data_15288 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15288 _Entry.Title ; NMR solution structure of Bacillus subtilis YobA 21-120: Northeast Structural Genomics Consortium target SR547 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-06-06 _Entry.Accession_date 2007-06-06 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _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 John Cort . R. . 15288 2 Theresa Ramelot . A. . 15288 3 Chen Cort . X. . 15288 4 Mei Jang . . . 15288 5 Kellie Cunningham . . . 15288 6 Li-Chung Ma . . . 15288 7 Rong Xiao . . . 15288 8 Jinfeng Liu . . . 15288 9 Michael Baran . C. . 15288 10 Thomas Acton . B. . 15288 11 Burkhard Rost . . . 15288 12 Gaetano Montelione . T. . 15288 13 Michael Kennedy . A. . 15288 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'beta barrel' . 15288 OB-fold . 15288 Protein . 15288 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15288 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 456 15288 '15N chemical shifts' 117 15288 '1H chemical shifts' 751 15288 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 2 . . 2010-05-26 2007-06-06 update BMRB 'update entity name' 15288 1 . . 2008-02-20 2007-06-06 original author 'original release' 15288 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2JQO 'BMRB Entry Tracking System' 15288 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15288 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'NMR solution structure of Bacillus subtilis YobA 21-120' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 John Cort . R. . 15288 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15288 _Assembly.ID 1 _Assembly.Name 'YobA 21-120' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 . _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 'YobA 21-120' 1 $entity A . yes native no no . . . 15288 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 15288 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'YobA 21-120' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MNKNEQNGDETKMQSLVGYV VLKDNERAILITDTKAPGKE DYNLSEGQLMNKFKNNIVIV GLSEIDNTDDLKRGEKIKVW FHTRKESNPPSATIQKYELL LEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residue 2 in this entry corresponds to residue 21 in the public database sequence; the first 20 are a putative signal peptide sequence and have been truncated.' _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 108 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'YobA 21-120' _Entity.Mutation 'residue 1 is methionine and not present at this position in the native sequence' _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 2JQO . "Nmr Solution Structure Of Bacillus Subtilis Yoba 21-120: Northeast Structural Genomics Consortium Target Sr547" . . . . . 100.00 108 100.00 100.00 3.71e-72 . . . . 15288 1 2 no PDB 4QY7 . "Crystal Structure Of A Hypothetical Protein (yoba) From Bacillus Subtilis Subsp. Subtilis Str. 168 At 1.55 A Resolution" . . . . . 86.11 93 97.85 97.85 4.60e-58 . . . . 15288 1 3 no DBJ BAM52538 . "hypothetical protein BEST7613_3607 [Bacillus subtilis BEST7613]" . . . . . 91.67 120 100.00 100.00 1.49e-64 . . . . 15288 1 4 no DBJ BAM58113 . "hypothetical protein BEST7003_1912 [Bacillus subtilis BEST7003]" . . . . . 91.67 120 100.00 100.00 1.49e-64 . . . . 15288 1 5 no EMBL CAB13773 . "hypothetical protein BSU18810 [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 91.67 120 100.00 100.00 1.49e-64 . . . . 15288 1 6 no EMBL CEI57077 . "hypothetical protein BS49_20830 [Bacillus subtilis]" . . . . . 91.67 120 100.00 100.00 1.49e-64 . . . . 15288 1 7 no EMBL CEJ77502 . "hypothetical protein BS34A_20830 [Bacillus sp.]" . . . . . 91.67 120 100.00 100.00 1.49e-64 . . . . 15288 1 8 no GB ADV92789 . "hypothetical protein BSn5_00775 [Bacillus subtilis BSn5]" . . . . . 91.67 120 96.97 97.98 1.44e-61 . . . . 15288 1 9 no GB AFQ57816 . "YobA [Bacillus subtilis QB928]" . . . . . 91.67 120 100.00 100.00 1.49e-64 . . . . 15288 1 10 no GB AGG61259 . "YobA [Bacillus subtilis subsp. subtilis 6051-HGW]" . . . . . 91.67 120 100.00 100.00 1.49e-64 . . . . 15288 1 11 no GB AHA77924 . "Uncharacterized protein yobA [Bacillus subtilis PY79]" . . . . . 91.67 120 100.00 100.00 1.49e-64 . . . . 15288 1 12 no GB AIC40308 . "hypothetical protein BSUA_02023 [Bacillus subtilis subsp. subtilis str. JH642 substr. AG174]" . . . . . 91.67 120 100.00 100.00 1.49e-64 . . . . 15288 1 13 no REF NP_389762 . "hypothetical protein BSU18810 [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 91.67 120 100.00 100.00 1.49e-64 . . . . 15288 1 14 no REF WP_003231383 . "MULTISPECIES: hypothetical protein [Bacillus]" . . . . . 91.67 120 100.00 100.00 1.49e-64 . . . . 15288 1 15 no REF WP_015714070 . "hypothetical protein [Bacillus subtilis]" . . . . . 91.67 120 96.97 97.98 1.44e-61 . . . . 15288 1 16 no REF WP_029318065 . "hypothetical protein [Bacillus subtilis]" . . . . . 91.67 120 98.99 98.99 2.06e-63 . . . . 15288 1 17 no REF WP_038429094 . "hypothetical protein [Bacillus subtilis]" . . . . . 91.67 120 96.97 97.98 1.86e-61 . . . . 15288 1 18 no SP O31835 . "RecName: Full=Uncharacterized protein YobA; Flags: Precursor" . . . . . 91.67 120 100.00 100.00 1.49e-64 . . . . 15288 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -1 MET . 15288 1 2 21 ASN . 15288 1 3 22 LYS . 15288 1 4 23 ASN . 15288 1 5 24 GLU . 15288 1 6 25 GLN . 15288 1 7 26 ASN . 15288 1 8 27 GLY . 15288 1 9 28 ASP . 15288 1 10 29 GLU . 15288 1 11 30 THR . 15288 1 12 31 LYS . 15288 1 13 32 MET . 15288 1 14 33 GLN . 15288 1 15 34 SER . 15288 1 16 35 LEU . 15288 1 17 36 VAL . 15288 1 18 37 GLY . 15288 1 19 38 TYR . 15288 1 20 39 VAL . 15288 1 21 40 VAL . 15288 1 22 41 LEU . 15288 1 23 42 LYS . 15288 1 24 43 ASP . 15288 1 25 44 ASN . 15288 1 26 45 GLU . 15288 1 27 46 ARG . 15288 1 28 47 ALA . 15288 1 29 48 ILE . 15288 1 30 49 LEU . 15288 1 31 50 ILE . 15288 1 32 51 THR . 15288 1 33 52 ASP . 15288 1 34 53 THR . 15288 1 35 54 LYS . 15288 1 36 55 ALA . 15288 1 37 56 PRO . 15288 1 38 57 GLY . 15288 1 39 58 LYS . 15288 1 40 59 GLU . 15288 1 41 60 ASP . 15288 1 42 61 TYR . 15288 1 43 62 ASN . 15288 1 44 63 LEU . 15288 1 45 64 SER . 15288 1 46 65 GLU . 15288 1 47 66 GLY . 15288 1 48 67 GLN . 15288 1 49 68 LEU . 15288 1 50 69 MET . 15288 1 51 70 ASN . 15288 1 52 71 LYS . 15288 1 53 72 PHE . 15288 1 54 73 LYS . 15288 1 55 74 ASN . 15288 1 56 75 ASN . 15288 1 57 76 ILE . 15288 1 58 77 VAL . 15288 1 59 78 ILE . 15288 1 60 79 VAL . 15288 1 61 80 GLY . 15288 1 62 81 LEU . 15288 1 63 82 SER . 15288 1 64 83 GLU . 15288 1 65 84 ILE . 15288 1 66 85 ASP . 15288 1 67 86 ASN . 15288 1 68 87 THR . 15288 1 69 88 ASP . 15288 1 70 89 ASP . 15288 1 71 90 LEU . 15288 1 72 91 LYS . 15288 1 73 92 ARG . 15288 1 74 93 GLY . 15288 1 75 94 GLU . 15288 1 76 95 LYS . 15288 1 77 96 ILE . 15288 1 78 97 LYS . 15288 1 79 98 VAL . 15288 1 80 99 TRP . 15288 1 81 100 PHE . 15288 1 82 101 HIS . 15288 1 83 102 THR . 15288 1 84 103 ARG . 15288 1 85 104 LYS . 15288 1 86 105 GLU . 15288 1 87 106 SER . 15288 1 88 107 ASN . 15288 1 89 108 PRO . 15288 1 90 109 PRO . 15288 1 91 110 SER . 15288 1 92 111 ALA . 15288 1 93 112 THR . 15288 1 94 113 ILE . 15288 1 95 114 GLN . 15288 1 96 115 LYS . 15288 1 97 116 TYR . 15288 1 98 117 GLU . 15288 1 99 118 LEU . 15288 1 100 119 LEU . 15288 1 101 120 LEU . 15288 1 102 121 GLU . 15288 1 103 122 HIS . 15288 1 104 123 HIS . 15288 1 105 124 HIS . 15288 1 106 125 HIS . 15288 1 107 126 HIS . 15288 1 108 127 HIS . 