data_15715 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15715 _Entry.Title ; NMR Assignments of Methionine Sulfoxide Reductase B2 from Homo sapiens ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-04-03 _Entry.Accession_date 2008-04-03 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.112 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Aashild Breivik . S. . 15715 2 Finn Aachmann . L. . 15715 3 Alexander Dikiy . . . 15715 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15715 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 516 15715 '15N chemical shifts' 132 15715 '1H chemical shifts' 812 15715 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 3 . . 2009-08-13 2008-04-03 update BMRB 'added PubMed ID' 15715 2 . . 2008-12-03 2008-04-03 update BMRB 'complete entry citation' 15715 1 . . 2008-10-15 2008-04-03 original author 'original release' 15715 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15715 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19636904 _Citation.Full_citation . _Citation.Title '1H, 15N and 13C NMR assignments of mouse methionine sulfoxide reductase B2' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR Assignments' _Citation.Journal_volume 2 _Citation.Journal_issue 2 _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 199 _Citation.Page_last 201 _Citation.Year 2008 _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 Aashild Breivik . S. . 15715 1 2 Finn Aachmann . L. . 15715 1 3 Lena Sal . S. . 15715 1 4 Hwa-Young Kim . . . 15715 1 5 Rebecca 'Del Conte' . . . 15715 1 6 Vadim Gladyshev . N. . 15715 1 7 Alexander Dikiy . . . 15715 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Methionine sulfoxide reductase' 15715 1 MsrB/MsrB2 15715 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15715 _Assembly.ID 1 _Assembly.Name MsrB2dS _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 16066 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 MsrB2dS 1 $Methionine_Sulfoxide_Reductase_B2 A . yes native no no . . . 15715 1 2 'Zinc ion' 2 $ZN B . no native no no . . . 15715 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Methionine-R-sulfoxide reductase' 15715 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Methionine_Sulfoxide_Reductase_B2 _Entity.Sf_category entity _Entity.Sf_framecode Methionine_Sulfoxide_Reductase_B2 _Entity.Entry_ID 15715 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Methionine_Sulfoxide_Reductase_B2 _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 ; MADWQKKLTPEQFYVTREKG TEAPFSGMYLNNKETGMYHC VCCDSPLFSSEKKYCSGTGW PSFSEAYGSKGSDESHTGIL RRLDTSLGCPRMEVVCKQCE AHLGHVFPDGPKPTGQRFCI NSVALKFKPSKPAAALEHHH HHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'The N-terminal signal from MsrB2 was removed (1-39). Met residue was added on the N-terminal and His-tag was added C-terminal (157-166)' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 143 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 2L1U . "Structure-Functional Analysis Of Mammalian Msrb2 Protein" . . . . . 100.00 143 100.00 100.00 6.08e-102 . . . . 15715 1 2 no GB AAH21619 . "Methionine sulfoxide reductase B2 [Mus musculus]" . . . . . 91.61 175 100.00 100.00 7.72e-93 . . . . 15715 1 3 no GB AAH98953 . "Methionine sulfoxide reductase B2 [Rattus norvegicus]" . . . . . 91.61 174 96.95 98.47 2.42e-89 . . . . 15715 1 4 no GB EDL08114 . "methionine sulfoxide reductase B2 [Mus musculus]" . . . . . 91.61 175 100.00 100.00 7.72e-93 . . . . 15715 1 5 no GB EDL78778 . "methionine sulfoxide reductase B2 [Rattus norvegicus]" . . . . . 91.61 174 96.95 98.47 2.42e-89 . . . . 15715 1 6 no REF NP_001026830 . "methionine-R-sulfoxide reductase B2, mitochondrial precursor [Rattus norvegicus]" . . . . . 91.61 174 96.95 98.47 2.42e-89 . . . . 15715 1 7 no REF NP_083895 . "methionine-R-sulfoxide reductase B2, mitochondrial precursor [Mus musculus]" . . . . . 91.61 175 100.00 100.00 7.72e-93 . . . . 15715 1 8 no REF XP_006497626 . "PREDICTED: methionine-R-sulfoxide reductase B2, mitochondrial isoform X1 [Mus musculus]" . . . . . 91.61 147 100.00 100.00 2.26e-92 . . . . 15715 1 9 no SP Q4FZX5 . "RecName: Full=Methionine-R-sulfoxide reductase B2, mitochondrial; Short=MsrB2; Flags: Precursor" . . . . . 91.61 174 96.95 98.47 2.42e-89 . . . . 15715 1 10 no SP Q78J03 . "RecName: Full=Methionine-R-sulfoxide reductase B2, mitochondrial; Short=MsrB2; Flags: Precursor" . . . . . 91.61 175 100.00 100.00 7.72e-93 . . . . 15715 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 . 15715 1 2 . ALA . 15715 1 3 . ASP . 15715 1 4 . TRP . 15715 1 5 . GLN . 15715 1 6 . LYS . 15715 1 7 . LYS . 15715 1 8 . LEU . 15715 1 9 . THR . 15715 1 10 . PRO . 15715 1 11 . GLU . 15715 1 12 . GLN . 15715 1 13 . PHE . 15715 1 14 . TYR . 15715 1 15 . VAL . 15715 1 16 . THR . 15715 1 17 . ARG . 15715 1 18 . GLU . 15715 1 19 . LYS . 15715 1 20 . GLY . 15715 1 21 . THR . 15715 1 22 . GLU . 15715 1 23 . ALA . 15715 1 24 . PRO . 15715 1 25 . PHE . 15715 1 26 . SER . 15715 1 27 . GLY . 15715 1 28 . MET . 15715 1 29 . TYR . 15715 1 30 . LEU . 15715 1 31 . ASN . 15715 1 32 . ASN . 15715 1 33 . LYS . 15715 1 34 . GLU . 15715 1 35 . THR . 15715 1 36 . GLY . 15715 1 37 . MET . 15715 1 38 . TYR . 15715 1 39 . HIS . 15715 1 40 . CYS . 15715 1 41 . VAL . 15715 1 42 . CYS . 15715 1 43 . CYS . 15715 1 44 . ASP . 15715 1 45 . SER . 15715 1 46 . PRO . 15715 1 47 . LEU . 15715 1 48 . PHE . 15715 1 49 . SER . 15715 1 50 . SER . 15715 1 51 . GLU . 15715 1 52 . LYS . 15715 1 53 . LYS . 15715 1 54 . TYR . 15715 1 55 . CYS . 15715 1 56 . SER . 15715 1 57 . GLY . 15715 1 58 . THR . 15715 1 59 . GLY . 15715 1 60 . TRP . 15715 1 61 . PRO . 15715 1 62 . SER . 15715 1 63 . PHE . 15715 1 64 . SER . 15715 1 65 . GLU . 15715 1 66 . ALA . 15715 1 67 . TYR . 15715 1 68 . GLY . 15715 1 69 . SER . 15715 1 70 . LYS . 15715 1 71 . GLY . 15715 1 72 . SER . 15715 1 73 . ASP . 15715 1 74 . GLU . 15715 1 75 . SER . 15715 1 76 . HIS . 15715 1 77 . THR . 15715 1 78 . GLY . 15715 1 79 . ILE . 15715 1 80 . LEU . 15715 1 81 . ARG . 15715 1 82 . ARG . 15715 1 83 . LEU . 15715 1 84 . ASP . 15715 1 85 . THR . 15715 1 86 . SER . 15715 1 87 . LEU . 15715 1 88 . GLY . 15715 1 89 . CYS . 15715 1 90 . PRO . 15715 1 91 . ARG . 15715 1 92 . MET . 15715 1 93 . GLU . 15715 1 94 . VAL . 15715 1 95 . VAL . 15715 1 96 . CYS . 15715 1 97 . LYS . 15715 1 98 . GLN . 15715 1 99 . CYS . 15715 1 100 . GLU . 15715 1 101 . ALA . 15715 1 102 . HIS . 15715 1 103 . LEU . 15715 1 104 . GLY . 15715 1 105 . HIS . 15715 1 106 . VAL . 15715 1 107 . PHE . 15715 1 108 . PRO . 15715 1 109 . ASP . 15715 1 110 . GLY . 15715 1 111 . PRO . 15715 1 112 . LYS . 15715 1 113 . PRO . 15715 1 114 . THR . 15715 1 115 . GLY . 15715 1 116 . GLN . 15715 1 117 . ARG . 15715 1 118 . PHE . 15715 1 119 . CYS . 15715 1 120 . ILE . 15715 1 121 . ASN . 15715 1 122 . SER . 15715 1 123 . VAL . 15715 1 124 . ALA . 15715 1 125 . LEU . 15715 1 126 . LYS . 15715 1 127 . PHE . 15715 1 128 . LYS . 15715 1 129 . PRO . 15715 1 130 . SER . 15715 1 131 . LYS . 15715 1 132 . PRO . 15715 1 133 . ALA . 15715 1 134 . ALA . 15715 1 135 . ALA . 15715 1 136 . LEU . 15715 1 137 . GLU . 15715 1 138 . HIS . 15715 1 139 . HIS . 15715 1 140 . HIS . 15715 1 141 . HIS . 15715 1 142 . HIS . 15715 1 143 . HIS . 15715 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 15715 1 . ALA 2 2 15715 1 . ASP 3 3 15715 1 . TRP 4 4 15715 1 . GLN 5 5 15715 1 . LYS 6 6 15715 1 . LYS 7 7 15715 1 . LEU 8 8 15715 1 . THR 9 9 15715 1 . PRO 10 10 15715 1 . GLU 11 11 15715 1 . GLN 12 12 15715 1 . PHE 13 13 15715 1 . TYR 14 14 15715 1 . VAL 15 15 15715 1 . THR 16 16 15715 1 . ARG 17 17 15715 1 . GLU 18 18 15715 1 . LYS 19 19 15715 1 . GLY 20 20 15715 1 . THR 21 21 15715 1 . GLU 22 22 15715 1 . ALA 23 23 15715 1 . PRO 24 24 15715 1 . PHE 25 25 15715 1 . SER 26 26 15715 1 . GLY 27 27 15715 1 . MET 28 28 15715 1 . TYR 29 29 15715 1 . LEU 30 30 15715 1 . ASN 31 31 15715 1 . ASN 32 32 15715 1 . LYS 33 33 15715 1 . GLU 34 34 15715 1 . THR 35 35 15715 1 . GLY 36 36 15715 1 . MET 37 37 15715 1 . TYR 38 38 15715 1 . HIS 39 39 15715 1 . CYS 40 40 15715 1 . VAL 41 41 15715 1 . CYS 42 42 15715 1 . CYS 43 43 15715 1 . ASP 44 44 15715 1 . SER 45 45 15715 1 . PRO 46 46 15715 1 . LEU 47 47 15715 1 . PHE 48 48 15715 1 . SER 49 49 15715 1 . SER 50 50 15715 1 . GLU 51 51 15715 1 . LYS 52 52 15715 1 . LYS 53 53 15715 1 . TYR 54 54 15715 1 . CYS 55 55 15715 1 . SER 56 56 15715 1 . GLY 57 57 15715 1 . THR 58 58 15715 1 . GLY 59 59 15715 1 . TRP 60 60 15715 1 . PRO 61 61 15715 1 . SER 62 62 15715 1 . PHE 63 63 15715 1 . SER 64 64 15715 1 . GLU 65 65 15715 1 . ALA 66 66 15715 1 . TYR 67 67 15715 1 . GLY 68 68 15715 1 . SER 69 69 15715 1 . LYS 70 70 15715 1 . GLY 71 71 15715 1 . SER 72 72 15715 1 . ASP 73 73 15715 1 . GLU 74 74 15715 1 . SER 75 75 15715 1 . HIS 76 76 15715 1 . THR 77 77 15715 1 . GLY 78 78 15715 1 . ILE 79 79 15715 1 . LEU 80 80 15715 1 . ARG 81 81 15715 1 . ARG 82 82 15715 1 . LEU 83 83 15715 1 . ASP 84 84 15715 1 . THR 85 85 15715 1 . SER 86 86 15715 1 . LEU 87 87 15715 1 . GLY 88 88 15715 1 . CYS 89 89 15715 1 . PRO 90 90 15715 1 . ARG 91 91 15715 1 . MET 92 92 15715 1 . GLU 93 93 15715 1 . VAL 94 94 15715 1 . VAL 95 95 15715 1 . CYS 96 96 15715 1 . LYS 97 97 15715 1 . GLN 98 98 15715 1 . CYS 99 99 15715 1 . GLU 100 100 15715 1 . ALA 101 101 15715 1 . HIS 102 102 15715 1 . LEU 103 103 15715 1 . GLY 104 104 15715 1 . HIS 105 105 15715 1 . VAL 106 106 15715 1 . PHE 107 107 15715 1 . PRO 108 108 15715 1 . ASP 109 109 15715 1 . GLY 110 110 15715 1 . PRO 111 111 15715 1 . LYS 112 112 15715 1 . PRO 113 113 15715 1 . THR 114 114 15715 1 . GLY 115 115 15715 1 . GLN 116 116 15715 1 . ARG 117 117 15715 1 . PHE 118 118 15715 1 . CYS 119 119 15715 1 . ILE 120 120 15715 1 . ASN 121 121 15715 1 . SER 122 122 15715 1 . VAL 123 123 15715 1 . ALA 124 124 15715 1 . LEU 125 125 15715 1 . LYS 126 126 15715 1 . PHE 127 127 15715 1 . LYS 128 128 15715 1 . PRO 129 129 15715 1 . SER 130 130 15715 1 . LYS 131 131 15715 1 . PRO 132 132 15715 1 . ALA 133 133 15715 1 . ALA 134 134 15715 1 . ALA 135 135 15715 1 . LEU 136 136 15715 1 . GLU 137 137 15715 1 . HIS 138 138 15715 1 . HIS 139 139 15715 1 . HIS 140 140 15715 1 . HIS 141 141 15715 1 . HIS 142 142 15715 1 . HIS 143 143 15715 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 15715 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . ZN . 15715 2 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 15715 _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 $Methionine_Sulfoxide_Reductase_B2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . 22921 . HGNC:17061 . . 15715 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 15715 _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 $Methionine_Sulfoxide_Reductase_B2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli ER2566 . . . . . . . . . . . . . . . pMsrb2ds . . . . . . 15715 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 15715 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code ZN _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 21:22:05 2008 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1/Zn/q+2 InChI InChI 1.01 15715 ZN [Zn++] SMILES CACTVS 3.341 15715 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 15715 ZN [Zn+2] SMILES ACDLabs 10.04 15715 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 15715 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 15715 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 15715 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 15715 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN . ZN . . ZN . N . 2 . . . . no no . . . . . . . . . . . . . . . 15715 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_D2O_MsrB2dS _Sample.Sf_category sample _Sample.Sf_framecode D2O_MsrB2dS _Sample.Entry_ID 15715 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Methionine Sulfoxide Reductase B2' '[U-98% 13C; U-98% 15N]' . . 1 $Methionine_Sulfoxide_Reductase_B2 . . 1.1 . . mM 0.1 . . . 15715 1 2 'Zinc ion' 'natural abundance' . . 2 $ZN . . 1.1 . . mM 0.1 . . . 15715 1 3 DTT 'natural abundance' . . . . . . 5 . . mM 0.1 . . . 15715 1 4 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM 0.5 . . . 15715 1 5 'sodium chloride' 'natural abundance' . . . . . . 25 . . mM 0.5 . . . 15715 1 stop_ save_ save_H2O_MsrB2dS _Sample.Sf_category sample _Sample.Sf_framecode H2O_MsrB2dS _Sample.Entry_ID 15715 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Methionine Sulfoxide Reductase B2' '[U-98% 13C; U-98% 15N]' . . 1 $Methionine_Sulfoxide_Reductase_B2 . . 1.1 . . mM 0.1 . . . 15715 2 2 'Zinc ion' 'natural abundance' . . 2 $ZN . . 1.1 . . mM 0.1 . . . 15715 2 3 DTT 'natural abundance' . . . . . . 5 . . mM 0.1 . . . 15715 2 4 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM 0.5 . . . 15715 2 5 'sodium chloride' 'natural abundance' . . . . . . 25 . . mM 0.5 . . . 15715 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15715 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.06 0.01 M 15715 1 pH 5.5 0.1 pH 15715 1 pressure 1 . atm 15715 1 temperature 298 0.5 K 15715 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 15715 _Software.ID 1 _Software.Name CARA _Software.Version 1.8.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 15715 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15715 1 'data analysis' 15715 1 stop_ save_ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 15715 _Software.ID 2 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15715 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15715 2 processing 15715 2 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 15715 _Software.ID 3 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 15715 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15715 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15715 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details Cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15715 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details Cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15715 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 Cryoprobe . . 15715 1 2 spectrometer_2 Bruker Avance . 800 Cryoprobe . . 15715 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 15715 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $H2O_MsrB2dS isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15715 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $D2O_MsrB2dS isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15715 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $H2O_MsrB2dS isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15715 1 4 '3D HNCO' no . . . . . . . . . . 2 $H2O_MsrB2dS isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15715 1 5 '3D HNCA' no . . . . . . . . . . 2 $H2O_MsrB2dS isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15715 1 6 '3D HNCACB' no . . . . . . . . . . 