data_19751 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19751 _Entry.Title ; Solution structure of ORF2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-01-24 _Entry.Accession_date 2014-01-24 _Entry.Last_release_date 2015-03-23 _Entry.Original_release_date 2015-03-23 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 20 STRUCTURES' _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 Takuya Miyakawa . . . 19751 2 Hidetomo Kobayashi . . . 19751 3 Mitsuru Tashiro . . . 19751 4 Hiroyasu Yamanaka . . . 19751 5 Masaru Tanokura . . . 19751 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19751 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID PROTEIN . 19751 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19751 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 416 19751 '15N chemical shifts' 119 19751 '1H chemical shifts' 794 19751 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 . . 2015-03-23 2014-01-24 original author . 19751 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MK4 'BMRB Entry Tracking System' 19751 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19751 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25784551 _Citation.Full_citation . _Citation.Title 'Structural Basis for Action of the External Chaperone for a Propeptide-deficient Serine Protease from Aeromonas sobria' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _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 2015 _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 Hidetomo Kobayashi . . . 19751 1 2 Toru Yoshida . . . 19751 1 3 Takuya Miyakawa . . . 19751 1 4 Mitsuru Tashiro . . . 19751 1 5 Keinosuke Okamoto . . . 19751 1 6 Hiroyasu Yamanaka . . . 19751 1 7 Masaru Tanokura . . . 19751 1 8 Hideaki Tsuge . . . 19751 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19751 _Assembly.ID 1 _Assembly.Name ORF2 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 ORF2 1 $entity A . yes native no no . . . 19751 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 19751 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPVQESVTMDGKQYSTIEVN GQTYLIPDNGSKKRVARSLD SKVPQQTLRRGDVLMQGAAS PELTVSGTLLVEADDASAKA LATRHGLNFKQSSGGIALLE AKPGTDLNAIATKLKSEGVN VQIELSGAEQQPK ; _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 133 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13751.540 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2MK4 . "Solution Structure Of Orf2" . . . . . 100.00 133 100.00 100.00 1.01e-88 . . . . 19751 1 2 no PDB 3WQB . "Crystal Structure Of Aeromonas Sobria Serine Protease (asp) And The Chaperone (orf2) Complex" . . . . . 100.00 148 98.50 98.50 2.65e-86 . . . . 19751 1 3 no GB AEB49524 . "hypothetical protein B565_1489 [Aeromonas veronii B565]" . . . . . 97.74 152 96.92 99.23 2.87e-83 . . . . 19751 1 4 no GB AHH32619 . "hypothetical protein [Aeromonas sobria]" . . . . . 97.74 152 100.00 100.00 4.29e-86 . . . . 19751 1 5 no GB EKB12965 . "hypothetical protein HMPREF1169_02191 [Aeromonas veronii AER397]" . . . . . 97.74 152 96.92 99.23 2.87e-83 . . . . 19751 1 6 no GB EKB17107 . "hypothetical protein HMPREF1167_00400 [Aeromonas veronii AER39]" . . . . . 97.74 152 96.92 98.46 6.94e-83 . . . . 19751 1 7 no GB EKB21458 . "hypothetical protein HMPREF1170_03001 [Aeromonas veronii AMC35]" . . . . . 97.74 152 96.92 98.46 5.34e-83 . . . . 19751 1 8 no REF WP_005333882 . "hypothetical protein [Aeromonas veronii]" . . . . . 97.74 152 96.92 98.46 6.94e-83 . . . . 19751 1 9 no REF WP_005352955 . "hypothetical protein [Aeromonas veronii]" . . . . . 97.74 152 96.92 99.23 2.87e-83 . . . . 19751 1 10 no REF WP_005361466 . "hypothetical protein [Aeromonas veronii]" . . . . . 97.74 152 96.92 98.46 5.34e-83 . . . . 19751 1 11 no REF WP_019445376 . "hypothetical protein [Aeromonas sp. 159]" . . . . . 97.74 152 98.46 100.00 2.57e-85 . . . . 19751 1 12 no REF WP_021229060 . "hypothetical protein [Aeromonas veronii]" . . . . . 97.74 152 99.23 99.23 2.11e-85 . . . . 19751 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 -2 GLY . 19751 1 2 -1 PRO . 19751 1 3 0 VAL . 19751 1 4 1 GLN . 19751 1 5 2 GLU . 19751 1 6 3 SER . 19751 1 7 4 VAL . 19751 1 8 5 THR . 19751 1 9 6 MET . 19751 1 10 7 ASP . 19751 1 11 8 GLY . 19751 1 12 9 LYS . 19751 1 13 10 GLN . 19751 1 14 11 TYR . 19751 1 15 12 SER . 19751 1 16 13 THR . 19751 1 17 14 ILE . 19751 1 18 15 GLU . 19751 1 19 16 VAL . 19751 1 20 17 ASN . 19751 1 21 18 GLY . 19751 1 22 19 GLN . 19751 1 23 20 THR . 19751 1 24 21 TYR . 19751 1 25 22 LEU . 19751 1 26 23 ILE . 19751 1 27 24 PRO . 19751 1 28 25 ASP . 19751 1 29 26 ASN . 19751 1 30 27 GLY . 19751 1 31 28 SER . 19751 1 32 29 LYS . 19751 1 33 30 LYS . 19751 1 34 31 ARG . 19751 1 35 32 VAL . 19751 1 36 33 ALA . 19751 1 37 34 ARG . 19751 1 38 35 SER . 19751 1 39 36 LEU . 19751 1 40 37 ASP . 19751 1 41 38 SER . 19751 1 42 39 LYS . 19751 1 43 40 VAL . 19751 1 44 41 PRO . 19751 1 45 42 GLN . 19751 1 46 43 GLN . 19751 1 47 44 THR . 19751 1 48 45 LEU . 19751 1 49 46 ARG . 19751 1 50 47 ARG . 19751 1 51 48 GLY . 19751 1 52 49 ASP . 19751 1 53 50 VAL . 19751 1 54 51 LEU . 19751 1 55 52 MET . 19751 1 56 53 GLN . 19751 1 57 54 GLY . 19751 1 58 55 ALA . 19751 1 59 56 ALA . 19751 1 60 57 SER . 19751 1 61 58 PRO . 19751 1 62 59 GLU . 19751 1 63 60 LEU . 19751 1 64 61 THR . 19751 1 65 62 VAL . 19751 1 66 63 SER . 19751 1 67 64 GLY . 19751 1 68 65 THR . 19751 1 69 66 LEU . 19751 1 70 67 LEU . 19751 1 71 68 VAL . 19751 1 72 69 GLU . 19751 1 73 70 ALA . 19751 1 74 71 ASP . 19751 1 75 72 ASP . 19751 1 76 73 ALA . 19751 1 77 74 SER . 19751 1 78 75 ALA . 19751 1 79 76 LYS . 19751 1 80 77 ALA . 19751 1 81 78 LEU . 19751 1 82 79 ALA . 19751 1 83 80 THR . 19751 1 84 81 ARG . 19751 1 85 82 HIS . 19751 1 86 83 GLY . 19751 1 87 84 LEU . 19751 1 88 85 ASN . 19751 1 89 86 PHE . 19751 1 90 87 LYS . 19751 1 91 88 GLN . 19751 1 92 89 SER . 19751 1 93 90 SER . 19751 1 94 91 GLY . 19751 1 95 92 GLY . 19751 1 96 93 ILE . 19751 1 97 94 ALA . 19751 1 98 95 LEU . 19751 1 99 96 LEU . 19751 1 100 97 GLU . 19751 1 101 98 ALA . 19751 1 102 99 LYS . 19751 1 103 100 PRO . 19751 1 104 101 GLY . 19751 1 105 102 THR . 19751 1 106 103 ASP . 19751 1 107 104 LEU . 19751 1 108 105 ASN . 19751 1 109 106 ALA . 19751 1 110 107 ILE . 19751 1 111 108 ALA . 19751 1 112 109 THR . 19751 1 113 110 LYS . 19751 1 114 111 LEU . 19751 1 115 112 LYS . 19751 1 116 113 SER . 19751 1 117 114 GLU . 19751 1 118 115 GLY . 19751 1 119 116 VAL . 19751 1 120 117 ASN . 19751 1 121 118 VAL . 19751 1 122 119 GLN . 19751 1 123 120 ILE . 19751 1 124 121 GLU . 19751 1 125 122 LEU . 19751 1 126 123 SER . 19751 1 127 124 GLY . 19751 1 128 125 ALA . 19751 1 129 126 GLU . 19751 1 130 127 GLN . 19751 1 131 128 GLN . 19751 1 132 129 PRO . 19751 1 133 130 LYS . 19751 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 19751 1 . PRO 2 2 19751 1 . VAL 3 3 19751 1 . GLN 4 4 19751 1 . GLU 5 5 19751 1 . SER 6 6 19751 1 . VAL 7 7 19751 1 . THR 8 8 19751 1 . MET 9 9 19751 1 . ASP 10 10 19751 1 . GLY 11 11 19751 1 . LYS 12 12 19751 1 . GLN 13 13 19751 1 . TYR 14 14 19751 1 . SER 15 15 19751 1 . THR 16 16 19751 1 . ILE 17 17 19751 1 . GLU 18 18 19751 1 . VAL 19 19 19751 1 . ASN 20 20 19751 1 . GLY 21 21 19751 1 . GLN 22 22 19751 1 . THR 23 23 19751 1 . TYR 24 24 19751 1 . LEU 25 25 19751 1 . ILE 26 26 19751 1 . PRO 27 27 19751 1 . ASP 28 28 19751 1 . ASN 29 29 19751 1 . GLY 30 30 19751 1 . SER 31 31 19751 1 . LYS 32 32 19751 1 . LYS 33 33 19751 1 . ARG 34 34 19751 1 . VAL 35 35 19751 1 . ALA 36 36 19751 1 . ARG 37 37 19751 1 . SER 38 38 19751 1 . LEU 39 39 19751 1 . ASP 40 40 19751 1 . SER 41 41 19751 1 . LYS 42 42 19751 1 . VAL 43 43 19751 1 . PRO 44 44 19751 1 . GLN 45 45 19751 1 . GLN 46 46 19751 1 . THR 47 47 19751 1 . LEU 48 48 19751 1 . ARG 49 49 19751 1 . ARG 50 50 19751 1 . GLY 51 51 19751 1 . ASP 52 52 19751 1 . VAL 53 53 19751 1 . LEU 54 54 19751 1 . MET 55 55 19751 1 . GLN 56 56 19751 1 . GLY 57 57 19751 1 . ALA 58 58 19751 1 . ALA 59 59 19751 1 . SER 60 60 19751 1 . PRO 61 61 19751 1 . GLU 62 62 19751 1 . LEU 63 63 19751 1 . THR 64 64 19751 1 . VAL 65 65 19751 1 . SER 66 66 19751 1 . GLY 67 67 19751 1 . THR 68 68 19751 1 . LEU 69 69 19751 1 . LEU 70 70 19751 1 . VAL 71 71 19751 1 . GLU 72 72 19751 1 . ALA 73 73 19751 1 . ASP 74 74 19751 1 . ASP 75 75 19751 1 . ALA 76 76 19751 1 . SER 77 77 19751 1 . ALA 78 78 19751 1 . LYS 79 79 19751 1 . ALA 80 80 19751 1 . LEU 81 81 19751 1 . ALA 82 82 19751 1 . THR 83 83 19751 1 . ARG 84 84 19751 1 . HIS 85 85 19751 1 . GLY 86 86 19751 1 . LEU 87 87 19751 1 . ASN 88 88 19751 1 . PHE 89 89 19751 1 . LYS 90 90 19751 1 . GLN 91 91 19751 1 . SER 92 92 19751 1 . SER 93 93 19751 1 . GLY 94 94 19751 1 . GLY 95 95 19751 1 . ILE 96 96 19751 1 . ALA 97 97 19751 1 . LEU 98 98 19751 1 . LEU 99 99 19751 1 . GLU 100 100 19751 1 . ALA 101 101 19751 1 . LYS 102 102 19751 1 . PRO 103 103 19751 1 . GLY 104 104 19751 1 . THR 105 105 19751 1 . ASP 106 106 19751 1 . LEU 107 107 19751 1 . ASN 108 108 19751 1 . ALA 109 109 19751 1 . ILE 110 110 19751 1 . ALA 111 111 19751 1 . THR 112 112 19751 1 . LYS 113 113 19751 1 . LEU 114 114 19751 1 . LYS 115 115 19751 1 . SER 116 116 19751 1 . GLU 117 117 19751 1 . GLY 118 118 19751 1 . VAL 119 119 19751 1 . ASN 120 120 19751 1 . VAL 121 121 19751 1 . GLN 122 122 19751 1 . ILE 123 123 19751 1 . GLU 124 124 19751 1 . LEU 125 125 19751 1 . SER 126 126 19751 1 . GLY 127 127 19751 1 . ALA 128 128 19751 1 . GLU 129 129 19751 1 . GLN 130 130 19751 1 . GLN 131 131 19751 1 . PRO 132 132 19751 1 . LYS 133 133 19751 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 19751 _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 $entity . 646 organism . 'Aeromonas sobria' g-proteobacteria . . Bacteria . Aeromonas sobria . . . . . . . . . . . . . . . . . . . . . 19751 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 19751 _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 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET-11 . . . . . . 19751 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19751 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 ORF2 '[U-99% 13C; U-99% 15N]' . . 1 $entity . . 0.9 . . mM . . . . 19751 1 2 MOPS 'natural abundance' . . . . . . 18 . . mM . . . . 19751 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19751 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19751 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19751 _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 7.0 . pH 19751 1 pressure 1 . atm 19751 1 temperature 298 . K 19751 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 19751 _Software.ID 1 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 19751 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19751 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19751 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19751 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19751 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19751 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 19751 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19751 3 'data analysis' 19751 3 'peak picking' 19751 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19751 _Software.ID 4 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 19751 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 19751 4 'peak picking' 19751 4 refinement 19751 4 'structure solution' 19751 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19751 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19751 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 19751 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 19751 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19751 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19751 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19751 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19751 1 5 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19751 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19751 1 7 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19751 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19751 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19751 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19751 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19751 _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 water protons . . . . ppm 4.67 internal indirect 0.2515 . . . . . . . . . 19751 1 H 1 water protons . . . . ppm 4.67 internal direct 1.0 . . . . . . . . . 19751 1 N 15 water protons . . . . ppm 4.67 internal indirect 0.1013 . . . . . . . . . 19751 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19751 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 19751 1 2 '3D CBCA(CO)NH' . . . 19751 1 3 '3D HNCACB' . . . 19751 1 4 '3D HNCO' . . . 19751 1 5 '3D C(CO)NH' . . . 19751 1 6 '3D HBHA(CO)NH' . . . 19751 1 7 '3D H(CCO)NH' . . . 19751 1 8 '3D HCCH-TOCSY' . . . 19751 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 4 4 GLN H H 1 8.193 . . . . . . A 1 GLN H . 19751 1 2 . 1 1 4 4 GLN HA H 1 4.384 . . . . . . A 1 GLN HA . 19751 1 3 . 1 1 4 4 GLN HB2 H 1 2.103 . . . . . . A 1 GLN HB2 . 19751 1 4 . 1 1 4 4 GLN HB3 H 1 1.988 . . . . . . A 1 GLN HB3 . 