data_6244 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6244 _Entry.Title ; Novel all alpha-helical fold for gene target gi3844938 from Mycoplasma genitalium ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-06-22 _Entry.Accession_date 2004-06-22 _Entry.Last_release_date 2004-08-04 _Entry.Original_release_date 2004-08-04 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details ; Berkeley Structural Genomics Center target gi3844938 from Mycoplasma genitalium ; _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 Jianxia Shi . . . 6244 2 Jeffrey Pelton . G. . 6244 3 David Wemmer . E. . 6244 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6244 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 812 6244 '13C chemical shifts' 557 6244 '15N chemical shifts' 132 6244 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 . . 2004-08-04 2004-06-22 original author . 6244 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6244 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Novel all alpha-helical fold for gene target gi3844938 from Mycoplasma genitalium ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Jianxia Shi . . . 6244 1 2 Jeffrey Pelton . G. . 6244 1 3 Hisao Yokota . . . 6244 1 4 Rosalind Kim . . . 6244 1 5 David Wemmer . . . 6244 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'protein fold' 6244 1 BSGC 6244 1 'structural genomics' 6244 1 nmr 6244 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_conserved_hypothetical_protein _Assembly.Sf_category assembly _Assembly.Sf_framecode conserved_hypothetical_protein _Assembly.Entry_ID 6244 _Assembly.ID 1 _Assembly.Name 'Mycoplasma Genitalium gi3844938' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not reported' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details ; There are three CYS in the moleucle. The states for none of the three have been determined. The structures upon which the assignments are based suggest the formation of a disulfide bond between CYS-18 and CYS-99. This has not been determined experimentally, however. ; _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6244 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 gi3844938 1 $1279B . . . native . . . . . 6244 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Mycoplasma Genitalium gi3844938' system 6244 1 'conserved hypothetical protein' abbreviation 6244 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_1279B _Entity.Sf_category entity _Entity.Sf_framecode 1279B _Entity.Entry_ID 6244 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name gi3844938 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MEQNNIKEQLISFFNQACST HQERLDFICSTRESDTFSSV DVPLEPIKNIIEITKDENQQ IEITKIAVNNIKTLSSVGAT GQYMASFFSTNSEPAIIFCV IYFLYHFGFLKDNNKKQIIK KAYETIADNIADYLNEN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 137 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not reported' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15703 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1TM9 . "Nmr Structure Of Gene Target Number Gi3844938 From Mycoplasma Genitalium: Berkeley Structural Genomics Center" . . . . . 100.00 137 100.00 100.00 1.63e-93 . . . . 6244 1 2 no GB AAC71579 . "conserved hypothetical protein [Mycoplasma genitalium G37]" . . . . . 100.00 137 100.00 100.00 1.63e-93 . . . . 6244 1 3 no GB ABY79523 . "conserved hypothetical protein [synthetic Mycoplasma genitalium JCVI-1.0]" . . . . . 100.00 137 100.00 100.00 1.63e-93 . . . . 6244 1 4 no GB AFQ03197 . "hypothetical protein CM9_02115 [Mycoplasma genitalium M2321]" . . . . . 100.00 137 100.00 100.00 1.63e-93 . . . . 6244 1 5 no GB AFQ03682 . "hypothetical protein CM3_02230 [Mycoplasma genitalium M6282]" . . . . . 100.00 137 100.00 100.00 1.63e-93 . . . . 6244 1 6 no GB AFQ04187 . "hypothetical protein CM1_02155 [Mycoplasma genitalium M6320]" . . . . . 100.00 137 100.00 100.00 1.63e-93 . . . . 6244 1 7 no REF NP_073025 . "hypothetical protein MG_354 [Mycoplasma genitalium G37]" . . . . . 100.00 137 100.00 100.00 1.63e-93 . . . . 6244 1 8 no REF WP_009885812 . "hypothetical protein [Mycoplasma genitalium]" . . . . . 100.00 137 100.00 100.00 1.63e-93 . . . . 6244 1 9 no REF YP_006599905 . "hypothetical protein CM9_02115 [Mycoplasma genitalium M2321]" . . . . . 100.00 137 100.00 100.00 1.63e-93 . . . . 6244 1 10 no REF YP_006600390 . "hypothetical protein CM3_02230 [Mycoplasma genitalium M6282]" . . . . . 100.00 137 100.00 100.00 1.63e-93 . . . . 6244 1 11 no REF YP_006600895 . "hypothetical protein CM1_02155 [Mycoplasma genitalium M6320]" . . . . . 100.00 137 100.00 100.00 1.63e-93 . . . . 6244 1 12 no SP P47596 . "RecName: Full=Uncharacterized protein MG354 [Mycoplasma genitalium G37]" . . . . . 100.00 137 100.00 100.00 1.63e-93 . . . . 6244 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID gi3844938 common 6244 1 1279B abbreviation 6244 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 6244 1 2 . GLU . 6244 1 3 . GLN . 6244 1 4 . ASN . 6244 1 5 . ASN . 6244 1 6 . ILE . 6244 1 7 . LYS . 6244 1 8 . GLU . 6244 1 9 . GLN . 6244 1 10 . LEU . 6244 1 11 . ILE . 6244 1 12 . SER . 6244 1 13 . PHE . 6244 1 14 . PHE . 6244 1 15 . ASN . 6244 1 16 . GLN . 6244 1 17 . ALA . 6244 1 18 . CYS . 6244 1 19 . SER . 6244 1 20 . THR . 6244 1 21 . HIS . 6244 1 22 . GLN . 6244 1 23 . GLU . 6244 1 24 . ARG . 6244 1 25 . LEU . 6244 1 26 . ASP . 6244 1 27 . PHE . 6244 1 28 . ILE . 6244 1 29 . CYS . 6244 1 30 . SER . 6244 1 31 . THR . 6244 1 32 . ARG . 6244 1 33 . GLU . 6244 1 34 . SER . 6244 1 35 . ASP . 6244 1 36 . THR . 6244 1 37 . PHE . 6244 1 38 . SER . 6244 1 39 . SER . 6244 1 40 . VAL . 6244 1 41 . ASP . 6244 1 42 . VAL . 6244 1 43 . PRO . 6244 1 44 . LEU . 6244 1 45 . GLU . 6244 1 46 . PRO . 6244 1 47 . ILE . 6244 1 48 . LYS . 6244 1 49 . ASN . 6244 1 50 . ILE . 6244 1 51 . ILE . 6244 1 52 . GLU . 6244 1 53 . ILE . 6244 1 54 . THR . 6244 1 55 . LYS . 6244 1 56 . ASP . 6244 1 57 . GLU . 6244 1 58 . ASN . 6244 1 59 . GLN . 6244 1 60 . GLN . 6244 1 61 . ILE . 6244 1 62 . GLU . 6244 1 63 . ILE . 6244 1 64 . THR . 6244 1 65 . LYS . 6244 1 66 . ILE . 6244 1 67 . ALA . 6244 1 68 . VAL . 6244 1 69 . ASN . 6244 1 70 . ASN . 6244 1 71 . ILE . 6244 1 72 . LYS . 6244 1 73 . THR . 6244 1 74 . LEU . 6244 1 75 . SER . 6244 1 76 . SER . 6244 1 77 . VAL . 6244 1 78 . GLY . 6244 1 79 . ALA . 6244 1 80 . THR . 6244 1 81 . GLY . 6244 1 82 . GLN . 6244 1 83 . TYR . 6244 1 84 . MET . 6244 1 85 . ALA . 6244 1 86 . SER . 6244 1 87 . PHE . 6244 1 88 . PHE . 6244 1 89 . SER . 6244 1 90 . THR . 6244 1 91 . ASN . 6244 1 92 . SER . 6244 1 93 . GLU . 6244 1 94 . PRO . 6244 1 95 . ALA . 6244 1 96 . ILE . 6244 1 97 . ILE . 6244 1 98 . PHE . 6244 1 99 . CYS . 6244 1 100 . VAL . 6244 1 101 . ILE . 6244 1 102 . TYR . 6244 1 103 . PHE . 6244 1 104 . LEU . 6244 1 105 . TYR . 6244 1 106 . HIS . 6244 1 107 . PHE . 6244 1 108 . GLY . 6244 1 109 . PHE . 6244 1 110 . LEU . 6244 1 111 . LYS . 6244 1 112 . ASP . 6244 1 113 . ASN . 6244 1 114 . ASN . 6244 1 115 . LYS . 6244 1 116 . LYS . 6244 1 117 . GLN . 6244 1 118 . ILE . 6244 1 119 . ILE . 6244 1 120 . LYS . 6244 1 121 . LYS . 6244 1 122 . ALA . 6244 1 123 . TYR . 6244 1 124 . GLU . 6244 1 125 . THR . 6244 1 126 . ILE . 6244 1 127 . ALA . 6244 1 128 . ASP . 6244 1 129 . ASN . 6244 1 130 . ILE . 6244 1 131 . ALA . 6244 1 132 . ASP . 6244 1 133 . TYR . 6244 1 134 . LEU . 6244 1 135 . ASN . 6244 1 136 . GLU . 6244 1 137 . ASN . 6244 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 6244 1 . GLU 2 2 6244 1 . GLN 3 3 6244 1 . ASN 4 4 6244 1 . ASN 5 5 6244 1 . ILE 6 6 6244 1 . LYS 7 7 6244 1 . GLU 8 8 6244 1 . GLN 9 9 6244 1 . LEU 10 10 6244 1 . ILE 11 11 6244 1 . SER 12 12 6244 1 . PHE 13 13 6244 1 . PHE 14 14 6244 1 . ASN 15 15 6244 1 . GLN 16 16 6244 1 . ALA 17 17 6244 1 . CYS 18 18 6244 1 . SER 19 19 6244 1 . THR 20 20 6244 1 . HIS 21 21 6244 1 . GLN 22 22 6244 1 . GLU 23 23 6244 1 . ARG 24 24 6244 1 . LEU 25 25 6244 1 . ASP 26 26 6244 1 . PHE 27 27 6244 1 . ILE 28 28 6244 1 . CYS 29 29 6244 1 . SER 30 30 6244 1 . THR 31 31 6244 1 . ARG 32 32 6244 1 . GLU 33 33 6244 1 . SER 34 34 6244 1 . ASP 35 35 6244 1 . THR 36 36 6244 1 . PHE 37 37 6244 1 . SER 38 38 6244 1 . SER 39 39 6244 1 . VAL 40 40 6244 1 . ASP 41 41 6244 1 . VAL 42 42 6244 1 . PRO 43 43 6244 1 . LEU 44 44 6244 1 . GLU 45 45 6244 1 . PRO 46 46 6244 1 . ILE 47 47 6244 1 . LYS 48 48 6244 1 . ASN 49 49 6244 1 . ILE 50 50 6244 1 . ILE 51 51 6244 1 . GLU 52 52 6244 1 . ILE 53 53 6244 1 . THR 54 54 6244 1 . LYS 55 55 6244 1 . ASP 56 56 6244 1 . GLU 57 57 6244 1 . ASN 58 58 6244 1 . GLN 59 59 6244 1 . GLN 60 60 6244 1 . ILE 61 61 6244 1 . GLU 62 62 6244 1 . ILE 63 63 6244 1 . THR 64 64 6244 1 . LYS 65 65 6244 1 . ILE 66 66 6244 1 . ALA 67 67 6244 1 . VAL 68 68 6244 1 . ASN 69 69 6244 1 . ASN 70 70 6244 1 . ILE 71 71 6244 1 . LYS 72 72 6244 1 . THR 73 73 6244 1 . LEU 74 74 6244 1 . SER 75 75 6244 1 . SER 76 76 6244 1 . VAL 77 77 6244 1 . GLY 78 78 6244 1 . ALA 79 79 6244 1 . THR 80 80 6244 1 . GLY 81 81 6244 1 . GLN 82 82 6244 1 . TYR 83 83 6244 1 . MET 84 84 6244 1 . ALA 85 85 6244 1 . SER 86 86 6244 1 . PHE 87 87 6244 1 . PHE 88 88 6244 1 . SER 89 89 6244 1 . THR 90 90 6244 1 . ASN 91 91 6244 1 . SER 92 92 6244 1 . GLU 93 93 6244 1 . PRO 94 94 6244 1 . ALA 95 95 6244 1 . ILE 96 96 6244 1 . ILE 97 97 6244 1 . PHE 98 98 6244 1 . CYS 99 99 6244 1 . VAL 100 100 6244 1 . ILE 101 101 6244 1 . TYR 102 102 6244 1 . PHE 103 103 6244 1 . LEU 104 104 6244 1 . TYR 105 105 6244 1 . HIS 106 106 6244 1 . PHE 107 107 6244 1 . GLY 108 108 6244 1 . PHE 109 109 6244 1 . LEU 110 110 6244 1 . LYS 111 111 6244 1 . ASP 112 112 6244 1 . ASN 113 113 6244 1 . ASN 114 114 6244 1 . LYS 115 115 6244 1 . LYS 116 116 6244 1 . GLN 117 117 6244 1 . ILE 118 118 6244 1 . ILE 119 119 6244 1 . LYS 120 120 6244 1 . LYS 121 121 6244 1 . ALA 122 122 6244 1 . TYR 123 123 6244 1 . GLU 124 124 6244 1 . THR 125 125 6244 1 . ILE 126 126 6244 1 . ALA 127 127 6244 1 . ASP 128 128 6244 1 . ASN 129 129 6244 1 . ILE 130 130 6244 1 . ALA 131 131 6244 1 . ASP 132 132 6244 1 . TYR 133 133 6244 1 . LEU 134 134 6244 1 . ASN 135 135 6244 1 . GLU 136 136 6244 1 . ASN 137 137 6244 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 6244 _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 $1279B . 243273 . . 'Mycoplasma genitalium' 'Mycoplasma genitalium' . . Eubacteria . Mycoplasma genitalium . . . . . . . . . . . . . . . . . . . . . 6244 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 6244 _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 $1279B . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21 DE3 . . . . . . . . . . . . . . . . . . . . . 6244 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6244 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 gi3844938 '[U-93% 13C; U-98% 15N]' . . 1 $1279B . . 1.0 . . mM . . . . 6244 1 2 KPO4 . . . . . . . 25 . . mM . . . . 6244 1 3 NaCl . . . . . . . 100 . . mM . . . . 6244 1 4 EDTA . . . . . . . 1 . . mM . . . . 6244 1 5 TCEP . . . . . . . 1 . . mM . . . . 6244 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 6244 _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 6.7 0.1 na 6244 1 temperature 298 1 K 6244 1 'ionic strength' 0.14 0.03 M 6244 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 6244 _Software.ID 1 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details 'Bruce Johnson, Merck' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Data analysis' 6244 1 stop_ save_ save_nmrPipe _Software.Sf_category software _Software.Sf_framecode nmrPipe _Software.Entry_ID 6244 _Software.ID 2 _Software.Name nmrPipe _Software.Version 2.1 _Software.Details ; NMRPipe: a multidimensional spectral processing system based on UNIX pipes. J Biomol NMR. 1995 Nov;6(3):277-93. ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Data processing' 6244 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 6244 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer DRX _NMR_spectrometer.Model Bruker _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 6244 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer DRX _NMR_spectrometer.Model Bruker _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6244 _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 NMR_spectrometer_1 DRX Bruker . 500 . . . 6244 1 2 NMR_spectrometer_2 DRX Bruker . 600 . . . 6244 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 6244 _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 15N-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6244 1 2 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6244 1 3 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6244 1 4 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6244 1 5 HNCACO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6244 1 6 HACANH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6244 1 7 'hC CONH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6244 1 8 'Hc CONH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6244 1 9 HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6244 1 10 15N-NOESY-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6244 1 11 15N-TOCSY-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6244 1 12 '2D NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6244 1 13 '2D TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6244 1 14 '2D 13C Double half-filtered TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6244 1 15 '2D 13C Dboule half-filtered NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6244 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 6244 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 15N-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6244 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6244 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6244 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 6244 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCACO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 6244 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HACANH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 6244 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name 'hC CONH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 6244 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name 'Hc CONH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 6244 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 6244 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name 15N-NOESY-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 6244 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name 15N-TOCSY-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 6244 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name '2D NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_13 _NMR_spec_expt.Entry_ID 6244 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name '2D TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_14 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_14 _NMR_spec_expt.Entry_ID 6244 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name '2D 13C Double half-filtered TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_15 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_15 _NMR_spec_expt.Entry_ID 6244 _NMR_spec_expt.ID 15 _NMR_spec_expt.Name '2D 13C Dboule half-filtered NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6244 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.000000000 . . . . . . . . . 