15288 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 15288 1 . ASN 2 2 15288 1 . LYS 3 3 15288 1 . ASN 4 4 15288 1 . GLU 5 5 15288 1 . GLN 6 6 15288 1 . ASN 7 7 15288 1 . GLY 8 8 15288 1 . ASP 9 9 15288 1 . GLU 10 10 15288 1 . THR 11 11 15288 1 . LYS 12 12 15288 1 . MET 13 13 15288 1 . GLN 14 14 15288 1 . SER 15 15 15288 1 . LEU 16 16 15288 1 . VAL 17 17 15288 1 . GLY 18 18 15288 1 . TYR 19 19 15288 1 . VAL 20 20 15288 1 . VAL 21 21 15288 1 . LEU 22 22 15288 1 . LYS 23 23 15288 1 . ASP 24 24 15288 1 . ASN 25 25 15288 1 . GLU 26 26 15288 1 . ARG 27 27 15288 1 . ALA 28 28 15288 1 . ILE 29 29 15288 1 . LEU 30 30 15288 1 . ILE 31 31 15288 1 . THR 32 32 15288 1 . ASP 33 33 15288 1 . THR 34 34 15288 1 . LYS 35 35 15288 1 . ALA 36 36 15288 1 . PRO 37 37 15288 1 . GLY 38 38 15288 1 . LYS 39 39 15288 1 . GLU 40 40 15288 1 . ASP 41 41 15288 1 . TYR 42 42 15288 1 . ASN 43 43 15288 1 . LEU 44 44 15288 1 . SER 45 45 15288 1 . GLU 46 46 15288 1 . GLY 47 47 15288 1 . GLN 48 48 15288 1 . LEU 49 49 15288 1 . MET 50 50 15288 1 . ASN 51 51 15288 1 . LYS 52 52 15288 1 . PHE 53 53 15288 1 . LYS 54 54 15288 1 . ASN 55 55 15288 1 . ASN 56 56 15288 1 . ILE 57 57 15288 1 . VAL 58 58 15288 1 . ILE 59 59 15288 1 . VAL 60 60 15288 1 . GLY 61 61 15288 1 . LEU 62 62 15288 1 . SER 63 63 15288 1 . GLU 64 64 15288 1 . ILE 65 65 15288 1 . ASP 66 66 15288 1 . ASN 67 67 15288 1 . THR 68 68 15288 1 . ASP 69 69 15288 1 . ASP 70 70 15288 1 . LEU 71 71 15288 1 . LYS 72 72 15288 1 . ARG 73 73 15288 1 . GLY 74 74 15288 1 . GLU 75 75 15288 1 . LYS 76 76 15288 1 . ILE 77 77 15288 1 . LYS 78 78 15288 1 . VAL 79 79 15288 1 . TRP 80 80 15288 1 . PHE 81 81 15288 1 . HIS 82 82 15288 1 . THR 83 83 15288 1 . ARG 84 84 15288 1 . LYS 85 85 15288 1 . GLU 86 86 15288 1 . SER 87 87 15288 1 . ASN 88 88 15288 1 . PRO 89 89 15288 1 . PRO 90 90 15288 1 . SER 91 91 15288 1 . ALA 92 92 15288 1 . THR 93 93 15288 1 . ILE 94 94 15288 1 . GLN 95 95 15288 1 . LYS 96 96 15288 1 . TYR 97 97 15288 1 . GLU 98 98 15288 1 . LEU 99 99 15288 1 . LEU 100 100 15288 1 . LEU 101 101 15288 1 . GLU 102 102 15288 1 . HIS 103 103 15288 1 . HIS 104 104 15288 1 . HIS 105 105 15288 1 . HIS 106 106 15288 1 . HIS 107 107 15288 1 . HIS 108 108 15288 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 15288 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 1423 organism . 'Bacillus subtilis' . . . Bacteria . Bacillus subtilis . . . . . . . . . . . . . . . . YobA . 'ordered locus name BSU18810' . . 15288 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 15288 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3)+Magic . . . . . . . . . . . . . . . pET21 . . . . . . 15288 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_NC _Sample.Sf_category sample _Sample.Sf_framecode NC _Sample.Entry_ID 15288 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 entity '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 0.75 . . mM . . . . 15288 1 2 dithiothreitol 'natural abundance' . . . . . . 10 . . mM . . . . 15288 1 3 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 15288 1 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15288 1 5 'ammonium acetate' 'natural abundance' . . . . . . 20 . . mM . . . . 15288 1 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 15288 1 7 H2O 'natural abundance' . . . . . . 95 . . % . . . . 15288 1 8 D2O . . . . . . . 5 . . % . . . . 15288 1 stop_ save_ save_NC5 _Sample.Sf_category sample _Sample.Sf_framecode NC5 _Sample.Entry_ID 15288 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '13C from 5% 13C-glucose in growth medium' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 entity '[5% 13C; U-100% N15]' . . 1 $entity . . 0.79 . . mM . . . . 15288 2 2 dithiothreitol 'natural abundance' . . . . . . 10 . . mM . . . . 15288 2 3 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 15288 2 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15288 2 5 'ammonium acetate' 'natural abundance' . . . . . . 20 . . mM . . . . 15288 2 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 15288 2 7 H2O 'natural abundance' . . . . . . 95 . . % . . . . 15288 2 8 D2O . . . . . . . 5 . . % . . . . 15288 2 stop_ save_ save_NC_D2O _Sample.Sf_category sample _Sample.Sf_framecode NC_D2O _Sample.Entry_ID 15288 _Sample.ID 3 _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 entity '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 0.75 . . mM . . . . 15288 3 2 dithiothreitol 'natural abundance' . . . . . . 10 . . mM . . . . 15288 3 3 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 15288 3 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15288 3 5 'ammonium acetate' 'natural abundance' . . . . . . 20 . . mM . . . . 15288 3 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 15288 3 7 D2O . . . . . . . 100 . . % . . . . 15288 3 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 15288 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 4.5 . pH 15288 1 pressure 1 . atm 15288 1 temperature 293 . K 15288 1 stop_ save_ ############################ # Computer software used # ############################ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 15288 _Software.ID 1 _Software.Name AutoStruct _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Huang, Tejero, Powers and Montelione' . . 15288 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15288 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15288 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 15288 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15288 2 stop_ save_ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 15288 _Software.ID 3 _Software.Name FELIX _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 15288 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15288 3 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 15288 _Software.ID 4 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 15288 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15288 4 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 15288 _Software.ID 5 _Software.Name PSVS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya and Montelione' . . 15288 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure evaluation' 15288 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15288 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15288 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 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 15288 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 15288 1 2 spectrometer_2 Varian INOVA . 750 . . . 15288 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 15288 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15288 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $NC5 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15288 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15288 1 4 '3D HNCACB' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15288 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15288 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15288 1 7 '3D HNHA' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15288 1 8 '3D HNCO' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15288 1 9 '3D CCH-TOCSY' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15288 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15288 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $NC isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15288 1 12 '4D 1H-13C-13C-1H HMQC-NOESY' no . . . . . . . . . . 3 $NC_D2O isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15288 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 15288 _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 . indirect 0.251449530 . . . . . . . . . 15288 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15288 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15288 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 15288 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15288 1 2 '2D 1H-13C HSQC' . . . 15288 1 3 '3D CBCA(CO)NH' . . . 15288 1 4 '3D HNCACB' . . . 15288 1 5 '3D HBHA(CO)NH' . . . 15288 1 6 '3D HCCH-TOCSY' . . . 15288 1 7 '3D HNHA' . . . 15288 1 8 '3D HNCO' . . . 15288 1 9 '3D CCH-TOCSY' . . . 15288 1 10 '3D 1H-15N NOESY' . . . 15288 1 11 '3D 1H-13C NOESY' . . . 15288 1 12 '4D 1H-13C-13C-1H HMQC-NOESY' . . . 15288 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HB2 H 1 2.13 0.02 . 2 . . . . 1 MET HB2 . 15288 1 2 . 1 1 1 1 MET HB3 H 1 2.16 0.02 . 2 . . . . 1 MET HB3 . 15288 1 3 . 1 1 1 1 MET HE1 H 1 2.07 0.02 . 1 . . . . 1 MET HE . 15288 1 4 . 1 1 1 1 MET HE2 H 1 2.07 0.02 . 1 . . . . 1 MET HE . 15288 1 5 . 1 1 1 1 MET HE3 H 1 2.07 0.02 . 1 . . . . 1 MET HE . 15288 1 6 . 1 1 1 1 MET HG2 H 1 2.54 0.02 . 2 . . . . 1 MET HG2 . 15288 1 7 . 1 1 1 1 MET HG3 H 1 2.56 0.02 . 2 . . . . 1 MET HG3 . 15288 1 8 . 1 1 1 1 MET C C 13 171.9 0.2 . 1 . . . . 1 MET C . 15288 1 9 . 1 1 1 1 MET CA C 13 55.1 0.2 . 1 . . . . 1 MET CA . 15288 1 10 . 1 1 1 1 MET CB C 13 32.7 0.2 . 1 . . . . 1 MET CB . 15288 1 11 . 1 1 1 1 MET CE C 13 16.8 0.2 . 1 . . . . 1 MET CE . 15288 1 12 . 1 1 1 1 MET CG C 13 30.7 0.2 . 1 . . . . 1 MET CG . 15288 1 13 . 1 1 2 2 ASN H H 1 8.93 0.02 . 1 . . . . 2 ASN H . 15288 1 14 . 1 1 2 2 ASN HA H 1 4.75 0.02 . 1 . . . . 2 ASN HA . 15288 1 15 . 1 1 2 2 ASN HB2 H 1 2.75 0.02 . 2 . . . . 2 ASN HB2 . 15288 1 16 . 1 1 2 2 ASN HB3 H 1 2.85 0.02 . 2 . . . . 2 ASN HB3 . 15288 1 17 . 1 1 2 2 ASN HD21 H 1 6.98 0.02 . 2 . . . . 2 ASN HD21 . 15288 1 18 . 