . . ASN HD21 . 6518 1 622 . 1 1 51 51 ASN HD22 H 1 7.82 0.02 . 2 . . . . . ASN HD22 . 6518 1 623 . 1 1 51 51 ASN C C 13 178.8 0.2 . 1 . . . . . ASN C . 6518 1 624 . 1 1 51 51 ASN CA C 13 56.6 0.2 . 1 . . . . . ASN CA . 6518 1 625 . 1 1 51 51 ASN CB C 13 38.1 0.2 . 1 . . . . . ASN CB . 6518 1 626 . 1 1 51 51 ASN CG C 13 175.9 0.2 . 1 . . . . . ASN CG . 6518 1 627 . 1 1 51 51 ASN N N 15 116.4 0.2 . 1 . . . . . ASN N . 6518 1 628 . 1 1 51 51 ASN ND2 N 15 112.3 0.2 . 1 . . . . . ASN ND2 . 6518 1 629 . 1 1 52 52 PHE H H 1 7.81 0.02 . 1 . . . . . PHE H . 6518 1 630 . 1 1 52 52 PHE HA H 1 4.48 0.02 . 1 . . . . . PHE HA . 6518 1 631 . 1 1 52 52 PHE HB2 H 1 3.43 0.02 . 2 . . . . . PHE HB2 . 6518 1 632 . 1 1 52 52 PHE HB3 H 1 3.52 0.02 . 2 . . . . . PHE HB3 . 6518 1 633 . 1 1 52 52 PHE HD1 H 1 7.24 0.02 . 3 . . . . . PHE HD1 . 6518 1 634 . 1 1 52 52 PHE HE1 H 1 7.12 0.02 . 3 . . . . . PHE HE1 . 6518 1 635 . 1 1 52 52 PHE HZ H 1 7.36 0.02 . 1 . . . . . PHE HZ . 6518 1 636 . 1 1 52 52 PHE C C 13 177.1 0.2 . 1 . . . . . PHE C . 6518 1 637 . 1 1 52 52 PHE CA C 13 61.3 0.2 . 1 . . . . . PHE CA . 6518 1 638 . 1 1 52 52 PHE CB C 13 39.0 0.2 . 1 . . . . . PHE CB . 6518 1 639 . 1 1 52 52 PHE CD1 C 13 131.7 0.2 . 3 . . . . . PHE CD1 . 6518 1 640 . 1 1 52 52 PHE CE1 C 13 130.1 0.2 . 3 . . . . . PHE CE1 . 6518 1 641 . 1 1 52 52 PHE CZ C 13 128.4 0.2 . 1 . . . . . PHE CZ . 6518 1 642 . 1 1 52 52 PHE N N 15 121.7 0.2 . 1 . . . . . PHE N . 6518 1 643 . 1 1 53 53 LEU H H 1 8.60 0.02 . 1 . . . . . LEU H . 6518 1 644 . 1 1 53 53 LEU HA H 1 3.74 0.02 . 1 . . . . . LEU HA . 6518 1 645 . 1 1 53 53 LEU HB2 H 1 1.26 0.02 . 2 . . . . . LEU HB2 . 6518 1 646 . 1 1 53 53 LEU HB3 H 1 2.00 0.02 . 2 . . . . . LEU HB3 . 6518 1 647 . 1 1 53 53 LEU HG H 1 1.75 0.02 . 1 . . . . . LEU HG . 6518 1 648 . 1 1 53 53 LEU HD11 H 1 0.67 0.02 . 1 . . . . . LEU HD1 . 6518 1 649 . 1 1 53 53 LEU HD12 H 1 0.67 0.02 . 1 . . . . . LEU HD1 . 6518 1 650 . 1 1 53 53 LEU HD13 H 1 0.67 0.02 . 1 . . . . . LEU HD1 . 6518 1 651 . 1 1 53 53 LEU HD21 H 1 0.73 0.02 . 1 . . . . . LEU HD2 . 6518 1 652 . 1 1 53 53 LEU HD22 H 1 0.73 0.02 . 1 . . . . . LEU HD2 . 6518 1 653 . 1 1 53 53 LEU HD23 H 1 0.73 0.02 . 1 . . . . . LEU HD2 . 6518 1 654 . 1 1 53 53 LEU C C 13 178.8 0.2 . 1 . . . . . LEU C . 6518 1 655 . 1 1 53 53 LEU CA C 13 57.8 0.2 . 1 . . . . . LEU CA . 6518 1 656 . 1 1 53 53 LEU CB C 13 41.7 0.2 . 1 . . . . . LEU CB . 6518 1 657 . 1 1 53 53 LEU CG C 13 28.1 0.2 . 1 . . . . . LEU CG . 6518 1 658 . 1 1 53 53 LEU CD1 C 13 27.5 0.2 . 1 . . . . . LEU CD1 . 6518 1 659 . 1 1 53 53 LEU CD2 C 13 24.2 0.2 . 1 . . . . . LEU CD2 . 6518 1 660 . 1 1 53 53 LEU N N 15 121.3 0.2 . 1 . . . . . LEU N . 6518 1 661 . 1 1 54 54 ARG H H 1 7.84 0.02 . 1 . . . . . ARG H . 6518 1 662 . 1 1 54 54 ARG HA H 1 3.87 0.02 . 1 . . . . . ARG HA . 6518 1 663 . 1 1 54 54 ARG HB2 H 1 1.84 0.02 . 2 . . . . . ARG HB2 . 6518 1 664 . 1 1 54 54 ARG HB3 H 1 1.91 0.02 . 2 . . . . . ARG HB3 . 6518 1 665 . 1 1 54 54 ARG HG2 H 1 1.38 0.02 . 2 . . . . . ARG HG2 . 6518 1 666 . 1 1 54 54 ARG HG3 H 1 1.66 0.02 . 2 . . . . . ARG HG3 . 6518 1 667 . 1 1 54 54 ARG HD2 H 1 1.84 0.02 . 2 . . . . . ARG HD2 . 6518 1 668 . 1 1 54 54 ARG HD3 H 1 2.18 0.02 . 2 . . . . . ARG HD3 . 6518 1 669 . 1 1 54 54 ARG C C 13 179.4 0.2 . 1 . . . . . ARG C . 6518 1 670 . 1 1 54 54 ARG CA C 13 60.7 0.2 . 1 . . . . . ARG CA . 6518 1 671 . 1 1 54 54 ARG CB C 13 28.6 0.2 . 1 . . . . . ARG CB . 6518 1 672 . 1 1 54 54 ARG CG C 13 27.7 0.2 . 1 . . . . . ARG CG . 6518 1 673 . 1 1 54 54 ARG CD C 13 41.0 0.2 . 1 . . . . . ARG CD . 6518 1 674 . 1 1 54 54 ARG N N 15 117.7 0.2 . 1 . . . . . ARG N . 6518 1 675 . 1 1 55 55 GLU H H 1 7.63 0.02 . 1 . . . . . GLU H . 6518 1 676 . 1 1 55 55 GLU HA H 1 4.08 0.02 . 1 . . . . . GLU HA . 6518 1 677 . 1 1 55 55 GLU HB2 H 1 2.09 0.02 . 2 . . . . . GLU HB2 . 6518 1 678 . 1 1 55 55 GLU HB3 H 1 2.23 0.02 . 2 . . . . . GLU HB3 . 6518 1 679 . 1 1 55 55 GLU HG2 H 1 2.27 0.02 . 2 . . . . . GLU HG2 . 6518 1 680 . 1 1 55 55 GLU HG3 H 1 2.50 0.02 . 2 . . . . . GLU HG3 . 6518 1 681 . 1 1 55 55 GLU C C 13 179.1 0.2 . 1 . . . . . GLU C . 6518 1 682 . 1 1 55 55 GLU CA C 13 59.5 0.2 . 1 . . . . . GLU CA . 6518 1 683 . 1 1 55 55 GLU CB C 13 29.6 0.2 . 1 . . . . . GLU CB . 6518 1 684 . 1 1 55 55 GLU CG C 13 36.5 0.2 . 1 . . . . . GLU CG . 6518 1 685 . 1 1 55 55 GLU N N 15 120.8 0.2 . 1 . . . . . GLU N . 6518 1 686 . 1 1 56 56 TYR H H 1 8.95 0.02 . 1 . . . . . TYR H . 6518 1 687 . 1 1 56 56 TYR HA H 1 4.01 0.02 . 1 . . . . . TYR HA . 6518 1 688 . 1 1 56 56 TYR HB2 H 1 2.36 0.02 . 2 . . . . . TYR HB2 . 6518 1 689 . 1 1 56 56 TYR HB3 H 1 3.03 0.02 . 2 . . . . . TYR HB3 . 6518 1 690 . 1 1 56 56 TYR HD1 H 1 7.10 0.02 . 3 . . . . . TYR HD1 . 6518 1 691 . 1 1 56 56 TYR HE1 H 1 6.55 0.02 . 3 . . . . . TYR HE1 . 6518 1 692 . 1 1 56 56 TYR C C 13 178.0 0.2 . 1 . . . . . TYR C . 6518 1 693 . 1 1 56 56 TYR CA C 13 62.1 0.2 . 1 . . . . . TYR CA . 6518 1 694 . 1 1 56 56 TYR CB C 13 39.1 0.2 . 1 . . . . . TYR CB . 6518 1 695 . 1 1 56 56 TYR CD1 C 13 133.1 0.2 . 3 . . . . . TYR CD1 . 6518 1 696 . 1 1 56 56 TYR CE1 C 13 117.9 0.2 . 3 . . . . . TYR CE1 . 6518 1 697 . 1 1 56 56 TYR N N 15 124.1 0.2 . 1 . . . . . TYR N . 6518 1 698 . 1 1 57 57 TYR H H 1 9.03 0.02 . 1 . . . . . TYR H . 6518 1 699 . 1 1 57 57 TYR HA H 1 3.93 0.02 . 1 . . . . . TYR HA . 6518 1 700 . 1 1 57 57 TYR HB2 H 1 2.96 0.02 . 2 . . . . . TYR HB2 . 6518 1 701 . 1 1 57 57 TYR HB3 H 1 3.11 0.02 . 2 . . . . . TYR HB3 . 6518 1 702 . 1 1 57 57 TYR HD1 H 1 6.83 0.02 . 3 . . . . . TYR HD1 . 6518 1 703 . 1 1 57 57 TYR HE1 H 1 6.59 0.02 . 3 . . . . . TYR HE1 . 6518 1 704 . 1 1 57 57 TYR C C 13 178.6 0.2 . 1 . . . . . TYR C . 6518 1 705 . 1 1 57 57 TYR CA C 13 62.5 0.2 . 1 . . . . . TYR CA . 6518 1 706 . 1 1 57 57 TYR CB C 13 39.4 0.2 . 1 . . . . . TYR CB . 6518 1 707 . 1 1 57 57 TYR CD1 C 13 133.4 0.2 . 3 . . . . . TYR CD1 . 6518 1 708 . 1 1 57 57 TYR CE1 C 13 117.6 0.2 . 3 . . . . . TYR CE1 . 6518 1 709 . 1 1 57 57 TYR N N 15 120.2 0.2 . 1 . . . . . TYR N . 6518 1 710 . 1 1 58 58 GLU H H 1 7.92 0.02 . 1 . . . . . GLU H . 6518 1 711 . 1 1 58 58 GLU HA H 1 3.91 0.02 . 1 . . . . . GLU HA . 6518 1 712 . 1 1 58 58 GLU HB2 H 1 2.08 0.02 . 2 . . . . . GLU HB2 . 6518 1 713 . 1 1 58 58 GLU HB3 H 1 2.21 0.02 . 2 . . . . . GLU HB3 . 6518 1 714 . 1 1 58 58 GLU HG2 H 1 2.30 0.02 . 2 . . . . . GLU HG2 . 6518 1 715 . 1 1 58 58 GLU HG3 H 1 2.40 0.02 . 