6244 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6244 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6244 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 6244 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 15N-HSQC 1 $sample_1 . 6244 1 2 HNCA 1 $sample_1 . 6244 1 3 CBCA(CO)NH 1 $sample_1 . 6244 1 4 HNCACB 1 $sample_1 . 6244 1 5 HNCACO 1 $sample_1 . 6244 1 6 HACANH 1 $sample_1 . 6244 1 7 'hC CONH' 1 $sample_1 . 6244 1 8 'Hc CONH' 1 $sample_1 . 6244 1 9 HCCH-TOCSY 1 $sample_1 . 6244 1 10 15N-NOESY-HSQC 1 $sample_1 . 6244 1 11 15N-TOCSY-HSQC 1 $sample_1 . 6244 1 12 '2D NOESY' 1 $sample_1 . 6244 1 13 '2D TOCSY' 1 $sample_1 . 6244 1 14 '2D 13C Double half-filtered TOCSY' 1 $sample_1 . 6244 1 15 '2D 13C Dboule half-filtered NOESY' 1 $sample_1 . 6244 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.39 0.02 . 1 . . . . . . . . 6244 1 2 . 1 1 1 1 MET HB2 H 1 1.90 0.02 . 2 . . . . . . . . 6244 1 3 . 1 1 1 1 MET HG2 H 1 2.39 0.02 . 2 . . . . . . . . 6244 1 4 . 1 1 1 1 MET C C 13 176.3 0.2 . 1 . . . . . . . . 6244 1 5 . 1 1 1 1 MET CA C 13 55.9 0.2 . 1 . . . . . . . . 6244 1 6 . 1 1 1 1 MET CB C 13 32.9 0.2 . 1 . . . . . . . . 6244 1 7 . 1 1 1 1 MET CG C 13 36.5 0.2 . 1 . . . . . . . . 6244 1 8 . 1 1 2 2 GLU H H 1 8.35 0.02 . 1 . . . . . . . . 6244 1 9 . 1 1 2 2 GLU HA H 1 4.13 0.02 . 1 . . . . . . . . 6244 1 10 . 1 1 2 2 GLU HB2 H 1 1.94 0.02 . 2 . . . . . . . . 6244 1 11 . 1 1 2 2 GLU HG2 H 1 2.20 0.02 . 2 . . . . . . . . 6244 1 12 . 1 1 2 2 GLU C C 13 177.0 0.2 . 1 . . . . . . . . 6244 1 13 . 1 1 2 2 GLU CA C 13 57.5 0.2 . 1 . . . . . . . . 6244 1 14 . 1 1 2 2 GLU CB C 13 30.0 0.2 . 1 . . . . . . . . 6244 1 15 . 1 1 2 2 GLU CG C 13 36.6 0.2 . 1 . . . . . . . . 6244 1 16 . 1 1 2 2 GLU N N 15 121.8 0.1 . 1 . . . . . . . . 6244 1 17 . 1 1 3 3 GLN H H 1 8.34 0.02 . 1 . . . . . . . . 6244 1 18 . 1 1 3 3 GLN HA H 1 4.04 0.02 . 1 . . . . . . . . 6244 1 19 . 1 1 3 3 GLN HB2 H 1 1.99 0.02 . 2 . . . . . . . . 6244 1 20 . 1 1 3 3 GLN HG2 H 1 2.23 0.02 . 2 . . . . . . . . 6244 1 21 . 1 1 3 3 GLN C C 13 176.0 0.2 . 1 . . . . . . . . 6244 1 22 . 1 1 3 3 GLN CA C 13 57.2 0.2 . 1 . . . . . . . . 6244 1 23 . 1 1 3 3 GLN CB C 13 29.8 0.2 . 1 . . . . . . . . 6244 1 24 . 1 1 3 3 GLN CG C 13 34.0 0.2 . 1 . . . . . . . . 6244 1 25 . 1 1 3 3 GLN N N 15 120.7 0.1 . 1 . . . . . . . . 6244 1 26 . 1 1 4 4 ASN H H 1 8.39 0.02 . 1 . . . . . . . . 6244 1 27 . 1 1 4 4 ASN HA H 1 4.50 0.02 . 1 . . . . . . . . 6244 1 28 . 1 1 4 4 ASN HB2 H 1 2.69 0.02 . 2 . . . . . . . . 6244 1 29 . 1 1 4 4 ASN C C 13 175.5 0.2 . 1 . . . . . . . . 6244 1 30 . 1 1 4 4 ASN CA C 13 54.1 0.2 . 1 . . . . . . . . 6244 1 31 . 1 1 4 4 ASN CB C 13 38.8 0.2 . 1 . . . . . . . . 6244 1 32 . 1 1 4 4 ASN N N 15 119.2 0.1 . 1 . . . . . . . . 6244 1 33 . 1 1 5 5 ASN H H 1 8.18 0.02 . 1 . . . . . . . . 6244 1 34 . 1 1 5 5 ASN HA H 1 4.58 0.02 . 1 . . . . . . . . 6244 1 35 . 1 1 5 5 ASN HB2 H 1 2.79 0.02 . 2 . . . . . . . . 6244 1 36 . 1 1 5 5 ASN C C 13 176.5 0.2 . 1 . . . . . . . . 6244 1 37 . 1 1 5 5 ASN CA C 13 54.1 0.2 . 1 . . . . . . . . 6244 1 38 . 1 1 5 5 ASN CB C 13 38.9 0.2 . 1 . . . . . . . . 6244 1 39 . 1 1 5 5 ASN N N 15 120.1 0.1 . 1 . . . . . . . . 6244 1 40 . 1 1 6 6 ILE H H 1 8.14 0.02 . 1 . . . . . . . . 6244 1 41 . 1 1 6 6 ILE HA H 1 3.72 0.02 . 1 . . . . . . . . 6244 1 42 . 1 1 6 6 ILE HB H 1 1.83 0.02 . 1 . . . . . . . . 6244 1 43 . 1 1 6 6 ILE HG12 H 1 1.17 0.02 . 2 . . . . . . . . 6244 1 44 . 1 1 6 6 ILE HG13 H 1 1.42 0.02 . 2 . . . . . . . . 6244 1 45 . 1 1 6 6 ILE HG21 H 1 0.70 0.02 . 1 . . . . . . . . 6244 1 46 . 1 1 6 6 ILE HG22 H 1 0.70 0.02 . 1 . . . . . . . . 6244 1 47 . 1 1 6 6 ILE HG23 H 1 0.70 0.02 . 1 . . . . . . . . 6244 1 48 . 1 1 6 6 ILE HD11 H 1 0.78 0.02 . 1 . . . . . . . . 6244 1 49 . 1 1 6 6 ILE HD12 H 1 0.78 0.02 . 1 . . . . . . . . 6244 1 50 . 1 1 6 6 ILE HD13 H 1 0.78 0.02 . 1 . . . . . . . . 6244 1 51 . 1 1 6 6 ILE C C 13 176.8 0.2 . 1 . . . . . . . . 6244 1 52 . 1 1 6 6 ILE CA C 13 63.8 0.2 . 1 . . . . . . . . 6244 1 53 . 1 1 6 6 ILE CB C 13 37.7 0.2 . 1 . . . . . . . . 6244 1 54 . 1 1 6 6 ILE CG1 C 13 29.6 0.2 . 2 . . . . . . . . 6244 1 55 . 1 1 6 6 ILE CG2 C 13 17.8 0.2 . 1 . . . . . . . . 6244 1 56 . 1 1 6 6 ILE CD1 C 13 13.2 0.2 . 1 . . . . . . . . 6244 1 57 . 1 1 6 6 ILE N N 15 121.8 0.1 . 1 . . . . . . . . 6244 1 58 . 1 1 7 7 LYS H H 1 8.25 0.02 . 1 . . . . . . . . 6244 1 59 . 1 1 7 7 LYS HA H 1 3.51 0.02 . 1 . . . . . . . . 6244 1 60 . 1 1 7 7 LYS HB2 H 1 1.81 0.02 . 2 . . . . . . . . 6244 1 61 . 1 1 7 7 LYS HG2 H 1 1.25 0.02 . 2 . . . . . . . . 6244 1 62 . 1 1 7 7 LYS HD2 H 1 1.63 0.02 . 2 . . . . . . . . 6244 1 63 . 1 1 7 7 LYS HE2 H 1 2.79 0.02 . 2 . . . . . . . . 6244 1 64 . 1 1 7 7 LYS HE3 H 1 2.69 0.02 . 2 . . . . . . . . 6244 1 65 . 1 1 7 7 LYS C C 13 177.4 0.2 . 1 . . . . . . . . 6244 1 66 . 1 1 7 7 LYS CA C 13 61.3 0.2 . 1 . . . . . . . . 6244 1 67 . 1 1 7 7 LYS CB C 13 32.3 0.2 . 1 . . . . . . . . 6244 1 68 . 1 1 7 7 LYS CG C 13 25.1 0.2 . 1 . . . . . . . . 6244 1 69 . 1 1 7 7 LYS CD C 13 29.5 0.2 . 1 . . . . . . . . 6244 1 70 . 1 1 7 7 LYS CE C 13 42.1 0.2 . 1 . . . . . . . . 6244 1 71 . 1 1 7 7 LYS N N 15 121.6 0.1 . 1 . . . . . . . . 6244 1 72 . 1 1 8 8 GLU H H 1 7.75 0.02 . 1 . . . . . . . . 6244 1 73 . 1 1 8 8 GLU HA H 1 3.81 0.02 . 1 . . . . . . . . 6244 1 74 . 1 1 8 8 GLU HB2 H 1 1.92 0.02 . 2 . . . . . . . . 6244 1 75 . 1 1 8 8 GLU HG2 H 1 2.23 0.02 . 2 . . . . . . . . 6244 1 76 . 1 1 8 8 GLU C C 13 179.7 0.2 . 1 . . . . . . . . 6244 1 77 . 1 1 8 8 GLU CA C 13 59.5 0.2 . 1 . . . . . . . . 6244 1 78 . 1 1 8 8 GLU CB C 13 29.5 0.2 . 1 . . . . . . . . 6244 1 79 . 1 1 8 8 GLU CG C 13 36.8 0.2 . 1 . . . . . . . . 6244 1 80 . 1 1 8 8 GLU N N 15 115.6 0.1 . 1 . . . . . . . . 6244 1 81 . 1 1 9 9 GLN H H 1 7.78 0.02 . 1 . . . . . . . . 6244 1 82 . 1 1 9 9 GLN HA H 1 3.71 0.02 . 1 . . . . . . . . 6244 1 83 . 1 1 9 9 GLN HB2 H 1 1.85 0.02 . 2 . . . . . . . . 6244 1 84 . 1 1 9 9 GLN HB3 H 1 1.99 0.02 . 2 . . . . . . . . 6244 1 85 . 1 1 9 9 GLN HG2 H 1 2.25 0.02 . 2 . . . . . . . . 6244 1 86 . 1 1 9 9 GLN HG3 H 1 2.02 0.02 . 2 . . . . . . . . 6244 1 87 . 1 1 9 9 GLN C C 13 177.7 0.2 . 1 . . . . . . . . 6244 1 88 . 1 1 9 9 GLN CA C 13 59.2 0.2 . 1 . . . . . . . . 6244 1 89 . 1 1 9 9 GLN CB C 13 29.8 0.2 . 1 . . . . . . . . 6244 1 90 . 1 1 9 9 GLN CG C 13 34.5 0.2 . 1 . . . . . . . . 6244 1 91 . 1 1 9 9 GLN N N 15 119.8 0.1 . 1 . . . . . . . . 6244 1 92 . 1 1 10 10 LEU H H 1 8.25 0.02 . 1 . . . . . . . . 6244 1 93 . 1 1 10 10 LEU HA H 1 3.83 0.02 . 1 . . . . . . . . 6244 1 94 . 1 1 10 10 LEU HB2 H 1 2.01 0.02 . 2 . . . . . . . . 6244 1 95 . 1 1 10 10 LEU HB3 H 1 1.16 0.02 . 2 . . . . . . . . 6244 1 96 . 1 1 10 10 LEU HG H 1 2.05 0.02 . 1 . . . . . . . . 6244 1 97 . 1 1 10 10 LEU HD11 H 1 0.62 0.02 . 1 . . . . . . . . 6244 1 98 . 1 1 10 10 LEU HD12 H 1 0.62 0.02 . 1 . . . . . . . . 6244 1 99 . 1 1 10 10 LEU HD13 H 1 0.62 0.02 . 1 . . . . . . . . 6244 1 100 . 1 1 10 10 LEU HD21 H 1 0.69 0.02 . 1 . . . . . . . . 6244 1 101 . 1 1 10 10 LEU HD22 H 1 0.69 0.02 . 1 . . . . . . . . 6244 1 102 . 1 1 10 10 LEU HD23 H 1 0.69 0.02 . 1 . . . . . . . . 6244 1 103 . 1 1 10 10 LEU C C 13 178.5 0.2 . 1 . . . . . . . . 6244 1 104 . 1 1 10 10 LEU CA C 13 58.9 0.2 . 1 . . . . . . . . 6244 1 105 . 1 1 10 10 LEU CB C 13 41.8 0.2 . 1 . . . . . . . . 6244 1 106 . 1 1 10 10 LEU CG C 13 25.5 0.2 . 1 . . . . . . . . 6244 1 107 . 1 1 10 10 LEU CD1 C 13 25.3 0.2 . 1 . . . . . . . . 6244 1 108 . 1 1 10 10 LEU CD2 C 13 22.9 0.2 . 1 . . . . . . . . 6244 1 109 . 1 1 10 10 LEU N N 15 117.9 0.1 . 1 . . . . . . . . 6244 1 110 . 1 1 11 11 ILE H H 1 7.70 0.02 . 1 . . . . . . . . 6244 1 111 . 1 1 11 11 ILE HA H 1 3.40 0.02 . 1 . . . . . . . . 6244 1 112 . 1 1 11 11 ILE HB H 1 1.65 0.02 . 1 . . . . . . . . 6244 1 113 . 1 1 11 11 ILE HG12 H 1 1.84 0.02 . 2 . . . . . . . . 6244 1 114 . 1 1 11 11 ILE HG21 H 1 0.84 0.02 . 1 . . . . . . . . 6244 1 115 . 1 1 11 11 ILE HG22 H 1 0.84 0.02 . 1 . . . . . . . . 6244 1 116 . 1 1 11 11 ILE HG23 H 1 0.84 0.02 . 1 . . . . . . . . 6244 1 117 . 1 1 11 11 ILE HD11 H 1 0.74 0.02 . 1 . . . . . . . . 6244 1 118 . 1 1 11 11 ILE HD12 H 1 0.74 0.02 . 1 . . . . . . . . 6244 1 119 . 1 1 11 11 ILE HD13 H 1 0.74 0.02 . 1 . . . . . . . . 6244 1 120 . 1 1 11 11 ILE C C 13 177.1 0.2 . 1 . . . . . . . . 6244 1 121 . 1 1 11 11 ILE CA C 13 65.7 0.2 . 1 . . . . . . . . 6244 1 122 . 1 1 11 11 ILE CB C 13 38.9 0.2 . 1 . . . . . . . . 6244 1 123 . 1 1 11 11 ILE CG1 C 13 28.8 0.2 . 1 . . . . . . . . 6244 1 124 . 1 1 11 11 ILE CG2 C 13 17.3 0.2 . 1 . . . . . . . . 6244 1 125 . 1 1 11 11 ILE CD1 C 13 14.1 0.2 . 1 . . . . . . . . 6244 1 126 . 1 1 11 11 ILE N N 15 117.4 0.1 . 1 . . . . . . . . 6244 1 127 . 1 1 12 12 SER H H 1 7.94 0.02 . 1 . . . . . . . . 6244 1 128 . 1 1 12 12 SER HA H 1 3.98 0.02 . 1 . . . . . . . . 6244 1 129 . 1 1 12 12 SER HB2 H 1 3.67 0.02 . 2 . . . . . . . . 6244 1 130 . 1 1 12 12 SER HB3 H 1 3.59 0.02 . 2 . . . . . . . . 6244 1 131 . 1 1 12 12 SER C C 13 178.6 0.2 . 1 . . . . . . . . 6244 1 132 . 1 1 12 12 SER CA C 13 61.6 0.2 . 1 . . . . . . . . 6244 1 133 . 1 1 12 12 SER CB C 13 62.6 0.2 . 1 . . . . . . . . 6244 1 134 . 1 1 12 12 SER N N 15 113.6 0.1 . 1 . . . . . . . . 6244 1 135 . 1 1 13 13 PHE H H 1 8.16 0.02 . 1 . . . . . . . . 6244 1 136 . 1 1 13 13 PHE HA H 1 4.54 0.02 . 1 . . . . . . . . 6244 1 137 . 1 1 13 13 PHE HB2 H 1 3.05 0.02 . 2 . . . . . . . . 6244 1 138 . 1 1 13 13 PHE HB3 H 1 2.78 0.02 . 2 . . . . . . . . 6244 1 139 . 1 1 13 13 PHE HD1 H 1 7.03 0.02 . 4 . . . . . . . . 6244 1 140 . 1 1 13 13 PHE C C 13 178.5 0.2 . 1 . . . . . . . . 6244 1 141 . 1 1 13 13 PHE CA C 13 60.0 0.2 . 1 . . . . . . . . 6244 1 142 . 1 1 13 13 PHE CB C 13 39.0 0.2 . 1 . . . . . . . . 6244 1 143 . 1 1 13 13 PHE N N 15 117.9 0.1 . 1 . . . . . . . . 6244 1 144 . 1 1 14 14 PHE H H 1 8.50 0.02 . 1 . . . . . . . . 6244 1 145 . 1 1 14 14 PHE HA H 1 3.63 0.02 . 1 . . . . . . . . 6244 1 146 . 1 1 14 14 PHE HB2 H 1 2.80 0.02 . 2 . . . . . . . . 6244 1 147 . 1 1 14 14 PHE HB3 H 1 2.64 0.02 . 2 . . . . . . . . 6244 1 148 . 1 1 14 14 PHE HD1 H 1 6.69 0.02 . 4 . . . . . . . . 6244 1 149 . 1 1 14 14 PHE C C 13 177.7 0.2 . 1 . . . . . . . . 6244 1 150 . 1 1 14 14 PHE CA C 13 63.6 0.2 . 1 . . . . . . . . 6244 1 151 . 1 1 14 14 PHE CB C 13 39.0 0.2 . 1 . . . . . . . . 6244 1 152 . 1 1 14 14 PHE N N 15 120.8 0.1 . 1 . . . . . . . . 6244 1 153 . 1 1 15 15 ASN H H 1 8.43 0.02 . 1 . . . . . . . . 6244 1 154 . 1 1 15 15 ASN HA H 1 4.66 0.02 . 1 . . . . . . . . 6244 1 155 . 1 1 15 15 ASN HB2 H 1 2.78 0.02 . 2 . . . . . . . . 6244 1 156 . 1 1 15 15 ASN HB3 H 1 2.64 0.02 . 2 . . . . . . . . 6244 1 157 . 1 1 15 15 ASN C C 13 177.1 0.2 . 1 . . . . . . . . 6244 1 158 . 1 1 15 15 ASN CA C 13 54.1 0.2 . 1 . . . . . . . . 6244 1 159 . 1 1 15 15 ASN CB C 13 38.3 0.2 . 1 . . . . . . . . 6244 1 160 . 1 1 15 15 ASN N N 15 116.5 0.1 . 1 . . . . . . . . 6244 1 161 . 1 1 16 16 GLN H H 1 7.26 0.02 . 1 . . . . . . . . 6244 1 162 . 1 1 16 16 GLN HA H 1 4.00 0.02 . 1 . . . . . . . . 6244 1 163 . 1 1 16 16 GLN HB2 H 1 2.27 0.02 . 2 . . . . . . . . 6244 1 164 . 1 1 16 16 GLN HB3 H 1 2.02 0.02 . 2 . . . . . . . . 6244 1 165 . 1 1 16 16 GLN HG2 H 1 2.62 0.02 . 2 . . . . . . . . 6244 1 166 . 1 1 16 16 GLN HG3 H 1 2.25 0.02 . 2 . . . . . . . . 6244 1 167 . 1 1 16 16 GLN C C 13 176.2 0.2 . 1 . . . . . . . . 6244 1 168 . 1 1 16 16 GLN CA C 13 57.3 0.2 . 1 . . . . . . . . 6244 1 169 . 1 1 16 16 GLN CB C 13 29.2 0.2 . 1 . . . . . . . . 6244 1 170 . 1 1 16 16 GLN CG C 13 34.2 0.2 . 1 . . . . . . . . 6244 1 171 . 1 1 16 16 GLN N N 15 116.4 0.1 . 1 . . . . . . . . 6244 1 172 . 1 1 17 17 ALA H H 1 7.50 0.02 . 1 . . . . . . . . 6244 1 173 . 1 1 17 17 ALA HA H 1 4.12 0.02 . 1 . . . . . . . . 6244 1 174 . 1 1 17 17 ALA HB1 H 1 0.88 0.02 . 1 . . . . . . . . 6244 1 175 . 1 1 17 17 ALA HB2 H 1 0.88 0.02 . 1 . . . . . . . . 6244 1 176 . 1 1 17 17 ALA HB3 H 1 0.88 0.02 . 1 . . . . . . . . 6244 1 177 . 1 1 17 17 ALA C C 13 176.7 0.2 . 1 . . . . . . . . 6244 1 178 . 1 1 17 17 ALA CA C 13 53.2 0.2 . 1 . . . . . . . . 6244 1 179 . 1 1 17 17 ALA CB C 13 20.0 0.2 . 1 . . . . . . . . 6244 1 180 . 1 1 17 17 ALA N N 15 121.8 0.1 . 1 . . . . . . . . 6244 1 181 . 1 1 18 18 CYS H H 1 7.38 0.02 . 1 . . . . . . . . 6244 1 182 . 1 1 18 18 CYS HA H 1 4.40 0.02 . 1 . . . . . . . . 6244 1 183 . 1 1 18 18 CYS HB2 H 1 2.25 0.02 . 2 . . . . . . . . 6244 1 184 . 1 1 18 18 CYS HB3 H 1 2.06 0.02 . 2 . . . . . . . . 6244 1 185 . 1 1 18 18 CYS C C 13 173.7 0.2 . 1 . . . . . . . . 6244 1 186 . 1 1 18 18 CYS CA C 13 57.3 0.2 . 1 . . . . . . . . 6244 1 187 . 1 1 18 18 CYS CB C 13 31.5 0.2 . 1 . . . . . . . . 6244 1 188 . 1 1 18 18 CYS N N 15 114.2 0.1 . 1 . . . . . . . . 6244 1 189 . 1 1 19 19 SER H H 1 9.12 0.02 . 1 . . . . . . . . 6244 1 190 . 1 1 19 19 SER HA H 1 4.66 0.02 . 1 . . . . . . . . 6244 1 191 . 1 1 19 19 SER HB2 H 1 3.88 0.02 . 2 . . . . . . . . 6244 1 192 . 1 1 19 19 SER HB3 H 1 3.82 0.02 . 2 . . . . . . . . 6244 1 193 . 1 1 19 19 SER C C 13 174.6 0.2 . 1 . . . . . . . . 6244 1 194 . 1 1 19 19 SER CA C 13 59.4 0.2 . 1 . . . . . . . . 6244 1 195 . 1 1 19 19 SER CB C 13 64.5 0.2 . 1 . . . . . . . . 6244 1 196 . 1 1 19 19 SER N N 15 117.4 0.1 . 