2 $H2O_MsrB2dS isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15715 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $H2O_MsrB2dS isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15715 1 8 '3D HN(CO)CA' no . . . . . . . . . . 2 $H2O_MsrB2dS isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15715 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $D2O_MsrB2dS isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15715 1 10 '3D HCCH-COSY' no . . . . . . . . . . 1 $D2O_MsrB2dS isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15715 1 11 '3D 15N HSQC NOESY' no . . . . . . . . . . 1 $D2O_MsrB2dS isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15715 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15715 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 15715 1 H 1 water protons . . . . ppm 4.75 internal direct 1 . . . . . . . . . 15715 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect 0.101329118 . . . . . . . . . 15715 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15715 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15715 1 2 '2D 1H-13C HSQC' . . . 15715 1 3 '3D CBCA(CO)NH' . . . 15715 1 4 '3D HNCO' . . . 15715 1 5 '3D HNCA' . . . 15715 1 6 '3D HNCACB' . . . 15715 1 7 '3D HBHA(CO)NH' . . . 15715 1 8 '3D HN(CO)CA' . . . 15715 1 9 '3D HCCH-TOCSY' . . . 15715 1 10 '3D HCCH-COSY' . . . 15715 1 11 '3D 15N HSQC NOESY' . . . 15715 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CARA . . 15715 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ALA H H 1 8.10 0.02 . 1 . . . . 2 ALA H . 15715 1 2 . 1 1 2 2 ALA HA H 1 3.97 0.02 . 1 . . . . 2 ALA HA . 15715 1 3 . 1 1 2 2 ALA HB1 H 1 0.87 0.02 . 1 . . . . 2 ALA HB . 15715 1 4 . 1 1 2 2 ALA HB2 H 1 0.87 0.02 . 1 . . . . 2 ALA HB . 15715 1 5 . 1 1 2 2 ALA HB3 H 1 0.87 0.02 . 1 . . . . 2 ALA HB . 15715 1 6 . 1 1 2 2 ALA C C 13 176.8 0.3 . 1 . . . . 2 ALA C . 15715 1 7 . 1 1 2 2 ALA CA C 13 51.5 0.3 . 1 . . . . 2 ALA CA . 15715 1 8 . 1 1 2 2 ALA CB C 13 18.7 0.3 . 1 . . . . 2 ALA CB . 15715 1 9 . 1 1 2 2 ALA N N 15 125.2 0.3 . 1 . . . . 2 ALA N . 15715 1 10 . 1 1 3 3 ASP H H 1 8.02 0.02 . 1 . . . . 3 ASP H . 15715 1 11 . 1 1 3 3 ASP HA H 1 4.69 0.02 . 1 . . . . 3 ASP HA . 15715 1 12 . 1 1 3 3 ASP HB2 H 1 2.71 0.02 . 2 . . . . 3 ASP HB2 . 15715 1 13 . 1 1 3 3 ASP HB3 H 1 2.43 0.02 . 2 . . . . 3 ASP HB3 . 15715 1 14 . 1 1 3 3 ASP C C 13 176.9 0.3 . 1 . . . . 3 ASP C . 15715 1 15 . 1 1 3 3 ASP CA C 13 53.2 0.3 . 1 . . . . 3 ASP CA . 15715 1 16 . 1 1 3 3 ASP CB C 13 40.1 0.3 . 1 . . . . 3 ASP CB . 15715 1 17 . 1 1 3 3 ASP N N 15 119.6 0.3 . 1 . . . . 3 ASP N . 15715 1 18 . 1 1 4 4 TRP H H 1 8.00 0.02 . 1 . . . . 4 TRP H . 15715 1 19 . 1 1 4 4 TRP HA H 1 4.52 0.02 . 1 . . . . 4 TRP HA . 15715 1 20 . 1 1 4 4 TRP HB2 H 1 3.59 0.02 . 2 . . . . 4 TRP HB2 . 15715 1 21 . 1 1 4 4 TRP HB3 H 1 3.35 0.02 . 2 . . . . 4 TRP HB3 . 15715 1 22 . 1 1 4 4 TRP HD1 H 1 7.40 0.02 . 1 . . . . 4 TRP HD1 . 15715 1 23 . 1 1 4 4 TRP C C 13 177.5 0.3 . 1 . . . . 4 TRP C . 15715 1 24 . 1 1 4 4 TRP CA C 13 59.3 0.3 . 1 . . . . 4 TRP CA . 15715 1 25 . 1 1 4 4 TRP CB C 13 29.8 0.3 . 1 . . . . 4 TRP CB . 15715 1 26 . 1 1 4 4 TRP N N 15 122.9 0.3 . 1 . . . . 4 TRP N . 15715 1 27 . 1 1 5 5 GLN H H 1 8.75 0.02 . 1 . . . . 5 GLN H . 15715 1 28 . 1 1 5 5 GLN HA H 1 3.75 0.02 . 1 . . . . 5 GLN HA . 15715 1 29 . 1 1 5 5 GLN HB2 H 1 1.81 0.02 . 2 . . . . 5 GLN HB2 . 15715 1 30 . 1 1 5 5 GLN HB3 H 1 1.72 0.02 . 2 . . . . 5 GLN HB3 . 15715 1 31 . 1 1 5 5 GLN HE21 H 1 7.24 0.02 . 1 . . . . 5 GLN HE21 . 15715 1 32 . 1 1 5 5 GLN HE22 H 1 6.66 0.02 . 1 . . . . 5 GLN HE22 . 15715 1 33 . 1 1 5 5 GLN HG2 H 1 1.88 0.02 . 2 . . . . 5 GLN HG2 . 15715 1 34 . 1 1 5 5 GLN HG3 H 1 1.71 0.02 . 2 . . . . 5 GLN HG3 . 15715 1 35 . 1 1 5 5 GLN C C 13 177.3 0.3 . 1 . . . . 5 GLN C . 15715 1 36 . 1 1 5 5 GLN CA C 13 58.5 0.3 . 1 . . . . 5 GLN CA . 15715 1 37 . 1 1 5 5 GLN CB C 13 27.9 0.3 . 1 . . . . 5 GLN CB . 15715 1 38 . 1 1 5 5 GLN CG C 13 33.8 0.3 . 1 . . . . 5 GLN CG . 15715 1 39 . 1 1 5 5 GLN N N 15 118.8 0.3 . 1 . . . . 5 GLN N . 15715 1 40 . 1 1 5 5 GLN NE2 N 15 112.5 0.3 . 1 . . . . 5 GLN NE2 . 15715 1 41 . 1 1 6 6 LYS H H 1 7.42 0.02 . 1 . . . . 6 LYS H . 15715 1 42 . 1 1 6 6 LYS HA H 1 4.23 0.02 . 1 . . . . 6 LYS HA . 15715 1 43 . 1 1 6 6 LYS HB2 H 1 1.85 0.02 . 2 . . . . 6 LYS HB2 . 15715 1 44 . 1 1 6 6 LYS HB3 H 1 1.75 0.02 . 2 . . . . 6 LYS HB3 . 15715 1 45 . 1 1 6 6 LYS HD2 H 1 1.56 0.02 . 1 . . . . 6 LYS HD2 . 15715 1 46 . 1 1 6 6 LYS HE2 H 1 2.95 0.02 . 2 . . . . 6 LYS HE2 . 15715 1 47 . 1 1 6 6 LYS HE3 H 1 2.83 0.02 . 2 . . . . 6 LYS HE3 . 15715 1 48 . 1 1 6 6 LYS HG2 H 1 1.42 0.02 . 2 . . . . 6 LYS HG2 . 15715 1 49 . 1 1 6 6 LYS HG3 H 1 1.34 0.02 . 2 . . . . 6 LYS HG3 . 15715 1 50 . 1 1 6 6 LYS C C 13 177.2 0.3 . 1 . . . . 6 LYS C . 15715 1 51 . 1 1 6 6 LYS CA C 13 56.8 0.3 . 1 . . . . 6 LYS CA . 15715 1 52 . 1 1 6 6 LYS CB C 13 32.8 0.3 . 1 . . . . 6 LYS CB . 15715 1 53 . 1 1 6 6 LYS CD C 13 27.0 0.3 . 1 . . . . 6 LYS CD . 15715 1 54 . 1 1 6 6 LYS CE C 13 40.6 0.3 . 1 . . . . 6 LYS CE . 15715 1 55 . 1 1 6 6 LYS CG C 13 23.9 0.3 . 1 . . . . 6 LYS CG . 15715 1 56 . 1 1 6 6 LYS N N 15 116.3 0.3 . 1 . . . . 6 LYS N . 15715 1 57 . 1 1 7 7 LYS H H 1 7.62 0.02 . 1 . . . . 7 LYS H . 15715 1 58 . 1 1 7 7 LYS HA H 1 4.37 0.02 . 1 . . . . 7 LYS HA . 15715 1 59 . 1 1 7 7 LYS HB2 H 1 2.01 0.02 . 2 . . . . 7 LYS HB2 . 15715 1 60 . 1 1 7 7 LYS HB3 H 1 1.87 0.02 . 2 . . . . 7 LYS HB3 . 15715 1 61 . 1 1 7 7 LYS HD2 H 1 1.60 0.02 . 2 . . . . 7 LYS HD2 . 15715 1 62 . 1 1 7 7 LYS HD3 H 1 1.57 0.02 . 2 . . . . 7 LYS HD3 . 15715 1 63 . 1 1 7 7 LYS HE2 H 1 2.95 0.02 . 2 . . . . 7 LYS HE2 . 15715 1 64 . 1 1 7 7 LYS HE3 H 1 2.88 0.02 . 2 . . . . 7 LYS HE3 . 15715 1 65 . 1 1 7 7 LYS HG2 H 1 1.50 0.02 . 2 . . . . 7 LYS HG2 . 15715 1 66 . 1 1 7 7 LYS HG3 H 1 1.47 0.02 . 2 . . . . 7 LYS HG3 . 15715 1 67 . 1 1 7 7 LYS C C 13 176.1 0.3 . 1 . . . . 7 LYS C . 15715 1 68 . 1 1 7 7 LYS CA C 13 57.1 0.3 . 1 . . . . 7 LYS CA . 15715 1 69 . 1 1 7 7 LYS CB C 13 34.9 0.3 . 1 . . . . 7 LYS CB . 15715 1 70 . 1 1 7 7 LYS CD C 13 29.5 0.3 . 1 . . . . 7 LYS CD . 15715 1 71 . 1 1 7 7 LYS CE C 13 41.7 0.3 . 1 . . . . 7 LYS CE . 15715 1 72 . 1 1 7 7 LYS CG C 13 24.9 0.3 . 1 . . . . 7 LYS CG . 15715 1 73 . 1 1 7 7 LYS N N 15 118.4 0.3 . 1 . . . . 7 LYS N . 15715 1 74 . 1 1 8 8 LEU H H 1 7.70 0.02 . 1 . . . . 8 LEU H . 15715 1 75 . 1 1 8 8 LEU HA H 1 4.92 0.02 . 1 . . . . 8 LEU HA . 15715 1 76 . 1 1 8 8 LEU HB2 H 1 1.99 0.02 . 2 . . . . 8 LEU HB2 . 15715 1 77 . 1 1 8 8 LEU HB3 H 1 1.96 0.02 . 2 . . . . 8 LEU HB3 . 15715 1 78 . 1 1 8 8 LEU HD11 H 1 1.02 0.02 . 1 . . . . 8 LEU HD1 . 15715 1 79 . 1 1 8 8 LEU HD12 H 1 1.02 0.02 . 1 . . . . 8 LEU HD1 . 15715 1 80 . 1 1 8 8 LEU HD13 H 1 1.02 0.02 . 1 . . . . 8 LEU HD1 . 15715 1 81 . 1 1 8 8 LEU HD21 H 1 0.93 0.02 . 1 . . . . 8 LEU HD2 . 15715 1 82 . 1 1 8 8 LEU HD22 H 1 0.93 0.02 . 1 . . . . 8 LEU HD2 . 15715 1 83 . 1 1 8 8 LEU HD23 H 1 0.93 0.02 . 1 . . . . 8 LEU HD2 . 15715 1 84 . 1 1 8 8 LEU HG H 1 2.34 0.02 . 1 . . . . 8 LEU HG . 15715 1 85 . 1 1 8 8 LEU C C 13 178.1 0.3 . 1 . . . . 8 LEU C . 15715 1 86 . 1 1 8 8 LEU CA C 13 53.5 0.3 . 1 . . . . 8 LEU CA . 15715 1 87 . 1 1 8 8 LEU CB C 13 44.4 0.3 . 1 . . . . 8 LEU CB . 15715 1 88 . 1 1 8 8 LEU CD1 C 13 21.7 0.3 . 1 . . . . 8 LEU CD1 . 15715 1 89 . 1 1 8 8 LEU CD2 C 13 21.6 0.3 . 1 . . . . 8 LEU CD2 . 15715 1 90 . 1 1 8 8 LEU CG C 13 27.1 0.3 . 1 . . . . 8 LEU CG . 15715 1 91 . 1 1 8 8 LEU N N 15 118.5 0.3 . 1 . . . . 8 LEU N . 15715 1 92 . 1 1 9 9 THR H H 1 8.61 0.02 . 1 . . . . 9 THR H . 15715 1 93 . 1 1 9 9 THR HA H 1 4.68 0.02 . 1 . . . . 9 THR HA . 15715 1 94 . 1 1 9 9 THR HB H 1 4.79 0.02 . 1 . . . . 9 THR HB . 15715 1 95 . 1 1 9 9 THR HG21 H 1 1.36 0.02 . 1 . . . . 9 THR HG2 . 15715 1 96 . 1 1 9 9 THR HG22 H 1 1.36 0.02 . 1 . . . . 9 THR HG2 . 15715 1 97 . 1 1 9 9 THR HG23 H 1 1.36 0.02 . 1 . . . . 9 THR HG2 . 15715 1 98 . 1 1 9 9 THR C C 13 173.7 0.3 . 1 . . . . 9 THR C . 15715 1 99 . 1 1 9 9 THR CA C 13 60.7 0.3 . 1 . . . . 9 THR CA . 15715 1 100 . 1 1 9 9 THR CB C 13 67.6 0.3 . 1 . . . . 9 THR CB . 15715 1 101 . 1 1 9 9 THR CG2 C 13 21.6 0.3 . 1 . . . . 9 THR CG2 . 15715 1 102 . 1 1 9 9 THR N N 15 114.0 0.3 . 1 . . . . 9 THR N . 15715 1 103 . 1 1 10 10 PRO HA H 1 4.33 0.02 . 1 . . . . 10 PRO HA . 15715 1 104 . 1 1 10 10 PRO HB2 H 1 2.46 0.02 . 2 . . . . 10 PRO HB2 . 15715 1 105 . 1 1 10 10 PRO HB3 H 1 1.97 0.02 . 2 . . . . 10 PRO HB3 . 15715 1 106 . 1 1 10 10 PRO HD2 H 1 3.77 0.02 . 2 . . . . 10 PRO HD2 . 15715 1 107 . 1 1 10 10 PRO HD3 H 1 3.59 0.02 . 2 . . . . 10 PRO HD3 . 15715 1 108 . 1 1 10 10 PRO HG2 H 1 2.25 0.02 . 2 . . . . 10 PRO HG2 . 15715 1 109 . 1 1 10 10 PRO HG3 H 1 1.87 0.02 . 2 . . . . 10 PRO HG3 . 15715 1 110 . 1 1 10 10 PRO C C 13 179.9 0.3 . 1 . . . . 10 PRO C . 15715 1 111 . 1 1 10 10 PRO CA C 13 66.4 0.3 . 1 . . . . 10 PRO CA . 15715 1 112 . 1 1 10 10 PRO CB C 13 31.5 0.3 . 1 . . . . 10 PRO CB . 15715 1 113 . 1 1 10 10 PRO CD C 13 50.0 0.3 . 1 . . . . 10 PRO CD . 15715 1 114 . 1 1 10 10 PRO CG C 13 30.8 0.3 . 1 . . . . 10 PRO CG . 15715 1 115 . 1 1 11 11 GLU H H 1 9.05 0.02 . 1 . . . . 11 GLU H . 15715 1 116 . 1 1 11 11 GLU HA H 1 4.29 0.02 . 1 . . . . 11 GLU HA . 15715 1 117 . 1 1 11 11 GLU HB2 H 1 2.15 0.02 . 2 . . . . 11 GLU HB2 . 15715 1 118 . 1 1 11 11 GLU HB3 H 1 2.07 0.02 . 2 . . . . 11 GLU HB3 . 15715 1 119 . 1 1 11 11 GLU HG2 H 1 2.54 0.02 . 2 . . . . 11 GLU HG2 . 15715 1 120 . 1 1 11 11 GLU HG3 H 1 2.40 0.02 . 2 . . . . 11 GLU HG3 . 15715 1 121 . 1 1 11 11 GLU C C 13 179.1 0.3 . 1 . . . . 11 GLU C . 15715 1 122 . 1 1 11 11 GLU CA C 13 60.2 0.3 . 1 . . . . 11 GLU CA . 15715 1 123 . 1 1 11 11 GLU CB C 13 29.1 0.3 . 1 . . . . 11 GLU CB . 15715 1 124 . 1 1 11 11 GLU CG C 13 36.4 0.3 . 1 . . . . 11 GLU CG . 15715 1 125 . 1 1 11 11 GLU N N 15 118.7 0.3 . 1 . . . . 11 GLU N . 15715 1 126 . 1 1 12 12 GLN H H 1 7.65 0.02 . 1 . . . . 12 GLN H . 15715 1 127 . 1 1 12 12 GLN HA H 1 3.83 0.02 . 1 . . . . 12 GLN HA . 15715 1 128 . 1 1 12 12 GLN HB2 H 1 2.61 0.02 . 2 . . . . 12 GLN HB2 . 15715 1 129 . 1 1 12 12 GLN HB3 H 1 1.71 0.02 . 2 . . . . 12 GLN HB3 . 15715 1 130 . 1 1 12 12 GLN HE21 H 1 6.87 0.02 . 1 . . . . 12 GLN HE21 . 15715 1 131 . 1 1 12 12 GLN HE22 H 1 8.01 0.02 . 1 . . . . 12 GLN HE22 . 15715 1 132 . 1 1 12 12 GLN HG2 H 1 2.92 0.02 . 2 . . . . 12 GLN HG2 . 15715 1 133 . 1 1 12 12 GLN HG3 H 1 2.86 0.02 . 2 . . . . 12 GLN HG3 . 15715 1 134 . 1 1 12 12 GLN C C 13 180.2 0.3 . 1 . . . . 12 GLN C . 15715 1 135 . 1 1 12 12 GLN CA C 13 58.6 0.3 . 1 . . . . 12 GLN CA . 15715 1 136 . 1 1 12 12 GLN CB C 13 28.9 0.3 . 1 . . . . 12 GLN CB . 15715 1 137 . 1 1 12 12 GLN CG C 13 35.1 0.3 . 1 . . . . 12 GLN CG . 15715 1 138 . 1 1 12 12 GLN N N 15 117.9 0.3 . 1 . . . . 12 GLN N . 15715 1 139 . 1 1 12 12 GLN NE2 N 15 111.0 0.3 . 1 . . . . 12 GLN NE2 . 15715 1 140 . 1 1 13 13 PHE H H 1 9.28 0.02 . 1 . . . . 13 PHE H . 15715 1 141 . 1 1 13 13 PHE HA H 1 4.56 0.02 . 1 . . . . 13 PHE HA . 15715 1 142 . 1 1 13 13 PHE HB2 H 1 3.08 0.02 . 2 . . . . 13 PHE HB2 . 15715 1 143 . 1 1 13 13 PHE HB3 H 1 2.99 0.02 . 2 . . . . 13 PHE HB3 . 15715 1 144 . 1 1 13 13 PHE C C 13 176.4 0.3 . 1 . . . . 13 PHE C . 15715 1 145 . 1 1 13 13 PHE CA C 13 62.6 0.3 . 1 . . . . 13 PHE CA . 15715 1 146 . 1 1 13 13 PHE CB C 13 40.0 0.3 . 1 . . . . 13 PHE CB . 15715 1 147 . 1 1 13 13 PHE N N 15 124.3 0.3 . 1 . . . . 13 PHE N . 15715 1 148 . 1 1 14 14 TYR H H 1 8.48 0.02 . 1 . . . . 14 TYR H . 15715 1 149 . 1 1 14 14 TYR HA H 1 4.46 0.02 . 1 . . . . 14 TYR HA . 15715 1 150 . 1 1 14 14 TYR HB2 H 1 3.43 0.02 . 2 . . . . 14 TYR HB2 . 15715 1 151 . 1 1 14 14 TYR HB3 H 1 2.97 0.02 . 2 . . . . 14 TYR HB3 . 15715 1 152 . 1 1 14 14 TYR HD1 H 1 6.77 0.02 . 1 . . . . 14 TYR HD1 . 15715 1 153 . 1 1 14 14 TYR C C 13 177.5 0.3 . 1 . . . . 14 TYR C . 15715 1 154 . 1 1 14 14 TYR CA C 13 59.5 0.3 . 1 . . . . 14 TYR CA . 15715 1 155 . 1 1 14 14 TYR CB C 13 38.6 0.3 . 1 . . . . 14 TYR CB . 15715 1 156 . 1 1 14 14 TYR N N 15 121.3 0.3 . 1 . . . . 14 TYR N . 15715 1 157 . 1 1 15 15 VAL H H 1 7.39 0.02 . 1 . . . . 15 VAL H . 15715 1 158 . 1 1 15 15 VAL HA H 1 2.99 0.02 . 1 . . . . 15 VAL HA . 15715 1 159 . 1 1 15 15 VAL HB H 1 1.74 0.02 . 1 . . . . 15 VAL HB . 15715 1 160 . 1 1 15 15 VAL HG11 H 1 0.83 0.02 . 1 . . . . 15 VAL HG1 . 15715 1 161 . 1 1 15 15 VAL HG12 H 1 0.83 0.02 . 1 . . . . 15 VAL HG1 . 15715 1 162 . 1 1 15 15 VAL HG13 H 1 0.83 0.02 . 1 . . . . 15 VAL HG1 . 15715 1 163 . 1 1 15 15 VAL HG21 H 1 0.81 0.02 . 1 . . . . 15 VAL HG2 . 15715 1 164 . 1 1 15 15 VAL HG22 H 1 0.81 0.02 . 1 . . . . 15 VAL HG2 . 15715 1 165 . 1 1 15 15 VAL HG23 H 1 0.81 0.02 . 1 . . . . 15 VAL HG2 . 15715 1 166 . 1 1 15 15 VAL C C 13 176.9 0.3 . 1 . . . . 15 VAL C . 15715 1 167 . 1 1 15 15 VAL CA C 13 65.8 0.3 . 1 . . . . 15 VAL CA . 15715 1 168 . 1 1 15 15 VAL CB C 13 32.4 0.3 . 1 . . . . 15 VAL CB . 15715 1 169 . 1 1 15 15 VAL CG1 C 13 20.8 0.3 . 1 . . . . 15 VAL CG1 . 15715 1 170 . 1 1 15 15 VAL CG2 C 13 20.8 0.3 . 1 . . . . 15 VAL CG2 . 15715 1 171 . 1 1 15 15 VAL N N 15 116.2 0.3 . 1 . . . . 15 VAL N . 15715 1 172 . 1 1 16 16 THR H H 1 7.93 0.02 . 1 . . . . 16 THR H . 15715 1 173 . 1 1 16 16 THR HA H 1 4.90 0.02 . 1 . . . . 16 THR HA . 15715 1 174 . 1 1 16 16 THR HB H 1 3.72 0.02 . 1 . . . . 16 THR HB . 15715 1 175 . 1 1 16 16 THR HG21 H 1 1.31 0.02 . 1 . . . . 16 THR HG2 . 15715 1 176 . 1 1 16 16 THR HG22 H 1 1.31 0.02 . 1 . . . . 16 THR HG2 . 15715 1 177 . 1 1 16 16 THR HG23 H 1 1.31 0.02 . 1 . . . . 16 THR HG2 . 15715 1 178 . 1 1 16 16 THR C C 13 178.4 0.3 . 1 . . . . 16 THR C . 15715 1 179 . 1 1 16 16 THR CA C 13 64.3 0.3 . 1 . . . . 16 THR CA . 15715 1 180 . 1 1 16 16 THR CB C 13 70.5 0.3 . 1 . . . . 16 THR CB . 15715 1 181 . 1 1 16 16 THR CG2 C 13 21.8 0.3 . 1 . . . . 16 THR CG2 . 15715 1 182 . 1 1 16 16 THR N N 15 104.7 0.3 . 1 . . . . 16 THR N . 15715 1 183 . 1 1 17 17 ARG H H 1 8.30 0.02 . 1 . . . . 17 ARG H . 15715 1 184 . 1 1 17 17 ARG HA H 1 4.59 0.02 . 1 . . . . 17 ARG HA . 15715 1 185 . 1 1 17 17 ARG HB2 H 1 1.51 0.02 . 2 . . . . 17 ARG HB2 . 15715 1 186 . 1 1 17 17 ARG HB3 H 1 0.56 0.02 . 2 . . . . 17 ARG HB3 . 15715 1 187 . 1 1 17 17 ARG HD2 H 1 3.43 0.02 . 1 . . . . 17 ARG HD2 . 15715 1 188 . 1 1 17 17 ARG HG2 H 1 0.88 0.02 . 1 . . . . 17 ARG HG2 . 15715 1 189 . 1 1 17 17 ARG C C 13 177.6 0.3 . 1 . . . . 17 ARG C . 15715 1 190 . 1 1 17 17 ARG CA C 13 53.4 0.3 . 1 . . . . 17 ARG CA . 15715 1 191 . 1 1 17 17 ARG CB C 13 27.2 0.3 . 1 . . . . 17 ARG CB . 15715 1 192 . 1 1 17 17 ARG N N 15 118.8 0.3 . 1 . . . . 17 ARG N . 15715 1 193 . 1 1 18 18 GLU H H 1 6.74 0.02 . 1 . . . . 18 GLU H . 15715 1 194 . 1 1 18 18 GLU HA H 1 4.45 0.02 . 1 . . . . 18 GLU HA . 15715 1 195 . 1 1 18 18 GLU HB2 H 1 2.44 0.02 . 2 . . . . 18 GLU HB2 . 15715 1 196 . 1 1 18 18 GLU HB3 H 1 2.22 0.02 . 2 . . . . 18 GLU HB3 . 15715 1 197 . 1 1 18 18 GLU HG2 H 1 2.40 0.02 . 2 . . . . 18 GLU HG2 . 15715 1 198 . 1 1 18 18 GLU HG3 H 1 2.10 0.02 . 2 . . . . 18 GLU HG3 . 15715 1 199 . 1 1 18 18 GLU C C 13 175.6 0.3 . 1 . . . . 