19751 1 5 . 1 1 4 4 GLN HG2 H 1 2.343 . . . . . . A 1 GLN HG2 . 19751 1 6 . 1 1 4 4 GLN HG3 H 1 2.343 . . . . . . A 1 GLN HG3 . 19751 1 7 . 1 1 4 4 GLN CA C 13 55.875 . . . . . . A 1 GLN CA . 19751 1 8 . 1 1 4 4 GLN CB C 13 29.731 . . . . . . A 1 GLN CB . 19751 1 9 . 1 1 4 4 GLN CG C 13 33.852 . . . . . . A 1 GLN CG . 19751 1 10 . 1 1 4 4 GLN N N 15 119.674 . . . . . . A 1 GLN N . 19751 1 11 . 1 1 5 5 GLU H H 1 8.617 . . . . . . A 2 GLU H . 19751 1 12 . 1 1 5 5 GLU HA H 1 4.235 . . . . . . A 2 GLU HA . 19751 1 13 . 1 1 5 5 GLU HB2 H 1 1.932 . . . . . . A 2 GLU HB2 . 19751 1 14 . 1 1 5 5 GLU HB3 H 1 2.027 . . . . . . A 2 GLU HB3 . 19751 1 15 . 1 1 5 5 GLU HG2 H 1 2.252 . . . . . . A 2 GLU HG2 . 19751 1 16 . 1 1 5 5 GLU HG3 H 1 2.252 . . . . . . A 2 GLU HG3 . 19751 1 17 . 1 1 5 5 GLU C C 13 175.712 . . . . . . A 2 GLU C . 19751 1 18 . 1 1 5 5 GLU CA C 13 56.632 . . . . . . A 2 GLU CA . 19751 1 19 . 1 1 5 5 GLU CB C 13 29.971 . . . . . . A 2 GLU CB . 19751 1 20 . 1 1 5 5 GLU CG C 13 36.246 . . . . . . A 2 GLU CG . 19751 1 21 . 1 1 5 5 GLU N N 15 122.196 . . . . . . A 2 GLU N . 19751 1 22 . 1 1 6 6 SER H H 1 8.305 . . . . . . A 3 SER H . 19751 1 23 . 1 1 6 6 SER HA H 1 4.597 . . . . . . A 3 SER HA . 19751 1 24 . 1 1 6 6 SER HB2 H 1 3.811 . . . . . . A 3 SER HB2 . 19751 1 25 . 1 1 6 6 SER HB3 H 1 3.811 . . . . . . A 3 SER HB3 . 19751 1 26 . 1 1 6 6 SER C C 13 174.294 . . . . . . A 3 SER C . 19751 1 27 . 1 1 6 6 SER CA C 13 58.386 . . . . . . A 3 SER CA . 19751 1 28 . 1 1 6 6 SER CB C 13 64.039 . . . . . . A 3 SER CB . 19751 1 29 . 1 1 6 6 SER N N 15 116.623 . . . . . . A 3 SER N . 19751 1 30 . 1 1 7 7 VAL H H 1 8.303 . . . . . . A 4 VAL H . 19751 1 31 . 1 1 7 7 VAL HA H 1 4.309 . . . . . . A 4 VAL HA . 19751 1 32 . 1 1 7 7 VAL HB H 1 2.115 . . . . . . A 4 VAL HB . 19751 1 33 . 1 1 7 7 VAL HG11 H 1 0.94 . . . . . . A 4 VAL HG11 . 19751 1 34 . 1 1 7 7 VAL HG12 H 1 0.94 . . . . . . A 4 VAL HG12 . 19751 1 35 . 1 1 7 7 VAL HG13 H 1 0.94 . . . . . . A 4 VAL HG13 . 19751 1 36 . 1 1 7 7 VAL HG21 H 1 0.942 . . . . . . A 4 VAL HG21 . 19751 1 37 . 1 1 7 7 VAL HG22 H 1 0.942 . . . . . . A 4 VAL HG22 . 19751 1 38 . 1 1 7 7 VAL HG23 H 1 0.942 . . . . . . A 4 VAL HG23 . 19751 1 39 . 1 1 7 7 VAL C C 13 176.177 . . . . . . A 4 VAL C . 19751 1 40 . 1 1 7 7 VAL CA C 13 61.709 . . . . . . A 4 VAL CA . 19751 1 41 . 1 1 7 7 VAL CB C 13 33.355 . . . . . . A 4 VAL CB . 19751 1 42 . 1 1 7 7 VAL CG1 C 13 20.829 . . . . . . A 4 VAL CG1 . 19751 1 43 . 1 1 7 7 VAL N N 15 121.759 . . . . . . A 4 VAL N . 19751 1 44 . 1 1 8 8 THR H H 1 8.319 . . . . . . A 5 THR H . 19751 1 45 . 1 1 8 8 THR HA H 1 4.592 . . . . . . A 5 THR HA . 19751 1 46 . 1 1 8 8 THR HB H 1 4.133 . . . . . . A 5 THR HB . 19751 1 47 . 1 1 8 8 THR HG21 H 1 1.152 . . . . . . A 5 THR HG21 . 19751 1 48 . 1 1 8 8 THR HG22 H 1 1.152 . . . . . . A 5 THR HG22 . 19751 1 49 . 1 1 8 8 THR HG23 H 1 1.152 . . . . . . A 5 THR HG23 . 19751 1 50 . 1 1 8 8 THR C C 13 173.579 . . . . . . A 5 THR C . 19751 1 51 . 1 1 8 8 THR CA C 13 62.022 . . . . . . A 5 THR CA . 19751 1 52 . 1 1 8 8 THR CB C 13 70.047 . . . . . . A 5 THR CB . 19751 1 53 . 1 1 8 8 THR CG2 C 13 20.604 . . . . . . A 5 THR CG2 . 19751 1 54 . 1 1 8 8 THR N N 15 118.335 . . . . . . A 5 THR N . 19751 1 55 . 1 1 9 9 MET H H 1 8.035 . . . . . . A 6 MET H . 19751 1 56 . 1 1 9 9 MET CA C 13 57.26 . . . . . . A 6 MET CA . 19751 1 57 . 1 1 9 9 MET CB C 13 33.78 . . . . . . A 6 MET CB . 19751 1 58 . 1 1 9 9 MET N N 15 123.858 . . . . . . A 6 MET N . 19751 1 59 . 1 1 10 10 ASP HA H 1 4.497 . . . . . . A 7 ASP HA . 19751 1 60 . 1 1 10 10 ASP HB2 H 1 2.696 . . . . . . A 7 ASP HB2 . 19751 1 61 . 1 1 10 10 ASP HB3 H 1 2.696 . . . . . . A 7 ASP HB3 . 19751 1 62 . 1 1 10 10 ASP CA C 13 55.15 . . . . . . A 7 ASP CA . 19751 1 63 . 1 1 10 10 ASP CB C 13 41.264 . . . . . . A 7 ASP CB . 19751 1 64 . 1 1 11 11 GLY H H 1 8.386 . . . . . . A 8 GLY H . 19751 1 65 . 1 1 11 11 GLY HA2 H 1 3.994 . . . . . . A 8 GLY HA2 . 19751 1 66 . 1 1 11 11 GLY HA3 H 1 3.826 . . . . . . A 8 GLY HA3 . 19751 1 67 . 1 1 11 11 GLY CA C 13 45.613 . . . . . . A 8 GLY CA . 19751 1 68 . 1 1 11 11 GLY N N 15 114.13 . . . . . . A 8 GLY N . 19751 1 69 . 1 1 12 12 LYS H H 1 8.021 . . . . . . A 9 LYS H . 19751 1 70 . 1 1 12 12 LYS HA H 1 4.344 . . . . . . A 9 LYS HA . 19751 1 71 . 1 1 12 12 LYS HB2 H 1 1.63 . . . . . . A 9 LYS HB2 . 19751 1 72 . 1 1 12 12 LYS HB3 H 1 1.63 . . . . . . A 9 LYS HB3 . 19751 1 73 . 1 1 12 12 LYS HG2 H 1 1.316 . . . . . . A 9 LYS HG2 . 19751 1 74 . 1 1 12 12 LYS HG3 H 1 1.316 . . . . . . A 9 LYS HG3 . 19751 1 75 . 1 1 12 12 LYS HD2 H 1 0.897 . . . . . . A 9 LYS HD2 . 19751 1 76 . 1 1 12 12 LYS HD3 H 1 0.897 . . . . . . A 9 LYS HD3 . 19751 1 77 . 1 1 12 12 LYS HE2 H 1 2.625 . . . . . . A 9 LYS HE2 . 19751 1 78 . 1 1 12 12 LYS HE3 H 1 2.625 . . . . . . A 9 LYS HE3 . 19751 1 79 . 1 1 12 12 LYS N N 15 120.803 . . . . . . A 9 LYS N . 19751 1 80 . 1 1 13 13 GLN H H 1 8.246 . . . . . . A 10 GLN H . 19751 1 81 . 1 1 13 13 GLN HA H 1 4.467 . . . . . . A 10 GLN HA . 19751 1 82 . 1 1 13 13 GLN HB2 H 1 1.98 . . . . . . A 10 GLN HB2 . 19751 1 83 . 1 1 13 13 GLN HB3 H 1 1.98 . . . . . . A 10 GLN HB3 . 19751 1 84 . 1 1 13 13 GLN HG2 H 1 2.237 . . . . . . A 10 GLN HG2 . 19751 1 85 . 1 1 13 13 GLN HG3 H 1 2.237 . . . . . . A 10 GLN HG3 . 19751 1 86 . 1 1 13 13 GLN CA C 13 55.281 . . . . . . A 10 GLN CA . 19751 1 87 . 1 1 13 13 GLN CB C 13 30.41 . . . . . . A 10 GLN CB . 19751 1 88 . 1 1 13 13 GLN CG C 13 33.718 . . . . . . A 10 GLN CG . 19751 1 89 . 1 1 13 13 GLN N N 15 120.522 . . . . . . A 10 GLN N . 19751 1 90 . 1 1 14 14 TYR H H 1 8.873 . . . . . . A 11 TYR H . 19751 1 91 . 1 1 14 14 TYR HA H 1 4.299 . . . . . . A 11 TYR HA . 19751 1 92 . 1 1 14 14 TYR HB2 H 1 3.199 . . . . . . A 11 TYR HB2 . 19751 1 93 . 1 1 14 14 TYR HB3 H 1 3.199 . . . . . . A 11 TYR HB3 . 19751 1 94 . 1 1 14 14 TYR CA C 13 56.949 . . . . . . A 11 TYR CA . 19751 1 95 . 1 1 14 14 TYR CB C 13 43.274 . . . . . . A 11 TYR CB . 19751 1 96 . 1 1 14 14 TYR N N 15 121.213 . . . . . . A 11 TYR N . 19751 1 97 . 1 1 15 15 SER H H 1 9.047 . . . . . . A 12 SER H . 19751 1 98 . 1 1 15 15 SER HA H 1 4.715 . . . . . . A 12 SER HA . 19751 1 99 . 1 1 15 15 SER HB2 H 1 3.847 . . . . . . A 12 SER HB2 . 19751 1 100 . 1 1 15 15 SER HB3 H 1 3.847 . . . . . . A 12 SER HB3 . 19751 1 101 . 1 1 15 15 SER CA C 13 57.374 . . . . . . A 12 SER CA . 19751 1 102 . 1 1 15 15 SER CB C 13 63.946 . . . . . . A 12 SER CB . 19751 1 103 . 1 1 15 15 SER N N 15 117.406 . . . . . . A 12 SER N . 19751 1 104 . 1 1 16 16 THR H H 1 8.235 . . . . . . A 13 THR H . 19751 1 105 . 1 1 16 16 THR HA H 1 4.929 . . . . . . A 13 THR HA . 19751 1 106 . 1 1 16 16 THR HB H 1 3.955 . . . . . . A 13 THR HB . 19751 1 107 . 1 1 16 16 THR HG21 H 1 1.092 . . . . . . A 13 THR HG21 . 19751 1 108 . 1 1 16 16 THR HG22 H 1 1.092 . . . . . . A 13 THR HG22 . 19751 1 109 . 1 1 16 16 THR HG23 H 1 1.092 . . . . . . A 13 THR HG23 . 19751 1 110 . 1 1 16 16 THR CA C 13 60.716 . . . . . . A 13 THR CA . 19751 1 111 . 1 1 16 16 THR CB C 13 71.808 . . . . . . A 13 THR CB . 19751 1 112 . 1 1 16 16 THR N N 15 112.091 . . . . . . A 13 THR N . 19751 1 113 . 1 1 17 17 ILE H H 1 9.108 . . . . . . A 14 ILE H . 19751 1 114 . 1 1 17 17 ILE N N 15 120.891 . . . . . . A 14 ILE N . 19751 1 115 . 1 1 18 18 GLU H H 1 8.3 . . . . . . A 15 GLU H . 19751 1 116 . 1 1 18 18 GLU N N 15 127.598 . . . . . . A 15 GLU N . 19751 1 117 . 1 1 19 19 VAL H H 1 9.32 . . . . . . A 16 VAL H . 19751 1 118 . 1 1 19 19 VAL HA H 1 4.284 . . . . . . A 16 VAL HA . 19751 1 119 . 1 1 19 19 VAL HB H 1 2.074 . . . . . . A 16 VAL HB . 19751 1 120 . 1 1 19 19 VAL HG11 H 1 0.889 . . . . . . A 16 VAL HG11 . 19751 1 121 . 1 1 19 19 VAL HG12 H 1 0.889 . . . . . . A 16 VAL HG12 . 19751 1 122 . 1 1 19 19 VAL HG13 H 1 0.889 . . . . . . A 16 VAL HG13 . 19751 1 123 . 1 1 19 19 VAL HG21 H 1 0.889 . . . . . . A 16 VAL HG21 . 19751 1 124 . 1 1 19 19 VAL HG22 H 1 0.889 . . . . . . A 16 VAL HG22 . 19751 1 125 . 1 1 19 19 VAL HG23 H 1 0.889 . . . . . . A 16 VAL HG23 . 19751 1 126 . 1 1 19 19 VAL CA C 13 61.835 . . . . . . A 16 VAL CA . 19751 1 127 . 1 1 19 19 VAL CB C 13 34.896 . . . . . . A 16 VAL CB . 19751 1 128 . 1 1 19 19 VAL CG1 C 13 20.398 . . . . . . A 16 VAL CG1 . 19751 1 129 . 1 1 19 19 VAL N N 15 126.224 . . . . . . A 16 VAL N . 19751 1 130 . 1 1 20 20 ASN H H 1 9.31 . . . . . . A 17 ASN H . 19751 1 131 . 1 1 20 20 ASN HA H 1 5.164 . . . . . . A 17 ASN HA . 19751 1 132 . 1 1 20 20 ASN HB2 H 1 2.739 . . . . . . A 17 ASN HB2 . 19751 1 133 . 1 1 20 20 ASN HB3 H 1 2.65 . . . . . . A 17 ASN HB3 . 19751 1 134 . 1 1 20 20 ASN CA C 13 53.549 . . . . . . A 17 ASN CA . 19751 1 135 . 1 1 20 20 ASN CB C 13 37.215 . . . . . . A 17 ASN CB . 19751 1 136 . 1 1 20 20 ASN N N 15 123.394 . . . . . . A 17 ASN N . 19751 1 137 . 1 1 21 21 GLY H H 1 9.024 . . . . . . A 18 GLY H . 19751 1 138 . 1 1 21 21 GLY HA2 H 1 3.961 . . . . . . A 18 GLY HA2 . 19751 1 139 . 1 1 21 21 GLY HA3 H 1 3.961 . . . . . . A 18 GLY HA3 . 19751 1 140 . 1 1 22 22 GLN H H 1 7.99 . . . . . . A 19 GLN H . 19751 1 141 . 1 1 22 22 GLN N N 15 119.994 . . . . . . A 19 GLN N . 19751 1 142 . 1 1 23 23 THR H H 1 8.401 . . . . . . A 20 THR H . 19751 1 143 . 1 1 23 23 THR HA H 1 4.384 . . . . . . A 20 THR HA . 19751 1 144 . 1 1 23 23 THR HB H 1 3.873 . . . . . . A 20 THR HB . 19751 1 145 . 1 1 23 23 THR HG21 H 1 1.169 . . . . . . A 20 THR HG21 . 19751 1 146 . 1 1 23 23 THR HG22 H 1 1.169 . . . . . . A 20 THR HG22 . 19751 1 147 . 1 1 23 23 THR HG23 H 1 1.169 . . . . . . A 20 THR HG23 . 19751 1 148 . 1 1 23 23 THR CA C 13 63.334 . . . . . . A 20 THR CA . 19751 1 149 . 1 1 23 23 THR CB C 13 69.401 . . . . . . A 20 THR CB . 19751 1 150 . 1 1 23 23 THR N N 15 117.472 . . . . . . A 20 THR N . 19751 1 151 . 1 1 24 24 TYR H H 1 9.367 . . . . . . A 21 TYR H . 19751 1 152 . 1 1 24 24 TYR HA H 1 4.162 . . . . . . A 21 TYR HA . 19751 1 153 . 1 1 24 24 TYR HB2 H 1 3.173 . . . . . . A 21 TYR HB2 . 19751 1 154 . 1 1 24 24 TYR HB3 H 1 3.173 . . . . . . A 21 TYR HB3 . 19751 1 155 . 1 1 24 24 TYR CA C 13 57.487 . . . . . . A 21 TYR CA . 19751 1 156 . 1 1 24 24 TYR CB C 13 43.33 . . . . . . A 21 TYR CB . 19751 1 157 . 1 1 24 24 TYR N N 15 126.847 . . . . . . A 21 TYR N . 19751 1 158 . 1 1 25 25 LEU H H 1 9.06 . . . . . . A 22 LEU H . 19751 1 159 . 1 1 25 25 LEU HA H 1 4.192 . . . . . . A 22 LEU HA . 19751 1 160 . 1 1 25 25 LEU HB2 H 1 1.577 . . . . . . A 22 LEU HB2 . 19751 1 161 . 1 1 25 25 LEU HB3 H 1 1.577 . . . . . . A 22 LEU HB3 . 19751 1 162 . 1 1 25 25 LEU HG H 1 1.577 . . . . . . A 22 LEU HG . 19751 1 163 . 1 1 25 25 LEU HD11 H 1 0.895 . . . . . . A 22 LEU HD11 . 19751 1 164 . 1 1 25 25 LEU HD12 H 1 0.895 . . . . . . A 22 LEU HD12 . 19751 1 165 . 1 1 25 25 LEU HD13 H 1 0.895 . . . . . . A 22 LEU HD13 . 19751 1 166 . 1 1 25 25 LEU HD21 H 1 0.85 . . . . . . A 22 LEU HD21 . 19751 1 167 . 1 1 25 25 LEU HD22 H 1 0.85 . . . . . . A 22 LEU HD22 . 19751 1 168 . 1 1 25 25 LEU HD23 H 1 0.85 . . . . . . A 22 LEU HD23 . 19751 1 169 . 1 1 25 25 LEU CA C 13 56.922 . . . . . . A 22 LEU CA . 19751 1 170 . 1 1 25 25 LEU CB C 13 43.212 . . . . . . A 22 LEU CB . 19751 1 171 . 1 1 25 25 LEU CD1 C 13 25.161 . . . . . . A 22 LEU CD1 . 19751 1 172 . 1 1 25 25 LEU CD2 C 13 23.503 . . . . . . A 22 LEU CD2 . 19751 1 173 . 1 1 25 25 LEU N N 15 118.537 . . . . . . A 22 LEU N . 19751 1 174 . 1 1 27 27 PRO HA H 1 4.391 . . . . . . A 24 PRO HA . 19751 1 175 . 1 1 27 27 PRO HB2 H 1 1.853 . . . . . . A 24 PRO HB2 . 19751 1 176 . 1 1 27 27 PRO HB3 H 1 2.304 . . . . . . A 24 PRO HB3 . 19751 1 177 . 1 1 27 27 PRO HG2 H 1 2.037 . . . . . . A 24 PRO HG2 . 19751 1 178 . 1 1 27 27 PRO HG3 H 1 2.037 . . . . . . A 24 PRO HG3 . 19751 1 179 . 1 1 27 27 PRO HD2 H 1 3.901 . . . . . . A 24 PRO HD2 . 19751 1 180 . 1 1 27 27 PRO HD3 H 1 3.901 . . . . . . A 24 PRO HD3 . 19751 1 181 . 1 1 27 27 PRO CA C 13 63.334 . . . . . . A 24 PRO CA . 19751 1 182 . 1 1 27 27 PRO CB C 13 32.14 . . . . . . A 24 PRO CB . 19751 1 183 . 1 1 27 27 PRO CG C 13 27.329 . . . . . . A 24 PRO CG . 19751 1 184 . 1 1 27 27 PRO CD C 13 50.761 . . . . . . A 24 PRO CD . 19751 1 185 . 1 1 28 28 ASP H H 1 8.324 . . . . . . A 25 ASP H . 19751 1 186 . 1 1 28 28 ASP HA H 1 4.592 . . . . . . A 25 ASP HA . 19751 1 187 . 1 1 28 28 ASP HB2 H 1 2.709 . . . . . . A 25 ASP HB2 . 19751 1 188 . 1 1 28 28 ASP HB3 H 1 2.602 . . . . . . A 25 ASP HB3 . 19751 1 189 . 1 1 28 28 ASP CA C 13 54.308 . . . . . . A 25 ASP CA . 19751 1 190 . 1 1 28 28 ASP CB C 13 41.087 . . . . . . A 25 ASP CB . 19751 1 191 . 1 1 28 28 ASP N N 15 121.554 . . . . . . A 25 ASP N . 19751 1 192 . 1 1 29 29 ASN HA H 1 4.739 . . . . . . A 26 ASN HA . 19751 1 193 . 1 1 29 29 ASN HB2 H 1 2.839 . . . . . . A 26 ASN HB2 . 19751 1 194 . 1 1 29 29 ASN HB3 H 1 2.839 . . . . . . A 26 ASN HB3 . 19751 1 195 . 1 1 29 29 ASN CA C 13 52.656 . . . . . . A 26 ASN CA . 19751 1 196 . 1 1 29 29 ASN CB C 13 39.132 . . . . . . A 26 ASN CB . 19751 1 197 . 1 1 30 30 GLY H H 1 8.494 . . . . . . A 27 GLY H . 19751 1 198 . 1 1 30 30 GLY HA2 H 1 3.964 . . . . . . A 27 GLY HA2 . 19751 1 199 . 1 1 30 30 GLY HA3 H 1 3.964 . . . . . . A 27 GLY HA3 . 19751 1 200 . 1 1 30 30 GLY CA C 13 45.414 . . . . . . A 27 GLY CA . 19751 1 201 . 