1 . . . . . . . . 6244 1 197 . 1 1 20 20 THR H H 1 7.34 0.02 . 1 . . . . . . . . 6244 1 198 . 1 1 20 20 THR HA H 1 4.77 0.02 . 1 . . . . . . . . 6244 1 199 . 1 1 20 20 THR HB H 1 4.57 0.02 . 1 . . . . . . . . 6244 1 200 . 1 1 20 20 THR HG21 H 1 1.13 0.02 . 1 . . . . . . . . 6244 1 201 . 1 1 20 20 THR HG22 H 1 1.13 0.02 . 1 . . . . . . . . 6244 1 202 . 1 1 20 20 THR HG23 H 1 1.13 0.02 . 1 . . . . . . . . 6244 1 203 . 1 1 20 20 THR C C 13 174.3 0.2 . 1 . . . . . . . . 6244 1 204 . 1 1 20 20 THR CA C 13 59.1 0.2 . 1 . . . . . . . . 6244 1 205 . 1 1 20 20 THR CB C 13 72.4 0.2 . 1 . . . . . . . . 6244 1 206 . 1 1 20 20 THR CG2 C 13 21.4 0.2 . 1 . . . . . . . . 6244 1 207 . 1 1 20 20 THR N N 15 110.6 0.1 . 1 . . . . . . . . 6244 1 208 . 1 1 21 21 HIS H H 1 8.93 0.02 . 1 . . . . . . . . 6244 1 209 . 1 1 21 21 HIS HA H 1 4.29 0.02 . 1 . . . . . . . . 6244 1 210 . 1 1 21 21 HIS HB2 H 1 3.00 0.02 . 2 . . . . . . . . 6244 1 211 . 1 1 21 21 HIS HB3 H 1 3.20 0.02 . 2 . . . . . . . . 6244 1 212 . 1 1 21 21 HIS C C 13 176.7 0.2 . 1 . . . . . . . . 6244 1 213 . 1 1 21 21 HIS CA C 13 60.1 0.2 . 1 . . . . . . . . 6244 1 214 . 1 1 21 21 HIS CB C 13 31.6 0.2 . 1 . . . . . . . . 6244 1 215 . 1 1 21 21 HIS N N 15 121.9 0.1 . 1 . . . . . . . . 6244 1 216 . 1 1 22 22 GLN H H 1 8.62 0.02 . 1 . . . . . . . . 6244 1 217 . 1 1 22 22 GLN HA H 1 3.47 0.02 . 1 . . . . . . . . 6244 1 218 . 1 1 22 22 GLN HB2 H 1 1.81 0.02 . 2 . . . . . . . . 6244 1 219 . 1 1 22 22 GLN HB3 H 1 2.17 0.02 . 2 . . . . . . . . 6244 1 220 . 1 1 22 22 GLN HG2 H 1 2.27 0.02 . 2 . . . . . . . . 6244 1 221 . 1 1 22 22 GLN HG3 H 1 2.36 0.02 . 2 . . . . . . . . 6244 1 222 . 1 1 22 22 GLN C C 13 178.1 0.2 . 1 . . . . . . . . 6244 1 223 . 1 1 22 22 GLN CA C 13 59.1 0.2 . 1 . . . . . . . . 6244 1 224 . 1 1 22 22 GLN CB C 13 28.6 0.2 . 1 . . . . . . . . 6244 1 225 . 1 1 22 22 GLN CG C 13 33.6 0.2 . 1 . . . . . . . . 6244 1 226 . 1 1 22 22 GLN N N 15 117.5 0.1 . 1 . . . . . . . . 6244 1 227 . 1 1 23 23 GLU H H 1 7.57 0.02 . 1 . . . . . . . . 6244 1 228 . 1 1 23 23 GLU HA H 1 4.11 0.02 . 1 . . . . . . . . 6244 1 229 . 1 1 23 23 GLU HB2 H 1 2.08 0.02 . 2 . . . . . . . . 6244 1 230 . 1 1 23 23 GLU HG2 H 1 2.37 0.02 . 2 . . . . . . . . 6244 1 231 . 1 1 23 23 GLU C C 13 180.4 0.2 . 1 . . . . . . . . 6244 1 232 . 1 1 23 23 GLU CA C 13 59.1 0.2 . 1 . . . . . . . . 6244 1 233 . 1 1 23 23 GLU CB C 13 30.6 0.2 . 1 . . . . . . . . 6244 1 234 . 1 1 23 23 GLU CG C 13 37.4 0.2 . 1 . . . . . . . . 6244 1 235 . 1 1 23 23 GLU N N 15 116.0 0.1 . 1 . . . . . . . . 6244 1 236 . 1 1 24 24 ARG H H 1 8.10 0.02 . 1 . . . . . . . . 6244 1 237 . 1 1 24 24 ARG HA H 1 4.17 0.02 . 1 . . . . . . . . 6244 1 238 . 1 1 24 24 ARG C C 13 177.9 0.2 . 1 . . . . . . . . 6244 1 239 . 1 1 24 24 ARG CA C 13 61.7 0.2 . 1 . . . . . . . . 6244 1 240 . 1 1 24 24 ARG CB C 13 31.3 0.2 . 1 . . . . . . . . 6244 1 241 . 1 1 24 24 ARG N N 15 121.3 0.1 . 1 . . . . . . . . 6244 1 242 . 1 1 25 25 LEU H H 1 8.07 0.02 . 1 . . . . . . . . 6244 1 243 . 1 1 25 25 LEU HA H 1 3.98 0.02 . 1 . . . . . . . . 6244 1 244 . 1 1 25 25 LEU HB2 H 1 1.88 0.02 . 2 . . . . . . . . 6244 1 245 . 1 1 25 25 LEU HB3 H 1 1.27 0.02 . 2 . . . . . . . . 6244 1 246 . 1 1 25 25 LEU HG H 1 1.25 0.02 . 1 . . . . . . . . 6244 1 247 . 1 1 25 25 LEU HD11 H 1 0.68 0.02 . 1 . . . . . . . . 6244 1 248 . 1 1 25 25 LEU HD12 H 1 0.68 0.02 . 1 . . . . . . . . 6244 1 249 . 1 1 25 25 LEU HD13 H 1 0.68 0.02 . 1 . . . . . . . . 6244 1 250 . 1 1 25 25 LEU HD21 H 1 0.75 0.02 . 1 . . . . . . . . 6244 1 251 . 1 1 25 25 LEU HD22 H 1 0.75 0.02 . 1 . . . . . . . . 6244 1 252 . 1 1 25 25 LEU HD23 H 1 0.75 0.02 . 1 . . . . . . . . 6244 1 253 . 1 1 25 25 LEU C C 13 179.7 0.2 . 1 . . . . . . . . 6244 1 254 . 1 1 25 25 LEU CA C 13 58.8 0.2 . 1 . . . . . . . . 6244 1 255 . 1 1 25 25 LEU CB C 13 40.6 0.2 . 1 . . . . . . . . 6244 1 256 . 1 1 25 25 LEU CG C 13 25.9 0.2 . 1 . . . . . . . . 6244 1 257 . 1 1 25 25 LEU CD1 C 13 25.6 0.2 . 1 . . . . . . . . 6244 1 258 . 1 1 25 25 LEU CD2 C 13 21.8 0.2 . 1 . . . . . . . . 6244 1 259 . 1 1 25 25 LEU N N 15 118.3 0.1 . 1 . . . . . . . . 6244 1 260 . 1 1 26 26 ASP H H 1 8.47 0.02 . 1 . . . . . . . . 6244 1 261 . 1 1 26 26 ASP HA H 1 4.29 0.02 . 1 . . . . . . . . 6244 1 262 . 1 1 26 26 ASP HB2 H 1 2.73 0.02 . 2 . . . . . . . . 6244 1 263 . 1 1 26 26 ASP C C 13 178.8 0.2 . 1 . . . . . . . . 6244 1 264 . 1 1 26 26 ASP CA C 13 57.7 0.2 . 1 . . . . . . . . 6244 1 265 . 1 1 26 26 ASP CB C 13 39.9 0.2 . 1 . . . . . . . . 6244 1 266 . 1 1 26 26 ASP N N 15 119.8 0.1 . 1 . . . . . . . . 6244 1 267 . 1 1 27 27 PHE H H 1 8.45 0.02 . 1 . . . . . . . . 6244 1 268 . 1 1 27 27 PHE HA H 1 4.27 0.02 . 1 . . . . . . . . 6244 1 269 . 1 1 27 27 PHE HB2 H 1 3.71 0.02 . 2 . . . . . . . . 6244 1 270 . 1 1 27 27 PHE HB3 H 1 3.41 0.02 . 2 . . . . . . . . 6244 1 271 . 1 1 27 27 PHE HD1 H 1 7.13 0.02 . 4 . . . . . . . . 6244 1 272 . 1 1 27 27 PHE C C 13 179.0 0.2 . 1 . . . . . . . . 6244 1 273 . 1 1 27 27 PHE CA C 13 62.1 0.2 . 1 . . . . . . . . 6244 1 274 . 1 1 27 27 PHE CB C 13 39.7 0.2 . 1 . . . . . . . . 6244 1 275 . 1 1 27 27 PHE N N 15 123.4 0.1 . 1 . . . . . . . . 6244 1 276 . 1 1 28 28 ILE H H 1 8.53 0.02 . 1 . . . . . . . . 6244 1 277 . 1 1 28 28 ILE HA H 1 3.63 0.02 . 1 . . . . . . . . 6244 1 278 . 1 1 28 28 ILE HB H 1 2.31 0.02 . 1 . . . . . . . . 6244 1 279 . 1 1 28 28 ILE HG13 H 1 2.76 0.02 . 2 . . . . . . . . 6244 1 280 . 1 1 28 28 ILE HG21 H 1 0.99 0.02 . 1 . . . . . . . . 6244 1 281 . 1 1 28 28 ILE HG22 H 1 0.99 0.02 . 1 . . . . . . . . 6244 1 282 . 1 1 28 28 ILE HG23 H 1 0.99 0.02 . 1 . . . . . . . . 6244 1 283 . 1 1 28 28 ILE HD11 H 1 1.19 0.02 . 1 . . . . . . . . 6244 1 284 . 1 1 28 28 ILE HD12 H 1 1.19 0.02 . 1 . . . . . . . . 6244 1 285 . 1 1 28 28 ILE HD13 H 1 1.19 0.02 . 1 . . . . . . . . 6244 1 286 . 1 1 28 28 ILE C C 13 177.5 0.2 . 1 . . . . . . . . 6244 1 287 . 1 1 28 28 ILE CA C 13 66.9 0.2 . 1 . . . . . . . . 6244 1 288 . 1 1 28 28 ILE CB C 13 39.0 0.2 . 1 . . . . . . . . 6244 1 289 . 1 1 28 28 ILE CG1 C 13 30.8 0.2 . 2 . . . . . . . . 6244 1 290 . 1 1 28 28 ILE CG2 C 13 16.9 0.2 . 1 . . . . . . . . 6244 1 291 . 1 1 28 28 ILE CD1 C 13 14.5 0.2 . 1 . . . . . . . . 6244 1 292 . 1 1 28 28 ILE N N 15 124.7 0.1 . 1 . . . . . . . . 6244 1 293 . 1 1 29 29 CYS H H 1 7.74 0.02 . 1 . . . . . . . . 6244 1 294 . 1 1 29 29 CYS HA H 1 3.98 0.02 . 1 . . . . . . . . 6244 1 295 . 1 1 29 29 CYS HB2 H 1 3.06 0.02 . 2 . . . . . . . . 6244 1 296 . 1 1 29 29 CYS HB3 H 1 2.93 0.02 . 2 . . . . . . . . 6244 1 297 . 1 1 29 29 CYS C C 13 177.0 0.2 . 1 . . . . . . . . 6244 1 298 . 1 1 29 29 CYS CA C 13 64.0 0.2 . 1 . . . . . . . . 6244 1 299 . 1 1 29 29 CYS CB C 13 27.5 0.2 . 1 . . . . . . . . 6244 1 300 . 1 1 29 29 CYS N N 15 116.2 0.1 . 1 . . . . . . . . 6244 1 301 . 1 1 30 30 SER H H 1 8.68 0.02 . 1 . . . . . . . . 6244 1 302 . 1 1 30 30 SER HA H 1 4.19 0.02 . 1 . . . . . . . . 6244 1 303 . 1 1 30 30 SER HB2 H 1 3.79 0.02 . 2 . . . . . . . . 6244 1 304 . 1 1 30 30 SER C C 13 178.5 0.2 . 1 . . . . . . . . 6244 1 305 . 1 1 30 30 SER CA C 13 61.2 0.2 . 1 . . . . . . . . 6244 1 306 . 1 1 30 30 SER CB C 13 63.6 0.2 . 1 . . . . . . . . 6244 1 307 . 1 1 30 30 SER N N 15 115.4 0.1 . 1 . . . . . . . . 6244 1 308 . 1 1 31 31 THR H H 1 8.46 0.02 . 1 . . . . . . . . 6244 1 309 . 1 1 31 31 THR HA H 1 3.67 0.02 . 1 . . . . . . . . 6244 1 310 . 1 1 31 31 THR HB H 1 4.15 0.02 . 1 . . . . . . . . 6244 1 311 . 1 1 31 31 THR HG21 H 1 0.43 0.02 . 1 . . . . . . . . 6244 1 312 . 1 1 31 31 THR HG22 H 1 0.43 0.02 . 1 . . . . . . . . 6244 1 313 . 1 1 31 31 THR HG23 H 1 0.43 0.02 . 1 . . . . . . . . 6244 1 314 . 1 1 31 31 THR C C 13 174.2 0.2 . 1 . . . . . . . . 6244 1 315 . 1 1 31 31 THR CA C 13 68.4 0.2 . 1 . . . . . . . . 6244 1 316 . 1 1 31 31 THR CB C 13 68.2 0.2 . 1 . . . . . . . . 6244 1 317 . 1 1 31 31 THR CG2 C 13 22.7 0.2 . 1 . . . . . . . . 6244 1 318 . 1 1 31 31 THR N N 15 121.0 0.1 . 1 . . . . . . . . 6244 1 319 . 1 1 32 32 ARG H H 1 7.64 0.02 . 1 . . . . . . . . 6244 1 320 . 1 1 32 32 ARG HA H 1 3.39 0.02 . 1 . . . . . . . . 6244 1 321 . 1 1 32 32 ARG HB2 H 1 1.75 0.02 . 2 . . . . . . . . 6244 1 322 . 1 1 32 32 ARG HB3 H 1 1.97 0.02 . 2 . . . . . . . . 6244 1 323 . 1 1 32 32 ARG HG2 H 1 1.37 0.02 . 2 . . . . . . . . 6244 1 324 . 1 1 32 32 ARG HG3 H 1 1.55 0.02 . 2 . . . . . . . . 6244 1 325 . 1 1 32 32 ARG HD2 H 1 2.88 0.02 . 2 . . . . . . . . 6244 1 326 . 1 1 32 32 ARG C C 13 178.9 0.2 . 1 . . . . . . . . 6244 1 327 . 1 1 32 32 ARG CA C 13 59.5 0.2 . 1 . . . . . . . . 6244 1 328 . 1 1 32 32 ARG CB C 13 31.0 0.2 . 1 . . . . . . . . 6244 1 329 . 1 1 32 32 ARG CG C 13 27.7 0.2 . 1 . . . . . . . . 6244 1 330 . 1 1 32 32 ARG CD C 13 43.9 0.2 . 1 . . . . . . . . 6244 1 331 . 1 1 32 32 ARG N N 15 117.9 0.1 . 1 . . . . . . . . 6244 1 332 . 1 1 33 33 GLU H H 1 7.30 0.02 . 1 . . . . . . . . 6244 1 333 . 1 1 33 33 GLU HA H 1 4.31 0.02 . 1 . . . . . . . . 6244 1 334 . 1 1 33 33 GLU HB2 H 1 2.05 0.02 . 2 . . . . . . . . 6244 1 335 . 1 1 33 33 GLU HG2 H 1 2.30 0.02 . 2 . . . . . . . . 6244 1 336 . 1 1 33 33 GLU HG3 H 1 2.47 0.02 . 2 . . . . . . . . 6244 1 337 . 1 1 33 33 GLU C C 13 176.9 0.2 . 1 . . . . . . . . 6244 1 338 . 1 1 33 33 GLU CA C 13 56.3 0.2 . 1 . . . . . . . . 6244 1 339 . 1 1 33 33 GLU CB C 13 31.0 0.2 . 1 . . . . . . . . 6244 1 340 . 1 1 33 33 GLU CG C 13 35.8 0.2 . 1 . . . . . . . . 6244 1 341 . 1 1 33 33 GLU N N 15 114.5 0.1 . 1 . . . . . . . . 6244 1 342 . 1 1 34 34 SER H H 1 7.55 0.02 . 1 . . . . . . . . 6244 1 343 . 1 1 34 34 SER HA H 1 4.58 0.02 . 1 . . . . . . . . 6244 1 344 . 1 1 34 34 SER HB2 H 1 3.92 0.02 . 2 . . . . . . . . 6244 1 345 . 1 1 34 34 SER HB3 H 1 4.02 0.02 . 2 . . . . . . . . 6244 1 346 . 1 1 34 34 SER C C 13 174.0 0.2 . 1 . . . . . . . . 6244 1 347 . 1 1 34 34 SER CA C 13 60.2 0.2 . 1 . . . . . . . . 6244 1 348 . 1 1 34 34 SER CB C 13 64.7 0.2 . 1 . . . . . . . . 6244 1 349 . 1 1 34 34 SER N N 15 117.4 0.1 . 1 . . . . . . . . 6244 1 350 . 1 1 35 35 ASP H H 1 8.91 0.02 . 1 . . . . . . . . 6244 1 351 . 1 1 35 35 ASP HA H 1 4.58 0.02 . 1 . . . . . . . . 6244 1 352 . 1 1 35 35 ASP C C 13 176.5 0.2 . 1 . . . . . . . . 6244 1 353 . 1 1 35 35 ASP CA C 13 55.4 0.2 . 1 . . . . . . . . 6244 1 354 . 1 1 35 35 ASP CB C 13 41.5 0.2 . 1 . . . . . . . . 6244 1 355 . 1 1 35 35 ASP N N 15 123.0 0.1 . 1 . . . . . . . . 6244 1 356 . 1 1 36 36 THR H H 1 7.48 0.02 . 1 . . . . . . . . 6244 1 357 . 1 1 36 36 THR HA H 1 4.55 0.02 . 1 . . . . . . . . 6244 1 358 . 1 1 36 36 THR HB H 1 3.98 0.02 . 1 . . . . . . . . 6244 1 359 . 1 1 36 36 THR HG21 H 1 0.99 0.02 . 1 . . . . . . . . 6244 1 360 . 1 1 36 36 THR HG22 H 1 0.99 0.02 . 1 . . . . . . . . 6244 1 361 . 1 1 36 36 THR HG23 H 1 0.99 0.02 . 1 . . . . . . . . 6244 1 362 . 1 1 36 36 THR C C 13 175.2 0.2 . 1 . . . . . . . . 6244 1 363 . 1 1 36 36 THR CA C 13 59.7 0.2 . 1 . . . . . . . . 6244 1 364 . 1 1 36 36 THR CB C 13 70.9 0.2 . 1 . . . . . . . . 6244 1 365 . 1 1 36 36 THR CG2 C 13 21.0 0.2 . 1 . . . . . . . . 6244 1 366 . 1 1 36 36 THR N N 15 110.9 0.1 . 1 . . . . . . . . 6244 1 367 . 1 1 37 37 PHE H H 1 8.40 0.02 . 1 . . . . . . . . 6244 1 368 . 1 1 37 37 PHE HA H 1 3.10 0.02 . 1 . . . . . . . . 6244 1 369 . 1 1 37 37 PHE HB2 H 1 2.72 0.02 . 2 . . . . . . . . 6244 1 370 . 1 1 37 37 PHE HB3 H 1 2.11 0.02 . 2 . . . . . . . . 6244 1 371 . 1 1 37 37 PHE HD1 H 1 6.65 0.02 . 4 . . . . . . . . 6244 1 372 . 1 1 37 37 PHE HD2 H 1 7.06 0.02 . 4 . . . . . . . . 6244 1 373 . 1 1 37 37 PHE C C 13 174.8 0.2 . 1 . . . . . . . . 6244 1 374 . 1 1 37 37 PHE CA C 13 59.7 0.2 . 1 . . . . . . . . 6244 1 375 . 1 1 37 37 PHE CB C 13 38.3 0.2 . 1 . . . . . . . . 6244 1 376 . 1 1 37 37 PHE N N 15 124.8 0.1 . 1 . . . . . . . . 6244 1 377 . 1 1 38 38 SER H H 1 6.38 0.02 . 1 . . . . . . . . 6244 1 378 . 1 1 38 38 SER HA H 1 3.67 0.02 . 1 . . . . . . . . 6244 1 379 . 1 1 38 38 SER HB2 H 1 3.61 0.02 . 2 . . . . . . . . 6244 1 380 . 1 1 38 38 SER HB3 H 1 2.81 0.02 . 2 . . . . . . . . 6244 1 381 . 1 1 38 38 SER C C 13 174.8 0.2 . 1 . . . . . . . . 6244 1 382 . 1 1 38 38 SER CA C 13 58.5 0.2 . 1 . . . . . . . . 6244 1 383 . 1 1 38 38 SER CB C 13 61.6 0.2 . 1 . . . . . . . . 6244 1 384 . 1 1 38 38 SER N N 15 111.7 0.1 . 1 . . . . . . . . 6244 1 385 . 1 1 39 39 SER H H 1 7.45 0.02 . 1 . . . . . . . . 6244 1 386 . 1 1 39 39 SER HA H 1 4.35 0.02 . 1 . . . . . . . . 6244 1 387 . 1 1 39 39 SER HB2 H 1 3.92 0.02 . 2 . . . . . . . . 6244 1 388 . 1 1 39 39 SER HB3 H 1 3.88 0.02 . 2 . . . . . . . . 6244 1 389 . 1 1 39 39 SER C C 13 173.6 0.2 . 1 . . . . . . . . 6244 1 390 . 1 1 39 39 SER CA C 13 58.8 0.2 . 1 . . . . . . . . 6244 1 391 . 1 1 39 39 SER CB C 13 63.2 0.2 . 1 . . . . . . . . 6244 1 392 . 1 1 39 39 SER N N 15 116.8 0.1 . 1 . . . . . . . . 6244 1 393 . 1 1 40 40 VAL H H 1 7.12 0.02 . 1 . . . . . . . . 6244 1 394 . 1 1 40 40 VAL HA H 1 3.79 0.02 . 1 . . . . . . . . 6244 1 395 . 1 1 40 40 VAL HB H 1 2.11 0.02 . 1 . . . . . . . . 6244 1 396 . 1 1 40 40 VAL HG11 H 1 0.87 0.02 . 1 . . . . . . . . 6244 1 397 . 1 1 40 40 VAL HG12 H 1 0.87 0.02 . 1 . . . . . . . . 6244 1 398 . 1 1 40 40 VAL HG13 H 1 0.87 0.02 . 1 . . . . . . . . 6244 1 399 . 1 1 40 40 VAL HG21 H 1 1.16 0.02 . 1 . . . . . . . . 6244 1 400 . 1 1 40 40 VAL HG22 H 1 1.16 0.02 . 1 . . . . . . . . 6244 1 401 . 1 1 40 40 VAL HG23 H 1 1.16 0.02 . 1 . . . . . . . . 6244 1 402 . 1 1 40 40 VAL C C 13 176.2 0.2 . 1 . . . . . . . . 6244 1 403 . 1 1 40 40 VAL CA C 13 63.3 0.2 . 1 . . . . . . . . 6244 1 404 . 1 1 40 40 VAL CB C 13 32.1 0.2 . 1 . . . . . . . . 6244 1 405 . 1 1 40 40 VAL CG1 C 13 21.7 0.2 . 1 . . . . . . . . 6244 1 406 . 1 1 40 40 VAL CG2 C 13 23.0 0.2 . 1 . . . . . . . . 6244 1 407 . 1 1 40 40 VAL N N 15 121.7 0.1 . 1 . . . . . . . . 6244 1 408 . 1 1 41 41 ASP H H 1 8.21 0.02 . 1 . . . . . . . . 6244 1 409 . 1 1 41 41 ASP HA H 1 4.59 0.02 . 1 . . . . . . . . 6244 1 410 . 1 1 41 41 ASP HB2 H 1 2.79 0.02 . 2 . . . . . . . . 6244 1 411 . 1 1 41 41 ASP HB3 H 1 2.42 0.02 . 2 . . . . . . . . 6244 1 412 . 1 1 41 41 ASP C C 13 174.6 0.2 . 1 . . . . . . . . 6244 1 413 . 1 1 41 41 ASP CA C 13 53.7 0.2 . 1 . . . . . . . . 6244 1 414 . 1 1 41 41 ASP CB C 13 39.5 0.2 . 1 . . . . . . . . 6244 1 415 . 1 1 41 41 ASP N N 15 126.8 0.1 . 1 . . . . . . . . 6244 1 416 . 1 1 42 42 VAL H H 1 7.83 0.02 . 1 . . . . . . . . 6244 1 417 . 1 1 42 42 VAL HA H 1 4.67 0.02 . 1 . . . . . . . . 6244 1 418 . 