2 . . . . . GLU HG3 . 6518 1 716 . 1 1 58 58 GLU C C 13 177.4 0.2 . 1 . . . . . GLU C . 6518 1 717 . 1 1 58 58 GLU CA C 13 59.7 0.2 . 1 . . . . . GLU CA . 6518 1 718 . 1 1 58 58 GLU CB C 13 29.3 0.2 . 1 . . . . . GLU CB . 6518 1 719 . 1 1 58 58 GLU CG C 13 36.1 0.2 . 1 . . . . . GLU CG . 6518 1 720 . 1 1 58 58 GLU N N 15 119.0 0.2 . 1 . . . . . GLU N . 6518 1 721 . 1 1 59 59 GLU H H 1 7.27 0.02 . 1 . . . . . GLU H . 6518 1 722 . 1 1 59 59 GLU HA H 1 3.89 0.02 . 1 . . . . . GLU HA . 6518 1 723 . 1 1 59 59 GLU HB2 H 1 1.34 0.02 . 2 . . . . . GLU HB2 . 6518 1 724 . 1 1 59 59 GLU HB3 H 1 1.67 0.02 . 2 . . . . . GLU HB3 . 6518 1 725 . 1 1 59 59 GLU HG2 H 1 1.16 0.02 . 2 . . . . . GLU HG2 . 6518 1 726 . 1 1 59 59 GLU HG3 H 1 1.54 0.02 . 2 . . . . . GLU HG3 . 6518 1 727 . 1 1 59 59 GLU C C 13 177.8 0.2 . 1 . . . . . GLU C . 6518 1 728 . 1 1 59 59 GLU CA C 13 58.6 0.2 . 1 . . . . . GLU CA . 6518 1 729 . 1 1 59 59 GLU CB C 13 30.2 0.2 . 1 . . . . . GLU CB . 6518 1 730 . 1 1 59 59 GLU CG C 13 34.9 0.2 . 1 . . . . . GLU CG . 6518 1 731 . 1 1 59 59 GLU N N 15 116.9 0.2 . 1 . . . . . GLU N . 6518 1 732 . 1 1 60 60 TYR H H 1 8.39 0.02 . 1 . . . . . TYR H . 6518 1 733 . 1 1 60 60 TYR HA H 1 4.27 0.02 . 1 . . . . . TYR HA . 6518 1 734 . 1 1 60 60 TYR HB2 H 1 2.18 0.02 . 2 . . . . . TYR HB2 . 6518 1 735 . 1 1 60 60 TYR HB3 H 1 2.87 0.02 . 2 . . . . . TYR HB3 . 6518 1 736 . 1 1 60 60 TYR HD1 H 1 6.43 0.02 . 3 . . . . . TYR HD1 . 6518 1 737 . 1 1 60 60 TYR HE1 H 1 6.55 0.02 . 3 . . . . . TYR HE1 . 6518 1 738 . 1 1 60 60 TYR C C 13 176.1 0.2 . 1 . . . . . TYR C . 6518 1 739 . 1 1 60 60 TYR CA C 13 59.7 0.2 . 1 . . . . . TYR CA . 6518 1 740 . 1 1 60 60 TYR CB C 13 39.9 0.2 . 1 . . . . . TYR CB . 6518 1 741 . 1 1 60 60 TYR CD1 C 13 133.0 0.2 . 3 . . . . . TYR CD1 . 6518 1 742 . 1 1 60 60 TYR CE1 C 13 117.8 0.2 . 3 . . . . . TYR CE1 . 6518 1 743 . 1 1 60 60 TYR N N 15 114.7 0.2 . 1 . . . . . TYR N . 6518 1 744 . 1 1 61 61 GLN H H 1 8.80 0.02 . 1 . . . . . GLN H . 6518 1 745 . 1 1 61 61 GLN HA H 1 2.47 0.02 . 1 . . . . . GLN HA . 6518 1 746 . 1 1 61 61 GLN HB2 H 1 2.02 0.02 . 2 . . . . . GLN HB2 . 6518 1 747 . 1 1 61 61 GLN HB3 H 1 2.06 0.02 . 2 . . . . . GLN HB3 . 6518 1 748 . 1 1 61 61 GLN HG2 H 1 1.97 0.02 . 2 . . . . . GLN HG2 . 6518 1 749 . 1 1 61 61 GLN HG3 H 1 2.03 0.02 . 2 . . . . . GLN HG3 . 6518 1 750 . 1 1 61 61 GLN HE21 H 1 6.69 0.02 . 2 . . . . . GLN HE21 . 6518 1 751 . 1 1 61 61 GLN HE22 H 1 7.13 0.02 . 2 . . . . . GLN HE22 . 6518 1 752 . 1 1 61 61 GLN C C 13 173.4 0.2 . 1 . . . . . GLN C . 6518 1 753 . 1 1 61 61 GLN CA C 13 56.4 0.2 . 1 . . . . . GLN CA . 6518 1 754 . 1 1 61 61 GLN CB C 13 26.0 0.2 . 1 . . . . . GLN CB . 6518 1 755 . 1 1 61 61 GLN CG C 13 34.4 0.2 . 1 . . . . . GLN CG . 6518 1 756 . 1 1 61 61 GLN CD C 13 180.9 0.2 . 1 . . . . . GLN CD . 6518 1 757 . 1 1 61 61 GLN N N 15 114.8 0.2 . 1 . . . . . GLN N . 6518 1 758 . 1 1 61 61 GLN NE2 N 15 113.9 0.2 . 1 . . . . . GLN NE2 . 6518 1 759 . 1 1 62 62 ILE H H 1 6.56 0.02 . 1 . . . . . ILE H . 6518 1 760 . 1 1 62 62 ILE HA H 1 4.35 0.02 . 1 . . . . . ILE HA . 6518 1 761 . 1 1 62 62 ILE HB H 1 1.66 0.02 . 1 . . . . . ILE HB . 6518 1 762 . 1 1 62 62 ILE HG12 H 1 1.09 0.02 . 2 . . . . . ILE HG12 . 6518 1 763 . 1 1 62 62 ILE HG13 H 1 1.51 0.02 . 2 . . . . . ILE HG13 . 6518 1 764 . 1 1 62 62 ILE HG21 H 1 0.86 0.02 . 1 . . . . . ILE HG2 . 6518 1 765 . 1 1 62 62 ILE HG22 H 1 0.86 0.02 . 1 . . . . . ILE HG2 . 6518 1 766 . 1 1 62 62 ILE HG23 H 1 0.86 0.02 . 1 . . . . . ILE HG2 . 6518 1 767 . 1 1 62 62 ILE HD11 H 1 0.90 0.02 . 1 . . . . . ILE HD1 . 6518 1 768 . 1 1 62 62 ILE HD12 H 1 0.90 0.02 . 1 . . . . . ILE HD1 . 6518 1 769 . 1 1 62 62 ILE HD13 H 1 0.90 0.02 . 1 . . . . . ILE HD1 . 6518 1 770 . 1 1 62 62 ILE C C 13 173.7 0.2 . 1 . . . . . ILE C . 6518 1 771 . 1 1 62 62 ILE CA C 13 59.3 0.2 . 1 . . . . . ILE CA . 6518 1 772 . 1 1 62 62 ILE CB C 13 43.2 0.2 . 1 . . . . . ILE CB . 6518 1 773 . 1 1 62 62 ILE CG1 C 13 27.2 0.2 . 1 . . . . . ILE CG1 . 6518 1 774 . 1 1 62 62 ILE CG2 C 13 17.6 0.2 . 1 . . . . . ILE CG2 . 6518 1 775 . 1 1 62 62 ILE CD1 C 13 13.7 0.2 . 1 . . . . . ILE CD1 . 6518 1 776 . 1 1 62 62 ILE N N 15 114.1 0.2 . 1 . . . . . ILE N . 6518 1 777 . 1 1 63 63 ALA H H 1 8.60 0.02 . 1 . . . . . ALA H . 6518 1 778 . 1 1 63 63 ALA HA H 1 4.87 0.02 . 1 . . . . . ALA HA . 6518 1 779 . 1 1 63 63 ALA HB1 H 1 1.31 0.02 . 1 . . . . . ALA HB . 6518 1 780 . 1 1 63 63 ALA HB2 H 1 1.31 0.02 . 1 . . . . . ALA HB . 6518 1 781 . 1 1 63 63 ALA HB3 H 1 1.31 0.02 . 1 . . . . . ALA HB . 6518 1 782 . 1 1 63 63 ALA CA C 13 48.5 0.2 . 1 . . . . . ALA CA . 6518 1 783 . 1 1 63 63 ALA CB C 13 19.3 0.2 . 1 . . . . . ALA CB . 6518 1 784 . 1 1 63 63 ALA N N 15 128.5 0.2 . 1 . . . . . ALA N . 6518 1 785 . 1 1 64 64 PRO HA H 1 4.29 0.02 . 1 . . . . . PRO HA . 6518 1 786 . 1 1 64 64 PRO HB2 H 1 1.51 0.02 . 2 . . . . . PRO HB2 . 6518 1 787 . 1 1 64 64 PRO HB3 H 1 1.58 0.02 . 2 . . . . . PRO HB3 . 6518 1 788 . 1 1 64 64 PRO HG2 H 1 0.96 0.02 . 2 . . . . . PRO HG2 . 6518 1 789 . 1 1 64 64 PRO HG3 H 1 1.72 0.02 . 2 . . . . . PRO HG3 . 6518 1 790 . 1 1 64 64 PRO HD2 H 1 3.49 0.02 . 2 . . . . . PRO HD2 . 6518 1 791 . 1 1 64 64 PRO HD3 H 1 3.94 0.02 . 2 . . . . . PRO HD3 . 6518 1 792 . 1 1 64 64 PRO C C 13 174.2 0.2 . 1 . . . . . PRO C . 6518 1 793 . 1 1 64 64 PRO CA C 13 62.5 0.2 . 1 . . . . . PRO CA . 6518 1 794 . 1 1 64 64 PRO CB C 13 31.0 0.2 . 1 . . . . . PRO CB . 6518 1 795 . 1 1 64 64 PRO CG C 13 26.6 0.2 . 1 . . . . . PRO CG . 6518 1 796 . 1 1 64 64 PRO CD C 13 49.8 0.2 . 1 . . . . . PRO CD . 6518 1 797 . 1 1 65 65 ALA H H 1 7.68 0.02 . 1 . . . . . ALA H . 6518 1 798 . 1 1 65 65 ALA HA H 1 4.23 0.02 . 1 . . . . . ALA HA . 6518 1 799 . 1 1 65 65 ALA HB1 H 1 1.49 0.02 . 1 . . . . . ALA HB . 6518 1 800 . 1 1 65 65 ALA HB2 H 1 1.49 0.02 . 1 . . . . . ALA HB . 6518 1 801 . 1 1 65 65 ALA HB3 H 1 1.49 0.02 . 1 . . . . . ALA HB . 6518 1 802 . 1 1 65 65 ALA C C 13 179.3 0.2 . 1 . . . . . ALA C . 6518 1 803 . 1 1 65 65 ALA CA C 13 51.0 0.2 . 1 . . . . . ALA CA . 6518 1 804 . 1 1 65 65 ALA CB C 13 19.6 0.2 . 1 . . . . . ALA CB . 6518 1 805 . 1 1 65 65 ALA N N 15 118.8 0.2 . 1 . . . . . ALA N . 6518 1 806 . 1 1 66 66 VAL H H 1 8.66 0.02 . 1 . . . . . VAL H . 6518 1 807 . 1 1 66 66 VAL HA H 1 3.65 0.02 . 1 . . . . . VAL HA . 6518 1 808 . 1 1 66 66 VAL HB H 1 2.50 0.02 . 1 . . . . . VAL HB . 6518 1 809 . 