18 GLU C . 15715 1 200 . 1 1 18 18 GLU CA C 13 55.1 0.3 . 1 . . . . 18 GLU CA . 15715 1 201 . 1 1 18 18 GLU CB C 13 29.2 0.3 . 1 . . . . 18 GLU CB . 15715 1 202 . 1 1 18 18 GLU CG C 13 38.0 0.3 . 1 . . . . 18 GLU CG . 15715 1 203 . 1 1 18 18 GLU N N 15 117.5 0.3 . 1 . . . . 18 GLU N . 15715 1 204 . 1 1 19 19 LYS H H 1 6.99 0.02 . 1 . . . . 19 LYS H . 15715 1 205 . 1 1 19 19 LYS HA H 1 2.95 0.02 . 1 . . . . 19 LYS HA . 15715 1 206 . 1 1 19 19 LYS HB2 H 1 1.54 0.02 . 2 . . . . 19 LYS HB2 . 15715 1 207 . 1 1 19 19 LYS HB3 H 1 1.31 0.02 . 2 . . . . 19 LYS HB3 . 15715 1 208 . 1 1 19 19 LYS HD2 H 1 1.52 0.02 . 2 . . . . 19 LYS HD2 . 15715 1 209 . 1 1 19 19 LYS HD3 H 1 1.47 0.02 . 2 . . . . 19 LYS HD3 . 15715 1 210 . 1 1 19 19 LYS HE2 H 1 2.85 0.02 . 2 . . . . 19 LYS HE2 . 15715 1 211 . 1 1 19 19 LYS HE3 H 1 2.82 0.02 . 2 . . . . 19 LYS HE3 . 15715 1 212 . 1 1 19 19 LYS HG2 H 1 0.86 0.02 . 2 . . . . 19 LYS HG2 . 15715 1 213 . 1 1 19 19 LYS HG3 H 1 0.83 0.02 . 2 . . . . 19 LYS HG3 . 15715 1 214 . 1 1 19 19 LYS C C 13 175.3 0.3 . 1 . . . . 19 LYS C . 15715 1 215 . 1 1 19 19 LYS CA C 13 57.4 0.3 . 1 . . . . 19 LYS CA . 15715 1 216 . 1 1 19 19 LYS CB C 13 29.5 0.3 . 1 . . . . 19 LYS CB . 15715 1 217 . 1 1 19 19 LYS CD C 13 29.6 0.3 . 1 . . . . 19 LYS CD . 15715 1 218 . 1 1 19 19 LYS CE C 13 41.7 0.3 . 1 . . . . 19 LYS CE . 15715 1 219 . 1 1 19 19 LYS CG C 13 23.5 0.3 . 1 . . . . 19 LYS CG . 15715 1 220 . 1 1 19 19 LYS N N 15 114.4 0.3 . 1 . . . . 19 LYS N . 15715 1 221 . 1 1 20 20 GLY H H 1 7.86 0.02 . 1 . . . . 20 GLY H . 15715 1 222 . 1 1 20 20 GLY HA2 H 1 3.56 0.02 . 2 . . . . 20 GLY HA2 . 15715 1 223 . 1 1 20 20 GLY HA3 H 1 2.00 0.02 . 2 . . . . 20 GLY HA3 . 15715 1 224 . 1 1 20 20 GLY C C 13 169.8 0.3 . 1 . . . . 20 GLY C . 15715 1 225 . 1 1 20 20 GLY CA C 13 43.8 0.3 . 1 . . . . 20 GLY CA . 15715 1 226 . 1 1 20 20 GLY N N 15 108.8 0.3 . 1 . . . . 20 GLY N . 15715 1 227 . 1 1 21 21 THR H H 1 6.97 0.02 . 1 . . . . 21 THR H . 15715 1 228 . 1 1 21 21 THR HA H 1 4.76 0.02 . 1 . . . . 21 THR HA . 15715 1 229 . 1 1 21 21 THR HB H 1 3.86 0.02 . 1 . . . . 21 THR HB . 15715 1 230 . 1 1 21 21 THR HG21 H 1 1.36 0.02 . 1 . . . . 21 THR HG2 . 15715 1 231 . 1 1 21 21 THR HG22 H 1 1.36 0.02 . 1 . . . . 21 THR HG2 . 15715 1 232 . 1 1 21 21 THR HG23 H 1 1.36 0.02 . 1 . . . . 21 THR HG2 . 15715 1 233 . 1 1 21 21 THR C C 13 174.5 0.3 . 1 . . . . 21 THR C . 15715 1 234 . 1 1 21 21 THR CA C 13 60.9 0.3 . 1 . . . . 21 THR CA . 15715 1 235 . 1 1 21 21 THR CB C 13 72.2 0.3 . 1 . . . . 21 THR CB . 15715 1 236 . 1 1 21 21 THR CG2 C 13 21.0 0.3 . 1 . . . . 21 THR CG2 . 15715 1 237 . 1 1 21 21 THR N N 15 110.8 0.3 . 1 . . . . 21 THR N . 15715 1 238 . 1 1 22 22 GLU H H 1 8.98 0.02 . 1 . . . . 22 GLU H . 15715 1 239 . 1 1 22 22 GLU HA H 1 4.54 0.02 . 1 . . . . 22 GLU HA . 15715 1 240 . 1 1 22 22 GLU HB2 H 1 2.27 0.02 . 2 . . . . 22 GLU HB2 . 15715 1 241 . 1 1 22 22 GLU HB3 H 1 2.24 0.02 . 2 . . . . 22 GLU HB3 . 15715 1 242 . 1 1 22 22 GLU HG2 H 1 2.35 0.02 . 1 . . . . 22 GLU HG2 . 15715 1 243 . 1 1 22 22 GLU C C 13 176.2 0.3 . 1 . . . . 22 GLU C . 15715 1 244 . 1 1 22 22 GLU CA C 13 54.7 0.3 . 1 . . . . 22 GLU CA . 15715 1 245 . 1 1 22 22 GLU CB C 13 29.4 0.3 . 1 . . . . 22 GLU CB . 15715 1 246 . 1 1 22 22 GLU CG C 13 35.5 0.3 . 1 . . . . 22 GLU CG . 15715 1 247 . 1 1 22 22 GLU N N 15 128.2 0.3 . 1 . . . . 22 GLU N . 15715 1 248 . 1 1 23 23 ALA H H 1 9.05 0.02 . 1 . . . . 23 ALA H . 15715 1 249 . 1 1 23 23 ALA HA H 1 4.57 0.02 . 1 . . . . 23 ALA HA . 15715 1 250 . 1 1 23 23 ALA HB1 H 1 1.38 0.02 . 1 . . . . 23 ALA HB . 15715 1 251 . 1 1 23 23 ALA HB2 H 1 1.38 0.02 . 1 . . . . 23 ALA HB . 15715 1 252 . 1 1 23 23 ALA HB3 H 1 1.38 0.02 . 1 . . . . 23 ALA HB . 15715 1 253 . 1 1 23 23 ALA C C 13 176.5 0.3 . 1 . . . . 23 ALA C . 15715 1 254 . 1 1 23 23 ALA CA C 13 50.8 0.3 . 1 . . . . 23 ALA CA . 15715 1 255 . 1 1 23 23 ALA CB C 13 16.6 0.3 . 1 . . . . 23 ALA CB . 15715 1 256 . 1 1 23 23 ALA N N 15 126.6 0.3 . 1 . . . . 23 ALA N . 15715 1 257 . 1 1 24 24 PRO HA H 1 2.98 0.02 . 1 . . . . 24 PRO HA . 15715 1 258 . 1 1 24 24 PRO HB2 H 1 1.53 0.02 . 2 . . . . 24 PRO HB2 . 15715 1 259 . 1 1 24 24 PRO HB3 H 1 1.15 0.02 . 2 . . . . 24 PRO HB3 . 15715 1 260 . 1 1 24 24 PRO HD2 H 1 3.89 0.02 . 2 . . . . 24 PRO HD2 . 15715 1 261 . 1 1 24 24 PRO HD3 H 1 3.70 0.02 . 2 . . . . 24 PRO HD3 . 15715 1 262 . 1 1 24 24 PRO HG2 H 1 1.95 0.02 . 2 . . . . 24 PRO HG2 . 15715 1 263 . 1 1 24 24 PRO HG3 H 1 2.00 0.02 . 2 . . . . 24 PRO HG3 . 15715 1 264 . 1 1 24 24 PRO C C 13 176.9 0.3 . 1 . . . . 24 PRO C . 15715 1 265 . 1 1 24 24 PRO CA C 13 63.0 0.3 . 1 . . . . 24 PRO CA . 15715 1 266 . 1 1 24 24 PRO CB C 13 30.8 0.3 . 1 . . . . 24 PRO CB . 15715 1 267 . 1 1 24 24 PRO CD C 13 49.7 0.3 . 1 . . . . 24 PRO CD . 15715 1 268 . 1 1 24 24 PRO CG C 13 25.8 0.3 . 1 . . . . 24 PRO CG . 15715 1 269 . 1 1 25 25 PHE H H 1 9.14 0.02 . 1 . . . . 25 PHE H . 15715 1 270 . 1 1 25 25 PHE HA H 1 3.41 0.02 . 1 . . . . 25 PHE HA . 15715 1 271 . 1 1 25 25 PHE HB2 H 1 3.20 0.02 . 2 . . . . 25 PHE HB2 . 15715 1 272 . 1 1 25 25 PHE HB3 H 1 3.12 0.02 . 2 . . . . 25 PHE HB3 . 15715 1 273 . 1 1 25 25 PHE HD1 H 1 6.89 0.02 . 1 . . . . 25 PHE HD1 . 15715 1 274 . 1 1 25 25 PHE C C 13 174.4 0.3 . 1 . . . . 25 PHE C . 15715 1 275 . 1 1 25 25 PHE CA C 13 60.6 0.3 . 1 . . . . 25 PHE CA . 15715 1 276 . 1 1 25 25 PHE CB C 13 35.0 0.3 . 1 . . . . 25 PHE CB . 15715 1 277 . 1 1 25 25 PHE N N 15 114.6 0.3 . 1 . . . . 25 PHE N . 15715 1 278 . 1 1 26 26 SER H H 1 7.82 0.02 . 1 . . . . 26 SER H . 15715 1 279 . 1 1 26 26 SER HA H 1 4.34 0.02 . 1 . . . . 26 SER HA . 15715 1 280 . 1 1 26 26 SER HB2 H 1 4.04 0.02 . 2 . . . . 26 SER HB2 . 15715 1 281 . 1 1 26 26 SER HB3 H 1 3.98 0.02 . 2 . . . . 26 SER HB3 . 15715 1 282 . 1 1 26 26 SER C C 13 176.4 0.3 . 1 . . . . 26 SER C . 15715 1 283 . 1 1 26 26 SER CA C 13 59.6 0.3 . 1 . . . . 26 SER CA . 15715 1 284 . 1 1 26 26 SER CB C 13 65.1 0.3 . 1 . . . . 26 SER CB . 15715 1 285 . 1 1 26 26 SER N N 15 114.2 0.3 . 1 . . . . 26 SER N . 15715 1 286 . 1 1 27 27 GLY H H 1 9.01 0.02 . 1 . . . . 27 GLY H . 15715 1 287 . 1 1 27 27 GLY HA2 H 1 4.10 0.02 . 2 . . . . 27 GLY HA2 . 15715 1 288 . 1 1 27 27 GLY HA3 H 1 3.58 0.02 . 2 . . . . 27 GLY HA3 . 15715 1 289 . 1 1 27 27 GLY C C 13 176.3 0.3 . 1 . . . . 27 GLY C . 15715 1 290 . 1 1 27 27 GLY CA C 13 46.9 0.3 . 1 . . . . 27 GLY CA . 15715 1 291 . 1 1 27 27 GLY N N 15 113.7 0.3 . 1 . . . . 27 GLY N . 15715 1 292 . 1 1 28 28 MET H H 1 8.71 0.02 . 1 . . . . 28 MET H . 15715 1 293 . 1 1 28 28 MET HA H 1 4.13 0.02 . 1 . . . . 28 MET HA . 15715 1 294 . 1 1 28 28 MET HB2 H 1 1.86 0.02 . 2 . . . . 28 MET HB2 . 15715 1 295 . 1 1 28 28 MET HB3 H 1 1.59 0.02 . 2 . . . . 28 MET HB3 . 15715 1 296 . 1 1 28 28 MET HG2 H 1 2.13 0.02 . 2 . . . . 28 MET HG2 . 15715 1 297 . 1 1 28 28 MET HG3 H 1 1.99 0.02 . 2 . . . . 28 MET HG3 . 15715 1 298 . 1 1 28 28 MET C C 13 178.1 0.3 . 1 . . . . 28 MET C . 15715 1 299 . 1 1 28 28 MET CA C 13 58.3 0.3 . 1 . . . . 28 MET CA . 15715 1 300 . 1 1 28 28 MET CB C 13 32.2 0.3 . 1 . . . . 28 MET CB . 15715 1 301 . 1 1 28 28 MET CG C 13 30.4 0.3 . 1 . . . . 28 MET CG . 15715 1 302 . 1 1 28 28 MET N N 15 127.8 0.3 . 1 . . . . 28 MET N . 15715 1 303 . 1 1 29 29 TYR H H 1 8.36 0.02 . 1 . . . . 29 TYR H . 15715 1 304 . 1 1 29 29 TYR HA H 1 4.99 0.02 . 1 . . . . 29 TYR HA . 15715 1 305 . 1 1 29 29 TYR HB2 H 1 3.66 0.02 . 2 . . . . 29 TYR HB2 . 15715 1 306 . 1 1 29 29 TYR HB3 H 1 3.59 0.02 . 2 . . . . 29 TYR HB3 . 15715 1 307 . 1 1 29 29 TYR HD1 H 1 7.16 0.02 . 1 . . . . 29 TYR HD1 . 15715 1 308 . 1 1 29 29 TYR C C 13 177.1 0.3 . 1 . . . . 29 TYR C . 15715 1 309 . 1 1 29 29 TYR CA C 13 55.5 0.3 . 1 . . . . 29 TYR CA . 15715 1 310 . 1 1 29 29 TYR CB C 13 37.6 0.3 . 1 . . . . 29 TYR CB . 15715 1 311 . 1 1 29 29 TYR N N 15 113.9 0.3 . 1 . . . . 29 TYR N . 15715 1 312 . 1 1 30 30 LEU H H 1 7.61 0.02 . 1 . . . . 30 LEU H . 15715 1 313 . 1 1 30 30 LEU HA H 1 3.52 0.02 . 1 . . . . 30 LEU HA . 15715 1 314 . 1 1 30 30 LEU HB2 H 1 1.74 0.02 . 2 . . . . 30 LEU HB2 . 15715 1 315 . 1 1 30 30 LEU HB3 H 1 1.37 0.02 . 2 . . . . 30 LEU HB3 . 15715 1 316 . 1 1 30 30 LEU HD11 H 1 0.75 0.02 . 1 . . . . 30 LEU HD1 . 15715 1 317 . 1 1 30 30 LEU HD12 H 1 0.75 0.02 . 1 . . . . 30 LEU HD1 . 15715 1 318 . 1 1 30 30 LEU HD13 H 1 0.75 0.02 . 1 . . . . 30 LEU HD1 . 15715 1 319 . 1 1 30 30 LEU HD21 H 1 0.45 0.02 . 1 . . . . 30 LEU HD2 . 15715 1 320 . 1 1 30 30 LEU HD22 H 1 0.45 0.02 . 1 . . . . 30 LEU HD2 . 15715 1 321 . 1 1 30 30 LEU HD23 H 1 0.45 0.02 . 1 . . . . 30 LEU HD2 . 15715 1 322 . 1 1 30 30 LEU HG H 1 1.30 0.02 . 1 . . . . 30 LEU HG . 15715 1 323 . 1 1 30 30 LEU C C 13 177.8 0.3 . 1 . . . . 30 LEU C . 15715 1 324 . 1 1 30 30 LEU CA C 13 60.1 0.3 . 1 . . . . 30 LEU CA . 15715 1 325 . 1 1 30 30 LEU CB C 13 42.2 0.3 . 1 . . . . 30 LEU CB . 15715 1 326 . 1 1 30 30 LEU CD1 C 13 27.0 0.3 . 1 . . . . 30 LEU CD1 . 15715 1 327 . 1 1 30 30 LEU CD2 C 13 23.3 0.3 . 1 . . . . 30 LEU CD2 . 15715 1 328 . 1 1 30 30 LEU CG C 13 26.3 0.3 . 1 . . . . 30 LEU CG . 15715 1 329 . 1 1 30 30 LEU N N 15 123.2 0.3 . 1 . . . . 30 LEU N . 15715 1 330 . 1 1 31 31 ASN H H 1 8.92 0.02 . 1 . . . . 31 ASN H . 15715 1 331 . 1 1 31 31 ASN HA H 1 4.91 0.02 . 1 . . . . 31 ASN HA . 15715 1 332 . 1 1 31 31 ASN HB2 H 1 2.94 0.02 . 2 . . . . 31 ASN HB2 . 15715 1 333 . 1 1 31 31 ASN HB3 H 1 2.53 0.02 . 2 . . . . 31 ASN HB3 . 15715 1 334 . 1 1 31 31 ASN HD21 H 1 7.61 0.02 . 1 . . . . 31 ASN HD21 . 15715 1 335 . 1 1 31 31 ASN HD22 H 1 6.86 0.02 . 1 . . . . 31 ASN HD22 . 15715 1 336 . 1 1 31 31 ASN C C 13 174.7 0.3 . 1 . . . . 31 ASN C . 15715 1 337 . 1 1 31 31 ASN CA C 13 52.2 0.3 . 1 . . . . 31 ASN CA . 15715 1 338 . 1 1 31 31 ASN CB C 13 38.6 0.3 . 1 . . . . 31 ASN CB . 15715 1 339 . 1 1 31 31 ASN N N 15 115.0 0.3 . 1 . . . . 31 ASN N . 15715 1 340 . 1 1 31 31 ASN ND2 N 15 114.5 0.3 . 1 . . . . 31 ASN ND2 . 15715 1 341 . 1 1 32 32 ASN HA H 1 4.56 0.02 . 1 . . . . 32 ASN HA . 15715 1 342 . 1 1 32 32 ASN HB2 H 1 2.94 0.02 . 2 . . . . 32 ASN HB2 . 15715 1 343 . 1 1 32 32 ASN HB3 H 1 2.52 0.02 . 2 . . . . 32 ASN HB3 . 15715 1 344 . 1 1 32 32 ASN HD21 H 1 7.62 0.02 . 1 . . . . 32 ASN HD21 . 15715 1 345 . 1 1 32 32 ASN HD22 H 1 6.89 0.02 . 1 . . . . 32 ASN HD22 . 15715 1 346 . 1 1 32 32 ASN ND2 N 15 114.5 0.3 . 1 . . . . 32 ASN ND2 . 15715 1 347 . 1 1 33 33 LYS H H 1 9.12 0.02 . 1 . . . . 33 LYS H . 15715 1 348 . 1 1 33 33 LYS HA H 1 4.60 0.02 . 1 . . . . 33 LYS HA . 15715 1 349 . 1 1 33 33 LYS HB2 H 1 1.96 0.02 . 2 . . . . 33 LYS HB2 . 15715 1 350 . 1 1 33 33 LYS HB3 H 1 1.60 0.02 . 2 . . . . 33 LYS HB3 . 15715 1 351 . 1 1 33 33 LYS HD2 H 1 1.68 0.02 . 2 . . . . 33 LYS HD2 . 15715 1 352 . 1 1 33 33 LYS HD3 H 1 1.63 0.02 . 2 . . . . 33 LYS HD3 . 15715 1 353 . 1 1 33 33 LYS HE2 H 1 2.96 0.02 . 2 . . . . 33 LYS HE2 . 15715 1 354 . 1 1 33 33 LYS HE3 H 1 2.92 0.02 . 2 . . . . 33 LYS HE3 . 15715 1 355 . 1 1 33 33 LYS HG2 H 1 1.40 0.02 . 2 . . . . 33 LYS HG2 . 15715 1 356 . 1 1 33 33 LYS HG3 H 1 1.33 0.02 . 2 . . . . 33 LYS HG3 . 15715 1 357 . 1 1 33 33 LYS C C 13 176.5 0.3 . 1 . . . . 33 LYS C . 15715 1 358 . 1 1 33 33 LYS CA C 13 54.9 0.3 . 1 . . . . 33 LYS CA . 15715 1 359 . 1 1 33 33 LYS CB C 13 33.4 0.3 . 1 . . . . 33 LYS CB . 15715 1 360 . 1 1 33 33 LYS CD C 13 32.6 0.3 . 1 . . . . 33 LYS CD . 15715 1 361 . 1 1 33 33 LYS CE C 13 41.7 0.3 . 1 . . . . 33 LYS CE . 15715 1 362 . 1 1 33 33 LYS CG C 13 24.4 0.3 . 1 . . . . 33 LYS CG . 15715 1 363 . 1 1 33 33 LYS N N 15 126.7 0.3 . 1 . . . . 33 LYS N . 15715 1 364 . 1 1 34 34 GLU H H 1 7.26 0.02 . 1 . . . . 34 GLU H . 15715 1 365 . 1 1 34 34 GLU HA H 1 4.23 0.02 . 1 . . . . 34 GLU HA . 15715 1 366 . 1 1 34 34 GLU HB2 H 1 2.18 0.02 . 2 . . . . 34 GLU HB2 . 15715 1 367 . 1 1 34 34 GLU HB3 H 1 1.94 0.02 . 2 . . . . 34 GLU HB3 . 15715 1 368 . 1 1 34 34 GLU HG2 H 1 2.53 0.02 . 2 . . . . 34 GLU HG2 . 15715 1 369 . 1 1 34 34 GLU HG3 H 1 2.49 0.02 . 2 . . . . 34 GLU HG3 . 15715 1 370 . 1 1 34 34 GLU C C 13 175.7 0.3 . 1 . . . . 34 GLU C . 15715 1 371 . 1 1 34 34 GLU CA C 13 56.7 0.3 . 1 . . . . 34 GLU CA . 15715 1 372 . 1 1 34 34 GLU CB C 13 30.5 0.3 . 1 . . . . 34 GLU CB . 15715 1 373 . 1 1 34 34 GLU CG C 13 36.4 0.3 . 1 . . . . 34 GLU CG . 15715 1 374 . 1 1 34 34 GLU N N 15 122.1 0.3 . 1 . . . . 34 GLU N . 15715 1 375 . 1 1 35 35 THR H H 1 8.68 0.02 . 1 . . . . 35 THR H . 15715 1 376 . 1 1 35 35 THR HA H 1 4.55 0.02 . 1 . . . . 35 THR HA . 15715 1 377 . 1 1 35 35 THR HB H 1 4.10 0.02 . 1 . . . . 35 THR HB . 15715 1 378 . 1 1 35 35 THR HG21 H 1 1.29 0.02 . 1 . . . . 35 THR HG2 . 15715 1 379 . 1 1 35 35 THR HG22 H 1 1.29 0.02 . 1 . . . . 35 THR HG2 . 15715 1 380 . 1 1 35 35 THR HG23 H 1 1.29 0.02 . 1 . . . . 35 THR HG2 . 15715 1 381 . 1 1 35 35 THR C C 13 175.8 0.3 . 1 . . . . 35 THR C . 15715 1 382 . 1 1 35 35 THR CA C 13 62.3 0.3 . 1 . . . . 35 THR CA . 15715 1 383 . 1 1 35 35 THR CB C 13 69.2 0.3 . 1 . . . . 35 THR CB . 15715 1 384 . 1 1 35 35 THR CG2 C 13 21.7 0.3 . 1 . . . . 35 THR CG2 . 15715 1 385 . 1 1 35 35 THR N N 15 118.5 0.3 . 1 . . . . 35 THR N . 15715 1 386 . 1 1 36 36 GLY H H 1 9.32 0.02 . 1 . . . . 36 GLY H . 15715 1 387 . 1 1 36 36 GLY HA2 H 1 4.16 0.02 . 2 . . . . 36 GLY HA2 . 15715 1 388 . 1 1 36 36 GLY HA3 H 1 3.59 0.02 . 2 . . . . 36 GLY HA3 . 15715 1 389 . 1 1 36 36 GLY C C 13 170.7 0.3 . 1 . . . . 36 GLY C . 15715 1 390 . 1 1 36 36 GLY CA C 13 46.4 0.3 . 1 . . . . 36 GLY CA . 15715 1 391 . 1 1 36 36 GLY N N 15 114.3 0.3 . 1 . . . . 36 GLY N . 15715 1 392 . 1 1 37 37 MET H H 1 7.74 0.02 . 1 . . . . 37 MET H . 15715 1 393 . 1 1 37 37 MET HA H 1 3.73 0.02 . 1 . . . . 37 MET HA . 15715 1 394 . 1 1 37 37 MET HB2 H 1 1.86 0.02 . 2 . . . . 37 MET HB2 . 15715 1 395 . 1 1 37 37 MET HB3 H 1 1.18 0.02 . 2 . . . . 37 MET HB3 . 15715 1 396 . 1 1 37 37 MET C C 13 174.0 0.3 . 1 . . . . 37 MET C . 15715 1 397 . 1 1 37 37 MET CA C 13 51.2 0.3 . 1 . . . . 37 MET CA . 15715 1 398 . 1 1 37 37 MET CB C 13 35.3 0.3 . 1 . . . . 37 MET CB . 15715 1 399 . 1 1 37 37 MET N N 15 120.8 0.3 . 1 . . . . 37 MET N . 15715 1 400 . 1 1 38 38 TYR H H 1 9.50 0.02 . 1 . . . . 38 TYR H . 15715 1 401 . 1 1 38 38 TYR HA H 1 4.89 0.02 . 1 . . . . 38 TYR HA . 15715 1 402 . 1 1 38 38 TYR HB2 H 1 3.06 0.02 . 2 . . . . 38 TYR HB2 . 15715 1 403 . 1 1 38 38 TYR HB3 H 1 2.82 0.02 . 2 . . . . 38 TYR HB3 . 15715 1 404 . 1 1 38 38 TYR HD1 H 1 6.72 0.02 . 1 . . . . 38 TYR HD1 . 15715 1 405 . 1 1 38 38 TYR HE1 H 1 7.02 0.02 . 1 . . . . 38 TYR HE1 . 15715 1 406 . 1 1 38 38 TYR C C 13 175.2 0.3 . 1 . . . . 38 TYR C . 15715 1 407 . 1 1 38 38 TYR CA C 13 57.8 0.3 . 1 . . . . 38 TYR CA . 15715 1 408 . 1 1 38 38 TYR CB C 13 38.6 0.3 . 1 . . . . 38 TYR CB . 15715 1 409 . 1 1 38 38 TYR N N 15 121.8 0.3 . 1 . . . . 38 TYR N . 15715 1 410 . 1 1 39 39 HIS H H 1 9.59 0.02 . 1 . . . . 39 HIS H . 15715 1 411 . 1 1 39 39 HIS HA H 1 4.99 0.02 . 1 . . . . 39 HIS HA . 15715 1 412 . 1 1 39 39 HIS HB2 H 1 2.96 0.02 . 2 . . . . 39 HIS HB2 . 15715 1 413 . 1 1 39 39 HIS HB3 H 1 2.51 0.02 . 2 . . . . 39 HIS HB3 . 15715 1 414 . 