1 1 42 42 VAL HB H 1 2.12 0.02 . 1 . . . . . . . . 6244 1 419 . 1 1 42 42 VAL HG11 H 1 0.85 0.02 . 1 . . . . . . . . 6244 1 420 . 1 1 42 42 VAL HG12 H 1 0.85 0.02 . 1 . . . . . . . . 6244 1 421 . 1 1 42 42 VAL HG13 H 1 0.85 0.02 . 1 . . . . . . . . 6244 1 422 . 1 1 42 42 VAL HG21 H 1 0.79 0.02 . 1 . . . . . . . . 6244 1 423 . 1 1 42 42 VAL HG22 H 1 0.79 0.02 . 1 . . . . . . . . 6244 1 424 . 1 1 42 42 VAL HG23 H 1 0.79 0.02 . 1 . . . . . . . . 6244 1 425 . 1 1 42 42 VAL CA C 13 58.7 0.2 . 1 . . . . . . . . 6244 1 426 . 1 1 42 42 VAL CB C 13 34.2 0.2 . 1 . . . . . . . . 6244 1 427 . 1 1 42 42 VAL CG1 C 13 22.7 0.2 . 1 . . . . . . . . 6244 1 428 . 1 1 42 42 VAL CG2 C 13 20.3 0.2 . 1 . . . . . . . . 6244 1 429 . 1 1 42 42 VAL N N 15 120.7 0.1 . 1 . . . . . . . . 6244 1 430 . 1 1 43 43 PRO HA H 1 4.29 0.02 . 1 . . . . . . . . 6244 1 431 . 1 1 43 43 PRO HB2 H 1 2.29 0.02 . 2 . . . . . . . . 6244 1 432 . 1 1 43 43 PRO HB3 H 1 1.69 0.02 . 2 . . . . . . . . 6244 1 433 . 1 1 43 43 PRO HG2 H 1 1.92 0.02 . 2 . . . . . . . . 6244 1 434 . 1 1 43 43 PRO HG3 H 1 2.09 0.02 . 2 . . . . . . . . 6244 1 435 . 1 1 43 43 PRO HD2 H 1 3.75 0.02 . 2 . . . . . . . . 6244 1 436 . 1 1 43 43 PRO HD3 H 1 3.56 0.02 . 2 . . . . . . . . 6244 1 437 . 1 1 43 43 PRO C C 13 176.7 0.2 . 1 . . . . . . . . 6244 1 438 . 1 1 43 43 PRO CA C 13 62.9 0.2 . 1 . . . . . . . . 6244 1 439 . 1 1 43 43 PRO CB C 13 32.0 0.2 . 1 . . . . . . . . 6244 1 440 . 1 1 43 43 PRO CG C 13 28.1 0.2 . 1 . . . . . . . . 6244 1 441 . 1 1 43 43 PRO CD C 13 51.6 0.2 . 1 . . . . . . . . 6244 1 442 . 1 1 44 44 LEU H H 1 7.93 0.02 . 1 . . . . . . . . 6244 1 443 . 1 1 44 44 LEU HA H 1 4.05 0.02 . 1 . . . . . . . . 6244 1 444 . 1 1 44 44 LEU HB2 H 1 1.39 0.02 . 2 . . . . . . . . 6244 1 445 . 1 1 44 44 LEU HB3 H 1 1.71 0.02 . 2 . . . . . . . . 6244 1 446 . 1 1 44 44 LEU HG H 1 1.78 0.02 . 1 . . . . . . . . 6244 1 447 . 1 1 44 44 LEU HD11 H 1 0.89 0.02 . 1 . . . . . . . . 6244 1 448 . 1 1 44 44 LEU HD12 H 1 0.89 0.02 . 1 . . . . . . . . 6244 1 449 . 1 1 44 44 LEU HD13 H 1 0.89 0.02 . 1 . . . . . . . . 6244 1 450 . 1 1 44 44 LEU HD21 H 1 0.82 0.02 . 1 . . . . . . . . 6244 1 451 . 1 1 44 44 LEU HD22 H 1 0.82 0.02 . 1 . . . . . . . . 6244 1 452 . 1 1 44 44 LEU HD23 H 1 0.82 0.02 . 1 . . . . . . . . 6244 1 453 . 1 1 44 44 LEU C C 13 179.3 0.2 . 1 . . . . . . . . 6244 1 454 . 1 1 44 44 LEU CA C 13 56.8 0.2 . 1 . . . . . . . . 6244 1 455 . 1 1 44 44 LEU CB C 13 43.3 0.2 . 1 . . . . . . . . 6244 1 456 . 1 1 44 44 LEU CG C 13 27.2 0.2 . 1 . . . . . . . . 6244 1 457 . 1 1 44 44 LEU CD1 C 13 24.3 0.2 . 1 . . . . . . . . 6244 1 458 . 1 1 44 44 LEU CD2 C 13 23.9 0.2 . 1 . . . . . . . . 6244 1 459 . 1 1 44 44 LEU N N 15 122.8 0.1 . 1 . . . . . . . . 6244 1 460 . 1 1 45 45 GLU H H 1 8.73 0.02 . 1 . . . . . . . . 6244 1 461 . 1 1 45 45 GLU HA H 1 3.90 0.02 . 1 . . . . . . . . 6244 1 462 . 1 1 45 45 GLU HB2 H 1 2.01 0.02 . 2 . . . . . . . . 6244 1 463 . 1 1 45 45 GLU HB3 H 1 1.91 0.02 . 2 . . . . . . . . 6244 1 464 . 1 1 45 45 GLU HG2 H 1 2.18 0.02 . 2 . . . . . . . . 6244 1 465 . 1 1 45 45 GLU CA C 13 61.9 0.2 . 1 . . . . . . . . 6244 1 466 . 1 1 45 45 GLU CB C 13 26.5 0.2 . 1 . . . . . . . . 6244 1 467 . 1 1 45 45 GLU CG C 13 36.1 0.2 . 1 . . . . . . . . 6244 1 468 . 1 1 45 45 GLU N N 15 120.3 0.1 . 1 . . . . . . . . 6244 1 469 . 1 1 46 46 PRO HA H 1 4.05 0.02 . 1 . . . . . . . . 6244 1 470 . 1 1 46 46 PRO HB2 H 1 2.51 0.02 . 2 . . . . . . . . 6244 1 471 . 1 1 46 46 PRO HB3 H 1 1.42 0.02 . 2 . . . . . . . . 6244 1 472 . 1 1 46 46 PRO HG2 H 1 1.69 0.02 . 2 . . . . . . . . 6244 1 473 . 1 1 46 46 PRO HG3 H 1 1.61 0.02 . 2 . . . . . . . . 6244 1 474 . 1 1 46 46 PRO HD2 H 1 3.53 0.02 . 2 . . . . . . . . 6244 1 475 . 1 1 46 46 PRO HD3 H 1 3.48 0.02 . 2 . . . . . . . . 6244 1 476 . 1 1 46 46 PRO C C 13 178.5 0.2 . 1 . . . . . . . . 6244 1 477 . 1 1 46 46 PRO CA C 13 65.1 0.2 . 1 . . . . . . . . 6244 1 478 . 1 1 46 46 PRO CB C 13 31.8 0.2 . 1 . . . . . . . . 6244 1 479 . 1 1 46 46 PRO CG C 13 28.8 0.2 . 1 . . . . . . . . 6244 1 480 . 1 1 46 46 PRO CD C 13 50.0 0.2 . 1 . . . . . . . . 6244 1 481 . 1 1 47 47 ILE H H 1 6.17 0.02 . 1 . . . . . . . . 6244 1 482 . 1 1 47 47 ILE HA H 1 3.44 0.02 . 1 . . . . . . . . 6244 1 483 . 1 1 47 47 ILE HB H 1 2.07 0.02 . 1 . . . . . . . . 6244 1 484 . 1 1 47 47 ILE HG12 H 1 1.04 0.02 . 2 . . . . . . . . 6244 1 485 . 1 1 47 47 ILE HG13 H 1 1.49 0.02 . 2 . . . . . . . . 6244 1 486 . 1 1 47 47 ILE HG21 H 1 0.58 0.02 . 1 . . . . . . . . 6244 1 487 . 1 1 47 47 ILE HG22 H 1 0.58 0.02 . 1 . . . . . . . . 6244 1 488 . 1 1 47 47 ILE HG23 H 1 0.58 0.02 . 1 . . . . . . . . 6244 1 489 . 1 1 47 47 ILE HD11 H 1 0.23 0.02 . 1 . . . . . . . . 6244 1 490 . 1 1 47 47 ILE HD12 H 1 0.23 0.02 . 1 . . . . . . . . 6244 1 491 . 1 1 47 47 ILE HD13 H 1 0.23 0.02 . 1 . . . . . . . . 6244 1 492 . 1 1 47 47 ILE C C 13 178.0 0.2 . 1 . . . . . . . . 6244 1 493 . 1 1 47 47 ILE CA C 13 61.3 0.2 . 1 . . . . . . . . 6244 1 494 . 1 1 47 47 ILE CB C 13 35.9 0.2 . 1 . . . . . . . . 6244 1 495 . 1 1 47 47 ILE CG1 C 13 28.1 0.2 . 2 . . . . . . . . 6244 1 496 . 1 1 47 47 ILE CG2 C 13 19.2 0.2 . 1 . . . . . . . . 6244 1 497 . 1 1 47 47 ILE CD1 C 13 8.4 0.2 . 1 . . . . . . . . 6244 1 498 . 1 1 47 47 ILE N N 15 115.2 0.1 . 1 . . . . . . . . 6244 1 499 . 1 1 48 48 LYS H H 1 8.59 0.02 . 1 . . . . . . . . 6244 1 500 . 1 1 48 48 LYS HA H 1 3.59 0.02 . 1 . . . . . . . . 6244 1 501 . 1 1 48 48 LYS HB2 H 1 1.73 0.02 . 2 . . . . . . . . 6244 1 502 . 1 1 48 48 LYS HG2 H 1 1.25 0.02 . 2 . . . . . . . . 6244 1 503 . 1 1 48 48 LYS HD2 H 1 1.53 0.02 . 2 . . . . . . . . 6244 1 504 . 1 1 48 48 LYS HE2 H 1 2.81 0.02 . 2 . . . . . . . . 6244 1 505 . 1 1 48 48 LYS C C 13 179.2 0.2 . 1 . . . . . . . . 6244 1 506 . 1 1 48 48 LYS CA C 13 60.2 0.2 . 1 . . . . . . . . 6244 1 507 . 1 1 48 48 LYS CB C 13 31.7 0.2 . 1 . . . . . . . . 6244 1 508 . 1 1 48 48 LYS CG C 13 25.8 0.2 . 1 . . . . . . . . 6244 1 509 . 1 1 48 48 LYS CD C 13 29.7 0.2 . 1 . . . . . . . . 6244 1 510 . 1 1 48 48 LYS CE C 13 41.8 0.2 . 1 . . . . . . . . 6244 1 511 . 1 1 48 48 LYS N N 15 121.6 0.1 . 1 . . . . . . . . 6244 1 512 . 1 1 49 49 ASN H H 1 7.37 0.02 . 1 . . . . . . . . 6244 1 513 . 1 1 49 49 ASN HA H 1 3.96 0.02 . 1 . . . . . . . . 6244 1 514 . 1 1 49 49 ASN HB2 H 1 1.70 0.02 . 2 . . . . . . . . 6244 1 515 . 1 1 49 49 ASN HB3 H 1 0.99 0.02 . 2 . . . . . . . . 6244 1 516 . 1 1 49 49 ASN C C 13 177.2 0.2 . 1 . . . . . . . . 6244 1 517 . 1 1 49 49 ASN CA C 13 56.0 0.2 . 1 . . . . . . . . 6244 1 518 . 1 1 49 49 ASN CB C 13 36.7 0.2 . 1 . . . . . . . . 6244 1 519 . 1 1 49 49 ASN N N 15 117.8 0.1 . 1 . . . . . . . . 6244 1 520 . 1 1 50 50 ILE H H 1 7.10 0.02 . 1 . . . . . . . . 6244 1 521 . 1 1 50 50 ILE HA H 1 3.38 0.02 . 1 . . . . . . . . 6244 1 522 . 1 1 50 50 ILE HB H 1 1.94 0.02 . 1 . . . . . . . . 6244 1 523 . 1 1 50 50 ILE HG21 H 1 0.69 0.02 . 1 . . . . . . . . 6244 1 524 . 1 1 50 50 ILE HG22 H 1 0.69 0.02 . 1 . . . . . . . . 6244 1 525 . 1 1 50 50 ILE HG23 H 1 0.69 0.02 . 1 . . . . . . . . 6244 1 526 . 1 1 50 50 ILE HD11 H 1 0.83 0.02 . 1 . . . . . . . . 6244 1 527 . 1 1 50 50 ILE HD12 H 1 0.83 0.02 . 1 . . . . . . . . 6244 1 528 . 1 1 50 50 ILE HD13 H 1 0.83 0.02 . 1 . . . . . . . . 6244 1 529 . 1 1 50 50 ILE C C 13 177.1 0.2 . 1 . . . . . . . . 6244 1 530 . 1 1 50 50 ILE CA C 13 65.7 0.2 . 1 . . . . . . . . 6244 1 531 . 1 1 50 50 ILE CB C 13 38.2 0.2 . 1 . . . . . . . . 6244 1 532 . 1 1 50 50 ILE CG2 C 13 17.6 0.2 . 1 . . . . . . . . 6244 1 533 . 1 1 50 50 ILE CD1 C 13 13.3 0.2 . 1 . . . . . . . . 6244 1 534 . 1 1 50 50 ILE N N 15 120.7 0.1 . 1 . . . . . . . . 6244 1 535 . 1 1 51 51 ILE H H 1 7.98 0.02 . 1 . . . . . . . . 6244 1 536 . 1 1 51 51 ILE HA H 1 2.82 0.02 . 1 . . . . . . . . 6244 1 537 . 1 1 51 51 ILE HB H 1 1.32 0.02 . 1 . . . . . . . . 6244 1 538 . 1 1 51 51 ILE HG12 H 1 1.18 0.02 . 2 . . . . . . . . 6244 1 539 . 1 1 51 51 ILE HG13 H 1 0.64 0.02 . 2 . . . . . . . . 6244 1 540 . 1 1 51 51 ILE HG21 H 1 0.04 0.02 . 1 . . . . . . . . 6244 1 541 . 1 1 51 51 ILE HG22 H 1 0.04 0.02 . 1 . . . . . . . . 6244 1 542 . 1 1 51 51 ILE HG23 H 1 0.04 0.02 . 1 . . . . . . . . 6244 1 543 . 1 1 51 51 ILE HD11 H 1 0.13 0.02 . 1 . . . . . . . . 6244 1 544 . 1 1 51 51 ILE HD12 H 1 0.13 0.02 . 1 . . . . . . . . 6244 1 545 . 1 1 51 51 ILE HD13 H 1 0.13 0.02 . 1 . . . . . . . . 6244 1 546 . 1 1 51 51 ILE C C 13 179.3 0.2 . 1 . . . . . . . . 6244 1 547 . 1 1 51 51 ILE CA C 13 65.7 0.2 . 1 . . . . . . . . 6244 1 548 . 1 1 51 51 ILE CB C 13 37.9 0.2 . 1 . . . . . . . . 6244 1 549 . 1 1 51 51 ILE CG1 C 13 29.1 0.2 . 2 . . . . . . . . 6244 1 550 . 1 1 51 51 ILE CG2 C 13 17.0 0.2 . 1 . . . . . . . . 6244 1 551 . 1 1 51 51 ILE CD1 C 13 14.9 0.2 . 1 . . . . . . . . 6244 1 552 . 1 1 51 51 ILE N N 15 120.1 0.1 . 1 . . . . . . . . 6244 1 553 . 1 1 52 52 GLU H H 1 7.77 0.02 . 1 . . . . . . . . 6244 1 554 . 1 1 52 52 GLU HA H 1 3.72 0.02 . 1 . . . . . . . . 6244 1 555 . 1 1 52 52 GLU HB2 H 1 1.92 0.02 . 2 . . . . . . . . 6244 1 556 . 1 1 52 52 GLU HG2 H 1 2.19 0.02 . 2 . . . . . . . . 6244 1 557 . 1 1 52 52 GLU C C 13 179.0 0.2 . 1 . . . . . . . . 6244 1 558 . 1 1 52 52 GLU CA C 13 59.4 0.2 . 1 . . . . . . . . 6244 1 559 . 1 1 52 52 GLU CB C 13 29.8 0.2 . 1 . . . . . . . . 6244 1 560 . 1 1 52 52 GLU CG C 13 35.7 0.2 . 1 . . . . . . . . 6244 1 561 . 1 1 52 52 GLU N N 15 119.1 0.1 . 1 . . . . . . . . 6244 1 562 . 1 1 53 53 ILE H H 1 7.23 0.02 . 1 . . . . . . . . 6244 1 563 . 1 1 53 53 ILE HA H 1 3.87 0.02 . 1 . . . . . . . . 6244 1 564 . 1 1 53 53 ILE HB H 1 2.02 0.02 . 1 . . . . . . . . 6244 1 565 . 1 1 53 53 ILE HG12 H 1 1.69 0.02 . 2 . . . . . . . . 6244 1 566 . 1 1 53 53 ILE HG13 H 1 1.24 0.02 . 2 . . . . . . . . 6244 1 567 . 1 1 53 53 ILE HG21 H 1 0.85 0.02 . 1 . . . . . . . . 6244 1 568 . 1 1 53 53 ILE HG22 H 1 0.85 0.02 . 1 . . . . . . . . 6244 1 569 . 1 1 53 53 ILE HG23 H 1 0.85 0.02 . 1 . . . . . . . . 6244 1 570 . 1 1 53 53 ILE HD11 H 1 0.82 0.02 . 1 . . . . . . . . 6244 1 571 . 1 1 53 53 ILE HD12 H 1 0.82 0.02 . 1 . . . . . . . . 6244 1 572 . 1 1 53 53 ILE HD13 H 1 0.82 0.02 . 1 . . . . . . . . 6244 1 573 . 1 1 53 53 ILE C C 13 176.1 0.2 . 1 . . . . . . . . 6244 1 574 . 1 1 53 53 ILE CA C 13 63.8 0.2 . 1 . . . . . . . . 6244 1 575 . 1 1 53 53 ILE CB C 13 38.2 0.2 . 1 . . . . . . . . 6244 1 576 . 1 1 53 53 ILE CG1 C 13 28.5 0.2 . 1 . . . . . . . . 6244 1 577 . 1 1 53 53 ILE CG2 C 13 17.9 0.2 . 1 . . . . . . . . 6244 1 578 . 1 1 53 53 ILE CD1 C 13 14.1 0.2 . 1 . . . . . . . . 6244 1 579 . 1 1 53 53 ILE N N 15 116.8 0.1 . 1 . . . . . . . . 6244 1 580 . 1 1 54 54 THR H H 1 7.12 0.02 . 1 . . . . . . . . 6244 1 581 . 1 1 54 54 THR HA H 1 3.85 0.02 . 1 . . . . . . . . 6244 1 582 . 1 1 54 54 THR HB H 1 4.13 0.02 . 1 . . . . . . . . 6244 1 583 . 1 1 54 54 THR HG21 H 1 1.04 0.02 . 1 . . . . . . . . 6244 1 584 . 1 1 54 54 THR HG22 H 1 1.04 0.02 . 1 . . . . . . . . 6244 1 585 . 1 1 54 54 THR HG23 H 1 1.04 0.02 . 1 . . . . . . . . 6244 1 586 . 1 1 54 54 THR C C 13 174.5 0.2 . 1 . . . . . . . . 6244 1 587 . 1 1 54 54 THR CA C 13 63.0 0.2 . 1 . . . . . . . . 6244 1 588 . 1 1 54 54 THR CB C 13 68.6 0.2 . 1 . . . . . . . . 6244 1 589 . 1 1 54 54 THR CG2 C 13 23.0 0.2 . 1 . . . . . . . . 6244 1 590 . 1 1 54 54 THR N N 15 106.4 0.1 . 1 . . . . . . . . 6244 1 591 . 1 1 55 55 LYS H H 1 7.08 0.02 . 1 . . . . . . . . 6244 1 592 . 1 1 55 55 LYS HA H 1 3.90 0.02 . 1 . . . . . . . . 6244 1 593 . 1 1 55 55 LYS HB2 H 1 1.81 0.02 . 2 . . . . . . . . 6244 1 594 . 1 1 55 55 LYS HG2 H 1 1.31 0.02 . 2 . . . . . . . . 6244 1 595 . 1 1 55 55 LYS HD2 H 1 1.55 0.02 . 2 . . . . . . . . 6244 1 596 . 1 1 55 55 LYS HD3 H 1 1.46 0.02 . 2 . . . . . . . . 6244 1 597 . 1 1 55 55 LYS HE2 H 1 2.68 0.02 . 2 . . . . . . . . 6244 1 598 . 1 1 55 55 LYS C C 13 176.7 0.2 . 1 . . . . . . . . 6244 1 599 . 1 1 55 55 LYS CA C 13 58.3 0.2 . 1 . . . . . . . . 6244 1 600 . 1 1 55 55 LYS CB C 13 32.9 0.2 . 1 . . . . . . . . 6244 1 601 . 1 1 55 55 LYS CG C 13 25.3 0.2 . 1 . . . . . . . . 6244 1 602 . 1 1 55 55 LYS CD C 13 29.6 0.2 . 1 . . . . . . . . 6244 1 603 . 1 1 55 55 LYS CE C 13 42.5 0.2 . 1 . . . . . . . . 6244 1 604 . 1 1 55 55 LYS N N 15 119.7 0.1 . 1 . . . . . . . . 6244 1 605 . 1 1 56 56 ASP H H 1 7.45 0.02 . 1 . . . . . . . . 6244 1 606 . 1 1 56 56 ASP HA H 1 4.66 0.02 . 1 . . . . . . . . 6244 1 607 . 1 1 56 56 ASP HB2 H 1 2.65 0.02 . 2 . . . . . . . . 6244 1 608 . 1 1 56 56 ASP C C 13 176.8 0.2 . 1 . . . . . . . . 6244 1 609 . 1 1 56 56 ASP CA C 13 53.5 0.2 . 1 . . . . . . . . 6244 1 610 . 1 1 56 56 ASP CB C 13 43.1 0.2 . 1 . . . . . . . . 6244 1 611 . 1 1 56 56 ASP N N 15 119.0 0.1 . 1 . . . . . . . . 6244 1 612 . 1 1 57 57 GLU H H 1 9.00 0.02 . 1 . . . . . . . . 6244 1 613 . 1 1 57 57 GLU HA H 1 3.86 0.02 . 1 . . . . . . . . 6244 1 614 . 1 1 57 57 GLU HB2 H 1 1.95 0.02 . 2 . . . . . . . . 6244 1 615 . 1 1 57 57 GLU HG3 H 1 2.24 0.02 . 2 . . . . . . . . 6244 1 616 . 1 1 57 57 GLU C C 13 178.5 0.2 . 1 . . . . . . . . 6244 1 617 . 1 1 57 57 GLU CA C 13 60.1 0.2 . 1 . . . . . . . . 6244 1 618 . 1 1 57 57 GLU CB C 13 30.1 0.2 . 1 . . . . . . . . 6244 1 619 . 1 1 57 57 GLU CG C 13 36.4 0.2 . 1 . . . . . . . . 6244 1 620 . 1 1 57 57 GLU N N 15 126.6 0.1 . 1 . . . . . . . . 6244 1 621 . 1 1 58 58 ASN H H 1 8.49 0.02 . 1 . . . . . . . . 6244 1 622 . 1 1 58 58 ASN HA H 1 4.46 0.02 . 1 . . . . . . . . 6244 1 623 . 1 1 58 58 ASN HB2 H 1 2.85 0.02 . 2 . . . . . . . . 6244 1 624 . 1 1 58 58 ASN HB3 H 1 2.66 0.02 . 2 . . . . . . . . 6244 1 625 . 1 1 58 58 ASN C C 13 178.5 0.2 . 1 . . . . . . . . 6244 1 626 . 1 1 58 58 ASN CA C 13 56.4 0.2 . 1 . . . . . . . . 6244 1 627 . 1 1 58 58 ASN CB C 13 37.9 0.2 . 1 . . . . . . . . 6244 1 628 . 1 1 58 58 ASN N N 15 117.0 0.1 . 1 . . . . . . . . 6244 1 629 . 1 1 59 59 GLN H H 1 8.02 0.02 . 1 . . . . . . . . 6244 1 630 . 1 1 59 59 GLN HA H 1 4.21 0.02 . 1 . . . . . . . . 6244 1 631 . 1 1 59 59 GLN HB2 H 1 2.28 0.02 . 2 . . . . . . . . 6244 1 632 . 1 1 59 59 GLN HB3 H 1 1.99 0.02 . 2 . . . . . . . . 6244 1 633 . 1 1 59 59 GLN HG2 H 1 2.51 0.02 . 2 . . . . . . . . 6244 1 634 . 1 1 59 59 GLN HG3 H 1 2.32 0.02 . 2 . . . . . . . . 6244 1 635 . 1 1 59 59 GLN C C 13 178.8 0.2 . 1 . . . . . . . . 6244 1 636 . 1 1 59 59 GLN CA C 13 58.5 0.2 . 1 . . . . . . . . 6244 1 637 . 1 1 59 59 GLN CB C 13 28.3 0.2 . 1 . . . . . . . . 6244 1 638 . 1 1 59 59 GLN CG C 13 34.7 0.2 . 1 . . . . . . . . 