1 1 66 66 VAL HG11 H 1 1.12 0.02 . 1 . . . . . VAL HG1 . 6518 1 810 . 1 1 66 66 VAL HG12 H 1 1.12 0.02 . 1 . . . . . VAL HG1 . 6518 1 811 . 1 1 66 66 VAL HG13 H 1 1.12 0.02 . 1 . . . . . VAL HG1 . 6518 1 812 . 1 1 66 66 VAL HG21 H 1 1.06 0.02 . 1 . . . . . VAL HG2 . 6518 1 813 . 1 1 66 66 VAL HG22 H 1 1.06 0.02 . 1 . . . . . VAL HG2 . 6518 1 814 . 1 1 66 66 VAL HG23 H 1 1.06 0.02 . 1 . . . . . VAL HG2 . 6518 1 815 . 1 1 66 66 VAL C C 13 177.1 0.2 . 1 . . . . . VAL C . 6518 1 816 . 1 1 66 66 VAL CA C 13 67.8 0.2 . 1 . . . . . VAL CA . 6518 1 817 . 1 1 66 66 VAL CB C 13 31.4 0.2 . 1 . . . . . VAL CB . 6518 1 818 . 1 1 66 66 VAL CG1 C 13 19.8 0.2 . 1 . . . . . VAL CG1 . 6518 1 819 . 1 1 66 66 VAL CG2 C 13 23.2 0.2 . 1 . . . . . VAL CG2 . 6518 1 820 . 1 1 66 66 VAL N N 15 120.0 0.2 . 1 . . . . . VAL N . 6518 1 821 . 1 1 67 67 ARG H H 1 8.83 0.02 . 1 . . . . . ARG H . 6518 1 822 . 1 1 67 67 ARG HA H 1 4.22 0.02 . 1 . . . . . ARG HA . 6518 1 823 . 1 1 67 67 ARG HB2 H 1 1.87 0.02 . 2 . . . . . ARG HB2 . 6518 1 824 . 1 1 67 67 ARG HB3 H 1 1.96 0.02 . 2 . . . . . ARG HB3 . 6518 1 825 . 1 1 67 67 ARG HG2 H 1 1.68 0.02 . 2 . . . . . ARG HG2 . 6518 1 826 . 1 1 67 67 ARG HG3 H 1 1.77 0.02 . 2 . . . . . ARG HG3 . 6518 1 827 . 1 1 67 67 ARG HD2 H 1 3.26 0.02 . 2 . . . . . ARG HD2 . 6518 1 828 . 1 1 67 67 ARG HD3 H 1 3.28 0.02 . 2 . . . . . ARG HD3 . 6518 1 829 . 1 1 67 67 ARG C C 13 178.6 0.2 . 1 . . . . . ARG C . 6518 1 830 . 1 1 67 67 ARG CA C 13 60.0 0.2 . 1 . . . . . ARG CA . 6518 1 831 . 1 1 67 67 ARG CB C 13 29.9 0.2 . 1 . . . . . ARG CB . 6518 1 832 . 1 1 67 67 ARG CG C 13 27.8 0.2 . 1 . . . . . ARG CG . 6518 1 833 . 1 1 67 67 ARG CD C 13 43.3 0.2 . 1 . . . . . ARG CD . 6518 1 834 . 1 1 67 67 ARG N N 15 122.5 0.2 . 1 . . . . . ARG N . 6518 1 835 . 1 1 68 68 VAL H H 1 7.09 0.02 . 1 . . . . . VAL H . 6518 1 836 . 1 1 68 68 VAL HA H 1 3.67 0.02 . 1 . . . . . VAL HA . 6518 1 837 . 1 1 68 68 VAL HB H 1 2.04 0.02 . 1 . . . . . VAL HB . 6518 1 838 . 1 1 68 68 VAL HG11 H 1 0.89 0.02 . 1 . . . . . VAL HG1 . 6518 1 839 . 1 1 68 68 VAL HG12 H 1 0.89 0.02 . 1 . . . . . VAL HG1 . 6518 1 840 . 1 1 68 68 VAL HG13 H 1 0.89 0.02 . 1 . . . . . VAL HG1 . 6518 1 841 . 1 1 68 68 VAL HG21 H 1 1.04 0.02 . 1 . . . . . VAL HG2 . 6518 1 842 . 1 1 68 68 VAL HG22 H 1 1.04 0.02 . 1 . . . . . VAL HG2 . 6518 1 843 . 1 1 68 68 VAL HG23 H 1 1.04 0.02 . 1 . . . . . VAL HG2 . 6518 1 844 . 1 1 68 68 VAL C C 13 178.3 0.2 . 1 . . . . . VAL C . 6518 1 845 . 1 1 68 68 VAL CA C 13 65.6 0.2 . 1 . . . . . VAL CA . 6518 1 846 . 1 1 68 68 VAL CB C 13 32.3 0.2 . 1 . . . . . VAL CB . 6518 1 847 . 1 1 68 68 VAL CG1 C 13 21.4 0.2 . 1 . . . . . VAL CG1 . 6518 1 848 . 1 1 68 68 VAL CG2 C 13 22.6 0.2 . 1 . . . . . VAL CG2 . 6518 1 849 . 1 1 68 68 VAL N N 15 120.0 0.2 . 1 . . . . . VAL N . 6518 1 850 . 1 1 69 69 LEU H H 1 8.63 0.02 . 1 . . . . . LEU H . 6518 1 851 . 1 1 69 69 LEU HA H 1 3.67 0.02 . 1 . . . . . LEU HA . 6518 1 852 . 1 1 69 69 LEU HB2 H 1 1.25 0.02 . 2 . . . . . LEU HB2 . 6518 1 853 . 1 1 69 69 LEU HB3 H 1 1.80 0.02 . 2 . . . . . LEU HB3 . 6518 1 854 . 1 1 69 69 LEU HG H 1 1.37 0.02 . 1 . . . . . LEU HG . 6518 1 855 . 1 1 69 69 LEU HD11 H 1 0.76 0.02 . 1 . . . . . LEU HD1 . 6518 1 856 . 1 1 69 69 LEU HD12 H 1 0.76 0.02 . 1 . . . . . LEU HD1 . 6518 1 857 . 1 1 69 69 LEU HD13 H 1 0.76 0.02 . 1 . . . . . LEU HD1 . 6518 1 858 . 1 1 69 69 LEU HD21 H 1 0.64 0.02 . 1 . . . . . LEU HD2 . 6518 1 859 . 1 1 69 69 LEU HD22 H 1 0.64 0.02 . 1 . . . . . LEU HD2 . 6518 1 860 . 1 1 69 69 LEU HD23 H 1 0.64 0.02 . 1 . . . . . LEU HD2 . 6518 1 861 . 1 1 69 69 LEU C C 13 177.6 0.2 . 1 . . . . . LEU C . 6518 1 862 . 1 1 69 69 LEU CA C 13 58.6 0.2 . 1 . . . . . LEU CA . 6518 1 863 . 1 1 69 69 LEU CB C 13 42.4 0.2 . 1 . . . . . LEU CB . 6518 1 864 . 1 1 69 69 LEU CG C 13 27.3 0.2 . 1 . . . . . LEU CG . 6518 1 865 . 1 1 69 69 LEU CD1 C 13 24.7 0.2 . 1 . . . . . LEU CD1 . 6518 1 866 . 1 1 69 69 LEU CD2 C 13 25.7 0.2 . 1 . . . . . LEU CD2 . 6518 1 867 . 1 1 69 69 LEU N N 15 121.0 0.2 . 1 . . . . . LEU N . 6518 1 868 . 1 1 70 70 THR H H 1 8.48 0.02 . 1 . . . . . THR H . 6518 1 869 . 1 1 70 70 THR HA H 1 3.50 0.02 . 1 . . . . . THR HA . 6518 1 870 . 1 1 70 70 THR HB H 1 4.13 0.02 . 1 . . . . . THR HB . 6518 1 871 . 1 1 70 70 THR HG21 H 1 1.12 0.02 . 1 . . . . . THR HG2 . 6518 1 872 . 1 1 70 70 THR HG22 H 1 1.12 0.02 . 1 . . . . . THR HG2 . 6518 1 873 . 1 1 70 70 THR HG23 H 1 1.12 0.02 . 1 . . . . . THR HG2 . 6518 1 874 . 1 1 70 70 THR C C 13 176.1 0.2 . 1 . . . . . THR C . 6518 1 875 . 1 1 70 70 THR CA C 13 67.2 0.2 . 1 . . . . . THR CA . 6518 1 876 . 1 1 70 70 THR CB C 13 68.1 0.2 . 1 . . . . . THR CB . 6518 1 877 . 1 1 70 70 THR CG2 C 13 21.1 0.2 . 1 . . . . . THR CG2 . 6518 1 878 . 1 1 70 70 THR N N 15 112.7 0.2 . 1 . . . . . THR N . 6518 1 879 . 1 1 71 71 LYS H H 1 7.10 0.02 . 1 . . . . . LYS H . 6518 1 880 . 1 1 71 71 LYS HA H 1 4.11 0.02 . 1 . . . . . LYS HA . 6518 1 881 . 1 1 71 71 LYS HB2 H 1 1.88 0.02 . 2 . . . . . LYS HB2 . 6518 1 882 . 1 1 71 71 LYS HB3 H 1 2.00 0.02 . 2 . . . . . LYS HB3 . 6518 1 883 . 1 1 71 71 LYS HG2 H 1 1.51 0.02 . 2 . . . . . LYS HG2 . 6518 1 884 . 1 1 71 71 LYS HG3 H 1 1.62 0.02 . 2 . . . . . LYS HG3 . 6518 1 885 . 1 1 71 71 LYS HD2 H 1 1.75 0.02 . 2 . . . . . LYS HD2 . 6518 1 886 . 1 1 71 71 LYS HD3 H 1 1.77 0.02 . 2 . . . . . LYS HD3 . 6518 1 887 . 1 1 71 71 LYS HE2 H 1 3.05 0.02 . 2 . . . . . LYS HE2 . 6518 1 888 . 1 1 71 71 LYS HE3 H 1 3.07 0.02 . 2 . . . . . LYS HE3 . 6518 1 889 . 1 1 71 71 LYS C C 13 179.1 0.2 . 1 . . . . . LYS C . 6518 1 890 . 1 1 71 71 LYS CA C 13 59.0 0.2 . 1 . . . . . LYS CA . 6518 1 891 . 1 1 71 71 LYS CB C 13 32.6 0.2 . 1 . . . . . LYS CB . 6518 1 892 . 1 1 71 71 LYS CG C 13 25.1 0.2 . 1 . . . . . LYS CG . 6518 1 893 . 1 1 71 71 LYS CD C 13 29.3 0.2 . 1 . . . . . LYS CD . 6518 1 894 . 1 1 71 71 LYS N N 15 120.1 0.2 . 1 . . . . . LYS N . 6518 1 895 . 1 1 72 72 ALA H H 1 8.21 0.02 . 1 . . . . . ALA H . 6518 1 896 . 1 1 72 72 ALA HA H 1 4.25 0.02 . 1 . . . . . ALA HA . 6518 1 897 . 1 1 72 72 ALA HB1 H 1 1.59 0.02 . 1 . . . . . ALA HB . 6518 1 898 . 1 1 72 72 ALA HB2 H 1 1.59 0.02 . 1 . . . . . ALA HB . 6518 1 899 . 1 1 72 72 ALA HB3 H 1 1.59 0.02 . 1 . . . . . ALA HB . 6518 1 900 . 1 1 72 72 ALA C C 13 180.7 0.2 . 1 . . . . . ALA C . 6518 1 901 . 1 1 72 72 ALA CA C 13 55.4 0.2 . 1 . . . . . ALA CA . 6518 1 902 . 1 1 72 72 ALA CB C 13 18.4 0.2 . 1 . . . . . ALA CB . 