1 1 30 30 GLY N N 15 109.206 . . . . . . A 27 GLY N . 19751 1 202 . 1 1 31 31 SER H H 1 8.372 . . . . . . A 28 SER H . 19751 1 203 . 1 1 31 31 SER HA H 1 4.384 . . . . . . A 28 SER HA . 19751 1 204 . 1 1 31 31 SER HB2 H 1 3.869 . . . . . . A 28 SER HB2 . 19751 1 205 . 1 1 31 31 SER HB3 H 1 3.869 . . . . . . A 28 SER HB3 . 19751 1 206 . 1 1 31 31 SER CA C 13 60.226 . . . . . . A 28 SER CA . 19751 1 207 . 1 1 31 31 SER CB C 13 63.818 . . . . . . A 28 SER CB . 19751 1 208 . 1 1 31 31 SER N N 15 116.238 . . . . . . A 28 SER N . 19751 1 209 . 1 1 32 32 LYS H H 1 8.027 . . . . . . A 29 LYS H . 19751 1 210 . 1 1 32 32 LYS HA H 1 4.331 . . . . . . A 29 LYS HA . 19751 1 211 . 1 1 32 32 LYS HB2 H 1 1.8 . . . . . . A 29 LYS HB2 . 19751 1 212 . 1 1 32 32 LYS HB3 H 1 1.8 . . . . . . A 29 LYS HB3 . 19751 1 213 . 1 1 32 32 LYS HG2 H 1 1.421 . . . . . . A 29 LYS HG2 . 19751 1 214 . 1 1 32 32 LYS HG3 H 1 1.421 . . . . . . A 29 LYS HG3 . 19751 1 215 . 1 1 32 32 LYS HD2 H 1 1.659 . . . . . . A 29 LYS HD2 . 19751 1 216 . 1 1 32 32 LYS HD3 H 1 1.659 . . . . . . A 29 LYS HD3 . 19751 1 217 . 1 1 32 32 LYS HE2 H 1 2.979 . . . . . . A 29 LYS HE2 . 19751 1 218 . 1 1 32 32 LYS HE3 H 1 2.979 . . . . . . A 29 LYS HE3 . 19751 1 219 . 1 1 32 32 LYS CA C 13 56.353 . . . . . . A 29 LYS CA . 19751 1 220 . 1 1 32 32 LYS CB C 13 33.347 . . . . . . A 29 LYS CB . 19751 1 221 . 1 1 32 32 LYS CG C 13 24.716 . . . . . . A 29 LYS CG . 19751 1 222 . 1 1 32 32 LYS CD C 13 29.058 . . . . . . A 29 LYS CD . 19751 1 223 . 1 1 32 32 LYS CE C 13 42.194 . . . . . . A 29 LYS CE . 19751 1 224 . 1 1 32 32 LYS N N 15 121.905 . . . . . . A 29 LYS N . 19751 1 225 . 1 1 33 33 LYS H H 1 8.223 . . . . . . A 30 LYS H . 19751 1 226 . 1 1 33 33 LYS HA H 1 4.294 . . . . . . A 30 LYS HA . 19751 1 227 . 1 1 33 33 LYS HB2 H 1 1.729 . . . . . . A 30 LYS HB2 . 19751 1 228 . 1 1 33 33 LYS HB3 H 1 1.729 . . . . . . A 30 LYS HB3 . 19751 1 229 . 1 1 33 33 LYS HG2 H 1 1.414 . . . . . . A 30 LYS HG2 . 19751 1 230 . 1 1 33 33 LYS HG3 H 1 1.414 . . . . . . A 30 LYS HG3 . 19751 1 231 . 1 1 33 33 LYS HD2 H 1 1.66 . . . . . . A 30 LYS HD2 . 19751 1 232 . 1 1 33 33 LYS HD3 H 1 1.66 . . . . . . A 30 LYS HD3 . 19751 1 233 . 1 1 33 33 LYS HE2 H 1 2.981 . . . . . . A 30 LYS HE2 . 19751 1 234 . 1 1 33 33 LYS HE3 H 1 2.981 . . . . . . A 30 LYS HE3 . 19751 1 235 . 1 1 33 33 LYS CA C 13 56.214 . . . . . . A 30 LYS CA . 19751 1 236 . 1 1 33 33 LYS CB C 13 33.171 . . . . . . A 30 LYS CB . 19751 1 237 . 1 1 33 33 LYS CG C 13 24.656 . . . . . . A 30 LYS CG . 19751 1 238 . 1 1 33 33 LYS CD C 13 29.013 . . . . . . A 30 LYS CD . 19751 1 239 . 1 1 33 33 LYS CE C 13 42.18 . . . . . . A 30 LYS CE . 19751 1 240 . 1 1 33 33 LYS N N 15 122.663 . . . . . . A 30 LYS N . 19751 1 241 . 1 1 34 34 ARG H H 1 8.404 . . . . . . A 31 ARG H . 19751 1 242 . 1 1 34 34 ARG HA H 1 4.355 . . . . . . A 31 ARG HA . 19751 1 243 . 1 1 34 34 ARG HB2 H 1 1.824 . . . . . . A 31 ARG HB2 . 19751 1 244 . 1 1 34 34 ARG HB3 H 1 1.71 . . . . . . A 31 ARG HB3 . 19751 1 245 . 1 1 34 34 ARG HG2 H 1 1.574 . . . . . . A 31 ARG HG2 . 19751 1 246 . 1 1 34 34 ARG HG3 H 1 1.624 . . . . . . A 31 ARG HG3 . 19751 1 247 . 1 1 34 34 ARG HD2 H 1 3.188 . . . . . . A 31 ARG HD2 . 19751 1 248 . 1 1 34 34 ARG HD3 H 1 3.188 . . . . . . A 31 ARG HD3 . 19751 1 249 . 1 1 34 34 ARG CA C 13 56.295 . . . . . . A 31 ARG CA . 19751 1 250 . 1 1 34 34 ARG CB C 13 31.854 . . . . . . A 31 ARG CB . 19751 1 251 . 1 1 34 34 ARG CG C 13 26.767 . . . . . . A 31 ARG CG . 19751 1 252 . 1 1 34 34 ARG CD C 13 43.342 . . . . . . A 31 ARG CD . 19751 1 253 . 1 1 34 34 ARG N N 15 123.469 . . . . . . A 31 ARG N . 19751 1 254 . 1 1 35 35 VAL H H 1 8.214 . . . . . . A 32 VAL H . 19751 1 255 . 1 1 35 35 VAL HA H 1 4.243 . . . . . . A 32 VAL HA . 19751 1 256 . 1 1 35 35 VAL HB H 1 2.107 . . . . . . A 32 VAL HB . 19751 1 257 . 1 1 35 35 VAL HG11 H 1 0.927 . . . . . . A 32 VAL HG11 . 19751 1 258 . 1 1 35 35 VAL HG12 H 1 0.927 . . . . . . A 32 VAL HG12 . 19751 1 259 . 1 1 35 35 VAL HG13 H 1 0.927 . . . . . . A 32 VAL HG13 . 19751 1 260 . 1 1 35 35 VAL HG21 H 1 0.927 . . . . . . A 32 VAL HG21 . 19751 1 261 . 1 1 35 35 VAL HG22 H 1 0.927 . . . . . . A 32 VAL HG22 . 19751 1 262 . 1 1 35 35 VAL HG23 H 1 0.927 . . . . . . A 32 VAL HG23 . 19751 1 263 . 1 1 35 35 VAL CA C 13 62.316 . . . . . . A 32 VAL CA . 19751 1 264 . 1 1 35 35 VAL CB C 13 32.863 . . . . . . A 32 VAL CB . 19751 1 265 . 1 1 35 35 VAL CG1 C 13 20.426 . . . . . . A 32 VAL CG1 . 19751 1 266 . 1 1 35 35 VAL N N 15 122.456 . . . . . . A 32 VAL N . 19751 1 267 . 1 1 36 36 ALA H H 1 8.374 . . . . . . A 33 ALA H . 19751 1 268 . 1 1 36 36 ALA HA H 1 4.302 . . . . . . A 33 ALA HA . 19751 1 269 . 1 1 36 36 ALA HB1 H 1 1.378 . . . . . . A 33 ALA HB1 . 19751 1 270 . 1 1 36 36 ALA HB2 H 1 1.378 . . . . . . A 33 ALA HB2 . 19751 1 271 . 1 1 36 36 ALA HB3 H 1 1.378 . . . . . . A 33 ALA HB3 . 19751 1 272 . 1 1 36 36 ALA CA C 13 52.617 . . . . . . A 33 ALA CA . 19751 1 273 . 1 1 36 36 ALA CB C 13 19.308 . . . . . . A 33 ALA CB . 19751 1 274 . 1 1 36 36 ALA N N 15 127.685 . . . . . . A 33 ALA N . 19751 1 275 . 1 1 37 37 ARG H H 1 8.652 . . . . . . A 34 ARG H . 19751 1 276 . 1 1 37 37 ARG HA H 1 4.323 . . . . . . A 34 ARG HA . 19751 1 277 . 1 1 37 37 ARG HB2 H 1 2.049 . . . . . . A 34 ARG HB2 . 19751 1 278 . 1 1 37 37 ARG HB3 H 1 1.927 . . . . . . A 34 ARG HB3 . 19751 1 279 . 1 1 37 37 ARG HG2 H 1 1.812 . . . . . . A 34 ARG HG2 . 19751 1 280 . 1 1 37 37 ARG HG3 H 1 1.812 . . . . . . A 34 ARG HG3 . 19751 1 281 . 1 1 37 37 ARG HD2 H 1 2.265 . . . . . . A 34 ARG HD2 . 19751 1 282 . 1 1 37 37 ARG HD3 H 1 2.265 . . . . . . A 34 ARG HD3 . 19751 1 283 . 1 1 37 37 ARG CA C 13 56.82 . . . . . . A 34 ARG CA . 19751 1 284 . 1 1 37 37 ARG CB C 13 30.16 . . . . . . A 34 ARG CB . 19751 1 285 . 1 1 37 37 ARG N N 15 119.922 . . . . . . A 34 ARG N . 19751 1 286 . 1 1 38 38 SER H H 1 8.359 . . . . . . A 35 SER H . 19751 1 287 . 1 1 38 38 SER HA H 1 4.543 . . . . . . A 35 SER HA . 19751 1 288 . 1 1 38 38 SER HB2 H 1 3.849 . . . . . . A 35 SER HB2 . 19751 1 289 . 1 1 38 38 SER HB3 H 1 3.849 . . . . . . A 35 SER HB3 . 19751 1 290 . 1 1 38 38 SER CA C 13 58.44 . . . . . . A 35 SER CA . 19751 1 291 . 1 1 38 38 SER CB C 13 64.094 . . . . . . A 35 SER CB . 19751 1 292 . 1 1 38 38 SER N N 15 116.881 . . . . . . A 35 SER N . 19751 1 293 . 1 1 39 39 LEU H H 1 8.546 . . . . . . A 36 LEU H . 19751 1 294 . 1 1 39 39 LEU HA H 1 4.373 . . . . . . A 36 LEU HA . 19751 1 295 . 1 1 39 39 LEU HB2 H 1 1.625 . . . . . . A 36 LEU HB2 . 19751 1 296 . 1 1 39 39 LEU HB3 H 1 1.625 . . . . . . A 36 LEU HB3 . 19751 1 297 . 1 1 39 39 LEU HG H 1 1.621 . . . . . . A 36 LEU HG . 19751 1 298 . 1 1 39 39 LEU HD11 H 1 0.916 . . . . . . A 36 LEU HD11 . 19751 1 299 . 1 1 39 39 LEU HD12 H 1 0.916 . . . . . . A 36 LEU HD12 . 19751 1 300 . 1 1 39 39 LEU HD13 H 1 0.916 . . . . . . A 36 LEU HD13 . 19751 1 301 . 1 1 39 39 LEU HD21 H 1 0.883 . . . . . . A 36 LEU HD21 . 19751 1 302 . 1 1 39 39 LEU HD22 H 1 0.883 . . . . . . A 36 LEU HD22 . 19751 1 303 . 1 1 39 39 LEU HD23 H 1 0.883 . . . . . . A 36 LEU HD23 . 19751 1 304 . 1 1 39 39 LEU CA C 13 55.594 . . . . . . A 36 LEU CA . 19751 1 305 . 1 1 39 39 LEU CB C 13 42.278 . . . . . . A 36 LEU CB . 19751 1 306 . 1 1 39 39 LEU CG C 13 26.91 . . . . . . A 36 LEU CG . 19751 1 307 . 1 1 39 39 LEU CD1 C 13 24.798 . . . . . . A 36 LEU CD1 . 19751 1 308 . 1 1 39 39 LEU CD2 C 13 23.157 . . . . . . A 36 LEU CD2 . 19751 1 309 . 1 1 39 39 LEU N N 15 124.595 . . . . . . A 36 LEU N . 19751 1 310 . 1 1 40 40 ASP H H 1 8.186 . . . . . . A 37 ASP H . 19751 1 311 . 1 1 40 40 ASP HA H 1 4.592 . . . . . . A 37 ASP HA . 19751 1 312 . 1 1 40 40 ASP HB2 H 1 2.683 . . . . . . A 37 ASP HB2 . 19751 1 313 . 1 1 40 40 ASP HB3 H 1 2.606 . . . . . . A 37 ASP HB3 . 19751 1 314 . 1 1 40 40 ASP CA C 13 54.308 . . . . . . A 37 ASP CA . 19751 1 315 . 1 1 40 40 ASP CB C 13 41.182 . . . . . . A 37 ASP CB . 19751 1 316 . 1 1 40 40 ASP N N 15 119.422 . . . . . . A 37 ASP N . 19751 1 317 . 1 1 41 41 SER H H 1 8.177 . . . . . . A 38 SER H . 19751 1 318 . 1 1 41 41 SER HA H 1 4.45 . . . . . . A 38 SER HA . 19751 1 319 . 1 1 41 41 SER HB2 H 1 3.854 . . . . . . A 38 SER HB2 . 19751 1 320 . 1 1 41 41 SER HB3 H 1 3.854 . . . . . . A 38 SER HB3 . 19751 1 321 . 1 1 41 41 SER CA C 13 58.499 . . . . . . A 38 SER CA . 19751 1 322 . 1 1 41 41 SER CB C 13 63.818 . . . . . . A 38 SER CB . 19751 1 323 . 1 1 41 41 SER N N 15 116.413 . . . . . . A 38 SER N . 19751 1 324 . 1 1 42 42 LYS H H 1 8.379 . . . . . . A 39 LYS H . 19751 1 325 . 1 1 42 42 LYS HA H 1 4.337 . . . . . . A 39 LYS HA . 19751 1 326 . 1 1 42 42 LYS HB2 H 1 1.776 . . . . . . A 39 LYS HB2 . 19751 1 327 . 1 1 42 42 LYS HB3 H 1 1.776 . . . . . . A 39 LYS HB3 . 19751 1 328 . 1 1 42 42 LYS HG2 H 1 1.438 . . . . . . A 39 LYS HG2 . 19751 1 329 . 1 1 42 42 LYS HG3 H 1 1.366 . . . . . . A 39 LYS HG3 . 19751 1 330 . 1 1 42 42 LYS HD2 H 1 1.659 . . . . . . A 39 LYS HD2 . 19751 1 331 . 1 1 42 42 LYS HD3 H 1 1.659 . . . . . . A 39 LYS HD3 . 19751 1 332 . 1 1 42 42 LYS HE2 H 1 2.982 . . . . . . A 39 LYS HE2 . 19751 1 333 . 1 1 42 42 LYS HE3 H 1 2.982 . . . . . . A 39 LYS HE3 . 19751 1 334 . 1 1 42 42 LYS CA C 13 56.679 . . . . . . A 39 LYS CA . 19751 1 335 . 1 1 42 42 LYS CB C 13 32.232 . . . . . . A 39 LYS CB . 19751 1 336 . 1 1 42 42 LYS CG C 13 24.59 . . . . . . A 39 LYS CG . 19751 1 337 . 1 1 42 42 LYS CD C 13 29.014 . . . . . . A 39 LYS CD . 19751 1 338 . 1 1 42 42 LYS CE C 13 42.155 . . . . . . A 39 LYS CE . 19751 1 339 . 1 1 42 42 LYS N N 15 123.095 . . . . . . A 39 LYS N . 19751 1 340 . 1 1 43 43 VAL H H 1 8.069 . . . . . . A 40 VAL H . 19751 1 341 . 1 1 43 43 VAL HA H 1 4.388 . . . . . . A 40 VAL HA . 19751 1 342 . 1 1 43 43 VAL HB H 1 2.073 . . . . . . A 40 VAL HB . 19751 1 343 . 1 1 43 43 VAL HG11 H 1 0.964 . . . . . . A 40 VAL HG11 . 19751 1 344 . 1 1 43 43 VAL HG12 H 1 0.964 . . . . . . A 40 VAL HG12 . 19751 1 345 . 1 1 43 43 VAL HG13 H 1 0.964 . . . . . . A 40 VAL HG13 . 19751 1 346 . 1 1 43 43 VAL HG21 H 1 0.932 . . . . . . A 40 VAL HG21 . 19751 1 347 . 1 1 43 43 VAL HG22 H 1 0.932 . . . . . . A 40 VAL HG22 . 19751 1 348 . 1 1 43 43 VAL HG23 H 1 0.932 . . . . . . A 40 VAL HG23 . 19751 1 349 . 1 1 43 43 VAL CA C 13 60.161 . . . . . . A 40 VAL CA . 19751 1 350 . 1 1 43 43 VAL CB C 13 32.615 . . . . . . A 40 VAL CB . 19751 1 351 . 1 1 43 43 VAL CG1 C 13 20.731 . . . . . . A 40 VAL CG1 . 19751 1 352 . 1 1 43 43 VAL CG2 C 13 20.262 . . . . . . A 40 VAL CG2 . 19751 1 353 . 1 1 43 43 VAL N N 15 122.475 . . . . . . A 40 VAL N . 19751 1 354 . 1 1 44 44 PRO HA H 1 4.421 . . . . . . A 41 PRO HA . 19751 1 355 . 1 1 44 44 PRO HB2 H 1 1.944 . . . . . . A 41 PRO HB2 . 19751 1 356 . 1 1 44 44 PRO HB3 H 1 2.287 . . . . . . A 41 PRO HB3 . 19751 1 357 . 1 1 44 44 PRO HG2 H 1 2.047 . . . . . . A 41 PRO HG2 . 19751 1 358 . 1 1 44 44 PRO HG3 H 1 1.987 . . . . . . A 41 PRO HG3 . 19751 1 359 . 1 1 44 44 PRO HD2 H 1 3.649 . . . . . . A 41 PRO HD2 . 19751 1 360 . 1 1 44 44 PRO HD3 H 1 3.649 . . . . . . A 41 PRO HD3 . 19751 1 361 . 1 1 44 44 PRO CA C 13 62.758 . . . . . . A 41 PRO CA . 19751 1 362 . 1 1 44 44 PRO CB C 13 32.307 . . . . . . A 41 PRO CB . 19751 1 363 . 1 1 44 44 PRO CG C 13 27.257 . . . . . . A 41 PRO CG . 19751 1 364 . 1 1 44 44 PRO CD C 13 50.743 . . . . . . A 41 PRO CD . 19751 1 365 . 1 1 45 45 GLN H H 1 8.482 . . . . . . A 42 GLN H . 19751 1 366 . 1 1 45 45 GLN HA H 1 4.279 . . . . . . A 42 GLN HA . 19751 1 367 . 1 1 45 45 GLN HB2 H 1 2.101 . . . . . . A 42 GLN HB2 . 19751 1 368 . 1 1 45 45 GLN HB3 H 1 2.101 . . . . . . A 42 GLN HB3 . 19751 1 369 . 1 1 45 45 GLN HG2 H 1 2.386 . . . . . . A 42 GLN HG2 . 19751 1 370 . 1 1 45 45 GLN HG3 H 1 2.386 . . . . . . A 42 GLN HG3 . 19751 1 371 . 1 1 45 45 GLN CA C 13 56.028 . . . . . . A 42 GLN CA . 19751 1 372 . 1 1 45 45 GLN CB C 13 29.719 . . . . . . A 42 GLN CB . 19751 1 373 . 1 1 45 45 GLN CG C 13 33.813 . . . . . . A 42 GLN CG . 19751 1 374 . 1 1 45 45 GLN N N 15 121.23 . . . . . . A 42 GLN N . 19751 1 375 . 1 1 46 46 GLN H H 1 8.506 . . . . . . A 43 GLN H . 19751 1 376 . 1 1 46 46 GLN HA H 1 4.389 . . . . . . A 43 GLN HA . 19751 1 377 . 1 1 46 46 GLN HB2 H 1 2.103 . . . . . . A 43 GLN HB2 . 19751 1 378 . 1 1 46 46 GLN HB3 H 1 1.994 . . . . . . A 43 GLN HB3 . 19751 1 379 . 1 1 46 46 GLN HG2 H 1 2.337 . . . . . . A 43 GLN HG2 . 19751 1 380 . 1 1 46 46 GLN HG3 H 1 2.337 . . . . . . A 43 GLN HG3 . 19751 1 381 . 1 1 46 46 GLN CA C 13 55.924 . . . . . . A 43 GLN CA . 19751 1 382 . 1 1 46 46 GLN CB C 13 29.529 . . . . . . A 43 GLN CB . 19751 1 383 . 1 1 46 46 GLN CG C 13 33.907 . . . . . . A 43 GLN CG . 19751 1 384 . 1 1 46 46 GLN N N 15 121.831 . . . . . . A 43 GLN N . 19751 1 385 . 1 1 47 47 THR H H 1 8.231 . . . . . . A 44 THR H . 19751 1 386 . 1 1 47 47 THR HA H 1 4.302 . . . . . . A 44 THR HA . 19751 1 387 . 1 1 47 47 THR HB H 1 4.153 . . . . . . A 44 THR HB . 19751 1 388 . 1 1 47 47 THR HG21 H 1 1.171 . . . . . . A 44 THR HG21 . 19751 1 389 . 1 1 47 47 THR HG22 H 1 1.171 . . . . . . A 44 THR HG22 . 19751 1 390 . 1 1 47 47 THR HG23 H 1 1.171 . . . . . . A 44 THR HG23 . 19751 1 391 . 1 1 47 47 THR CA C 13 61.922 . . . . . . A 44 THR CA . 19751 1 392 . 1 1 47 47 THR CB C 13 69.811 . . . . . . A 44 THR CB . 