6244 1 639 . 1 1 59 59 GLN N N 15 119.8 0.1 . 1 . . . . . . . . 6244 1 640 . 1 1 60 60 GLN H H 1 8.10 0.02 . 1 . . . . . . . . 6244 1 641 . 1 1 60 60 GLN HA H 1 3.59 0.02 . 1 . . . . . . . . 6244 1 642 . 1 1 60 60 GLN HB2 H 1 2.22 0.02 . 2 . . . . . . . . 6244 1 643 . 1 1 60 60 GLN HG2 H 1 2.58 0.02 . 2 . . . . . . . . 6244 1 644 . 1 1 60 60 GLN C C 13 178.8 0.2 . 1 . . . . . . . . 6244 1 645 . 1 1 60 60 GLN CA C 13 60.7 0.2 . 1 . . . . . . . . 6244 1 646 . 1 1 60 60 GLN CB C 13 27.8 0.2 . 1 . . . . . . . . 6244 1 647 . 1 1 60 60 GLN CG C 13 34.5 0.2 . 1 . . . . . . . . 6244 1 648 . 1 1 60 60 GLN N N 15 118.9 0.1 . 1 . . . . . . . . 6244 1 649 . 1 1 61 61 ILE H H 1 7.58 0.02 . 1 . . . . . . . . 6244 1 650 . 1 1 61 61 ILE HA H 1 3.72 0.02 . 1 . . . . . . . . 6244 1 651 . 1 1 61 61 ILE HB H 1 2.02 0.02 . 1 . . . . . . . . 6244 1 652 . 1 1 61 61 ILE HG12 H 1 1.12 0.02 . 2 . . . . . . . . 6244 1 653 . 1 1 61 61 ILE HG13 H 1 1.75 0.02 . 2 . . . . . . . . 6244 1 654 . 1 1 61 61 ILE HG21 H 1 0.88 0.02 . 1 . . . . . . . . 6244 1 655 . 1 1 61 61 ILE HG22 H 1 0.88 0.02 . 1 . . . . . . . . 6244 1 656 . 1 1 61 61 ILE HG23 H 1 0.88 0.02 . 1 . . . . . . . . 6244 1 657 . 1 1 61 61 ILE C C 13 179.0 0.2 . 1 . . . . . . . . 6244 1 658 . 1 1 61 61 ILE CA C 13 65.1 0.2 . 1 . . . . . . . . 6244 1 659 . 1 1 61 61 ILE CB C 13 38.3 0.2 . 1 . . . . . . . . 6244 1 660 . 1 1 61 61 ILE CG1 C 13 29.2 0.2 . 2 . . . . . . . . 6244 1 661 . 1 1 61 61 ILE CG2 C 13 17.2 0.2 . 1 . . . . . . . . 6244 1 662 . 1 1 61 61 ILE N N 15 120.8 0.1 . 1 . . . . . . . . 6244 1 663 . 1 1 62 62 GLU H H 1 7.38 0.02 . 1 . . . . . . . . 6244 1 664 . 1 1 62 62 GLU HA H 1 4.12 0.02 . 1 . . . . . . . . 6244 1 665 . 1 1 62 62 GLU HB2 H 1 2.03 0.02 . 2 . . . . . . . . 6244 1 666 . 1 1 62 62 GLU HG2 H 1 2.32 0.02 . 2 . . . . . . . . 6244 1 667 . 1 1 62 62 GLU C C 13 179.6 0.2 . 1 . . . . . . . . 6244 1 668 . 1 1 62 62 GLU CA C 13 58.8 0.2 . 1 . . . . . . . . 6244 1 669 . 1 1 62 62 GLU CB C 13 30.0 0.2 . 1 . . . . . . . . 6244 1 670 . 1 1 62 62 GLU CG C 13 35.3 0.2 . 1 . . . . . . . . 6244 1 671 . 1 1 62 62 GLU N N 15 119.5 0.1 . 1 . . . . . . . . 6244 1 672 . 1 1 63 63 ILE H H 1 8.60 0.02 . 1 . . . . . . . . 6244 1 673 . 1 1 63 63 ILE HA H 1 3.54 0.02 . 1 . . . . . . . . 6244 1 674 . 1 1 63 63 ILE HB H 1 1.66 0.02 . 1 . . . . . . . . 6244 1 675 . 1 1 63 63 ILE HG12 H 1 0.98 0.02 . 2 . . . . . . . . 6244 1 676 . 1 1 63 63 ILE HG13 H 1 1.84 0.02 . 2 . . . . . . . . 6244 1 677 . 1 1 63 63 ILE HG21 H 1 0.59 0.02 . 1 . . . . . . . . 6244 1 678 . 1 1 63 63 ILE HG22 H 1 0.59 0.02 . 1 . . . . . . . . 6244 1 679 . 1 1 63 63 ILE HG23 H 1 0.59 0.02 . 1 . . . . . . . . 6244 1 680 . 1 1 63 63 ILE HD11 H 1 0.57 0.02 . 1 . . . . . . . . 6244 1 681 . 1 1 63 63 ILE HD12 H 1 0.57 0.02 . 1 . . . . . . . . 6244 1 682 . 1 1 63 63 ILE HD13 H 1 0.57 0.02 . 1 . . . . . . . . 6244 1 683 . 1 1 63 63 ILE C C 13 177.6 0.2 . 1 . . . . . . . . 6244 1 684 . 1 1 63 63 ILE CA C 13 65.3 0.2 . 1 . . . . . . . . 6244 1 685 . 1 1 63 63 ILE CB C 13 37.3 0.2 . 1 . . . . . . . . 6244 1 686 . 1 1 63 63 ILE CG1 C 13 30.9 0.2 . 1 . . . . . . . . 6244 1 687 . 1 1 63 63 ILE CG2 C 13 19.5 0.2 . 1 . . . . . . . . 6244 1 688 . 1 1 63 63 ILE CD1 C 13 14.1 0.2 . 1 . . . . . . . . 6244 1 689 . 1 1 63 63 ILE N N 15 119.8 0.1 . 1 . . . . . . . . 6244 1 690 . 1 1 64 64 THR H H 1 8.20 0.02 . 1 . . . . . . . . 6244 1 691 . 1 1 64 64 THR HA H 1 3.79 0.02 . 1 . . . . . . . . 6244 1 692 . 1 1 64 64 THR HB H 1 4.40 0.02 . 1 . . . . . . . . 6244 1 693 . 1 1 64 64 THR HG21 H 1 1.24 0.02 . 1 . . . . . . . . 6244 1 694 . 1 1 64 64 THR HG22 H 1 1.24 0.02 . 1 . . . . . . . . 6244 1 695 . 1 1 64 64 THR HG23 H 1 1.24 0.02 . 1 . . . . . . . . 6244 1 696 . 1 1 64 64 THR C C 13 175.4 0.2 . 1 . . . . . . . . 6244 1 697 . 1 1 64 64 THR CA C 13 67.9 0.2 . 1 . . . . . . . . 6244 1 698 . 1 1 64 64 THR CB C 13 68.5 0.2 . 1 . . . . . . . . 6244 1 699 . 1 1 64 64 THR CG2 C 13 21.2 0.2 . 1 . . . . . . . . 6244 1 700 . 1 1 64 64 THR N N 15 118.8 0.1 . 1 . . . . . . . . 6244 1 701 . 1 1 65 65 LYS H H 1 7.41 0.02 . 1 . . . . . . . . 6244 1 702 . 1 1 65 65 LYS HA H 1 3.93 0.02 . 1 . . . . . . . . 6244 1 703 . 1 1 65 65 LYS HB2 H 1 1.88 0.02 . 2 . . . . . . . . 6244 1 704 . 1 1 65 65 LYS HG2 H 1 1.31 0.02 . 2 . . . . . . . . 6244 1 705 . 1 1 65 65 LYS HD2 H 1 1.61 0.02 . 2 . . . . . . . . 6244 1 706 . 1 1 65 65 LYS HE2 H 1 2.68 0.02 . 2 . . . . . . . . 6244 1 707 . 1 1 65 65 LYS C C 13 179.8 0.2 . 1 . . . . . . . . 6244 1 708 . 1 1 65 65 LYS CA C 13 60.6 0.2 . 1 . . . . . . . . 6244 1 709 . 1 1 65 65 LYS CB C 13 32.9 0.2 . 1 . . . . . . . . 6244 1 710 . 1 1 65 65 LYS CG C 13 25.7 0.2 . 1 . . . . . . . . 6244 1 711 . 1 1 65 65 LYS CD C 13 30.1 0.2 . 1 . . . . . . . . 6244 1 712 . 1 1 65 65 LYS N N 15 120.7 0.1 . 1 . . . . . . . . 6244 1 713 . 1 1 66 66 ILE H H 1 7.51 0.02 . 1 . . . . . . . . 6244 1 714 . 1 1 66 66 ILE HA H 1 3.68 0.02 . 1 . . . . . . . . 6244 1 715 . 1 1 66 66 ILE HB H 1 2.07 0.02 . 1 . . . . . . . . 6244 1 716 . 1 1 66 66 ILE HG12 H 1 1.84 0.02 . 2 . . . . . . . . 6244 1 717 . 1 1 66 66 ILE HG13 H 1 0.96 0.02 . 2 . . . . . . . . 6244 1 718 . 1 1 66 66 ILE HG21 H 1 0.81 0.02 . 1 . . . . . . . . 6244 1 719 . 1 1 66 66 ILE HG22 H 1 0.81 0.02 . 1 . . . . . . . . 6244 1 720 . 1 1 66 66 ILE HG23 H 1 0.81 0.02 . 1 . . . . . . . . 6244 1 721 . 1 1 66 66 ILE HD11 H 1 0.73 0.02 . 1 . . . . . . . . 6244 1 722 . 1 1 66 66 ILE HD12 H 1 0.73 0.02 . 1 . . . . . . . . 6244 1 723 . 1 1 66 66 ILE HD13 H 1 0.73 0.02 . 1 . . . . . . . . 6244 1 724 . 1 1 66 66 ILE C C 13 178.6 0.2 . 1 . . . . . . . . 6244 1 725 . 1 1 66 66 ILE CA C 13 65.2 0.2 . 1 . . . . . . . . 6244 1 726 . 1 1 66 66 ILE CB C 13 38.2 0.2 . 1 . . . . . . . . 6244 1 727 . 1 1 66 66 ILE CG1 C 13 29.2 0.2 . 2 . . . . . . . . 6244 1 728 . 1 1 66 66 ILE CG2 C 13 17.8 0.2 . 1 . . . . . . . . 6244 1 729 . 1 1 66 66 ILE CD1 C 13 14.1 0.2 . 1 . . . . . . . . 6244 1 730 . 1 1 66 66 ILE N N 15 120.8 0.1 . 1 . . . . . . . . 6244 1 731 . 1 1 67 67 ALA H H 1 8.61 0.02 . 1 . . . . . . . . 6244 1 732 . 1 1 67 67 ALA HA H 1 4.28 0.02 . 1 . . . . . . . . 6244 1 733 . 1 1 67 67 ALA HB1 H 1 1.70 0.02 . 1 . . . . . . . . 6244 1 734 . 1 1 67 67 ALA HB2 H 1 1.70 0.02 . 1 . . . . . . . . 6244 1 735 . 1 1 67 67 ALA HB3 H 1 1.70 0.02 . 1 . . . . . . . . 6244 1 736 . 1 1 67 67 ALA C C 13 180.1 0.2 . 1 . . . . . . . . 6244 1 737 . 1 1 67 67 ALA CA C 13 54.8 0.2 . 1 . . . . . . . . 6244 1 738 . 1 1 67 67 ALA CB C 13 20.6 0.2 . 1 . . . . . . . . 6244 1 739 . 1 1 67 67 ALA N N 15 125.1 0.1 . 1 . . . . . . . . 6244 1 740 . 1 1 68 68 VAL H H 1 8.65 0.02 . 1 . . . . . . . . 6244 1 741 . 1 1 68 68 VAL HA H 1 3.57 0.02 . 1 . . . . . . . . 6244 1 742 . 1 1 68 68 VAL HB H 1 2.07 0.02 . 1 . . . . . . . . 6244 1 743 . 1 1 68 68 VAL HG11 H 1 0.91 0.02 . 1 . . . . . . . . 6244 1 744 . 1 1 68 68 VAL HG12 H 1 0.91 0.02 . 1 . . . . . . . . 6244 1 745 . 1 1 68 68 VAL HG13 H 1 0.91 0.02 . 1 . . . . . . . . 6244 1 746 . 1 1 68 68 VAL HG21 H 1 1.10 0.02 . 1 . . . . . . . . 6244 1 747 . 1 1 68 68 VAL HG22 H 1 1.10 0.02 . 1 . . . . . . . . 6244 1 748 . 1 1 68 68 VAL HG23 H 1 1.10 0.02 . 1 . . . . . . . . 6244 1 749 . 1 1 68 68 VAL C C 13 178.9 0.2 . 1 . . . . . . . . 6244 1 750 . 1 1 68 68 VAL CA C 13 67.0 0.2 . 1 . . . . . . . . 6244 1 751 . 1 1 68 68 VAL CB C 13 32.3 0.2 . 1 . . . . . . . . 6244 1 752 . 1 1 68 68 VAL CG1 C 13 21.3 0.2 . 1 . . . . . . . . 6244 1 753 . 1 1 68 68 VAL CG2 C 13 23.2 0.2 . 1 . . . . . . . . 6244 1 754 . 1 1 68 68 VAL N N 15 119.1 0.1 . 1 . . . . . . . . 6244 1 755 . 1 1 69 69 ASN H H 1 7.83 0.02 . 1 . . . . . . . . 6244 1 756 . 1 1 69 69 ASN HA H 1 4.43 0.02 . 1 . . . . . . . . 6244 1 757 . 1 1 69 69 ASN HB2 H 1 2.82 0.02 . 2 . . . . . . . . 6244 1 758 . 1 1 69 69 ASN C C 13 177.6 0.2 . 1 . . . . . . . . 6244 1 759 . 1 1 69 69 ASN CA C 13 56.5 0.2 . 1 . . . . . . . . 6244 1 760 . 1 1 69 69 ASN CB C 13 38.8 0.2 . 1 . . . . . . . . 6244 1 761 . 1 1 69 69 ASN N N 15 118.2 0.1 . 1 . . . . . . . . 6244 1 762 . 1 1 70 70 ASN H H 1 8.59 0.02 . 1 . . . . . . . . 6244 1 763 . 1 1 70 70 ASN HA H 1 4.57 0.02 . 1 . . . . . . . . 6244 1 764 . 1 1 70 70 ASN HB2 H 1 3.14 0.02 . 2 . . . . . . . . 6244 1 765 . 1 1 70 70 ASN HB3 H 1 2.83 0.02 . 2 . . . . . . . . 6244 1 766 . 1 1 70 70 ASN C C 13 176.9 0.2 . 1 . . . . . . . . 6244 1 767 . 1 1 70 70 ASN CA C 13 57.6 0.2 . 1 . . . . . . . . 6244 1 768 . 1 1 70 70 ASN CB C 13 40.2 0.2 . 1 . . . . . . . . 6244 1 769 . 1 1 70 70 ASN N N 15 120.8 0.1 . 1 . . . . . . . . 6244 1 770 . 1 1 71 71 ILE H H 1 8.51 0.02 . 1 . . . . . . . . 6244 1 771 . 1 1 71 71 ILE HA H 1 3.82 0.02 . 1 . . . . . . . . 6244 1 772 . 1 1 71 71 ILE HB H 1 2.04 0.02 . 1 . . . . . . . . 6244 1 773 . 1 1 71 71 ILE HG12 H 1 1.18 0.02 . 2 . . . . . . . . 6244 1 774 . 1 1 71 71 ILE HG13 H 1 1.47 0.02 . 2 . . . . . . . . 6244 1 775 . 1 1 71 71 ILE HG21 H 1 0.91 0.02 . 1 . . . . . . . . 6244 1 776 . 1 1 71 71 ILE HG22 H 1 0.91 0.02 . 1 . . . . . . . . 6244 1 777 . 1 1 71 71 ILE HG23 H 1 0.91 0.02 . 1 . . . . . . . . 6244 1 778 . 1 1 71 71 ILE HD11 H 1 0.09 0.02 . 1 . . . . . . . . 6244 1 779 . 1 1 71 71 ILE HD12 H 1 0.09 0.02 . 1 . . . . . . . . 6244 1 780 . 1 1 71 71 ILE HD13 H 1 0.09 0.02 . 1 . . . . . . . . 6244 1 781 . 1 1 71 71 ILE C C 13 178.7 0.2 . 1 . . . . . . . . 6244 1 782 . 1 1 71 71 ILE CA C 13 61.4 0.2 . 1 . . . . . . . . 6244 1 783 . 1 1 71 71 ILE CB C 13 36.8 0.2 . 1 . . . . . . . . 6244 1 784 . 1 1 71 71 ILE CG1 C 13 28.9 0.2 . 2 . . . . . . . . 6244 1 785 . 1 1 71 71 ILE CG2 C 13 18.4 0.2 . 1 . . . . . . . . 6244 1 786 . 1 1 71 71 ILE CD1 C 13 10.4 0.2 . 1 . . . . . . . . 6244 1 787 . 1 1 71 71 ILE N N 15 119.5 0.1 . 1 . . . . . . . . 6244 1 788 . 1 1 72 72 LYS H H 1 7.75 0.02 . 1 . . . . . . . . 6244 1 789 . 1 1 72 72 LYS HA H 1 3.98 0.02 . 1 . . . . . . . . 6244 1 790 . 1 1 72 72 LYS HB2 H 1 1.96 0.02 . 2 . . . . . . . . 6244 1 791 . 1 1 72 72 LYS HG2 H 1 1.48 0.02 . 2 . . . . . . . . 6244 1 792 . 1 1 72 72 LYS HG3 H 1 1.35 0.02 . 2 . . . . . . . . 6244 1 793 . 1 1 72 72 LYS HD2 H 1 1.61 0.02 . 2 . . . . . . . . 6244 1 794 . 1 1 72 72 LYS HE2 H 1 2.88 0.02 . 2 . . . . . . . . 6244 1 795 . 1 1 72 72 LYS C C 13 180.1 0.2 . 1 . . . . . . . . 6244 1 796 . 1 1 72 72 LYS CA C 13 60.1 0.2 . 1 . . . . . . . . 6244 1 797 . 1 1 72 72 LYS CB C 13 32.2 0.2 . 1 . . . . . . . . 6244 1 798 . 1 1 72 72 LYS CG C 13 25.0 0.2 . 1 . . . . . . . . 6244 1 799 . 1 1 72 72 LYS CD C 13 29.4 0.2 . 1 . . . . . . . . 6244 1 800 . 1 1 72 72 LYS CE C 13 42.4 0.2 . 1 . . . . . . . . 6244 1 801 . 1 1 72 72 LYS N N 15 123.6 0.1 . 1 . . . . . . . . 6244 1 802 . 1 1 73 73 THR H H 1 7.86 0.02 . 1 . . . . . . . . 6244 1 803 . 1 1 73 73 THR HA H 1 3.85 0.02 . 1 . . . . . . . . 6244 1 804 . 1 1 73 73 THR HB H 1 4.42 0.02 . 1 . . . . . . . . 6244 1 805 . 1 1 73 73 THR HG21 H 1 1.23 0.02 . 1 . . . . . . . . 6244 1 806 . 1 1 73 73 THR HG22 H 1 1.23 0.02 . 1 . . . . . . . . 6244 1 807 . 1 1 73 73 THR HG23 H 1 1.23 0.02 . 1 . . . . . . . . 6244 1 808 . 1 1 73 73 THR C C 13 176.2 0.2 . 1 . . . . . . . . 6244 1 809 . 1 1 73 73 THR CA C 13 66.6 0.2 . 1 . . . . . . . . 6244 1 810 . 1 1 73 73 THR CB C 13 68.6 0.2 . 1 . . . . . . . . 6244 1 811 . 1 1 73 73 THR CG2 C 13 21.4 0.2 . 1 . . . . . . . . 6244 1 812 . 1 1 73 73 THR N N 15 118.3 0.1 . 1 . . . . . . . . 6244 1 813 . 1 1 74 74 LEU H H 1 8.05 0.02 . 1 . . . . . . . . 6244 1 814 . 1 1 74 74 LEU HA H 1 3.71 0.02 . 1 . . . . . . . . 6244 1 815 . 1 1 74 74 LEU HB2 H 1 1.58 0.02 . 2 . . . . . . . . 6244 1 816 . 1 1 74 74 LEU HB3 H 1 1.34 0.02 . 2 . . . . . . . . 6244 1 817 . 1 1 74 74 LEU HG H 1 2.04 0.02 . 1 . . . . . . . . 6244 1 818 . 1 1 74 74 LEU HD11 H 1 0.94 0.02 . 1 . . . . . . . . 6244 1 819 . 1 1 74 74 LEU HD12 H 1 0.94 0.02 . 1 . . . . . . . . 6244 1 820 . 1 1 74 74 LEU HD13 H 1 0.94 0.02 . 1 . . . . . . . . 6244 1 821 . 1 1 74 74 LEU HD21 H 1 0.90 0.02 . 1 . . . . . . . . 6244 1 822 . 1 1 74 74 LEU HD22 H 1 0.90 0.02 . 1 . . . . . . . . 6244 1 823 . 1 1 74 74 LEU HD23 H 1 0.90 0.02 . 1 . . . . . . . . 6244 1 824 . 1 1 74 74 LEU C C 13 178.7 0.2 . 1 . . . . . . . . 6244 1 825 . 1 1 74 74 LEU CA C 13 56.7 0.2 . 1 . . . . . . . . 6244 1 826 . 1 1 74 74 LEU CB C 13 40.9 0.2 . 1 . . . . . . . . 6244 1 827 . 1 1 74 74 LEU CG C 13 26.8 0.2 . 1 . . . . . . . . 6244 1 828 . 1 1 74 74 LEU CD1 C 13 26.4 0.2 . 1 . . . . . . . . 6244 1 829 . 1 1 74 74 LEU CD2 C 13 24.0 0.2 . 1 . . . . . . . . 6244 1 830 . 1 1 74 74 LEU N N 15 119.4 0.1 . 1 . . . . . . . . 6244 1 831 . 1 1 75 75 SER H H 1 8.08 0.02 . 1 . . . . . . . . 6244 1 832 . 1 1 75 75 SER HA H 1 4.04 0.02 . 1 . . . . . . . . 6244 1 833 . 1 1 75 75 SER HB2 H 1 3.82 0.02 . 2 . . . . . . . . 6244 1 834 . 1 1 75 75 SER C C 13 175.1 0.2 . 1 . . . . . . . . 6244 1 835 . 1 1 75 75 SER CA C 13 61.3 0.2 . 1 . . . . . . . . 6244 1 836 . 1 1 75 75 SER CB C 13 62.1 0.2 . 1 . . . . . . . . 6244 1 837 . 1 1 75 75 SER N N 15 114.7 0.1 . 1 . . . . . . . . 6244 1 838 . 1 1 76 76 SER H H 1 7.23 0.02 . 1 . . . . . . . . 6244 1 839 . 1 1 76 76 SER HA H 1 4.27 0.02 . 1 . . . . . . . . 6244 1 840 . 1 1 76 76 SER HB2 H 1 3.78 0.02 . 2 . . . . . . . . 6244 1 841 . 1 1 76 76 SER C C 13 174.4 0.2 . 1 . . . . . . . . 6244 1 842 . 1 1 76 76 SER CA C 13 59.4 0.2 . 1 . . . . . . . . 6244 1 843 . 1 1 76 76 SER CB C 13 64.0 0.2 . 1 . . . . . . . . 6244 1 844 . 1 1 76 76 SER N N 15 115.1 0.1 . 1 . . . . . . . . 6244 1 845 . 1 1 77 77 VAL H H 1 7.08 0.02 . 1 . . . . . . . . 6244 1 846 . 1 1 77 77 VAL HA H 1 3.56 0.02 . 1 . . . . . . . . 6244 1 847 . 1 1 77 77 VAL HB H 1 1.66 0.02 . 1 . . . . . . . . 6244 1 848 . 1 1 77 77 VAL HG11 H 1 0.55 0.02 . 1 . . . . . . . . 6244 1 849 . 1 1 77 77 VAL HG12 H 1 0.55 0.02 . 1 . . . . . . . . 6244 1 850 . 1 1 77 77 VAL HG13 H 1 0.55 0.02 . 1 . . . . . . . . 6244 1 851 . 1 1 77 77 VAL HG21 H 1 0.04 0.02 . 1 . . . . . . . . 6244 1 852 . 1 1 77 77 VAL HG22 H 1 0.04 0.02 . 1 . . . . . . . . 6244 1 853 . 1 1 77 77 VAL HG23 H 1 0.04 0.02 . 1 . . . . . . . . 6244 1 854 . 1 1 77 77 VAL C C 13 176.3 0.2 . 1 . . . . . . . . 6244 1 855 . 1 1 77 77 VAL CA C 13 63.2 0.2 . 1 . . . . . . . . 6244 1 856 . 1 1 77 77 VAL CB C 13 32.2 0.2 . 1 . . . . . . . . 6244 1 857 . 1 1 77 77 VAL CG1 C 13 21.1 0.2 . 1 . . . . . . . . 6244 1 858 . 1 1 77 77 VAL CG2 C 13 20.2 0.2 . 1 . . . . . . . . 6244 1 859 . 1 1 77 77 VAL N N 15 121.7 0.1 . 