6518 1 903 . 1 1 72 72 ALA N N 15 122.7 0.2 . 1 . . . . . ALA N . 6518 1 904 . 1 1 73 73 VAL H H 1 8.75 0.02 . 1 . . . . . VAL H . 6518 1 905 . 1 1 73 73 VAL HA H 1 2.98 0.02 . 1 . . . . . VAL HA . 6518 1 906 . 1 1 73 73 VAL HB H 1 1.98 0.02 . 1 . . . . . VAL HB . 6518 1 907 . 1 1 73 73 VAL HG11 H 1 0.66 0.02 . 1 . . . . . VAL HG1 . 6518 1 908 . 1 1 73 73 VAL HG12 H 1 0.66 0.02 . 1 . . . . . VAL HG1 . 6518 1 909 . 1 1 73 73 VAL HG13 H 1 0.66 0.02 . 1 . . . . . VAL HG1 . 6518 1 910 . 1 1 73 73 VAL HG21 H 1 0.67 0.02 . 1 . . . . . VAL HG2 . 6518 1 911 . 1 1 73 73 VAL HG22 H 1 0.67 0.02 . 1 . . . . . VAL HG2 . 6518 1 912 . 1 1 73 73 VAL HG23 H 1 0.67 0.02 . 1 . . . . . VAL HG2 . 6518 1 913 . 1 1 73 73 VAL C C 13 178.1 0.2 . 1 . . . . . VAL C . 6518 1 914 . 1 1 73 73 VAL CA C 13 66.2 0.2 . 1 . . . . . VAL CA . 6518 1 915 . 1 1 73 73 VAL CB C 13 31.4 0.2 . 1 . . . . . VAL CB . 6518 1 916 . 1 1 73 73 VAL CG1 C 13 21.8 0.2 . 1 . . . . . VAL CG1 . 6518 1 917 . 1 1 73 73 VAL CG2 C 13 24.1 0.2 . 1 . . . . . VAL CG2 . 6518 1 918 . 1 1 73 73 VAL N N 15 119.2 0.2 . 1 . . . . . VAL N . 6518 1 919 . 1 1 74 74 GLY H H 1 7.98 0.02 . 1 . . . . . GLY H . 6518 1 920 . 1 1 74 74 GLY HA2 H 1 3.82 0.02 . 2 . . . . . GLY HA2 . 6518 1 921 . 1 1 74 74 GLY HA3 H 1 3.83 0.02 . 2 . . . . . GLY HA3 . 6518 1 922 . 1 1 74 74 GLY C C 13 176.0 0.2 . 1 . . . . . GLY C . 6518 1 923 . 1 1 74 74 GLY CA C 13 46.3 0.2 . 1 . . . . . GLY CA . 6518 1 924 . 1 1 74 74 GLY N N 15 106.9 0.2 . 1 . . . . . GLY N . 6518 1 925 . 1 1 75 75 LYS H H 1 7.57 0.02 . 1 . . . . . LYS H . 6518 1 926 . 1 1 75 75 LYS HA H 1 4.12 0.02 . 1 . . . . . LYS HA . 6518 1 927 . 1 1 75 75 LYS HB2 H 1 1.96 0.02 . 2 . . . . . LYS HB2 . 6518 1 928 . 1 1 75 75 LYS HB3 H 1 2.02 0.02 . 2 . . . . . LYS HB3 . 6518 1 929 . 1 1 75 75 LYS HG2 H 1 1.55 0.02 . 2 . . . . . LYS HG2 . 6518 1 930 . 1 1 75 75 LYS HG3 H 1 1.65 0.02 . 2 . . . . . LYS HG3 . 6518 1 931 . 1 1 75 75 LYS HD2 H 1 1.77 0.02 . 2 . . . . . LYS HD2 . 6518 1 932 . 1 1 75 75 LYS HD3 H 1 1.82 0.02 . 2 . . . . . LYS HD3 . 6518 1 933 . 1 1 75 75 LYS HE2 H 1 3.04 0.02 . 2 . . . . . LYS HE2 . 6518 1 934 . 1 1 75 75 LYS HE3 H 1 3.06 0.02 . 2 . . . . . LYS HE3 . 6518 1 935 . 1 1 75 75 LYS C C 13 177.6 0.2 . 1 . . . . . LYS C . 6518 1 936 . 1 1 75 75 LYS CA C 13 58.7 0.2 . 1 . . . . . LYS CA . 6518 1 937 . 1 1 75 75 LYS CB C 13 32.9 0.2 . 1 . . . . . LYS CB . 6518 1 938 . 1 1 75 75 LYS CG C 13 25.0 0.2 . 1 . . . . . LYS CG . 6518 1 939 . 1 1 75 75 LYS CD C 13 29.1 0.2 . 1 . . . . . LYS CD . 6518 1 940 . 1 1 75 75 LYS CE C 13 42.5 0.2 . 1 . . . . . LYS CE . 6518 1 941 . 1 1 75 75 LYS N N 15 119.6 0.2 . 1 . . . . . LYS N . 6518 1 942 . 1 1 76 76 LYS H H 1 7.51 0.02 . 1 . . . . . LYS H . 6518 1 943 . 1 1 76 76 LYS HA H 1 4.43 0.02 . 1 . . . . . LYS HA . 6518 1 944 . 1 1 76 76 LYS HB2 H 1 1.91 0.02 . 2 . . . . . LYS HB2 . 6518 1 945 . 1 1 76 76 LYS HB3 H 1 1.76 0.02 . 2 . . . . . LYS HB3 . 6518 1 946 . 1 1 76 76 LYS HG2 H 1 1.55 0.02 . 2 . . . . . LYS HG2 . 6518 1 947 . 1 1 76 76 LYS HG3 H 1 1.57 0.02 . 2 . . . . . LYS HG3 . 6518 1 948 . 1 1 76 76 LYS HD2 H 1 1.81 0.02 . 2 . . . . . LYS HD2 . 6518 1 949 . 1 1 76 76 LYS HD3 H 1 1.89 0.02 . 2 . . . . . LYS HD3 . 6518 1 950 . 1 1 76 76 LYS C C 13 177.4 0.2 . 1 . . . . . LYS C . 6518 1 951 . 1 1 76 76 LYS CA C 13 57.8 0.2 . 1 . . . . . LYS CA . 6518 1 952 . 1 1 76 76 LYS CB C 13 34.5 0.2 . 1 . . . . . LYS CB . 6518 1 953 . 1 1 76 76 LYS CG C 13 25.1 0.2 . 1 . . . . . LYS CG . 6518 1 954 . 1 1 76 76 LYS CD C 13 29.0 0.2 . 1 . . . . . LYS CD . 6518 1 955 . 1 1 76 76 LYS N N 15 116.9 0.2 . 1 . . . . . LYS N . 6518 1 956 . 1 1 77 77 LEU H H 1 8.86 0.02 . 1 . . . . . LEU H . 6518 1 957 . 1 1 77 77 LEU HA H 1 4.55 0.02 . 1 . . . . . LEU HA . 6518 1 958 . 1 1 77 77 LEU HB2 H 1 1.57 0.02 . 2 . . . . . LEU HB2 . 6518 1 959 . 1 1 77 77 LEU HB3 H 1 1.65 0.02 . 2 . . . . . LEU HB3 . 6518 1 960 . 1 1 77 77 LEU HG H 1 1.47 0.02 . 1 . . . . . LEU HG . 6518 1 961 . 1 1 77 77 LEU HD11 H 1 0.83 0.02 . 1 . . . . . LEU HD1 . 6518 1 962 . 1 1 77 77 LEU HD12 H 1 0.83 0.02 . 1 . . . . . LEU HD1 . 6518 1 963 . 1 1 77 77 LEU HD13 H 1 0.83 0.02 . 1 . . . . . LEU HD1 . 6518 1 964 . 1 1 77 77 LEU HD21 H 1 0.94 0.02 . 1 . . . . . LEU HD2 . 6518 1 965 . 1 1 77 77 LEU HD22 H 1 0.94 0.02 . 1 . . . . . LEU HD2 . 6518 1 966 . 1 1 77 77 LEU HD23 H 1 0.94 0.02 . 1 . . . . . LEU HD2 . 6518 1 967 . 1 1 77 77 LEU C C 13 177.4 0.2 . 1 . . . . . LEU C . 6518 1 968 . 1 1 77 77 LEU CA C 13 55.0 0.2 . 1 . . . . . LEU CA . 6518 1 969 . 1 1 77 77 LEU CB C 13 42.9 0.2 . 1 . . . . . LEU CB . 6518 1 970 . 1 1 77 77 LEU CG C 13 27.6 0.2 . 1 . . . . . LEU CG . 6518 1 971 . 1 1 77 77 LEU CD1 C 13 25.7 0.2 . 1 . . . . . LEU CD1 . 6518 1 972 . 1 1 77 77 LEU CD2 C 13 22.9 0.2 . 1 . . . . . LEU CD2 . 6518 1 973 . 1 1 77 77 LEU N N 15 116.0 0.2 . 1 . . . . . LEU N . 6518 1 974 . 1 1 78 78 GLY H H 1 7.22 0.02 . 1 . . . . . GLY H . 6518 1 975 . 1 1 78 78 GLY HA2 H 1 3.84 0.02 . 2 . . . . . GLY HA2 . 6518 1 976 . 1 1 78 78 GLY HA3 H 1 4.58 0.02 . 2 . . . . . GLY HA3 . 6518 1 977 . 1 1 78 78 GLY CA C 13 45.0 0.2 . 1 . . . . . GLY CA . 6518 1 978 . 1 1 78 78 GLY N N 15 109.0 0.2 . 1 . . . . . GLY N . 6518 1 979 . 1 1 79 79 LYS HA H 1 3.92 0.02 . 1 . . . . . LYS HA . 6518 1 980 . 1 1 79 79 LYS HB2 H 1 1.73 0.02 . 2 . . . . . LYS HB2 . 6518 1 981 . 1 1 79 79 LYS HB3 H 1 1.88 0.02 . 2 . . . . . LYS HB3 . 6518 1 982 . 1 1 79 79 LYS HG2 H 1 1.48 0.02 . 2 . . . . . LYS HG2 . 6518 1 983 . 1 1 79 79 LYS HG3 H 1 1.50 0.02 . 2 . . . . . LYS HG3 . 6518 1 984 . 1 1 79 79 LYS C C 13 178.3 0.2 . 1 . . . . . LYS C . 6518 1 985 . 1 1 79 79 LYS CA C 13 59.6 0.2 . 1 . . . . . LYS CA . 6518 1 986 . 1 1 79 79 LYS CB C 13 32.4 0.2 . 1 . . . . . LYS CB . 6518 1 987 . 1 1 79 79 LYS CG C 13 24.9 0.2 . 1 . . . . . LYS CG . 6518 1 988 . 1 1 79 79 LYS CD C 13 29.3 0.2 . 1 . . . . . LYS CD . 6518 1 989 . 1 1 79 79 LYS CE C 13 42.3 0.2 . 1 . . . . . LYS CE . 6518 1 990 . 1 1 80 80 GLU H H 1 9.18 0.02 . 1 . . . . . GLU H . 6518 1 991 . 1 1 80 80 GLU HA H 1 4.03 0.02 . 1 . . . . . GLU HA . 6518 1 992 . 1 1 80 80 GLU HB2 H 1 1.84 0.02 . 2 . . . . . GLU HB2 . 6518 1 993 . 1 1 80 80 GLU HB3 H 1 1.97 0.02 . 2 . . . . . GLU HB3 . 6518 1 994 . 1 1 80 80 GLU HG2 H 1 2.20 0.02 . 2 . . . . . GLU HG2 . 6518 1 995 . 1 1 80 80 GLU HG3 H 1 2.28 0.02 . 2 . . . . . GLU HG3 . 6518 1 996 . 1 1 80 80 GLU C C 13 173.3 0.2 . 