1 1 2 2 ASN HD22 H 1 7.65 0.02 . 2 . . . . 2 ASN HD22 . 15288 1 19 . 1 1 2 2 ASN C C 13 174.9 0.2 . 1 . . . . 2 ASN C . 15288 1 20 . 1 1 2 2 ASN CA C 13 53.1 0.2 . 1 . . . . 2 ASN CA . 15288 1 21 . 1 1 2 2 ASN CB C 13 39.0 0.2 . 1 . . . . 2 ASN CB . 15288 1 22 . 1 1 2 2 ASN N N 15 122.7 0.2 . 1 . . . . 2 ASN N . 15288 1 23 . 1 1 2 2 ASN ND2 N 15 113.4 0.2 . 1 . . . . 2 ASN ND2 . 15288 1 24 . 1 1 3 3 LYS H H 1 8.60 0.02 . 1 . . . . 3 LYS H . 15288 1 25 . 1 1 3 3 LYS HA H 1 4.22 0.02 . 1 . . . . 3 LYS HA . 15288 1 26 . 1 1 3 3 LYS HB2 H 1 1.73 0.02 . 2 . . . . 3 LYS HB2 . 15288 1 27 . 1 1 3 3 LYS HB3 H 1 1.82 0.02 . 2 . . . . 3 LYS HB3 . 15288 1 28 . 1 1 3 3 LYS HD2 H 1 1.39 0.02 . 2 . . . . 3 LYS HD2 . 15288 1 29 . 1 1 3 3 LYS HD3 H 1 1.41 0.02 . 2 . . . . 3 LYS HD3 . 15288 1 30 . 1 1 3 3 LYS HE2 H 1 2.97 0.02 . 2 . . . . 3 LYS HE2 . 15288 1 31 . 1 1 3 3 LYS HE3 H 1 3.00 0.02 . 2 . . . . 3 LYS HE3 . 15288 1 32 . 1 1 3 3 LYS HG2 H 1 1.65 0.02 . 2 . . . . 3 LYS HG2 . 15288 1 33 . 1 1 3 3 LYS HG3 H 1 1.67 0.02 . 2 . . . . 3 LYS HG3 . 15288 1 34 . 1 1 3 3 LYS C C 13 176.3 0.2 . 1 . . . . 3 LYS C . 15288 1 35 . 1 1 3 3 LYS CA C 13 57.0 0.2 . 1 . . . . 3 LYS CA . 15288 1 36 . 1 1 3 3 LYS CB C 13 32.7 0.2 . 1 . . . . 3 LYS CB . 15288 1 37 . 1 1 3 3 LYS CD C 13 29.0 0.2 . 1 . . . . 3 LYS CD . 15288 1 38 . 1 1 3 3 LYS CE C 13 42.0 0.2 . 1 . . . . 3 LYS CE . 15288 1 39 . 1 1 3 3 LYS CG C 13 24.6 0.2 . 1 . . . . 3 LYS CG . 15288 1 40 . 1 1 3 3 LYS N N 15 122.9 0.2 . 1 . . . . 3 LYS N . 15288 1 41 . 1 1 4 4 ASN H H 1 8.50 0.02 . 1 . . . . 4 ASN H . 15288 1 42 . 1 1 4 4 ASN HA H 1 4.63 0.02 . 1 . . . . 4 ASN HA . 15288 1 43 . 1 1 4 4 ASN HB2 H 1 2.74 0.02 . 2 . . . . 4 ASN HB2 . 15288 1 44 . 1 1 4 4 ASN HB3 H 1 2.84 0.02 . 2 . . . . 4 ASN HB3 . 15288 1 45 . 1 1 4 4 ASN HD21 H 1 6.97 0.02 . 2 . . . . 4 ASN HD21 . 15288 1 46 . 1 1 4 4 ASN HD22 H 1 7.62 0.02 . 2 . . . . 4 ASN HD22 . 15288 1 47 . 1 1 4 4 ASN C C 13 175.3 0.2 . 1 . . . . 4 ASN C . 15288 1 48 . 1 1 4 4 ASN CA C 13 53.6 0.2 . 1 . . . . 4 ASN CA . 15288 1 49 . 1 1 4 4 ASN CB C 13 38.5 0.2 . 1 . . . . 4 ASN CB . 15288 1 50 . 1 1 4 4 ASN N N 15 119.1 0.2 . 1 . . . . 4 ASN N . 15288 1 51 . 1 1 4 4 ASN ND2 N 15 113.3 0.2 . 1 . . . . 4 ASN ND2 . 15288 1 52 . 1 1 5 5 GLU H H 1 8.23 0.02 . 1 . . . . 5 GLU H . 15288 1 53 . 1 1 5 5 GLU HA H 1 4.26 0.02 . 1 . . . . 5 GLU HA . 15288 1 54 . 1 1 5 5 GLU HB2 H 1 1.93 0.02 . 2 . . . . 5 GLU HB2 . 15288 1 55 . 1 1 5 5 GLU HB3 H 1 2.08 0.02 . 2 . . . . 5 GLU HB3 . 15288 1 56 . 1 1 5 5 GLU HG2 H 1 2.28 0.02 . 2 . . . . 5 GLU HG2 . 15288 1 57 . 1 1 5 5 GLU HG3 H 1 2.30 0.02 . 2 . . . . 5 GLU HG3 . 15288 1 58 . 1 1 5 5 GLU C C 13 176.2 0.2 . 1 . . . . 5 GLU C . 15288 1 59 . 1 1 5 5 GLU CA C 13 56.4 0.2 . 1 . . . . 5 GLU CA . 15288 1 60 . 1 1 5 5 GLU CB C 13 29.6 0.2 . 1 . . . . 5 GLU CB . 15288 1 61 . 1 1 5 5 GLU CG C 13 34.9 0.2 . 1 . . . . 5 GLU CG . 15288 1 62 . 1 1 5 5 GLU N N 15 120.8 0.2 . 1 . . . . 5 GLU N . 15288 1 63 . 1 1 6 6 GLN H H 1 8.35 0.02 . 1 . . . . 6 GLN H . 15288 1 64 . 1 1 6 6 GLN HA H 1 4.29 0.02 . 1 . . . . 6 GLN HA . 15288 1 65 . 1 1 6 6 GLN HB2 H 1 1.96 0.02 . 2 . . . . 6 GLN HB2 . 15288 1 66 . 1 1 6 6 GLN HB3 H 1 2.09 0.02 . 2 . . . . 6 GLN HB3 . 15288 1 67 . 1 1 6 6 GLN HE21 H 1 6.90 0.02 . 2 . . . . 6 GLN HE21 . 15288 1 68 . 1 1 6 6 GLN HE22 H 1 7.56 0.02 . 2 . . . . 6 GLN HE22 . 15288 1 69 . 1 1 6 6 GLN HG2 H 1 2.31 0.02 . 2 . . . . 6 GLN HG2 . 15288 1 70 . 1 1 6 6 GLN HG3 H 1 2.34 0.02 . 2 . . . . 6 GLN HG3 . 15288 1 71 . 1 1 6 6 GLN C C 13 175.7 0.2 . 1 . . . . 6 GLN C . 15288 1 72 . 1 1 6 6 GLN CA C 13 56.0 0.2 . 1 . . . . 6 GLN CA . 15288 1 73 . 1 1 6 6 GLN CB C 13 29.2 0.2 . 1 . . . . 6 GLN CB . 15288 1 74 . 1 1 6 6 GLN CG C 13 33.7 0.2 . 1 . . . . 6 GLN CG . 15288 1 75 . 1 1 6 6 GLN N N 15 120.8 0.2 . 1 . . . . 6 GLN N . 15288 1 76 . 1 1 6 6 GLN NE2 N 15 112.5 0.2 . 1 . . . . 6 GLN NE2 . 15288 1 77 . 1 1 7 7 ASN H H 1 8.44 0.02 . 1 . . . . 7 ASN H . 15288 1 78 . 1 1 7 7 ASN HA H 1 4.67 0.02 . 1 . . . . 7 ASN HA . 15288 1 79 . 1 1 7 7 ASN HB2 H 1 2.74 0.02 . 2 . . . . 7 ASN HB2 . 15288 1 80 . 1 1 7 7 ASN HB3 H 1 2.81 0.02 . 2 . . . . 7 ASN HB3 . 15288 1 81 . 1 1 7 7 ASN HD21 H 1 6.91 0.02 . 2 . . . . 7 ASN HD21 . 15288 1 82 . 1 1 7 7 ASN HD22 H 1 7.60 0.02 . 2 . . . . 7 ASN HD22 . 15288 1 83 . 1 1 7 7 ASN C C 13 175.7 0.2 . 1 . . . . 7 ASN C . 15288 1 84 . 1 1 7 7 ASN CA C 13 53.3 0.2 . 1 . . . . 7 ASN CA . 15288 1 85 . 1 1 7 7 ASN CB C 13 39.0 0.2 . 1 . . . . 7 ASN CB . 15288 1 86 . 1 1 7 7 ASN N N 15 119.6 0.2 . 1 . . . . 7 ASN N . 15288 1 87 . 1 1 7 7 ASN ND2 N 15 113.0 0.2 . 1 . . . . 7 ASN ND2 . 15288 1 88 . 1 1 8 8 GLY H H 1 8.37 0.02 . 1 . . . . 8 GLY H . 15288 1 89 . 1 1 8 8 GLY HA2 H 1 3.90 0.02 . 2 . . . . 8 GLY HA2 . 15288 1 90 . 1 1 8 8 GLY HA3 H 1 3.92 0.02 . 2 . . . . 8 GLY HA3 . 15288 1 91 . 1 1 8 8 GLY C C 13 174.0 0.2 . 1 . . . . 8 GLY C . 15288 1 92 . 1 1 8 8 GLY CA C 13 45.4 0.2 . 1 . . . . 8 GLY CA . 15288 1 93 . 1 1 8 8 GLY N N 15 109.5 0.2 . 1 . . . . 8 GLY N . 15288 1 94 . 1 1 9 9 ASP H H 1 8.23 0.02 . 1 . . . . 9 ASP H . 15288 1 95 . 1 1 9 9 ASP HA H 1 4.54 0.02 . 1 . . . . 9 ASP HA . 15288 1 96 . 1 1 9 9 ASP HB2 H 1 2.64 0.02 . 2 . . . . 9 ASP HB2 . 15288 1 97 . 1 1 9 9 ASP HB3 H 1 2.72 0.02 . 2 . . . . 9 ASP HB3 . 15288 1 98 . 1 1 9 9 ASP C C 13 176.7 0.2 . 1 . . . . 9 ASP C . 15288 1 99 . 1 1 9 9 ASP CA C 13 54.2 0.2 . 1 . . . . 9 ASP CA . 15288 1 100 . 1 1 9 9 ASP CB C 13 40.6 0.2 . 1 . . . . 9 ASP CB . 15288 1 101 . 1 1 9 9 ASP N N 15 120.1 0.2 . 1 . . . . 9 ASP N . 15288 1 102 . 1 1 10 10 GLU H H 1 8.57 0.02 . 1 . . . . 10 GLU H . 15288 1 103 . 1 1 10 10 GLU HA H 1 4.19 0.02 . 1 . . . . 10 GLU HA . 15288 1 104 . 1 1 10 10 GLU HB2 H 1 1.88 0.02 . 1 . . . . 10 GLU HB2 . 15288 1 105 . 1 1 10 10 GLU HB3 H 1 2.02 0.02 . 1 . . . . 10 GLU HB3 . 15288 1 106 . 1 1 10 10 GLU HG2 H 1 2.17 0.02 . 1 . . . . 10 GLU HG2 . 15288 1 107 . 1 1 10 10 GLU HG3 H 1 2.25 0.02 . 1 . . . . 10 GLU HG3 . 15288 1 108 . 1 1 10 10 GLU C C 13 176.8 0.2 . 1 . . . . 10 GLU C . 15288 1 109 . 1 1 10 10 GLU CA C 13 57.0 0.2 . 1 . . . . 10 GLU CA . 15288 1 110 . 1 1 10 10 GLU CB C 13 29.0 0.2 . 1 . . . . 10 GLU CB . 15288 1 111 . 1 1 10 10 GLU CG C 13 34.8 0.2 . 1 . . . . 10 GLU CG . 15288 1 112 . 1 1 10 10 GLU N N 15 121.7 0.2 . 1 . . . . 10 GLU N . 15288 1 113 . 1 1 11 11 THR H H 1 8.14 0.02 . 1 . . . . 11 THR H . 15288 1 114 . 1 1 11 11 THR HA H 1 4.23 0.02 . 1 . . . . 11 THR HA . 15288 1 115 . 1 1 11 11 THR HB H 1 4.20 0.02 . 1 . . . . 11 THR HB . 15288 1 116 . 1 1 11 11 THR HG21 H 1 1.17 0.02 . 1 . . . . 11 THR HG2 . 15288 1 117 . 1 1 11 11 THR HG22 H 1 1.17 0.02 . 1 . . . . 11 THR HG2 . 15288 1 118 . 1 1 11 11 THR HG23 H 1 1.17 0.02 . 1 . . . . 11 THR HG2 . 15288 1 119 . 1 1 11 11 THR C C 13 174.8 0.2 . 1 . . . . 11 THR C . 15288 1 120 . 1 1 11 11 THR CA C 13 62.5 0.2 . 1 . . . . 11 THR CA . 15288 1 121 . 1 1 11 11 THR CB C 13 69.5 0.2 . 1 . . . . 11 THR CB . 15288 1 122 . 1 1 11 11 THR CG2 C 13 21.5 0.2 . 1 . . . . 11 THR CG2 . 15288 1 123 . 1 1 11 11 THR N N 15 113.1 0.2 . 1 . . . . 11 THR N . 15288 1 124 . 1 1 12 12 LYS H H 1 8.05 0.02 . 1 . . . . 12 LYS H . 15288 1 125 . 1 1 12 12 LYS HA H 1 4.33 0.02 . 1 . . . . 12 LYS HA . 15288 1 126 . 1 1 12 12 LYS HB2 H 1 1.79 0.02 . 2 . . . . 12 LYS HB2 . 15288 1 127 . 1 1 12 12 LYS HB3 H 1 1.90 0.02 . 2 . . . . 12 LYS HB3 . 15288 1 128 . 1 1 12 12 LYS HD2 H 1 1.40 0.02 . 2 . . . . 12 LYS HD2 . 15288 1 129 . 1 1 12 12 LYS HD3 H 1 1.43 0.02 . 2 . . . . 12 LYS HD3 . 15288 1 130 . 1 1 12 12 LYS HE2 H 1 2.97 0.02 . 2 . . . . 12 LYS HE2 . 15288 1 131 . 1 1 12 12 LYS HE3 H 1 2.99 0.02 . 2 . . . . 12 LYS HE3 . 15288 1 132 . 1 1 12 12 LYS HG2 H 1 1.79 0.02 . 2 . . . . 12 LYS HG2 . 15288 1 133 . 1 1 12 12 LYS HG3 H 1 1.91 0.02 . 2 . . . . 12 LYS HG3 . 15288 1 134 . 1 1 12 12 LYS C C 13 176.3 0.2 . 1 . . . . 12 LYS C . 15288 1 135 . 1 1 12 12 LYS CA C 13 56.1 0.2 . 1 . . . . 12 LYS CA . 15288 1 136 . 1 1 12 12 LYS CB C 13 32.7 0.2 . 1 . . . . 12 LYS CB . 15288 1 137 . 1 1 12 12 LYS CD C 13 28.9 0.2 . 1 . . . . 12 LYS CD . 15288 1 138 . 1 1 12 12 LYS CE C 13 42.1 0.2 . 1 . . . . 12 LYS CE . 15288 1 139 . 1 1 12 12 LYS CG C 13 24.7 0.2 . 1 . . . . 12 LYS CG . 15288 1 140 . 1 1 12 12 LYS N N 15 122.6 0.2 . 1 . . . . 12 LYS N . 15288 1 141 . 1 1 13 13 MET H H 1 8.24 0.02 . 1 . . . . 13 MET H . 15288 1 142 . 1 1 13 13 MET HA H 1 4.48 0.02 . 1 . . . . 13 MET HA . 15288 1 143 . 1 1 13 13 MET HB2 H 1 1.99 0.02 . 2 . . . . 13 MET HB2 . 15288 1 144 . 