1 1 39 39 HIS HD1 H 1 6.53 0.02 . 1 . . . . 39 HIS HD1 . 15715 1 415 . 1 1 39 39 HIS C C 13 174.0 0.3 . 1 . . . . 39 HIS C . 15715 1 416 . 1 1 39 39 HIS CA C 13 54.1 0.3 . 1 . . . . 39 HIS CA . 15715 1 417 . 1 1 39 39 HIS CB C 13 32.0 0.3 . 1 . . . . 39 HIS CB . 15715 1 418 . 1 1 39 39 HIS N N 15 126.3 0.3 . 1 . . . . 39 HIS N . 15715 1 419 . 1 1 40 40 CYS H H 1 9.03 0.02 . 1 . . . . 40 CYS H . 15715 1 420 . 1 1 40 40 CYS HA H 1 4.15 0.02 . 1 . . . . 40 CYS HA . 15715 1 421 . 1 1 40 40 CYS HB2 H 1 3.20 0.02 . 2 . . . . 40 CYS HB2 . 15715 1 422 . 1 1 40 40 CYS HB3 H 1 2.92 0.02 . 2 . . . . 40 CYS HB3 . 15715 1 423 . 1 1 40 40 CYS C C 13 179.0 0.3 . 1 . . . . 40 CYS C . 15715 1 424 . 1 1 40 40 CYS CA C 13 60.6 0.3 . 1 . . . . 40 CYS CA . 15715 1 425 . 1 1 40 40 CYS CB C 13 31.6 0.3 . 1 . . . . 40 CYS CB . 15715 1 426 . 1 1 40 40 CYS N N 15 124.5 0.3 . 1 . . . . 40 CYS N . 15715 1 427 . 1 1 41 41 VAL H H 1 8.64 0.02 . 1 . . . . 41 VAL H . 15715 1 428 . 1 1 41 41 VAL HA H 1 3.88 0.02 . 1 . . . . 41 VAL HA . 15715 1 429 . 1 1 41 41 VAL HB H 1 1.75 0.02 . 1 . . . . 41 VAL HB . 15715 1 430 . 1 1 41 41 VAL HG11 H 1 1.11 0.02 . 1 . . . . 41 VAL HG1 . 15715 1 431 . 1 1 41 41 VAL HG12 H 1 1.11 0.02 . 1 . . . . 41 VAL HG1 . 15715 1 432 . 1 1 41 41 VAL HG13 H 1 1.11 0.02 . 1 . . . . 41 VAL HG1 . 15715 1 433 . 1 1 41 41 VAL HG21 H 1 1.11 0.02 . 1 . . . . 41 VAL HG2 . 15715 1 434 . 1 1 41 41 VAL HG22 H 1 1.11 0.02 . 1 . . . . 41 VAL HG2 . 15715 1 435 . 1 1 41 41 VAL HG23 H 1 1.11 0.02 . 1 . . . . 41 VAL HG2 . 15715 1 436 . 1 1 41 41 VAL C C 13 174.7 0.3 . 1 . . . . 41 VAL C . 15715 1 437 . 1 1 41 41 VAL CA C 13 65.1 0.3 . 1 . . . . 41 VAL CA . 15715 1 438 . 1 1 41 41 VAL CB C 13 32.0 0.3 . 1 . . . . 41 VAL CB . 15715 1 439 . 1 1 41 41 VAL CG1 C 13 23.1 0.3 . 1 . . . . 41 VAL CG1 . 15715 1 440 . 1 1 41 41 VAL CG2 C 13 23.2 0.3 . 1 . . . . 41 VAL CG2 . 15715 1 441 . 1 1 41 41 VAL N N 15 132.6 0.3 . 1 . . . . 41 VAL N . 15715 1 442 . 1 1 42 42 CYS H H 1 8.82 0.02 . 1 . . . . 42 CYS H . 15715 1 443 . 1 1 42 42 CYS HA H 1 4.22 0.02 . 1 . . . . 42 CYS HA . 15715 1 444 . 1 1 42 42 CYS HB2 H 1 3.55 0.02 . 2 . . . . 42 CYS HB2 . 15715 1 445 . 1 1 42 42 CYS HB3 H 1 3.51 0.02 . 2 . . . . 42 CYS HB3 . 15715 1 446 . 1 1 42 42 CYS C C 13 175.9 0.3 . 1 . . . . 42 CYS C . 15715 1 447 . 1 1 42 42 CYS CA C 13 62.4 0.3 . 1 . . . . 42 CYS CA . 15715 1 448 . 1 1 42 42 CYS CB C 13 28.3 0.3 . 1 . . . . 42 CYS CB . 15715 1 449 . 1 1 42 42 CYS N N 15 121.1 0.3 . 1 . . . . 42 CYS N . 15715 1 450 . 1 1 43 43 CYS H H 1 8.21 0.02 . 1 . . . . 43 CYS H . 15715 1 451 . 1 1 43 43 CYS HA H 1 5.00 0.02 . 1 . . . . 43 CYS HA . 15715 1 452 . 1 1 43 43 CYS HB2 H 1 3.37 0.02 . 2 . . . . 43 CYS HB2 . 15715 1 453 . 1 1 43 43 CYS HB3 H 1 2.50 0.02 . 2 . . . . 43 CYS HB3 . 15715 1 454 . 1 1 43 43 CYS C C 13 176.5 0.3 . 1 . . . . 43 CYS C . 15715 1 455 . 1 1 43 43 CYS CA C 13 58.8 0.3 . 1 . . . . 43 CYS CA . 15715 1 456 . 1 1 43 43 CYS CB C 13 33.2 0.3 . 1 . . . . 43 CYS CB . 15715 1 457 . 1 1 43 43 CYS N N 15 118.4 0.3 . 1 . . . . 43 CYS N . 15715 1 458 . 1 1 44 44 ASP H H 1 8.39 0.02 . 1 . . . . 44 ASP H . 15715 1 459 . 1 1 44 44 ASP HA H 1 4.69 0.02 . 1 . . . . 44 ASP HA . 15715 1 460 . 1 1 44 44 ASP HB2 H 1 3.13 0.02 . 2 . . . . 44 ASP HB2 . 15715 1 461 . 1 1 44 44 ASP HB3 H 1 2.44 0.02 . 2 . . . . 44 ASP HB3 . 15715 1 462 . 1 1 44 44 ASP C C 13 177.0 0.3 . 1 . . . . 44 ASP C . 15715 1 463 . 1 1 44 44 ASP CA C 13 56.7 0.3 . 1 . . . . 44 ASP CA . 15715 1 464 . 1 1 44 44 ASP CB C 13 42.6 0.3 . 1 . . . . 44 ASP CB . 15715 1 465 . 1 1 44 44 ASP N N 15 122.8 0.3 . 1 . . . . 44 ASP N . 15715 1 466 . 1 1 45 45 SER H H 1 8.83 0.02 . 1 . . . . 45 SER H . 15715 1 467 . 1 1 45 45 SER HA H 1 4.60 0.02 . 1 . . . . 45 SER HA . 15715 1 468 . 1 1 45 45 SER HB2 H 1 3.75 0.02 . 2 . . . . 45 SER HB2 . 15715 1 469 . 1 1 45 45 SER HB3 H 1 3.65 0.02 . 2 . . . . 45 SER HB3 . 15715 1 470 . 1 1 45 45 SER C C 13 172.7 0.3 . 1 . . . . 45 SER C . 15715 1 471 . 1 1 45 45 SER CA C 13 58.9 0.3 . 1 . . . . 45 SER CA . 15715 1 472 . 1 1 45 45 SER CB C 13 63.3 0.3 . 1 . . . . 45 SER CB . 15715 1 473 . 1 1 45 45 SER N N 15 123.7 0.3 . 1 . . . . 45 SER N . 15715 1 474 . 1 1 46 46 PRO HA H 1 2.99 0.02 . 1 . . . . 46 PRO HA . 15715 1 475 . 1 1 46 46 PRO HB2 H 1 1.33 0.02 . 2 . . . . 46 PRO HB2 . 15715 1 476 . 1 1 46 46 PRO HB3 H 1 1.27 0.02 . 2 . . . . 46 PRO HB3 . 15715 1 477 . 1 1 46 46 PRO HD2 H 1 2.92 0.02 . 1 . . . . 46 PRO HD2 . 15715 1 478 . 1 1 46 46 PRO HG2 H 1 2.09 0.02 . 2 . . . . 46 PRO HG2 . 15715 1 479 . 1 1 46 46 PRO HG3 H 1 1.91 0.02 . 2 . . . . 46 PRO HG3 . 15715 1 480 . 1 1 46 46 PRO C C 13 175.3 0.3 . 1 . . . . 46 PRO C . 15715 1 481 . 1 1 46 46 PRO CA C 13 63.3 0.3 . 1 . . . . 46 PRO CA . 15715 1 482 . 1 1 46 46 PRO CB C 13 31.0 0.3 . 1 . . . . 46 PRO CB . 15715 1 483 . 1 1 46 46 PRO CD C 13 57.2 0.3 . 1 . . . . 46 PRO CD . 15715 1 484 . 1 1 47 47 LEU H H 1 7.99 0.02 . 1 . . . . 47 LEU H . 15715 1 485 . 1 1 47 47 LEU HA H 1 4.23 0.02 . 1 . . . . 47 LEU HA . 15715 1 486 . 1 1 47 47 LEU HB2 H 1 1.57 0.02 . 2 . . . . 47 LEU HB2 . 15715 1 487 . 1 1 47 47 LEU HB3 H 1 1.48 0.02 . 2 . . . . 47 LEU HB3 . 15715 1 488 . 1 1 47 47 LEU HD11 H 1 0.87 0.02 . 1 . . . . 47 LEU HD1 . 15715 1 489 . 1 1 47 47 LEU HD12 H 1 0.87 0.02 . 1 . . . . 47 LEU HD1 . 15715 1 490 . 1 1 47 47 LEU HD13 H 1 0.87 0.02 . 1 . . . . 47 LEU HD1 . 15715 1 491 . 1 1 47 47 LEU HD21 H 1 0.81 0.02 . 1 . . . . 47 LEU HD2 . 15715 1 492 . 1 1 47 47 LEU HD22 H 1 0.81 0.02 . 1 . . . . 47 LEU HD2 . 15715 1 493 . 1 1 47 47 LEU HD23 H 1 0.81 0.02 . 1 . . . . 47 LEU HD2 . 15715 1 494 . 1 1 47 47 LEU HG H 1 1.56 0.02 . 1 . . . . 47 LEU HG . 15715 1 495 . 1 1 47 47 LEU C C 13 176.2 0.3 . 1 . . . . 47 LEU C . 15715 1 496 . 1 1 47 47 LEU CA C 13 55.5 0.3 . 1 . . . . 47 LEU CA . 15715 1 497 . 1 1 47 47 LEU CB C 13 42.1 0.3 . 1 . . . . 47 LEU CB . 15715 1 498 . 1 1 47 47 LEU CD1 C 13 25.5 0.3 . 1 . . . . 47 LEU CD1 . 15715 1 499 . 1 1 47 47 LEU CD2 C 13 24.9 0.3 . 1 . . . . 47 LEU CD2 . 15715 1 500 . 1 1 47 47 LEU CG C 13 27.1 0.3 . 1 . . . . 47 LEU CG . 15715 1 501 . 1 1 47 47 LEU N N 15 120.8 0.3 . 1 . . . . 47 LEU N . 15715 1 502 . 1 1 48 48 PHE H H 1 7.65 0.02 . 1 . . . . 48 PHE H . 15715 1 503 . 1 1 48 48 PHE HA H 1 4.68 0.02 . 1 . . . . 48 PHE HA . 15715 1 504 . 1 1 48 48 PHE HB2 H 1 2.13 0.02 . 2 . . . . 48 PHE HB2 . 15715 1 505 . 1 1 48 48 PHE HB3 H 1 1.49 0.02 . 2 . . . . 48 PHE HB3 . 15715 1 506 . 1 1 48 48 PHE HD1 H 1 6.85 0.02 . 1 . . . . 48 PHE HD1 . 15715 1 507 . 1 1 48 48 PHE C C 13 173.3 0.3 . 1 . . . . 48 PHE C . 15715 1 508 . 1 1 48 48 PHE CA C 13 56.7 0.3 . 1 . . . . 48 PHE CA . 15715 1 509 . 1 1 48 48 PHE CB C 13 44.9 0.3 . 1 . . . . 48 PHE CB . 15715 1 510 . 1 1 48 48 PHE N N 15 114.1 0.3 . 1 . . . . 48 PHE N . 15715 1 511 . 1 1 49 49 SER H H 1 9.92 0.02 . 1 . . . . 49 SER H . 15715 1 512 . 1 1 49 49 SER HA H 1 5.35 0.02 . 1 . . . . 49 SER HA . 15715 1 513 . 1 1 49 49 SER HB2 H 1 4.04 0.02 . 2 . . . . 49 SER HB2 . 15715 1 514 . 1 1 49 49 SER HB3 H 1 3.86 0.02 . 2 . . . . 49 SER HB3 . 15715 1 515 . 1 1 49 49 SER C C 13 177.3 0.3 . 1 . . . . 49 SER C . 15715 1 516 . 1 1 49 49 SER CA C 13 56.6 0.3 . 1 . . . . 49 SER CA . 15715 1 517 . 1 1 49 49 SER CB C 13 64.7 0.3 . 1 . . . . 49 SER CB . 15715 1 518 . 1 1 49 49 SER N N 15 118.2 0.3 . 1 . . . . 49 SER N . 15715 1 519 . 1 1 50 50 SER H H 1 8.99 0.02 . 1 . . . . 50 SER H . 15715 1 520 . 1 1 50 50 SER HA H 1 4.41 0.02 . 1 . . . . 50 SER HA . 15715 1 521 . 1 1 50 50 SER HB2 H 1 4.28 0.02 . 2 . . . . 50 SER HB2 . 15715 1 522 . 1 1 50 50 SER HB3 H 1 4.18 0.02 . 2 . . . . 50 SER HB3 . 15715 1 523 . 1 1 50 50 SER C C 13 177.1 0.3 . 1 . . . . 50 SER C . 15715 1 524 . 1 1 50 50 SER CA C 13 62.2 0.3 . 1 . . . . 50 SER CA . 15715 1 525 . 1 1 50 50 SER CB C 13 63.0 0.3 . 1 . . . . 50 SER CB . 15715 1 526 . 1 1 50 50 SER N N 15 122.5 0.3 . 1 . . . . 50 SER N . 15715 1 527 . 1 1 51 51 GLU H H 1 8.79 0.02 . 1 . . . . 51 GLU H . 15715 1 528 . 1 1 51 51 GLU HA H 1 4.32 0.02 . 1 . . . . 51 GLU HA . 15715 1 529 . 1 1 51 51 GLU HB2 H 1 2.24 0.02 . 2 . . . . 51 GLU HB2 . 15715 1 530 . 1 1 51 51 GLU HB3 H 1 2.10 0.02 . 2 . . . . 51 GLU HB3 . 15715 1 531 . 1 1 51 51 GLU HG2 H 1 2.45 0.02 . 2 . . . . 51 GLU HG2 . 15715 1 532 . 1 1 51 51 GLU HG3 H 1 2.41 0.02 . 2 . . . . 51 GLU HG3 . 15715 1 533 . 1 1 51 51 GLU C C 13 177.3 0.3 . 1 . . . . 51 GLU C . 15715 1 534 . 1 1 51 51 GLU CA C 13 58.5 0.3 . 1 . . . . 51 GLU CA . 15715 1 535 . 1 1 51 51 GLU CB C 13 30.1 0.3 . 1 . . . . 51 GLU CB . 15715 1 536 . 1 1 51 51 GLU CG C 13 36.1 0.3 . 1 . . . . 51 GLU CG . 15715 1 537 . 1 1 51 51 GLU N N 15 123.4 0.3 . 1 . . . . 51 GLU N . 15715 1 538 . 1 1 52 52 LYS H H 1 7.59 0.02 . 1 . . . . 52 LYS H . 15715 1 539 . 1 1 52 52 LYS HA H 1 4.84 0.02 . 1 . . . . 52 LYS HA . 15715 1 540 . 1 1 52 52 LYS HB2 H 1 2.66 0.02 . 2 . . . . 52 LYS HB2 . 15715 1 541 . 1 1 52 52 LYS HB3 H 1 2.40 0.02 . 2 . . . . 52 LYS HB3 . 15715 1 542 . 1 1 52 52 LYS HD2 H 1 1.37 0.02 . 1 . . . . 52 LYS HD2 . 15715 1 543 . 1 1 52 52 LYS HE2 H 1 2.90 0.02 . 1 . . . . 52 LYS HE2 . 15715 1 544 . 1 1 52 52 LYS HG2 H 1 1.70 0.02 . 1 . . . . 52 LYS HG2 . 15715 1 545 . 1 1 52 52 LYS C C 13 175.1 0.3 . 1 . . . . 52 LYS C . 15715 1 546 . 1 1 52 52 LYS CA C 13 52.4 0.3 . 1 . . . . 52 LYS CA . 15715 1 547 . 1 1 52 52 LYS CB C 13 31.3 0.3 . 1 . . . . 52 LYS CB . 15715 1 548 . 1 1 52 52 LYS CD C 13 24.5 0.3 . 1 . . . . 52 LYS CD . 15715 1 549 . 1 1 52 52 LYS CE C 13 41.8 0.3 . 1 . . . . 52 LYS CE . 15715 1 550 . 1 1 52 52 LYS N N 15 115.0 0.3 . 1 . . . . 52 LYS N . 15715 1 551 . 1 1 53 53 LYS H H 1 7.61 0.02 . 1 . . . . 53 LYS H . 15715 1 552 . 1 1 53 53 LYS HA H 1 4.64 0.02 . 1 . . . . 53 LYS HA . 15715 1 553 . 1 1 53 53 LYS HB2 H 1 2.11 0.02 . 2 . . . . 53 LYS HB2 . 15715 1 554 . 1 1 53 53 LYS HB3 H 1 1.61 0.02 . 2 . . . . 53 LYS HB3 . 15715 1 555 . 1 1 53 53 LYS HD2 H 1 1.46 0.02 . 1 . . . . 53 LYS HD2 . 15715 1 556 . 1 1 53 53 LYS HE2 H 1 2.90 0.02 . 1 . . . . 53 LYS HE2 . 15715 1 557 . 1 1 53 53 LYS HG2 H 1 1.33 0.02 . 1 . . . . 53 LYS HG2 . 15715 1 558 . 1 1 53 53 LYS C C 13 175.7 0.3 . 1 . . . . 53 LYS C . 15715 1 559 . 1 1 53 53 LYS CA C 13 55.3 0.3 . 1 . . . . 53 LYS CA . 15715 1 560 . 1 1 53 53 LYS CB C 13 34.6 0.3 . 1 . . . . 53 LYS CB . 15715 1 561 . 1 1 53 53 LYS CD C 13 28.9 0.3 . 1 . . . . 53 LYS CD . 15715 1 562 . 1 1 53 53 LYS CE C 13 43.6 0.3 . 1 . . . . 53 LYS CE . 15715 1 563 . 1 1 53 53 LYS CG C 13 24.4 0.3 . 1 . . . . 53 LYS CG . 15715 1 564 . 1 1 53 53 LYS N N 15 125.2 0.3 . 1 . . . . 53 LYS N . 15715 1 565 . 1 1 54 54 TYR H H 1 8.52 0.02 . 1 . . . . 54 TYR H . 15715 1 566 . 1 1 54 54 TYR HA H 1 5.01 0.02 . 1 . . . . 54 TYR HA . 15715 1 567 . 1 1 54 54 TYR HB2 H 1 2.98 0.02 . 2 . . . . 54 TYR HB2 . 15715 1 568 . 1 1 54 54 TYR HB3 H 1 2.88 0.02 . 2 . . . . 54 TYR HB3 . 15715 1 569 . 1 1 54 54 TYR HD1 H 1 6.81 0.02 . 1 . . . . 54 TYR HD1 . 15715 1 570 . 1 1 54 54 TYR C C 13 173.2 0.3 . 1 . . . . 54 TYR C . 15715 1 571 . 1 1 54 54 TYR CA C 13 55.5 0.3 . 1 . . . . 54 TYR CA . 15715 1 572 . 1 1 54 54 TYR CB C 13 41.0 0.3 . 1 . . . . 54 TYR CB . 15715 1 573 . 1 1 54 54 TYR N N 15 126.9 0.3 . 1 . . . . 54 TYR N . 15715 1 574 . 1 1 56 56 SER HA H 1 4.51 0.02 . 1 . . . . 56 SER HA . 15715 1 575 . 1 1 56 56 SER HB2 H 1 4.09 0.02 . 2 . . . . 56 SER HB2 . 15715 1 576 . 1 1 56 56 SER HB3 H 1 3.50 0.02 . 2 . . . . 56 SER HB3 . 15715 1 577 . 1 1 56 56 SER C C 13 175.3 0.3 . 1 . . . . 56 SER C . 15715 1 578 . 1 1 56 56 SER CA C 13 58.5 0.3 . 1 . . . . 56 SER CA . 15715 1 579 . 1 1 56 56 SER CB C 13 64.9 0.3 . 1 . . . . 56 SER CB . 15715 1 580 . 1 1 57 57 GLY H H 1 8.39 0.02 . 1 . . . . 57 GLY H . 15715 1 581 . 1 1 57 57 GLY HA2 H 1 4.16 0.02 . 2 . . . . 57 GLY HA2 . 15715 1 582 . 1 1 57 57 GLY HA3 H 1 3.61 0.02 . 2 . . . . 57 GLY HA3 . 15715 1 583 . 1 1 57 57 GLY C C 13 174.2 0.3 . 1 . . . . 57 GLY C . 15715 1 584 . 1 1 57 57 GLY CA C 13 45.8 0.3 . 1 . . . . 57 GLY CA . 15715 1 585 . 1 1 57 57 GLY N N 15 113.2 0.3 . 1 . . . . 57 GLY N . 15715 1 586 . 1 1 58 58 THR H H 1 7.30 0.02 . 1 . . . . 58 THR H . 15715 1 587 . 1 1 58 58 THR HA H 1 4.40 0.02 . 1 . . . . 58 THR HA . 15715 1 588 . 1 1 58 58 THR HB H 1 4.38 0.02 . 1 . . . . 58 THR HB . 15715 1 589 . 1 1 58 58 THR HG21 H 1 1.11 0.02 . 1 . . . . 58 THR HG2 . 15715 1 590 . 1 1 58 58 THR HG22 H 1 1.11 0.02 . 1 . . . . 58 THR HG2 . 15715 1 591 . 1 1 58 58 THR HG23 H 1 1.11 0.02 . 1 . . . . 58 THR HG2 . 15715 1 592 . 1 1 58 58 THR C C 13 174.5 0.3 . 1 . . . . 58 THR C . 15715 1 593 . 1 1 58 58 THR CA C 13 60.9 0.3 . 1 . . . . 58 THR CA . 15715 1 594 . 1 1 58 58 THR CB C 13 71.7 0.3 . 1 . . . . 58 THR CB . 15715 1 595 . 1 1 58 58 THR CG2 C 13 21.3 0.3 . 1 . . . . 58 THR CG2 . 15715 1 596 . 1 1 58 58 THR N N 15 107.9 0.3 . 1 . . . . 58 THR N . 15715 1 597 . 1 1 59 59 GLY H H 1 8.12 0.02 . 1 . . . . 59 GLY H . 15715 1 598 . 1 1 59 59 GLY HA2 H 1 1.56 0.02 . 2 . . . . 59 GLY HA2 . 15715 1 599 . 1 1 59 59 GLY HA3 H 1 1.48 0.02 . 2 . . . . 59 GLY HA3 . 15715 1 600 . 1 1 59 59 GLY C C 13 172.8 0.3 . 1 . . . . 59 GLY C . 15715 1 601 . 1 1 59 59 GLY CA C 13 43.3 0.3 . 1 . . . . 59 GLY CA . 15715 1 602 . 1 1 59 59 GLY N N 15 105.1 0.3 . 1 . . . . 59 GLY N . 15715 1 603 . 1 1 60 60 TRP H H 1 6.90 0.02 . 1 . . . . 60 TRP H . 15715 1 604 . 1 1 60 60 TRP HA H 1 4.86 0.02 . 1 . . . . 60 TRP HA . 15715 1 605 . 1 1 60 60 TRP HB2 H 1 3.24 0.02 . 2 . . . . 60 TRP HB2 . 15715 1 606 . 1 1 60 60 TRP HB3 H 1 2.79 0.02 . 2 . . . . 60 TRP HB3 . 15715 1 607 . 1 1 60 60 TRP HD1 H 1 7.10 0.02 . 1 . . . . 60 TRP HD1 . 15715 1 608 . 1 1 60 60 TRP C C 13 173.0 0.3 . 1 . . . . 60 TRP C . 15715 1 609 . 1 1 60 60 TRP CA C 13 58.0 0.3 . 1 . . . . 60 TRP CA . 15715 1 610 . 1 1 60 60 TRP CB C 13 30.4 0.3 . 1 . . . . 60 TRP CB . 15715 1 611 . 1 1 60 60 TRP N N 15 119.7 0.3 . 1 . . . . 60 TRP N . 15715 1 612 . 1 1 61 61 PRO HA H 1 3.92 0.02 . 1 . . . . 61 PRO HA . 15715 1 613 . 1 1 61 61 PRO HB2 H 1 2.13 0.02 . 2 . . . . 61 PRO HB2 . 15715 1 614 . 1 1 61 61 PRO HB3 H 1 1.41 0.02 . 2 . . . . 61 PRO HB3 . 15715 1 615 . 1 1 61 61 PRO HD2 H 1 4.23 0.02 . 2 . . . . 61 PRO HD2 . 15715 1 616 . 1 1 61 61 PRO HD3 H 1 4.37 0.02 . 2 . . . . 61 PRO HD3 . 15715 1 617 . 1 1 61 61 PRO HG2 H 1 1.59 0.02 . 1 . . . . 61 PRO HG2 . 15715 1 618 . 1 1 61 61 PRO CA C 13 63.7 0.3 . 1 . . . . 61 PRO CA . 15715 1 619 . 1 1 61 61 PRO CB C 13 31.8 0.3 . 1 . . . . 61 PRO CB . 15715 1 620 . 1 1 61 61 PRO CD C 13 49.7 0.3 . 1 . . . . 61 PRO CD . 15715 1 621 . 1 1 61 61 PRO CG C 13 30.0 0.3 . 1 . . . . 61 PRO CG . 15715 1 622 . 1 1 62 62 SER H H 1 8.00 0.02 . 1 . . . . 62 SER H . 15715 1 623 . 1 1 62 62 SER HA H 1 5.86 0.02 . 1 . . . . 62 SER HA . 15715 1 624 . 1 1 62 62 SER HB2 H 1 3.34 0.02 . 2 . . . . 62 SER HB2 . 15715 1 625 . 1 1 62 62 SER HB3 H 1 3.23 0.02 . 2 . . . . 62 SER HB3 . 15715 1 626 . 1 1 62 62 SER C C 13 171.7 0.3 . 1 . . . . 62 SER C . 15715 1 627 . 1 1 62 62 SER CA C 13 55.0 0.3 . 1 . . . . 62 SER CA . 15715 1 628 . 1 1 62 62 SER CB C 13 66.0 0.3 . 1 . . . . 62 SER CB . 15715 1 629 . 