1 . . . . . GLU C . 6518 1 997 . 1 1 80 80 GLU CA C 13 59.0 0.2 . 1 . . . . . GLU CA . 6518 1 998 . 1 1 80 80 GLU CB C 13 28.2 0.2 . 1 . . . . . GLU CB . 6518 1 999 . 1 1 80 80 GLU CG C 13 36.5 0.2 . 1 . . . . . GLU CG . 6518 1 1000 . 1 1 80 80 GLU N N 15 118.9 0.2 . 1 . . . . . GLU N . 6518 1 1001 . 1 1 81 81 LYS H H 1 7.30 0.02 . 1 . . . . . LYS H . 6518 1 1002 . 1 1 81 81 LYS HA H 1 3.84 0.02 . 1 . . . . . LYS HA . 6518 1 1003 . 1 1 81 81 LYS HB2 H 1 1.29 0.02 . 2 . . . . . LYS HB2 . 6518 1 1004 . 1 1 81 81 LYS HB3 H 1 1.40 0.02 . 2 . . . . . LYS HB3 . 6518 1 1005 . 1 1 81 81 LYS HG2 H 1 0.44 0.02 . 2 . . . . . LYS HG2 . 6518 1 1006 . 1 1 81 81 LYS HG3 H 1 1.02 0.02 . 2 . . . . . LYS HG3 . 6518 1 1007 . 1 1 81 81 LYS HD2 H 1 1.28 0.02 . 2 . . . . . LYS HD2 . 6518 1 1008 . 1 1 81 81 LYS HD3 H 1 1.30 0.02 . 2 . . . . . LYS HD3 . 6518 1 1009 . 1 1 81 81 LYS HE2 H 1 2.85 0.02 . 2 . . . . . LYS HE2 . 6518 1 1010 . 1 1 81 81 LYS HE3 H 1 2.87 0.02 . 2 . . . . . LYS HE3 . 6518 1 1011 . 1 1 81 81 LYS C C 13 177.1 0.2 . 1 . . . . . LYS C . 6518 1 1012 . 1 1 81 81 LYS CA C 13 56.1 0.2 . 1 . . . . . LYS CA . 6518 1 1013 . 1 1 81 81 LYS CB C 13 33.5 0.2 . 1 . . . . . LYS CB . 6518 1 1014 . 1 1 81 81 LYS CG C 13 26.2 0.2 . 1 . . . . . LYS CG . 6518 1 1015 . 1 1 81 81 LYS CD C 13 29.7 0.2 . 1 . . . . . LYS CD . 6518 1 1016 . 1 1 81 81 LYS CE C 13 42.6 0.2 . 1 . . . . . LYS CE . 6518 1 1017 . 1 1 81 81 LYS N N 15 117.3 0.2 . 1 . . . . . LYS N . 6518 1 1018 . 1 1 82 82 GLY H H 1 7.61 0.02 . 1 . . . . . GLY H . 6518 1 1019 . 1 1 82 82 GLY HA2 H 1 3.15 0.02 . 2 . . . . . GLY HA2 . 6518 1 1020 . 1 1 82 82 GLY HA3 H 1 4.31 0.02 . 2 . . . . . GLY HA3 . 6518 1 1021 . 1 1 82 82 GLY C C 13 173.6 0.2 . 1 . . . . . GLY C . 6518 1 1022 . 1 1 82 82 GLY CA C 13 46.7 0.2 . 1 . . . . . GLY CA . 6518 1 1023 . 1 1 82 82 GLY N N 15 104.5 0.2 . 1 . . . . . GLY N . 6518 1 1024 . 1 1 83 83 ASN H H 1 7.89 0.02 . 1 . . . . . ASN H . 6518 1 1025 . 1 1 83 83 ASN HA H 1 4.81 0.02 . 1 . . . . . ASN HA . 6518 1 1026 . 1 1 83 83 ASN HB2 H 1 2.87 0.02 . 2 . . . . . ASN HB2 . 6518 1 1027 . 1 1 83 83 ASN HB3 H 1 2.91 0.02 . 2 . . . . . ASN HB3 . 6518 1 1028 . 1 1 83 83 ASN HD21 H 1 6.55 0.02 . 2 . . . . . ASN HD21 . 6518 1 1029 . 1 1 83 83 ASN HD22 H 1 7.56 0.02 . 2 . . . . . ASN HD22 . 6518 1 1030 . 1 1 83 83 ASN CA C 13 52.9 0.2 . 1 . . . . . ASN CA . 6518 1 1031 . 1 1 83 83 ASN CB C 13 41.5 0.2 . 1 . . . . . ASN CB . 6518 1 1032 . 1 1 83 83 ASN CG C 13 176.0 0.2 . 1 . . . . . ASN CG . 6518 1 1033 . 1 1 83 83 ASN N N 15 117.0 0.2 . 1 . . . . . ASN N . 6518 1 1034 . 1 1 83 83 ASN ND2 N 15 115.8 0.2 . 1 . . . . . ASN ND2 . 6518 1 1035 . 1 1 84 84 SER C C 13 175.5 0.2 . 1 . . . . . SER C . 6518 1 1036 . 1 1 84 84 SER CA C 13 62.8 0.2 . 1 . . . . . SER CA . 6518 1 1037 . 1 1 85 85 LYS H H 1 8.37 0.02 . 1 . . . . . LYS H . 6518 1 1038 . 1 1 85 85 LYS HA H 1 4.13 0.02 . 1 . . . . . LYS HA . 6518 1 1039 . 1 1 85 85 LYS HB2 H 1 1.91 0.02 . 2 . . . . . LYS HB2 . 6518 1 1040 . 1 1 85 85 LYS HB3 H 1 2.02 0.02 . 2 . . . . . LYS HB3 . 6518 1 1041 . 1 1 85 85 LYS HG2 H 1 1.48 0.02 . 2 . . . . . LYS HG2 . 6518 1 1042 . 1 1 85 85 LYS HG3 H 1 1.60 0.02 . 2 . . . . . LYS HG3 . 6518 1 1043 . 1 1 85 85 LYS HD2 H 1 1.75 0.02 . 2 . . . . . LYS HD2 . 6518 1 1044 . 1 1 85 85 LYS HD3 H 1 1.77 0.02 . 2 . . . . . LYS HD3 . 6518 1 1045 . 1 1 85 85 LYS HE2 H 1 3.04 0.02 . 2 . . . . . LYS HE2 . 6518 1 1046 . 1 1 85 85 LYS HE3 H 1 3.06 0.02 . 2 . . . . . LYS HE3 . 6518 1 1047 . 1 1 85 85 LYS C C 13 179.6 0.2 . 1 . . . . . LYS C . 6518 1 1048 . 1 1 85 85 LYS CA C 13 60.2 0.2 . 1 . . . . . LYS CA . 6518 1 1049 . 1 1 85 85 LYS CB C 13 32.0 0.2 . 1 . . . . . LYS CB . 6518 1 1050 . 1 1 85 85 LYS CG C 13 29.3 0.2 . 1 . . . . . LYS CG . 6518 1 1051 . 1 1 85 85 LYS CD C 13 25.3 0.2 . 1 . . . . . LYS CD . 6518 1 1052 . 1 1 85 85 LYS CE C 13 42.4 0.2 . 1 . . . . . LYS CE . 6518 1 1053 . 1 1 85 85 LYS N N 15 122.6 0.2 . 1 . . . . . LYS N . 6518 1 1054 . 1 1 86 86 TYR H H 1 8.33 0.02 . 1 . . . . . TYR H . 6518 1 1055 . 1 1 86 86 TYR HA H 1 4.26 0.02 . 1 . . . . . TYR HA . 6518 1 1056 . 1 1 86 86 TYR HB2 H 1 3.04 0.02 . 2 . . . . . TYR HB2 . 6518 1 1057 . 1 1 86 86 TYR HB3 H 1 3.30 0.02 . 2 . . . . . TYR HB3 . 6518 1 1058 . 1 1 86 86 TYR HD1 H 1 7.28 0.02 . 3 . . . . . TYR HD1 . 6518 1 1059 . 1 1 86 86 TYR HE1 H 1 6.71 0.02 . 3 . . . . . TYR HE1 . 6518 1 1060 . 1 1 86 86 TYR C C 13 179.1 0.2 . 1 . . . . . TYR C . 6518 1 1061 . 1 1 86 86 TYR CA C 13 61.5 0.2 . 1 . . . . . TYR CA . 6518 1 1062 . 1 1 86 86 TYR CB C 13 38.7 0.2 . 1 . . . . . TYR CB . 6518 1 1063 . 1 1 86 86 TYR CD1 C 13 133.6 0.2 . 3 . . . . . TYR CD1 . 6518 1 1064 . 1 1 86 86 TYR CE1 C 13 117.8 0.2 . 3 . . . . . TYR CE1 . 6518 1 1065 . 1 1 86 86 TYR N N 15 120.4 0.2 . 1 . . . . . TYR N . 6518 1 1066 . 1 1 87 87 LEU H H 1 8.16 0.02 . 1 . . . . . LEU H . 6518 1 1067 . 1 1 87 87 LEU HA H 1 3.95 0.02 . 1 . . . . . LEU HA . 6518 1 1068 . 1 1 87 87 LEU HB2 H 1 1.97 0.02 . 2 . . . . . LEU HB2 . 6518 1 1069 . 1 1 87 87 LEU HB3 H 1 1.28 0.02 . 2 . . . . . LEU HB3 . 6518 1 1070 . 1 1 87 87 LEU HG H 1 2.34 0.02 . 1 . . . . . LEU HG . 6518 1 1071 . 1 1 87 87 LEU HD11 H 1 0.90 0.02 . 1 . . . . . LEU HD1 . 6518 1 1072 . 1 1 87 87 LEU HD12 H 1 0.90 0.02 . 1 . . . . . LEU HD1 . 6518 1 1073 . 1 1 87 87 LEU HD13 H 1 0.90 0.02 . 1 . . . . . LEU HD1 . 6518 1 1074 . 1 1 87 87 LEU HD21 H 1 1.03 0.02 . 1 . . . . . LEU HD2 . 6518 1 1075 . 1 1 87 87 LEU HD22 H 1 1.03 0.02 . 1 . . . . . LEU HD2 . 6518 1 1076 . 1 1 87 87 LEU HD23 H 1 1.03 0.02 . 1 . . . . . LEU HD2 . 6518 1 1077 . 1 1 87 87 LEU C C 13 179.6 0.2 . 1 . . . . . LEU C . 6518 1 1078 . 1 1 87 87 LEU CA C 13 58.9 0.2 . 1 . . . . . LEU CA . 6518 1 1079 . 1 1 87 87 LEU CB C 13 41.9 0.2 . 1 . . . . . LEU CB . 6518 1 1080 . 1 1 87 87 LEU CG C 13 27.2 0.2 . 1 . . . . . LEU CG . 6518 1 1081 . 1 1 87 87 LEU CD1 C 13 26.9 0.2 . 1 . . . . . LEU CD1 . 6518 1 1082 . 1 1 87 87 LEU CD2 C 13 23.3 0.2 . 1 . . . . . LEU CD2 . 6518 1 1083 . 1 1 87 87 LEU N N 15 119.1 0.2 . 1 . . . . . LEU N . 6518 1 1084 . 1 1 88 88 TYR H H 1 8.95 0.02 . 1 . . . . . TYR H . 6518 1 1085 . 1 1 88 88 TYR HA H 1 4.26 0.02 . 1 . . . . . TYR HA . 6518 1 1086 . 1 1 88 88 TYR HB2 H 1 2.99 0.02 . 2 . . . . . TYR HB2 . 6518 1 1087 . 1 1 88 88 TYR HB3 H 1 3.12 0.02 . 2 . . . . . TYR HB3 . 6518 1 1088 . 1 1 88 88 TYR HD1 H 1 7.49 0.02 . 3 . . . . . TYR HD1 . 