1 1 13 13 MET HB3 H 1 2.03 0.02 . 2 . . . . 13 MET HB3 . 15288 1 145 . 1 1 13 13 MET HE1 H 1 1.80 0.02 . 1 . . . . 13 MET HE . 15288 1 146 . 1 1 13 13 MET HE2 H 1 1.80 0.02 . 1 . . . . 13 MET HE . 15288 1 147 . 1 1 13 13 MET HE3 H 1 1.80 0.02 . 1 . . . . 13 MET HE . 15288 1 148 . 1 1 13 13 MET HG2 H 1 2.04 0.02 . 2 . . . . 13 MET HG2 . 15288 1 149 . 1 1 13 13 MET HG3 H 1 2.48 0.02 . 2 . . . . 13 MET HG3 . 15288 1 150 . 1 1 13 13 MET C C 13 175.5 0.2 . 1 . . . . 13 MET C . 15288 1 151 . 1 1 13 13 MET CA C 13 55.5 0.2 . 1 . . . . 13 MET CA . 15288 1 152 . 1 1 13 13 MET CB C 13 34.9 0.2 . 1 . . . . 13 MET CB . 15288 1 153 . 1 1 13 13 MET CE C 13 17.1 0.2 . 1 . . . . 13 MET CE . 15288 1 154 . 1 1 13 13 MET CG C 13 32.6 0.2 . 1 . . . . 13 MET CG . 15288 1 155 . 1 1 13 13 MET N N 15 121.3 0.2 . 1 . . . . 13 MET N . 15288 1 156 . 1 1 14 14 GLN H H 1 8.27 0.02 . 1 . . . . 14 GLN H . 15288 1 157 . 1 1 14 14 GLN HA H 1 4.30 0.02 . 1 . . . . 14 GLN HA . 15288 1 158 . 1 1 14 14 GLN HB2 H 1 0.97 0.02 . 2 . . . . 14 GLN HB2 . 15288 1 159 . 1 1 14 14 GLN HB3 H 1 1.61 0.02 . 2 . . . . 14 GLN HB3 . 15288 1 160 . 1 1 14 14 GLN HE21 H 1 7.00 0.02 . 2 . . . . 14 GLN HE21 . 15288 1 161 . 1 1 14 14 GLN HE22 H 1 7.37 0.02 . 2 . . . . 14 GLN HE22 . 15288 1 162 . 1 1 14 14 GLN HG2 H 1 2.08 0.02 . 2 . . . . 14 GLN HG2 . 15288 1 163 . 1 1 14 14 GLN HG3 H 1 2.12 0.02 . 2 . . . . 14 GLN HG3 . 15288 1 164 . 1 1 14 14 GLN C C 13 173.3 0.2 . 1 . . . . 14 GLN C . 15288 1 165 . 1 1 14 14 GLN CA C 13 54.8 0.2 . 1 . . . . 14 GLN CA . 15288 1 166 . 1 1 14 14 GLN CB C 13 31.8 0.2 . 1 . . . . 14 GLN CB . 15288 1 167 . 1 1 14 14 GLN CG C 13 34.2 0.2 . 1 . . . . 14 GLN CG . 15288 1 168 . 1 1 14 14 GLN N N 15 122.1 0.2 . 1 . . . . 14 GLN N . 15288 1 169 . 1 1 14 14 GLN NE2 N 15 112.6 0.2 . 1 . . . . 14 GLN NE2 . 15288 1 170 . 1 1 15 15 SER H H 1 7.90 0.02 . 1 . . . . 15 SER H . 15288 1 171 . 1 1 15 15 SER HA H 1 5.27 0.02 . 1 . . . . 15 SER HA . 15288 1 172 . 1 1 15 15 SER HB2 H 1 2.48 0.02 . 2 . . . . 15 SER HB2 . 15288 1 173 . 1 1 15 15 SER HB3 H 1 2.69 0.02 . 2 . . . . 15 SER HB3 . 15288 1 174 . 1 1 15 15 SER C C 13 174.0 0.2 . 1 . . . . 15 SER C . 15288 1 175 . 1 1 15 15 SER CA C 13 56.0 0.2 . 1 . . . . 15 SER CA . 15288 1 176 . 1 1 15 15 SER CB C 13 66.6 0.2 . 1 . . . . 15 SER CB . 15288 1 177 . 1 1 15 15 SER N N 15 110.6 0.2 . 1 . . . . 15 SER N . 15288 1 178 . 1 1 16 16 LEU H H 1 8.00 0.02 . 1 . . . . 16 LEU H . 15288 1 179 . 1 1 16 16 LEU HA H 1 4.54 0.02 . 1 . . . . 16 LEU HA . 15288 1 180 . 1 1 16 16 LEU HB2 H 1 1.48 0.02 . 2 . . . . 16 LEU HB2 . 15288 1 181 . 1 1 16 16 LEU HB3 H 1 1.52 0.02 . 2 . . . . 16 LEU HB3 . 15288 1 182 . 1 1 16 16 LEU HD11 H 1 0.64 0.02 . 1 . . . . 16 LEU HD1 . 15288 1 183 . 1 1 16 16 LEU HD12 H 1 0.64 0.02 . 1 . . . . 16 LEU HD1 . 15288 1 184 . 1 1 16 16 LEU HD13 H 1 0.64 0.02 . 1 . . . . 16 LEU HD1 . 15288 1 185 . 1 1 16 16 LEU HD21 H 1 0.79 0.02 . 1 . . . . 16 LEU HD2 . 15288 1 186 . 1 1 16 16 LEU HD22 H 1 0.79 0.02 . 1 . . . . 16 LEU HD2 . 15288 1 187 . 1 1 16 16 LEU HD23 H 1 0.79 0.02 . 1 . . . . 16 LEU HD2 . 15288 1 188 . 1 1 16 16 LEU HG H 1 1.54 0.02 . 1 . . . . 16 LEU HG . 15288 1 189 . 1 1 16 16 LEU C C 13 173.8 0.2 . 1 . . . . 16 LEU C . 15288 1 190 . 1 1 16 16 LEU CA C 13 54.3 0.2 . 1 . . . . 16 LEU CA . 15288 1 191 . 1 1 16 16 LEU CB C 13 46.6 0.2 . 1 . . . . 16 LEU CB . 15288 1 192 . 1 1 16 16 LEU CD1 C 13 25.3 0.2 . 1 . . . . 16 LEU CD1 . 15288 1 193 . 1 1 16 16 LEU CD2 C 13 25.8 0.2 . 1 . . . . 16 LEU CD2 . 15288 1 194 . 1 1 16 16 LEU CG C 13 26.3 0.2 . 1 . . . . 16 LEU CG . 15288 1 195 . 1 1 16 16 LEU N N 15 118.1 0.2 . 1 . . . . 16 LEU N . 15288 1 196 . 1 1 17 17 VAL H H 1 8.02 0.02 . 1 . . . . 17 VAL H . 15288 1 197 . 1 1 17 17 VAL HA H 1 5.06 0.02 . 1 . . . . 17 VAL HA . 15288 1 198 . 1 1 17 17 VAL HB H 1 1.65 0.02 . 1 . . . . 17 VAL HB . 15288 1 199 . 1 1 17 17 VAL HG11 H 1 0.62 0.02 . 1 . . . . 17 VAL HG1 . 15288 1 200 . 1 1 17 17 VAL HG12 H 1 0.62 0.02 . 1 . . . . 17 VAL HG1 . 15288 1 201 . 1 1 17 17 VAL HG13 H 1 0.62 0.02 . 1 . . . . 17 VAL HG1 . 15288 1 202 . 1 1 17 17 VAL HG21 H 1 0.74 0.02 . 1 . . . . 17 VAL HG2 . 15288 1 203 . 1 1 17 17 VAL HG22 H 1 0.74 0.02 . 1 . . . . 17 VAL HG2 . 15288 1 204 . 1 1 17 17 VAL HG23 H 1 0.74 0.02 . 1 . . . . 17 VAL HG2 . 15288 1 205 . 1 1 17 17 VAL C C 13 175.9 0.2 . 1 . . . . 17 VAL C . 15288 1 206 . 1 1 17 17 VAL CA C 13 59.8 0.2 . 1 . . . . 17 VAL CA . 15288 1 207 . 1 1 17 17 VAL CB C 13 34.4 0.2 . 1 . . . . 17 VAL CB . 15288 1 208 . 1 1 17 17 VAL CG1 C 13 21.2 0.2 . 1 . . . . 17 VAL CG1 . 15288 1 209 . 1 1 17 17 VAL CG2 C 13 21.5 0.2 . 1 . . . . 17 VAL CG2 . 15288 1 210 . 1 1 17 17 VAL N N 15 120.9 0.2 . 1 . . . . 17 VAL N . 15288 1 211 . 1 1 18 18 GLY H H 1 8.63 0.02 . 1 . . . . 18 GLY H . 15288 1 212 . 1 1 18 18 GLY HA2 H 1 3.61 0.02 . 2 . . . . 18 GLY HA2 . 15288 1 213 . 1 1 18 18 GLY HA3 H 1 4.29 0.02 . 2 . . . . 18 GLY HA3 . 15288 1 214 . 1 1 18 18 GLY C C 13 170.1 0.2 . 1 . . . . 18 GLY C . 15288 1 215 . 1 1 18 18 GLY CA C 13 45.9 0.2 . 1 . . . . 18 GLY CA . 15288 1 216 . 1 1 18 18 GLY N N 15 110.5 0.2 . 1 . . . . 18 GLY N . 15288 1 217 . 1 1 19 19 TYR H H 1 8.78 0.02 . 1 . . . . 19 TYR H . 15288 1 218 . 1 1 19 19 TYR HA H 1 5.17 0.02 . 1 . . . . 19 TYR HA . 15288 1 219 . 1 1 19 19 TYR HB2 H 1 2.52 0.02 . 2 . . . . 19 TYR HB2 . 15288 1 220 . 1 1 19 19 TYR HB3 H 1 2.61 0.02 . 2 . . . . 19 TYR HB3 . 15288 1 221 . 1 1 19 19 TYR HD1 H 1 6.97 0.02 . 3 . . . . 19 TYR HD1 . 15288 1 222 . 1 1 19 19 TYR HE1 H 1 6.81 0.02 . 3 . . . . 19 TYR HE1 . 15288 1 223 . 1 1 19 19 TYR C C 13 176.6 0.2 . 1 . . . . 19 TYR C . 15288 1 224 . 1 1 19 19 TYR CA C 13 56.8 0.2 . 1 . . . . 19 TYR CA . 15288 1 225 . 1 1 19 19 TYR CB C 13 41.3 0.2 . 1 . . . . 19 TYR CB . 15288 1 226 . 1 1 19 19 TYR CD1 C 13 133.4 0.2 . 3 . . . . 19 TYR CD1 . 15288 1 227 . 1 1 19 19 TYR CE1 C 13 118.3 0.2 . 3 . . . . 19 TYR CE1 . 15288 1 228 . 1 1 19 19 TYR N N 15 116.7 0.2 . 1 . . . . 19 TYR N . 15288 1 229 . 1 1 20 20 VAL H H 1 8.90 0.02 . 1 . . . . 20 VAL H . 15288 1 230 . 1 1 20 20 VAL HA H 1 3.98 0.02 . 1 . . . . 20 VAL HA . 15288 1 231 . 1 1 20 20 VAL HB H 1 2.34 0.02 . 1 . . . . 20 VAL HB . 15288 1 232 . 1 1 20 20 VAL HG11 H 1 0.54 0.02 . 1 . . . . 20 VAL HG1 . 15288 1 233 . 1 1 20 20 VAL HG12 H 1 0.54 0.02 . 1 . . . . 20 VAL HG1 . 15288 1 234 . 1 1 20 20 VAL HG13 H 1 0.54 0.02 . 1 . . . . 20 VAL HG1 . 15288 1 235 . 1 1 20 20 VAL HG21 H 1 0.76 0.02 . 1 . . . . 20 VAL HG2 . 15288 1 236 . 1 1 20 20 VAL HG22 H 1 0.76 0.02 . 1 . . . . 20 VAL HG2 . 15288 1 237 . 1 1 20 20 VAL HG23 H 1 0.76 0.02 . 1 . . . . 20 VAL HG2 . 15288 1 238 . 1 1 20 20 VAL C C 13 176.2 0.2 . 1 . . . . 20 VAL C . 15288 1 239 . 1 1 20 20 VAL CA C 13 62.8 0.2 . 1 . . . . 20 VAL CA . 15288 1 240 . 1 1 20 20 VAL CB C 13 31.7 0.2 . 1 . . . . 20 VAL CB . 15288 1 241 . 1 1 20 20 VAL CG1 C 13 21.8 0.2 . 1 . . . . 20 VAL CG1 . 15288 1 242 . 1 1 20 20 VAL CG2 C 13 21.7 0.2 . 1 . . . . 20 VAL CG2 . 15288 1 243 . 1 1 20 20 VAL N N 15 122.2 0.2 . 1 . . . . 20 VAL N . 15288 1 244 . 1 1 21 21 VAL H H 1 8.90 0.02 . 1 . . . . 21 VAL H . 15288 1 245 . 1 1 21 21 VAL HA H 1 4.79 0.02 . 1 . . . . 21 VAL HA . 15288 1 246 . 1 1 21 21 VAL HB H 1 1.85 0.02 . 1 . . . . 21 VAL HB . 15288 1 247 . 1 1 21 21 VAL HG11 H 1 0.73 0.02 . 2 . . . . 21 VAL HG1 . 15288 1 248 . 1 1 21 21 VAL HG12 H 1 0.73 0.02 . 2 . . . . 21 VAL HG1 . 15288 1 249 . 1 1 21 21 VAL HG13 H 1 0.73 0.02 . 2 . . . . 21 VAL HG1 . 15288 1 250 . 1 1 21 21 VAL HG21 H 1 0.73 0.02 . 2 . . . . 21 VAL HG2 . 15288 1 251 . 1 1 21 21 VAL HG22 H 1 0.73 0.02 . 2 . . . . 21 VAL HG2 . 15288 1 252 . 1 1 21 21 VAL HG23 H 1 0.73 0.02 . 2 . . . . 21 VAL HG2 . 15288 1 253 . 1 1 21 21 VAL C C 13 173.4 0.2 . 1 . . . . 21 VAL C . 15288 1 254 . 1 1 21 21 VAL CA C 13 61.8 0.2 . 1 . . . . 21 VAL CA . 15288 1 255 . 1 1 21 21 VAL CB C 13 33.7 0.2 . 1 . . . . 21 VAL CB . 15288 1 256 . 1 1 21 21 VAL CG1 C 13 21.5 0.2 . 2 . . . . 21 VAL CG1 . 15288 1 257 . 1 1 21 21 VAL CG2 C 13 21.6 0.2 . 2 . . . . 21 VAL CG2 . 15288 1 258 . 1 1 21 21 VAL N N 15 125.3 0.2 . 1 . . . . 21 VAL N . 15288 1 259 . 1 1 22 22 LEU H H 1 7.13 0.02 . 1 . . . . 22 LEU H . 15288 1 260 . 1 1 22 22 LEU HA H 1 4.51 0.02 . 1 . . . . 22 LEU HA . 15288 1 261 . 1 1 22 22 LEU HB2 H 1 1.34 0.02 . 1 . . . . 22 LEU HB2 . 15288 1 262 . 1 1 22 22 LEU HB3 H 1 1.61 0.02 . 1 . . . . 22 LEU HB3 . 15288 1 263 . 1 1 22 22 LEU HD11 H 1 0.89 0.02 . 1 . . . . 22 LEU HD1 . 15288 1 264 . 1 1 22 22 LEU HD12 H 1 0.89 0.02 . 1 . . . . 22 LEU HD1 . 