1 1 62 62 SER N N 15 117.3 0.3 . 1 . . . . 62 SER N . 15715 1 630 . 1 1 63 63 PHE H H 1 8.54 0.02 . 1 . . . . 63 PHE H . 15715 1 631 . 1 1 63 63 PHE HA H 1 5.90 0.02 . 1 . . . . 63 PHE HA . 15715 1 632 . 1 1 63 63 PHE HB2 H 1 3.06 0.02 . 2 . . . . 63 PHE HB2 . 15715 1 633 . 1 1 63 63 PHE HB3 H 1 2.99 0.02 . 2 . . . . 63 PHE HB3 . 15715 1 634 . 1 1 63 63 PHE HD1 H 1 7.07 0.02 . 1 . . . . 63 PHE HD1 . 15715 1 635 . 1 1 63 63 PHE C C 13 176.5 0.3 . 1 . . . . 63 PHE C . 15715 1 636 . 1 1 63 63 PHE CA C 13 54.6 0.3 . 1 . . . . 63 PHE CA . 15715 1 637 . 1 1 63 63 PHE CB C 13 43.9 0.3 . 1 . . . . 63 PHE CB . 15715 1 638 . 1 1 63 63 PHE N N 15 118.9 0.3 . 1 . . . . 63 PHE N . 15715 1 639 . 1 1 64 64 SER H H 1 9.84 0.02 . 1 . . . . 64 SER H . 15715 1 640 . 1 1 64 64 SER HA H 1 5.51 0.02 . 1 . . . . 64 SER HA . 15715 1 641 . 1 1 64 64 SER HB2 H 1 4.33 0.02 . 2 . . . . 64 SER HB2 . 15715 1 642 . 1 1 64 64 SER HB3 H 1 3.63 0.02 . 2 . . . . 64 SER HB3 . 15715 1 643 . 1 1 64 64 SER C C 13 174.3 0.3 . 1 . . . . 64 SER C . 15715 1 644 . 1 1 64 64 SER CA C 13 58.6 0.3 . 1 . . . . 64 SER CA . 15715 1 645 . 1 1 64 64 SER CB C 13 64.4 0.3 . 1 . . . . 64 SER CB . 15715 1 646 . 1 1 64 64 SER N N 15 116.8 0.3 . 1 . . . . 64 SER N . 15715 1 647 . 1 1 65 65 GLU H H 1 7.24 0.02 . 1 . . . . 65 GLU H . 15715 1 648 . 1 1 65 65 GLU HA H 1 4.67 0.02 . 1 . . . . 65 GLU HA . 15715 1 649 . 1 1 65 65 GLU HB2 H 1 2.13 0.02 . 2 . . . . 65 GLU HB2 . 15715 1 650 . 1 1 65 65 GLU HB3 H 1 2.11 0.02 . 2 . . . . 65 GLU HB3 . 15715 1 651 . 1 1 65 65 GLU HG2 H 1 2.45 0.02 . 2 . . . . 65 GLU HG2 . 15715 1 652 . 1 1 65 65 GLU HG3 H 1 2.26 0.02 . 2 . . . . 65 GLU HG3 . 15715 1 653 . 1 1 65 65 GLU C C 13 174.2 0.3 . 1 . . . . 65 GLU C . 15715 1 654 . 1 1 65 65 GLU CA C 13 56.2 0.3 . 1 . . . . 65 GLU CA . 15715 1 655 . 1 1 65 65 GLU CB C 13 33.8 0.3 . 1 . . . . 65 GLU CB . 15715 1 656 . 1 1 65 65 GLU CG C 13 37.2 0.3 . 1 . . . . 65 GLU CG . 15715 1 657 . 1 1 65 65 GLU N N 15 117.3 0.3 . 1 . . . . 65 GLU N . 15715 1 658 . 1 1 66 66 ALA H H 1 8.86 0.02 . 1 . . . . 66 ALA H . 15715 1 659 . 1 1 66 66 ALA HA H 1 4.10 0.02 . 1 . . . . 66 ALA HA . 15715 1 660 . 1 1 66 66 ALA HB1 H 1 0.82 0.02 . 1 . . . . 66 ALA HB . 15715 1 661 . 1 1 66 66 ALA HB2 H 1 0.82 0.02 . 1 . . . . 66 ALA HB . 15715 1 662 . 1 1 66 66 ALA HB3 H 1 0.82 0.02 . 1 . . . . 66 ALA HB . 15715 1 663 . 1 1 66 66 ALA C C 13 176.9 0.3 . 1 . . . . 66 ALA C . 15715 1 664 . 1 1 66 66 ALA CA C 13 50.7 0.3 . 1 . . . . 66 ALA CA . 15715 1 665 . 1 1 66 66 ALA CB C 13 18.6 0.3 . 1 . . . . 66 ALA CB . 15715 1 666 . 1 1 66 66 ALA N N 15 127.3 0.3 . 1 . . . . 66 ALA N . 15715 1 667 . 1 1 67 67 TYR H H 1 7.67 0.02 . 1 . . . . 67 TYR H . 15715 1 668 . 1 1 67 67 TYR HA H 1 4.48 0.02 . 1 . . . . 67 TYR HA . 15715 1 669 . 1 1 67 67 TYR HB2 H 1 2.43 0.02 . 2 . . . . 67 TYR HB2 . 15715 1 670 . 1 1 67 67 TYR HB3 H 1 2.12 0.02 . 2 . . . . 67 TYR HB3 . 15715 1 671 . 1 1 67 67 TYR HD1 H 1 6.78 0.02 . 1 . . . . 67 TYR HD1 . 15715 1 672 . 1 1 67 67 TYR C C 13 176.6 0.3 . 1 . . . . 67 TYR C . 15715 1 673 . 1 1 67 67 TYR CA C 13 59.8 0.3 . 1 . . . . 67 TYR CA . 15715 1 674 . 1 1 67 67 TYR CB C 13 38.1 0.3 . 1 . . . . 67 TYR CB . 15715 1 675 . 1 1 67 67 TYR N N 15 126.2 0.3 . 1 . . . . 67 TYR N . 15715 1 676 . 1 1 68 68 GLY H H 1 8.37 0.02 . 1 . . . . 68 GLY H . 15715 1 677 . 1 1 68 68 GLY HA2 H 1 3.90 0.02 . 2 . . . . 68 GLY HA2 . 15715 1 678 . 1 1 68 68 GLY HA3 H 1 3.13 0.02 . 2 . . . . 68 GLY HA3 . 15715 1 679 . 1 1 68 68 GLY C C 13 175.6 0.3 . 1 . . . . 68 GLY C . 15715 1 680 . 1 1 68 68 GLY CA C 13 43.9 0.3 . 1 . . . . 68 GLY CA . 15715 1 681 . 1 1 68 68 GLY N N 15 116.0 0.3 . 1 . . . . 68 GLY N . 15715 1 682 . 1 1 69 69 SER H H 1 7.55 0.02 . 1 . . . . 69 SER H . 15715 1 683 . 1 1 69 69 SER HA H 1 3.98 0.02 . 1 . . . . 69 SER HA . 15715 1 684 . 1 1 69 69 SER HB2 H 1 3.90 0.02 . 2 . . . . 69 SER HB2 . 15715 1 685 . 1 1 69 69 SER HB3 H 1 3.87 0.02 . 2 . . . . 69 SER HB3 . 15715 1 686 . 1 1 69 69 SER C C 13 172.9 0.3 . 1 . . . . 69 SER C . 15715 1 687 . 1 1 69 69 SER CA C 13 60.6 0.3 . 1 . . . . 69 SER CA . 15715 1 688 . 1 1 69 69 SER CB C 13 63.9 0.3 . 1 . . . . 69 SER CB . 15715 1 689 . 1 1 69 69 SER N N 15 119.5 0.3 . 1 . . . . 69 SER N . 15715 1 690 . 1 1 70 70 LYS H H 1 8.14 0.02 . 1 . . . . 70 LYS H . 15715 1 691 . 1 1 70 70 LYS HA H 1 4.59 0.02 . 1 . . . . 70 LYS HA . 15715 1 692 . 1 1 70 70 LYS HB2 H 1 1.76 0.02 . 2 . . . . 70 LYS HB2 . 15715 1 693 . 1 1 70 70 LYS HB3 H 1 1.72 0.02 . 2 . . . . 70 LYS HB3 . 15715 1 694 . 1 1 70 70 LYS HD2 H 1 1.66 0.02 . 2 . . . . 70 LYS HD2 . 15715 1 695 . 1 1 70 70 LYS HD3 H 1 1.59 0.02 . 2 . . . . 70 LYS HD3 . 15715 1 696 . 1 1 70 70 LYS HE2 H 1 3.09 0.02 . 1 . . . . 70 LYS HE2 . 15715 1 697 . 1 1 70 70 LYS HG2 H 1 1.38 0.02 . 1 . . . . 70 LYS HG2 . 15715 1 698 . 1 1 70 70 LYS C C 13 176.6 0.3 . 1 . . . . 70 LYS C . 15715 1 699 . 1 1 70 70 LYS CA C 13 54.7 0.3 . 1 . . . . 70 LYS CA . 15715 1 700 . 1 1 70 70 LYS CB C 13 32.6 0.3 . 1 . . . . 70 LYS CB . 15715 1 701 . 1 1 70 70 LYS CD C 13 31.7 0.3 . 1 . . . . 70 LYS CD . 15715 1 702 . 1 1 70 70 LYS CE C 13 43.7 0.3 . 1 . . . . 70 LYS CE . 15715 1 703 . 1 1 70 70 LYS CG C 13 31.3 0.3 . 1 . . . . 70 LYS CG . 15715 1 704 . 1 1 70 70 LYS N N 15 126.1 0.3 . 1 . . . . 70 LYS N . 15715 1 705 . 1 1 71 71 GLY H H 1 9.04 0.02 . 1 . . . . 71 GLY H . 15715 1 706 . 1 1 71 71 GLY HA2 H 1 4.02 0.02 . 2 . . . . 71 GLY HA2 . 15715 1 707 . 1 1 71 71 GLY HA3 H 1 3.58 0.02 . 2 . . . . 71 GLY HA3 . 15715 1 708 . 1 1 71 71 GLY C C 13 175.2 0.3 . 1 . . . . 71 GLY C . 15715 1 709 . 1 1 71 71 GLY CA C 13 46.7 0.3 . 1 . . . . 71 GLY CA . 15715 1 710 . 1 1 71 71 GLY N N 15 117.8 0.3 . 1 . . . . 71 GLY N . 15715 1 711 . 1 1 72 72 SER H H 1 8.87 0.02 . 1 . . . . 72 SER H . 15715 1 712 . 1 1 72 72 SER HA H 1 4.41 0.02 . 1 . . . . 72 SER HA . 15715 1 713 . 1 1 72 72 SER HB2 H 1 3.99 0.02 . 2 . . . . 72 SER HB2 . 15715 1 714 . 1 1 72 72 SER HB3 H 1 3.83 0.02 . 2 . . . . 72 SER HB3 . 15715 1 715 . 1 1 72 72 SER C C 13 174.1 0.3 . 1 . . . . 72 SER C . 15715 1 716 . 1 1 72 72 SER CA C 13 59.1 0.3 . 1 . . . . 72 SER CA . 15715 1 717 . 1 1 72 72 SER CB C 13 63.3 0.3 . 1 . . . . 72 SER CB . 15715 1 718 . 1 1 72 72 SER N N 15 122.5 0.3 . 1 . . . . 72 SER N . 15715 1 719 . 1 1 73 73 ASP H H 1 7.90 0.02 . 1 . . . . 73 ASP H . 15715 1 720 . 1 1 73 73 ASP HA H 1 4.68 0.02 . 1 . . . . 73 ASP HA . 15715 1 721 . 1 1 73 73 ASP HB2 H 1 2.42 0.02 . 2 . . . . 73 ASP HB2 . 15715 1 722 . 1 1 73 73 ASP HB3 H 1 2.70 0.02 . 2 . . . . 73 ASP HB3 . 15715 1 723 . 1 1 73 73 ASP C C 13 177.6 0.3 . 1 . . . . 73 ASP C . 15715 1 724 . 1 1 73 73 ASP CA C 13 52.9 0.3 . 1 . . . . 73 ASP CA . 15715 1 725 . 1 1 73 73 ASP CB C 13 40.1 0.3 . 1 . . . . 73 ASP CB . 15715 1 726 . 1 1 73 73 ASP N N 15 121.3 0.3 . 1 . . . . 73 ASP N . 15715 1 727 . 1 1 74 74 GLU H H 1 9.24 0.02 . 1 . . . . 74 GLU H . 15715 1 728 . 1 1 74 74 GLU HA H 1 4.46 0.02 . 1 . . . . 74 GLU HA . 15715 1 729 . 1 1 74 74 GLU HB2 H 1 2.24 0.02 . 2 . . . . 74 GLU HB2 . 15715 1 730 . 1 1 74 74 GLU HB3 H 1 1.90 0.02 . 2 . . . . 74 GLU HB3 . 15715 1 731 . 1 1 74 74 GLU HG2 H 1 2.33 0.02 . 2 . . . . 74 GLU HG2 . 15715 1 732 . 1 1 74 74 GLU HG3 H 1 1.98 0.02 . 2 . . . . 74 GLU HG3 . 15715 1 733 . 1 1 74 74 GLU C C 13 178.8 0.3 . 1 . . . . 74 GLU C . 15715 1 734 . 1 1 74 74 GLU CA C 13 55.0 0.3 . 1 . . . . 74 GLU CA . 15715 1 735 . 1 1 74 74 GLU CB C 13 29.1 0.3 . 1 . . . . 74 GLU CB . 15715 1 736 . 1 1 74 74 GLU CG C 13 36.2 0.3 . 1 . . . . 74 GLU CG . 15715 1 737 . 1 1 74 74 GLU N N 15 129.5 0.3 . 1 . . . . 74 GLU N . 15715 1 738 . 1 1 75 75 SER H H 1 9.07 0.02 . 1 . . . . 75 SER H . 15715 1 739 . 1 1 75 75 SER HA H 1 3.72 0.02 . 1 . . . . 75 SER HA . 15715 1 740 . 1 1 75 75 SER HB2 H 1 4.02 0.02 . 2 . . . . 75 SER HB2 . 15715 1 741 . 1 1 75 75 SER HB3 H 1 3.99 0.02 . 2 . . . . 75 SER HB3 . 15715 1 742 . 1 1 75 75 SER C C 13 175.3 0.3 . 1 . . . . 75 SER C . 15715 1 743 . 1 1 75 75 SER CA C 13 62.7 0.3 . 1 . . . . 75 SER CA . 15715 1 744 . 1 1 75 75 SER CB C 13 62.6 0.3 . 1 . . . . 75 SER CB . 15715 1 745 . 1 1 75 75 SER N N 15 122.7 0.3 . 1 . . . . 75 SER N . 15715 1 746 . 1 1 76 76 HIS H H 1 8.89 0.02 . 1 . . . . 76 HIS H . 15715 1 747 . 1 1 76 76 HIS HA H 1 4.90 0.02 . 1 . . . . 76 HIS HA . 15715 1 748 . 1 1 76 76 HIS HB2 H 1 3.47 0.02 . 2 . . . . 76 HIS HB2 . 15715 1 749 . 1 1 76 76 HIS HB3 H 1 2.79 0.02 . 2 . . . . 76 HIS HB3 . 15715 1 750 . 1 1 76 76 HIS C C 13 174.8 0.3 . 1 . . . . 76 HIS C . 15715 1 751 . 1 1 76 76 HIS CA C 13 54.8 0.3 . 1 . . . . 76 HIS CA . 15715 1 752 . 1 1 76 76 HIS CB C 13 27.4 0.3 . 1 . . . . 76 HIS CB . 15715 1 753 . 1 1 76 76 HIS N N 15 119.6 0.3 . 1 . . . . 76 HIS N . 15715 1 754 . 1 1 77 77 THR H H 1 7.08 0.02 . 1 . . . . 77 THR H . 15715 1 755 . 1 1 77 77 THR HA H 1 4.77 0.02 . 1 . . . . 77 THR HA . 15715 1 756 . 1 1 77 77 THR HB H 1 4.22 0.02 . 1 . . . . 77 THR HB . 15715 1 757 . 1 1 77 77 THR HG21 H 1 0.90 0.02 . 1 . . . . 77 THR HG2 . 15715 1 758 . 1 1 77 77 THR HG22 H 1 0.90 0.02 . 1 . . . . 77 THR HG2 . 15715 1 759 . 1 1 77 77 THR HG23 H 1 0.90 0.02 . 1 . . . . 77 THR HG2 . 15715 1 760 . 1 1 77 77 THR C C 13 174.0 0.3 . 1 . . . . 77 THR C . 15715 1 761 . 1 1 77 77 THR CA C 13 60.7 0.3 . 1 . . . . 77 THR CA . 15715 1 762 . 1 1 77 77 THR CB C 13 70.6 0.3 . 1 . . . . 77 THR CB . 15715 1 763 . 1 1 77 77 THR CG2 C 13 21.7 0.3 . 1 . . . . 77 THR CG2 . 15715 1 764 . 1 1 77 77 THR N N 15 109.6 0.3 . 1 . . . . 77 THR N . 15715 1 765 . 1 1 78 78 GLY H H 1 9.19 0.02 . 1 . . . . 78 GLY H . 15715 1 766 . 1 1 78 78 GLY HA2 H 1 4.42 0.02 . 2 . . . . 78 GLY HA2 . 15715 1 767 . 1 1 78 78 GLY HA3 H 1 3.56 0.02 . 2 . . . . 78 GLY HA3 . 15715 1 768 . 1 1 78 78 GLY C C 13 174.8 0.3 . 1 . . . . 78 GLY C . 15715 1 769 . 1 1 78 78 GLY CA C 13 44.5 0.3 . 1 . . . . 78 GLY CA . 15715 1 770 . 1 1 78 78 GLY N N 15 106.0 0.3 . 1 . . . . 78 GLY N . 15715 1 771 . 1 1 79 79 ILE H H 1 7.48 0.02 . 1 . . . . 79 ILE H . 15715 1 772 . 1 1 79 79 ILE HA H 1 5.31 0.02 . 1 . . . . 79 ILE HA . 15715 1 773 . 1 1 79 79 ILE HB H 1 1.77 0.02 . 1 . . . . 79 ILE HB . 15715 1 774 . 1 1 79 79 ILE HD11 H 1 1.29 0.02 . 1 . . . . 79 ILE HD1 . 15715 1 775 . 1 1 79 79 ILE HD12 H 1 1.29 0.02 . 1 . . . . 79 ILE HD1 . 15715 1 776 . 1 1 79 79 ILE HD13 H 1 1.29 0.02 . 1 . . . . 79 ILE HD1 . 15715 1 777 . 1 1 79 79 ILE HG12 H 1 0.71 0.02 . 2 . . . . 79 ILE HG12 . 15715 1 778 . 1 1 79 79 ILE HG13 H 1 0.65 0.02 . 2 . . . . 79 ILE HG13 . 15715 1 779 . 1 1 79 79 ILE HG21 H 1 0.36 0.02 . 1 . . . . 79 ILE HG2 . 15715 1 780 . 1 1 79 79 ILE HG22 H 1 0.36 0.02 . 1 . . . . 79 ILE HG2 . 15715 1 781 . 1 1 79 79 ILE HG23 H 1 0.36 0.02 . 1 . . . . 79 ILE HG2 . 15715 1 782 . 1 1 79 79 ILE C C 13 174.2 0.3 . 1 . . . . 79 ILE C . 15715 1 783 . 1 1 79 79 ILE CA C 13 57.7 0.3 . 1 . . . . 79 ILE CA . 15715 1 784 . 1 1 79 79 ILE CB C 13 42.6 0.3 . 1 . . . . 79 ILE CB . 15715 1 785 . 1 1 79 79 ILE CG1 C 13 15.6 0.3 . 1 . . . . 79 ILE CG1 . 15715 1 786 . 1 1 79 79 ILE CG2 C 13 20.8 0.3 . 1 . . . . 79 ILE CG2 . 15715 1 787 . 1 1 79 79 ILE N N 15 112.9 0.3 . 1 . . . . 79 ILE N . 15715 1 788 . 1 1 80 80 LEU H H 1 8.74 0.02 . 1 . . . . 80 LEU H . 15715 1 789 . 1 1 80 80 LEU HA H 1 4.53 0.02 . 1 . . . . 80 LEU HA . 15715 1 790 . 1 1 80 80 LEU HB2 H 1 1.31 0.02 . 2 . . . . 80 LEU HB2 . 15715 1 791 . 1 1 80 80 LEU HB3 H 1 1.27 0.02 . 2 . . . . 80 LEU HB3 . 15715 1 792 . 1 1 80 80 LEU HD11 H 1 0.84 0.02 . 1 . . . . 80 LEU HD1 . 15715 1 793 . 1 1 80 80 LEU HD12 H 1 0.84 0.02 . 1 . . . . 80 LEU HD1 . 15715 1 794 . 1 1 80 80 LEU HD13 H 1 0.84 0.02 . 1 . . . . 80 LEU HD1 . 15715 1 795 . 1 1 80 80 LEU HD21 H 1 0.78 0.02 . 1 . . . . 80 LEU HD2 . 15715 1 796 . 1 1 80 80 LEU HD22 H 1 0.78 0.02 . 1 . . . . 80 LEU HD2 . 15715 1 797 . 1 1 80 80 LEU HD23 H 1 0.78 0.02 . 1 . . . . 80 LEU HD2 . 15715 1 798 . 1 1 80 80 LEU HG H 1 1.17 0.02 . 1 . . . . 80 LEU HG . 15715 1 799 . 1 1 80 80 LEU C C 13 175.1 0.3 . 1 . . . . 80 LEU C . 15715 1 800 . 1 1 80 80 LEU CA C 13 53.4 0.3 . 1 . . . . 80 LEU CA . 15715 1 801 . 1 1 80 80 LEU CB C 13 45.7 0.3 . 1 . . . . 80 LEU CB . 15715 1 802 . 1 1 80 80 LEU CD1 C 13 23.8 0.3 . 1 . . . . 80 LEU CD1 . 15715 1 803 . 1 1 80 80 LEU CD2 C 13 21.8 0.3 . 1 . . . . 80 LEU CD2 . 15715 1 804 . 1 1 80 80 LEU CG C 13 26.6 0.3 . 1 . . . . 80 LEU CG . 15715 1 805 . 1 1 80 80 LEU N N 15 121.5 0.3 . 1 . . . . 80 LEU N . 15715 1 806 . 1 1 81 81 ARG H H 1 8.29 0.02 . 1 . . . . 81 ARG H . 15715 1 807 . 1 1 81 81 ARG HA H 1 5.32 0.02 . 1 . . . . 81 ARG HA . 15715 1 808 . 1 1 81 81 ARG HB2 H 1 1.63 0.02 . 2 . . . . 81 ARG HB2 . 15715 1 809 . 1 1 81 81 ARG HB3 H 1 1.58 0.02 . 2 . . . . 81 ARG HB3 . 15715 1 810 . 1 1 81 81 ARG HD2 H 1 2.94 0.02 . 2 . . . . 81 ARG HD2 . 15715 1 811 . 1 1 81 81 ARG HD3 H 1 2.90 0.02 . 2 . . . . 81 ARG HD3 . 15715 1 812 . 1 1 81 81 ARG HG2 H 1 1.43 0.02 . 2 . . . . 81 ARG HG2 . 15715 1 813 . 1 1 81 81 ARG HG3 H 1 1.36 0.02 . 2 . . . . 81 ARG HG3 . 15715 1 814 . 1 1 81 81 ARG C C 13 176.6 0.3 . 1 . . . . 81 ARG C . 15715 1 815 . 1 1 81 81 ARG CA C 13 54.2 0.3 . 1 . . . . 81 ARG CA . 15715 1 816 . 1 1 81 81 ARG CB C 13 31.8 0.3 . 1 . . . . 81 ARG CB . 15715 1 817 . 1 1 81 81 ARG CD C 13 43.6 0.3 . 1 . . . . 81 ARG CD . 15715 1 818 . 1 1 81 81 ARG CG C 13 24.3 0.3 . 1 . . . . 81 ARG CG . 15715 1 819 . 1 1 81 81 ARG N N 15 120.6 0.3 . 1 . . . . 81 ARG N . 15715 1 820 . 1 1 82 82 ARG H H 1 9.02 0.02 . 1 . . . . 82 ARG H . 15715 1 821 . 1 1 82 82 ARG HA H 1 4.60 0.02 . 1 . . . . 82 ARG HA . 15715 1 822 . 1 1 82 82 ARG HB2 H 1 1.71 0.02 . 2 . . . . 82 ARG HB2 . 15715 1 823 . 1 1 82 82 ARG HB3 H 1 1.59 0.02 . 2 . . . . 82 ARG HB3 . 15715 1 824 . 1 1 82 82 ARG HD2 H 1 2.94 0.02 . 1 . . . . 82 ARG HD2 . 15715 1 825 . 1 1 82 82 ARG HG2 H 1 1.41 0.02 . 1 . . . . 82 ARG HG2 . 15715 1 826 . 1 1 82 82 ARG C C 13 174.2 0.3 . 1 . . . . 82 ARG C . 15715 1 827 . 1 1 82 82 ARG CA C 13 54.5 0.3 . 1 . . . . 82 ARG CA . 15715 1 828 . 1 1 82 82 ARG CB C 13 34.2 0.3 . 1 . . . . 82 ARG CB . 15715 1 829 . 1 1 82 82 ARG CD C 13 42.9 0.3 . 1 . . . . 82 ARG CD . 15715 1 830 . 1 1 82 82 ARG CG C 13 23.6 0.3 . 1 . . . . 82 ARG CG . 15715 1 831 . 1 1 82 82 ARG N N 15 124.1 0.3 . 1 . . . . 82 ARG N . 15715 1 832 . 1 1 83 83 LEU H H 1 8.69 0.02 . 1 . . . . 83 LEU H . 15715 1 833 . 1 1 83 83 LEU HA H 1 4.47 0.02 . 1 . . . . 83 LEU HA . 15715 1 834 . 1 1 83 83 LEU HB2 H 1 1.67 0.02 . 2 . . . . 83 LEU HB2 . 15715 1 835 . 1 1 83 83 LEU HB3 H 1 1.48 0.02 . 2 . . . . 83 LEU HB3 . 15715 1 836 . 1 1 83 83 LEU HD11 H 1 0.86 0.02 . 1 . . . . 83 LEU HD1 . 15715 1 837 . 1 1 83 83 LEU HD12 H 1 0.86 0.02 . 1 . . . . 83 LEU HD1 . 15715 1 838 . 1 1 83 83 LEU HD13 H 1 0.86 0.02 . 1 . . . . 83 LEU HD1 . 15715 1 839 . 1 1 83 83 LEU HD21 H 1 0.75 0.02 . 1 . . . . 83 LEU HD2 . 15715 1 840 . 1 1 83 83 LEU HD22 H 1 0.75 0.02 . 1 . . . . 83 LEU HD2 . 15715 1 841 . 1 1 83 83 LEU HD23 H 1 0.75 0.02 . 1 . . . . 83 LEU HD2 . 15715 1 842 . 1 1 83 83 LEU HG H 1 1.58 0.02 . 1 . . . . 83 LEU HG . 15715 1 843 . 1 1 83 83 LEU C C 13 176.4 0.3 . 