6518 1 1089 . 1 1 88 88 TYR HE1 H 1 6.88 0.02 . 3 . . . . . TYR HE1 . 6518 1 1090 . 1 1 88 88 TYR C C 13 177.9 0.2 . 1 . . . . . TYR C . 6518 1 1091 . 1 1 88 88 TYR CA C 13 61.7 0.2 . 1 . . . . . TYR CA . 6518 1 1092 . 1 1 88 88 TYR CB C 13 38.0 0.2 . 1 . . . . . TYR CB . 6518 1 1093 . 1 1 88 88 TYR CD1 C 13 133.9 0.2 . 3 . . . . . TYR CD1 . 6518 1 1094 . 1 1 88 88 TYR CE1 C 13 118.2 0.2 . 3 . . . . . TYR CE1 . 6518 1 1095 . 1 1 88 88 TYR N N 15 118.2 0.2 . 1 . . . . . TYR N . 6518 1 1096 . 1 1 89 89 SER H H 1 7.56 0.02 . 1 . . . . . SER H . 6518 1 1097 . 1 1 89 89 SER HA H 1 4.25 0.02 . 1 . . . . . SER HA . 6518 1 1098 . 1 1 89 89 SER HB2 H 1 3.95 0.02 . 2 . . . . . SER HB2 . 6518 1 1099 . 1 1 89 89 SER HB3 H 1 4.01 0.02 . 2 . . . . . SER HB3 . 6518 1 1100 . 1 1 89 89 SER C C 13 175.5 0.2 . 1 . . . . . SER C . 6518 1 1101 . 1 1 89 89 SER CA C 13 61.1 0.2 . 1 . . . . . SER CA . 6518 1 1102 . 1 1 89 89 SER CB C 13 62.5 0.2 . 1 . . . . . SER CB . 6518 1 1103 . 1 1 89 89 SER N N 15 115.7 0.2 . 1 . . . . . SER N . 6518 1 1104 . 1 1 90 90 LEU H H 1 6.72 0.02 . 1 . . . . . LEU H . 6518 1 1105 . 1 1 90 90 LEU HA H 1 3.87 0.02 . 1 . . . . . LEU HA . 6518 1 1106 . 1 1 90 90 LEU HB2 H 1 0.08 0.02 . 2 . . . . . LEU HB2 . 6518 1 1107 . 1 1 90 90 LEU HB3 H 1 1.47 0.02 . 2 . . . . . LEU HB3 . 6518 1 1108 . 1 1 90 90 LEU HG H 1 0.83 0.02 . 1 . . . . . LEU HG . 6518 1 1109 . 1 1 90 90 LEU HD11 H 1 0.31 0.02 . 1 . . . . . LEU HD1 . 6518 1 1110 . 1 1 90 90 LEU HD12 H 1 0.31 0.02 . 1 . . . . . LEU HD1 . 6518 1 1111 . 1 1 90 90 LEU HD13 H 1 0.31 0.02 . 1 . . . . . LEU HD1 . 6518 1 1112 . 1 1 90 90 LEU HD21 H 1 -0.12 0.02 . 1 . . . . . LEU HD2 . 6518 1 1113 . 1 1 90 90 LEU HD22 H 1 -0.12 0.02 . 1 . . . . . LEU HD2 . 6518 1 1114 . 1 1 90 90 LEU HD23 H 1 -0.12 0.02 . 1 . . . . . LEU HD2 . 6518 1 1115 . 1 1 90 90 LEU C C 13 176.0 0.2 . 1 . . . . . LEU C . 6518 1 1116 . 1 1 90 90 LEU CA C 13 56.3 0.2 . 1 . . . . . LEU CA . 6518 1 1117 . 1 1 90 90 LEU CB C 13 44.2 0.2 . 1 . . . . . LEU CB . 6518 1 1118 . 1 1 90 90 LEU CG C 13 25.8 0.2 . 1 . . . . . LEU CG . 6518 1 1119 . 1 1 90 90 LEU CD1 C 13 26.6 0.2 . 1 . . . . . LEU CD1 . 6518 1 1120 . 1 1 90 90 LEU CD2 C 13 21.3 0.2 . 1 . . . . . LEU CD2 . 6518 1 1121 . 1 1 90 90 LEU N N 15 120.5 0.2 . 1 . . . . . LEU N . 6518 1 1122 . 1 1 91 91 PHE H H 1 7.63 0.02 . 1 . . . . . PHE H . 6518 1 1123 . 1 1 91 91 PHE HA H 1 4.89 0.02 . 1 . . . . . PHE HA . 6518 1 1124 . 1 1 91 91 PHE HB2 H 1 2.57 0.02 . 2 . . . . . PHE HB2 . 6518 1 1125 . 1 1 91 91 PHE HB3 H 1 3.00 0.02 . 2 . . . . . PHE HB3 . 6518 1 1126 . 1 1 91 91 PHE HD1 H 1 7.07 0.02 . 3 . . . . . PHE HD1 . 6518 1 1127 . 1 1 91 91 PHE CA C 13 55.0 0.2 . 1 . . . . . PHE CA . 6518 1 1128 . 1 1 91 91 PHE CB C 13 40.3 0.2 . 1 . . . . . PHE CB . 6518 1 1129 . 1 1 91 91 PHE CD1 C 13 133.2 0.2 . 3 . . . . . PHE CD1 . 6518 1 1130 . 1 1 91 91 PHE N N 15 114.8 0.2 . 1 . . . . . PHE N . 6518 1 1131 . 1 1 92 92 PRO HA H 1 4.81 0.02 . 1 . . . . . PRO HA . 6518 1 1132 . 1 1 92 92 PRO HB2 H 1 1.76 0.02 . 2 . . . . . PRO HB2 . 6518 1 1133 . 1 1 92 92 PRO HB3 H 1 2.44 0.02 . 2 . . . . . PRO HB3 . 6518 1 1134 . 1 1 92 92 PRO HG2 H 1 1.82 0.02 . 2 . . . . . PRO HG2 . 6518 1 1135 . 1 1 92 92 PRO HG3 H 1 1.92 0.02 . 2 . . . . . PRO HG3 . 6518 1 1136 . 1 1 92 92 PRO HD2 H 1 3.54 0.02 . 2 . . . . . PRO HD2 . 6518 1 1137 . 1 1 92 92 PRO HD3 H 1 3.69 0.02 . 2 . . . . . PRO HD3 . 6518 1 1138 . 1 1 92 92 PRO C C 13 179.1 0.2 . 1 . . . . . PRO C . 6518 1 1139 . 1 1 92 92 PRO CA C 13 64.5 0.2 . 1 . . . . . PRO CA . 6518 1 1140 . 1 1 92 92 PRO CB C 13 32.8 0.2 . 1 . . . . . PRO CB . 6518 1 1141 . 1 1 92 92 PRO CG C 13 27.0 0.2 . 1 . . . . . PRO CG . 6518 1 1142 . 1 1 92 92 PRO CD C 13 50.7 0.2 . 1 . . . . . PRO CD . 6518 1 1143 . 1 1 93 93 TYR H H 1 8.08 0.02 . 1 . . . . . TYR H . 6518 1 1144 . 1 1 93 93 TYR HA H 1 5.03 0.02 . 1 . . . . . TYR HA . 6518 1 1145 . 1 1 93 93 TYR HB2 H 1 2.57 0.02 . 2 . . . . . TYR HB2 . 6518 1 1146 . 1 1 93 93 TYR HB3 H 1 3.43 0.02 . 2 . . . . . TYR HB3 . 6518 1 1147 . 1 1 93 93 TYR HD1 H 1 7.09 0.02 . 3 . . . . . TYR HD1 . 6518 1 1148 . 1 1 93 93 TYR HE1 H 1 6.96 0.02 . 3 . . . . . TYR HE1 . 6518 1 1149 . 1 1 93 93 TYR C C 13 175.9 0.2 . 1 . . . . . TYR C . 6518 1 1150 . 1 1 93 93 TYR CA C 13 55.3 0.2 . 1 . . . . . TYR CA . 6518 1 1151 . 1 1 93 93 TYR CB C 13 36.4 0.2 . 1 . . . . . TYR CB . 6518 1 1152 . 1 1 93 93 TYR CD1 C 13 131.7 0.2 . 3 . . . . . TYR CD1 . 6518 1 1153 . 1 1 93 93 TYR CE1 C 13 118.5 0.2 . 3 . . . . . TYR CE1 . 6518 1 1154 . 1 1 93 93 TYR N N 15 114.7 0.2 . 1 . . . . . TYR N . 6518 1 1155 . 1 1 94 94 GLY H H 1 7.94 0.02 . 1 . . . . . GLY H . 6518 1 1156 . 1 1 94 94 GLY HA2 H 1 3.61 0.02 . 2 . . . . . GLY HA2 . 6518 1 1157 . 1 1 94 94 GLY HA3 H 1 4.57 0.02 . 2 . . . . . GLY HA3 . 6518 1 1158 . 1 1 94 94 GLY CA C 13 44.6 0.2 . 1 . . . . . GLY CA . 6518 1 1159 . 1 1 94 94 GLY N N 15 110.2 0.2 . 1 . . . . . GLY N . 6518 1 1160 . 1 1 95 95 PRO HA H 1 3.93 0.02 . 1 . . . . . PRO HA . 6518 1 1161 . 1 1 95 95 PRO HB2 H 1 1.58 0.02 . 2 . . . . . PRO HB2 . 6518 1 1162 . 1 1 95 95 PRO HB3 H 1 1.97 0.02 . 2 . . . . . PRO HB3 . 6518 1 1163 . 1 1 95 95 PRO HG2 H 1 1.52 0.02 . 2 . . . . . PRO HG2 . 6518 1 1164 . 1 1 95 95 PRO HG3 H 1 1.56 0.02 . 2 . . . . . PRO HG3 . 6518 1 1165 . 1 1 95 95 PRO HD2 H 1 2.70 0.02 . 2 . . . . . PRO HD2 . 6518 1 1166 . 1 1 95 95 PRO HD3 H 1 3.28 0.02 . 2 . . . . . PRO HD3 . 6518 1 1167 . 1 1 95 95 PRO C C 13 176.2 0.2 . 1 . . . . . PRO C . 6518 1 1168 . 1 1 95 95 PRO CA C 13 65.3 0.2 . 1 . . . . . PRO CA . 6518 1 1169 . 1 1 95 95 PRO CB C 13 32.9 0.2 . 1 . . . . . PRO CB . 6518 1 1170 . 1 1 95 95 PRO CG C 13 27.7 0.2 . 1 . . . . . PRO CG . 6518 1 1171 . 1 1 95 95 PRO CD C 13 50.1 0.2 . 1 . . . . . PRO CD . 6518 1 1172 . 1 1 96 96 ALA H H 1 7.87 0.02 . 1 . . . . . ALA H . 6518 1 1173 . 1 1 96 96 ALA HA H 1 4.05 0.02 . 1 . . . . . ALA HA . 6518 1 1174 . 1 1 96 96 ALA HB1 H 1 1.47 0.02 . 1 . . . . . ALA HB . 6518 1 1175 . 1 1 96 96 ALA HB2 H 1 1.47 0.02 . 1 . . . . . ALA HB . 6518 1 1176 . 1 1 96 96 ALA HB3 H 1 1.47 0.02 . 1 . . . . . ALA HB . 6518 1 1177 . 1 1 96 96 ALA C C 13 179.0 0.2 . 1 . . . . . ALA C . 6518 1 1178 . 1 1 96 96 ALA CA C 13 54.6 0.2 . 1 . . . . . ALA CA . 6518 1 1179 . 1 1 96 96 ALA CB C 13 18.9 0.2 . 1 . . . . . ALA CB . 6518 1 1180 . 1 1 96 96 ALA N N 15 117.0 0.2 . 1 . . . . . ALA N . 6518 1 1181 . 1 1 97 97 LYS H H 1 8.36 0.02 . 