19751 1 393 . 1 1 47 47 THR CG2 C 13 21.401 . . . . . . A 44 THR CG2 . 19751 1 394 . 1 1 47 47 THR N N 15 116.251 . . . . . . A 44 THR N . 19751 1 395 . 1 1 48 48 LEU H H 1 8.257 . . . . . . A 45 LEU H . 19751 1 396 . 1 1 48 48 LEU HA H 1 4.498 . . . . . . A 45 LEU HA . 19751 1 397 . 1 1 48 48 LEU HB2 H 1 1.522 . . . . . . A 45 LEU HB2 . 19751 1 398 . 1 1 48 48 LEU HB3 H 1 1.522 . . . . . . A 45 LEU HB3 . 19751 1 399 . 1 1 48 48 LEU HG H 1 1.522 . . . . . . A 45 LEU HG . 19751 1 400 . 1 1 48 48 LEU HD11 H 1 0.804 . . . . . . A 45 LEU HD11 . 19751 1 401 . 1 1 48 48 LEU HD12 H 1 0.804 . . . . . . A 45 LEU HD12 . 19751 1 402 . 1 1 48 48 LEU HD13 H 1 0.804 . . . . . . A 45 LEU HD13 . 19751 1 403 . 1 1 48 48 LEU HD21 H 1 0.804 . . . . . . A 45 LEU HD21 . 19751 1 404 . 1 1 48 48 LEU HD22 H 1 0.804 . . . . . . A 45 LEU HD22 . 19751 1 405 . 1 1 48 48 LEU HD23 H 1 0.804 . . . . . . A 45 LEU HD23 . 19751 1 406 . 1 1 48 48 LEU CA C 13 55.107 . . . . . . A 45 LEU CA . 19751 1 407 . 1 1 48 48 LEU CB C 13 42.812 . . . . . . A 45 LEU CB . 19751 1 408 . 1 1 48 48 LEU N N 15 125.046 . . . . . . A 45 LEU N . 19751 1 409 . 1 1 49 49 ARG H H 1 8.007 . . . . . . A 46 ARG H . 19751 1 410 . 1 1 49 49 ARG HA H 1 4.233 . . . . . . A 46 ARG HA . 19751 1 411 . 1 1 49 49 ARG HB2 H 1 2.046 . . . . . . A 46 ARG HB2 . 19751 1 412 . 1 1 49 49 ARG HB3 H 1 1.944 . . . . . . A 46 ARG HB3 . 19751 1 413 . 1 1 49 49 ARG HG2 H 1 1.333 . . . . . . A 46 ARG HG2 . 19751 1 414 . 1 1 49 49 ARG HG3 H 1 1.333 . . . . . . A 46 ARG HG3 . 19751 1 415 . 1 1 49 49 ARG HD2 H 1 2.273 . . . . . . A 46 ARG HD2 . 19751 1 416 . 1 1 49 49 ARG HD3 H 1 2.243 . . . . . . A 46 ARG HD3 . 19751 1 417 . 1 1 49 49 ARG CA C 13 56.464 . . . . . . A 46 ARG CA . 19751 1 418 . 1 1 49 49 ARG CB C 13 29.971 . . . . . . A 46 ARG CB . 19751 1 419 . 1 1 49 49 ARG CG C 13 29.44 . . . . . . A 46 ARG CG . 19751 1 420 . 1 1 49 49 ARG N N 15 120.522 . . . . . . A 46 ARG N . 19751 1 421 . 1 1 50 50 ARG H H 1 8.324 . . . . . . A 47 ARG H . 19751 1 422 . 1 1 50 50 ARG N N 15 121.01 . . . . . . A 47 ARG N . 19751 1 423 . 1 1 51 51 GLY HA2 H 1 3.934 . . . . . . A 48 GLY HA2 . 19751 1 424 . 1 1 51 51 GLY HA3 H 1 3.934 . . . . . . A 48 GLY HA3 . 19751 1 425 . 1 1 51 51 GLY CA C 13 45.34 . . . . . . A 48 GLY CA . 19751 1 426 . 1 1 52 52 ASP H H 1 8.225 . . . . . . A 49 ASP H . 19751 1 427 . 1 1 52 52 ASP HA H 1 4.619 . . . . . . A 49 ASP HA . 19751 1 428 . 1 1 52 52 ASP HB2 H 1 2.683 . . . . . . A 49 ASP HB2 . 19751 1 429 . 1 1 52 52 ASP HB3 H 1 2.683 . . . . . . A 49 ASP HB3 . 19751 1 430 . 1 1 52 52 ASP CA C 13 54.33 . . . . . . A 49 ASP CA . 19751 1 431 . 1 1 52 52 ASP CB C 13 41.163 . . . . . . A 49 ASP CB . 19751 1 432 . 1 1 52 52 ASP N N 15 120.513 . . . . . . A 49 ASP N . 19751 1 433 . 1 1 53 53 VAL H H 1 8.024 . . . . . . A 50 VAL H . 19751 1 434 . 1 1 53 53 VAL HA H 1 4.072 . . . . . . A 50 VAL HA . 19751 1 435 . 1 1 53 53 VAL HB H 1 2.05 . . . . . . A 50 VAL HB . 19751 1 436 . 1 1 53 53 VAL HG11 H 1 0.921 . . . . . . A 50 VAL HG11 . 19751 1 437 . 1 1 53 53 VAL HG12 H 1 0.921 . . . . . . A 50 VAL HG12 . 19751 1 438 . 1 1 53 53 VAL HG13 H 1 0.921 . . . . . . A 50 VAL HG13 . 19751 1 439 . 1 1 53 53 VAL HG21 H 1 0.923 . . . . . . A 50 VAL HG21 . 19751 1 440 . 1 1 53 53 VAL HG22 H 1 0.923 . . . . . . A 50 VAL HG22 . 19751 1 441 . 1 1 53 53 VAL HG23 H 1 0.923 . . . . . . A 50 VAL HG23 . 19751 1 442 . 1 1 53 53 VAL CA C 13 62.402 . . . . . . A 50 VAL CA . 19751 1 443 . 1 1 53 53 VAL CB C 13 32.794 . . . . . . A 50 VAL CB . 19751 1 444 . 1 1 53 53 VAL CG1 C 13 20.532 . . . . . . A 50 VAL CG1 . 19751 1 445 . 1 1 53 53 VAL N N 15 119.718 . . . . . . A 50 VAL N . 19751 1 446 . 1 1 54 54 LEU H H 1 8.305 . . . . . . A 51 LEU H . 19751 1 447 . 1 1 54 54 LEU HA H 1 4.346 . . . . . . A 51 LEU HA . 19751 1 448 . 1 1 54 54 LEU HB2 H 1 1.624 . . . . . . A 51 LEU HB2 . 19751 1 449 . 1 1 54 54 LEU HB3 H 1 1.624 . . . . . . A 51 LEU HB3 . 19751 1 450 . 1 1 54 54 LEU HG H 1 1.598 . . . . . . A 51 LEU HG . 19751 1 451 . 1 1 54 54 LEU HD11 H 1 0.908 . . . . . . A 51 LEU HD11 . 19751 1 452 . 1 1 54 54 LEU HD12 H 1 0.908 . . . . . . A 51 LEU HD12 . 19751 1 453 . 1 1 54 54 LEU HD13 H 1 0.908 . . . . . . A 51 LEU HD13 . 19751 1 454 . 1 1 54 54 LEU HD21 H 1 0.85 . . . . . . A 51 LEU HD21 . 19751 1 455 . 1 1 54 54 LEU HD22 H 1 0.85 . . . . . . A 51 LEU HD22 . 19751 1 456 . 1 1 54 54 LEU HD23 H 1 0.85 . . . . . . A 51 LEU HD23 . 19751 1 457 . 1 1 54 54 LEU CA C 13 55.37 . . . . . . A 51 LEU CA . 19751 1 458 . 1 1 54 54 LEU CB C 13 42.379 . . . . . . A 51 LEU CB . 19751 1 459 . 1 1 54 54 LEU CG C 13 26.899 . . . . . . A 51 LEU CG . 19751 1 460 . 1 1 54 54 LEU CD1 C 13 24.85 . . . . . . A 51 LEU CD1 . 19751 1 461 . 1 1 54 54 LEU CD2 C 13 23.458 . . . . . . A 51 LEU CD2 . 19751 1 462 . 1 1 54 54 LEU N N 15 125.249 . . . . . . A 51 LEU N . 19751 1 463 . 1 1 55 55 MET HA H 1 4.458 . . . . . . A 52 MET HA . 19751 1 464 . 1 1 55 55 MET HB2 H 1 2.078 . . . . . . A 52 MET HB2 . 19751 1 465 . 1 1 55 55 MET HB3 H 1 2.001 . . . . . . A 52 MET HB3 . 19751 1 466 . 1 1 55 55 MET HG2 H 1 2.594 . . . . . . A 52 MET HG2 . 19751 1 467 . 1 1 55 55 MET HG3 H 1 2.518 . . . . . . A 52 MET HG3 . 19751 1 468 . 1 1 55 55 MET CA C 13 55.417 . . . . . . A 52 MET CA . 19751 1 469 . 1 1 55 55 MET CB C 13 32.264 . . . . . . A 52 MET CB . 19751 1 470 . 1 1 55 55 MET CG C 13 32.007 . . . . . . A 52 MET CG . 19751 1 471 . 1 1 56 56 GLN H H 1 8.373 . . . . . . A 53 GLN H . 19751 1 472 . 1 1 56 56 GLN HA H 1 4.307 . . . . . . A 53 GLN HA . 19751 1 473 . 1 1 56 56 GLN HB2 H 1 2.101 . . . . . . A 53 GLN HB2 . 19751 1 474 . 1 1 56 56 GLN HB3 H 1 1.985 . . . . . . A 53 GLN HB3 . 19751 1 475 . 1 1 56 56 GLN HG2 H 1 2.345 . . . . . . A 53 GLN HG2 . 19751 1 476 . 1 1 56 56 GLN HG3 H 1 2.345 . . . . . . A 53 GLN HG3 . 19751 1 477 . 1 1 56 56 GLN CA C 13 56.214 . . . . . . A 53 GLN CA . 19751 1 478 . 1 1 56 56 GLN CB C 13 29.697 . . . . . . A 53 GLN CB . 19751 1 479 . 1 1 56 56 GLN CG C 13 33.898 . . . . . . A 53 GLN CG . 19751 1 480 . 1 1 56 56 GLN N N 15 121.447 . . . . . . A 53 GLN N . 19751 1 481 . 1 1 57 57 GLY H H 1 8.456 . . . . . . A 54 GLY H . 19751 1 482 . 1 1 57 57 GLY HA2 H 1 3.944 . . . . . . A 54 GLY HA2 . 19751 1 483 . 1 1 57 57 GLY HA3 H 1 3.944 . . . . . . A 54 GLY HA3 . 19751 1 484 . 1 1 57 57 GLY CA C 13 45.25 . . . . . . A 54 GLY CA . 19751 1 485 . 1 1 57 57 GLY N N 15 110.484 . . . . . . A 54 GLY N . 19751 1 486 . 1 1 58 58 ALA H H 1 8.113 . . . . . . A 55 ALA H . 19751 1 487 . 1 1 58 58 ALA HA H 1 4.307 . . . . . . A 55 ALA HA . 19751 1 488 . 1 1 58 58 ALA HB1 H 1 1.37 . . . . . . A 55 ALA HB1 . 19751 1 489 . 1 1 58 58 ALA HB2 H 1 1.37 . . . . . . A 55 ALA HB2 . 19751 1 490 . 1 1 58 58 ALA HB3 H 1 1.37 . . . . . . A 55 ALA HB3 . 19751 1 491 . 1 1 58 58 ALA C C 13 177.397 . . . . . . A 55 ALA C . 19751 1 492 . 1 1 58 58 ALA CA C 13 52.617 . . . . . . A 55 ALA CA . 19751 1 493 . 1 1 58 58 ALA CB C 13 19.308 . . . . . . A 55 ALA CB . 19751 1 494 . 1 1 58 58 ALA N N 15 123.673 . . . . . . A 55 ALA N . 19751 1 495 . 1 1 59 59 ALA H H 1 8.297 . . . . . . A 56 ALA H . 19751 1 496 . 1 1 59 59 ALA HA H 1 4.303 . . . . . . A 56 ALA HA . 19751 1 497 . 1 1 59 59 ALA HB1 H 1 1.365 . . . . . . A 56 ALA HB1 . 19751 1 498 . 1 1 59 59 ALA HB2 H 1 1.365 . . . . . . A 56 ALA HB2 . 19751 1 499 . 1 1 59 59 ALA HB3 H 1 1.365 . . . . . . A 56 ALA HB3 . 19751 1 500 . 1 1 59 59 ALA C C 13 177.446 . . . . . . A 56 ALA C . 19751 1 501 . 1 1 59 59 ALA CA C 13 52.433 . . . . . . A 56 ALA CA . 19751 1 502 . 1 1 59 59 ALA CB C 13 19.308 . . . . . . A 56 ALA CB . 19751 1 503 . 1 1 59 59 ALA N N 15 123.295 . . . . . . A 56 ALA N . 19751 1 504 . 1 1 60 60 SER H H 1 8.258 . . . . . . A 57 SER H . 19751 1 505 . 1 1 60 60 SER HA H 1 4.737 . . . . . . A 57 SER HA . 19751 1 506 . 1 1 60 60 SER HB2 H 1 3.853 . . . . . . A 57 SER HB2 . 19751 1 507 . 1 1 60 60 SER HB3 H 1 3.853 . . . . . . A 57 SER HB3 . 19751 1 508 . 1 1 60 60 SER CA C 13 56.332 . . . . . . A 57 SER CA . 19751 1 509 . 1 1 60 60 SER CB C 13 63.567 . . . . . . A 57 SER CB . 19751 1 510 . 1 1 60 60 SER N N 15 116.534 . . . . . . A 57 SER N . 19751 1 511 . 1 1 61 61 PRO HA H 1 4.402 . . . . . . A 58 PRO HA . 19751 1 512 . 1 1 61 61 PRO HB2 H 1 1.935 . . . . . . A 58 PRO HB2 . 19751 1 513 . 1 1 61 61 PRO HB3 H 1 2.29 . . . . . . A 58 PRO HB3 . 19751 1 514 . 1 1 61 61 PRO HG2 H 1 2.011 . . . . . . A 58 PRO HG2 . 19751 1 515 . 1 1 61 61 PRO HG3 H 1 2.011 . . . . . . A 58 PRO HG3 . 19751 1 516 . 1 1 61 61 PRO HD2 H 1 3.797 . . . . . . A 58 PRO HD2 . 19751 1 517 . 1 1 61 61 PRO HD3 H 1 3.797 . . . . . . A 58 PRO HD3 . 19751 1 518 . 1 1 61 61 PRO C C 13 176.874 . . . . . . A 58 PRO C . 19751 1 519 . 1 1 61 61 PRO CA C 13 63.357 . . . . . . A 58 PRO CA . 19751 1 520 . 1 1 61 61 PRO CB C 13 32.035 . . . . . . A 58 PRO CB . 19751 1 521 . 1 1 61 61 PRO CG C 13 27.152 . . . . . . A 58 PRO CG . 19751 1 522 . 1 1 61 61 PRO CD C 13 50.738 . . . . . . A 58 PRO CD . 19751 1 523 . 1 1 62 62 GLU H H 1 8.556 . . . . . . A 59 GLU H . 19751 1 524 . 1 1 62 62 GLU HA H 1 4.236 . . . . . . A 59 GLU HA . 19751 1 525 . 1 1 62 62 GLU HB2 H 1 2.028 . . . . . . A 59 GLU HB2 . 19751 1 526 . 1 1 62 62 GLU HB3 H 1 1.938 . . . . . . A 59 GLU HB3 . 19751 1 527 . 1 1 62 62 GLU HG2 H 1 2.268 . . . . . . A 59 GLU HG2 . 19751 1 528 . 1 1 62 62 GLU HG3 H 1 2.268 . . . . . . A 59 GLU HG3 . 19751 1 529 . 1 1 62 62 GLU C C 13 176.383 . . . . . . A 59 GLU C . 19751 1 530 . 1 1 62 62 GLU CA C 13 56.575 . . . . . . A 59 GLU CA . 19751 1 531 . 1 1 62 62 GLU CB C 13 30.103 . . . . . . A 59 GLU CB . 19751 1 532 . 1 1 62 62 GLU CG C 13 36.253 . . . . . . A 59 GLU CG . 19751 1 533 . 1 1 62 62 GLU N N 15 120.545 . . . . . . A 59 GLU N . 19751 1 534 . 1 1 63 63 LEU H H 1 8.205 . . . . . . A 60 LEU H . 19751 1 535 . 1 1 63 63 LEU HA H 1 4.444 . . . . . . A 60 LEU HA . 19751 1 536 . 1 1 63 63 LEU HB2 H 1 1.661 . . . . . . A 60 LEU HB2 . 19751 1 537 . 1 1 63 63 LEU HB3 H 1 1.607 . . . . . . A 60 LEU HB3 . 19751 1 538 . 1 1 63 63 LEU HG H 1 1.636 . . . . . . A 60 LEU HG . 19751 1 539 . 1 1 63 63 LEU HD11 H 1 0.858 . . . . . . A 60 LEU HD11 . 19751 1 540 . 1 1 63 63 LEU HD12 H 1 0.858 . . . . . . A 60 LEU HD12 . 19751 1 541 . 1 1 63 63 LEU HD13 H 1 0.858 . . . . . . A 60 LEU HD13 . 19751 1 542 . 1 1 63 63 LEU HD21 H 1 0.924 . . . . . . A 60 LEU HD21 . 19751 1 543 . 1 1 63 63 LEU HD22 H 1 0.924 . . . . . . A 60 LEU HD22 . 19751 1 544 . 1 1 63 63 LEU HD23 H 1 0.924 . . . . . . A 60 LEU HD23 . 19751 1 545 . 1 1 63 63 LEU C C 13 177.201 . . . . . . A 60 LEU C . 19751 1 546 . 1 1 63 63 LEU CA C 13 55.12 . . . . . . A 60 LEU CA . 19751 1 547 . 1 1 63 63 LEU CB C 13 42.288 . . . . . . A 60 LEU CB . 19751 1 548 . 1 1 63 63 LEU CD1 C 13 23.616 . . . . . . A 60 LEU CD1 . 19751 1 549 . 1 1 63 63 LEU CD2 C 13 25.095 . . . . . . A 60 LEU CD2 . 19751 1 550 . 1 1 63 63 LEU N N 15 122.946 . . . . . . A 60 LEU N . 19751 1 551 . 1 1 64 64 THR H H 1 8.149 . . . . . . A 61 THR H . 19751 1 552 . 1 1 64 64 THR HA H 1 4.38 . . . . . . A 61 THR HA . 19751 1 553 . 1 1 64 64 THR HB H 1 4.19 . . . . . . A 61 THR HB . 19751 1 554 . 1 1 64 64 THR HG21 H 1 1.172 . . . . . . A 61 THR HG21 . 19751 1 555 . 1 1 64 64 THR HG22 H 1 1.172 . . . . . . A 61 THR HG22 . 19751 1 556 . 1 1 64 64 THR HG23 H 1 1.172 . . . . . . A 61 THR HG23 . 19751 1 557 . 1 1 64 64 THR C C 13 174.201 . . . . . . A 61 THR C . 19751 1 558 . 1 1 64 64 THR CA C 13 61.792 . . . . . . A 61 THR CA . 19751 1 559 . 1 1 64 64 THR CB C 13 69.77 . . . . . . A 61 THR CB . 19751 1 560 . 1 1 64 64 THR CG2 C 13 21.588 . . . . . . A 61 THR CG2 . 19751 1 561 . 1 1 64 64 THR N N 15 115.168 . . . . . . A 61 THR N . 19751 1 562 . 1 1 65 65 VAL H H 1 8.091 . . . . . . A 62 VAL H . 19751 1 563 . 1 1 65 65 VAL HA H 1 4.319 . . . . . . A 62 VAL HA . 19751 1 564 . 1 1 65 65 VAL HB H 1 2.128 . . . . . . A 62 VAL HB . 19751 1 565 . 1 1 65 65 VAL HG11 H 1 0.944 . . . . . . A 62 VAL HG11 . 19751 1 566 . 1 1 65 65 VAL HG12 H 1 0.944 . . . . . . A 62 VAL HG12 . 19751 1 567 . 1 1 65 65 VAL HG13 H 1 0.944 . . . . . . A 62 VAL HG13 . 19751 1 568 . 1 1 65 65 VAL HG21 H 1 0.935 . . . . . . A 62 VAL HG21 . 19751 1 569 . 1 1 65 65 VAL HG22 H 1 0.935 . . . . . . A 62 VAL HG22 . 19751 1 570 . 1 1 65 65 VAL HG23 H 1 0.935 . . . . . . A 62 VAL HG23 . 19751 1 571 . 1 1 65 65 VAL C C 13 175.921 . . . . . . A 62 VAL C . 19751 1 572 . 1 1 65 65 VAL CA C 13 61.709 . . . . . . A 62 VAL CA . 19751 1 573 . 1 1 65 65 VAL CB C 13 33.355 . . . . . . A 62 VAL CB . 19751 1 574 . 1 1 65 65 VAL CG1 C 13 21.421 . . . . . . A 62 VAL CG1 . 19751 1 575 . 1 1 65 65 VAL N N 15 121.65 . . . . . . A 62 VAL N . 19751 1 576 . 1 1 66 66 SER H H 1 8.524 . . . . . . A 63 SER H . 19751 1 577 . 1 1 66 66 SER HA H 1 4.542 . . . . . . A 63 SER HA . 19751 1 578 . 1 1 66 66 SER HB2 H 1 3.847 . . . . . . A 63 SER HB2 . 19751 1 579 . 1 1 66 66 SER HB3 H 1 3.847 . . . . . . A 63 SER HB3 . 19751 1 580 . 1 1 66 66 SER C C 13 174.254 . . . . . . A 63 SER C . 19751 1 581 . 1 1 66 66 SER CA C 13 58.375 . . . . . . A 63 SER CA . 19751 1 582 . 1 1 66 66 SER CB C 13 64.196 . . . . . . A 63 SER CB . 19751 1 583 . 1 1 66 66 SER N N 15 120.076 . . . . . . A 63 SER N . 19751 1 584 . 