1 . . . . 83 LEU C . 15715 1 844 . 1 1 83 83 LEU CA C 13 56.8 0.3 . 1 . . . . 83 LEU CA . 15715 1 845 . 1 1 83 83 LEU CB C 13 42.1 0.3 . 1 . . . . 83 LEU CB . 15715 1 846 . 1 1 83 83 LEU CD1 C 13 24.7 0.3 . 1 . . . . 83 LEU CD1 . 15715 1 847 . 1 1 83 83 LEU CD2 C 13 24.7 0.3 . 1 . . . . 83 LEU CD2 . 15715 1 848 . 1 1 83 83 LEU CG C 13 26.8 0.3 . 1 . . . . 83 LEU CG . 15715 1 849 . 1 1 83 83 LEU N N 15 127.4 0.3 . 1 . . . . 83 LEU N . 15715 1 850 . 1 1 84 84 ASP H H 1 9.31 0.02 . 1 . . . . 84 ASP H . 15715 1 851 . 1 1 84 84 ASP HA H 1 5.07 0.02 . 1 . . . . 84 ASP HA . 15715 1 852 . 1 1 84 84 ASP HB2 H 1 2.92 0.02 . 2 . . . . 84 ASP HB2 . 15715 1 853 . 1 1 84 84 ASP HB3 H 1 2.80 0.02 . 2 . . . . 84 ASP HB3 . 15715 1 854 . 1 1 84 84 ASP C C 13 177.2 0.3 . 1 . . . . 84 ASP C . 15715 1 855 . 1 1 84 84 ASP CA C 13 52.7 0.3 . 1 . . . . 84 ASP CA . 15715 1 856 . 1 1 84 84 ASP CB C 13 43.4 0.3 . 1 . . . . 84 ASP CB . 15715 1 857 . 1 1 84 84 ASP N N 15 127.4 0.3 . 1 . . . . 84 ASP N . 15715 1 858 . 1 1 85 85 THR H H 1 9.02 0.02 . 1 . . . . 85 THR H . 15715 1 859 . 1 1 85 85 THR HA H 1 4.54 0.02 . 1 . . . . 85 THR HA . 15715 1 860 . 1 1 85 85 THR HB H 1 4.59 0.02 . 1 . . . . 85 THR HB . 15715 1 861 . 1 1 85 85 THR HG21 H 1 1.10 0.02 . 1 . . . . 85 THR HG2 . 15715 1 862 . 1 1 85 85 THR HG22 H 1 1.10 0.02 . 1 . . . . 85 THR HG2 . 15715 1 863 . 1 1 85 85 THR HG23 H 1 1.10 0.02 . 1 . . . . 85 THR HG2 . 15715 1 864 . 1 1 85 85 THR C C 13 176.1 0.3 . 1 . . . . 85 THR C . 15715 1 865 . 1 1 85 85 THR CA C 13 60.9 0.3 . 1 . . . . 85 THR CA . 15715 1 866 . 1 1 85 85 THR CB C 13 68.0 0.3 . 1 . . . . 85 THR CB . 15715 1 867 . 1 1 85 85 THR CG2 C 13 20.7 0.3 . 1 . . . . 85 THR CG2 . 15715 1 868 . 1 1 85 85 THR N N 15 118.4 0.3 . 1 . . . . 85 THR N . 15715 1 869 . 1 1 86 86 SER H H 1 8.55 0.02 . 1 . . . . 86 SER H . 15715 1 870 . 1 1 86 86 SER HA H 1 4.09 0.02 . 1 . . . . 86 SER HA . 15715 1 871 . 1 1 86 86 SER HB2 H 1 3.98 0.02 . 2 . . . . 86 SER HB2 . 15715 1 872 . 1 1 86 86 SER HB3 H 1 3.96 0.02 . 2 . . . . 86 SER HB3 . 15715 1 873 . 1 1 86 86 SER C C 13 175.5 0.3 . 1 . . . . 86 SER C . 15715 1 874 . 1 1 86 86 SER CA C 13 61.3 0.3 . 1 . . . . 86 SER CA . 15715 1 875 . 1 1 86 86 SER CB C 13 63.4 0.3 . 1 . . . . 86 SER CB . 15715 1 876 . 1 1 86 86 SER N N 15 120.7 0.3 . 1 . . . . 86 SER N . 15715 1 877 . 1 1 87 87 LEU H H 1 8.28 0.02 . 1 . . . . 87 LEU H . 15715 1 878 . 1 1 87 87 LEU HA H 1 4.49 0.02 . 1 . . . . 87 LEU HA . 15715 1 879 . 1 1 87 87 LEU HB2 H 1 1.65 0.02 . 2 . . . . 87 LEU HB2 . 15715 1 880 . 1 1 87 87 LEU HB3 H 1 1.60 0.02 . 2 . . . . 87 LEU HB3 . 15715 1 881 . 1 1 87 87 LEU HD11 H 1 0.80 0.02 . 1 . . . . 87 LEU HD1 . 15715 1 882 . 1 1 87 87 LEU HD12 H 1 0.80 0.02 . 1 . . . . 87 LEU HD1 . 15715 1 883 . 1 1 87 87 LEU HD13 H 1 0.80 0.02 . 1 . . . . 87 LEU HD1 . 15715 1 884 . 1 1 87 87 LEU HD21 H 1 0.75 0.02 . 1 . . . . 87 LEU HD2 . 15715 1 885 . 1 1 87 87 LEU HD22 H 1 0.75 0.02 . 1 . . . . 87 LEU HD2 . 15715 1 886 . 1 1 87 87 LEU HD23 H 1 0.75 0.02 . 1 . . . . 87 LEU HD2 . 15715 1 887 . 1 1 87 87 LEU HG H 1 1.58 0.02 . 1 . . . . 87 LEU HG . 15715 1 888 . 1 1 87 87 LEU C C 13 177.4 0.3 . 1 . . . . 87 LEU C . 15715 1 889 . 1 1 87 87 LEU CA C 13 54.3 0.3 . 1 . . . . 87 LEU CA . 15715 1 890 . 1 1 87 87 LEU CB C 13 42.0 0.3 . 1 . . . . 87 LEU CB . 15715 1 891 . 1 1 87 87 LEU CD1 C 13 22.9 0.3 . 1 . . . . 87 LEU CD1 . 15715 1 892 . 1 1 87 87 LEU CD2 C 13 25.0 0.3 . 1 . . . . 87 LEU CD2 . 15715 1 893 . 1 1 87 87 LEU CG C 13 26.7 0.3 . 1 . . . . 87 LEU CG . 15715 1 894 . 1 1 87 87 LEU N N 15 121.7 0.3 . 1 . . . . 87 LEU N . 15715 1 895 . 1 1 88 88 GLY H H 1 8.14 0.02 . 1 . . . . 88 GLY H . 15715 1 896 . 1 1 88 88 GLY HA2 H 1 4.16 0.02 . 2 . . . . 88 GLY HA2 . 15715 1 897 . 1 1 88 88 GLY HA3 H 1 3.62 0.02 . 2 . . . . 88 GLY HA3 . 15715 1 898 . 1 1 88 88 GLY C C 13 173.5 0.3 . 1 . . . . 88 GLY C . 15715 1 899 . 1 1 88 88 GLY CA C 13 45.5 0.3 . 1 . . . . 88 GLY CA . 15715 1 900 . 1 1 88 88 GLY N N 15 109.0 0.3 . 1 . . . . 88 GLY N . 15715 1 901 . 1 1 89 89 CYS H H 1 7.42 0.02 . 1 . . . . 89 CYS H . 15715 1 902 . 1 1 89 89 CYS HA H 1 4.84 0.02 . 1 . . . . 89 CYS HA . 15715 1 903 . 1 1 89 89 CYS HB2 H 1 2.88 0.02 . 2 . . . . 89 CYS HB2 . 15715 1 904 . 1 1 89 89 CYS HB3 H 1 2.84 0.02 . 2 . . . . 89 CYS HB3 . 15715 1 905 . 1 1 89 89 CYS C C 13 172.0 0.3 . 1 . . . . 89 CYS C . 15715 1 906 . 1 1 89 89 CYS CA C 13 54.5 0.3 . 1 . . . . 89 CYS CA . 15715 1 907 . 1 1 89 89 CYS CB C 13 27.7 0.3 . 1 . . . . 89 CYS CB . 15715 1 908 . 1 1 89 89 CYS N N 15 118.8 0.3 . 1 . . . . 89 CYS N . 15715 1 909 . 1 1 90 90 PRO HA H 1 4.49 0.02 . 1 . . . . 90 PRO HA . 15715 1 910 . 1 1 90 90 PRO HB2 H 1 2.10 0.02 . 2 . . . . 90 PRO HB2 . 15715 1 911 . 1 1 90 90 PRO HB3 H 1 1.87 0.02 . 2 . . . . 90 PRO HB3 . 15715 1 912 . 1 1 90 90 PRO HD2 H 1 3.86 0.02 . 1 . . . . 90 PRO HD2 . 15715 1 913 . 1 1 90 90 PRO HG2 H 1 2.25 0.02 . 2 . . . . 90 PRO HG2 . 15715 1 914 . 1 1 90 90 PRO HG3 H 1 1.95 0.02 . 2 . . . . 90 PRO HG3 . 15715 1 915 . 1 1 90 90 PRO C C 13 176.1 0.3 . 1 . . . . 90 PRO C . 15715 1 916 . 1 1 90 90 PRO CA C 13 63.5 0.3 . 1 . . . . 90 PRO CA . 15715 1 917 . 1 1 90 90 PRO CB C 13 31.7 0.3 . 1 . . . . 90 PRO CB . 15715 1 918 . 1 1 90 90 PRO CD C 13 50.2 0.3 . 1 . . . . 90 PRO CD . 15715 1 919 . 1 1 90 90 PRO CG C 13 28.9 0.3 . 1 . . . . 90 PRO CG . 15715 1 920 . 1 1 91 91 ARG H H 1 8.49 0.02 . 1 . . . . 91 ARG H . 15715 1 921 . 1 1 91 91 ARG HA H 1 4.59 0.02 . 1 . . . . 91 ARG HA . 15715 1 922 . 1 1 91 91 ARG HB2 H 1 1.77 0.02 . 2 . . . . 91 ARG HB2 . 15715 1 923 . 1 1 91 91 ARG HB3 H 1 1.67 0.02 . 2 . . . . 91 ARG HB3 . 15715 1 924 . 1 1 91 91 ARG HD2 H 1 3.05 0.02 . 2 . . . . 91 ARG HD2 . 15715 1 925 . 1 1 91 91 ARG HD3 H 1 2.99 0.02 . 2 . . . . 91 ARG HD3 . 15715 1 926 . 1 1 91 91 ARG HG2 H 1 1.41 0.02 . 2 . . . . 91 ARG HG2 . 15715 1 927 . 1 1 91 91 ARG HG3 H 1 1.38 0.02 . 2 . . . . 91 ARG HG3 . 15715 1 928 . 1 1 91 91 ARG C C 13 173.8 0.3 . 1 . . . . 91 ARG C . 15715 1 929 . 1 1 91 91 ARG CA C 13 54.3 0.3 . 1 . . . . 91 ARG CA . 15715 1 930 . 1 1 91 91 ARG CB C 13 35.2 0.3 . 1 . . . . 91 ARG CB . 15715 1 931 . 1 1 91 91 ARG CD C 13 43.7 0.3 . 1 . . . . 91 ARG CD . 15715 1 932 . 1 1 91 91 ARG CG C 13 23.9 0.3 . 1 . . . . 91 ARG CG . 15715 1 933 . 1 1 91 91 ARG N N 15 122.5 0.3 . 1 . . . . 91 ARG N . 15715 1 934 . 1 1 92 92 MET H H 1 9.20 0.02 . 1 . . . . 92 MET H . 15715 1 935 . 1 1 92 92 MET HA H 1 5.09 0.02 . 1 . . . . 92 MET HA . 15715 1 936 . 1 1 92 92 MET HB2 H 1 1.93 0.02 . 2 . . . . 92 MET HB2 . 15715 1 937 . 1 1 92 92 MET HB3 H 1 1.89 0.02 . 2 . . . . 92 MET HB3 . 15715 1 938 . 1 1 92 92 MET HG2 H 1 2.44 0.02 . 2 . . . . 92 MET HG2 . 15715 1 939 . 1 1 92 92 MET HG3 H 1 2.25 0.02 . 2 . . . . 92 MET HG3 . 15715 1 940 . 1 1 92 92 MET C C 13 174.7 0.3 . 1 . . . . 92 MET C . 15715 1 941 . 1 1 92 92 MET CA C 13 53.3 0.3 . 1 . . . . 92 MET CA . 15715 1 942 . 1 1 92 92 MET CB C 13 30.7 0.3 . 1 . . . . 92 MET CB . 15715 1 943 . 1 1 92 92 MET CG C 13 30.9 0.3 . 1 . . . . 92 MET CG . 15715 1 944 . 1 1 92 92 MET N N 15 122.9 0.3 . 1 . . . . 92 MET N . 15715 1 945 . 1 1 93 93 GLU H H 1 9.29 0.02 . 1 . . . . 93 GLU H . 15715 1 946 . 1 1 93 93 GLU HA H 1 4.14 0.02 . 1 . . . . 93 GLU HA . 15715 1 947 . 1 1 93 93 GLU HB2 H 1 1.86 0.02 . 2 . . . . 93 GLU HB2 . 15715 1 948 . 1 1 93 93 GLU HB3 H 1 1.83 0.02 . 2 . . . . 93 GLU HB3 . 15715 1 949 . 1 1 93 93 GLU HG2 H 1 2.09 0.02 . 2 . . . . 93 GLU HG2 . 15715 1 950 . 1 1 93 93 GLU HG3 H 1 2.16 0.02 . 2 . . . . 93 GLU HG3 . 15715 1 951 . 1 1 93 93 GLU C C 13 174.4 0.3 . 1 . . . . 93 GLU C . 15715 1 952 . 1 1 93 93 GLU CA C 13 56.3 0.3 . 1 . . . . 93 GLU CA . 15715 1 953 . 1 1 93 93 GLU CB C 13 30.4 0.3 . 1 . . . . 93 GLU CB . 15715 1 954 . 1 1 93 93 GLU CG C 13 36.1 0.3 . 1 . . . . 93 GLU CG . 15715 1 955 . 1 1 93 93 GLU N N 15 129.9 0.3 . 1 . . . . 93 GLU N . 15715 1 956 . 1 1 94 94 VAL H H 1 8.08 0.02 . 1 . . . . 94 VAL H . 15715 1 957 . 1 1 94 94 VAL HA H 1 4.76 0.02 . 1 . . . . 94 VAL HA . 15715 1 958 . 1 1 94 94 VAL HB H 1 1.30 0.02 . 1 . . . . 94 VAL HB . 15715 1 959 . 1 1 94 94 VAL HG11 H 1 0.93 0.02 . 1 . . . . 94 VAL HG1 . 15715 1 960 . 1 1 94 94 VAL HG12 H 1 0.93 0.02 . 1 . . . . 94 VAL HG1 . 15715 1 961 . 1 1 94 94 VAL HG13 H 1 0.93 0.02 . 1 . . . . 94 VAL HG1 . 15715 1 962 . 1 1 94 94 VAL HG21 H 1 0.75 0.02 . 1 . . . . 94 VAL HG2 . 15715 1 963 . 1 1 94 94 VAL HG22 H 1 0.75 0.02 . 1 . . . . 94 VAL HG2 . 15715 1 964 . 1 1 94 94 VAL HG23 H 1 0.75 0.02 . 1 . . . . 94 VAL HG2 . 15715 1 965 . 1 1 94 94 VAL C C 13 174.4 0.3 . 1 . . . . 94 VAL C . 15715 1 966 . 1 1 94 94 VAL CA C 13 60.8 0.3 . 1 . . . . 94 VAL CA . 15715 1 967 . 1 1 94 94 VAL CB C 13 33.3 0.3 . 1 . . . . 94 VAL CB . 15715 1 968 . 1 1 94 94 VAL CG1 C 13 22.6 0.3 . 1 . . . . 94 VAL CG1 . 15715 1 969 . 1 1 94 94 VAL CG2 C 13 21.9 0.3 . 1 . . . . 94 VAL CG2 . 15715 1 970 . 1 1 94 94 VAL N N 15 125.3 0.3 . 1 . . . . 94 VAL N . 15715 1 971 . 1 1 95 95 VAL H H 1 8.60 0.02 . 1 . . . . 95 VAL H . 15715 1 972 . 1 1 95 95 VAL HA H 1 5.03 0.02 . 1 . . . . 95 VAL HA . 15715 1 973 . 1 1 95 95 VAL HB H 1 1.60 0.02 . 1 . . . . 95 VAL HB . 15715 1 974 . 1 1 95 95 VAL HG11 H 1 0.61 0.02 . 1 . . . . 95 VAL HG1 . 15715 1 975 . 1 1 95 95 VAL HG12 H 1 0.61 0.02 . 1 . . . . 95 VAL HG1 . 15715 1 976 . 1 1 95 95 VAL HG13 H 1 0.61 0.02 . 1 . . . . 95 VAL HG1 . 15715 1 977 . 1 1 95 95 VAL HG21 H 1 0.50 0.02 . 1 . . . . 95 VAL HG2 . 15715 1 978 . 1 1 95 95 VAL HG22 H 1 0.50 0.02 . 1 . . . . 95 VAL HG2 . 15715 1 979 . 1 1 95 95 VAL HG23 H 1 0.50 0.02 . 1 . . . . 95 VAL HG2 . 15715 1 980 . 1 1 95 95 VAL C C 13 174.7 0.3 . 1 . . . . 95 VAL C . 15715 1 981 . 1 1 95 95 VAL CA C 13 58.1 0.3 . 1 . . . . 95 VAL CA . 15715 1 982 . 1 1 95 95 VAL CB C 13 35.5 0.3 . 1 . . . . 95 VAL CB . 15715 1 983 . 1 1 95 95 VAL CG1 C 13 20.9 0.3 . 1 . . . . 95 VAL CG1 . 15715 1 984 . 1 1 95 95 VAL CG2 C 13 18.6 0.3 . 1 . . . . 95 VAL CG2 . 15715 1 985 . 1 1 95 95 VAL N N 15 123.3 0.3 . 1 . . . . 95 VAL N . 15715 1 986 . 1 1 96 96 CYS H H 1 8.69 0.02 . 1 . . . . 96 CYS H . 15715 1 987 . 1 1 96 96 CYS HA H 1 4.24 0.02 . 1 . . . . 96 CYS HA . 15715 1 988 . 1 1 96 96 CYS HB2 H 1 3.11 0.02 . 2 . . . . 96 CYS HB2 . 15715 1 989 . 1 1 96 96 CYS HB3 H 1 3.02 0.02 . 2 . . . . 96 CYS HB3 . 15715 1 990 . 1 1 96 96 CYS C C 13 176.9 0.3 . 1 . . . . 96 CYS C . 15715 1 991 . 1 1 96 96 CYS CA C 13 59.4 0.3 . 1 . . . . 96 CYS CA . 15715 1 992 . 1 1 96 96 CYS CB C 13 31.6 0.3 . 1 . . . . 96 CYS CB . 15715 1 993 . 1 1 96 96 CYS N N 15 125.7 0.3 . 1 . . . . 96 CYS N . 15715 1 994 . 1 1 97 97 LYS H H 1 8.65 0.02 . 1 . . . . 97 LYS H . 15715 1 995 . 1 1 97 97 LYS HA H 1 3.68 0.02 . 1 . . . . 97 LYS HA . 15715 1 996 . 1 1 97 97 LYS HB2 H 1 1.45 0.02 . 2 . . . . 97 LYS HB2 . 15715 1 997 . 1 1 97 97 LYS HB3 H 1 1.27 0.02 . 2 . . . . 97 LYS HB3 . 15715 1 998 . 1 1 97 97 LYS HD2 H 1 1.59 0.02 . 2 . . . . 97 LYS HD2 . 15715 1 999 . 1 1 97 97 LYS HD3 H 1 1.47 0.02 . 2 . . . . 97 LYS HD3 . 15715 1 1000 . 1 1 97 97 LYS HE2 H 1 2.88 0.02 . 1 . . . . 97 LYS HE2 . 15715 1 1001 . 1 1 97 97 LYS HG2 H 1 1.17 0.02 . 1 . . . . 97 LYS HG2 . 15715 1 1002 . 1 1 97 97 LYS C C 13 175.9 0.3 . 1 . . . . 97 LYS C . 15715 1 1003 . 1 1 97 97 LYS CA C 13 58.8 0.3 . 1 . . . . 97 LYS CA . 15715 1 1004 . 1 1 97 97 LYS CB C 13 33.5 0.3 . 1 . . . . 97 LYS CB . 15715 1 1005 . 1 1 97 97 LYS CD C 13 29.9 0.3 . 1 . . . . 97 LYS CD . 15715 1 1006 . 1 1 97 97 LYS CE C 13 43.4 0.3 . 1 . . . . 97 LYS CE . 15715 1 1007 . 1 1 97 97 LYS CG C 13 25.0 0.3 . 1 . . . . 97 LYS CG . 15715 1 1008 . 1 1 97 97 LYS N N 15 131.5 0.3 . 1 . . . . 97 LYS N . 15715 1 1009 . 1 1 98 98 GLN H H 1 8.45 0.02 . 1 . . . . 98 GLN H . 15715 1 1010 . 1 1 98 98 GLN HA H 1 4.14 0.02 . 1 . . . . 98 GLN HA . 15715 1 1011 . 1 1 98 98 GLN HB2 H 1 2.13 0.02 . 2 . . . . 98 GLN HB2 . 15715 1 1012 . 1 1 98 98 GLN HB3 H 1 2.24 0.02 . 2 . . . . 98 GLN HB3 . 15715 1 1013 . 1 1 98 98 GLN HE21 H 1 7.53 0.02 . 1 . . . . 98 GLN HE21 . 15715 1 1014 . 1 1 98 98 GLN HE22 H 1 6.85 0.02 . 1 . . . . 98 GLN HE22 . 15715 1 1015 . 1 1 98 98 GLN HG2 H 1 2.46 0.02 . 1 . . . . 98 GLN HG2 . 15715 1 1016 . 1 1 98 98 GLN C C 13 177.6 0.3 . 1 . . . . 98 GLN C . 15715 1 1017 . 1 1 98 98 GLN CA C 13 58.4 0.3 . 1 . . . . 98 GLN CA . 15715 1 1018 . 1 1 98 98 GLN CB C 13 29.2 0.3 . 1 . . . . 98 GLN CB . 15715 1 1019 . 1 1 98 98 GLN CG C 13 35.7 0.3 . 1 . . . . 98 GLN CG . 15715 1 1020 . 1 1 98 98 GLN N N 15 119.9 0.3 . 1 . . . . 98 GLN N . 15715 1 1021 . 1 1 98 98 GLN NE2 N 15 112.2 0.3 . 1 . . . . 98 GLN NE2 . 15715 1 1022 . 1 1 99 99 CYS H H 1 8.35 0.02 . 1 . . . . 99 CYS H . 15715 1 1023 . 1 1 99 99 CYS HA H 1 5.17 0.02 . 1 . . . . 99 CYS HA . 15715 1 1024 . 1 1 99 99 CYS HB2 H 1 3.41 0.02 . 2 . . . . 99 CYS HB2 . 15715 1 1025 . 1 1 99 99 CYS HB3 H 1 2.50 0.02 . 2 . . . . 99 CYS HB3 . 15715 1 1026 . 1 1 99 99 CYS C C 13 177.1 0.3 . 1 . . . . 99 CYS C . 15715 1 1027 . 1 1 99 99 CYS CA C 13 58.8 0.3 . 1 . . . . 99 CYS CA . 15715 1 1028 . 1 1 99 99 CYS CB C 13 33.1 0.3 . 1 . . . . 99 CYS CB . 15715 1 1029 . 1 1 99 99 CYS N N 15 118.0 0.3 . 1 . . . . 99 CYS N . 15715 1 1030 . 1 1 100 100 GLU H H 1 8.25 0.02 . 1 . . . . 100 GLU H . 15715 1 1031 . 1 1 100 100 GLU HA H 1 3.84 0.02 . 1 . . . . 100 GLU HA . 15715 1 1032 . 1 1 100 100 GLU HB2 H 1 2.31 0.02 . 2 . . . . 100 GLU HB2 . 15715 1 1033 . 1 1 100 100 GLU HB3 H 1 2.22 0.02 . 2 . . . . 100 GLU HB3 . 15715 1 1034 . 1 1 100 100 GLU HG2 H 1 2.13 0.02 . 2 . . . . 100 GLU HG2 . 15715 1 1035 . 1 1 100 100 GLU HG3 H 1 2.05 0.02 . 2 . . . . 100 GLU HG3 . 15715 1 1036 . 1 1 100 100 GLU C C 13 174.5 0.3 . 1 . . . . 100 GLU C . 15715 1 1037 . 1 1 100 100 GLU CA C 13 58.6 0.3 . 1 . . . . 100 GLU CA . 15715 1 1038 . 1 1 100 100 GLU CB C 13 27.3 0.3 . 1 . . . . 100 GLU CB . 15715 1 1039 . 1 1 100 100 GLU CG C 13 37.5 0.3 . 1 . . . . 100 GLU CG . 15715 1 1040 . 1 1 100 100 GLU N N 15 121.7 0.3 . 1 . . . . 100 GLU N . 15715 1 1041 . 1 1 101 101 ALA H H 1 8.55 0.02 . 1 . . . . 101 ALA H . 15715 1 1042 . 1 1 101 101 ALA HA H 1 3.78 0.02 . 1 . . . . 101 ALA HA . 15715 1 1043 . 1 1 101 101 ALA HB1 H 1 1.17 0.02 . 1 . . . . 101 ALA HB . 15715 1 1044 . 1 1 101 101 ALA HB2 H 1 1.17 0.02 . 1 . . . . 101 ALA HB . 15715 1 1045 . 1 1 101 101 ALA HB3 H 1 1.17 0.02 . 1 . . . . 101 ALA HB . 15715 1 1046 . 1 1 101 101 ALA C C 13 177.3 0.3 . 1 . . . . 101 ALA C . 15715 1 1047 . 1 1 101 101 ALA CA C 13 53.3 0.3 . 1 . . . . 101 ALA CA . 15715 1 1048 . 1 1 101 101 ALA CB C 13 20.4 0.3 . 1 . . . . 101 ALA CB . 15715 1 1049 . 1 1 101 101 ALA N N 15 124.0 0.3 . 1 . . . . 101 ALA N . 15715 1 1050 . 1 1 102 102 HIS H H 1 9.50 0.02 . 1 . . . . 102 HIS H . 15715 1 1051 . 1 1 102 102 HIS HA H 1 4.18 0.02 . 1 . . . . 102 HIS HA . 15715 1 1052 . 1 1 102 102 HIS HB2 H 1 2.95 0.02 . 2 . . . . 102 HIS HB2 . 15715 1 1053 . 1 1 102 102 HIS HB3 H 1 2.90 0.02 . 2 . . . . 102 HIS HB3 . 15715 1 1054 . 1 1 102 102 HIS C C 13 172.4 0.3 . 1 . . . . 102 HIS C . 15715 1 1055 . 1 1 102 102 HIS CA C 13 58.4 0.3 . 1 . . . . 102 HIS CA . 15715 1 1056 . 