15288 1 265 . 1 1 22 22 LEU HD13 H 1 0.89 0.02 . 1 . . . . 22 LEU HD1 . 15288 1 266 . 1 1 22 22 LEU HD21 H 1 0.82 0.02 . 1 . . . . 22 LEU HD2 . 15288 1 267 . 1 1 22 22 LEU HD22 H 1 0.82 0.02 . 1 . . . . 22 LEU HD2 . 15288 1 268 . 1 1 22 22 LEU HD23 H 1 0.82 0.02 . 1 . . . . 22 LEU HD2 . 15288 1 269 . 1 1 22 22 LEU HG H 1 1.57 0.02 . 1 . . . . 22 LEU HG . 15288 1 270 . 1 1 22 22 LEU C C 13 174.5 0.2 . 1 . . . . 22 LEU C . 15288 1 271 . 1 1 22 22 LEU CA C 13 55.3 0.2 . 1 . . . . 22 LEU CA . 15288 1 272 . 1 1 22 22 LEU CB C 13 45.9 0.2 . 1 . . . . 22 LEU CB . 15288 1 273 . 1 1 22 22 LEU CD1 C 13 25.5 0.2 . 1 . . . . 22 LEU CD1 . 15288 1 274 . 1 1 22 22 LEU CD2 C 13 24.2 0.2 . 1 . . . . 22 LEU CD2 . 15288 1 275 . 1 1 22 22 LEU CG C 13 27.4 0.2 . 1 . . . . 22 LEU CG . 15288 1 276 . 1 1 22 22 LEU N N 15 120.3 0.2 . 1 . . . . 22 LEU N . 15288 1 277 . 1 1 23 23 LYS H H 1 8.85 0.02 . 1 . . . . 23 LYS H . 15288 1 278 . 1 1 23 23 LYS HA H 1 4.79 0.02 . 1 . . . . 23 LYS HA . 15288 1 279 . 1 1 23 23 LYS HB2 H 1 1.50 0.02 . 2 . . . . 23 LYS HB2 . 15288 1 280 . 1 1 23 23 LYS HB3 H 1 1.56 0.02 . 2 . . . . 23 LYS HB3 . 15288 1 281 . 1 1 23 23 LYS HD2 H 1 1.31 0.02 . 2 . . . . 23 LYS HD2 . 15288 1 282 . 1 1 23 23 LYS HD3 H 1 1.50 0.02 . 2 . . . . 23 LYS HD3 . 15288 1 283 . 1 1 23 23 LYS HE2 H 1 2.76 0.02 . 2 . . . . 23 LYS HE2 . 15288 1 284 . 1 1 23 23 LYS HE3 H 1 2.83 0.02 . 2 . . . . 23 LYS HE3 . 15288 1 285 . 1 1 23 23 LYS HG2 H 1 1.18 0.02 . 2 . . . . 23 LYS HG2 . 15288 1 286 . 1 1 23 23 LYS HG3 H 1 1.35 0.02 . 2 . . . . 23 LYS HG3 . 15288 1 287 . 1 1 23 23 LYS C C 13 173.7 0.2 . 1 . . . . 23 LYS C . 15288 1 288 . 1 1 23 23 LYS CA C 13 56.8 0.2 . 1 . . . . 23 LYS CA . 15288 1 289 . 1 1 23 23 LYS CB C 13 34.8 0.2 . 1 . . . . 23 LYS CB . 15288 1 290 . 1 1 23 23 LYS CD C 13 29.7 0.2 . 1 . . . . 23 LYS CD . 15288 1 291 . 1 1 23 23 LYS CE C 13 42.4 0.2 . 1 . . . . 23 LYS CE . 15288 1 292 . 1 1 23 23 LYS CG C 13 24.4 0.2 . 1 . . . . 23 LYS CG . 15288 1 293 . 1 1 23 23 LYS N N 15 125.7 0.2 . 1 . . . . 23 LYS N . 15288 1 294 . 1 1 24 24 ASP H H 1 9.01 0.02 . 1 . . . . 24 ASP H . 15288 1 295 . 1 1 24 24 ASP HA H 1 4.75 0.02 . 1 . . . . 24 ASP HA . 15288 1 296 . 1 1 24 24 ASP HB2 H 1 2.74 0.02 . 1 . . . . 24 ASP HB2 . 15288 1 297 . 1 1 24 24 ASP HB3 H 1 3.13 0.02 . 1 . . . . 24 ASP HB3 . 15288 1 298 . 1 1 24 24 ASP C C 13 174.4 0.2 . 1 . . . . 24 ASP C . 15288 1 299 . 1 1 24 24 ASP CA C 13 52.9 0.2 . 1 . . . . 24 ASP CA . 15288 1 300 . 1 1 24 24 ASP CB C 13 41.3 0.2 . 1 . . . . 24 ASP CB . 15288 1 301 . 1 1 24 24 ASP N N 15 128.5 0.2 . 1 . . . . 24 ASP N . 15288 1 302 . 1 1 25 25 ASN H H 1 8.33 0.02 . 1 . . . . 25 ASN H . 15288 1 303 . 1 1 25 25 ASN HA H 1 4.28 0.02 . 1 . . . . 25 ASN HA . 15288 1 304 . 1 1 25 25 ASN HB2 H 1 2.76 0.02 . 2 . . . . 25 ASN HB2 . 15288 1 305 . 1 1 25 25 ASN HB3 H 1 2.81 0.02 . 2 . . . . 25 ASN HB3 . 15288 1 306 . 1 1 25 25 ASN HD21 H 1 6.98 0.02 . 2 . . . . 25 ASN HD21 . 15288 1 307 . 1 1 25 25 ASN HD22 H 1 7.66 0.02 . 2 . . . . 25 ASN HD22 . 15288 1 308 . 1 1 25 25 ASN C C 13 176.1 0.2 . 1 . . . . 25 ASN C . 15288 1 309 . 1 1 25 25 ASN CA C 13 55.8 0.2 . 1 . . . . 25 ASN CA . 15288 1 310 . 1 1 25 25 ASN CB C 13 37.9 0.2 . 1 . . . . 25 ASN CB . 15288 1 311 . 1 1 25 25 ASN N N 15 113.1 0.2 . 1 . . . . 25 ASN N . 15288 1 312 . 1 1 25 25 ASN ND2 N 15 113.3 0.2 . 1 . . . . 25 ASN ND2 . 15288 1 313 . 1 1 26 26 GLU H H 1 8.60 0.02 . 1 . . . . 26 GLU H . 15288 1 314 . 1 1 26 26 GLU HA H 1 4.36 0.02 . 1 . . . . 26 GLU HA . 15288 1 315 . 1 1 26 26 GLU HB2 H 1 2.01 0.02 . 2 . . . . 26 GLU HB2 . 15288 1 316 . 1 1 26 26 GLU HB3 H 1 2.09 0.02 . 2 . . . . 26 GLU HB3 . 15288 1 317 . 1 1 26 26 GLU HG2 H 1 2.27 0.02 . 2 . . . . 26 GLU HG2 . 15288 1 318 . 1 1 26 26 GLU HG3 H 1 2.29 0.02 . 2 . . . . 26 GLU HG3 . 15288 1 319 . 1 1 26 26 GLU C C 13 176.4 0.2 . 1 . . . . 26 GLU C . 15288 1 320 . 1 1 26 26 GLU CA C 13 57.0 0.2 . 1 . . . . 26 GLU CA . 15288 1 321 . 1 1 26 26 GLU CB C 13 30.5 0.2 . 1 . . . . 26 GLU CB . 15288 1 322 . 1 1 26 26 GLU CG C 13 34.7 0.2 . 1 . . . . 26 GLU CG . 15288 1 323 . 1 1 26 26 GLU N N 15 116.2 0.2 . 1 . . . . 26 GLU N . 15288 1 324 . 1 1 27 27 ARG H H 1 8.58 0.02 . 1 . . . . 27 ARG H . 15288 1 325 . 1 1 27 27 ARG HA H 1 5.40 0.02 . 1 . . . . 27 ARG HA . 15288 1 326 . 1 1 27 27 ARG HB2 H 1 1.52 0.02 . 2 . . . . 27 ARG HB2 . 15288 1 327 . 1 1 27 27 ARG HB3 H 1 1.75 0.02 . 2 . . . . 27 ARG HB3 . 15288 1 328 . 1 1 27 27 ARG HD2 H 1 2.78 0.02 . 2 . . . . 27 ARG HD2 . 15288 1 329 . 1 1 27 27 ARG HD3 H 1 2.95 0.02 . 2 . . . . 27 ARG HD3 . 15288 1 330 . 1 1 27 27 ARG HE H 1 7.48 0.02 . 1 . . . . 27 ARG HE . 15288 1 331 . 1 1 27 27 ARG HG2 H 1 1.37 0.02 . 2 . . . . 27 ARG HG2 . 15288 1 332 . 1 1 27 27 ARG HG3 H 1 1.62 0.02 . 2 . . . . 27 ARG HG3 . 15288 1 333 . 1 1 27 27 ARG C C 13 173.4 0.2 . 1 . . . . 27 ARG C . 15288 1 334 . 1 1 27 27 ARG CA C 13 54.6 0.2 . 1 . . . . 27 ARG CA . 15288 1 335 . 1 1 27 27 ARG CB C 13 33.0 0.2 . 1 . . . . 27 ARG CB . 15288 1 336 . 1 1 27 27 ARG CD C 13 43.8 0.2 . 1 . . . . 27 ARG CD . 15288 1 337 . 1 1 27 27 ARG CG C 13 25.8 0.2 . 1 . . . . 27 ARG CG . 15288 1 338 . 1 1 27 27 ARG N N 15 121.1 0.2 . 1 . . . . 27 ARG N . 15288 1 339 . 1 1 27 27 ARG NE N 15 85.9 0.2 . 1 . . . . 27 ARG NE . 15288 1 340 . 1 1 28 28 ALA H H 1 9.09 0.02 . 1 . . . . 28 ALA H . 15288 1 341 . 1 1 28 28 ALA HA H 1 5.17 0.02 . 1 . . . . 28 ALA HA . 15288 1 342 . 1 1 28 28 ALA HB1 H 1 1.14 0.02 . 1 . . . . 28 ALA HB . 15288 1 343 . 1 1 28 28 ALA HB2 H 1 1.14 0.02 . 1 . . . . 28 ALA HB . 15288 1 344 . 1 1 28 28 ALA HB3 H 1 1.14 0.02 . 1 . . . . 28 ALA HB . 15288 1 345 . 1 1 28 28 ALA C C 13 174.7 0.2 . 1 . . . . 28 ALA C . 15288 1 346 . 1 1 28 28 ALA CA C 13 50.0 0.2 . 1 . . . . 28 ALA CA . 15288 1 347 . 1 1 28 28 ALA CB C 13 21.5 0.2 . 1 . . . . 28 ALA CB . 15288 1 348 . 1 1 28 28 ALA N N 15 120.7 0.2 . 1 . . . . 28 ALA N . 15288 1 349 . 1 1 29 29 ILE H H 1 8.80 0.02 . 1 . . . . 29 ILE H . 15288 1 350 . 1 1 29 29 ILE HA H 1 4.47 0.02 . 1 . . . . 29 ILE HA . 15288 1 351 . 1 1 29 29 ILE HB H 1 1.68 0.02 . 1 . . . . 29 ILE HB . 15288 1 352 . 1 1 29 29 ILE HD11 H 1 0.71 0.02 . 1 . . . . 29 ILE HD1 . 15288 1 353 . 1 1 29 29 ILE HD12 H 1 0.71 0.02 . 1 . . . . 29 ILE HD1 . 15288 1 354 . 1 1 29 29 ILE HD13 H 1 0.71 0.02 . 1 . . . . 29 ILE HD1 . 15288 1 355 . 1 1 29 29 ILE HG12 H 1 0.94 0.02 . 2 . . . . 29 ILE HG12 . 15288 1 356 . 1 1 29 29 ILE HG13 H 1 1.43 0.02 . 2 . . . . 29 ILE HG13 . 15288 1 357 . 1 1 29 29 ILE HG21 H 1 0.70 0.02 . 1 . . . . 29 ILE HG2 . 15288 1 358 . 1 1 29 29 ILE HG22 H 1 0.70 0.02 . 1 . . . . 29 ILE HG2 . 15288 1 359 . 1 1 29 29 ILE HG23 H 1 0.70 0.02 . 1 . . . . 29 ILE HG2 . 15288 1 360 . 1 1 29 29 ILE C C 13 174.1 0.2 . 1 . . . . 29 ILE C . 15288 1 361 . 1 1 29 29 ILE CA C 13 61.3 0.2 . 1 . . . . 29 ILE CA . 15288 1 362 . 1 1 29 29 ILE CB C 13 37.9 0.2 . 1 . . . . 29 ILE CB . 15288 1 363 . 1 1 29 29 ILE CD1 C 13 12.7 0.2 . 1 . . . . 29 ILE CD1 . 15288 1 364 . 1 1 29 29 ILE CG1 C 13 27.3 0.2 . 1 . . . . 29 ILE CG1 . 15288 1 365 . 1 1 29 29 ILE CG2 C 13 17.7 0.2 . 1 . . . . 29 ILE CG2 . 15288 1 366 . 1 1 29 29 ILE N N 15 120.4 0.2 . 1 . . . . 29 ILE N . 15288 1 367 . 1 1 30 30 LEU H H 1 9.04 0.02 . 1 . . . . 30 LEU H . 15288 1 368 . 1 1 30 30 LEU HA H 1 5.28 0.02 . 1 . . . . 30 LEU HA . 15288 1 369 . 1 1 30 30 LEU HB2 H 1 1.12 0.02 . 2 . . . . 30 LEU HB2 . 15288 1 370 . 1 1 30 30 LEU HB3 H 1 1.37 0.02 . 2 . . . . 30 LEU HB3 . 15288 1 371 . 1 1 30 30 LEU HD11 H 1 0.46 0.02 . 1 . . . . 30 LEU HD1 . 15288 1 372 . 1 1 30 30 LEU HD12 H 1 0.46 0.02 . 1 . . . . 30 LEU HD1 . 15288 1 373 . 1 1 30 30 LEU HD13 H 1 0.46 0.02 . 1 . . . . 30 LEU HD1 . 15288 1 374 . 1 1 30 30 LEU HD21 H 1 0.42 0.02 . 1 . . . . 30 LEU HD2 . 15288 1 375 . 1 1 30 30 LEU HD22 H 1 0.42 0.02 . 1 . . . . 30 LEU HD2 . 15288 1 376 . 1 1 30 30 LEU HD23 H 1 0.42 0.02 . 1 . . . . 30 LEU HD2 . 15288 1 377 . 1 1 30 30 LEU HG H 1 1.32 0.02 . 1 . . . . 30 LEU HG . 15288 1 378 . 1 1 30 30 LEU C C 13 175.7 0.2 . 1 . . . . 30 LEU C . 15288 1 379 . 1 1 30 30 LEU CA C 13 52.3 0.2 . 1 . . . . 30 LEU CA . 15288 1 380 . 1 1 30 30 LEU CB C 13 44.9 0.2 . 1 . . . . 30 LEU CB . 15288 1 381 . 1 1 30 30 LEU CD1 C 13 25.2 0.2 . 1 . . . . 30 LEU CD1 . 15288 1 382 . 1 1 30 30 LEU CD2 C 13 24.6 0.2 . 1 . . . . 30 LEU CD2 . 15288 1 383 . 1 1 30 30 LEU CG C 13 27.6 0.2 . 1 . . . . 30 LEU CG . 15288 1 384 . 1 1 30 30 LEU N N 15 128.3 0.2 . 1 . . . . 30 LEU N . 15288 1 385 . 1 1 31 31 ILE H H 1 8.81 0.02 . 1 . . . . 31 ILE H . 