1 . . . . . LYS H . 6518 1 1182 . 1 1 97 97 LYS HA H 1 3.70 0.02 . 1 . . . . . LYS HA . 6518 1 1183 . 1 1 97 97 LYS HB2 H 1 1.83 0.02 . 2 . . . . . LYS HB2 . 6518 1 1184 . 1 1 97 97 LYS HB3 H 1 1.86 0.02 . 2 . . . . . LYS HB3 . 6518 1 1185 . 1 1 97 97 LYS HG2 H 1 1.43 0.02 . 2 . . . . . LYS HG2 . 6518 1 1186 . 1 1 97 97 LYS HG3 H 1 1.78 0.02 . 2 . . . . . LYS HG3 . 6518 1 1187 . 1 1 97 97 LYS HD2 H 1 1.85 0.02 . 2 . . . . . LYS HD2 . 6518 1 1188 . 1 1 97 97 LYS HD3 H 1 1.87 0.02 . 2 . . . . . LYS HD3 . 6518 1 1189 . 1 1 97 97 LYS HE2 H 1 3.11 0.02 . 2 . . . . . LYS HE2 . 6518 1 1190 . 1 1 97 97 LYS HE3 H 1 3.13 0.02 . 2 . . . . . LYS HE3 . 6518 1 1191 . 1 1 97 97 LYS C C 13 178.8 0.2 . 1 . . . . . LYS C . 6518 1 1192 . 1 1 97 97 LYS CA C 13 60.8 0.2 . 1 . . . . . LYS CA . 6518 1 1193 . 1 1 97 97 LYS CB C 13 33.0 0.2 . 1 . . . . . LYS CB . 6518 1 1194 . 1 1 97 97 LYS CG C 13 29.6 0.2 . 1 . . . . . LYS CG . 6518 1 1195 . 1 1 97 97 LYS CD C 13 26.1 0.2 . 1 . . . . . LYS CD . 6518 1 1196 . 1 1 97 97 LYS CE C 13 42.1 0.2 . 1 . . . . . LYS CE . 6518 1 1197 . 1 1 97 97 LYS N N 15 119.1 0.2 . 1 . . . . . LYS N . 6518 1 1198 . 1 1 98 98 GLN H H 1 8.68 0.02 . 1 . . . . . GLN H . 6518 1 1199 . 1 1 98 98 GLN HA H 1 3.84 0.02 . 1 . . . . . GLN HA . 6518 1 1200 . 1 1 98 98 GLN HB2 H 1 1.72 0.02 . 2 . . . . . GLN HB2 . 6518 1 1201 . 1 1 98 98 GLN HB3 H 1 1.60 0.02 . 2 . . . . . GLN HB3 . 6518 1 1202 . 1 1 98 98 GLN HG2 H 1 1.56 0.02 . 2 . . . . . GLN HG2 . 6518 1 1203 . 1 1 98 98 GLN HG3 H 1 2.10 0.02 . 2 . . . . . GLN HG3 . 6518 1 1204 . 1 1 98 98 GLN HE21 H 1 6.34 0.02 . 2 . . . . . GLN HE21 . 6518 1 1205 . 1 1 98 98 GLN HE22 H 1 8.61 0.02 . 2 . . . . . GLN HE22 . 6518 1 1206 . 1 1 98 98 GLN C C 13 175.9 0.2 . 1 . . . . . GLN C . 6518 1 1207 . 1 1 98 98 GLN CA C 13 58.6 0.2 . 1 . . . . . GLN CA . 6518 1 1208 . 1 1 98 98 GLN CB C 13 30.8 0.2 . 1 . . . . . GLN CB . 6518 1 1209 . 1 1 98 98 GLN CG C 13 35.1 0.2 . 1 . . . . . GLN CG . 6518 1 1210 . 1 1 98 98 GLN CD C 13 178.6 0.2 . 1 . . . . . GLN CD . 6518 1 1211 . 1 1 98 98 GLN N N 15 118.7 0.2 . 1 . . . . . GLN N . 6518 1 1212 . 1 1 98 98 GLN NE2 N 15 113.5 0.2 . 1 . . . . . GLN NE2 . 6518 1 1213 . 1 1 99 99 ALA H H 1 6.79 0.02 . 1 . . . . . ALA H . 6518 1 1214 . 1 1 99 99 ALA HA H 1 3.13 0.02 . 1 . . . . . ALA HA . 6518 1 1215 . 1 1 99 99 ALA HB1 H 1 0.28 0.02 . 1 . . . . . ALA HB . 6518 1 1216 . 1 1 99 99 ALA HB2 H 1 0.28 0.02 . 1 . . . . . ALA HB . 6518 1 1217 . 1 1 99 99 ALA HB3 H 1 0.28 0.02 . 1 . . . . . ALA HB . 6518 1 1218 . 1 1 99 99 ALA C C 13 179.6 0.2 . 1 . . . . . ALA C . 6518 1 1219 . 1 1 99 99 ALA CA C 13 56.2 0.2 . 1 . . . . . ALA CA . 6518 1 1220 . 1 1 99 99 ALA CB C 13 17.3 0.2 . 1 . . . . . ALA CB . 6518 1 1221 . 1 1 99 99 ALA N N 15 118.0 0.2 . 1 . . . . . ALA N . 6518 1 1222 . 1 1 100 100 CYS H H 1 7.63 0.02 . 1 . . . . . CYS H . 6518 1 1223 . 1 1 100 100 CYS HA H 1 3.81 0.02 . 1 . . . . . CYS HA . 6518 1 1224 . 1 1 100 100 CYS HB2 H 1 2.79 0.02 . 2 . . . . . CYS HB2 . 6518 1 1225 . 1 1 100 100 CYS HB3 H 1 3.12 0.02 . 2 . . . . . CYS HB3 . 6518 1 1226 . 1 1 100 100 CYS C C 13 175.5 0.2 . 1 . . . . . CYS C . 6518 1 1227 . 1 1 100 100 CYS CA C 13 65.3 0.2 . 1 . . . . . CYS CA . 6518 1 1228 . 1 1 100 100 CYS CB C 13 26.8 0.2 . 1 . . . . . CYS CB . 6518 1 1229 . 1 1 100 100 CYS N N 15 110.6 0.2 . 1 . . . . . CYS N . 6518 1 1230 . 1 1 101 101 ARG H H 1 6.65 0.02 . 1 . . . . . ARG H . 6518 1 1231 . 1 1 101 101 ARG HA H 1 3.76 0.02 . 1 . . . . . ARG HA . 6518 1 1232 . 1 1 101 101 ARG HB2 H 1 1.20 0.02 . 2 . . . . . ARG HB2 . 6518 1 1233 . 1 1 101 101 ARG HB3 H 1 1.94 0.02 . 2 . . . . . ARG HB3 . 6518 1 1234 . 1 1 101 101 ARG HG2 H 1 -0.05 0.02 . 2 . . . . . ARG HG2 . 6518 1 1235 . 1 1 101 101 ARG HG3 H 1 1.69 0.02 . 2 . . . . . ARG HG3 . 6518 1 1236 . 1 1 101 101 ARG HD2 H 1 2.20 0.02 . 2 . . . . . ARG HD2 . 6518 1 1237 . 1 1 101 101 ARG HD3 H 1 2.84 0.02 . 2 . . . . . ARG HD3 . 6518 1 1238 . 1 1 101 101 ARG HE H 1 8.21 0.02 . 1 . . . . . ARG HE . 6518 1 1239 . 1 1 101 101 ARG C C 13 180.4 0.2 . 1 . . . . . ARG C . 6518 1 1240 . 1 1 101 101 ARG CA C 13 60.1 0.2 . 1 . . . . . ARG CA . 6518 1 1241 . 1 1 101 101 ARG CB C 13 31.8 0.2 . 1 . . . . . ARG CB . 6518 1 1242 . 1 1 101 101 ARG CG C 13 28.5 0.2 . 1 . . . . . ARG CG . 6518 1 1243 . 1 1 101 101 ARG CD C 13 44.3 0.2 . 1 . . . . . ARG CD . 6518 1 1244 . 1 1 101 101 ARG N N 15 119.6 0.2 . 1 . . . . . ARG N . 6518 1 1245 . 1 1 101 101 ARG NE N 15 84.2 0.2 . 1 . . . . . ARG NE . 6518 1 1246 . 1 1 102 102 PHE H H 1 7.90 0.02 . 1 . . . . . PHE H . 6518 1 1247 . 1 1 102 102 PHE HA H 1 5.08 0.02 . 1 . . . . . PHE HA . 6518 1 1248 . 1 1 102 102 PHE HB2 H 1 3.14 0.02 . 2 . . . . . PHE HB2 . 6518 1 1249 . 1 1 102 102 PHE HB3 H 1 3.19 0.02 . 2 . . . . . PHE HB3 . 6518 1 1250 . 1 1 102 102 PHE HD1 H 1 7.06 0.02 . 3 . . . . . PHE HD1 . 6518 1 1251 . 1 1 102 102 PHE HE1 H 1 7.22 0.02 . 3 . . . . . PHE HE1 . 6518 1 1252 . 1 1 102 102 PHE HZ H 1 7.42 0.02 . 1 . . . . . PHE HZ . 6518 1 1253 . 1 1 102 102 PHE C C 13 176.6 0.2 . 1 . . . . . PHE C . 6518 1 1254 . 1 1 102 102 PHE CA C 13 56.9 0.2 . 1 . . . . . PHE CA . 6518 1 1255 . 1 1 102 102 PHE CB C 13 37.9 0.2 . 1 . . . . . PHE CB . 6518 1 1256 . 1 1 102 102 PHE CD1 C 13 129.8 0.2 . 3 . . . . . PHE CD1 . 6518 1 1257 . 1 1 102 102 PHE CE1 C 13 131.0 0.2 . 3 . . . . . PHE CE1 . 6518 1 1258 . 1 1 102 102 PHE CZ C 13 129.1 0.2 . 1 . . . . . PHE CZ . 6518 1 1259 . 1 1 102 102 PHE N N 15 116.9 0.2 . 1 . . . . . PHE N . 6518 1 1260 . 1 1 103 103 ALA H H 1 7.87 0.02 . 1 . . . . . ALA H . 6518 1 1261 . 1 1 103 103 ALA HA H 1 3.90 0.02 . 1 . . . . . ALA HA . 6518 1 1262 . 1 1 103 103 ALA HB1 H 1 1.29 0.02 . 1 . . . . . ALA HB . 6518 1 1263 . 1 1 103 103 ALA HB2 H 1 1.29 0.02 . 1 . . . . . ALA HB . 6518 1 1264 . 1 1 103 103 ALA HB3 H 1 1.29 0.02 . 1 . . . . . ALA HB . 6518 1 1265 . 1 1 103 103 ALA C C 13 174.3 0.2 . 1 . . . . . ALA C . 6518 1 1266 . 1 1 103 103 ALA CA C 13 51.7 0.2 . 1 . . . . . ALA CA . 6518 1 1267 . 1 1 103 103 ALA CB C 13 20.8 0.2 . 1 . . . . . ALA CB . 6518 1 1268 . 1 1 103 103 ALA N N 15 116.6 0.2 . 1 . . . . . ALA N . 6518 1 1269 . 1 1 104 104 GLY H H 1 7.91 0.02 . 1 . . . . . GLY H . 6518 1 1270 . 1 1 104 104 GLY HA2 H 1 3.74 0.02 . 2 . . . . . GLY HA2 . 6518 1 1271 . 1 1 104 104 GLY HA3 H 1 3.86 0.02 . 2 . . . . . GLY HA3 . 6518 1 1272 . 1 1 104 104 GLY C C 13 172.9 0.2 . 