1 . . . . . . . . 6244 1 860 . 1 1 78 78 GLY H H 1 7.58 0.02 . 1 . . . . . . . . 6244 1 861 . 1 1 78 78 GLY HA3 H 1 3.54 0.02 . 2 . . . . . . . . 6244 1 862 . 1 1 78 78 GLY C C 13 173.3 0.2 . 1 . . . . . . . . 6244 1 863 . 1 1 78 78 GLY CA C 13 45.4 0.2 . 1 . . . . . . . . 6244 1 864 . 1 1 78 78 GLY N N 15 109.3 0.1 . 1 . . . . . . . . 6244 1 865 . 1 1 79 79 ALA H H 1 7.89 0.02 . 1 . . . . . . . . 6244 1 866 . 1 1 79 79 ALA HA H 1 4.18 0.02 . 1 . . . . . . . . 6244 1 867 . 1 1 79 79 ALA HB1 H 1 1.18 0.02 . 1 . . . . . . . . 6244 1 868 . 1 1 79 79 ALA HB2 H 1 1.18 0.02 . 1 . . . . . . . . 6244 1 869 . 1 1 79 79 ALA HB3 H 1 1.18 0.02 . 1 . . . . . . . . 6244 1 870 . 1 1 79 79 ALA C C 13 177.8 0.2 . 1 . . . . . . . . 6244 1 871 . 1 1 79 79 ALA CA C 13 52.5 0.2 . 1 . . . . . . . . 6244 1 872 . 1 1 79 79 ALA CB C 13 19.3 0.2 . 1 . . . . . . . . 6244 1 873 . 1 1 79 79 ALA N N 15 122.6 0.1 . 1 . . . . . . . . 6244 1 874 . 1 1 80 80 THR H H 1 7.50 0.02 . 1 . . . . . . . . 6244 1 875 . 1 1 80 80 THR HA H 1 4.35 0.02 . 1 . . . . . . . . 6244 1 876 . 1 1 80 80 THR HB H 1 4.35 0.02 . 1 . . . . . . . . 6244 1 877 . 1 1 80 80 THR HG21 H 1 1.03 0.02 . 1 . . . . . . . . 6244 1 878 . 1 1 80 80 THR HG22 H 1 1.03 0.02 . 1 . . . . . . . . 6244 1 879 . 1 1 80 80 THR HG23 H 1 1.03 0.02 . 1 . . . . . . . . 6244 1 880 . 1 1 80 80 THR C C 13 175.6 0.2 . 1 . . . . . . . . 6244 1 881 . 1 1 80 80 THR CA C 13 60.1 0.2 . 1 . . . . . . . . 6244 1 882 . 1 1 80 80 THR CB C 13 70.3 0.2 . 1 . . . . . . . . 6244 1 883 . 1 1 80 80 THR CG2 C 13 21.5 0.2 . 1 . . . . . . . . 6244 1 884 . 1 1 80 80 THR N N 15 108.4 0.1 . 1 . . . . . . . . 6244 1 885 . 1 1 81 81 GLY H H 1 8.88 0.02 . 1 . . . . . . . . 6244 1 886 . 1 1 81 81 GLY HA2 H 1 3.26 0.02 . 2 . . . . . . . . 6244 1 887 . 1 1 81 81 GLY HA3 H 1 3.60 0.02 . 2 . . . . . . . . 6244 1 888 . 1 1 81 81 GLY C C 13 173.9 0.2 . 1 . . . . . . . . 6244 1 889 . 1 1 81 81 GLY CA C 13 46.6 0.2 . 1 . . . . . . . . 6244 1 890 . 1 1 81 81 GLY N N 15 110.1 0.1 . 1 . . . . . . . . 6244 1 891 . 1 1 82 82 GLN H H 1 8.14 0.02 . 1 . . . . . . . . 6244 1 892 . 1 1 82 82 GLN HA H 1 2.52 0.02 . 1 . . . . . . . . 6244 1 893 . 1 1 82 82 GLN HB2 H 1 1.43 0.02 . 2 . . . . . . . . 6244 1 894 . 1 1 82 82 GLN HB3 H 1 1.31 0.02 . 2 . . . . . . . . 6244 1 895 . 1 1 82 82 GLN HG2 H 1 1.92 0.02 . 2 . . . . . . . . 6244 1 896 . 1 1 82 82 GLN HG3 H 1 1.76 0.02 . 2 . . . . . . . . 6244 1 897 . 1 1 82 82 GLN C C 13 178.1 0.2 . 1 . . . . . . . . 6244 1 898 . 1 1 82 82 GLN CA C 13 58.5 0.2 . 1 . . . . . . . . 6244 1 899 . 1 1 82 82 GLN CB C 13 28.9 0.2 . 1 . . . . . . . . 6244 1 900 . 1 1 82 82 GLN CG C 13 33.1 0.2 . 1 . . . . . . . . 6244 1 901 . 1 1 82 82 GLN N N 15 120.9 0.1 . 1 . . . . . . . . 6244 1 902 . 1 1 83 83 TYR H H 1 7.27 0.02 . 1 . . . . . . . . 6244 1 903 . 1 1 83 83 TYR HA H 1 4.07 0.02 . 1 . . . . . . . . 6244 1 904 . 1 1 83 83 TYR HB2 H 1 2.74 0.02 . 2 . . . . . . . . 6244 1 905 . 1 1 83 83 TYR HB3 H 1 2.82 0.02 . 2 . . . . . . . . 6244 1 906 . 1 1 83 83 TYR HD1 H 1 7.0 0.02 . 2 . . . . . . . . 6244 1 907 . 1 1 83 83 TYR HE1 H 1 6.70 0.02 . 2 . . . . . . . . 6244 1 908 . 1 1 83 83 TYR C C 13 178.9 0.2 . 1 . . . . . . . . 6244 1 909 . 1 1 83 83 TYR CA C 13 60.0 0.2 . 1 . . . . . . . . 6244 1 910 . 1 1 83 83 TYR CB C 13 37.6 0.2 . 1 . . . . . . . . 6244 1 911 . 1 1 83 83 TYR CD1 C 13 133.1 0.2 . 3 . . . . . . . . 6244 1 912 . 1 1 83 83 TYR CE1 C 13 118.7 0.2 . 3 . . . . . . . . 6244 1 913 . 1 1 83 83 TYR N N 15 118.5 0.1 . 1 . . . . . . . . 6244 1 914 . 1 1 84 84 MET H H 1 7.87 0.02 . 1 . . . . . . . . 6244 1 915 . 1 1 84 84 MET HA H 1 4.10 0.02 . 1 . . . . . . . . 6244 1 916 . 1 1 84 84 MET HB2 H 1 1.28 0.02 . 2 . . . . . . . . 6244 1 917 . 1 1 84 84 MET HB3 H 1 1.84 0.02 . 2 . . . . . . . . 6244 1 918 . 1 1 84 84 MET HG2 H 1 2.02 0.02 . 2 . . . . . . . . 6244 1 919 . 1 1 84 84 MET C C 13 177.3 0.2 . 1 . . . . . . . . 6244 1 920 . 1 1 84 84 MET CA C 13 56.4 0.2 . 1 . . . . . . . . 6244 1 921 . 1 1 84 84 MET CB C 13 30.2 0.2 . 1 . . . . . . . . 6244 1 922 . 1 1 84 84 MET CG C 13 36.7 0.2 . 1 . . . . . . . . 6244 1 923 . 1 1 84 84 MET N N 15 121.0 0.1 . 1 . . . . . . . . 6244 1 924 . 1 1 85 85 ALA H H 1 8.35 0.02 . 1 . . . . . . . . 6244 1 925 . 1 1 85 85 ALA HA H 1 3.72 0.02 . 1 . . . . . . . . 6244 1 926 . 1 1 85 85 ALA HB1 H 1 1.38 0.02 . 1 . . . . . . . . 6244 1 927 . 1 1 85 85 ALA HB2 H 1 1.38 0.02 . 1 . . . . . . . . 6244 1 928 . 1 1 85 85 ALA HB3 H 1 1.38 0.02 . 1 . . . . . . . . 6244 1 929 . 1 1 85 85 ALA C C 13 179.7 0.2 . 1 . . . . . . . . 6244 1 930 . 1 1 85 85 ALA CA C 13 56.3 0.2 . 1 . . . . . . . . 6244 1 931 . 1 1 85 85 ALA CB C 13 18.3 0.2 . 1 . . . . . . . . 6244 1 932 . 1 1 85 85 ALA N N 15 120.5 0.1 . 1 . . . . . . . . 6244 1 933 . 1 1 86 86 SER H H 1 7.42 0.02 . 1 . . . . . . . . 6244 1 934 . 1 1 86 86 SER HA H 1 4.09 0.02 . 1 . . . . . . . . 6244 1 935 . 1 1 86 86 SER C C 13 178.0 0.2 . 1 . . . . . . . . 6244 1 936 . 1 1 86 86 SER CA C 13 61.3 0.2 . 1 . . . . . . . . 6244 1 937 . 1 1 86 86 SER CB C 13 63.4 0.2 . 1 . . . . . . . . 6244 1 938 . 1 1 86 86 SER N N 15 111.0 0.1 . 1 . . . . . . . . 6244 1 939 . 1 1 87 87 PHE H H 1 8.28 0.02 . 1 . . . . . . . . 6244 1 940 . 1 1 87 87 PHE HA H 1 4.11 0.02 . 1 . . . . . . . . 6244 1 941 . 1 1 87 87 PHE HB2 H 1 3.03 0.02 . 2 . . . . . . . . 6244 1 942 . 1 1 87 87 PHE HD1 H 1 7.12 0.02 . 4 . . . . . . . . 6244 1 943 . 1 1 87 87 PHE C C 13 178.6 0.2 . 1 . . . . . . . . 6244 1 944 . 1 1 87 87 PHE CA C 13 61.9 0.2 . 1 . . . . . . . . 6244 1 945 . 1 1 87 87 PHE CB C 13 39.5 0.2 . 1 . . . . . . . . 6244 1 946 . 1 1 87 87 PHE N N 15 125.5 0.1 . 1 . . . . . . . . 6244 1 947 . 1 1 88 88 PHE H H 1 8.86 0.02 . 1 . . . . . . . . 6244 1 948 . 1 1 88 88 PHE HA H 1 4.45 0.02 . 1 . . . . . . . . 6244 1 949 . 1 1 88 88 PHE HB2 H 1 3.47 0.02 . 2 . . . . . . . . 6244 1 950 . 1 1 88 88 PHE HD1 H 1 6.92 0.02 . 4 . . . . . . . . 6244 1 951 . 1 1 88 88 PHE C C 13 178.2 0.2 . 1 . . . . . . . . 6244 1 952 . 1 1 88 88 PHE CA C 13 56.6 0.2 . 1 . . . . . . . . 6244 1 953 . 1 1 88 88 PHE CB C 13 36.8 0.2 . 1 . . . . . . . . 6244 1 954 . 1 1 88 88 PHE N N 15 118.7 0.1 . 1 . . . . . . . . 6244 1 955 . 1 1 89 89 SER H H 1 7.76 0.02 . 1 . . . . . . . . 6244 1 956 . 1 1 89 89 SER HA H 1 2.93 0.02 . 1 . . . . . . . . 6244 1 957 . 1 1 89 89 SER HB2 H 1 3.29 0.02 . 2 . . . . . . . . 6244 1 958 . 1 1 89 89 SER HB3 H 1 3.49 0.02 . 2 . . . . . . . . 6244 1 959 . 1 1 89 89 SER C C 13 175.1 0.2 . 1 . . . . . . . . 6244 1 960 . 1 1 89 89 SER CA C 13 61.2 0.2 . 1 . . . . . . . . 6244 1 961 . 1 1 89 89 SER CB C 13 62.0 0.2 . 1 . . . . . . . . 6244 1 962 . 1 1 89 89 SER N N 15 116.8 0.1 . 1 . . . . . . . . 6244 1 963 . 1 1 90 90 THR H H 1 6.88 0.02 . 1 . . . . . . . . 6244 1 964 . 1 1 90 90 THR HA H 1 4.33 0.02 . 1 . . . . . . . . 6244 1 965 . 1 1 90 90 THR HB H 1 4.17 0.02 . 1 . . . . . . . . 6244 1 966 . 1 1 90 90 THR HG21 H 1 1.01 0.02 . 1 . . . . . . . . 6244 1 967 . 1 1 90 90 THR HG22 H 1 1.01 0.02 . 1 . . . . . . . . 6244 1 968 . 1 1 90 90 THR HG23 H 1 1.01 0.02 . 1 . . . . . . . . 6244 1 969 . 1 1 90 90 THR C C 13 174.1 0.2 . 1 . . . . . . . . 6244 1 970 . 1 1 90 90 THR CA C 13 61.6 0.2 . 1 . . . . . . . . 6244 1 971 . 1 1 90 90 THR CB C 13 68.7 0.2 . 1 . . . . . . . . 6244 1 972 . 1 1 90 90 THR CG2 C 13 21.6 0.2 . 1 . . . . . . . . 6244 1 973 . 1 1 90 90 THR N N 15 109.0 0.1 . 1 . . . . . . . . 6244 1 974 . 1 1 91 91 ASN H H 1 7.31 0.02 . 1 . . . . . . . . 6244 1 975 . 1 1 91 91 ASN HA H 1 4.77 0.02 . 1 . . . . . . . . 6244 1 976 . 1 1 91 91 ASN HB2 H 1 1.94 0.02 . 2 . . . . . . . . 6244 1 977 . 1 1 91 91 ASN HB3 H 1 1.60 0.02 . 2 . . . . . . . . 6244 1 978 . 1 1 91 91 ASN C C 13 172.8 0.2 . 1 . . . . . . . . 6244 1 979 . 1 1 91 91 ASN CA C 13 52.2 0.2 . 1 . . . . . . . . 6244 1 980 . 1 1 91 91 ASN CB C 13 39.3 0.2 . 1 . . . . . . . . 6244 1 981 . 1 1 91 91 ASN N N 15 122.7 0.1 . 1 . . . . . . . . 6244 1 982 . 1 1 92 92 SER H H 1 8.27 0.02 . 1 . . . . . . . . 6244 1 983 . 1 1 92 92 SER HA H 1 3.85 0.02 . 1 . . . . . . . . 6244 1 984 . 1 1 92 92 SER HB2 H 1 3.69 0.02 . 2 . . . . . . . . 6244 1 985 . 1 1 92 92 SER C C 13 175.5 0.2 . 1 . . . . . . . . 6244 1 986 . 1 1 92 92 SER CA C 13 62.3 0.2 . 1 . . . . . . . . 6244 1 987 . 1 1 92 92 SER CB C 13 63.0 0.2 . 1 . . . . . . . . 6244 1 988 . 1 1 92 92 SER N N 15 117.3 0.1 . 1 . . . . . . . . 6244 1 989 . 1 1 93 93 GLU H H 1 8.83 0.02 . 1 . . . . . . . . 6244 1 990 . 1 1 93 93 GLU HA H 1 4.04 0.02 . 1 . . . . . . . . 6244 1 991 . 1 1 93 93 GLU HB2 H 1 2.07 0.02 . 2 . . . . . . . . 6244 1 992 . 1 1 93 93 GLU HB3 H 1 2.01 0.02 . 2 . . . . . . . . 6244 1 993 . 1 1 93 93 GLU HG2 H 1 2.15 0.02 . 2 . . . . . . . . 6244 1 994 . 1 1 93 93 GLU CA C 13 62.6 0.2 . 1 . . . . . . . . 6244 1 995 . 1 1 93 93 GLU CB C 13 27.2 0.2 . 1 . . . . . . . . 6244 1 996 . 1 1 93 93 GLU N N 15 121.6 0.1 . 1 . . . . . . . . 6244 1 997 . 1 1 94 94 PRO HA H 1 4.31 0.02 . 1 . . . . . . . . 6244 1 998 . 1 1 94 94 PRO HB2 H 1 2.40 0.02 . 2 . . . . . . . . 6244 1 999 . 1 1 94 94 PRO HB3 H 1 1.78 0.02 . 2 . . . . . . . . 6244 1 1000 . 1 1 94 94 PRO HG2 H 1 2.08 0.02 . 2 . . . . . . . . 6244 1 1001 . 1 1 94 94 PRO HG3 H 1 2.11 0.02 . 2 . . . . . . . . 6244 1 1002 . 1 1 94 94 PRO HD2 H 1 3.59 0.02 . 2 . . . . . . . . 6244 1 1003 . 1 1 94 94 PRO HD3 H 1 3.52 0.02 . 2 . . . . . . . . 6244 1 1004 . 1 1 94 94 PRO C C 13 178.4 0.2 . 1 . . . . . . . . 6244 1 1005 . 1 1 94 94 PRO CA C 13 64.8 0.2 . 1 . . . . . . . . 6244 1 1006 . 1 1 94 94 PRO CB C 13 31.2 0.2 . 1 . . . . . . . . 6244 1 1007 . 1 1 94 94 PRO CG C 13 28.8 0.2 . 1 . . . . . . . . 6244 1 1008 . 1 1 94 94 PRO CD C 13 49.0 0.2 . 1 . . . . . . . . 6244 1 1009 . 1 1 95 95 ALA H H 1 6.79 0.02 . 1 . . . . . . . . 6244 1 1010 . 1 1 95 95 ALA HA H 1 2.88 0.02 . 1 . . . . . . . . 6244 1 1011 . 1 1 95 95 ALA HB1 H 1 1.09 0.02 . 1 . . . . . . . . 6244 1 1012 . 1 1 95 95 ALA HB2 H 1 1.09 0.02 . 1 . . . . . . . . 6244 1 1013 . 1 1 95 95 ALA HB3 H 1 1.09 0.02 . 1 . . . . . . . . 6244 1 1014 . 1 1 95 95 ALA C C 13 178.8 0.2 . 1 . . . . . . . . 6244 1 1015 . 1 1 95 95 ALA CA C 13 54.7 0.2 . 1 . . . . . . . . 6244 1 1016 . 1 1 95 95 ALA CB C 13 20.8 0.2 . 1 . . . . . . . . 6244 1 1017 . 1 1 95 95 ALA N N 15 119.3 0.1 . 1 . . . . . . . . 6244 1 1018 . 1 1 96 96 ILE H H 1 8.52 0.02 . 1 . . . . . . . . 6244 1 1019 . 1 1 96 96 ILE HA H 1 3.02 0.02 . 1 . . . . . . . . 6244 1 1020 . 1 1 96 96 ILE HB H 1 1.81 0.02 . 1 . . . . . . . . 6244 1 1021 . 1 1 96 96 ILE HG12 H 1 1.18 0.02 . 2 . . . . . . . . 6244 1 1022 . 1 1 96 96 ILE HG13 H 1 1.77 0.02 . 2 . . . . . . . . 6244 1 1023 . 1 1 96 96 ILE HG21 H 1 0.77 0.02 . 1 . . . . . . . . 6244 1 1024 . 1 1 96 96 ILE HG22 H 1 0.77 0.02 . 1 . . . . . . . . 6244 1 1025 . 1 1 96 96 ILE HG23 H 1 0.77 0.02 . 1 . . . . . . . . 6244 1 1026 . 1 1 96 96 ILE HD11 H 1 0.86 0.02 . 1 . . . . . . . . 6244 1 1027 . 1 1 96 96 ILE HD12 H 1 0.86 0.02 . 1 . . . . . . . . 6244 1 1028 . 1 1 96 96 ILE HD13 H 1 0.86 0.02 . 1 . . . . . . . . 6244 1 1029 . 1 1 96 96 ILE C C 13 177.2 0.2 . 1 . . . . . . . . 6244 1 1030 . 1 1 96 96 ILE CA C 13 66.2 0.2 . 1 . . . . . . . . 6244 1 1031 . 1 1 96 96 ILE CB C 13 39.0 0.2 . 1 . . . . . . . . 6244 1 1032 . 1 1 96 96 ILE CG1 C 13 31.0 0.2 . 2 . . . . . . . . 6244 1 1033 . 1 1 96 96 ILE CG2 C 13 18.3 0.2 . 1 . . . . . . . . 6244 1 1034 . 1 1 96 96 ILE CD1 C 13 14.9 0.2 . 1 . . . . . . . . 6244 1 1035 . 1 1 96 96 ILE N N 15 121.2 0.1 . 1 . . . . . . . . 6244 1 1036 . 1 1 97 97 ILE H H 1 8.06 0.02 . 1 . . . . . . . . 6244 1 1037 . 1 1 97 97 ILE HA H 1 3.26 0.02 . 1 . . . . . . . . 6244 1 1038 . 1 1 97 97 ILE HB H 1 1.87 0.02 . 1 . . . . . . . . 6244 1 1039 . 1 1 97 97 ILE HG12 H 1 1.15 0.02 . 1 . . . . . . . . 6244 1 1040 . 1 1 97 97 ILE HG13 H 1 1.48 0.02 . 1 . . . . . . . . 6244 1 1041 . 1 1 97 97 ILE HG21 H 1 0.69 0.02 . 1 . . . . . . . . 6244 1 1042 . 1 1 97 97 ILE HG22 H 1 0.69 0.02 . 1 . . . . . . . . 6244 1 1043 . 1 1 97 97 ILE HG23 H 1 0.69 0.02 . 1 . . . . . . . . 6244 1 1044 . 1 1 97 97 ILE HD11 H 1 0.64 0.02 . 1 . . . . . . . . 6244 1 1045 . 1 1 97 97 ILE HD12 H 1 0.64 0.02 . 1 . . . . . . . . 6244 1 1046 . 1 1 97 97 ILE HD13 H 1 0.64 0.02 . 1 . . . . . . . . 6244 1 1047 . 1 1 97 97 ILE C C 13 177.0 0.2 . 1 . . . . . . . . 6244 1 1048 . 1 1 97 97 ILE CA C 13 63.4 0.2 . 1 . . . . . . . . 6244 1 1049 . 1 1 97 97 ILE CB C 13 36.7 0.2 . 1 . . . . . . . . 6244 1 1050 . 1 1 97 97 ILE CG1 C 13 28.0 0.2 . 2 . . . . . . . . 6244 1 1051 . 1 1 97 97 ILE CG2 C 13 18.3 0.2 . 1 . . . . . . . . 6244 1 1052 . 1 1 97 97 ILE CD1 C 13 11.0 0.2 . 1 . . . . . . . . 6244 1 1053 . 1 1 97 97 ILE N N 15 116.7 0.1 . 1 . . . . . . . . 6244 1 1054 . 1 1 98 98 PHE H H 1 8.25 0.02 . 1 . . . . . . . . 6244 1 1055 . 1 1 98 98 PHE HA H 1 4.20 0.02 . 1 . . . . . . . . 6244 1 1056 . 1 1 98 98 PHE HB2 H 1 3.30 0.02 . 2 . . . . . . . . 6244 1 1057 . 1 1 98 98 PHE HB3 H 1 3.21 0.02 . 2 . . . . . . . . 6244 1 1058 . 1 1 98 98 PHE C C 13 176.2 0.2 . 1 . . . . . . . . 6244 1 1059 . 1 1 98 98 PHE CA C 13 63.0 0.2 . 1 . . . . . . . . 6244 1 1060 . 1 1 98 98 PHE CB C 13 39.6 0.2 . 1 . . . . . . . . 6244 1 1061 . 1 1 98 98 PHE N N 15 119.1 0.1 . 1 . . . . . . . . 6244 1 1062 . 1 1 99 99 CYS H H 1 8.01 0.02 . 1 . . . . . . . . 6244 1 1063 . 1 1 99 99 CYS HA H 1 3.83 0.02 . 1 . . . . . . . . 6244 1 1064 . 1 1 99 99 CYS HB2 H 1 2.47 0.02 . 2 . . . . . . . . 6244 1 1065 . 1 1 99 99 CYS HB3 H 1 2.27 0.02 . 2 . . . . . . . . 6244 1 1066 . 1 1 99 99 CYS C C 13 176.3 0.2 . 1 . . . . . . . . 6244 1 1067 . 1 1 99 99 CYS CA C 13 66.0 0.2 . 1 . . . . . . . . 6244 1 1068 . 1 1 99 99 CYS CB C 13 28.8 0.2 . 1 . . . . . . . . 6244 1 1069 . 1 1 99 99 CYS N N 15 116.3 0.1 . 1 . . . . . . . . 6244 1 1070 . 1 1 100 100 VAL H H 1 7.47 0.02 . 1 . . . . . . . . 6244 1 1071 . 1 1 100 100 VAL HA H 1 3.07 0.02 . 1 . . . . . . . . 6244 1 1072 . 1 1 100 100 VAL HB H 1 1.76 0.02 . 1 . . . . . . . . 6244 1 1073 . 1 1 100 100 VAL HG11 H 1 0.75 0.02 . 1 . . . . . . . . 6244 1 1074 . 1 1 100 100 VAL HG12 H 1 0.75 0.02 . 1 . . . . . . . . 6244 1 1075 . 1 1 100 100 VAL HG13 H 1 0.75 0.02 . 1 . . . . . . . . 6244 1 1076 . 1 1 100 100 VAL HG21 H 1 0.51 0.02 . 1 . . . . . . . . 6244 1 1077 . 1 1 100 100 VAL HG22 H 1 0.51 0.02 . 1 . . . . . . . . 6244 1 1078 . 1 1 100 100 VAL HG23 H 1 0.51 0.02 . 1 . . . . . . . . 6244 1 1079 . 1 1 100 100 VAL C C 13 176.5 0.2 . 