15288 1 386 . 1 1 31 31 ILE HA H 1 5.10 0.02 . 1 . . . . 31 ILE HA . 15288 1 387 . 1 1 31 31 ILE HB H 1 1.57 0.02 . 1 . . . . 31 ILE HB . 15288 1 388 . 1 1 31 31 ILE HD11 H 1 0.11 0.02 . 1 . . . . 31 ILE HD1 . 15288 1 389 . 1 1 31 31 ILE HD12 H 1 0.11 0.02 . 1 . . . . 31 ILE HD1 . 15288 1 390 . 1 1 31 31 ILE HD13 H 1 0.11 0.02 . 1 . . . . 31 ILE HD1 . 15288 1 391 . 1 1 31 31 ILE HG12 H 1 0.83 0.02 . 2 . . . . 31 ILE HG12 . 15288 1 392 . 1 1 31 31 ILE HG13 H 1 0.96 0.02 . 2 . . . . 31 ILE HG13 . 15288 1 393 . 1 1 31 31 ILE HG21 H 1 0.48 0.02 . 1 . . . . 31 ILE HG2 . 15288 1 394 . 1 1 31 31 ILE HG22 H 1 0.48 0.02 . 1 . . . . 31 ILE HG2 . 15288 1 395 . 1 1 31 31 ILE HG23 H 1 0.48 0.02 . 1 . . . . 31 ILE HG2 . 15288 1 396 . 1 1 31 31 ILE C C 13 177.8 0.2 . 1 . . . . 31 ILE C . 15288 1 397 . 1 1 31 31 ILE CA C 13 58.4 0.2 . 1 . . . . 31 ILE CA . 15288 1 398 . 1 1 31 31 ILE CB C 13 38.7 0.2 . 1 . . . . 31 ILE CB . 15288 1 399 . 1 1 31 31 ILE CD1 C 13 12.3 0.2 . 1 . . . . 31 ILE CD1 . 15288 1 400 . 1 1 31 31 ILE CG1 C 13 27.2 0.2 . 1 . . . . 31 ILE CG1 . 15288 1 401 . 1 1 31 31 ILE CG2 C 13 17.9 0.2 . 1 . . . . 31 ILE CG2 . 15288 1 402 . 1 1 31 31 ILE N N 15 119.7 0.2 . 1 . . . . 31 ILE N . 15288 1 403 . 1 1 32 32 THR H H 1 8.73 0.02 . 1 . . . . 32 THR H . 15288 1 404 . 1 1 32 32 THR HA H 1 4.71 0.02 . 1 . . . . 32 THR HA . 15288 1 405 . 1 1 32 32 THR HB H 1 4.52 0.02 . 1 . . . . 32 THR HB . 15288 1 406 . 1 1 32 32 THR HG21 H 1 0.95 0.02 . 1 . . . . 32 THR HG2 . 15288 1 407 . 1 1 32 32 THR HG22 H 1 0.95 0.02 . 1 . . . . 32 THR HG2 . 15288 1 408 . 1 1 32 32 THR HG23 H 1 0.95 0.02 . 1 . . . . 32 THR HG2 . 15288 1 409 . 1 1 32 32 THR C C 13 174.2 0.2 . 1 . . . . 32 THR C . 15288 1 410 . 1 1 32 32 THR CA C 13 60.6 0.2 . 1 . . . . 32 THR CA . 15288 1 411 . 1 1 32 32 THR CB C 13 68.3 0.2 . 1 . . . . 32 THR CB . 15288 1 412 . 1 1 32 32 THR CG2 C 13 21.2 0.2 . 1 . . . . 32 THR CG2 . 15288 1 413 . 1 1 32 32 THR N N 15 118.2 0.2 . 1 . . . . 32 THR N . 15288 1 414 . 1 1 33 33 ASP H H 1 7.41 0.02 . 1 . . . . 33 ASP H . 15288 1 415 . 1 1 33 33 ASP HA H 1 4.69 0.02 . 1 . . . . 33 ASP HA . 15288 1 416 . 1 1 33 33 ASP HB2 H 1 2.64 0.02 . 2 . . . . 33 ASP HB2 . 15288 1 417 . 1 1 33 33 ASP HB3 H 1 2.94 0.02 . 2 . . . . 33 ASP HB3 . 15288 1 418 . 1 1 33 33 ASP C C 13 175.0 0.2 . 1 . . . . 33 ASP C . 15288 1 419 . 1 1 33 33 ASP CA C 13 53.6 0.2 . 1 . . . . 33 ASP CA . 15288 1 420 . 1 1 33 33 ASP CB C 13 41.3 0.2 . 1 . . . . 33 ASP CB . 15288 1 421 . 1 1 33 33 ASP N N 15 120.2 0.2 . 1 . . . . 33 ASP N . 15288 1 422 . 1 1 34 34 THR H H 1 8.34 0.02 . 1 . . . . 34 THR H . 15288 1 423 . 1 1 34 34 THR HA H 1 4.31 0.02 . 1 . . . . 34 THR HA . 15288 1 424 . 1 1 34 34 THR HB H 1 4.33 0.02 . 1 . . . . 34 THR HB . 15288 1 425 . 1 1 34 34 THR HG21 H 1 1.24 0.02 . 1 . . . . 34 THR HG2 . 15288 1 426 . 1 1 34 34 THR HG22 H 1 1.24 0.02 . 1 . . . . 34 THR HG2 . 15288 1 427 . 1 1 34 34 THR HG23 H 1 1.24 0.02 . 1 . . . . 34 THR HG2 . 15288 1 428 . 1 1 34 34 THR C C 13 174.9 0.2 . 1 . . . . 34 THR C . 15288 1 429 . 1 1 34 34 THR CA C 13 62.7 0.2 . 1 . . . . 34 THR CA . 15288 1 430 . 1 1 34 34 THR CB C 13 69.2 0.2 . 1 . . . . 34 THR CB . 15288 1 431 . 1 1 34 34 THR CG2 C 13 21.5 0.2 . 1 . . . . 34 THR CG2 . 15288 1 432 . 1 1 34 34 THR N N 15 112.1 0.2 . 1 . . . . 34 THR N . 15288 1 433 . 1 1 35 35 LYS H H 1 7.70 0.02 . 1 . . . . 35 LYS H . 15288 1 434 . 1 1 35 35 LYS HA H 1 4.34 0.02 . 1 . . . . 35 LYS HA . 15288 1 435 . 1 1 35 35 LYS HB2 H 1 1.66 0.02 . 2 . . . . 35 LYS HB2 . 15288 1 436 . 1 1 35 35 LYS HB3 H 1 1.71 0.02 . 2 . . . . 35 LYS HB3 . 15288 1 437 . 1 1 35 35 LYS HD2 H 1 1.64 0.02 . 2 . . . . 35 LYS HD2 . 15288 1 438 . 1 1 35 35 LYS HD3 H 1 1.66 0.02 . 2 . . . . 35 LYS HD3 . 15288 1 439 . 1 1 35 35 LYS HE2 H 1 2.96 0.02 . 2 . . . . 35 LYS HE2 . 15288 1 440 . 1 1 35 35 LYS HE3 H 1 2.98 0.02 . 2 . . . . 35 LYS HE3 . 15288 1 441 . 1 1 35 35 LYS HG2 H 1 1.34 0.02 . 2 . . . . 35 LYS HG2 . 15288 1 442 . 1 1 35 35 LYS HG3 H 1 1.36 0.02 . 2 . . . . 35 LYS HG3 . 15288 1 443 . 1 1 35 35 LYS C C 13 174.4 0.2 . 1 . . . . 35 LYS C . 15288 1 444 . 1 1 35 35 LYS CA C 13 55.2 0.2 . 1 . . . . 35 LYS CA . 15288 1 445 . 1 1 35 35 LYS CB C 13 33.3 0.2 . 1 . . . . 35 LYS CB . 15288 1 446 . 1 1 35 35 LYS CD C 13 29.0 0.2 . 1 . . . . 35 LYS CD . 15288 1 447 . 1 1 35 35 LYS CE C 13 42.0 0.2 . 1 . . . . 35 LYS CE . 15288 1 448 . 1 1 35 35 LYS CG C 13 24.1 0.2 . 1 . . . . 35 LYS CG . 15288 1 449 . 1 1 35 35 LYS N N 15 122.7 0.2 . 1 . . . . 35 LYS N . 15288 1 450 . 1 1 36 36 ALA H H 1 8.13 0.02 . 1 . . . . 36 ALA H . 15288 1 451 . 1 1 36 36 ALA HA H 1 2.95 0.02 . 1 . . . . 36 ALA HA . 15288 1 452 . 1 1 36 36 ALA HB1 H 1 0.96 0.02 . 1 . . . . 36 ALA HB . 15288 1 453 . 1 1 36 36 ALA HB2 H 1 0.96 0.02 . 1 . . . . 36 ALA HB . 15288 1 454 . 1 1 36 36 ALA HB3 H 1 0.96 0.02 . 1 . . . . 36 ALA HB . 15288 1 455 . 1 1 36 36 ALA C C 13 175.6 0.2 . 1 . . . . 36 ALA C . 15288 1 456 . 1 1 36 36 ALA CA C 13 50.2 0.2 . 1 . . . . 36 ALA CA . 15288 1 457 . 1 1 36 36 ALA CB C 13 17.4 0.2 . 1 . . . . 36 ALA CB . 15288 1 458 . 1 1 36 36 ALA N N 15 126.0 0.2 . 1 . . . . 36 ALA N . 15288 1 459 . 1 1 37 37 PRO HA H 1 4.26 0.02 . 1 . . . . 37 PRO HA . 15288 1 460 . 1 1 37 37 PRO HB2 H 1 1.49 0.02 . 2 . . . . 37 PRO HB2 . 15288 1 461 . 1 1 37 37 PRO HB3 H 1 1.87 0.02 . 2 . . . . 37 PRO HB3 . 15288 1 462 . 1 1 37 37 PRO HD2 H 1 2.82 0.02 . 2 . . . . 37 PRO HD2 . 15288 1 463 . 1 1 37 37 PRO HD3 H 1 2.94 0.02 . 2 . . . . 37 PRO HD3 . 15288 1 464 . 1 1 37 37 PRO HG2 H 1 1.32 0.02 . 2 . . . . 37 PRO HG2 . 15288 1 465 . 1 1 37 37 PRO HG3 H 1 1.56 0.02 . 2 . . . . 37 PRO HG3 . 15288 1 466 . 1 1 37 37 PRO C C 13 176.5 0.2 . 1 . . . . 37 PRO C . 15288 1 467 . 1 1 37 37 PRO CA C 13 62.2 0.2 . 1 . . . . 37 PRO CA . 15288 1 468 . 1 1 37 37 PRO CB C 13 31.4 0.2 . 1 . . . . 37 PRO CB . 15288 1 469 . 1 1 37 37 PRO CD C 13 50.2 0.2 . 1 . . . . 37 PRO CD . 15288 1 470 . 1 1 37 37 PRO CG C 13 27.1 0.2 . 1 . . . . 37 PRO CG . 15288 1 471 . 1 1 38 38 GLY H H 1 8.91 0.02 . 1 . . . . 38 GLY H . 15288 1 472 . 1 1 38 38 GLY HA2 H 1 3.69 0.02 . 2 . . . . 38 GLY HA2 . 15288 1 473 . 1 1 38 38 GLY HA3 H 1 4.23 0.02 . 2 . . . . 38 GLY HA3 . 15288 1 474 . 1 1 38 38 GLY C C 13 174.5 0.2 . 1 . . . . 38 GLY C . 15288 1 475 . 1 1 38 38 GLY CA C 13 44.1 0.2 . 1 . . . . 38 GLY CA . 15288 1 476 . 1 1 38 38 GLY N N 15 110.5 0.2 . 1 . . . . 38 GLY N . 15288 1 477 . 1 1 39 39 LYS H H 1 8.47 0.02 . 1 . . . . 39 LYS H . 15288 1 478 . 1 1 39 39 LYS HA H 1 3.90 0.02 . 1 . . . . 39 LYS HA . 15288 1 479 . 1 1 39 39 LYS HB2 H 1 1.78 0.02 . 2 . . . . 39 LYS HB2 . 15288 1 480 . 1 1 39 39 LYS HB3 H 1 1.86 0.02 . 2 . . . . 39 LYS HB3 . 15288 1 481 . 1 1 39 39 LYS HD2 H 1 1.66 0.02 . 2 . . . . 39 LYS HD2 . 15288 1 482 . 1 1 39 39 LYS HD3 H 1 1.71 0.02 . 2 . . . . 39 LYS HD3 . 15288 1 483 . 1 1 39 39 LYS HE2 H 1 2.97 0.02 . 2 . . . . 39 LYS HE2 . 15288 1 484 . 1 1 39 39 LYS HE3 H 1 3.00 0.02 . 2 . . . . 39 LYS HE3 . 15288 1 485 . 1 1 39 39 LYS HG2 H 1 1.42 0.02 . 2 . . . . 39 LYS HG2 . 15288 1 486 . 1 1 39 39 LYS HG3 H 1 1.48 0.02 . 2 . . . . 39 LYS HG3 . 15288 1 487 . 1 1 39 39 LYS C C 13 179.3 0.2 . 1 . . . . 39 LYS C . 15288 1 488 . 1 1 39 39 LYS CA C 13 59.7 0.2 . 1 . . . . 39 LYS CA . 15288 1 489 . 1 1 39 39 LYS CB C 13 32.4 0.2 . 1 . . . . 39 LYS CB . 15288 1 490 . 1 1 39 39 LYS CD C 13 29.2 0.2 . 1 . . . . 39 LYS CD . 15288 1 491 . 1 1 39 39 LYS CE C 13 42.0 0.2 . 1 . . . . 39 LYS CE . 15288 1 492 . 1 1 39 39 LYS CG C 13 24.6 0.2 . 1 . . . . 39 LYS CG . 15288 1 493 . 1 1 39 39 LYS N N 15 119.9 0.2 . 1 . . . . 39 LYS N . 15288 1 494 . 1 1 40 40 GLU H H 1 9.11 0.02 . 1 . . . . 40 GLU H . 15288 1 495 . 1 1 40 40 GLU HA H 1 4.13 0.02 . 1 . . . . 40 GLU HA . 15288 1 496 . 1 1 40 40 GLU HB2 H 1 1.93 0.02 . 2 . . . . 40 GLU HB2 . 15288 1 497 . 1 1 40 40 GLU HB3 H 1 2.02 0.02 . 2 . . . . 40 GLU HB3 . 15288 1 498 . 1 1 40 40 GLU HG2 H 1 2.26 0.02 . 2 . . . . 40 GLU HG2 . 15288 1 499 . 1 1 40 40 GLU HG3 H 1 2.31 0.02 . 2 . . . . 40 GLU HG3 . 15288 1 500 . 1 1 40 40 GLU C C 13 178.9 0.2 . 1 . . . . 40 GLU C . 15288 1 501 . 1 1 40 40 GLU CA C 13 58.1 0.2 . 1 . . . . 40 GLU CA . 15288 1 502 . 1 1 40 40 GLU CB C 13 27.9 0.2 . 1 . . . . 40 GLU CB . 15288 1 503 . 1 1 40 40 GLU CG C 13 35.1 0.2 . 1 . . . . 40 GLU CG . 15288 1 504 . 1 1 40 40 GLU N N 15 116.4 0.2 . 1 . . . . 40 GLU N . 15288 1 505 . 1 1 41 41 ASP H H 1 7.66 0.02 . 1 . . . . 41 ASP H . 15288 1 506 . 1 1 41 41 ASP HA H 1 4.45 0.02 . 1 . . . . 41 ASP HA . 15288 1 507 . 