1 1 67 67 GLY H H 1 8.255 . . . . . . A 64 GLY H . 19751 1 585 . 1 1 67 67 GLY HA2 H 1 4.284 . . . . . . A 64 GLY HA2 . 19751 1 586 . 1 1 67 67 GLY HA3 H 1 4.02 . . . . . . A 64 GLY HA3 . 19751 1 587 . 1 1 67 67 GLY CA C 13 45.384 . . . . . . A 64 GLY CA . 19751 1 588 . 1 1 67 67 GLY N N 15 109.912 . . . . . . A 64 GLY N . 19751 1 589 . 1 1 68 68 THR H H 1 8.468 . . . . . . A 65 THR H . 19751 1 590 . 1 1 68 68 THR HA H 1 4.929 . . . . . . A 65 THR HA . 19751 1 591 . 1 1 68 68 THR HB H 1 3.954 . . . . . . A 65 THR HB . 19751 1 592 . 1 1 68 68 THR HG21 H 1 1.096 . . . . . . A 65 THR HG21 . 19751 1 593 . 1 1 68 68 THR HG22 H 1 1.096 . . . . . . A 65 THR HG22 . 19751 1 594 . 1 1 68 68 THR HG23 H 1 1.096 . . . . . . A 65 THR HG23 . 19751 1 595 . 1 1 68 68 THR CA C 13 60.826 . . . . . . A 65 THR CA . 19751 1 596 . 1 1 68 68 THR CB C 13 71.805 . . . . . . A 65 THR CB . 19751 1 597 . 1 1 68 68 THR CG2 C 13 22.524 . . . . . . A 65 THR CG2 . 19751 1 598 . 1 1 68 68 THR N N 15 114.2 . . . . . . A 65 THR N . 19751 1 599 . 1 1 69 69 LEU H H 1 9.054 . . . . . . A 66 LEU H . 19751 1 600 . 1 1 69 69 LEU HA H 1 4.921 . . . . . . A 66 LEU HA . 19751 1 601 . 1 1 69 69 LEU HB2 H 1 1.524 . . . . . . A 66 LEU HB2 . 19751 1 602 . 1 1 69 69 LEU HB3 H 1 1.267 . . . . . . A 66 LEU HB3 . 19751 1 603 . 1 1 69 69 LEU HG H 1 0.69 . . . . . . A 66 LEU HG . 19751 1 604 . 1 1 69 69 LEU HD11 H 1 0.697 . . . . . . A 66 LEU HD11 . 19751 1 605 . 1 1 69 69 LEU HD12 H 1 0.697 . . . . . . A 66 LEU HD12 . 19751 1 606 . 1 1 69 69 LEU HD13 H 1 0.697 . . . . . . A 66 LEU HD13 . 19751 1 607 . 1 1 69 69 LEU HD21 H 1 0.686 . . . . . . A 66 LEU HD21 . 19751 1 608 . 1 1 69 69 LEU HD22 H 1 0.686 . . . . . . A 66 LEU HD22 . 19751 1 609 . 1 1 69 69 LEU HD23 H 1 0.686 . . . . . . A 66 LEU HD23 . 19751 1 610 . 1 1 69 69 LEU C C 13 174.364 . . . . . . A 66 LEU C . 19751 1 611 . 1 1 69 69 LEU CA C 13 53.41 . . . . . . A 66 LEU CA . 19751 1 612 . 1 1 69 69 LEU CB C 13 44.45 . . . . . . A 66 LEU CB . 19751 1 613 . 1 1 69 69 LEU CG C 13 26.008 . . . . . . A 66 LEU CG . 19751 1 614 . 1 1 69 69 LEU N N 15 122.673 . . . . . . A 66 LEU N . 19751 1 615 . 1 1 70 70 LEU H H 1 8.927 . . . . . . A 67 LEU H . 19751 1 616 . 1 1 70 70 LEU HA H 1 5.208 . . . . . . A 67 LEU HA . 19751 1 617 . 1 1 70 70 LEU HB2 H 1 1.657 . . . . . . A 67 LEU HB2 . 19751 1 618 . 1 1 70 70 LEU HB3 H 1 1.264 . . . . . . A 67 LEU HB3 . 19751 1 619 . 1 1 70 70 LEU HG H 1 1.481 . . . . . . A 67 LEU HG . 19751 1 620 . 1 1 70 70 LEU HD11 H 1 0.759 . . . . . . A 67 LEU HD11 . 19751 1 621 . 1 1 70 70 LEU HD12 H 1 0.759 . . . . . . A 67 LEU HD12 . 19751 1 622 . 1 1 70 70 LEU HD13 H 1 0.759 . . . . . . A 67 LEU HD13 . 19751 1 623 . 1 1 70 70 LEU HD21 H 1 0.765 . . . . . . A 67 LEU HD21 . 19751 1 624 . 1 1 70 70 LEU HD22 H 1 0.765 . . . . . . A 67 LEU HD22 . 19751 1 625 . 1 1 70 70 LEU HD23 H 1 0.765 . . . . . . A 67 LEU HD23 . 19751 1 626 . 1 1 70 70 LEU C C 13 177.107 . . . . . . A 67 LEU C . 19751 1 627 . 1 1 70 70 LEU CA C 13 53.773 . . . . . . A 67 LEU CA . 19751 1 628 . 1 1 70 70 LEU CB C 13 42.206 . . . . . . A 67 LEU CB . 19751 1 629 . 1 1 70 70 LEU CG C 13 27.906 . . . . . . A 67 LEU CG . 19751 1 630 . 1 1 70 70 LEU CD1 C 13 24.87 . . . . . . A 67 LEU CD1 . 19751 1 631 . 1 1 70 70 LEU N N 15 124.219 . . . . . . A 67 LEU N . 19751 1 632 . 1 1 71 71 VAL H H 1 9.345 . . . . . . A 68 VAL H . 19751 1 633 . 1 1 71 71 VAL HA H 1 4.856 . . . . . . A 68 VAL HA . 19751 1 634 . 1 1 71 71 VAL HB H 1 1.818 . . . . . . A 68 VAL HB . 19751 1 635 . 1 1 71 71 VAL HG11 H 1 0.812 . . . . . . A 68 VAL HG11 . 19751 1 636 . 1 1 71 71 VAL HG12 H 1 0.812 . . . . . . A 68 VAL HG12 . 19751 1 637 . 1 1 71 71 VAL HG13 H 1 0.812 . . . . . . A 68 VAL HG13 . 19751 1 638 . 1 1 71 71 VAL HG21 H 1 0.741 . . . . . . A 68 VAL HG21 . 19751 1 639 . 1 1 71 71 VAL HG22 H 1 0.741 . . . . . . A 68 VAL HG22 . 19751 1 640 . 1 1 71 71 VAL HG23 H 1 0.741 . . . . . . A 68 VAL HG23 . 19751 1 641 . 1 1 71 71 VAL C C 13 174.079 . . . . . . A 68 VAL C . 19751 1 642 . 1 1 71 71 VAL CA C 13 59.858 . . . . . . A 68 VAL CA . 19751 1 643 . 1 1 71 71 VAL CB C 13 35.015 . . . . . . A 68 VAL CB . 19751 1 644 . 1 1 71 71 VAL CG1 C 13 21.815 . . . . . . A 68 VAL CG1 . 19751 1 645 . 1 1 71 71 VAL CG2 C 13 21.533 . . . . . . A 68 VAL CG2 . 19751 1 646 . 1 1 71 71 VAL N N 15 121.113 . . . . . . A 68 VAL N . 19751 1 647 . 1 1 72 72 GLU H H 1 8.11 . . . . . . A 69 GLU H . 19751 1 648 . 1 1 72 72 GLU HA H 1 4.899 . . . . . . A 69 GLU HA . 19751 1 649 . 1 1 72 72 GLU HB2 H 1 2.296 . . . . . . A 69 GLU HB2 . 19751 1 650 . 1 1 72 72 GLU HB3 H 1 1.855 . . . . . . A 69 GLU HB3 . 19751 1 651 . 1 1 72 72 GLU HG2 H 1 2.192 . . . . . . A 69 GLU HG2 . 19751 1 652 . 1 1 72 72 GLU HG3 H 1 2.142 . . . . . . A 69 GLU HG3 . 19751 1 653 . 1 1 72 72 GLU C C 13 173.485 . . . . . . A 69 GLU C . 19751 1 654 . 1 1 72 72 GLU CA C 13 55.347 . . . . . . A 69 GLU CA . 19751 1 655 . 1 1 72 72 GLU CB C 13 28.971 . . . . . . A 69 GLU CB . 19751 1 656 . 1 1 72 72 GLU CG C 13 35.95 . . . . . . A 69 GLU CG . 19751 1 657 . 1 1 72 72 GLU N N 15 127.682 . . . . . . A 69 GLU N . 19751 1 658 . 1 1 73 73 ALA H H 1 7.991 . . . . . . A 70 ALA H . 19751 1 659 . 1 1 73 73 ALA HA H 1 4.564 . . . . . . A 70 ALA HA . 19751 1 660 . 1 1 73 73 ALA HB1 H 1 1.26 . . . . . . A 70 ALA HB1 . 19751 1 661 . 1 1 73 73 ALA HB2 H 1 1.26 . . . . . . A 70 ALA HB2 . 19751 1 662 . 1 1 73 73 ALA HB3 H 1 1.26 . . . . . . A 70 ALA HB3 . 19751 1 663 . 1 1 73 73 ALA C C 13 174.853 . . . . . . A 70 ALA C . 19751 1 664 . 1 1 73 73 ALA CA C 13 51.704 . . . . . . A 70 ALA CA . 19751 1 665 . 1 1 73 73 ALA CB C 13 21.431 . . . . . . A 70 ALA CB . 19751 1 666 . 1 1 73 73 ALA N N 15 130.042 . . . . . . A 70 ALA N . 19751 1 667 . 1 1 74 74 ASP H H 1 8.025 . . . . . . A 71 ASP H . 19751 1 668 . 1 1 74 74 ASP HA H 1 4.58 . . . . . . A 71 ASP HA . 19751 1 669 . 1 1 74 74 ASP HB2 H 1 3.01 . . . . . . A 71 ASP HB2 . 19751 1 670 . 1 1 74 74 ASP HB3 H 1 2.766 . . . . . . A 71 ASP HB3 . 19751 1 671 . 1 1 74 74 ASP C C 13 175.16 . . . . . . A 71 ASP C . 19751 1 672 . 1 1 74 74 ASP CA C 13 53.043 . . . . . . A 71 ASP CA . 19751 1 673 . 1 1 74 74 ASP CB C 13 40.922 . . . . . . A 71 ASP CB . 19751 1 674 . 1 1 74 74 ASP N N 15 117.021 . . . . . . A 71 ASP N . 19751 1 675 . 1 1 75 75 ASP H H 1 8.644 . . . . . . A 72 ASP H . 19751 1 676 . 1 1 75 75 ASP HA H 1 4.123 . . . . . . A 72 ASP HA . 19751 1 677 . 1 1 75 75 ASP HB2 H 1 2.619 . . . . . . A 72 ASP HB2 . 19751 1 678 . 1 1 75 75 ASP HB3 H 1 2.325 . . . . . . A 72 ASP HB3 . 19751 1 679 . 1 1 75 75 ASP C C 13 177.598 . . . . . . A 72 ASP C . 19751 1 680 . 1 1 75 75 ASP CA C 13 58.457 . . . . . . A 72 ASP CA . 19751 1 681 . 1 1 75 75 ASP CB C 13 39.989 . . . . . . A 72 ASP CB . 19751 1 682 . 1 1 75 75 ASP N N 15 119.867 . . . . . . A 72 ASP N . 19751 1 683 . 1 1 76 76 ALA H H 1 8.212 . . . . . . A 73 ALA H . 19751 1 684 . 1 1 76 76 ALA HA H 1 3.952 . . . . . . A 73 ALA HA . 19751 1 685 . 1 1 76 76 ALA HB1 H 1 1.4 . . . . . . A 73 ALA HB1 . 19751 1 686 . 1 1 76 76 ALA HB2 H 1 1.4 . . . . . . A 73 ALA HB2 . 19751 1 687 . 1 1 76 76 ALA HB3 H 1 1.4 . . . . . . A 73 ALA HB3 . 19751 1 688 . 1 1 76 76 ALA C C 13 181.711 . . . . . . A 73 ALA C . 19751 1 689 . 1 1 76 76 ALA CA C 13 55.357 . . . . . . A 73 ALA CA . 19751 1 690 . 1 1 76 76 ALA CB C 13 17.821 . . . . . . A 73 ALA CB . 19751 1 691 . 1 1 76 76 ALA N N 15 120.735 . . . . . . A 73 ALA N . 19751 1 692 . 1 1 77 77 SER H H 1 8.376 . . . . . . A 74 SER H . 19751 1 693 . 1 1 77 77 SER HA H 1 4.207 . . . . . . A 74 SER HA . 19751 1 694 . 1 1 77 77 SER HB2 H 1 3.956 . . . . . . A 74 SER HB2 . 19751 1 695 . 1 1 77 77 SER HB3 H 1 3.785 . . . . . . A 74 SER HB3 . 19751 1 696 . 1 1 77 77 SER C C 13 176.918 . . . . . . A 74 SER C . 19751 1 697 . 1 1 77 77 SER CA C 13 61.632 . . . . . . A 74 SER CA . 19751 1 698 . 1 1 77 77 SER CB C 13 62.233 . . . . . . A 74 SER CB . 19751 1 699 . 1 1 77 77 SER N N 15 116.971 . . . . . . A 74 SER N . 19751 1 700 . 1 1 78 78 ALA H H 1 9.121 . . . . . . A 75 ALA H . 19751 1 701 . 1 1 78 78 ALA HA H 1 3.822 . . . . . . A 75 ALA HA . 19751 1 702 . 1 1 78 78 ALA HB1 H 1 1.293 . . . . . . A 75 ALA HB1 . 19751 1 703 . 1 1 78 78 ALA HB2 H 1 1.293 . . . . . . A 75 ALA HB2 . 19751 1 704 . 1 1 78 78 ALA HB3 H 1 1.293 . . . . . . A 75 ALA HB3 . 19751 1 705 . 1 1 78 78 ALA C C 13 179.16 . . . . . . A 75 ALA C . 19751 1 706 . 1 1 78 78 ALA CA C 13 55.301 . . . . . . A 75 ALA CA . 19751 1 707 . 1 1 78 78 ALA CB C 13 18.512 . . . . . . A 75 ALA CB . 19751 1 708 . 1 1 78 78 ALA N N 15 124.844 . . . . . . A 75 ALA N . 19751 1 709 . 1 1 79 79 LYS H H 1 8.306 . . . . . . A 76 LYS H . 19751 1 710 . 1 1 79 79 LYS HA H 1 3.805 . . . . . . A 76 LYS HA . 19751 1 711 . 1 1 79 79 LYS HB2 H 1 1.778 . . . . . . A 76 LYS HB2 . 19751 1 712 . 1 1 79 79 LYS HB3 H 1 1.631 . . . . . . A 76 LYS HB3 . 19751 1 713 . 1 1 79 79 LYS HG2 H 1 0.963 . . . . . . A 76 LYS HG2 . 19751 1 714 . 1 1 79 79 LYS HG3 H 1 0.818 . . . . . . A 76 LYS HG3 . 19751 1 715 . 1 1 79 79 LYS HD2 H 1 1.358 . . . . . . A 76 LYS HD2 . 19751 1 716 . 1 1 79 79 LYS HD3 H 1 1.252 . . . . . . A 76 LYS HD3 . 19751 1 717 . 1 1 79 79 LYS HE2 H 1 2.293 . . . . . . A 76 LYS HE2 . 19751 1 718 . 1 1 79 79 LYS HE3 H 1 2.084 . . . . . . A 76 LYS HE3 . 19751 1 719 . 1 1 79 79 LYS C C 13 179.175 . . . . . . A 76 LYS C . 19751 1 720 . 1 1 79 79 LYS CA C 13 60.138 . . . . . . A 76 LYS CA . 19751 1 721 . 1 1 79 79 LYS CB C 13 32.362 . . . . . . A 76 LYS CB . 19751 1 722 . 1 1 79 79 LYS CG C 13 26.759 . . . . . . A 76 LYS CG . 19751 1 723 . 1 1 79 79 LYS CD C 13 29.061 . . . . . . A 76 LYS CD . 19751 1 724 . 1 1 79 79 LYS CE C 13 41.913 . . . . . . A 76 LYS CE . 19751 1 725 . 1 1 79 79 LYS N N 15 117.821 . . . . . . A 76 LYS N . 19751 1 726 . 1 1 80 80 ALA H H 1 7.584 . . . . . . A 77 ALA H . 19751 1 727 . 1 1 80 80 ALA HA H 1 4.19 . . . . . . A 77 ALA HA . 19751 1 728 . 1 1 80 80 ALA HB1 H 1 1.504 . . . . . . A 77 ALA HB1 . 19751 1 729 . 1 1 80 80 ALA HB2 H 1 1.504 . . . . . . A 77 ALA HB2 . 19751 1 730 . 1 1 80 80 ALA HB3 H 1 1.504 . . . . . . A 77 ALA HB3 . 19751 1 731 . 1 1 80 80 ALA C C 13 180.868 . . . . . . A 77 ALA C . 19751 1 732 . 1 1 80 80 ALA CA C 13 55.152 . . . . . . A 77 ALA CA . 19751 1 733 . 1 1 80 80 ALA CB C 13 17.832 . . . . . . A 77 ALA CB . 19751 1 734 . 1 1 80 80 ALA N N 15 122.703 . . . . . . A 77 ALA N . 19751 1 735 . 1 1 81 81 LEU H H 1 8.338 . . . . . . A 78 LEU H . 19751 1 736 . 1 1 81 81 LEU HA H 1 4.036 . . . . . . A 78 LEU HA . 19751 1 737 . 1 1 81 81 LEU HB2 H 1 2.021 . . . . . . A 78 LEU HB2 . 19751 1 738 . 1 1 81 81 LEU HB3 H 1 1.369 . . . . . . A 78 LEU HB3 . 19751 1 739 . 1 1 81 81 LEU HG H 1 1.886 . . . . . . A 78 LEU HG . 19751 1 740 . 1 1 81 81 LEU HD11 H 1 0.876 . . . . . . A 78 LEU HD11 . 19751 1 741 . 1 1 81 81 LEU HD12 H 1 0.876 . . . . . . A 78 LEU HD12 . 19751 1 742 . 1 1 81 81 LEU HD13 H 1 0.876 . . . . . . A 78 LEU HD13 . 19751 1 743 . 1 1 81 81 LEU HD21 H 1 0.802 . . . . . . A 78 LEU HD21 . 19751 1 744 . 1 1 81 81 LEU HD22 H 1 0.802 . . . . . . A 78 LEU HD22 . 19751 1 745 . 1 1 81 81 LEU HD23 H 1 0.802 . . . . . . A 78 LEU HD23 . 19751 1 746 . 1 1 81 81 LEU C C 13 178.87 . . . . . . A 78 LEU C . 19751 1 747 . 1 1 81 81 LEU CA C 13 57.888 . . . . . . A 78 LEU CA . 19751 1 748 . 1 1 81 81 LEU CB C 13 42.479 . . . . . . A 78 LEU CB . 19751 1 749 . 1 1 81 81 LEU CG C 13 26.579 . . . . . . A 78 LEU CG . 19751 1 750 . 1 1 81 81 LEU CD1 C 13 23.851 . . . . . . A 78 LEU CD1 . 19751 1 751 . 1 1 81 81 LEU CD2 C 13 25.799 . . . . . . A 78 LEU CD2 . 19751 1 752 . 1 1 81 81 LEU N N 15 120.574 . . . . . . A 78 LEU N . 19751 1 753 . 1 1 82 82 ALA H H 1 8.491 . . . . . . A 79 ALA H . 19751 1 754 . 1 1 82 82 ALA HA H 1 3.895 . . . . . . A 79 ALA HA . 19751 1 755 . 1 1 82 82 ALA HB1 H 1 1.562 . . . . . . A 79 ALA HB1 . 19751 1 756 . 1 1 82 82 ALA HB2 H 1 1.562 . . . . . . A 79 ALA HB2 . 19751 1 757 . 1 1 82 82 ALA HB3 H 1 1.562 . . . . . . A 79 ALA HB3 . 19751 1 758 . 1 1 82 82 ALA C C 13 179.393 . . . . . . A 79 ALA C . 19751 1 759 . 1 1 82 82 ALA CA C 13 55.76 . . . . . . A 79 ALA CA . 19751 1 760 . 1 1 82 82 ALA CB C 13 17.256 . . . . . . A 79 ALA CB . 19751 1 761 . 1 1 82 82 ALA N N 15 121.156 . . . . . . A 79 ALA N . 19751 1 762 . 1 1 83 83 THR H H 1 8.111 . . . . . . A 80 THR H . 19751 1 763 . 1 1 83 83 THR HA H 1 4.048 . . . . . . A 80 THR HA . 19751 1 764 . 1 1 83 83 THR HB H 1 4.204 . . . . . . A 80 THR HB . 19751 1 765 . 1 1 83 83 THR HG21 H 1 1.269 . . . . . . A 80 THR HG21 . 19751 1 766 . 1 1 83 83 THR HG22 H 1 1.269 . . . . . . A 80 THR HG22 . 19751 1 767 . 1 1 83 83 THR HG23 H 1 1.269 . . . . . . A 80 THR HG23 . 19751 1 768 . 1 1 83 83 THR C C 13 177.034 . . . . . . A 80 THR C . 19751 1 769 . 1 1 83 83 THR CA C 13 66.139 . . . . . . A 80 THR CA . 19751 1 770 . 1 1 83 83 THR CB C 13 69.243 . . . . . . A 80 THR CB . 19751 1 771 . 1 1 83 83 THR CG2 C 13 21.732 . . . . . . A 80 THR CG2 . 19751 1 772 . 1 1 83 83 THR N N 15 114.097 . . . . . . A 80 THR N . 19751 1 773 . 1 1 84 84 ARG H H 1 7.893 . . . . . . A 81 ARG H . 19751 1 774 . 1 1 84 84 ARG HA H 1 3.943 . . . . . . A 81 ARG HA . 19751 1 775 . 1 1 84 84 ARG HB2 H 1 1.772 . . . . . . A 81 ARG HB2 . 19751 1 776 . 