1 1 102 102 HIS CB C 13 27.7 0.3 . 1 . . . . 102 HIS CB . 15715 1 1057 . 1 1 102 102 HIS N N 15 121.7 0.3 . 1 . . . . 102 HIS N . 15715 1 1058 . 1 1 103 103 LEU H H 1 7.66 0.02 . 1 . . . . 103 LEU H . 15715 1 1059 . 1 1 103 103 LEU HA H 1 4.36 0.02 . 1 . . . . 103 LEU HA . 15715 1 1060 . 1 1 103 103 LEU HB2 H 1 1.66 0.02 . 2 . . . . 103 LEU HB2 . 15715 1 1061 . 1 1 103 103 LEU HB3 H 1 1.57 0.02 . 2 . . . . 103 LEU HB3 . 15715 1 1062 . 1 1 103 103 LEU HD11 H 1 0.71 0.02 . 1 . . . . 103 LEU HD1 . 15715 1 1063 . 1 1 103 103 LEU HD12 H 1 0.71 0.02 . 1 . . . . 103 LEU HD1 . 15715 1 1064 . 1 1 103 103 LEU HD13 H 1 0.71 0.02 . 1 . . . . 103 LEU HD1 . 15715 1 1065 . 1 1 103 103 LEU HD21 H 1 0.62 0.02 . 1 . . . . 103 LEU HD2 . 15715 1 1066 . 1 1 103 103 LEU HD22 H 1 0.62 0.02 . 1 . . . . 103 LEU HD2 . 15715 1 1067 . 1 1 103 103 LEU HD23 H 1 0.62 0.02 . 1 . . . . 103 LEU HD2 . 15715 1 1068 . 1 1 103 103 LEU HG H 1 1.71 0.02 . 1 . . . . 103 LEU HG . 15715 1 1069 . 1 1 103 103 LEU C C 13 178.3 0.3 . 1 . . . . 103 LEU C . 15715 1 1070 . 1 1 103 103 LEU CA C 13 54.2 0.3 . 1 . . . . 103 LEU CA . 15715 1 1071 . 1 1 103 103 LEU CB C 13 43.4 0.3 . 1 . . . . 103 LEU CB . 15715 1 1072 . 1 1 103 103 LEU CD1 C 13 23.4 0.3 . 1 . . . . 103 LEU CD1 . 15715 1 1073 . 1 1 103 103 LEU CD2 C 13 28.5 0.3 . 1 . . . . 103 LEU CD2 . 15715 1 1074 . 1 1 103 103 LEU CG C 13 27.3 0.3 . 1 . . . . 103 LEU CG . 15715 1 1075 . 1 1 103 103 LEU N N 15 121.9 0.3 . 1 . . . . 103 LEU N . 15715 1 1076 . 1 1 104 104 GLY H H 1 6.52 0.02 . 1 . . . . 104 GLY H . 15715 1 1077 . 1 1 104 104 GLY HA2 H 1 4.83 0.02 . 2 . . . . 104 GLY HA2 . 15715 1 1078 . 1 1 104 104 GLY HA3 H 1 3.04 0.02 . 2 . . . . 104 GLY HA3 . 15715 1 1079 . 1 1 104 104 GLY C C 13 171.0 0.3 . 1 . . . . 104 GLY C . 15715 1 1080 . 1 1 104 104 GLY CA C 13 45.5 0.3 . 1 . . . . 104 GLY CA . 15715 1 1081 . 1 1 104 104 GLY N N 15 104.8 0.3 . 1 . . . . 104 GLY N . 15715 1 1082 . 1 1 105 105 HIS H H 1 8.69 0.02 . 1 . . . . 105 HIS H . 15715 1 1083 . 1 1 105 105 HIS HA H 1 5.27 0.02 . 1 . . . . 105 HIS HA . 15715 1 1084 . 1 1 105 105 HIS HB2 H 1 2.48 0.02 . 2 . . . . 105 HIS HB2 . 15715 1 1085 . 1 1 105 105 HIS HB3 H 1 2.26 0.02 . 2 . . . . 105 HIS HB3 . 15715 1 1086 . 1 1 105 105 HIS C C 13 172.1 0.3 . 1 . . . . 105 HIS C . 15715 1 1087 . 1 1 105 105 HIS CA C 13 56.7 0.3 . 1 . . . . 105 HIS CA . 15715 1 1088 . 1 1 105 105 HIS CB C 13 36.4 0.3 . 1 . . . . 105 HIS CB . 15715 1 1089 . 1 1 105 105 HIS N N 15 122.8 0.3 . 1 . . . . 105 HIS N . 15715 1 1090 . 1 1 106 106 VAL H H 1 8.42 0.02 . 1 . . . . 106 VAL H . 15715 1 1091 . 1 1 106 106 VAL HA H 1 5.26 0.02 . 1 . . . . 106 VAL HA . 15715 1 1092 . 1 1 106 106 VAL HB H 1 1.08 0.02 . 1 . . . . 106 VAL HB . 15715 1 1093 . 1 1 106 106 VAL HG11 H 1 0.40 0.02 . 1 . . . . 106 VAL HG1 . 15715 1 1094 . 1 1 106 106 VAL HG12 H 1 0.40 0.02 . 1 . . . . 106 VAL HG1 . 15715 1 1095 . 1 1 106 106 VAL HG13 H 1 0.40 0.02 . 1 . . . . 106 VAL HG1 . 15715 1 1096 . 1 1 106 106 VAL HG21 H 1 -0.18 0.02 . 1 . . . . 106 VAL HG2 . 15715 1 1097 . 1 1 106 106 VAL HG22 H 1 -0.18 0.02 . 1 . . . . 106 VAL HG2 . 15715 1 1098 . 1 1 106 106 VAL HG23 H 1 -0.18 0.02 . 1 . . . . 106 VAL HG2 . 15715 1 1099 . 1 1 106 106 VAL C C 13 172.9 0.3 . 1 . . . . 106 VAL C . 15715 1 1100 . 1 1 106 106 VAL CA C 13 57.7 0.3 . 1 . . . . 106 VAL CA . 15715 1 1101 . 1 1 106 106 VAL CB C 13 34.3 0.3 . 1 . . . . 106 VAL CB . 15715 1 1102 . 1 1 106 106 VAL CG1 C 13 18.5 0.3 . 1 . . . . 106 VAL CG1 . 15715 1 1103 . 1 1 106 106 VAL CG2 C 13 19.6 0.3 . 1 . . . . 106 VAL CG2 . 15715 1 1104 . 1 1 106 106 VAL N N 15 119.1 0.3 . 1 . . . . 106 VAL N . 15715 1 1105 . 1 1 107 107 PHE H H 1 8.90 0.02 . 1 . . . . 107 PHE H . 15715 1 1106 . 1 1 107 107 PHE HA H 1 4.94 0.02 . 1 . . . . 107 PHE HA . 15715 1 1107 . 1 1 107 107 PHE HB2 H 1 3.15 0.02 . 2 . . . . 107 PHE HB2 . 15715 1 1108 . 1 1 107 107 PHE HB3 H 1 2.82 0.02 . 2 . . . . 107 PHE HB3 . 15715 1 1109 . 1 1 107 107 PHE HD1 H 1 7.11 0.02 . 1 . . . . 107 PHE HD1 . 15715 1 1110 . 1 1 107 107 PHE C C 13 175.0 0.3 . 1 . . . . 107 PHE C . 15715 1 1111 . 1 1 107 107 PHE CA C 13 54.8 0.3 . 1 . . . . 107 PHE CA . 15715 1 1112 . 1 1 107 107 PHE CB C 13 42.6 0.3 . 1 . . . . 107 PHE CB . 15715 1 1113 . 1 1 107 107 PHE N N 15 128.1 0.3 . 1 . . . . 107 PHE N . 15715 1 1114 . 1 1 108 108 PRO HA H 1 5.10 0.02 . 1 . . . . 108 PRO HA . 15715 1 1115 . 1 1 108 108 PRO HB2 H 1 2.53 0.02 . 2 . . . . 108 PRO HB2 . 15715 1 1116 . 1 1 108 108 PRO HB3 H 1 1.89 0.02 . 2 . . . . 108 PRO HB3 . 15715 1 1117 . 1 1 108 108 PRO HD2 H 1 4.59 0.02 . 1 . . . . 108 PRO HD2 . 15715 1 1118 . 1 1 108 108 PRO HG2 H 1 2.08 0.02 . 1 . . . . 108 PRO HG2 . 15715 1 1119 . 1 1 108 108 PRO C C 13 175.7 0.3 . 1 . . . . 108 PRO C . 15715 1 1120 . 1 1 108 108 PRO CA C 13 63.5 0.3 . 1 . . . . 108 PRO CA . 15715 1 1121 . 1 1 108 108 PRO CB C 13 28.9 0.3 . 1 . . . . 108 PRO CB . 15715 1 1122 . 1 1 109 109 ASP H H 1 7.73 0.02 . 1 . . . . 109 ASP H . 15715 1 1123 . 1 1 109 109 ASP HA H 1 4.93 0.02 . 1 . . . . 109 ASP HA . 15715 1 1124 . 1 1 109 109 ASP HB2 H 1 2.95 0.02 . 2 . . . . 109 ASP HB2 . 15715 1 1125 . 1 1 109 109 ASP HB3 H 1 2.54 0.02 . 2 . . . . 109 ASP HB3 . 15715 1 1126 . 1 1 109 109 ASP C C 13 177.4 0.3 . 1 . . . . 109 ASP C . 15715 1 1127 . 1 1 109 109 ASP CA C 13 52.0 0.3 . 1 . . . . 109 ASP CA . 15715 1 1128 . 1 1 109 109 ASP CB C 13 38.8 0.3 . 1 . . . . 109 ASP CB . 15715 1 1129 . 1 1 109 109 ASP N N 15 122.4 0.3 . 1 . . . . 109 ASP N . 15715 1 1130 . 1 1 110 110 GLY H H 1 7.43 0.02 . 1 . . . . 110 GLY H . 15715 1 1131 . 1 1 110 110 GLY HA2 H 1 4.20 0.02 . 2 . . . . 110 GLY HA2 . 15715 1 1132 . 1 1 110 110 GLY HA3 H 1 3.35 0.02 . 2 . . . . 110 GLY HA3 . 15715 1 1133 . 1 1 110 110 GLY C C 13 170.7 0.3 . 1 . . . . 110 GLY C . 15715 1 1134 . 1 1 110 110 GLY CA C 13 44.3 0.3 . 1 . . . . 110 GLY CA . 15715 1 1135 . 1 1 110 110 GLY N N 15 107.1 0.3 . 1 . . . . 110 GLY N . 15715 1 1136 . 1 1 111 111 PRO HA H 1 4.40 0.02 . 1 . . . . 111 PRO HA . 15715 1 1137 . 1 1 111 111 PRO HB2 H 1 2.24 0.02 . 2 . . . . 111 PRO HB2 . 15715 1 1138 . 1 1 111 111 PRO HB3 H 1 1.87 0.02 . 2 . . . . 111 PRO HB3 . 15715 1 1139 . 1 1 111 111 PRO HD2 H 1 3.76 0.02 . 2 . . . . 111 PRO HD2 . 15715 1 1140 . 1 1 111 111 PRO HD3 H 1 3.59 0.02 . 2 . . . . 111 PRO HD3 . 15715 1 1141 . 1 1 111 111 PRO HG2 H 1 1.98 0.02 . 1 . . . . 111 PRO HG2 . 15715 1 1142 . 1 1 111 111 PRO CA C 13 62.0 0.3 . 1 . . . . 111 PRO CA . 15715 1 1143 . 1 1 111 111 PRO CB C 13 32.1 0.3 . 1 . . . . 111 PRO CB . 15715 1 1144 . 1 1 111 111 PRO CD C 13 50.6 0.3 . 1 . . . . 111 PRO CD . 15715 1 1145 . 1 1 111 111 PRO CG C 13 27.2 0.3 . 1 . . . . 111 PRO CG . 15715 1 1146 . 1 1 112 112 LYS H H 1 8.55 0.02 . 1 . . . . 112 LYS H . 15715 1 1147 . 1 1 112 112 LYS HA H 1 3.90 0.02 . 1 . . . . 112 LYS HA . 15715 1 1148 . 1 1 112 112 LYS HB2 H 1 1.60 0.02 . 2 . . . . 112 LYS HB2 . 15715 1 1149 . 1 1 112 112 LYS HB3 H 1 1.58 0.02 . 2 . . . . 112 LYS HB3 . 15715 1 1150 . 1 1 112 112 LYS HD2 H 1 1.66 0.02 . 1 . . . . 112 LYS HD2 . 15715 1 1151 . 1 1 112 112 LYS HE2 H 1 2.96 0.02 . 1 . . . . 112 LYS HE2 . 15715 1 1152 . 1 1 112 112 LYS HG2 H 1 1.45 0.02 . 1 . . . . 112 LYS HG2 . 15715 1 1153 . 1 1 112 112 LYS C C 13 175.7 0.3 . 1 . . . . 112 LYS C . 15715 1 1154 . 1 1 112 112 LYS CA C 13 55.7 0.3 . 1 . . . . 112 LYS CA . 15715 1 1155 . 1 1 112 112 LYS CB C 13 30.9 0.3 . 1 . . . . 112 LYS CB . 15715 1 1156 . 1 1 112 112 LYS CD C 13 27.0 0.3 . 1 . . . . 112 LYS CD . 15715 1 1157 . 1 1 112 112 LYS CE C 13 42.1 0.3 . 1 . . . . 112 LYS CE . 15715 1 1158 . 1 1 112 112 LYS CG C 13 26.1 0.3 . 1 . . . . 112 LYS CG . 15715 1 1159 . 1 1 112 112 LYS N N 15 122.6 0.3 . 1 . . . . 112 LYS N . 15715 1 1160 . 1 1 113 113 PRO HA H 1 4.50 0.02 . 1 . . . . 113 PRO HA . 15715 1 1161 . 1 1 113 113 PRO HB2 H 1 2.39 0.02 . 2 . . . . 113 PRO HB2 . 15715 1 1162 . 1 1 113 113 PRO HB3 H 1 2.23 0.02 . 2 . . . . 113 PRO HB3 . 15715 1 1163 . 1 1 113 113 PRO HD2 H 1 3.72 0.02 . 1 . . . . 113 PRO HD2 . 15715 1 1164 . 1 1 113 113 PRO HG2 H 1 2.10 0.02 . 1 . . . . 113 PRO HG2 . 15715 1 1165 . 1 1 113 113 PRO C C 13 178.1 0.3 . 1 . . . . 113 PRO C . 15715 1 1166 . 1 1 113 113 PRO CA C 13 63.6 0.3 . 1 . . . . 113 PRO CA . 15715 1 1167 . 1 1 113 113 PRO CB C 13 34.7 0.3 . 1 . . . . 113 PRO CB . 15715 1 1168 . 1 1 113 113 PRO CD C 13 50.5 0.3 . 1 . . . . 113 PRO CD . 15715 1 1169 . 1 1 113 113 PRO CG C 13 27.3 0.3 . 1 . . . . 113 PRO CG . 15715 1 1170 . 1 1 114 114 THR H H 1 8.36 0.02 . 1 . . . . 114 THR H . 15715 1 1171 . 1 1 114 114 THR HA H 1 4.49 0.02 . 1 . . . . 114 THR HA . 15715 1 1172 . 1 1 114 114 THR HB H 1 4.50 0.02 . 1 . . . . 114 THR HB . 15715 1 1173 . 1 1 114 114 THR HG21 H 1 1.36 0.02 . 1 . . . . 114 THR HG2 . 15715 1 1174 . 1 1 114 114 THR HG22 H 1 1.36 0.02 . 1 . . . . 114 THR HG2 . 15715 1 1175 . 1 1 114 114 THR HG23 H 1 1.36 0.02 . 1 . . . . 114 THR HG2 . 15715 1 1176 . 1 1 114 114 THR C C 13 177.1 0.3 . 1 . . . . 114 THR C . 15715 1 1177 . 1 1 114 114 THR CA C 13 63.5 0.3 . 1 . . . . 114 THR CA . 15715 1 1178 . 1 1 114 114 THR CB C 13 69.2 0.3 . 1 . . . . 114 THR CB . 15715 1 1179 . 1 1 114 114 THR CG2 C 13 21.5 0.3 . 1 . . . . 114 THR CG2 . 15715 1 1180 . 1 1 114 114 THR N N 15 113.9 0.3 . 1 . . . . 114 THR N . 15715 1 1181 . 1 1 115 115 GLY H H 1 8.56 0.02 . 1 . . . . 115 GLY H . 15715 1 1182 . 1 1 115 115 GLY HA2 H 1 3.90 0.02 . 2 . . . . 115 GLY HA2 . 15715 1 1183 . 1 1 115 115 GLY HA3 H 1 3.37 0.02 . 2 . . . . 115 GLY HA3 . 15715 1 1184 . 1 1 115 115 GLY C C 13 174.1 0.3 . 1 . . . . 115 GLY C . 15715 1 1185 . 1 1 115 115 GLY CA C 13 45.5 0.3 . 1 . . . . 115 GLY CA . 15715 1 1186 . 1 1 115 115 GLY N N 15 111.6 0.3 . 1 . . . . 115 GLY N . 15715 1 1187 . 1 1 116 116 GLN H H 1 7.94 0.02 . 1 . . . . 116 GLN H . 15715 1 1188 . 1 1 116 116 GLN HA H 1 4.62 0.02 . 1 . . . . 116 GLN HA . 15715 1 1189 . 1 1 116 116 GLN HB2 H 1 2.07 0.02 . 2 . . . . 116 GLN HB2 . 15715 1 1190 . 1 1 116 116 GLN HB3 H 1 1.55 0.02 . 2 . . . . 116 GLN HB3 . 15715 1 1191 . 1 1 116 116 GLN HE21 H 1 7.14 0.02 . 1 . . . . 116 GLN HE21 . 15715 1 1192 . 1 1 116 116 GLN HE22 H 1 6.79 0.02 . 1 . . . . 116 GLN HE22 . 15715 1 1193 . 1 1 116 116 GLN HG2 H 1 2.17 0.02 . 1 . . . . 116 GLN HG2 . 15715 1 1194 . 1 1 116 116 GLN C C 13 173.6 0.3 . 1 . . . . 116 GLN C . 15715 1 1195 . 1 1 116 116 GLN CA C 13 54.3 0.3 . 1 . . . . 116 GLN CA . 15715 1 1196 . 1 1 116 116 GLN CB C 13 31.1 0.3 . 1 . . . . 116 GLN CB . 15715 1 1197 . 1 1 116 116 GLN CG C 13 36.8 0.3 . 1 . . . . 116 GLN CG . 15715 1 1198 . 1 1 116 116 GLN N N 15 118.9 0.3 . 1 . . . . 116 GLN N . 15715 1 1199 . 1 1 116 116 GLN NE2 N 15 113.3 0.3 . 1 . . . . 116 GLN NE2 . 15715 1 1200 . 1 1 117 117 ARG H H 1 9.00 0.02 . 1 . . . . 117 ARG H . 15715 1 1201 . 1 1 117 117 ARG HA H 1 4.92 0.02 . 1 . . . . 117 ARG HA . 15715 1 1202 . 1 1 117 117 ARG HB2 H 1 2.26 0.02 . 2 . . . . 117 ARG HB2 . 15715 1 1203 . 1 1 117 117 ARG HB3 H 1 1.40 0.02 . 2 . . . . 117 ARG HB3 . 15715 1 1204 . 1 1 117 117 ARG HD2 H 1 3.12 0.02 . 1 . . . . 117 ARG HD2 . 15715 1 1205 . 1 1 117 117 ARG HG2 H 1 1.28 0.02 . 1 . . . . 117 ARG HG2 . 15715 1 1206 . 1 1 117 117 ARG C C 13 175.4 0.3 . 1 . . . . 117 ARG C . 15715 1 1207 . 1 1 117 117 ARG CA C 13 54.6 0.3 . 1 . . . . 117 ARG CA . 15715 1 1208 . 1 1 117 117 ARG CB C 13 33.8 0.3 . 1 . . . . 117 ARG CB . 15715 1 1209 . 1 1 117 117 ARG N N 15 122.8 0.3 . 1 . . . . 117 ARG N . 15715 1 1210 . 1 1 118 118 PHE H H 1 9.71 0.02 . 1 . . . . 118 PHE H . 15715 1 1211 . 1 1 118 118 PHE HA H 1 4.40 0.02 . 1 . . . . 118 PHE HA . 15715 1 1212 . 1 1 118 118 PHE HB2 H 1 3.17 0.02 . 2 . . . . 118 PHE HB2 . 15715 1 1213 . 1 1 118 118 PHE HB3 H 1 3.08 0.02 . 2 . . . . 118 PHE HB3 . 15715 1 1214 . 1 1 118 118 PHE HD1 H 1 7.07 0.02 . 1 . . . . 118 PHE HD1 . 15715 1 1215 . 1 1 118 118 PHE C C 13 173.6 0.3 . 1 . . . . 118 PHE C . 15715 1 1216 . 1 1 118 118 PHE CA C 13 58.7 0.3 . 1 . . . . 118 PHE CA . 15715 1 1217 . 1 1 118 118 PHE CB C 13 38.6 0.3 . 1 . . . . 118 PHE CB . 15715 1 1218 . 1 1 118 118 PHE N N 15 127.2 0.3 . 1 . . . . 118 PHE N . 15715 1 1219 . 1 1 119 119 CYS H H 1 9.41 0.02 . 1 . . . . 119 CYS H . 15715 1 1220 . 1 1 119 119 CYS HA H 1 4.71 0.02 . 1 . . . . 119 CYS HA . 15715 1 1221 . 1 1 119 119 CYS HB2 H 1 3.09 0.02 . 2 . . . . 119 CYS HB2 . 15715 1 1222 . 1 1 119 119 CYS HB3 H 1 2.60 0.02 . 2 . . . . 119 CYS HB3 . 15715 1 1223 . 1 1 119 119 CYS C C 13 172.3 0.3 . 1 . . . . 119 CYS C . 15715 1 1224 . 1 1 119 119 CYS CA C 13 57.6 0.3 . 1 . . . . 119 CYS CA . 15715 1 1225 . 1 1 119 119 CYS CB C 13 27.3 0.3 . 1 . . . . 119 CYS CB . 15715 1 1226 . 1 1 119 119 CYS N N 15 130.1 0.3 . 1 . . . . 119 CYS N . 15715 1 1227 . 1 1 120 120 ILE H H 1 8.29 0.02 . 1 . . . . 120 ILE H . 15715 1 1228 . 1 1 120 120 ILE HA H 1 4.36 0.02 . 1 . . . . 120 ILE HA . 15715 1 1229 . 1 1 120 120 ILE HB H 1 1.63 0.02 . 1 . . . . 120 ILE HB . 15715 1 1230 . 1 1 120 120 ILE HD11 H 1 0.45 0.02 . 1 . . . . 120 ILE HD1 . 15715 1 1231 . 1 1 120 120 ILE HD12 H 1 0.45 0.02 . 1 . . . . 120 ILE HD1 . 15715 1 1232 . 1 1 120 120 ILE HD13 H 1 0.45 0.02 . 1 . . . . 120 ILE HD1 . 15715 1 1233 . 1 1 120 120 ILE HG12 H 1 1.45 0.02 . 2 . . . . 120 ILE HG12 . 15715 1 1234 . 1 1 120 120 ILE HG13 H 1 1.29 0.02 . 2 . . . . 120 ILE HG13 . 15715 1 1235 . 1 1 120 120 ILE HG21 H 1 0.85 0.02 . 1 . . . . 120 ILE HG2 . 15715 1 1236 . 1 1 120 120 ILE HG22 H 1 0.85 0.02 . 1 . . . . 120 ILE HG2 . 15715 1 1237 . 1 1 120 120 ILE HG23 H 1 0.85 0.02 . 1 . . . . 120 ILE HG2 . 15715 1 1238 . 1 1 120 120 ILE C C 13 173.7 0.3 . 1 . . . . 120 ILE C . 15715 1 1239 . 1 1 120 120 ILE CA C 13 56.2 0.3 . 1 . . . . 120 ILE CA . 15715 1 1240 . 1 1 120 120 ILE CB C 13 38.7 0.3 . 1 . . . . 120 ILE CB . 15715 1 1241 . 1 1 120 120 ILE CD1 C 13 9.5 0.3 . 1 . . . . 120 ILE CD1 . 15715 1 1242 . 1 1 120 120 ILE CG1 C 13 26.6 0.3 . 1 . . . . 120 ILE CG1 . 15715 1 1243 . 1 1 120 120 ILE CG2 C 13 17.8 0.3 . 1 . . . . 120 ILE CG2 . 15715 1 1244 . 1 1 120 120 ILE N N 15 128.6 0.3 . 1 . . . . 120 ILE N . 15715 1 1245 . 1 1 121 121 ASN H H 1 7.76 0.02 . 1 . . . . 121 ASN H . 15715 1 1246 . 1 1 121 121 ASN HA H 1 4.48 0.02 . 1 . . . . 121 ASN HA . 15715 1 1247 . 1 1 121 121 ASN HB2 H 1 2.42 0.02 . 2 . . . . 121 ASN HB2 . 15715 1 1248 . 1 1 121 121 ASN HB3 H 1 2.28 0.02 . 2 . . . . 121 ASN HB3 . 15715 1 1249 . 1 1 121 121 ASN HD21 H 1 7.88 0.02 . 1 . . . . 121 ASN HD21 . 15715 1 1250 . 1 1 121 121 ASN HD22 H 1 6.50 0.02 . 1 . . . . 121 ASN HD22 . 15715 1 1251 . 1 1 121 121 ASN C C 13 175.5 0.3 . 1 . . . . 121 ASN C . 15715 1 1252 . 1 1 121 121 ASN CA C 13 54.4 0.3 . 1 . . . . 121 ASN CA . 15715 1 1253 . 1 1 121 121 ASN CB C 13 42.3 0.3 . 1 . . . . 121 ASN CB . 15715 1 1254 . 1 1 121 121 ASN N N 15 121.3 0.3 . 1 . . . . 121 ASN N . 15715 1 1255 . 1 1 121 121 ASN ND2 N 15 115.9 0.3 . 1 . . . . 121 ASN ND2 . 15715 1 1256 . 1 1 122 122 SER H H 1 11.68 0.02 . 1 . . . . 122 SER H . 15715 1 1257 . 1 1 122 122 SER HA H 1 4.72 0.02 . 1 . . . . 122 SER HA . 15715 1 1258 . 1 1 122 122 SER HB2 H 1 4.06 0.02 . 