1 1 41 41 ASP HB2 H 1 2.32 0.02 . 2 . . . . 41 ASP HB2 . 15288 1 508 . 1 1 41 41 ASP HB3 H 1 2.64 0.02 . 2 . . . . 41 ASP HB3 . 15288 1 509 . 1 1 41 41 ASP C C 13 177.0 0.2 . 1 . . . . 41 ASP C . 15288 1 510 . 1 1 41 41 ASP CA C 13 56.6 0.2 . 1 . . . . 41 ASP CA . 15288 1 511 . 1 1 41 41 ASP CB C 13 39.8 0.2 . 1 . . . . 41 ASP CB . 15288 1 512 . 1 1 41 41 ASP N N 15 120.3 0.2 . 1 . . . . 41 ASP N . 15288 1 513 . 1 1 42 42 TYR H H 1 6.95 0.02 . 1 . . . . 42 TYR H . 15288 1 514 . 1 1 42 42 TYR HA H 1 4.34 0.02 . 1 . . . . 42 TYR HA . 15288 1 515 . 1 1 42 42 TYR HB2 H 1 2.80 0.02 . 2 . . . . 42 TYR HB2 . 15288 1 516 . 1 1 42 42 TYR HB3 H 1 3.25 0.02 . 2 . . . . 42 TYR HB3 . 15288 1 517 . 1 1 42 42 TYR HD1 H 1 7.25 0.02 . 3 . . . . 42 TYR HD1 . 15288 1 518 . 1 1 42 42 TYR HE1 H 1 6.71 0.02 . 3 . . . . 42 TYR HE1 . 15288 1 519 . 1 1 42 42 TYR C C 13 175.5 0.2 . 1 . . . . 42 TYR C . 15288 1 520 . 1 1 42 42 TYR CA C 13 59.0 0.2 . 1 . . . . 42 TYR CA . 15288 1 521 . 1 1 42 42 TYR CB C 13 37.3 0.2 . 1 . . . . 42 TYR CB . 15288 1 522 . 1 1 42 42 TYR CD1 C 13 132.9 0.2 . 3 . . . . 42 TYR CD1 . 15288 1 523 . 1 1 42 42 TYR CE1 C 13 117.9 0.2 . 3 . . . . 42 TYR CE1 . 15288 1 524 . 1 1 42 42 TYR N N 15 113.8 0.2 . 1 . . . . 42 TYR N . 15288 1 525 . 1 1 43 43 ASN H H 1 7.45 0.02 . 1 . . . . 43 ASN H . 15288 1 526 . 1 1 43 43 ASN HA H 1 4.97 0.02 . 1 . . . . 43 ASN HA . 15288 1 527 . 1 1 43 43 ASN HB2 H 1 2.67 0.02 . 2 . . . . 43 ASN HB2 . 15288 1 528 . 1 1 43 43 ASN HB3 H 1 3.05 0.02 . 2 . . . . 43 ASN HB3 . 15288 1 529 . 1 1 43 43 ASN HD21 H 1 6.89 0.02 . 2 . . . . 43 ASN HD21 . 15288 1 530 . 1 1 43 43 ASN HD22 H 1 7.56 0.02 . 2 . . . . 43 ASN HD22 . 15288 1 531 . 1 1 43 43 ASN C C 13 174.9 0.2 . 1 . . . . 43 ASN C . 15288 1 532 . 1 1 43 43 ASN CA C 13 52.4 0.2 . 1 . . . . 43 ASN CA . 15288 1 533 . 1 1 43 43 ASN CB C 13 39.4 0.2 . 1 . . . . 43 ASN CB . 15288 1 534 . 1 1 43 43 ASN N N 15 115.1 0.2 . 1 . . . . 43 ASN N . 15288 1 535 . 1 1 43 43 ASN ND2 N 15 113.0 0.2 . 1 . . . . 43 ASN ND2 . 15288 1 536 . 1 1 44 44 LEU H H 1 7.11 0.02 . 1 . . . . 44 LEU H . 15288 1 537 . 1 1 44 44 LEU HA H 1 4.48 0.02 . 1 . . . . 44 LEU HA . 15288 1 538 . 1 1 44 44 LEU HB2 H 1 1.51 0.02 . 2 . . . . 44 LEU HB2 . 15288 1 539 . 1 1 44 44 LEU HB3 H 1 1.85 0.02 . 2 . . . . 44 LEU HB3 . 15288 1 540 . 1 1 44 44 LEU HD11 H 1 0.92 0.02 . 1 . . . . 44 LEU HD1 . 15288 1 541 . 1 1 44 44 LEU HD12 H 1 0.92 0.02 . 1 . . . . 44 LEU HD1 . 15288 1 542 . 1 1 44 44 LEU HD13 H 1 0.92 0.02 . 1 . . . . 44 LEU HD1 . 15288 1 543 . 1 1 44 44 LEU HD21 H 1 0.78 0.02 . 1 . . . . 44 LEU HD2 . 15288 1 544 . 1 1 44 44 LEU HD22 H 1 0.78 0.02 . 1 . . . . 44 LEU HD2 . 15288 1 545 . 1 1 44 44 LEU HD23 H 1 0.78 0.02 . 1 . . . . 44 LEU HD2 . 15288 1 546 . 1 1 44 44 LEU HG H 1 1.97 0.02 . 1 . . . . 44 LEU HG . 15288 1 547 . 1 1 44 44 LEU C C 13 176.7 0.2 . 1 . . . . 44 LEU C . 15288 1 548 . 1 1 44 44 LEU CA C 13 54.4 0.2 . 1 . . . . 44 LEU CA . 15288 1 549 . 1 1 44 44 LEU CB C 13 42.9 0.2 . 1 . . . . 44 LEU CB . 15288 1 550 . 1 1 44 44 LEU CD1 C 13 26.0 0.2 . 1 . . . . 44 LEU CD1 . 15288 1 551 . 1 1 44 44 LEU CD2 C 13 22.0 0.2 . 1 . . . . 44 LEU CD2 . 15288 1 552 . 1 1 44 44 LEU CG C 13 26.6 0.2 . 1 . . . . 44 LEU CG . 15288 1 553 . 1 1 44 44 LEU N N 15 120.6 0.2 . 1 . . . . 44 LEU N . 15288 1 554 . 1 1 45 45 SER H H 1 8.78 0.02 . 1 . . . . 45 SER H . 15288 1 555 . 1 1 45 45 SER HA H 1 4.43 0.02 . 1 . . . . 45 SER HA . 15288 1 556 . 1 1 45 45 SER HB2 H 1 3.99 0.02 . 2 . . . . 45 SER HB2 . 15288 1 557 . 1 1 45 45 SER HB3 H 1 4.30 0.02 . 2 . . . . 45 SER HB3 . 15288 1 558 . 1 1 45 45 SER C C 13 174.7 0.2 . 1 . . . . 45 SER C . 15288 1 559 . 1 1 45 45 SER CA C 13 56.9 0.2 . 1 . . . . 45 SER CA . 15288 1 560 . 1 1 45 45 SER CB C 13 65.2 0.2 . 1 . . . . 45 SER CB . 15288 1 561 . 1 1 45 45 SER N N 15 116.4 0.2 . 1 . . . . 45 SER N . 15288 1 562 . 1 1 46 46 GLU H H 1 9.16 0.02 . 1 . . . . 46 GLU H . 15288 1 563 . 1 1 46 46 GLU HA H 1 3.74 0.02 . 1 . . . . 46 GLU HA . 15288 1 564 . 1 1 46 46 GLU HB2 H 1 1.93 0.02 . 2 . . . . 46 GLU HB2 . 15288 1 565 . 1 1 46 46 GLU HB3 H 1 2.02 0.02 . 2 . . . . 46 GLU HB3 . 15288 1 566 . 1 1 46 46 GLU HG2 H 1 2.06 0.02 . 2 . . . . 46 GLU HG2 . 15288 1 567 . 1 1 46 46 GLU HG3 H 1 2.18 0.02 . 2 . . . . 46 GLU HG3 . 15288 1 568 . 1 1 46 46 GLU C C 13 177.9 0.2 . 1 . . . . 46 GLU C . 15288 1 569 . 1 1 46 46 GLU CA C 13 60.8 0.2 . 1 . . . . 46 GLU CA . 15288 1 570 . 1 1 46 46 GLU CB C 13 28.9 0.2 . 1 . . . . 46 GLU CB . 15288 1 571 . 1 1 46 46 GLU CG C 13 34.9 0.2 . 1 . . . . 46 GLU CG . 15288 1 572 . 1 1 46 46 GLU N N 15 121.2 0.2 . 1 . . . . 46 GLU N . 15288 1 573 . 1 1 47 47 GLY H H 1 8.74 0.02 . 1 . . . . 47 GLY H . 15288 1 574 . 1 1 47 47 GLY HA2 H 1 3.73 0.02 . 2 . . . . 47 GLY HA2 . 15288 1 575 . 1 1 47 47 GLY HA3 H 1 3.83 0.02 . 2 . . . . 47 GLY HA3 . 15288 1 576 . 1 1 47 47 GLY C C 13 177.1 0.2 . 1 . . . . 47 GLY C . 15288 1 577 . 1 1 47 47 GLY CA C 13 47.0 0.2 . 1 . . . . 47 GLY CA . 15288 1 578 . 1 1 47 47 GLY N N 15 105.2 0.2 . 1 . . . . 47 GLY N . 15288 1 579 . 1 1 48 48 GLN H H 1 7.66 0.02 . 1 . . . . 48 GLN H . 15288 1 580 . 1 1 48 48 GLN HA H 1 4.12 0.02 . 1 . . . . 48 GLN HA . 15288 1 581 . 1 1 48 48 GLN HB2 H 1 1.97 0.02 . 2 . . . . 48 GLN HB2 . 15288 1 582 . 1 1 48 48 GLN HB3 H 1 2.42 0.02 . 2 . . . . 48 GLN HB3 . 15288 1 583 . 1 1 48 48 GLN HE21 H 1 6.90 0.02 . 2 . . . . 48 GLN HE21 . 15288 1 584 . 1 1 48 48 GLN HE22 H 1 7.56 0.02 . 2 . . . . 48 GLN HE22 . 15288 1 585 . 1 1 48 48 GLN HG2 H 1 2.40 0.02 . 2 . . . . 48 GLN HG2 . 15288 1 586 . 1 1 48 48 GLN HG3 H 1 2.44 0.02 . 2 . . . . 48 GLN HG3 . 15288 1 587 . 1 1 48 48 GLN C C 13 180.2 0.2 . 1 . . . . 48 GLN C . 15288 1 588 . 1 1 48 48 GLN CA C 13 58.5 0.2 . 1 . . . . 48 GLN CA . 15288 1 589 . 1 1 48 48 GLN CB C 13 29.8 0.2 . 1 . . . . 48 GLN CB . 15288 1 590 . 1 1 48 48 GLN CG C 13 34.6 0.2 . 1 . . . . 48 GLN CG . 15288 1 591 . 1 1 48 48 GLN N N 15 120.8 0.2 . 1 . . . . 48 GLN N . 15288 1 592 . 1 1 48 48 GLN NE2 N 15 112.9 0.2 . 1 . . . . 48 GLN NE2 . 15288 1 593 . 1 1 49 49 LEU H H 1 8.91 0.02 . 1 . . . . 49 LEU H . 15288 1 594 . 1 1 49 49 LEU HA H 1 4.04 0.02 . 1 . . . . 49 LEU HA . 15288 1 595 . 1 1 49 49 LEU HB2 H 1 1.32 0.02 . 2 . . . . 49 LEU HB2 . 15288 1 596 . 1 1 49 49 LEU HB3 H 1 2.11 0.02 . 2 . . . . 49 LEU HB3 . 15288 1 597 . 1 1 49 49 LEU HD11 H 1 0.78 0.02 . 1 . . . . 49 LEU HD1 . 15288 1 598 . 1 1 49 49 LEU HD12 H 1 0.78 0.02 . 1 . . . . 49 LEU HD1 . 15288 1 599 . 1 1 49 49 LEU HD13 H 1 0.78 0.02 . 1 . . . . 49 LEU HD1 . 15288 1 600 . 1 1 49 49 LEU HD21 H 1 1.01 0.02 . 1 . . . . 49 LEU HD2 . 15288 1 601 . 1 1 49 49 LEU HD22 H 1 1.01 0.02 . 1 . . . . 49 LEU HD2 . 15288 1 602 . 1 1 49 49 LEU HD23 H 1 1.01 0.02 . 1 . . . . 49 LEU HD2 . 15288 1 603 . 1 1 49 49 LEU HG H 1 1.76 0.02 . 1 . . . . 49 LEU HG . 15288 1 604 . 1 1 49 49 LEU C C 13 178.5 0.2 . 1 . . . . 49 LEU C . 15288 1 605 . 1 1 49 49 LEU CA C 13 58.4 0.2 . 1 . . . . 49 LEU CA . 15288 1 606 . 1 1 49 49 LEU CB C 13 42.5 0.2 . 1 . . . . 49 LEU CB . 15288 1 607 . 1 1 49 49 LEU CD1 C 13 25.8 0.2 . 1 . . . . 49 LEU CD1 . 15288 1 608 . 1 1 49 49 LEU CD2 C 13 24.4 0.2 . 1 . . . . 49 LEU CD2 . 15288 1 609 . 1 1 49 49 LEU CG C 13 26.5 0.2 . 1 . . . . 49 LEU CG . 15288 1 610 . 1 1 49 49 LEU N N 15 123.3 0.2 . 1 . . . . 49 LEU N . 15288 1 611 . 1 1 50 50 MET H H 1 8.21 0.02 . 1 . . . . 50 MET H . 15288 1 612 . 1 1 50 50 MET HA H 1 4.03 0.02 . 1 . . . . 50 MET HA . 15288 1 613 . 1 1 50 50 MET HB2 H 1 2.03 0.02 . 2 . . . . 50 MET HB2 . 15288 1 614 . 1 1 50 50 MET HB3 H 1 2.16 0.02 . 2 . . . . 50 MET HB3 . 15288 1 615 . 1 1 50 50 MET HE1 H 1 1.97 0.02 . 1 . . . . 50 MET HE . 15288 1 616 . 1 1 50 50 MET HE2 H 1 1.97 0.02 . 1 . . . . 50 MET HE . 15288 1 617 . 1 1 50 50 MET HE3 H 1 1.97 0.02 . 1 . . . . 50 MET HE . 15288 1 618 . 1 1 50 50 MET HG2 H 1 2.59 0.02 . 2 . . . . 50 MET HG2 . 15288 1 619 . 1 1 50 50 MET HG3 H 1 2.75 0.02 . 2 . . . . 50 MET HG3 . 15288 1 620 . 1 1 50 50 MET C C 13 177.6 0.2 . 1 . . . . 50 MET C . 15288 1 621 . 1 1 50 50 MET CA C 13 58.1 0.2 . 1 . . . . 50 MET CA . 15288 1 622 . 1 1 50 50 MET CB C 13 32.1 0.2 . 1 . . . . 50 MET CB . 15288 1 623 . 1 1 50 50 MET CE C 13 17.1 0.2 . 1 . . . . 50 MET CE . 15288 1 624 . 1 1 50 50 MET CG C 13 32.4 0.2 . 1 . . . . 50 MET CG . 15288 1 625 . 1 1 50 50 MET N N 15 116.1 0.2 . 1 . . . . 50 MET N . 15288 1 626 . 1 1 51 51 ASN H H 1 7.20 0.02 . 1 . . . . 51 ASN H . 15288 1 627 . 1 1 51 51 ASN HA H 1 4.52 0.02 . 1 . . . . 51 ASN HA . 15288 1 628 . 