1 1 84 84 ARG HB3 H 1 1.597 . . . . . . A 81 ARG HB3 . 19751 1 777 . 1 1 84 84 ARG HG2 H 1 1.411 . . . . . . A 81 ARG HG2 . 19751 1 778 . 1 1 84 84 ARG HG3 H 1 0.92 . . . . . . A 81 ARG HG3 . 19751 1 779 . 1 1 84 84 ARG HD2 H 1 3.034 . . . . . . A 81 ARG HD2 . 19751 1 780 . 1 1 84 84 ARG HD3 H 1 3.034 . . . . . . A 81 ARG HD3 . 19751 1 781 . 1 1 84 84 ARG C C 13 177.546 . . . . . . A 81 ARG C . 19751 1 782 . 1 1 84 84 ARG CA C 13 59.04 . . . . . . A 81 ARG CA . 19751 1 783 . 1 1 84 84 ARG CB C 13 30.723 . . . . . . A 81 ARG CB . 19751 1 784 . 1 1 84 84 ARG CG C 13 27.006 . . . . . . A 81 ARG CG . 19751 1 785 . 1 1 84 84 ARG CD C 13 43.513 . . . . . . A 81 ARG CD . 19751 1 786 . 1 1 84 84 ARG N N 15 121.321 . . . . . . A 81 ARG N . 19751 1 787 . 1 1 85 85 HIS H H 1 7.684 . . . . . . A 82 HIS H . 19751 1 788 . 1 1 85 85 HIS HA H 1 4.709 . . . . . . A 82 HIS HA . 19751 1 789 . 1 1 85 85 HIS HB2 H 1 3.3 . . . . . . A 82 HIS HB2 . 19751 1 790 . 1 1 85 85 HIS HB3 H 1 2.609 . . . . . . A 82 HIS HB3 . 19751 1 791 . 1 1 85 85 HIS C C 13 174.918 . . . . . . A 82 HIS C . 19751 1 792 . 1 1 85 85 HIS CA C 13 56.162 . . . . . . A 82 HIS CA . 19751 1 793 . 1 1 85 85 HIS CB C 13 31.508 . . . . . . A 82 HIS CB . 19751 1 794 . 1 1 85 85 HIS N N 15 113.32 . . . . . . A 82 HIS N . 19751 1 795 . 1 1 86 86 GLY H H 1 7.707 . . . . . . A 83 GLY H . 19751 1 796 . 1 1 86 86 GLY HA2 H 1 4.028 . . . . . . A 83 GLY HA2 . 19751 1 797 . 1 1 86 86 GLY HA3 H 1 4.028 . . . . . . A 83 GLY HA3 . 19751 1 798 . 1 1 86 86 GLY C C 13 174.866 . . . . . . A 83 GLY C . 19751 1 799 . 1 1 86 86 GLY CA C 13 47.277 . . . . . . A 83 GLY CA . 19751 1 800 . 1 1 86 86 GLY N N 15 109.763 . . . . . . A 83 GLY N . 19751 1 801 . 1 1 87 87 LEU H H 1 8.672 . . . . . . A 84 LEU H . 19751 1 802 . 1 1 87 87 LEU HA H 1 4.834 . . . . . . A 84 LEU HA . 19751 1 803 . 1 1 87 87 LEU HB2 H 1 1.467 . . . . . . A 84 LEU HB2 . 19751 1 804 . 1 1 87 87 LEU HB3 H 1 1.467 . . . . . . A 84 LEU HB3 . 19751 1 805 . 1 1 87 87 LEU HG H 1 1.625 . . . . . . A 84 LEU HG . 19751 1 806 . 1 1 87 87 LEU HD11 H 1 0.806 . . . . . . A 84 LEU HD11 . 19751 1 807 . 1 1 87 87 LEU HD12 H 1 0.806 . . . . . . A 84 LEU HD12 . 19751 1 808 . 1 1 87 87 LEU HD13 H 1 0.806 . . . . . . A 84 LEU HD13 . 19751 1 809 . 1 1 87 87 LEU HD21 H 1 0.714 . . . . . . A 84 LEU HD21 . 19751 1 810 . 1 1 87 87 LEU HD22 H 1 0.714 . . . . . . A 84 LEU HD22 . 19751 1 811 . 1 1 87 87 LEU HD23 H 1 0.714 . . . . . . A 84 LEU HD23 . 19751 1 812 . 1 1 87 87 LEU C C 13 174.88 . . . . . . A 84 LEU C . 19751 1 813 . 1 1 87 87 LEU CA C 13 52.869 . . . . . . A 84 LEU CA . 19751 1 814 . 1 1 87 87 LEU CB C 13 45.083 . . . . . . A 84 LEU CB . 19751 1 815 . 1 1 87 87 LEU CG C 13 26.965 . . . . . . A 84 LEU CG . 19751 1 816 . 1 1 87 87 LEU CD1 C 13 24.02 . . . . . . A 84 LEU CD1 . 19751 1 817 . 1 1 87 87 LEU CD2 C 13 24.053 . . . . . . A 84 LEU CD2 . 19751 1 818 . 1 1 87 87 LEU N N 15 119.225 . . . . . . A 84 LEU N . 19751 1 819 . 1 1 88 88 ASN H H 1 8.955 . . . . . . A 85 ASN H . 19751 1 820 . 1 1 88 88 ASN HA H 1 5.168 . . . . . . A 85 ASN HA . 19751 1 821 . 1 1 88 88 ASN HB2 H 1 2.74 . . . . . . A 85 ASN HB2 . 19751 1 822 . 1 1 88 88 ASN HB3 H 1 2.651 . . . . . . A 85 ASN HB3 . 19751 1 823 . 1 1 88 88 ASN C C 13 175.212 . . . . . . A 85 ASN C . 19751 1 824 . 1 1 88 88 ASN CA C 13 51.858 . . . . . . A 85 ASN CA . 19751 1 825 . 1 1 88 88 ASN CB C 13 40.882 . . . . . . A 85 ASN CB . 19751 1 826 . 1 1 88 88 ASN N N 15 117.042 . . . . . . A 85 ASN N . 19751 1 827 . 1 1 89 89 PHE H H 1 9.221 . . . . . . A 86 PHE H . 19751 1 828 . 1 1 89 89 PHE HA H 1 4.441 . . . . . . A 86 PHE HA . 19751 1 829 . 1 1 89 89 PHE HB2 H 1 3.151 . . . . . . A 86 PHE HB2 . 19751 1 830 . 1 1 89 89 PHE HB3 H 1 2.611 . . . . . . A 86 PHE HB3 . 19751 1 831 . 1 1 89 89 PHE C C 13 173.744 . . . . . . A 86 PHE C . 19751 1 832 . 1 1 89 89 PHE CA C 13 58.606 . . . . . . A 86 PHE CA . 19751 1 833 . 1 1 89 89 PHE CB C 13 39.064 . . . . . . A 86 PHE CB . 19751 1 834 . 1 1 89 89 PHE N N 15 126.957 . . . . . . A 86 PHE N . 19751 1 835 . 1 1 90 90 LYS H H 1 8.397 . . . . . . A 87 LYS H . 19751 1 836 . 1 1 90 90 LYS HA H 1 4.351 . . . . . . A 87 LYS HA . 19751 1 837 . 1 1 90 90 LYS HB2 H 1 1.502 . . . . . . A 87 LYS HB2 . 19751 1 838 . 1 1 90 90 LYS HB3 H 1 1.714 . . . . . . A 87 LYS HB3 . 19751 1 839 . 1 1 90 90 LYS HG2 H 1 1.283 . . . . . . A 87 LYS HG2 . 19751 1 840 . 1 1 90 90 LYS HG3 H 1 1.309 . . . . . . A 87 LYS HG3 . 19751 1 841 . 1 1 90 90 LYS HD2 H 1 1.556 . . . . . . A 87 LYS HD2 . 19751 1 842 . 1 1 90 90 LYS HD3 H 1 1.556 . . . . . . A 87 LYS HD3 . 19751 1 843 . 1 1 90 90 LYS HE2 H 1 2.884 . . . . . . A 87 LYS HE2 . 19751 1 844 . 1 1 90 90 LYS HE3 H 1 2.831 . . . . . . A 87 LYS HE3 . 19751 1 845 . 1 1 90 90 LYS C C 13 175.203 . . . . . . A 87 LYS C . 19751 1 846 . 1 1 90 90 LYS CA C 13 56.697 . . . . . . A 87 LYS CA . 19751 1 847 . 1 1 90 90 LYS CB C 13 33.574 . . . . . . A 87 LYS CB . 19751 1 848 . 1 1 90 90 LYS CG C 13 24.091 . . . . . . A 87 LYS CG . 19751 1 849 . 1 1 90 90 LYS CD C 13 28.08 . . . . . . A 87 LYS CD . 19751 1 850 . 1 1 90 90 LYS CE C 13 41.267 . . . . . . A 87 LYS CE . 19751 1 851 . 1 1 90 90 LYS N N 15 129.305 . . . . . . A 87 LYS N . 19751 1 852 . 1 1 91 91 GLN H H 1 6.855 . . . . . . A 88 GLN H . 19751 1 853 . 1 1 91 91 GLN HA H 1 4.391 . . . . . . A 88 GLN HA . 19751 1 854 . 1 1 91 91 GLN HB2 H 1 2.34 . . . . . . A 88 GLN HB2 . 19751 1 855 . 1 1 91 91 GLN HB3 H 1 2.028 . . . . . . A 88 GLN HB3 . 19751 1 856 . 1 1 91 91 GLN HG2 H 1 2.038 . . . . . . A 88 GLN HG2 . 19751 1 857 . 1 1 91 91 GLN HG3 H 1 2.038 . . . . . . A 88 GLN HG3 . 19751 1 858 . 1 1 91 91 GLN C C 13 185.308 . . . . . . A 88 GLN C . 19751 1 859 . 1 1 91 91 GLN CA C 13 54.753 . . . . . . A 88 GLN CA . 19751 1 860 . 1 1 91 91 GLN CG C 13 32.85 . . . . . . A 88 GLN CG . 19751 1 861 . 1 1 91 91 GLN N N 15 110.785 . . . . . . A 88 GLN N . 19751 1 862 . 1 1 92 92 SER H H 1 8.718 . . . . . . A 89 SER H . 19751 1 863 . 1 1 92 92 SER HA H 1 5.298 . . . . . . A 89 SER HA . 19751 1 864 . 1 1 92 92 SER HB2 H 1 3.992 . . . . . . A 89 SER HB2 . 19751 1 865 . 1 1 92 92 SER HB3 H 1 3.867 . . . . . . A 89 SER HB3 . 19751 1 866 . 1 1 92 92 SER C C 13 173.757 . . . . . . A 89 SER C . 19751 1 867 . 1 1 92 92 SER CA C 13 56.776 . . . . . . A 89 SER CA . 19751 1 868 . 1 1 92 92 SER CB C 13 67.417 . . . . . . A 89 SER CB . 19751 1 869 . 1 1 92 92 SER N N 15 113.927 . . . . . . A 89 SER N . 19751 1 870 . 1 1 93 93 SER H H 1 8.479 . . . . . . A 90 SER H . 19751 1 871 . 1 1 93 93 SER HA H 1 4.597 . . . . . . A 90 SER HA . 19751 1 872 . 1 1 93 93 SER HB2 H 1 3.811 . . . . . . A 90 SER HB2 . 19751 1 873 . 1 1 93 93 SER HB3 H 1 3.811 . . . . . . A 90 SER HB3 . 19751 1 874 . 1 1 93 93 SER CA C 13 58.356 . . . . . . A 90 SER CA . 19751 1 875 . 1 1 93 93 SER CB C 13 63.952 . . . . . . A 90 SER CB . 19751 1 876 . 1 1 93 93 SER N N 15 114.246 . . . . . . A 90 SER N . 19751 1 877 . 1 1 94 94 GLY H H 1 8.49 . . . . . . A 91 GLY H . 19751 1 878 . 1 1 94 94 GLY HA2 H 1 3.892 . . . . . . A 91 GLY HA2 . 19751 1 879 . 1 1 94 94 GLY HA3 H 1 3.892 . . . . . . A 91 GLY HA3 . 19751 1 880 . 1 1 94 94 GLY C C 13 174.853 . . . . . . A 91 GLY C . 19751 1 881 . 1 1 94 94 GLY CA C 13 47.155 . . . . . . A 91 GLY CA . 19751 1 882 . 1 1 94 94 GLY N N 15 116.101 . . . . . . A 91 GLY N . 19751 1 883 . 1 1 95 95 GLY H H 1 8.914 . . . . . . A 92 GLY H . 19751 1 884 . 1 1 95 95 GLY HA2 H 1 4.147 . . . . . . A 92 GLY HA2 . 19751 1 885 . 1 1 95 95 GLY HA3 H 1 3.543 . . . . . . A 92 GLY HA3 . 19751 1 886 . 1 1 95 95 GLY CA C 13 44.666 . . . . . . A 92 GLY CA . 19751 1 887 . 1 1 95 95 GLY N N 15 107.199 . . . . . . A 92 GLY N . 19751 1 888 . 1 1 96 96 ILE H H 1 7.54 . . . . . . A 93 ILE H . 19751 1 889 . 1 1 96 96 ILE HA H 1 4.738 . . . . . . A 93 ILE HA . 19751 1 890 . 1 1 96 96 ILE HB H 1 2.015 . . . . . . A 93 ILE HB . 19751 1 891 . 1 1 96 96 ILE HG12 H 1 1.395 . . . . . . A 93 ILE HG12 . 19751 1 892 . 1 1 96 96 ILE HG13 H 1 1.203 . . . . . . A 93 ILE HG13 . 19751 1 893 . 1 1 96 96 ILE HG21 H 1 0.733 . . . . . . A 93 ILE HG21 . 19751 1 894 . 1 1 96 96 ILE HG22 H 1 0.733 . . . . . . A 93 ILE HG22 . 19751 1 895 . 1 1 96 96 ILE HG23 H 1 0.733 . . . . . . A 93 ILE HG23 . 19751 1 896 . 1 1 96 96 ILE HD11 H 1 0.726 . . . . . . A 93 ILE HD11 . 19751 1 897 . 1 1 96 96 ILE HD12 H 1 0.726 . . . . . . A 93 ILE HD12 . 19751 1 898 . 1 1 96 96 ILE HD13 H 1 0.726 . . . . . . A 93 ILE HD13 . 19751 1 899 . 1 1 96 96 ILE C C 13 175.05 . . . . . . A 93 ILE C . 19751 1 900 . 1 1 96 96 ILE CA C 13 58.535 . . . . . . A 93 ILE CA . 19751 1 901 . 1 1 96 96 ILE CB C 13 38.109 . . . . . . A 93 ILE CB . 19751 1 902 . 1 1 96 96 ILE CG1 C 13 26.595 . . . . . . A 93 ILE CG1 . 19751 1 903 . 1 1 96 96 ILE CG2 C 13 18.07 . . . . . . A 93 ILE CG2 . 19751 1 904 . 1 1 96 96 ILE N N 15 118.958 . . . . . . A 93 ILE N . 19751 1 905 . 1 1 97 97 ALA H H 1 9.561 . . . . . . A 94 ALA H . 19751 1 906 . 1 1 97 97 ALA HA H 1 4.728 . . . . . . A 94 ALA HA . 19751 1 907 . 1 1 97 97 ALA HB1 H 1 1.309 . . . . . . A 94 ALA HB1 . 19751 1 908 . 1 1 97 97 ALA HB2 H 1 1.309 . . . . . . A 94 ALA HB2 . 19751 1 909 . 1 1 97 97 ALA HB3 H 1 1.309 . . . . . . A 94 ALA HB3 . 19751 1 910 . 1 1 97 97 ALA C C 13 174.512 . . . . . . A 94 ALA C . 19751 1 911 . 1 1 97 97 ALA CA C 13 50.438 . . . . . . A 94 ALA CA . 19751 1 912 . 1 1 97 97 ALA CB C 13 21.812 . . . . . . A 94 ALA CB . 19751 1 913 . 1 1 97 97 ALA N N 15 131.032 . . . . . . A 94 ALA N . 19751 1 914 . 1 1 98 98 LEU H H 1 8.641 . . . . . . A 95 LEU H . 19751 1 915 . 1 1 98 98 LEU HA H 1 4.963 . . . . . . A 95 LEU HA . 19751 1 916 . 1 1 98 98 LEU HB2 H 1 1.457 . . . . . . A 95 LEU HB2 . 19751 1 917 . 1 1 98 98 LEU HB3 H 1 1.457 . . . . . . A 95 LEU HB3 . 19751 1 918 . 1 1 98 98 LEU HG H 1 1.461 . . . . . . A 95 LEU HG . 19751 1 919 . 1 1 98 98 LEU HD11 H 1 0.761 . . . . . . A 95 LEU HD11 . 19751 1 920 . 1 1 98 98 LEU HD12 H 1 0.761 . . . . . . A 95 LEU HD12 . 19751 1 921 . 1 1 98 98 LEU HD13 H 1 0.761 . . . . . . A 95 LEU HD13 . 19751 1 922 . 1 1 98 98 LEU HD21 H 1 0.81 . . . . . . A 95 LEU HD21 . 19751 1 923 . 1 1 98 98 LEU HD22 H 1 0.81 . . . . . . A 95 LEU HD22 . 19751 1 924 . 1 1 98 98 LEU HD23 H 1 0.81 . . . . . . A 95 LEU HD23 . 19751 1 925 . 1 1 98 98 LEU C C 13 174.922 . . . . . . A 95 LEU C . 19751 1 926 . 1 1 98 98 LEU CA C 13 54.515 . . . . . . A 95 LEU CA . 19751 1 927 . 1 1 98 98 LEU CB C 13 43.205 . . . . . . A 95 LEU CB . 19751 1 928 . 1 1 98 98 LEU CG C 13 28.172 . . . . . . A 95 LEU CG . 19751 1 929 . 1 1 98 98 LEU CD1 C 13 24.783 . . . . . . A 95 LEU CD1 . 19751 1 930 . 1 1 98 98 LEU N N 15 123.066 . . . . . . A 95 LEU N . 19751 1 931 . 1 1 99 99 LEU H H 1 9.235 . . . . . . A 96 LEU H . 19751 1 932 . 1 1 99 99 LEU HA H 1 5.171 . . . . . . A 96 LEU HA . 19751 1 933 . 1 1 99 99 LEU HB2 H 1 1.766 . . . . . . A 96 LEU HB2 . 19751 1 934 . 1 1 99 99 LEU HB3 H 1 1.283 . . . . . . A 96 LEU HB3 . 19751 1 935 . 1 1 99 99 LEU HG H 1 1.682 . . . . . . A 96 LEU HG . 19751 1 936 . 1 1 99 99 LEU HD11 H 1 0.795 . . . . . . A 96 LEU HD11 . 19751 1 937 . 1 1 99 99 LEU HD12 H 1 0.795 . . . . . . A 96 LEU HD12 . 19751 1 938 . 1 1 99 99 LEU HD13 H 1 0.795 . . . . . . A 96 LEU HD13 . 19751 1 939 . 1 1 99 99 LEU HD21 H 1 0.876 . . . . . . A 96 LEU HD21 . 19751 1 940 . 1 1 99 99 LEU HD22 H 1 0.876 . . . . . . A 96 LEU HD22 . 19751 1 941 . 1 1 99 99 LEU HD23 H 1 0.876 . . . . . . A 96 LEU HD23 . 19751 1 942 . 1 1 99 99 LEU C C 13 175.059 . . . . . . A 96 LEU C . 19751 1 943 . 1 1 99 99 LEU CA C 13 52.639 . . . . . . A 96 LEU CA . 19751 1 944 . 1 1 99 99 LEU CB C 13 44.269 . . . . . . A 96 LEU CB . 19751 1 945 . 1 1 99 99 LEU CG C 13 28.106 . . . . . . A 96 LEU CG . 19751 1 946 . 1 1 99 99 LEU CD1 C 13 26.499 . . . . . . A 96 LEU CD1 . 19751 1 947 . 1 1 99 99 LEU CD2 C 13 25.2 . . . . . . A 96 LEU CD2 . 19751 1 948 . 1 1 99 99 LEU N N 15 124.843 . . . . . . A 96 LEU N . 19751 1 949 . 1 1 100 100 GLU H H 1 9.113 . . . . . . A 97 GLU H . 19751 1 950 . 1 1 100 100 GLU HA H 1 4.859 . . . . . . A 97 GLU HA . 19751 1 951 . 1 1 100 100 GLU HB2 H 1 2.068 . . . . . . A 97 GLU HB2 . 19751 1 952 . 1 1 100 100 GLU HB3 H 1 1.944 . . . . . . A 97 GLU HB3 . 19751 1 953 . 1 1 100 100 GLU HG2 H 1 2.196 . . . . . . A 97 GLU HG2 . 19751 1 954 . 1 1 100 100 GLU HG3 H 1 2.196 . . . . . . A 97 GLU HG3 . 19751 1 955 . 1 1 100 100 GLU C C 13 175.343 . . . . . . A 97 GLU C . 19751 1 956 . 1 1 100 100 GLU CA C 13 55.091 . . . . . . A 97 GLU CA . 19751 1 957 . 1 1 100 100 GLU CB C 13 33.415 . . . . . . A 97 GLU CB . 19751 1 958 . 1 1 100 100 GLU CG C 13 36.954 . . . . . . A 97 GLU CG . 19751 1 959 . 1 1 100 100 GLU N N 15 121.306 . . . . . . A 97 GLU N . 19751 1 960 . 1 1 101 101 ALA H H 1 8.731 . . . . . . A 98 ALA H . 19751 1 961 . 1 1 101 101 ALA HA H 1 4.774 . . . . . . A 98 ALA HA . 19751 1 962 . 1 1 101 101 ALA HB1 H 1 1.291 . . . . . . A 98 ALA HB1 . 19751 1 963 . 1 1 101 101 ALA HB2 H 1 1.291 . . . . . . A 98 ALA HB2 . 19751 1 964 . 1 1 101 101 ALA HB3 H 1 1.291 . . . . . . A 98 ALA HB3 . 19751 1 965 . 1 1 101 101 ALA C C 13 176.88 . . . . . . A 98 ALA C . 19751 1 966 . 1 1 101 101 ALA CA C 13 50.595 . . . . . . A 98 ALA CA . 19751 1 967 . 1 1 101 101 ALA CB C 13 21.383 . . . . . . A 98 ALA CB . 