1 . . . . . . . . 6244 1 1080 . 1 1 100 100 VAL CA C 13 66.9 0.2 . 1 . . . . . . . . 6244 1 1081 . 1 1 100 100 VAL CB C 13 32.5 0.2 . 1 . . . . . . . . 6244 1 1082 . 1 1 100 100 VAL CG1 C 13 22.7 0.2 . 1 . . . . . . . . 6244 1 1083 . 1 1 100 100 VAL CG2 C 13 23.4 0.2 . 1 . . . . . . . . 6244 1 1084 . 1 1 100 100 VAL N N 15 116.4 0.1 . 1 . . . . . . . . 6244 1 1085 . 1 1 101 101 ILE H H 1 8.41 0.02 . 1 . . . . . . . . 6244 1 1086 . 1 1 101 101 ILE HA H 1 3.16 0.02 . 1 . . . . . . . . 6244 1 1087 . 1 1 101 101 ILE HB H 1 1.63 0.02 . 1 . . . . . . . . 6244 1 1088 . 1 1 101 101 ILE HG12 H 1 1.12 0.02 . 2 . . . . . . . . 6244 1 1089 . 1 1 101 101 ILE HG13 H 1 1.33 0.02 . 2 . . . . . . . . 6244 1 1090 . 1 1 101 101 ILE HG21 H 1 0.01 0.02 . 1 . . . . . . . . 6244 1 1091 . 1 1 101 101 ILE HG22 H 1 0.01 0.02 . 1 . . . . . . . . 6244 1 1092 . 1 1 101 101 ILE HG23 H 1 0.01 0.02 . 1 . . . . . . . . 6244 1 1093 . 1 1 101 101 ILE HD11 H 1 0.40 0.02 . 1 . . . . . . . . 6244 1 1094 . 1 1 101 101 ILE HD12 H 1 0.40 0.02 . 1 . . . . . . . . 6244 1 1095 . 1 1 101 101 ILE HD13 H 1 0.40 0.02 . 1 . . . . . . . . 6244 1 1096 . 1 1 101 101 ILE C C 13 177.5 0.2 . 1 . . . . . . . . 6244 1 1097 . 1 1 101 101 ILE CA C 13 63.3 0.2 . 1 . . . . . . . . 6244 1 1098 . 1 1 101 101 ILE CB C 13 35.3 0.2 . 1 . . . . . . . . 6244 1 1099 . 1 1 101 101 ILE CG1 C 13 28.5 0.2 . 2 . . . . . . . . 6244 1 1100 . 1 1 101 101 ILE CG2 C 13 19.1 0.2 . 1 . . . . . . . . 6244 1 1101 . 1 1 101 101 ILE CD1 C 13 10.4 0.2 . 1 . . . . . . . . 6244 1 1102 . 1 1 101 101 ILE N N 15 118.9 0.1 . 1 . . . . . . . . 6244 1 1103 . 1 1 102 102 TYR H H 1 8.92 0.02 . 1 . . . . . . . . 6244 1 1104 . 1 1 102 102 TYR HA H 1 3.96 0.02 . 1 . . . . . . . . 6244 1 1105 . 1 1 102 102 TYR HB2 H 1 2.48 0.02 . 2 . . . . . . . . 6244 1 1106 . 1 1 102 102 TYR HB3 H 1 2.56 0.02 . 2 . . . . . . . . 6244 1 1107 . 1 1 102 102 TYR C C 13 176.8 0.2 . 1 . . . . . . . . 6244 1 1108 . 1 1 102 102 TYR CA C 13 60.7 0.2 . 1 . . . . . . . . 6244 1 1109 . 1 1 102 102 TYR CB C 13 38.2 0.2 . 1 . . . . . . . . 6244 1 1110 . 1 1 102 102 TYR N N 15 119.6 0.1 . 1 . . . . . . . . 6244 1 1111 . 1 1 103 103 PHE H H 1 7.68 0.02 . 1 . . . . . . . . 6244 1 1112 . 1 1 103 103 PHE HA H 1 3.53 0.02 . 1 . . . . . . . . 6244 1 1113 . 1 1 103 103 PHE HB2 H 1 2.77 0.02 . 2 . . . . . . . . 6244 1 1114 . 1 1 103 103 PHE C C 13 176.4 0.2 . 1 . . . . . . . . 6244 1 1115 . 1 1 103 103 PHE CA C 13 61.9 0.2 . 1 . . . . . . . . 6244 1 1116 . 1 1 103 103 PHE CB C 13 39.1 0.2 . 1 . . . . . . . . 6244 1 1117 . 1 1 103 103 PHE N N 15 118.5 0.1 . 1 . . . . . . . . 6244 1 1118 . 1 1 104 104 LEU H H 1 8.18 0.02 . 1 . . . . . . . . 6244 1 1119 . 1 1 104 104 LEU HA H 1 4.09 0.02 . 1 . . . . . . . . 6244 1 1120 . 1 1 104 104 LEU HB2 H 1 1.74 0.02 . 2 . . . . . . . . 6244 1 1121 . 1 1 104 104 LEU HB3 H 1 1.11 0.02 . 2 . . . . . . . . 6244 1 1122 . 1 1 104 104 LEU HG H 1 2.30 0.02 . 1 . . . . . . . . 6244 1 1123 . 1 1 104 104 LEU HD11 H 1 0.52 0.02 . 1 . . . . . . . . 6244 1 1124 . 1 1 104 104 LEU HD12 H 1 0.52 0.02 . 1 . . . . . . . . 6244 1 1125 . 1 1 104 104 LEU HD13 H 1 0.52 0.02 . 1 . . . . . . . . 6244 1 1126 . 1 1 104 104 LEU HD21 H 1 0.75 0.02 . 1 . . . . . . . . 6244 1 1127 . 1 1 104 104 LEU HD22 H 1 0.75 0.02 . 1 . . . . . . . . 6244 1 1128 . 1 1 104 104 LEU HD23 H 1 0.75 0.02 . 1 . . . . . . . . 6244 1 1129 . 1 1 104 104 LEU C C 13 181.0 0.2 . 1 . . . . . . . . 6244 1 1130 . 1 1 104 104 LEU CA C 13 58.2 0.2 . 1 . . . . . . . . 6244 1 1131 . 1 1 104 104 LEU CB C 13 42.2 0.2 . 1 . . . . . . . . 6244 1 1132 . 1 1 104 104 LEU CG C 13 26.3 0.2 . 1 . . . . . . . . 6244 1 1133 . 1 1 104 104 LEU CD1 C 13 25.9 0.2 . 1 . . . . . . . . 6244 1 1134 . 1 1 104 104 LEU CD2 C 13 22.2 0.2 . 1 . . . . . . . . 6244 1 1135 . 1 1 104 104 LEU N N 15 117.4 0.1 . 1 . . . . . . . . 6244 1 1136 . 1 1 105 105 TYR H H 1 8.83 0.02 . 1 . . . . . . . . 6244 1 1137 . 1 1 105 105 TYR HA H 1 4.57 0.02 . 1 . . . . . . . . 6244 1 1138 . 1 1 105 105 TYR HB2 H 1 2.81 0.02 . 2 . . . . . . . . 6244 1 1139 . 1 1 105 105 TYR HD1 H 1 6.66 0.02 . 2 . . . . . . . . 6244 1 1140 . 1 1 105 105 TYR HE1 H 1 6.08 0.02 . 2 . . . . . . . . 6244 1 1141 . 1 1 105 105 TYR C C 13 180.9 0.2 . 1 . . . . . . . . 6244 1 1142 . 1 1 105 105 TYR CA C 13 61.0 0.2 . 1 . . . . . . . . 6244 1 1143 . 1 1 105 105 TYR CB C 13 39.1 0.2 . 1 . . . . . . . . 6244 1 1144 . 1 1 105 105 TYR CD1 C 13 132.8 0.2 . 3 . . . . . . . . 6244 1 1145 . 1 1 105 105 TYR CE1 C 13 118.6 0.2 . 3 . . . . . . . . 6244 1 1146 . 1 1 105 105 TYR N N 15 118.8 0.1 . 1 . . . . . . . . 6244 1 1147 . 1 1 106 106 HIS H H 1 9.34 0.02 . 1 . . . . . . . . 6244 1 1148 . 1 1 106 106 HIS HA H 1 3.82 0.02 . 1 . . . . . . . . 6244 1 1149 . 1 1 106 106 HIS HB2 H 1 1.82 0.02 . 2 . . . . . . . . 6244 1 1150 . 1 1 106 106 HIS HB3 H 1 2.35 0.02 . 2 . . . . . . . . 6244 1 1151 . 1 1 106 106 HIS C C 13 176.5 0.2 . 1 . . . . . . . . 6244 1 1152 . 1 1 106 106 HIS CA C 13 59.7 0.2 . 1 . . . . . . . . 6244 1 1153 . 1 1 106 106 HIS CB C 13 28.3 0.2 . 1 . . . . . . . . 6244 1 1154 . 1 1 106 106 HIS N N 15 120.9 0.1 . 1 . . . . . . . . 6244 1 1155 . 1 1 107 107 PHE H H 1 7.16 0.02 . 1 . . . . . . . . 6244 1 1156 . 1 1 107 107 PHE HA H 1 4.41 0.02 . 1 . . . . . . . . 6244 1 1157 . 1 1 107 107 PHE HB2 H 1 3.10 0.02 . 2 . . . . . . . . 6244 1 1158 . 1 1 107 107 PHE HB3 H 1 2.05 0.02 . 2 . . . . . . . . 6244 1 1159 . 1 1 107 107 PHE HD1 H 1 6.65 0.02 . 4 . . . . . . . . 6244 1 1160 . 1 1 107 107 PHE HE1 H 1 7.06 0.02 . 4 . . . . . . . . 6244 1 1161 . 1 1 107 107 PHE HZ H 1 7.24 0.02 . 4 . . . . . . . . 6244 1 1162 . 1 1 107 107 PHE C C 13 175.0 0.2 . 1 . . . . . . . . 6244 1 1163 . 1 1 107 107 PHE CA C 13 57.6 0.2 . 1 . . . . . . . . 6244 1 1164 . 1 1 107 107 PHE CB C 13 39.7 0.2 . 1 . . . . . . . . 6244 1 1165 . 1 1 107 107 PHE N N 15 111.2 0.1 . 1 . . . . . . . . 6244 1 1166 . 1 1 108 108 GLY H H 1 7.16 0.02 . 1 . . . . . . . . 6244 1 1167 . 1 1 108 108 GLY HA3 H 1 3.71 0.02 . 2 . . . . . . . . 6244 1 1168 . 1 1 108 108 GLY C C 13 173.7 0.2 . 1 . . . . . . . . 6244 1 1169 . 1 1 108 108 GLY CA C 13 46.1 0.2 . 1 . . . . . . . . 6244 1 1170 . 1 1 108 108 GLY N N 15 106.3 0.1 . 1 . . . . . . . . 6244 1 1171 . 1 1 109 109 PHE H H 1 7.67 0.02 . 1 . . . . . . . . 6244 1 1172 . 1 1 109 109 PHE HA H 1 4.20 0.02 . 1 . . . . . . . . 6244 1 1173 . 1 1 109 109 PHE HB2 H 1 3.21 0.02 . 2 . . . . . . . . 6244 1 1174 . 1 1 109 109 PHE HB3 H 1 2.54 0.02 . 2 . . . . . . . . 6244 1 1175 . 1 1 109 109 PHE HD1 H 1 6.39 0.02 . 4 . . . . . . . . 6244 1 1176 . 1 1 109 109 PHE HE1 H 1 6.82 0.02 . 4 . . . . . . . . 6244 1 1177 . 1 1 109 109 PHE HZ H 1 7.01 0.02 . 4 . . . . . . . . 6244 1 1178 . 1 1 109 109 PHE C C 13 175.3 0.2 . 1 . . . . . . . . 6244 1 1179 . 1 1 109 109 PHE CA C 13 60.1 0.2 . 1 . . . . . . . . 6244 1 1180 . 1 1 109 109 PHE CB C 13 40.1 0.2 . 1 . . . . . . . . 6244 1 1181 . 1 1 109 109 PHE N N 15 118.4 0.1 . 1 . . . . . . . . 6244 1 1182 . 1 1 110 110 LEU H H 1 6.92 0.02 . 1 . . . . . . . . 6244 1 1183 . 1 1 110 110 LEU HA H 1 4.31 0.02 . 1 . . . . . . . . 6244 1 1184 . 1 1 110 110 LEU HB2 H 1 0.79 0.02 . 2 . . . . . . . . 6244 1 1185 . 1 1 110 110 LEU HB3 H 1 0.40 0.02 . 2 . . . . . . . . 6244 1 1186 . 1 1 110 110 LEU HG H 1 0.96 0.02 . 1 . . . . . . . . 6244 1 1187 . 1 1 110 110 LEU HD11 H 1 0.10 0.02 . 1 . . . . . . . . 6244 1 1188 . 1 1 110 110 LEU HD12 H 1 0.10 0.02 . 1 . . . . . . . . 6244 1 1189 . 1 1 110 110 LEU HD13 H 1 0.10 0.02 . 1 . . . . . . . . 6244 1 1190 . 1 1 110 110 LEU HD21 H 1 0.59 0.02 . 1 . . . . . . . . 6244 1 1191 . 1 1 110 110 LEU HD22 H 1 0.59 0.02 . 1 . . . . . . . . 6244 1 1192 . 1 1 110 110 LEU HD23 H 1 0.59 0.02 . 1 . . . . . . . . 6244 1 1193 . 1 1 110 110 LEU C C 13 174.3 0.2 . 1 . . . . . . . . 6244 1 1194 . 1 1 110 110 LEU CA C 13 52.5 0.2 . 1 . . . . . . . . 6244 1 1195 . 1 1 110 110 LEU CB C 13 45.9 0.2 . 1 . . . . . . . . 6244 1 1196 . 1 1 110 110 LEU CG C 13 27.2 0.2 . 1 . . . . . . . . 6244 1 1197 . 1 1 110 110 LEU CD1 C 13 25.1 0.2 . 1 . . . . . . . . 6244 1 1198 . 1 1 110 110 LEU CD2 C 13 23.5 0.2 . 1 . . . . . . . . 6244 1 1199 . 1 1 110 110 LEU N N 15 118.8 0.1 . 1 . . . . . . . . 6244 1 1200 . 1 1 111 111 LYS H H 1 8.18 0.02 . 1 . . . . . . . . 6244 1 1201 . 1 1 111 111 LYS HA H 1 4.29 0.02 . 1 . . . . . . . . 6244 1 1202 . 1 1 111 111 LYS HB2 H 1 1.64 0.02 . 2 . . . . . . . . 6244 1 1203 . 1 1 111 111 LYS HG2 H 1 1.27 0.02 . 2 . . . . . . . . 6244 1 1204 . 1 1 111 111 LYS HD2 H 1 1.51 0.02 . 2 . . . . . . . . 6244 1 1205 . 1 1 111 111 LYS HE2 H 1 2.88 0.02 . 2 . . . . . . . . 6244 1 1206 . 1 1 111 111 LYS C C 13 176.4 0.2 . 1 . . . . . . . . 6244 1 1207 . 1 1 111 111 LYS CA C 13 55.4 0.2 . 1 . . . . . . . . 6244 1 1208 . 1 1 111 111 LYS CB C 13 33.6 0.2 . 1 . . . . . . . . 6244 1 1209 . 1 1 111 111 LYS CG C 13 24.8 0.2 . 1 . . . . . . . . 6244 1 1210 . 1 1 111 111 LYS CD C 13 28.7 0.2 . 1 . . . . . . . . 6244 1 1211 . 1 1 111 111 LYS CE C 13 42.4 0.2 . 1 . . . . . . . . 6244 1 1212 . 1 1 111 111 LYS N N 15 124.4 0.1 . 1 . . . . . . . . 6244 1 1213 . 1 1 112 112 ASP H H 1 9.23 0.02 . 1 . . . . . . . . 6244 1 1214 . 1 1 112 112 ASP HA H 1 4.72 0.02 . 1 . . . . . . . . 6244 1 1215 . 1 1 112 112 ASP HB2 H 1 2.78 0.02 . 2 . . . . . . . . 6244 1 1216 . 1 1 112 112 ASP HB3 H 1 2.26 0.02 . 2 . . . . . . . . 6244 1 1217 . 1 1 112 112 ASP C C 13 176.1 0.2 . 1 . . . . . . . . 6244 1 1218 . 1 1 112 112 ASP CA C 13 53.5 0.2 . 1 . . . . . . . . 6244 1 1219 . 1 1 112 112 ASP CB C 13 42.1 0.2 . 1 . . . . . . . . 6244 1 1220 . 1 1 112 112 ASP N N 15 126.0 0.1 . 1 . . . . . . . . 6244 1 1221 . 1 1 113 113 ASN H H 1 8.70 0.02 . 1 . . . . . . . . 6244 1 1222 . 1 1 113 113 ASN HA H 1 4.57 0.02 . 1 . . . . . . . . 6244 1 1223 . 1 1 113 113 ASN HB2 H 1 2.79 0.02 . 2 . . . . . . . . 6244 1 1224 . 1 1 113 113 ASN C C 13 175.8 0.2 . 1 . . . . . . . . 6244 1 1225 . 1 1 113 113 ASN CA C 13 53.5 0.2 . 1 . . . . . . . . 6244 1 1226 . 1 1 113 113 ASN CB C 13 38.8 0.2 . 1 . . . . . . . . 6244 1 1227 . 1 1 113 113 ASN N N 15 122.8 0.1 . 1 . . . . . . . . 6244 1 1228 . 1 1 114 114 ASN H H 1 8.53 0.02 . 1 . . . . . . . . 6244 1 1229 . 1 1 114 114 ASN HA H 1 4.54 0.02 . 1 . . . . . . . . 6244 1 1230 . 1 1 114 114 ASN HB2 H 1 2.89 0.02 . 2 . . . . . . . . 6244 1 1231 . 1 1 114 114 ASN CA C 13 54.1 0.2 . 1 . . . . . . . . 6244 1 1232 . 1 1 114 114 ASN CB C 13 40.2 0.2 . 1 . . . . . . . . 6244 1 1233 . 1 1 114 114 ASN N N 15 120.6 0.1 . 1 . . . . . . . . 6244 1 1234 . 1 1 115 115 LYS HA H 1 3.98 0.02 . 1 . . . . . . . . 6244 1 1235 . 1 1 115 115 LYS HB2 H 1 1.81 0.02 . 2 . . . . . . . . 6244 1 1236 . 1 1 115 115 LYS HG2 H 1 1.46 0.02 . 2 . . . . . . . . 6244 1 1237 . 1 1 115 115 LYS HD2 H 1 1.62 0.02 . 2 . . . . . . . . 6244 1 1238 . 1 1 115 115 LYS HE2 H 1 2.93 0.02 . 2 . . . . . . . . 6244 1 1239 . 1 1 115 115 LYS C C 13 184.6 0.2 . 1 . . . . . . . . 6244 1 1240 . 1 1 115 115 LYS CA C 13 58.7 0.2 . 1 . . . . . . . . 6244 1 1241 . 1 1 115 115 LYS CB C 13 32.3 0.2 . 1 . . . . . . . . 6244 1 1242 . 1 1 115 115 LYS CG C 13 24.9 0.2 . 1 . . . . . . . . 6244 1 1243 . 1 1 115 115 LYS CD C 13 29.1 0.2 . 1 . . . . . . . . 6244 1 1244 . 1 1 115 115 LYS CE C 13 42.3 0.2 . 1 . . . . . . . . 6244 1 1245 . 1 1 116 116 LYS H H 1 8.36 0.02 . 1 . . . . . . . . 6244 1 1246 . 1 1 116 116 LYS HA H 1 4.14 0.02 . 1 . . . . . . . . 6244 1 1247 . 1 1 116 116 LYS HB2 H 1 1.83 0.02 . 2 . . . . . . . . 6244 1 1248 . 1 1 116 116 LYS HG2 H 1 1.31 0.02 . 2 . . . . . . . . 6244 1 1249 . 1 1 116 116 LYS HD2 H 1 1.57 0.02 . 2 . . . . . . . . 6244 1 1250 . 1 1 116 116 LYS HE2 H 1 2.86 0.02 . 2 . . . . . . . . 6244 1 1251 . 1 1 116 116 LYS C C 13 175.8 0.2 . 1 . . . . . . . . 6244 1 1252 . 1 1 116 116 LYS CA C 13 56.6 0.2 . 1 . . . . . . . . 6244 1 1253 . 1 1 116 116 LYS CB C 13 32.3 0.2 . 1 . . . . . . . . 6244 1 1254 . 1 1 116 116 LYS CG C 13 25.5 0.2 . 1 . . . . . . . . 6244 1 1255 . 1 1 116 116 LYS CD C 13 29.2 0.2 . 1 . . . . . . . . 6244 1 1256 . 1 1 116 116 LYS CE C 13 42.4 0.2 . 1 . . . . . . . . 6244 1 1257 . 1 1 116 116 LYS N N 15 116.9 0.1 . 1 . . . . . . . . 6244 1 1258 . 1 1 117 117 GLN H H 1 8.13 0.02 . 1 . . . . . . . . 6244 1 1259 . 1 1 117 117 GLN HA H 1 3.81 0.02 . 1 . . . . . . . . 6244 1 1260 . 1 1 117 117 GLN HB2 H 1 2.04 0.02 . 2 . . . . . . . . 6244 1 1261 . 1 1 117 117 GLN HB3 H 1 2.00 0.02 . 2 . . . . . . . . 6244 1 1262 . 1 1 117 117 GLN HG2 H 1 2.23 0.02 . 2 . . . . . . . . 6244 1 1263 . 1 1 117 117 GLN C C 13 175.8 0.2 . 1 . . . . . . . . 6244 1 1264 . 1 1 117 117 GLN CA C 13 56.7 0.2 . 1 . . . . . . . . 6244 1 1265 . 1 1 117 117 GLN CB C 13 27.7 0.2 . 1 . . . . . . . . 6244 1 1266 . 1 1 117 117 GLN CG C 13 34.9 0.2 . 1 . . . . . . . . 6244 1 1267 . 1 1 117 117 GLN N N 15 115.4 0.1 . 1 . . . . . . . . 6244 1 1268 . 1 1 118 118 ILE H H 1 6.58 0.02 . 1 . . . . . . . . 6244 1 1269 . 1 1 118 118 ILE HA H 1 3.58 0.02 . 1 . . . . . . . . 6244 1 1270 . 1 1 118 118 ILE HB H 1 1.74 0.02 . 2 . . . . . . . . 6244 1 1271 . 1 1 118 118 ILE HG12 H 1 0.98 0.02 . 2 . . . . . . . . 6244 1 1272 . 1 1 118 118 ILE HG13 H 1 1.34 0.02 . 1 . . . . . . . . 6244 1 1273 . 1 1 118 118 ILE HG21 H 1 0.84 0.02 . 1 . . . . . . . . 6244 1 1274 . 1 1 118 118 ILE HG22 H 1 0.84 0.02 . 1 . . . . . . . . 6244 1 1275 . 1 1 118 118 ILE HG23 H 1 0.84 0.02 . 1 . . . . . . . . 6244 1 1276 . 1 1 118 118 ILE HD11 H 1 0.76 0.02 . 1 . . . . . . . . 6244 1 1277 . 1 1 118 118 ILE HD12 H 1 0.76 0.02 . 1 . . . . . . . . 6244 1 1278 . 1 1 118 118 ILE HD13 H 1 0.76 0.02 . 1 . . . . . . . . 6244 1 1279 . 1 1 118 118 ILE C C 13 178.1 0.2 . 1 . . . . . . . . 6244 1 1280 . 1 1 118 118 ILE CA C 13 64.1 0.2 . 1 . . . . . . . . 6244 1 1281 . 1 1 118 118 ILE CB C 13 38.6 0.2 . 1 . . . . . . . . 6244 1 1282 . 1 1 118 118 ILE CG1 C 13 27.2 0.2 . 2 . . . . . . . . 6244 1 1283 . 1 1 118 118 ILE CG2 C 13 18.7 0.2 . 1 . . . . . . . . 6244 1 1284 . 1 1 118 118 ILE N N 15 110.7 0.1 . 1 . . . . . . . . 6244 1 1285 . 1 1 119 119 ILE H H 1 9.00 0.02 . 1 . . . . . . . . 6244 1 1286 . 1 1 119 119 ILE HA H 1 3.85 0.02 . 1 . . . . . . . . 6244 1 1287 . 1 1 119 119 ILE HB H 1 1.84 0.02 . 1 . . . . . . . . 6244 1 1288 . 1 1 119 119 ILE HG12 H 1 1.48 0.02 . 2 . . . . . . . . 6244 1 1289 . 1 1 119 119 ILE HG13 H 1 1.15 0.02 . 2 . . . . . . . . 6244 1 1290 . 1 1 119 119 ILE HG21 H 1 0.99 0.02 . 1 . . . . . . . . 