1 . . . . . GLY C . 6518 1 1273 . 1 1 104 104 GLY CA C 13 47.6 0.2 . 1 . . . . . GLY CA . 6518 1 1274 . 1 1 104 104 GLY N N 15 103.8 0.2 . 1 . . . . . GLY N . 6518 1 1275 . 1 1 105 105 LEU H H 1 7.75 0.02 . 1 . . . . . LEU H . 6518 1 1276 . 1 1 105 105 LEU HA H 1 4.09 0.02 . 1 . . . . . LEU HA . 6518 1 1277 . 1 1 105 105 LEU HB2 H 1 1.41 0.02 . 2 . . . . . LEU HB2 . 6518 1 1278 . 1 1 105 105 LEU HB3 H 1 1.46 0.02 . 2 . . . . . LEU HB3 . 6518 1 1279 . 1 1 105 105 LEU HG H 1 1.23 0.02 . 1 . . . . . LEU HG . 6518 1 1280 . 1 1 105 105 LEU HD11 H 1 0.66 0.02 . 1 . . . . . LEU HD1 . 6518 1 1281 . 1 1 105 105 LEU HD12 H 1 0.66 0.02 . 1 . . . . . LEU HD1 . 6518 1 1282 . 1 1 105 105 LEU HD13 H 1 0.66 0.02 . 1 . . . . . LEU HD1 . 6518 1 1283 . 1 1 105 105 LEU HD21 H 1 0.51 0.02 . 1 . . . . . LEU HD2 . 6518 1 1284 . 1 1 105 105 LEU HD22 H 1 0.51 0.02 . 1 . . . . . LEU HD2 . 6518 1 1285 . 1 1 105 105 LEU HD23 H 1 0.51 0.02 . 1 . . . . . LEU HD2 . 6518 1 1286 . 1 1 105 105 LEU CA C 13 52.8 0.2 . 1 . . . . . LEU CA . 6518 1 1287 . 1 1 105 105 LEU CB C 13 41.6 0.2 . 1 . . . . . LEU CB . 6518 1 1288 . 1 1 105 105 LEU CG C 13 28.6 0.2 . 1 . . . . . LEU CG . 6518 1 1289 . 1 1 105 105 LEU CD1 C 13 25.0 0.2 . 1 . . . . . LEU CD1 . 6518 1 1290 . 1 1 105 105 LEU CD2 C 13 23.9 0.2 . 1 . . . . . LEU CD2 . 6518 1 1291 . 1 1 105 105 LEU N N 15 120.2 0.2 . 1 . . . . . LEU N . 6518 1 1292 . 1 1 106 106 PRO HA H 1 4.40 0.02 . 1 . . . . . PRO HA . 6518 1 1293 . 1 1 106 106 PRO HB2 H 1 1.71 0.02 . 2 . . . . . PRO HB2 . 6518 1 1294 . 1 1 106 106 PRO HB3 H 1 2.21 0.02 . 2 . . . . . PRO HB3 . 6518 1 1295 . 1 1 106 106 PRO HG2 H 1 1.92 0.02 . 2 . . . . . PRO HG2 . 6518 1 1296 . 1 1 106 106 PRO HG3 H 1 1.96 0.02 . 2 . . . . . PRO HG3 . 6518 1 1297 . 1 1 106 106 PRO HD2 H 1 2.97 0.02 . 2 . . . . . PRO HD2 . 6518 1 1298 . 1 1 106 106 PRO HD3 H 1 3.11 0.02 . 2 . . . . . PRO HD3 . 6518 1 1299 . 1 1 106 106 PRO C C 13 176.0 0.2 . 1 . . . . . PRO C . 6518 1 1300 . 1 1 106 106 PRO CA C 13 61.4 0.2 . 1 . . . . . PRO CA . 6518 1 1301 . 1 1 106 106 PRO CB C 13 32.1 0.2 . 1 . . . . . PRO CB . 6518 1 1302 . 1 1 106 106 PRO CG C 13 27.3 0.2 . 1 . . . . . PRO CG . 6518 1 1303 . 1 1 106 106 PRO CD C 13 49.8 0.2 . 1 . . . . . PRO CD . 6518 1 1304 . 1 1 107 107 LYS H H 1 7.28 0.02 . 1 . . . . . LYS H . 6518 1 1305 . 1 1 107 107 LYS HA H 1 3.51 0.02 . 1 . . . . . LYS HA . 6518 1 1306 . 1 1 107 107 LYS HB2 H 1 0.31 0.02 . 2 . . . . . LYS HB2 . 6518 1 1307 . 1 1 107 107 LYS HB3 H 1 1.05 0.02 . 2 . . . . . LYS HB3 . 6518 1 1308 . 1 1 107 107 LYS HG2 H 1 1.06 0.02 . 2 . . . . . LYS HG2 . 6518 1 1309 . 1 1 107 107 LYS HG3 H 1 1.15 0.02 . 2 . . . . . LYS HG3 . 6518 1 1310 . 1 1 107 107 LYS HD2 H 1 1.37 0.02 . 2 . . . . . LYS HD2 . 6518 1 1311 . 1 1 107 107 LYS HD3 H 1 1.47 0.02 . 2 . . . . . LYS HD3 . 6518 1 1312 . 1 1 107 107 LYS HE2 H 1 2.82 0.02 . 2 . . . . . LYS HE2 . 6518 1 1313 . 1 1 107 107 LYS HE3 H 1 2.77 0.02 . 2 . . . . . LYS HE3 . 6518 1 1314 . 1 1 107 107 LYS CA C 13 54.7 0.2 . 1 . . . . . LYS CA . 6518 1 1315 . 1 1 107 107 LYS CB C 13 32.8 0.2 . 1 . . . . . LYS CB . 6518 1 1316 . 1 1 107 107 LYS CG C 13 23.9 0.2 . 1 . . . . . LYS CG . 6518 1 1317 . 1 1 107 107 LYS CD C 13 29.9 0.2 . 1 . . . . . LYS CD . 6518 1 1318 . 1 1 107 107 LYS CE C 13 42.1 0.2 . 1 . . . . . LYS CE . 6518 1 1319 . 1 1 107 107 LYS N N 15 117.4 0.2 . 1 . . . . . LYS N . 6518 1 1320 . 1 1 108 108 PRO HA H 1 4.39 0.02 . 1 . . . . . PRO HA . 6518 1 1321 . 1 1 108 108 PRO HB2 H 1 1.67 0.02 . 2 . . . . . PRO HB2 . 6518 1 1322 . 1 1 108 108 PRO HB3 H 1 1.98 0.02 . 2 . . . . . PRO HB3 . 6518 1 1323 . 1 1 108 108 PRO HG2 H 1 1.73 0.02 . 2 . . . . . PRO HG2 . 6518 1 1324 . 1 1 108 108 PRO HG3 H 1 1.79 0.02 . 2 . . . . . PRO HG3 . 6518 1 1325 . 1 1 108 108 PRO HD2 H 1 3.43 0.02 . 2 . . . . . PRO HD2 . 6518 1 1326 . 1 1 108 108 PRO HD3 H 1 3.79 0.02 . 2 . . . . . PRO HD3 . 6518 1 1327 . 1 1 108 108 PRO C C 13 177.0 0.2 . 1 . . . . . PRO C . 6518 1 1328 . 1 1 108 108 PRO CA C 13 62.9 0.2 . 1 . . . . . PRO CA . 6518 1 1329 . 1 1 108 108 PRO CB C 13 31.9 0.2 . 1 . . . . . PRO CB . 6518 1 1330 . 1 1 108 108 PRO CG C 13 27.9 0.2 . 1 . . . . . PRO CG . 6518 1 1331 . 1 1 108 108 PRO CD C 13 50.7 0.2 . 1 . . . . . PRO CD . 6518 1 1332 . 1 1 109 109 THR H H 1 8.40 0.02 . 1 . . . . . THR H . 6518 1 1333 . 1 1 109 109 THR HA H 1 4.26 0.02 . 1 . . . . . THR HA . 6518 1 1334 . 1 1 109 109 THR HB H 1 4.24 0.02 . 1 . . . . . THR HB . 6518 1 1335 . 1 1 109 109 THR HG21 H 1 1.27 0.02 . 1 . . . . . THR HG2 . 6518 1 1336 . 1 1 109 109 THR HG22 H 1 1.27 0.02 . 1 . . . . . THR HG2 . 6518 1 1337 . 1 1 109 109 THR HG23 H 1 1.27 0.02 . 1 . . . . . THR HG2 . 6518 1 1338 . 1 1 109 109 THR CA C 13 62.6 0.2 . 1 . . . . . THR CA . 6518 1 1339 . 1 1 109 109 THR CB C 13 70.0 0.2 . 1 . . . . . THR CB . 6518 1 1340 . 1 1 109 109 THR CG2 C 13 21.5 0.2 . 1 . . . . . THR CG2 . 6518 1 1341 . 1 1 109 109 THR N N 15 116.2 0.2 . 1 . . . . . THR N . 6518 1 1342 . 1 1 111 111 CYS HA H 1 4.62 0.02 . 1 . . . . . CYS HA . 6518 1 1343 . 1 1 111 111 CYS HB2 H 1 2.92 0.02 . 2 . . . . . CYS HB2 . 6518 1 1344 . 1 1 111 111 CYS HB3 H 1 2.98 0.02 . 2 . . . . . CYS HB3 . 6518 1 1345 . 1 1 111 111 CYS C C 13 175.3 0.2 . 1 . . . . . CYS C . 6518 1 1346 . 1 1 111 111 CYS CA C 13 58.8 0.2 . 1 . . . . . CYS CA . 6518 1 1347 . 1 1 111 111 CYS CB C 13 28.7 0.2 . 1 . . . . . CYS CB . 6518 1 1348 . 1 1 112 112 VAL H H 1 7.90 0.02 . 1 . . . . . VAL H . 6518 1 1349 . 1 1 112 112 VAL HA H 1 4.07 0.02 . 1 . . . . . VAL HA . 6518 1 1350 . 1 1 112 112 VAL HB H 1 2.13 0.02 . 1 . . . . . VAL HB . 6518 1 1351 . 1 1 112 112 VAL HG11 H 1 0.93 0.02 . 2 . . . . . VAL HG1 . 6518 1 1352 . 1 1 112 112 VAL HG12 H 1 0.93 0.02 . 2 . . . . . VAL HG1 . 6518 1 1353 . 1 1 112 112 VAL HG13 H 1 0.93 0.02 . 2 . . . . . VAL HG1 . 6518 1 1354 . 1 1 112 112 VAL HG21 H 1 0.95 0.02 . 2 . . . . . VAL HG2 . 6518 1 1355 . 1 1 112 112 VAL HG22 H 1 0.95 0.02 . 2 . . . . . VAL HG2 . 6518 1 1356 . 1 1 112 112 VAL HG23 H 1 0.95 0.02 . 2 . . . . . VAL HG2 . 6518 1 1357 . 1 1 112 112 VAL CA C 13 64.0 0.2 . 1 . . . . . VAL CA . 6518 1 1358 . 1 1 112 112 VAL CB C 13 33.4 0.2 . 1 . . . . . VAL CB . 6518 1 1359 . 1 1 112 112 VAL CG1 C 13 20.5 0.2 . 2 . . . . . VAL CG1 . 6518 1 1360 . 1 1 112 112 VAL CG2 C 13 21.8 0.2 . 2 . . . . . VAL CG2 . 6518 1 1361 . 1 1 112 112 VAL N N 15 126.2 0.2 . 1 . . . . . VAL N . 6518 1 stop_ save_