19751 1 968 . 1 1 101 101 ALA N N 15 126.658 . . . . . . A 98 ALA N . 19751 1 969 . 1 1 102 102 LYS H H 1 8.636 . . . . . . A 99 LYS H . 19751 1 970 . 1 1 102 102 LYS N N 15 121.674 . . . . . . A 99 LYS N . 19751 1 971 . 1 1 103 103 PRO HA H 1 4.462 . . . . . . A 100 PRO HA . 19751 1 972 . 1 1 103 103 PRO HB2 H 1 2.008 . . . . . . A 100 PRO HB2 . 19751 1 973 . 1 1 103 103 PRO HB3 H 1 2.288 . . . . . . A 100 PRO HB3 . 19751 1 974 . 1 1 103 103 PRO HG2 H 1 2.016 . . . . . . A 100 PRO HG2 . 19751 1 975 . 1 1 103 103 PRO HG3 H 1 2.016 . . . . . . A 100 PRO HG3 . 19751 1 976 . 1 1 103 103 PRO HD2 H 1 3.585 . . . . . . A 100 PRO HD2 . 19751 1 977 . 1 1 103 103 PRO HD3 H 1 3.585 . . . . . . A 100 PRO HD3 . 19751 1 978 . 1 1 103 103 PRO CA C 13 63.488 . . . . . . A 100 PRO CA . 19751 1 979 . 1 1 103 103 PRO CB C 13 32.186 . . . . . . A 100 PRO CB . 19751 1 980 . 1 1 103 103 PRO CG C 13 27.035 . . . . . . A 100 PRO CG . 19751 1 981 . 1 1 103 103 PRO CD C 13 49.705 . . . . . . A 100 PRO CD . 19751 1 982 . 1 1 104 104 GLY H H 1 8.709 . . . . . . A 101 GLY H . 19751 1 983 . 1 1 104 104 GLY HA2 H 1 4.288 . . . . . . A 101 GLY HA2 . 19751 1 984 . 1 1 104 104 GLY HA3 H 1 3.704 . . . . . . A 101 GLY HA3 . 19751 1 985 . 1 1 104 104 GLY C C 13 174.676 . . . . . . A 101 GLY C . 19751 1 986 . 1 1 104 104 GLY CA C 13 45.183 . . . . . . A 101 GLY CA . 19751 1 987 . 1 1 104 104 GLY N N 15 110.695 . . . . . . A 101 GLY N . 19751 1 988 . 1 1 105 105 THR H H 1 7.652 . . . . . . A 102 THR H . 19751 1 989 . 1 1 105 105 THR HA H 1 4.134 . . . . . . A 102 THR HA . 19751 1 990 . 1 1 105 105 THR HB H 1 3.995 . . . . . . A 102 THR HB . 19751 1 991 . 1 1 105 105 THR HG21 H 1 1.128 . . . . . . A 102 THR HG21 . 19751 1 992 . 1 1 105 105 THR HG22 H 1 1.128 . . . . . . A 102 THR HG22 . 19751 1 993 . 1 1 105 105 THR HG23 H 1 1.128 . . . . . . A 102 THR HG23 . 19751 1 994 . 1 1 105 105 THR CA C 13 62.998 . . . . . . A 102 THR CA . 19751 1 995 . 1 1 105 105 THR CB C 13 69.736 . . . . . . A 102 THR CB . 19751 1 996 . 1 1 105 105 THR CG2 C 13 21.933 . . . . . . A 102 THR CG2 . 19751 1 997 . 1 1 105 105 THR N N 15 116.771 . . . . . . A 102 THR N . 19751 1 998 . 1 1 106 106 ASP H H 1 8.849 . . . . . . A 103 ASP H . 19751 1 999 . 1 1 106 106 ASP HA H 1 4.704 . . . . . . A 103 ASP HA . 19751 1 1000 . 1 1 106 106 ASP HB2 H 1 3.006 . . . . . . A 103 ASP HB2 . 19751 1 1001 . 1 1 106 106 ASP HB3 H 1 2.613 . . . . . . A 103 ASP HB3 . 19751 1 1002 . 1 1 106 106 ASP C C 13 175.907 . . . . . . A 103 ASP C . 19751 1 1003 . 1 1 106 106 ASP CA C 13 52.747 . . . . . . A 103 ASP CA . 19751 1 1004 . 1 1 106 106 ASP CB C 13 39.987 . . . . . . A 103 ASP CB . 19751 1 1005 . 1 1 106 106 ASP N N 15 125.95 . . . . . . A 103 ASP N . 19751 1 1006 . 1 1 107 107 LEU H H 1 8.464 . . . . . . A 104 LEU H . 19751 1 1007 . 1 1 107 107 LEU HA H 1 3.871 . . . . . . A 104 LEU HA . 19751 1 1008 . 1 1 107 107 LEU HB2 H 1 1.665 . . . . . . A 104 LEU HB2 . 19751 1 1009 . 1 1 107 107 LEU HB3 H 1 1.451 . . . . . . A 104 LEU HB3 . 19751 1 1010 . 1 1 107 107 LEU HG H 1 1.654 . . . . . . A 104 LEU HG . 19751 1 1011 . 1 1 107 107 LEU HD11 H 1 0.802 . . . . . . A 104 LEU HD11 . 19751 1 1012 . 1 1 107 107 LEU HD12 H 1 0.802 . . . . . . A 104 LEU HD12 . 19751 1 1013 . 1 1 107 107 LEU HD13 H 1 0.802 . . . . . . A 104 LEU HD13 . 19751 1 1014 . 1 1 107 107 LEU HD21 H 1 0.699 . . . . . . A 104 LEU HD21 . 19751 1 1015 . 1 1 107 107 LEU HD22 H 1 0.699 . . . . . . A 104 LEU HD22 . 19751 1 1016 . 1 1 107 107 LEU HD23 H 1 0.699 . . . . . . A 104 LEU HD23 . 19751 1 1017 . 1 1 107 107 LEU C C 13 178.528 . . . . . . A 104 LEU C . 19751 1 1018 . 1 1 107 107 LEU CA C 13 57.428 . . . . . . A 104 LEU CA . 19751 1 1019 . 1 1 107 107 LEU CB C 13 42.182 . . . . . . A 104 LEU CB . 19751 1 1020 . 1 1 107 107 LEU CD1 C 13 25.172 . . . . . . A 104 LEU CD1 . 19751 1 1021 . 1 1 107 107 LEU CD2 C 13 23.95 . . . . . . A 104 LEU CD2 . 19751 1 1022 . 1 1 107 107 LEU N N 15 127.195 . . . . . . A 104 LEU N . 19751 1 1023 . 1 1 108 108 ASN H H 1 8.225 . . . . . . A 105 ASN H . 19751 1 1024 . 1 1 108 108 ASN HA H 1 4.337 . . . . . . A 105 ASN HA . 19751 1 1025 . 1 1 108 108 ASN HB2 H 1 2.869 . . . . . . A 105 ASN HB2 . 19751 1 1026 . 1 1 108 108 ASN HB3 H 1 2.769 . . . . . . A 105 ASN HB3 . 19751 1 1027 . 1 1 108 108 ASN C C 13 177.999 . . . . . . A 105 ASN C . 19751 1 1028 . 1 1 108 108 ASN CA C 13 56.542 . . . . . . A 105 ASN CA . 19751 1 1029 . 1 1 108 108 ASN CB C 13 38.225 . . . . . . A 105 ASN CB . 19751 1 1030 . 1 1 108 108 ASN N N 15 116.748 . . . . . . A 105 ASN N . 19751 1 1031 . 1 1 109 109 ALA H H 1 7.81 . . . . . . A 106 ALA H . 19751 1 1032 . 1 1 109 109 ALA HA H 1 4.086 . . . . . . A 106 ALA HA . 19751 1 1033 . 1 1 109 109 ALA HB1 H 1 1.457 . . . . . . A 106 ALA HB1 . 19751 1 1034 . 1 1 109 109 ALA HB2 H 1 1.457 . . . . . . A 106 ALA HB2 . 19751 1 1035 . 1 1 109 109 ALA HB3 H 1 1.457 . . . . . . A 106 ALA HB3 . 19751 1 1036 . 1 1 109 109 ALA C C 13 181.021 . . . . . . A 106 ALA C . 19751 1 1037 . 1 1 109 109 ALA CA C 13 54.884 . . . . . . A 106 ALA CA . 19751 1 1038 . 1 1 109 109 ALA CB C 13 17.983 . . . . . . A 106 ALA CB . 19751 1 1039 . 1 1 109 109 ALA N N 15 123.704 . . . . . . A 106 ALA N . 19751 1 1040 . 1 1 110 110 ILE H H 1 7.582 . . . . . . A 107 ILE H . 19751 1 1041 . 1 1 110 110 ILE HA H 1 3.654 . . . . . . A 107 ILE HA . 19751 1 1042 . 1 1 110 110 ILE HB H 1 1.795 . . . . . . A 107 ILE HB . 19751 1 1043 . 1 1 110 110 ILE HG12 H 1 1.606 . . . . . . A 107 ILE HG12 . 19751 1 1044 . 1 1 110 110 ILE HG13 H 1 1.299 . . . . . . A 107 ILE HG13 . 19751 1 1045 . 1 1 110 110 ILE HG21 H 1 0.629 . . . . . . A 107 ILE HG21 . 19751 1 1046 . 1 1 110 110 ILE HG22 H 1 0.629 . . . . . . A 107 ILE HG22 . 19751 1 1047 . 1 1 110 110 ILE HG23 H 1 0.629 . . . . . . A 107 ILE HG23 . 19751 1 1048 . 1 1 110 110 ILE HD11 H 1 0.859 . . . . . . A 107 ILE HD11 . 19751 1 1049 . 1 1 110 110 ILE HD12 H 1 0.859 . . . . . . A 107 ILE HD12 . 19751 1 1050 . 1 1 110 110 ILE HD13 H 1 0.859 . . . . . . A 107 ILE HD13 . 19751 1 1051 . 1 1 110 110 ILE C C 13 177.324 . . . . . . A 107 ILE C . 19751 1 1052 . 1 1 110 110 ILE CA C 13 63.835 . . . . . . A 107 ILE CA . 19751 1 1053 . 1 1 110 110 ILE CB C 13 37.607 . . . . . . A 107 ILE CB . 19751 1 1054 . 1 1 110 110 ILE CG1 C 13 28.583 . . . . . . A 107 ILE CG1 . 19751 1 1055 . 1 1 110 110 ILE CG2 C 13 17.93 . . . . . . A 107 ILE CG2 . 19751 1 1056 . 1 1 110 110 ILE CD1 C 13 13.678 . . . . . . A 107 ILE CD1 . 19751 1 1057 . 1 1 110 110 ILE N N 15 118.676 . . . . . . A 107 ILE N . 19751 1 1058 . 1 1 111 111 ALA H H 1 8.551 . . . . . . A 108 ALA H . 19751 1 1059 . 1 1 111 111 ALA HA H 1 3.801 . . . . . . A 108 ALA HA . 19751 1 1060 . 1 1 111 111 ALA HB1 H 1 1.434 . . . . . . A 108 ALA HB1 . 19751 1 1061 . 1 1 111 111 ALA HB2 H 1 1.434 . . . . . . A 108 ALA HB2 . 19751 1 1062 . 1 1 111 111 ALA HB3 H 1 1.434 . . . . . . A 108 ALA HB3 . 19751 1 1063 . 1 1 111 111 ALA CA C 13 56.078 . . . . . . A 108 ALA CA . 19751 1 1064 . 1 1 111 111 ALA CB C 13 17.937 . . . . . . A 108 ALA CB . 19751 1 1065 . 1 1 111 111 ALA N N 15 122.55 . . . . . . A 108 ALA N . 19751 1 1066 . 1 1 112 112 THR H H 1 8.197 . . . . . . A 109 THR H . 19751 1 1067 . 1 1 112 112 THR HA H 1 3.806 . . . . . . A 109 THR HA . 19751 1 1068 . 1 1 112 112 THR HB H 1 4.243 . . . . . . A 109 THR HB . 19751 1 1069 . 1 1 112 112 THR HG21 H 1 1.241 . . . . . . A 109 THR HG21 . 19751 1 1070 . 1 1 112 112 THR HG22 H 1 1.241 . . . . . . A 109 THR HG22 . 19751 1 1071 . 1 1 112 112 THR HG23 H 1 1.241 . . . . . . A 109 THR HG23 . 19751 1 1072 . 1 1 112 112 THR C C 13 176.632 . . . . . . A 109 THR C . 19751 1 1073 . 1 1 112 112 THR CA C 13 67.362 . . . . . . A 109 THR CA . 19751 1 1074 . 1 1 112 112 THR CB C 13 68.554 . . . . . . A 109 THR CB . 19751 1 1075 . 1 1 112 112 THR CG2 C 13 21.359 . . . . . . A 109 THR CG2 . 19751 1 1076 . 1 1 112 112 THR N N 15 113.975 . . . . . . A 109 THR N . 19751 1 1077 . 1 1 113 113 LYS H H 1 7.656 . . . . . . A 110 LYS H . 19751 1 1078 . 1 1 113 113 LYS HA H 1 4.077 . . . . . . A 110 LYS HA . 19751 1 1079 . 1 1 113 113 LYS HB2 H 1 1.922 . . . . . . A 110 LYS HB2 . 19751 1 1080 . 1 1 113 113 LYS HB3 H 1 1.922 . . . . . . A 110 LYS HB3 . 19751 1 1081 . 1 1 113 113 LYS HG2 H 1 1.543 . . . . . . A 110 LYS HG2 . 19751 1 1082 . 1 1 113 113 LYS HG3 H 1 1.47 . . . . . . A 110 LYS HG3 . 19751 1 1083 . 1 1 113 113 LYS HD2 H 1 1.736 . . . . . . A 110 LYS HD2 . 19751 1 1084 . 1 1 113 113 LYS HD3 H 1 1.736 . . . . . . A 110 LYS HD3 . 19751 1 1085 . 1 1 113 113 LYS HE2 H 1 2.997 . . . . . . A 110 LYS HE2 . 19751 1 1086 . 1 1 113 113 LYS HE3 H 1 2.997 . . . . . . A 110 LYS HE3 . 19751 1 1087 . 1 1 113 113 LYS C C 13 179.64 . . . . . . A 110 LYS C . 19751 1 1088 . 1 1 113 113 LYS CA C 13 59.365 . . . . . . A 110 LYS CA . 19751 1 1089 . 1 1 113 113 LYS CB C 13 32.071 . . . . . . A 110 LYS CB . 19751 1 1090 . 1 1 113 113 LYS CG C 13 24.983 . . . . . . A 110 LYS CG . 19751 1 1091 . 1 1 113 113 LYS CD C 13 29.389 . . . . . . A 110 LYS CD . 19751 1 1092 . 1 1 113 113 LYS N N 15 123.603 . . . . . . A 110 LYS N . 19751 1 1093 . 1 1 114 114 LEU H H 1 8.441 . . . . . . A 111 LEU H . 19751 1 1094 . 1 1 114 114 LEU HA H 1 3.857 . . . . . . A 111 LEU HA . 19751 1 1095 . 1 1 114 114 LEU HB2 H 1 1.798 . . . . . . A 111 LEU HB2 . 19751 1 1096 . 1 1 114 114 LEU HB3 H 1 1.129 . . . . . . A 111 LEU HB3 . 19751 1 1097 . 1 1 114 114 LEU HG H 1 1.424 . . . . . . A 111 LEU HG . 19751 1 1098 . 1 1 114 114 LEU HD11 H 1 0.57 . . . . . . A 111 LEU HD11 . 19751 1 1099 . 1 1 114 114 LEU HD12 H 1 0.57 . . . . . . A 111 LEU HD12 . 19751 1 1100 . 1 1 114 114 LEU HD13 H 1 0.57 . . . . . . A 111 LEU HD13 . 19751 1 1101 . 1 1 114 114 LEU HD21 H 1 0.471 . . . . . . A 111 LEU HD21 . 19751 1 1102 . 1 1 114 114 LEU HD22 H 1 0.471 . . . . . . A 111 LEU HD22 . 19751 1 1103 . 1 1 114 114 LEU HD23 H 1 0.471 . . . . . . A 111 LEU HD23 . 19751 1 1104 . 1 1 114 114 LEU C C 13 179.289 . . . . . . A 111 LEU C . 19751 1 1105 . 1 1 114 114 LEU CA C 13 58.115 . . . . . . A 111 LEU CA . 19751 1 1106 . 1 1 114 114 LEU CB C 13 41.115 . . . . . . A 111 LEU CB . 19751 1 1107 . 1 1 114 114 LEU CG C 13 27.342 . . . . . . A 111 LEU CG . 19751 1 1108 . 1 1 114 114 LEU CD1 C 13 24.104 . . . . . . A 111 LEU CD1 . 19751 1 1109 . 1 1 114 114 LEU CD2 C 13 26.091 . . . . . . A 111 LEU CD2 . 19751 1 1110 . 1 1 114 114 LEU N N 15 120.492 . . . . . . A 111 LEU N . 19751 1 1111 . 1 1 115 115 LYS H H 1 8.452 . . . . . . A 112 LYS H . 19751 1 1112 . 1 1 115 115 LYS HA H 1 4.441 . . . . . . A 112 LYS HA . 19751 1 1113 . 1 1 115 115 LYS HB2 H 1 1.943 . . . . . . A 112 LYS HB2 . 19751 1 1114 . 1 1 115 115 LYS HB3 H 1 1.943 . . . . . . A 112 LYS HB3 . 19751 1 1115 . 1 1 115 115 LYS HG2 H 1 1.634 . . . . . . A 112 LYS HG2 . 19751 1 1116 . 1 1 115 115 LYS HG3 H 1 1.634 . . . . . . A 112 LYS HG3 . 19751 1 1117 . 1 1 115 115 LYS HD2 H 1 1.734 . . . . . . A 112 LYS HD2 . 19751 1 1118 . 1 1 115 115 LYS HD3 H 1 1.734 . . . . . . A 112 LYS HD3 . 19751 1 1119 . 1 1 115 115 LYS HE2 H 1 2.966 . . . . . . A 112 LYS HE2 . 19751 1 1120 . 1 1 115 115 LYS HE3 H 1 2.966 . . . . . . A 112 LYS HE3 . 19751 1 1121 . 1 1 115 115 LYS C C 13 181.574 . . . . . . A 112 LYS C . 19751 1 1122 . 1 1 115 115 LYS CA C 13 59.611 . . . . . . A 112 LYS CA . 19751 1 1123 . 1 1 115 115 LYS CB C 13 32.293 . . . . . . A 112 LYS CB . 19751 1 1124 . 1 1 115 115 LYS CG C 13 25.73 . . . . . . A 112 LYS CG . 19751 1 1125 . 1 1 115 115 LYS CD C 13 29.455 . . . . . . A 112 LYS CD . 19751 1 1126 . 1 1 115 115 LYS CE C 13 42.14 . . . . . . A 112 LYS CE . 19751 1 1127 . 1 1 115 115 LYS N N 15 120.305 . . . . . . A 112 LYS N . 19751 1 1128 . 1 1 116 116 SER H H 1 7.995 . . . . . . A 113 SER H . 19751 1 1129 . 1 1 116 116 SER HA H 1 4.389 . . . . . . A 113 SER HA . 19751 1 1130 . 1 1 116 116 SER HB2 H 1 4.103 . . . . . . A 113 SER HB2 . 19751 1 1131 . 1 1 116 116 SER HB3 H 1 4.103 . . . . . . A 113 SER HB3 . 19751 1 1132 . 1 1 116 116 SER C C 13 175.2 . . . . . . A 113 SER C . 19751 1 1133 . 1 1 116 116 SER CA C 13 61.26 . . . . . . A 113 SER CA . 19751 1 1134 . 1 1 116 116 SER CB C 13 62.863 . . . . . . A 113 SER CB . 19751 1 1135 . 1 1 116 116 SER N N 15 116.992 . . . . . . A 113 SER N . 19751 1 1136 . 1 1 117 117 GLU H H 1 7.577 . . . . . . A 114 GLU H . 19751 1 1137 . 1 1 117 117 GLU HA H 1 4.431 . . . . . . A 114 GLU HA . 19751 1 1138 . 1 1 117 117 GLU HB2 H 1 2.299 . . . . . . A 114 GLU HB2 . 19751 1 1139 . 1 1 117 117 GLU HB3 H 1 2.185 . . . . . . A 114 GLU HB3 . 19751 1 1140 . 1 1 117 117 GLU HG2 H 1 2.518 . . . . . . A 114 GLU HG2 . 19751 1 1141 . 1 1 117 117 GLU HG3 H 1 2.287 . . . . . . A 114 GLU HG3 . 19751 1 1142 . 1 1 117 117 GLU C C 13 176.506 . . . . . . A 114 GLU C . 19751 1 1143 . 1 1 117 117 GLU CA C 13 56.312 . . . . . . A 114 GLU CA . 19751 1 1144 . 1 1 117 117 GLU CB C 13 29.397 . . . . . . A 114 GLU CB . 19751 1 1145 . 1 1 117 117 GLU CG C 13 36.538 . . . . . . A 114 GLU CG . 19751 1 1146 . 1 1 117 117 GLU N N 15 120.677 . . . . . . A 114 GLU N . 19751 1 1147 . 1 1 118 118 GLY H H 1 7.947 . . . . . . A 115 GLY H . 19751 1 1148 . 1 1 118 118 GLY HA2 H 1 4.206 . . . . . . A 115 GLY HA2 . 19751 1 1149 . 