6244 1 1291 . 1 1 119 119 ILE HG22 H 1 0.99 0.02 . 1 . . . . . . . . 6244 1 1292 . 1 1 119 119 ILE HG23 H 1 0.99 0.02 . 1 . . . . . . . . 6244 1 1293 . 1 1 119 119 ILE HD11 H 1 0.77 0.02 . 1 . . . . . . . . 6244 1 1294 . 1 1 119 119 ILE HD12 H 1 0.77 0.02 . 1 . . . . . . . . 6244 1 1295 . 1 1 119 119 ILE HD13 H 1 0.77 0.02 . 1 . . . . . . . . 6244 1 1296 . 1 1 119 119 ILE C C 13 178.0 0.2 . 1 . . . . . . . . 6244 1 1297 . 1 1 119 119 ILE CA C 13 64.0 0.2 . 1 . . . . . . . . 6244 1 1298 . 1 1 119 119 ILE CB C 13 36.6 0.2 . 1 . . . . . . . . 6244 1 1299 . 1 1 119 119 ILE CG1 C 13 28.0 0.2 . 2 . . . . . . . . 6244 1 1300 . 1 1 119 119 ILE CG2 C 13 18.4 0.2 . 1 . . . . . . . . 6244 1 1301 . 1 1 119 119 ILE CD1 C 13 11.7 0.2 . 1 . . . . . . . . 6244 1 1302 . 1 1 119 119 ILE N N 15 125.3 0.1 . 1 . . . . . . . . 6244 1 1303 . 1 1 120 120 LYS H H 1 8.77 0.02 . 1 . . . . . . . . 6244 1 1304 . 1 1 120 120 LYS HA H 1 3.13 0.02 . 1 . . . . . . . . 6244 1 1305 . 1 1 120 120 LYS HB2 H 1 1.53 0.02 . 2 . . . . . . . . 6244 1 1306 . 1 1 120 120 LYS HB3 H 1 1.15 0.02 . 2 . . . . . . . . 6244 1 1307 . 1 1 120 120 LYS HG2 H 1 1.08 0.02 . 2 . . . . . . . . 6244 1 1308 . 1 1 120 120 LYS HE2 H 1 2.82 0.02 . 2 . . . . . . . . 6244 1 1309 . 1 1 120 120 LYS C C 13 178.9 0.2 . 1 . . . . . . . . 6244 1 1310 . 1 1 120 120 LYS CA C 13 60.7 0.2 . 1 . . . . . . . . 6244 1 1311 . 1 1 120 120 LYS CB C 13 33.3 0.2 . 1 . . . . . . . . 6244 1 1312 . 1 1 120 120 LYS CG C 13 24.8 0.2 . 1 . . . . . . . . 6244 1 1313 . 1 1 120 120 LYS N N 15 122.9 0.1 . 1 . . . . . . . . 6244 1 1314 . 1 1 121 121 LYS H H 1 8.33 0.02 . 1 . . . . . . . . 6244 1 1315 . 1 1 121 121 LYS HA H 1 3.98 0.02 . 1 . . . . . . . . 6244 1 1316 . 1 1 121 121 LYS HB2 H 1 1.74 0.02 . 2 . . . . . . . . 6244 1 1317 . 1 1 121 121 LYS HG2 H 1 1.35 0.02 . 2 . . . . . . . . 6244 1 1318 . 1 1 121 121 LYS HD2 H 1 1.58 0.02 . 2 . . . . . . . . 6244 1 1319 . 1 1 121 121 LYS HE2 H 1 2.85 0.02 . 2 . . . . . . . . 6244 1 1320 . 1 1 121 121 LYS C C 13 179.1 0.2 . 1 . . . . . . . . 6244 1 1321 . 1 1 121 121 LYS CA C 13 59.3 0.2 . 1 . . . . . . . . 6244 1 1322 . 1 1 121 121 LYS CB C 13 32.7 0.2 . 1 . . . . . . . . 6244 1 1323 . 1 1 121 121 LYS CG C 13 25.6 0.2 . 1 . . . . . . . . 6244 1 1324 . 1 1 121 121 LYS CD C 13 29.2 0.2 . 1 . . . . . . . . 6244 1 1325 . 1 1 121 121 LYS CE C 13 42.5 0.2 . 1 . . . . . . . . 6244 1 1326 . 1 1 121 121 LYS N N 15 114.7 0.1 . 1 . . . . . . . . 6244 1 1327 . 1 1 122 122 ALA H H 1 7.50 0.02 . 1 . . . . . . . . 6244 1 1328 . 1 1 122 122 ALA HA H 1 4.11 0.02 . 1 . . . . . . . . 6244 1 1329 . 1 1 122 122 ALA HB1 H 1 1.48 0.02 . 1 . . . . . . . . 6244 1 1330 . 1 1 122 122 ALA HB2 H 1 1.48 0.02 . 1 . . . . . . . . 6244 1 1331 . 1 1 122 122 ALA HB3 H 1 1.48 0.02 . 1 . . . . . . . . 6244 1 1332 . 1 1 122 122 ALA C C 13 180.8 0.2 . 1 . . . . . . . . 6244 1 1333 . 1 1 122 122 ALA CA C 13 55.5 0.2 . 1 . . . . . . . . 6244 1 1334 . 1 1 122 122 ALA CB C 13 18.8 0.2 . 1 . . . . . . . . 6244 1 1335 . 1 1 122 122 ALA N N 15 124.2 0.1 . 1 . . . . . . . . 6244 1 1336 . 1 1 123 123 TYR H H 1 7.85 0.02 . 1 . . . . . . . . 6244 1 1337 . 1 1 123 123 TYR HA H 1 3.97 0.02 . 1 . . . . . . . . 6244 1 1338 . 1 1 123 123 TYR HB2 H 1 2.94 0.02 . 2 . . . . . . . . 6244 1 1339 . 1 1 123 123 TYR HB3 H 1 3.29 0.02 . 2 . . . . . . . . 6244 1 1340 . 1 1 123 123 TYR HD1 H 1 7.07 0.02 . 2 . . . . . . . . 6244 1 1341 . 1 1 123 123 TYR HE1 H 1 6.67 0.02 . 2 . . . . . . . . 6244 1 1342 . 1 1 123 123 TYR C C 13 177.9 0.2 . 1 . . . . . . . . 6244 1 1343 . 1 1 123 123 TYR CA C 13 64.7 0.2 . 1 . . . . . . . . 6244 1 1344 . 1 1 123 123 TYR CB C 13 39.3 0.2 . 1 . . . . . . . . 6244 1 1345 . 1 1 123 123 TYR CD1 C 13 134.0 0.2 . 3 . . . . . . . . 6244 1 1346 . 1 1 123 123 TYR CE2 C 13 119.4 0.2 . 3 . . . . . . . . 6244 1 1347 . 1 1 123 123 TYR N N 15 117.2 0.1 . 1 . . . . . . . . 6244 1 1348 . 1 1 124 124 GLU H H 1 8.34 0.02 . 1 . . . . . . . . 6244 1 1349 . 1 1 124 124 GLU HA H 1 4.09 0.02 . 1 . . . . . . . . 6244 1 1350 . 1 1 124 124 GLU HB2 H 1 2.12 0.02 . 2 . . . . . . . . 6244 1 1351 . 1 1 124 124 GLU HB3 H 1 2.22 0.02 . 2 . . . . . . . . 6244 1 1352 . 1 1 124 124 GLU HG2 H 1 2.47 0.02 . 2 . . . . . . . . 6244 1 1353 . 1 1 124 124 GLU C C 13 178.3 0.2 . 1 . . . . . . . . 6244 1 1354 . 1 1 124 124 GLU CA C 13 59.5 0.2 . 1 . . . . . . . . 6244 1 1355 . 1 1 124 124 GLU CB C 13 29.7 0.2 . 1 . . . . . . . . 6244 1 1356 . 1 1 124 124 GLU CG C 13 36.3 0.2 . 1 . . . . . . . . 6244 1 1357 . 1 1 124 124 GLU N N 15 117.2 0.1 . 1 . . . . . . . . 6244 1 1358 . 1 1 125 125 THR H H 1 8.23 0.02 . 1 . . . . . . . . 6244 1 1359 . 1 1 125 125 THR HA H 1 3.88 0.02 . 1 . . . . . . . . 6244 1 1360 . 1 1 125 125 THR HB H 1 4.16 0.02 . 1 . . . . . . . . 6244 1 1361 . 1 1 125 125 THR HG21 H 1 1.11 0.02 . 1 . . . . . . . . 6244 1 1362 . 1 1 125 125 THR HG22 H 1 1.11 0.02 . 1 . . . . . . . . 6244 1 1363 . 1 1 125 125 THR HG23 H 1 1.11 0.02 . 1 . . . . . . . . 6244 1 1364 . 1 1 125 125 THR C C 13 176.1 0.2 . 1 . . . . . . . . 6244 1 1365 . 1 1 125 125 THR CA C 13 66.9 0.2 . 1 . . . . . . . . 6244 1 1366 . 1 1 125 125 THR CB C 13 69.4 0.2 . 1 . . . . . . . . 6244 1 1367 . 1 1 125 125 THR CG2 C 13 21.2 0.2 . 1 . . . . . . . . 6244 1 1368 . 1 1 125 125 THR N N 15 115.0 0.1 . 1 . . . . . . . . 6244 1 1369 . 1 1 126 126 ILE H H 1 7.37 0.02 . 1 . . . . . . . . 6244 1 1370 . 1 1 126 126 ILE HA H 1 3.49 0.02 . 1 . . . . . . . . 6244 1 1371 . 1 1 126 126 ILE HB H 1 1.82 0.02 . 1 . . . . . . . . 6244 1 1372 . 1 1 126 126 ILE HG12 H 1 1.67 0.02 . 2 . . . . . . . . 6244 1 1373 . 1 1 126 126 ILE HG13 H 1 0.77 0.02 . 2 . . . . . . . . 6244 1 1374 . 1 1 126 126 ILE HG21 H 1 0.29 0.02 . 1 . . . . . . . . 6244 1 1375 . 1 1 126 126 ILE HG22 H 1 0.29 0.02 . 1 . . . . . . . . 6244 1 1376 . 1 1 126 126 ILE HG23 H 1 0.29 0.02 . 1 . . . . . . . . 6244 1 1377 . 1 1 126 126 ILE HD11 H 1 0.55 0.02 . 1 . . . . . . . . 6244 1 1378 . 1 1 126 126 ILE HD12 H 1 0.55 0.02 . 1 . . . . . . . . 6244 1 1379 . 1 1 126 126 ILE HD13 H 1 0.55 0.02 . 1 . . . . . . . . 6244 1 1380 . 1 1 126 126 ILE C C 13 177.8 0.2 . 1 . . . . . . . . 6244 1 1381 . 1 1 126 126 ILE CA C 13 65.8 0.2 . 1 . . . . . . . . 6244 1 1382 . 1 1 126 126 ILE CB C 13 38.0 0.2 . 1 . . . . . . . . 6244 1 1383 . 1 1 126 126 ILE CG1 C 13 29.6 0.2 . 2 . . . . . . . . 6244 1 1384 . 1 1 126 126 ILE CG2 C 13 18.7 0.2 . 1 . . . . . . . . 6244 1 1385 . 1 1 126 126 ILE CD1 C 13 13.7 0.2 . 1 . . . . . . . . 6244 1 1386 . 1 1 126 126 ILE N N 15 121.4 0.1 . 1 . . . . . . . . 6244 1 1387 . 1 1 127 127 ALA H H 1 8.02 0.02 . 1 . . . . . . . . 6244 1 1388 . 1 1 127 127 ALA HA H 1 3.59 0.02 . 1 . . . . . . . . 6244 1 1389 . 1 1 127 127 ALA HB1 H 1 0.74 0.02 . 1 . . . . . . . . 6244 1 1390 . 1 1 127 127 ALA HB2 H 1 0.74 0.02 . 1 . . . . . . . . 6244 1 1391 . 1 1 127 127 ALA HB3 H 1 0.74 0.02 . 1 . . . . . . . . 6244 1 1392 . 1 1 127 127 ALA C C 13 179.2 0.2 . 1 . . . . . . . . 6244 1 1393 . 1 1 127 127 ALA CA C 13 56.0 0.2 . 1 . . . . . . . . 6244 1 1394 . 1 1 127 127 ALA CB C 13 18.4 0.2 . 1 . . . . . . . . 6244 1 1395 . 1 1 127 127 ALA N N 15 122.1 0.1 . 1 . . . . . . . . 6244 1 1396 . 1 1 128 128 ASP H H 1 8.37 0.02 . 1 . . . . . . . . 6244 1 1397 . 1 1 128 128 ASP HA H 1 4.10 0.02 . 1 . . . . . . . . 6244 1 1398 . 1 1 128 128 ASP HB2 H 1 2.88 0.02 . 2 . . . . . . . . 6244 1 1399 . 1 1 128 128 ASP HB3 H 1 2.63 0.02 . 2 . . . . . . . . 6244 1 1400 . 1 1 128 128 ASP C C 13 178.2 0.2 . 1 . . . . . . . . 6244 1 1401 . 1 1 128 128 ASP CA C 13 57.6 0.2 . 1 . . . . . . . . 6244 1 1402 . 1 1 128 128 ASP CB C 13 39.9 0.2 . 1 . . . . . . . . 6244 1 1403 . 1 1 128 128 ASP N N 15 117.8 0.1 . 1 . . . . . . . . 6244 1 1404 . 1 1 129 129 ASN H H 1 8.00 0.02 . 1 . . . . . . . . 6244 1 1405 . 1 1 129 129 ASN HA H 1 4.43 0.02 . 1 . . . . . . . . 6244 1 1406 . 1 1 129 129 ASN HB2 H 1 2.97 0.02 . 2 . . . . . . . . 6244 1 1407 . 1 1 129 129 ASN HB3 H 1 2.44 0.02 . 2 . . . . . . . . 6244 1 1408 . 1 1 129 129 ASN C C 13 179.4 0.2 . 1 . . . . . . . . 6244 1 1409 . 1 1 129 129 ASN CA C 13 55.7 0.2 . 1 . . . . . . . . 6244 1 1410 . 1 1 129 129 ASN CB C 13 37.5 0.2 . 1 . . . . . . . . 6244 1 1411 . 1 1 129 129 ASN N N 15 118.7 0.1 . 1 . . . . . . . . 6244 1 1412 . 1 1 130 130 ILE H H 1 8.48 0.02 . 1 . . . . . . . . 6244 1 1413 . 1 1 130 130 ILE HA H 1 3.51 0.02 . 1 . . . . . . . . 6244 1 1414 . 1 1 130 130 ILE HB H 1 1.92 0.02 . 1 . . . . . . . . 6244 1 1415 . 1 1 130 130 ILE HG12 H 1 1.62 0.02 . 1 . . . . . . . . 6244 1 1416 . 1 1 130 130 ILE HG13 H 1 0.80 0.02 . 1 . . . . . . . . 6244 1 1417 . 1 1 130 130 ILE HG21 H 1 0.81 0.02 . 1 . . . . . . . . 6244 1 1418 . 1 1 130 130 ILE HG22 H 1 0.81 0.02 . 1 . . . . . . . . 6244 1 1419 . 1 1 130 130 ILE HG23 H 1 0.81 0.02 . 1 . . . . . . . . 6244 1 1420 . 1 1 130 130 ILE HD11 H 1 0.39 0.02 . 1 . . . . . . . . 6244 1 1421 . 1 1 130 130 ILE HD12 H 1 0.39 0.02 . 1 . . . . . . . . 6244 1 1422 . 1 1 130 130 ILE HD13 H 1 0.39 0.02 . 1 . . . . . . . . 6244 1 1423 . 1 1 130 130 ILE C C 13 176.5 0.2 . 1 . . . . . . . . 6244 1 1424 . 1 1 130 130 ILE CA C 13 65.9 0.2 . 1 . . . . . . . . 6244 1 1425 . 1 1 130 130 ILE CB C 13 38.0 0.2 . 1 . . . . . . . . 6244 1 1426 . 1 1 130 130 ILE CG1 C 13 29.2 0.2 . 2 . . . . . . . . 6244 1 1427 . 1 1 130 130 ILE CG2 C 13 17.3 0.2 . 1 . . . . . . . . 6244 1 1428 . 1 1 130 130 ILE CD1 C 13 14.1 0.2 . 1 . . . . . . . . 6244 1 1429 . 1 1 130 130 ILE N N 15 123.2 0.1 . 1 . . . . . . . . 6244 1 1430 . 1 1 131 131 ALA H H 1 8.56 0.02 . 1 . . . . . . . . 6244 1 1431 . 1 1 131 131 ALA HA H 1 4.02 0.02 . 1 . . . . . . . . 6244 1 1432 . 1 1 131 131 ALA HB1 H 1 1.41 0.02 . 1 . . . . . . . . 6244 1 1433 . 1 1 131 131 ALA HB2 H 1 1.41 0.02 . 1 . . . . . . . . 6244 1 1434 . 1 1 131 131 ALA HB3 H 1 1.41 0.02 . 1 . . . . . . . . 6244 1 1435 . 1 1 131 131 ALA C C 13 180.0 0.2 . 1 . . . . . . . . 6244 1 1436 . 1 1 131 131 ALA CA C 13 55.6 0.2 . 1 . . . . . . . . 6244 1 1437 . 1 1 131 131 ALA CB C 13 18.6 0.2 . 1 . . . . . . . . 6244 1 1438 . 1 1 131 131 ALA N N 15 122.6 0.1 . 1 . . . . . . . . 6244 1 1439 . 1 1 132 132 ASP H H 1 8.33 0.02 . 1 . . . . . . . . 6244 1 1440 . 1 1 132 132 ASP HA H 1 4.31 0.02 . 1 . . . . . . . . 6244 1 1441 . 1 1 132 132 ASP HB2 H 1 2.75 0.02 . 2 . . . . . . . . 6244 1 1442 . 1 1 132 132 ASP HB3 H 1 2.62 0.02 . 2 . . . . . . . . 6244 1 1443 . 1 1 132 132 ASP C C 13 178.7 0.2 . 1 . . . . . . . . 6244 1 1444 . 1 1 132 132 ASP CA C 13 57.4 0.2 . 1 . . . . . . . . 6244 1 1445 . 1 1 132 132 ASP CB C 13 40.9 0.2 . 1 . . . . . . . . 6244 1 1446 . 1 1 132 132 ASP N N 15 117.5 0.1 . 1 . . . . . . . . 6244 1 1447 . 1 1 133 133 TYR H H 1 7.51 0.02 . 1 . . . . . . . . 6244 1 1448 . 1 1 133 133 TYR HA H 1 4.31 0.02 . 1 . . . . . . . . 6244 1 1449 . 1 1 133 133 TYR HB2 H 1 3.18 0.02 . 2 . . . . . . . . 6244 1 1450 . 1 1 133 133 TYR HB3 H 1 3.08 0.02 . 2 . . . . . . . . 6244 1 1451 . 1 1 133 133 TYR HD1 H 1 6.92 0.02 . 2 . . . . . . . . 6244 1 1452 . 1 1 133 133 TYR HE1 H 1 6.62 0.02 . 2 . . . . . . . . 6244 1 1453 . 1 1 133 133 TYR C C 13 177.6 0.2 . 1 . . . . . . . . 6244 1 1454 . 1 1 133 133 TYR CA C 13 60.1 0.2 . 1 . . . . . . . . 6244 1 1455 . 1 1 133 133 TYR CB C 13 38.0 0.2 . 1 . . . . . . . . 6244 1 1456 . 1 1 133 133 TYR CD1 C 13 133.9 0.2 . 3 . . . . . . . . 6244 1 1457 . 1 1 133 133 TYR CE1 C 13 118.7 0.2 . 3 . . . . . . . . 6244 1 1458 . 1 1 133 133 TYR N N 15 120.4 0.1 . 1 . . . . . . . . 6244 1 1459 . 1 1 134 134 LEU H H 1 8.02 0.02 . 1 . . . . . . . . 6244 1 1460 . 1 1 134 134 LEU HA H 1 3.62 0.02 . 1 . . . . . . . . 6244 1 1461 . 1 1 134 134 LEU HB2 H 1 1.40 0.02 . 2 . . . . . . . . 6244 1 1462 . 1 1 134 134 LEU HB3 H 1 1.60 0.02 . 2 . . . . . . . . 6244 1 1463 . 1 1 134 134 LEU HG H 1 1.81 0.02 . 1 . . . . . . . . 6244 1 1464 . 1 1 134 134 LEU HD11 H 1 0.74 0.02 . 1 . . . . . . . . 6244 1 1465 . 1 1 134 134 LEU HD12 H 1 0.74 0.02 . 1 . . . . . . . . 6244 1 1466 . 1 1 134 134 LEU HD13 H 1 0.74 0.02 . 1 . . . . . . . . 6244 1 1467 . 1 1 134 134 LEU HD21 H 1 0.74 0.02 . 1 . . . . . . . . 6244 1 1468 . 1 1 134 134 LEU HD22 H 1 0.74 0.02 . 1 . . . . . . . . 6244 1 1469 . 1 1 134 134 LEU HD23 H 1 0.74 0.02 . 1 . . . . . . . . 6244 1 1470 . 1 1 134 134 LEU C C 13 178.1 0.2 . 1 . . . . . . . . 6244 1 1471 . 1 1 134 134 LEU CA C 13 56.3 0.2 . 1 . . . . . . . . 6244 1 1472 . 1 1 134 134 LEU CB C 13 41.2 0.2 . 1 . . . . . . . . 6244 1 1473 . 1 1 134 134 LEU CG C 13 26.8 0.2 . 1 . . . . . . . . 6244 1 1474 . 1 1 134 134 LEU CD1 C 13 27.2 0.2 . 1 . . . . . . . . 6244 1 1475 . 1 1 134 134 LEU CD2 C 13 22.7 0.2 . 1 . . . . . . . . 6244 1 1476 . 1 1 134 134 LEU N N 15 119.3 0.1 . 1 . . . . . . . . 6244 1 1477 . 1 1 135 135 ASN H H 1 7.66 0.02 . 1 . . . . . . . . 6244 1 1478 . 1 1 135 135 ASN HA H 1 4.56 0.02 . 1 . . . . . . . . 6244 1 1479 . 1 1 135 135 ASN HB2 H 1 2.78 0.02 . 2 . . . . . . . . 6244 1 1480 . 1 1 135 135 ASN C C 13 175.4 0.2 . 1 . . . . . . . . 6244 1 1481 . 1 1 135 135 ASN CA C 13 53.8 0.2 . 1 . . . . . . . . 6244 1 1482 . 1 1 135 135 ASN CB C 13 39.2 0.2 . 1 . . . . . . . . 6244 1 1483 . 1 1 135 135 ASN N N 15 116.7 0.1 . 1 . . . . . . . . 6244 1 1484 . 1 1 136 136 GLU H H 1 7.54 0.02 . 1 . . . . . . . . 6244 1 1485 . 1 1 136 136 GLU HA H 1 4.17 0.02 . 1 . . . . . . . . 6244 1 1486 . 1 1 136 136 GLU HB2 H 1 1.86 0.02 . 2 . . . . . . . . 6244 1 1487 . 1 1 136 136 GLU HB3 H 1 1.96 0.02 . 2 . . . . . . . . 6244 1 1488 . 1 1 136 136 GLU HG2 H 1 2.19 0.02 . 2 . . . . . . . . 6244 1 1489 . 1 1 136 136 GLU HG3 H 1 2.30 0.02 . 2 . . . . . . . . 6244 1 1490 . 1 1 136 136 GLU C C 13 175.4 0.2 . 1 . . . . . . . . 6244 1 1491 . 1 1 136 136 GLU CA C 13 56.7 0.2 . 1 . . . . . . . . 6244 1 1492 . 1 1 136 136 GLU CB C 13 30.2 0.2 . 1 . . . . . . . . 6244 1 1493 . 1 1 136 136 GLU CG C 13 36.2 0.2 . 1 . . . . . . . . 6244 1 1494 . 1 1 136 136 GLU N N 15 120.3 0.1 . 1 . . . . . . . . 6244 1 1495 . 1 1 137 137 ASN H H 1 7.68 0.02 . 1 . . . . . . . . 6244 1 1496 . 1 1 137 137 ASN HA H 1 4.36 0.02 . 1 . . . . . . . . 6244 1 1497 . 1 1 137 137 ASN HB2 H 1 2.57 0.02 . 2 . . . . . . . . 6244 1 1498 . 1 1 137 137 ASN HB3 H 1 2.38 0.02 . 2 . . . . . . . . 6244 1 1499 . 1 1 137 137 ASN CA C 13 54.8 0.2 . 1 . . . . . . . . 6244 1 1500 . 1 1 137 137 ASN CB C 13 41.0 0.2 . 1 . . . . . . . . 6244 1 1501 . 1 1 137 137 ASN N N 15 124.9 0.1 . 1 . . . . . . . . 6244 1 stop_ save_