2 . . . . 122 SER HB2 . 15715 1 1259 . 1 1 122 122 SER HB3 H 1 3.71 0.02 . 2 . . . . 122 SER HB3 . 15715 1 1260 . 1 1 122 122 SER C C 13 177.1 0.3 . 1 . . . . 122 SER C . 15715 1 1261 . 1 1 122 122 SER CA C 13 63.4 0.3 . 1 . . . . 122 SER CA . 15715 1 1262 . 1 1 122 122 SER CB C 13 65.5 0.3 . 1 . . . . 122 SER CB . 15715 1 1263 . 1 1 122 122 SER N N 15 125.5 0.3 . 1 . . . . 122 SER N . 15715 1 1264 . 1 1 123 123 VAL H H 1 9.01 0.02 . 1 . . . . 123 VAL H . 15715 1 1265 . 1 1 123 123 VAL HA H 1 4.29 0.02 . 1 . . . . 123 VAL HA . 15715 1 1266 . 1 1 123 123 VAL HB H 1 2.27 0.02 . 1 . . . . 123 VAL HB . 15715 1 1267 . 1 1 123 123 VAL HG11 H 1 1.14 0.02 . 1 . . . . 123 VAL HG1 . 15715 1 1268 . 1 1 123 123 VAL HG12 H 1 1.14 0.02 . 1 . . . . 123 VAL HG1 . 15715 1 1269 . 1 1 123 123 VAL HG13 H 1 1.14 0.02 . 1 . . . . 123 VAL HG1 . 15715 1 1270 . 1 1 123 123 VAL HG21 H 1 1.11 0.02 . 1 . . . . 123 VAL HG2 . 15715 1 1271 . 1 1 123 123 VAL HG22 H 1 1.11 0.02 . 1 . . . . 123 VAL HG2 . 15715 1 1272 . 1 1 123 123 VAL HG23 H 1 1.11 0.02 . 1 . . . . 123 VAL HG2 . 15715 1 1273 . 1 1 123 123 VAL C C 13 175.8 0.3 . 1 . . . . 123 VAL C . 15715 1 1274 . 1 1 123 123 VAL CA C 13 64.0 0.3 . 1 . . . . 123 VAL CA . 15715 1 1275 . 1 1 123 123 VAL CB C 13 32.1 0.3 . 1 . . . . 123 VAL CB . 15715 1 1276 . 1 1 123 123 VAL CG1 C 13 21.8 0.3 . 1 . . . . 123 VAL CG1 . 15715 1 1277 . 1 1 123 123 VAL CG2 C 13 21.3 0.3 . 1 . . . . 123 VAL CG2 . 15715 1 1278 . 1 1 123 123 VAL N N 15 112.1 0.3 . 1 . . . . 123 VAL N . 15715 1 1279 . 1 1 124 124 ALA H H 1 7.24 0.02 . 1 . . . . 124 ALA H . 15715 1 1280 . 1 1 124 124 ALA HA H 1 4.22 0.02 . 1 . . . . 124 ALA HA . 15715 1 1281 . 1 1 124 124 ALA HB1 H 1 1.34 0.02 . 1 . . . . 124 ALA HB . 15715 1 1282 . 1 1 124 124 ALA HB2 H 1 1.34 0.02 . 1 . . . . 124 ALA HB . 15715 1 1283 . 1 1 124 124 ALA HB3 H 1 1.34 0.02 . 1 . . . . 124 ALA HB . 15715 1 1284 . 1 1 124 124 ALA C C 13 176.0 0.3 . 1 . . . . 124 ALA C . 15715 1 1285 . 1 1 124 124 ALA CA C 13 52.4 0.3 . 1 . . . . 124 ALA CA . 15715 1 1286 . 1 1 124 124 ALA CB C 13 18.9 0.3 . 1 . . . . 124 ALA CB . 15715 1 1287 . 1 1 124 124 ALA N N 15 119.7 0.3 . 1 . . . . 124 ALA N . 15715 1 1288 . 1 1 125 125 LEU H H 1 8.20 0.02 . 1 . . . . 125 LEU H . 15715 1 1289 . 1 1 125 125 LEU HA H 1 5.55 0.02 . 1 . . . . 125 LEU HA . 15715 1 1290 . 1 1 125 125 LEU HB2 H 1 2.51 0.02 . 2 . . . . 125 LEU HB2 . 15715 1 1291 . 1 1 125 125 LEU HB3 H 1 1.57 0.02 . 2 . . . . 125 LEU HB3 . 15715 1 1292 . 1 1 125 125 LEU HD11 H 1 0.77 0.02 . 1 . . . . 125 LEU HD1 . 15715 1 1293 . 1 1 125 125 LEU HD12 H 1 0.77 0.02 . 1 . . . . 125 LEU HD1 . 15715 1 1294 . 1 1 125 125 LEU HD13 H 1 0.77 0.02 . 1 . . . . 125 LEU HD1 . 15715 1 1295 . 1 1 125 125 LEU HD21 H 1 0.73 0.02 . 1 . . . . 125 LEU HD2 . 15715 1 1296 . 1 1 125 125 LEU HD22 H 1 0.73 0.02 . 1 . . . . 125 LEU HD2 . 15715 1 1297 . 1 1 125 125 LEU HD23 H 1 0.73 0.02 . 1 . . . . 125 LEU HD2 . 15715 1 1298 . 1 1 125 125 LEU HG H 1 2.03 0.02 . 1 . . . . 125 LEU HG . 15715 1 1299 . 1 1 125 125 LEU C C 13 175.6 0.3 . 1 . . . . 125 LEU C . 15715 1 1300 . 1 1 125 125 LEU CA C 13 52.8 0.3 . 1 . . . . 125 LEU CA . 15715 1 1301 . 1 1 125 125 LEU CB C 13 47.0 0.3 . 1 . . . . 125 LEU CB . 15715 1 1302 . 1 1 125 125 LEU CD1 C 13 25.5 0.3 . 1 . . . . 125 LEU CD1 . 15715 1 1303 . 1 1 125 125 LEU CD2 C 13 24.8 0.3 . 1 . . . . 125 LEU CD2 . 15715 1 1304 . 1 1 125 125 LEU CG C 13 25.8 0.3 . 1 . . . . 125 LEU CG . 15715 1 1305 . 1 1 125 125 LEU N N 15 117.9 0.3 . 1 . . . . 125 LEU N . 15715 1 1306 . 1 1 126 126 LYS H H 1 9.25 0.02 . 1 . . . . 126 LYS H . 15715 1 1307 . 1 1 126 126 LYS HA H 1 4.90 0.02 . 1 . . . . 126 LYS HA . 15715 1 1308 . 1 1 126 126 LYS HB2 H 1 1.74 0.02 . 2 . . . . 126 LYS HB2 . 15715 1 1309 . 1 1 126 126 LYS HB3 H 1 1.71 0.02 . 2 . . . . 126 LYS HB3 . 15715 1 1310 . 1 1 126 126 LYS HD2 H 1 1.63 0.02 . 2 . . . . 126 LYS HD2 . 15715 1 1311 . 1 1 126 126 LYS HD3 H 1 1.61 0.02 . 2 . . . . 126 LYS HD3 . 15715 1 1312 . 1 1 126 126 LYS HE2 H 1 2.93 0.02 . 2 . . . . 126 LYS HE2 . 15715 1 1313 . 1 1 126 126 LYS HE3 H 1 2.83 0.02 . 2 . . . . 126 LYS HE3 . 15715 1 1314 . 1 1 126 126 LYS HG2 H 1 1.33 0.02 . 2 . . . . 126 LYS HG2 . 15715 1 1315 . 1 1 126 126 LYS HG3 H 1 1.26 0.02 . 2 . . . . 126 LYS HG3 . 15715 1 1316 . 1 1 126 126 LYS C C 13 175.5 0.3 . 1 . . . . 126 LYS C . 15715 1 1317 . 1 1 126 126 LYS CA C 13 55.0 0.3 . 1 . . . . 126 LYS CA . 15715 1 1318 . 1 1 126 126 LYS CB C 13 35.9 0.3 . 1 . . . . 126 LYS CB . 15715 1 1319 . 1 1 126 126 LYS CD C 13 29.8 0.3 . 1 . . . . 126 LYS CD . 15715 1 1320 . 1 1 126 126 LYS CE C 13 42.8 0.3 . 1 . . . . 126 LYS CE . 15715 1 1321 . 1 1 126 126 LYS CG C 13 24.6 0.3 . 1 . . . . 126 LYS CG . 15715 1 1322 . 1 1 126 126 LYS N N 15 120.3 0.3 . 1 . . . . 126 LYS N . 15715 1 1323 . 1 1 127 127 PHE H H 1 8.06 0.02 . 1 . . . . 127 PHE H . 15715 1 1324 . 1 1 127 127 PHE HA H 1 4.51 0.02 . 1 . . . . 127 PHE HA . 15715 1 1325 . 1 1 127 127 PHE HB2 H 1 2.30 0.02 . 2 . . . . 127 PHE HB2 . 15715 1 1326 . 1 1 127 127 PHE HB3 H 1 1.79 0.02 . 2 . . . . 127 PHE HB3 . 15715 1 1327 . 1 1 127 127 PHE HD1 H 1 7.10 0.02 . 1 . . . . 127 PHE HD1 . 15715 1 1328 . 1 1 127 127 PHE C C 13 174.2 0.3 . 1 . . . . 127 PHE C . 15715 1 1329 . 1 1 127 127 PHE CA C 13 56.3 0.3 . 1 . . . . 127 PHE CA . 15715 1 1330 . 1 1 127 127 PHE CB C 13 41.0 0.3 . 1 . . . . 127 PHE CB . 15715 1 1331 . 1 1 127 127 PHE N N 15 126.4 0.3 . 1 . . . . 127 PHE N . 15715 1 1332 . 1 1 128 128 LYS H H 1 8.47 0.02 . 1 . . . . 128 LYS H . 15715 1 1333 . 1 1 128 128 LYS HA H 1 4.79 0.02 . 1 . . . . 128 LYS HA . 15715 1 1334 . 1 1 128 128 LYS HB2 H 1 1.36 0.02 . 2 . . . . 128 LYS HB2 . 15715 1 1335 . 1 1 128 128 LYS HB3 H 1 1.98 0.02 . 2 . . . . 128 LYS HB3 . 15715 1 1336 . 1 1 128 128 LYS HD2 H 1 1.21 0.02 . 1 . . . . 128 LYS HD2 . 15715 1 1337 . 1 1 128 128 LYS HG2 H 1 0.79 0.02 . 1 . . . . 128 LYS HG2 . 15715 1 1338 . 1 1 128 128 LYS C C 13 173.0 0.3 . 1 . . . . 128 LYS C . 15715 1 1339 . 1 1 128 128 LYS CA C 13 52.4 0.3 . 1 . . . . 128 LYS CA . 15715 1 1340 . 1 1 128 128 LYS CB C 13 33.0 0.3 . 1 . . . . 128 LYS CB . 15715 1 1341 . 1 1 128 128 LYS N N 15 129.1 0.3 . 1 . . . . 128 LYS N . 15715 1 1342 . 1 1 129 129 PRO HA H 1 4.20 0.02 . 1 . . . . 129 PRO HA . 15715 1 1343 . 1 1 129 129 PRO HB2 H 1 2.35 0.02 . 2 . . . . 129 PRO HB2 . 15715 1 1344 . 1 1 129 129 PRO HB3 H 1 1.95 0.02 . 2 . . . . 129 PRO HB3 . 15715 1 1345 . 1 1 129 129 PRO HD2 H 1 3.52 0.02 . 1 . . . . 129 PRO HD2 . 15715 1 1346 . 1 1 129 129 PRO HG2 H 1 2.26 0.02 . 2 . . . . 129 PRO HG2 . 15715 1 1347 . 1 1 129 129 PRO HG3 H 1 2.03 0.02 . 2 . . . . 129 PRO HG3 . 15715 1 1348 . 1 1 129 129 PRO CA C 13 62.3 0.3 . 1 . . . . 129 PRO CA . 15715 1 1349 . 1 1 129 129 PRO CB C 13 32.0 0.3 . 1 . . . . 129 PRO CB . 15715 1 1350 . 1 1 129 129 PRO CD C 13 50.2 0.3 . 1 . . . . 129 PRO CD . 15715 1 1351 . 1 1 129 129 PRO CG C 13 28.6 0.3 . 1 . . . . 129 PRO CG . 15715 1 1352 . 1 1 130 130 SER H H 1 8.33 0.02 . 1 . . . . 130 SER H . 15715 1 1353 . 1 1 130 130 SER HA H 1 4.28 0.02 . 1 . . . . 130 SER HA . 15715 1 1354 . 1 1 130 130 SER HB2 H 1 3.71 0.02 . 2 . . . . 130 SER HB2 . 15715 1 1355 . 1 1 130 130 SER HB3 H 1 3.63 0.02 . 2 . . . . 130 SER HB3 . 15715 1 1356 . 1 1 130 130 SER C C 13 174.0 0.3 . 1 . . . . 130 SER C . 15715 1 1357 . 1 1 130 130 SER CA C 13 58.6 0.3 . 1 . . . . 130 SER CA . 15715 1 1358 . 1 1 130 130 SER CB C 13 63.5 0.3 . 1 . . . . 130 SER CB . 15715 1 1359 . 1 1 130 130 SER N N 15 118.2 0.3 . 1 . . . . 130 SER N . 15715 1 1360 . 1 1 131 131 LYS H H 1 8.31 0.02 . 1 . . . . 131 LYS H . 15715 1 1361 . 1 1 131 131 LYS HA H 1 4.58 0.02 . 1 . . . . 131 LYS HA . 15715 1 1362 . 1 1 131 131 LYS HB2 H 1 1.73 0.02 . 2 . . . . 131 LYS HB2 . 15715 1 1363 . 1 1 131 131 LYS HB3 H 1 1.65 0.02 . 2 . . . . 131 LYS HB3 . 15715 1 1364 . 1 1 131 131 LYS HD2 H 1 1.65 0.02 . 2 . . . . 131 LYS HD2 . 15715 1 1365 . 1 1 131 131 LYS HD3 H 1 1.62 0.02 . 2 . . . . 131 LYS HD3 . 15715 1 1366 . 1 1 131 131 LYS HE2 H 1 2.96 0.02 . 2 . . . . 131 LYS HE2 . 15715 1 1367 . 1 1 131 131 LYS HE3 H 1 2.82 0.02 . 2 . . . . 131 LYS HE3 . 15715 1 1368 . 1 1 131 131 LYS HG2 H 1 1.41 0.02 . 2 . . . . 131 LYS HG2 . 15715 1 1369 . 1 1 131 131 LYS HG3 H 1 1.36 0.02 . 2 . . . . 131 LYS HG3 . 15715 1 1370 . 1 1 131 131 LYS C C 13 174.1 0.3 . 1 . . . . 131 LYS C . 15715 1 1371 . 1 1 131 131 LYS CA C 13 54.0 0.3 . 1 . . . . 131 LYS CA . 15715 1 1372 . 1 1 131 131 LYS CB C 13 32.6 0.3 . 1 . . . . 131 LYS CB . 15715 1 1373 . 1 1 131 131 LYS CD C 13 28.9 0.3 . 1 . . . . 131 LYS CD . 15715 1 1374 . 1 1 131 131 LYS CE C 13 41.4 0.3 . 1 . . . . 131 LYS CE . 15715 1 1375 . 1 1 131 131 LYS CG C 13 24.4 0.3 . 1 . . . . 131 LYS CG . 15715 1 1376 . 1 1 131 131 LYS N N 15 124.3 0.3 . 1 . . . . 131 LYS N . 15715 1 1377 . 1 1 132 132 PRO HA H 1 4.33 0.02 . 1 . . . . 132 PRO HA . 15715 1 1378 . 1 1 132 132 PRO HB2 H 1 2.26 0.02 . 2 . . . . 132 PRO HB2 . 15715 1 1379 . 1 1 132 132 PRO HB3 H 1 1.87 0.02 . 2 . . . . 132 PRO HB3 . 15715 1 1380 . 1 1 132 132 PRO HD2 H 1 3.77 0.02 . 2 . . . . 132 PRO HD2 . 15715 1 1381 . 1 1 132 132 PRO HD3 H 1 3.58 0.02 . 2 . . . . 132 PRO HD3 . 15715 1 1382 . 1 1 132 132 PRO HG2 H 1 1.99 0.02 . 2 . . . . 132 PRO HG2 . 15715 1 1383 . 1 1 132 132 PRO HG3 H 1 1.95 0.02 . 2 . . . . 132 PRO HG3 . 15715 1 1384 . 1 1 132 132 PRO C C 13 176.7 0.3 . 1 . . . . 132 PRO C . 15715 1 1385 . 1 1 132 132 PRO CA C 13 63.0 0.3 . 1 . . . . 132 PRO CA . 15715 1 1386 . 1 1 132 132 PRO CB C 13 31.9 0.3 . 1 . . . . 132 PRO CB . 15715 1 1387 . 1 1 132 132 PRO CD C 13 50.8 0.3 . 1 . . . . 132 PRO CD . 15715 1 1388 . 1 1 132 132 PRO CG C 13 27.3 0.3 . 1 . . . . 132 PRO CG . 15715 1 1389 . 1 1 133 133 ALA H H 1 8.41 0.02 . 1 . . . . 133 ALA H . 15715 1 1390 . 1 1 133 133 ALA HA H 1 4.21 0.02 . 1 . . . . 133 ALA HA . 15715 1 1391 . 1 1 133 133 ALA HB1 H 1 1.37 0.02 . 1 . . . . 133 ALA HB . 15715 1 1392 . 1 1 133 133 ALA HB2 H 1 1.37 0.02 . 1 . . . . 133 ALA HB . 15715 1 1393 . 1 1 133 133 ALA HB3 H 1 1.37 0.02 . 1 . . . . 133 ALA HB . 15715 1 1394 . 1 1 133 133 ALA C C 13 177.7 0.3 . 1 . . . . 133 ALA C . 15715 1 1395 . 1 1 133 133 ALA CA C 13 52.4 0.3 . 1 . . . . 133 ALA CA . 15715 1 1396 . 1 1 133 133 ALA CB C 13 19.1 0.3 . 1 . . . . 133 ALA CB . 15715 1 1397 . 1 1 133 133 ALA N N 15 125.3 0.3 . 1 . . . . 133 ALA N . 15715 1 1398 . 1 1 134 134 ALA H H 1 8.23 0.02 . 1 . . . . 134 ALA H . 15715 1 1399 . 1 1 134 134 ALA HA H 1 4.24 0.02 . 1 . . . . 134 ALA HA . 15715 1 1400 . 1 1 134 134 ALA HB1 H 1 1.37 0.02 . 1 . . . . 134 ALA HB . 15715 1 1401 . 1 1 134 134 ALA HB2 H 1 1.37 0.02 . 1 . . . . 134 ALA HB . 15715 1 1402 . 1 1 134 134 ALA HB3 H 1 1.37 0.02 . 1 . . . . 134 ALA HB . 15715 1 1403 . 1 1 134 134 ALA C C 13 177.6 0.3 . 1 . . . . 134 ALA C . 15715 1 1404 . 1 1 134 134 ALA CA C 13 52.4 0.3 . 1 . . . . 134 ALA CA . 15715 1 1405 . 1 1 134 134 ALA CB C 13 19.0 0.3 . 1 . . . . 134 ALA CB . 15715 1 1406 . 1 1 134 134 ALA N N 15 123.9 0.3 . 1 . . . . 134 ALA N . 15715 1 1407 . 1 1 135 135 ALA H H 1 8.19 0.02 . 1 . . . . 135 ALA H . 15715 1 1408 . 1 1 135 135 ALA HA H 1 4.26 0.02 . 1 . . . . 135 ALA HA . 15715 1 1409 . 1 1 135 135 ALA HB1 H 1 1.34 0.02 . 1 . . . . 135 ALA HB . 15715 1 1410 . 1 1 135 135 ALA HB2 H 1 1.34 0.02 . 1 . . . . 135 ALA HB . 15715 1 1411 . 1 1 135 135 ALA HB3 H 1 1.34 0.02 . 1 . . . . 135 ALA HB . 15715 1 1412 . 1 1 135 135 ALA C C 13 177.7 0.3 . 1 . . . . 135 ALA C . 15715 1 1413 . 1 1 135 135 ALA CA C 13 52.4 0.3 . 1 . . . . 135 ALA CA . 15715 1 1414 . 1 1 135 135 ALA CB C 13 19.0 0.3 . 1 . . . . 135 ALA CB . 15715 1 1415 . 1 1 135 135 ALA N N 15 123.6 0.3 . 1 . . . . 135 ALA N . 15715 1 1416 . 1 1 136 136 LEU H H 1 8.08 0.02 . 1 . . . . 136 LEU H . 15715 1 1417 . 1 1 136 136 LEU HA H 1 4.23 0.02 . 1 . . . . 136 LEU HA . 15715 1 1418 . 1 1 136 136 LEU HB2 H 1 1.56 0.02 . 2 . . . . 136 LEU HB2 . 15715 1 1419 . 1 1 136 136 LEU HB3 H 1 1.48 0.02 . 2 . . . . 136 LEU HB3 . 15715 1 1420 . 1 1 136 136 LEU HD11 H 1 0.86 0.02 . 1 . . . . 136 LEU HD1 . 15715 1 1421 . 1 1 136 136 LEU HD12 H 1 0.86 0.02 . 1 . . . . 136 LEU HD1 . 15715 1 1422 . 1 1 136 136 LEU HD13 H 1 0.86 0.02 . 1 . . . . 136 LEU HD1 . 15715 1 1423 . 1 1 136 136 LEU HD21 H 1 0.80 0.02 . 1 . . . . 136 LEU HD2 . 15715 1 1424 . 1 1 136 136 LEU HD22 H 1 0.80 0.02 . 1 . . . . 136 LEU HD2 . 15715 1 1425 . 1 1 136 136 LEU HD23 H 1 0.80 0.02 . 1 . . . . 136 LEU HD2 . 15715 1 1426 . 1 1 136 136 LEU HG H 1 1.57 0.02 . 1 . . . . 136 LEU HG . 15715 1 1427 . 1 1 136 136 LEU C C 13 175.9 0.3 . 1 . . . . 136 LEU C . 15715 1 1428 . 1 1 136 136 LEU CA C 13 55.0 0.3 . 1 . . . . 136 LEU CA . 15715 1 1429 . 1 1 136 136 LEU CB C 13 42.2 0.3 . 1 . . . . 136 LEU CB . 15715 1 1430 . 1 1 136 136 LEU CD1 C 13 24.6 0.3 . 1 . . . . 136 LEU CD1 . 15715 1 1431 . 1 1 136 136 LEU CD2 C 13 23.2 0.3 . 1 . . . . 136 LEU CD2 . 15715 1 1432 . 1 1 136 136 LEU CG C 13 26.9 0.3 . 1 . . . . 136 LEU CG . 15715 1 1433 . 1 1 136 136 LEU N N 15 121.7 0.3 . 1 . . . . 136 LEU N . 15715 1 1434 . 1 1 137 137 GLU H H 1 8.20 0.02 . 1 . . . . 137 GLU H . 15715 1 1435 . 1 1 137 137 GLU HA H 1 4.19 0.02 . 1 . . . . 137 GLU HA . 15715 1 1436 . 1 1 137 137 GLU HB2 H 1 1.86 0.02 . 2 . . . . 137 GLU HB2 . 15715 1 1437 . 1 1 137 137 GLU HB3 H 1 1.82 0.02 . 2 . . . . 137 GLU HB3 . 15715 1 1438 . 1 1 137 137 GLU HG2 H 1 2.15 0.02 . 2 . . . . 137 GLU HG2 . 15715 1 1439 . 1 1 137 137 GLU HG3 H 1 2.10 0.02 . 2 . . . . 137 GLU HG3 . 15715 1 1440 . 1 1 137 137 GLU C C 13 175.8 0.3 . 1 . . . . 137 GLU C . 15715 1 1441 . 1 1 137 137 GLU CA C 13 56.3 0.3 . 1 . . . . 137 GLU CA . 15715 1 1442 . 1 1 137 137 GLU CB C 13 30.0 0.3 . 1 . . . . 137 GLU CB . 15715 1 1443 . 1 1 137 137 GLU CG C 13 35.9 0.3 . 1 . . . . 137 GLU CG . 15715 1 1444 . 1 1 137 137 GLU N N 15 121.9 0.3 . 1 . . . . 137 GLU N . 15715 1 1445 . 1 1 138 138 HIS H H 1 8.33 0.02 . 1 . . . . 138 HIS H . 15715 1 1446 . 1 1 138 138 HIS HA H 1 4.59 0.02 . 1 . . . . 138 HIS HA . 15715 1 1447 . 1 1 138 138 HIS HB2 H 1 3.12 0.02 . 2 . . . . 138 HIS HB2 . 15715 1 1448 . 1 1 138 138 HIS HB3 H 1 3.02 0.02 . 2 . . . . 138 HIS HB3 . 15715 1 1449 . 1 1 138 138 HIS C C 13 173.6 0.3 . 1 . . . . 138 HIS C . 15715 1 1450 . 1 1 138 138 HIS CA C 13 55.7 0.3 . 1 . . . . 138 HIS CA . 15715 1 1451 . 1 1 138 138 HIS CB C 13 29.6 0.3 . 1 . . . . 138 HIS CB . 15715 1 1452 . 1 1 138 138 HIS N N 15 120.6 0.3 . 1 . . . . 138 HIS N . 15715 1 1453 . 1 1 139 139 HIS H H 1 8.18 0.02 . 1 . . . . 139 HIS H . 15715 1 1454 . 1 1 139 139 HIS HA H 1 4.39 0.02 . 1 . . . . 139 HIS HA . 15715 1 1455 . 1 1 139 139 HIS HB2 H 1 3.18 0.02 . 2 . . . . 139 HIS HB2 . 15715 1 1456 . 1 1 139 139 HIS HB3 H 1 3.06 0.02 . 2 . . . . 139 HIS HB3 . 15715 1 1457 . 1 1 139 139 HIS C C 13 179.0 0.3 . 1 . . . . 139 HIS C . 15715 1 1458 . 1 1 139 139 HIS CA C 13 57.0 0.3 . 1 . . . . 139 HIS CA . 15715 1 1459 . 1 1 139 139 HIS CB C 13 29.9 0.3 . 1 . . . . 139 HIS CB . 15715 1 1460 . 1 1 139 139 HIS N N 15 126.0 0.3 . 1 . . . . 139 HIS N . 15715 1 stop_ save_