1 1 118 118 GLY HA3 H 1 3.768 . . . . . . A 115 GLY HA3 . 19751 1 1150 . 1 1 118 118 GLY C C 13 174.019 . . . . . . A 115 GLY C . 19751 1 1151 . 1 1 118 118 GLY CA C 13 45.498 . . . . . . A 115 GLY CA . 19751 1 1152 . 1 1 118 118 GLY N N 15 107.383 . . . . . . A 115 GLY N . 19751 1 1153 . 1 1 119 119 VAL H H 1 7.704 . . . . . . A 116 VAL H . 19751 1 1154 . 1 1 119 119 VAL HA H 1 4.132 . . . . . . A 116 VAL HA . 19751 1 1155 . 1 1 119 119 VAL HB H 1 1.738 . . . . . . A 116 VAL HB . 19751 1 1156 . 1 1 119 119 VAL HG11 H 1 0.834 . . . . . . A 116 VAL HG11 . 19751 1 1157 . 1 1 119 119 VAL HG12 H 1 0.834 . . . . . . A 116 VAL HG12 . 19751 1 1158 . 1 1 119 119 VAL HG13 H 1 0.834 . . . . . . A 116 VAL HG13 . 19751 1 1159 . 1 1 119 119 VAL HG21 H 1 0.776 . . . . . . A 116 VAL HG21 . 19751 1 1160 . 1 1 119 119 VAL HG22 H 1 0.776 . . . . . . A 116 VAL HG22 . 19751 1 1161 . 1 1 119 119 VAL HG23 H 1 0.776 . . . . . . A 116 VAL HG23 . 19751 1 1162 . 1 1 119 119 VAL C C 13 175.092 . . . . . . A 116 VAL C . 19751 1 1163 . 1 1 119 119 VAL CA C 13 61.077 . . . . . . A 116 VAL CA . 19751 1 1164 . 1 1 119 119 VAL CB C 13 33.043 . . . . . . A 116 VAL CB . 19751 1 1165 . 1 1 119 119 VAL CG1 C 13 21.273 . . . . . . A 116 VAL CG1 . 19751 1 1166 . 1 1 119 119 VAL CG2 C 13 21.602 . . . . . . A 116 VAL CG2 . 19751 1 1167 . 1 1 119 119 VAL N N 15 121.389 . . . . . . A 116 VAL N . 19751 1 1168 . 1 1 120 120 ASN H H 1 9.161 . . . . . . A 117 ASN H . 19751 1 1169 . 1 1 120 120 ASN HA H 1 4.794 . . . . . . A 117 ASN HA . 19751 1 1170 . 1 1 120 120 ASN HB2 H 1 2.881 . . . . . . A 117 ASN HB2 . 19751 1 1171 . 1 1 120 120 ASN HB3 H 1 2.846 . . . . . . A 117 ASN HB3 . 19751 1 1172 . 1 1 120 120 ASN C C 13 173.847 . . . . . . A 117 ASN C . 19751 1 1173 . 1 1 120 120 ASN CA C 13 53.204 . . . . . . A 117 ASN CA . 19751 1 1174 . 1 1 120 120 ASN CB C 13 38.001 . . . . . . A 117 ASN CB . 19751 1 1175 . 1 1 120 120 ASN N N 15 125.67 . . . . . . A 117 ASN N . 19751 1 1176 . 1 1 121 121 VAL H H 1 7.811 . . . . . . A 118 VAL H . 19751 1 1177 . 1 1 121 121 VAL HA H 1 5.273 . . . . . . A 118 VAL HA . 19751 1 1178 . 1 1 121 121 VAL HB H 1 1.819 . . . . . . A 118 VAL HB . 19751 1 1179 . 1 1 121 121 VAL HG11 H 1 0.816 . . . . . . A 118 VAL HG11 . 19751 1 1180 . 1 1 121 121 VAL HG12 H 1 0.816 . . . . . . A 118 VAL HG12 . 19751 1 1181 . 1 1 121 121 VAL HG13 H 1 0.816 . . . . . . A 118 VAL HG13 . 19751 1 1182 . 1 1 121 121 VAL HG21 H 1 0.921 . . . . . . A 118 VAL HG21 . 19751 1 1183 . 1 1 121 121 VAL HG22 H 1 0.921 . . . . . . A 118 VAL HG22 . 19751 1 1184 . 1 1 121 121 VAL HG23 H 1 0.921 . . . . . . A 118 VAL HG23 . 19751 1 1185 . 1 1 121 121 VAL C C 13 173.553 . . . . . . A 118 VAL C . 19751 1 1186 . 1 1 121 121 VAL CA C 13 58.505 . . . . . . A 118 VAL CA . 19751 1 1187 . 1 1 121 121 VAL CB C 13 35.089 . . . . . . A 118 VAL CB . 19751 1 1188 . 1 1 121 121 VAL CG1 C 13 22.473 . . . . . . A 118 VAL CG1 . 19751 1 1189 . 1 1 121 121 VAL CG2 C 13 21.099 . . . . . . A 118 VAL CG2 . 19751 1 1190 . 1 1 121 121 VAL N N 15 121.648 . . . . . . A 118 VAL N . 19751 1 1191 . 1 1 122 122 GLN H H 1 8.746 . . . . . . A 119 GLN H . 19751 1 1192 . 1 1 122 122 GLN HA H 1 4.653 . . . . . . A 119 GLN HA . 19751 1 1193 . 1 1 122 122 GLN HB2 H 1 2.086 . . . . . . A 119 GLN HB2 . 19751 1 1194 . 1 1 122 122 GLN HB3 H 1 1.906 . . . . . . A 119 GLN HB3 . 19751 1 1195 . 1 1 122 122 GLN HG2 H 1 2.31 . . . . . . A 119 GLN HG2 . 19751 1 1196 . 1 1 122 122 GLN HG3 H 1 2.31 . . . . . . A 119 GLN HG3 . 19751 1 1197 . 1 1 122 122 GLN C C 13 174.263 . . . . . . A 119 GLN C . 19751 1 1198 . 1 1 122 122 GLN CA C 13 54.243 . . . . . . A 119 GLN CA . 19751 1 1199 . 1 1 122 122 GLN CB C 13 32.526 . . . . . . A 119 GLN CB . 19751 1 1200 . 1 1 122 122 GLN CG C 13 33.525 . . . . . . A 119 GLN CG . 19751 1 1201 . 1 1 122 122 GLN N N 15 124.298 . . . . . . A 119 GLN N . 19751 1 1202 . 1 1 123 123 ILE H H 1 8.67 . . . . . . A 120 ILE H . 19751 1 1203 . 1 1 123 123 ILE HA H 1 4.448 . . . . . . A 120 ILE HA . 19751 1 1204 . 1 1 123 123 ILE HB H 1 1.656 . . . . . . A 120 ILE HB . 19751 1 1205 . 1 1 123 123 ILE HG12 H 1 1.459 . . . . . . A 120 ILE HG12 . 19751 1 1206 . 1 1 123 123 ILE HG13 H 1 1.459 . . . . . . A 120 ILE HG13 . 19751 1 1207 . 1 1 123 123 ILE HG21 H 1 0.815 . . . . . . A 120 ILE HG21 . 19751 1 1208 . 1 1 123 123 ILE HG22 H 1 0.815 . . . . . . A 120 ILE HG22 . 19751 1 1209 . 1 1 123 123 ILE HG23 H 1 0.815 . . . . . . A 120 ILE HG23 . 19751 1 1210 . 1 1 123 123 ILE HD11 H 1 0.763 . . . . . . A 120 ILE HD11 . 19751 1 1211 . 1 1 123 123 ILE HD12 H 1 0.763 . . . . . . A 120 ILE HD12 . 19751 1 1212 . 1 1 123 123 ILE HD13 H 1 0.763 . . . . . . A 120 ILE HD13 . 19751 1 1213 . 1 1 123 123 ILE C C 13 175.616 . . . . . . A 120 ILE C . 19751 1 1214 . 1 1 123 123 ILE CA C 13 60.957 . . . . . . A 120 ILE CA . 19751 1 1215 . 1 1 123 123 ILE CB C 13 39.93 . . . . . . A 120 ILE CB . 19751 1 1216 . 1 1 123 123 ILE CG1 C 13 27.629 . . . . . . A 120 ILE CG1 . 19751 1 1217 . 1 1 123 123 ILE CG2 C 13 17.809 . . . . . . A 120 ILE CG2 . 19751 1 1218 . 1 1 123 123 ILE CD1 C 13 14.917 . . . . . . A 120 ILE CD1 . 19751 1 1219 . 1 1 123 123 ILE N N 15 122.997 . . . . . . A 120 ILE N . 19751 1 1220 . 1 1 124 124 GLU H H 1 8.641 . . . . . . A 121 GLU H . 19751 1 1221 . 1 1 124 124 GLU HA H 1 4.495 . . . . . . A 121 GLU HA . 19751 1 1222 . 1 1 124 124 GLU HB2 H 1 1.976 . . . . . . A 121 GLU HB2 . 19751 1 1223 . 1 1 124 124 GLU HB3 H 1 1.761 . . . . . . A 121 GLU HB3 . 19751 1 1224 . 1 1 124 124 GLU HG2 H 1 2.114 . . . . . . A 121 GLU HG2 . 19751 1 1225 . 1 1 124 124 GLU HG3 H 1 2.075 . . . . . . A 121 GLU HG3 . 19751 1 1226 . 1 1 124 124 GLU C C 13 175.49 . . . . . . A 121 GLU C . 19751 1 1227 . 1 1 124 124 GLU CA C 13 55.649 . . . . . . A 121 GLU CA . 19751 1 1228 . 1 1 124 124 GLU CB C 13 31.19 . . . . . . A 121 GLU CB . 19751 1 1229 . 1 1 124 124 GLU CG C 13 36.503 . . . . . . A 121 GLU CG . 19751 1 1230 . 1 1 124 124 GLU N N 15 128.46 . . . . . . A 121 GLU N . 19751 1 1231 . 1 1 125 125 LEU H H 1 8.642 . . . . . . A 122 LEU H . 19751 1 1232 . 1 1 125 125 LEU HA H 1 4.579 . . . . . . A 122 LEU HA . 19751 1 1233 . 1 1 125 125 LEU HB2 H 1 1.677 . . . . . . A 122 LEU HB2 . 19751 1 1234 . 1 1 125 125 LEU HB3 H 1 1.578 . . . . . . A 122 LEU HB3 . 19751 1 1235 . 1 1 125 125 LEU HG H 1 1.635 . . . . . . A 122 LEU HG . 19751 1 1236 . 1 1 125 125 LEU HD11 H 1 0.904 . . . . . . A 122 LEU HD11 . 19751 1 1237 . 1 1 125 125 LEU HD12 H 1 0.904 . . . . . . A 122 LEU HD12 . 19751 1 1238 . 1 1 125 125 LEU HD13 H 1 0.904 . . . . . . A 122 LEU HD13 . 19751 1 1239 . 1 1 125 125 LEU HD21 H 1 0.834 . . . . . . A 122 LEU HD21 . 19751 1 1240 . 1 1 125 125 LEU HD22 H 1 0.834 . . . . . . A 122 LEU HD22 . 19751 1 1241 . 1 1 125 125 LEU HD23 H 1 0.834 . . . . . . A 122 LEU HD23 . 19751 1 1242 . 1 1 125 125 LEU C C 13 177.291 . . . . . . A 122 LEU C . 19751 1 1243 . 1 1 125 125 LEU CA C 13 54.512 . . . . . . A 122 LEU CA . 19751 1 1244 . 1 1 125 125 LEU CB C 13 42.422 . . . . . . A 122 LEU CB . 19751 1 1245 . 1 1 125 125 LEU CG C 13 27.068 . . . . . . A 122 LEU CG . 19751 1 1246 . 1 1 125 125 LEU CD1 C 13 25.21 . . . . . . A 122 LEU CD1 . 19751 1 1247 . 1 1 125 125 LEU CD2 C 13 23.428 . . . . . . A 122 LEU CD2 . 19751 1 1248 . 1 1 125 125 LEU N N 15 126.756 . . . . . . A 122 LEU N . 19751 1 1249 . 1 1 126 126 SER H H 1 8.496 . . . . . . A 123 SER H . 19751 1 1250 . 1 1 126 126 SER HA H 1 4.43 . . . . . . A 123 SER HA . 19751 1 1251 . 1 1 126 126 SER HB2 H 1 3.839 . . . . . . A 123 SER HB2 . 19751 1 1252 . 1 1 126 126 SER HB3 H 1 3.839 . . . . . . A 123 SER HB3 . 19751 1 1253 . 1 1 126 126 SER C C 13 175.066 . . . . . . A 123 SER C . 19751 1 1254 . 1 1 126 126 SER CA C 13 58.499 . . . . . . A 123 SER CA . 19751 1 1255 . 1 1 126 126 SER CB C 13 63.946 . . . . . . A 123 SER CB . 19751 1 1256 . 1 1 126 126 SER N N 15 117.273 . . . . . . A 123 SER N . 19751 1 1257 . 1 1 127 127 GLY H H 1 8.566 . . . . . . A 124 GLY H . 19751 1 1258 . 1 1 127 127 GLY HA2 H 1 3.982 . . . . . . A 124 GLY HA2 . 19751 1 1259 . 1 1 127 127 GLY HA3 H 1 3.982 . . . . . . A 124 GLY HA3 . 19751 1 1260 . 1 1 127 127 GLY C C 13 174.099 . . . . . . A 124 GLY C . 19751 1 1261 . 1 1 127 127 GLY CA C 13 45.379 . . . . . . A 124 GLY CA . 19751 1 1262 . 1 1 127 127 GLY N N 15 111.28 . . . . . . A 124 GLY N . 19751 1 1263 . 1 1 128 128 ALA H H 1 8.158 . . . . . . A 125 ALA H . 19751 1 1264 . 1 1 128 128 ALA HA H 1 4.307 . . . . . . A 125 ALA HA . 19751 1 1265 . 1 1 128 128 ALA HB1 H 1 1.37 . . . . . . A 125 ALA HB1 . 19751 1 1266 . 1 1 128 128 ALA HB2 H 1 1.37 . . . . . . A 125 ALA HB2 . 19751 1 1267 . 1 1 128 128 ALA HB3 H 1 1.37 . . . . . . A 125 ALA HB3 . 19751 1 1268 . 1 1 128 128 ALA C C 13 177.915 . . . . . . A 125 ALA C . 19751 1 1269 . 1 1 128 128 ALA CA C 13 52.617 . . . . . . A 125 ALA CA . 19751 1 1270 . 1 1 128 128 ALA CB C 13 19.308 . . . . . . A 125 ALA CB . 19751 1 1271 . 1 1 128 128 ALA N N 15 123.586 . . . . . . A 125 ALA N . 19751 1 1272 . 1 1 129 129 GLU H H 1 8.524 . . . . . . A 126 GLU H . 19751 1 1273 . 1 1 129 129 GLU HA H 1 4.351 . . . . . . A 126 GLU HA . 19751 1 1274 . 1 1 129 129 GLU HB2 H 1 1.62 . . . . . . A 126 GLU HB2 . 19751 1 1275 . 1 1 129 129 GLU HB3 H 1 1.62 . . . . . . A 126 GLU HB3 . 19751 1 1276 . 1 1 129 129 GLU C C 13 176.544 . . . . . . A 126 GLU C . 19751 1 1277 . 1 1 129 129 GLU CA C 13 56.883 . . . . . . A 126 GLU CA . 19751 1 1278 . 1 1 129 129 GLU CB C 13 30.61 . . . . . . A 126 GLU CB . 19751 1 1279 . 1 1 129 129 GLU CG C 13 37.467 . . . . . . A 126 GLU CG . 19751 1 1280 . 1 1 129 129 GLU N N 15 120.076 . . . . . . A 126 GLU N . 19751 1 1281 . 1 1 130 130 GLN H H 1 8.356 . . . . . . A 127 GLN H . 19751 1 1282 . 1 1 130 130 GLN HA H 1 4.307 . . . . . . A 127 GLN HA . 19751 1 1283 . 1 1 130 130 GLN HB2 H 1 1.973 . . . . . . A 127 GLN HB2 . 19751 1 1284 . 1 1 130 130 GLN HB3 H 1 1.941 . . . . . . A 127 GLN HB3 . 19751 1 1285 . 1 1 130 130 GLN HG2 H 1 2.092 . . . . . . A 127 GLN HG2 . 19751 1 1286 . 1 1 130 130 GLN HG3 H 1 2.095 . . . . . . A 127 GLN HG3 . 19751 1 1287 . 1 1 130 130 GLN C C 13 175.691 . . . . . . A 127 GLN C . 19751 1 1288 . 1 1 130 130 GLN CA C 13 55.58 . . . . . . A 127 GLN CA . 19751 1 1289 . 1 1 130 130 GLN CB C 13 29.703 . . . . . . A 127 GLN CB . 19751 1 1290 . 1 1 130 130 GLN CG C 13 33.8 . . . . . . A 127 GLN CG . 19751 1 1291 . 1 1 130 130 GLN N N 15 121.453 . . . . . . A 127 GLN N . 19751 1 1292 . 1 1 131 131 GLN H H 1 8.348 . . . . . . A 128 GLN H . 19751 1 1293 . 1 1 131 131 GLN HA H 1 4.585 . . . . . . A 128 GLN HA . 19751 1 1294 . 1 1 131 131 GLN HB2 H 1 2.085 . . . . . . A 128 GLN HB2 . 19751 1 1295 . 1 1 131 131 GLN HB3 H 1 1.924 . . . . . . A 128 GLN HB3 . 19751 1 1296 . 1 1 131 131 GLN HG2 H 1 2.388 . . . . . . A 128 GLN HG2 . 19751 1 1297 . 1 1 131 131 GLN HG3 H 1 2.388 . . . . . . A 128 GLN HG3 . 19751 1 1298 . 1 1 131 131 GLN CA C 13 53.744 . . . . . . A 128 GLN CA . 19751 1 1299 . 1 1 131 131 GLN CB C 13 28.864 . . . . . . A 128 GLN CB . 19751 1 1300 . 1 1 131 131 GLN CG C 13 33.518 . . . . . . A 128 GLN CG . 19751 1 1301 . 1 1 131 131 GLN N N 15 122.57 . . . . . . A 128 GLN N . 19751 1 1302 . 1 1 132 132 PRO HA H 1 4.401 . . . . . . A 129 PRO HA . 19751 1 1303 . 1 1 132 132 PRO HB2 H 1 1.944 . . . . . . A 129 PRO HB2 . 19751 1 1304 . 1 1 132 132 PRO HB3 H 1 2.301 . . . . . . A 129 PRO HB3 . 19751 1 1305 . 1 1 132 132 PRO HG2 H 1 2.012 . . . . . . A 129 PRO HG2 . 19751 1 1306 . 1 1 132 132 PRO HG3 H 1 2.012 . . . . . . A 129 PRO HG3 . 19751 1 1307 . 1 1 132 132 PRO HD2 H 1 3.758 . . . . . . A 129 PRO HD2 . 19751 1 1308 . 1 1 132 132 PRO HD3 H 1 3.758 . . . . . . A 129 PRO HD3 . 19751 1 1309 . 1 1 132 132 PRO C C 13 175.988 . . . . . . A 129 PRO C . 19751 1 1310 . 1 1 132 132 PRO CA C 13 63.449 . . . . . . A 129 PRO CA . 19751 1 1311 . 1 1 132 132 PRO CB C 13 31.957 . . . . . . A 129 PRO CB . 19751 1 1312 . 1 1 132 132 PRO CG C 13 27.212 . . . . . . A 129 PRO CG . 19751 1 1313 . 1 1 132 132 PRO CD C 13 50.843 . . . . . . A 129 PRO CD . 19751 1 1314 . 1 1 133 133 LYS H H 1 8.022 . . . . . . A 130 LYS H . 19751 1 1315 . 1 1 133 133 LYS HA H 1 4.142 . . . . . . A 130 LYS HA . 19751 1 1316 . 1 1 133 133 LYS HB2 H 1 1.823 . . . . . . A 130 LYS HB2 . 19751 1 1317 . 1 1 133 133 LYS HB3 H 1 1.706 . . . . . . A 130 LYS HB3 . 19751 1 1318 . 1 1 133 133 LYS HG2 H 1 1.422 . . . . . . A 130 LYS HG2 . 19751 1 1319 . 1 1 133 133 LYS HG3 H 1 1.422 . . . . . . A 130 LYS HG3 . 19751 1 1320 . 1 1 133 133 LYS HD2 H 1 1.668 . . . . . . A 130 LYS HD2 . 19751 1 1321 . 1 1 133 133 LYS HD3 H 1 1.668 . . . . . . A 130 LYS HD3 . 19751 1 1322 . 1 1 133 133 LYS HE2 H 1 2.988 . . . . . . A 130 LYS HE2 . 19751 1 1323 . 1 1 133 133 LYS HE3 H 1 2.988 . . . . . . A 130 LYS HE3 . 19751 1 1324 . 1 1 133 133 LYS CA C 13 57.794 . . . . . . A 130 LYS CA . 19751 1 1325 . 1 1 133 133 LYS CB C 13 33.569 . . . . . . A 130 LYS CB . 19751 1 1326 . 1 1 133 133 LYS CG C 13 24.492 . . . . . . A 130 LYS CG . 19751 1 1327 . 1 1 133 133 LYS CD C 13 29.065 . . . . . . A 130 LYS CD . 19751 1 1328 . 1 1 133 133 LYS CE C 13 42.236 . . . . . . A 130 LYS CE . 19751 1 1329 . 1 1 133 133 LYS N N 15 127.06 . . . . . . A 130 LYS N . 19751 1 stop_ save_