1 1 51 51 ASN HB2 H 1 2.72 0.02 . 2 . . . . 51 ASN HB2 . 15288 1 629 . 1 1 51 51 ASN HB3 H 1 2.76 0.02 . 2 . . . . 51 ASN HB3 . 15288 1 630 . 1 1 51 51 ASN HD21 H 1 6.89 0.02 . 2 . . . . 51 ASN HD21 . 15288 1 631 . 1 1 51 51 ASN HD22 H 1 7.62 0.02 . 2 . . . . 51 ASN HD22 . 15288 1 632 . 1 1 51 51 ASN C C 13 176.3 0.2 . 1 . . . . 51 ASN C . 15288 1 633 . 1 1 51 51 ASN CA C 13 55.3 0.2 . 1 . . . . 51 ASN CA . 15288 1 634 . 1 1 51 51 ASN CB C 13 39.2 0.2 . 1 . . . . 51 ASN CB . 15288 1 635 . 1 1 51 51 ASN N N 15 114.4 0.2 . 1 . . . . 51 ASN N . 15288 1 636 . 1 1 51 51 ASN ND2 N 15 113.2 0.2 . 1 . . . . 51 ASN ND2 . 15288 1 637 . 1 1 52 52 LYS H H 1 8.00 0.02 . 1 . . . . 52 LYS H . 15288 1 638 . 1 1 52 52 LYS HA H 1 3.83 0.02 . 1 . . . . 52 LYS HA . 15288 1 639 . 1 1 52 52 LYS HB2 H 1 1.31 0.02 . 2 . . . . 52 LYS HB2 . 15288 1 640 . 1 1 52 52 LYS HB3 H 1 1.57 0.02 . 2 . . . . 52 LYS HB3 . 15288 1 641 . 1 1 52 52 LYS HD2 H 1 1.15 0.02 . 2 . . . . 52 LYS HD2 . 15288 1 642 . 1 1 52 52 LYS HD3 H 1 1.25 0.02 . 2 . . . . 52 LYS HD3 . 15288 1 643 . 1 1 52 52 LYS HE2 H 1 2.56 0.02 . 2 . . . . 52 LYS HE2 . 15288 1 644 . 1 1 52 52 LYS HE3 H 1 2.61 0.02 . 2 . . . . 52 LYS HE3 . 15288 1 645 . 1 1 52 52 LYS HG2 H 1 -0.09 0.02 . 2 . . . . 52 LYS HG2 . 15288 1 646 . 1 1 52 52 LYS HG3 H 1 0.81 0.02 . 2 . . . . 52 LYS HG3 . 15288 1 647 . 1 1 52 52 LYS C C 13 177.2 0.2 . 1 . . . . 52 LYS C . 15288 1 648 . 1 1 52 52 LYS CA C 13 59.1 0.2 . 1 . . . . 52 LYS CA . 15288 1 649 . 1 1 52 52 LYS CB C 13 33.4 0.2 . 1 . . . . 52 LYS CB . 15288 1 650 . 1 1 52 52 LYS CD C 13 29.5 0.2 . 1 . . . . 52 LYS CD . 15288 1 651 . 1 1 52 52 LYS CE C 13 41.8 0.2 . 1 . . . . 52 LYS CE . 15288 1 652 . 1 1 52 52 LYS CG C 13 24.9 0.2 . 1 . . . . 52 LYS CG . 15288 1 653 . 1 1 52 52 LYS N N 15 120.0 0.2 . 1 . . . . 52 LYS N . 15288 1 654 . 1 1 53 53 PHE H H 1 8.16 0.02 . 1 . . . . 53 PHE H . 15288 1 655 . 1 1 53 53 PHE HA H 1 4.84 0.02 . 1 . . . . 53 PHE HA . 15288 1 656 . 1 1 53 53 PHE HB2 H 1 2.67 0.02 . 2 . . . . 53 PHE HB2 . 15288 1 657 . 1 1 53 53 PHE HB3 H 1 3.27 0.02 . 2 . . . . 53 PHE HB3 . 15288 1 658 . 1 1 53 53 PHE HD1 H 1 7.30 0.02 . 3 . . . . 53 PHE HD1 . 15288 1 659 . 1 1 53 53 PHE HE1 H 1 7.16 0.02 . 3 . . . . 53 PHE HE1 . 15288 1 660 . 1 1 53 53 PHE HZ H 1 7.23 0.02 . 1 . . . . 53 PHE HZ . 15288 1 661 . 1 1 53 53 PHE C C 13 174.5 0.2 . 1 . . . . 53 PHE C . 15288 1 662 . 1 1 53 53 PHE CA C 13 57.0 0.2 . 1 . . . . 53 PHE CA . 15288 1 663 . 1 1 53 53 PHE CB C 13 38.4 0.2 . 1 . . . . 53 PHE CB . 15288 1 664 . 1 1 53 53 PHE CD1 C 13 132.1 0.2 . 3 . . . . 53 PHE CD1 . 15288 1 665 . 1 1 53 53 PHE CE1 C 13 130.9 0.2 . 3 . . . . 53 PHE CE1 . 15288 1 666 . 1 1 53 53 PHE CZ C 13 129.3 0.2 . 1 . . . . 53 PHE CZ . 15288 1 667 . 1 1 53 53 PHE N N 15 115.7 0.2 . 1 . . . . 53 PHE N . 15288 1 668 . 1 1 54 54 LYS H H 1 6.83 0.02 . 1 . . . . 54 LYS H . 15288 1 669 . 1 1 54 54 LYS HA H 1 4.02 0.02 . 1 . . . . 54 LYS HA . 15288 1 670 . 1 1 54 54 LYS HB2 H 1 1.77 0.02 . 2 . . . . 54 LYS HB2 . 15288 1 671 . 1 1 54 54 LYS HB3 H 1 1.95 0.02 . 2 . . . . 54 LYS HB3 . 15288 1 672 . 1 1 54 54 LYS HD2 H 1 1.69 0.02 . 2 . . . . 54 LYS HD2 . 15288 1 673 . 1 1 54 54 LYS HD3 H 1 1.73 0.02 . 2 . . . . 54 LYS HD3 . 15288 1 674 . 1 1 54 54 LYS HE2 H 1 3.00 0.02 . 2 . . . . 54 LYS HE2 . 15288 1 675 . 1 1 54 54 LYS HE3 H 1 3.02 0.02 . 2 . . . . 54 LYS HE3 . 15288 1 676 . 1 1 54 54 LYS HG2 H 1 1.40 0.02 . 2 . . . . 54 LYS HG2 . 15288 1 677 . 1 1 54 54 LYS HG3 H 1 1.44 0.02 . 2 . . . . 54 LYS HG3 . 15288 1 678 . 1 1 54 54 LYS C C 13 177.1 0.2 . 1 . . . . 54 LYS C . 15288 1 679 . 1 1 54 54 LYS CA C 13 59.0 0.2 . 1 . . . . 54 LYS CA . 15288 1 680 . 1 1 54 54 LYS CB C 13 32.3 0.2 . 1 . . . . 54 LYS CB . 15288 1 681 . 1 1 54 54 LYS CD C 13 29.1 0.2 . 1 . . . . 54 LYS CD . 15288 1 682 . 1 1 54 54 LYS CE C 13 42.1 0.2 . 1 . . . . 54 LYS CE . 15288 1 683 . 1 1 54 54 LYS CG C 13 24.1 0.2 . 1 . . . . 54 LYS CG . 15288 1 684 . 1 1 54 54 LYS N N 15 119.5 0.2 . 1 . . . . 54 LYS N . 15288 1 685 . 1 1 55 55 ASN H H 1 8.94 0.02 . 1 . . . . 55 ASN H . 15288 1 686 . 1 1 55 55 ASN HA H 1 4.61 0.02 . 1 . . . . 55 ASN HA . 15288 1 687 . 1 1 55 55 ASN HB2 H 1 3.01 0.02 . 2 . . . . 55 ASN HB2 . 15288 1 688 . 1 1 55 55 ASN HB3 H 1 3.03 0.02 . 2 . . . . 55 ASN HB3 . 15288 1 689 . 1 1 55 55 ASN HD21 H 1 7.00 0.02 . 2 . . . . 55 ASN HD21 . 15288 1 690 . 1 1 55 55 ASN HD22 H 1 7.66 0.02 . 2 . . . . 55 ASN HD22 . 15288 1 691 . 1 1 55 55 ASN C C 13 175.1 0.2 . 1 . . . . 55 ASN C . 15288 1 692 . 1 1 55 55 ASN CA C 13 55.3 0.2 . 1 . . . . 55 ASN CA . 15288 1 693 . 1 1 55 55 ASN CB C 13 38.3 0.2 . 1 . . . . 55 ASN CB . 15288 1 694 . 1 1 55 55 ASN N N 15 117.3 0.2 . 1 . . . . 55 ASN N . 15288 1 695 . 1 1 55 55 ASN ND2 N 15 113.8 0.2 . 1 . . . . 55 ASN ND2 . 15288 1 696 . 1 1 56 56 ASN H H 1 8.74 0.02 . 1 . . . . 56 ASN H . 15288 1 697 . 1 1 56 56 ASN HA H 1 4.99 0.02 . 1 . . . . 56 ASN HA . 15288 1 698 . 1 1 56 56 ASN HB2 H 1 2.44 0.02 . 2 . . . . 56 ASN HB2 . 15288 1 699 . 1 1 56 56 ASN HB3 H 1 3.28 0.02 . 2 . . . . 56 ASN HB3 . 15288 1 700 . 1 1 56 56 ASN HD21 H 1 6.91 0.02 . 2 . . . . 56 ASN HD21 . 15288 1 701 . 1 1 56 56 ASN HD22 H 1 7.54 0.02 . 2 . . . . 56 ASN HD22 . 15288 1 702 . 1 1 56 56 ASN C C 13 173.0 0.2 . 1 . . . . 56 ASN C . 15288 1 703 . 1 1 56 56 ASN CA C 13 53.5 0.2 . 1 . . . . 56 ASN CA . 15288 1 704 . 1 1 56 56 ASN CB C 13 40.2 0.2 . 1 . . . . 56 ASN CB . 15288 1 705 . 1 1 56 56 ASN N N 15 119.6 0.2 . 1 . . . . 56 ASN N . 15288 1 706 . 1 1 56 56 ASN ND2 N 15 112.8 0.2 . 1 . . . . 56 ASN ND2 . 15288 1 707 . 1 1 57 57 ILE H H 1 7.64 0.02 . 1 . . . . 57 ILE H . 15288 1 708 . 1 1 57 57 ILE HA H 1 5.36 0.02 . 1 . . . . 57 ILE HA . 15288 1 709 . 1 1 57 57 ILE HB H 1 1.71 0.02 . 1 . . . . 57 ILE HB . 15288 1 710 . 1 1 57 57 ILE HD11 H 1 0.71 0.02 . 1 . . . . 57 ILE HD1 . 15288 1 711 . 1 1 57 57 ILE HD12 H 1 0.71 0.02 . 1 . . . . 57 ILE HD1 . 15288 1 712 . 1 1 57 57 ILE HD13 H 1 0.71 0.02 . 1 . . . . 57 ILE HD1 . 15288 1 713 . 1 1 57 57 ILE HG12 H 1 0.96 0.02 . 2 . . . . 57 ILE HG12 . 15288 1 714 . 1 1 57 57 ILE HG13 H 1 1.47 0.02 . 2 . . . . 57 ILE HG13 . 15288 1 715 . 1 1 57 57 ILE HG21 H 1 0.84 0.02 . 1 . . . . 57 ILE HG2 . 15288 1 716 . 1 1 57 57 ILE HG22 H 1 0.84 0.02 . 1 . . . . 57 ILE HG2 . 15288 1 717 . 1 1 57 57 ILE HG23 H 1 0.84 0.02 . 1 . . . . 57 ILE HG2 . 15288 1 718 . 1 1 57 57 ILE C C 13 174.5 0.2 . 1 . . . . 57 ILE C . 15288 1 719 . 1 1 57 57 ILE CA C 13 59.0 0.2 . 1 . . . . 57 ILE CA . 15288 1 720 . 1 1 57 57 ILE CB C 13 41.0 0.2 . 1 . . . . 57 ILE CB . 15288 1 721 . 1 1 57 57 ILE CD1 C 13 14.4 0.2 . 1 . . . . 57 ILE CD1 . 15288 1 722 . 1 1 57 57 ILE CG1 C 13 28.1 0.2 . 1 . . . . 57 ILE CG1 . 15288 1 723 . 1 1 57 57 ILE CG2 C 13 16.9 0.2 . 1 . . . . 57 ILE CG2 . 15288 1 724 . 1 1 57 57 ILE N N 15 117.3 0.2 . 1 . . . . 57 ILE N . 15288 1 725 . 1 1 58 58 VAL H H 1 8.68 0.02 . 1 . . . . 58 VAL H . 15288 1 726 . 1 1 58 58 VAL HA H 1 4.37 0.02 . 1 . . . . 58 VAL HA . 15288 1 727 . 1 1 58 58 VAL HB H 1 1.61 0.02 . 1 . . . . 58 VAL HB . 15288 1 728 . 1 1 58 58 VAL HG11 H 1 0.49 0.02 . 1 . . . . 58 VAL HG1 . 15288 1 729 . 1 1 58 58 VAL HG12 H 1 0.49 0.02 . 1 . . . . 58 VAL HG1 . 15288 1 730 . 1 1 58 58 VAL HG13 H 1 0.49 0.02 . 1 . . . . 58 VAL HG1 . 15288 1 731 . 1 1 58 58 VAL HG21 H 1 0.61 0.02 . 1 . . . . 58 VAL HG2 . 15288 1 732 . 1 1 58 58 VAL HG22 H 1 0.61 0.02 . 1 . . . . 58 VAL HG2 . 15288 1 733 . 1 1 58 58 VAL HG23 H 1 0.61 0.02 . 1 . . . . 58 VAL HG2 . 15288 1 734 . 1 1 58 58 VAL C C 13 173.2 0.2 . 1 . . . . 58 VAL C . 15288 1 735 . 1 1 58 58 VAL CA C 13 60.5 0.2 . 1 . . . . 58 VAL CA . 15288 1 736 . 1 1 58 58 VAL CB C 13 36.0 0.2 . 1 . . . . 58 VAL CB . 15288 1 737 . 1 1 58 58 VAL CG1 C 13 20.1 0.2 . 1 . . . . 58 VAL CG1 . 15288 1 738 . 1 1 58 58 VAL CG2 C 13 21.1 0.2 . 1 . . . . 58 VAL CG2 . 15288 1 739 . 1 1 58 58 VAL N N 15 124.2 0.2 . 1 . . . . 58 VAL N . 15288 1 740 . 1 1 59 59 ILE H H 1 8.60 0.02 . 1 . . . . 59 ILE H . 15288 1 741 . 1 1 59 59 ILE HA H 1 4.48 0.02 . 1 . . . . 59 ILE HA . 15288 1 742 . 1 1 59 59 ILE HB H 1 1.67 0.02 . 1 . . . . 59 ILE HB . 15288 1 743 . 1 1 59 59 ILE HD11 H 1 0.71 0.02 . 1 . . . . 59 ILE HD1 . 15288 1 744 . 1 1 59 59 ILE HD12 H 1 0.71 0.02 . 1 . . . . 59 ILE HD1 . 15288 1 745 . 1 1 59 59 ILE HD13 H 1 0.71 0.02 . 1 . . . . 59 ILE HD1 . 15288 1 746 . 1 1 59 59 ILE HG12 H 1 0.97 0.02 . 2 . . . . 59 ILE HG12 . 15288 1 747 . 1 1 59 59 ILE HG13 H 1 1.42 0.02 . 2 . . . . 59 ILE HG13 . 15288 1 748 . 1 1 59 59 ILE HG21 H 1 0.73 0.02 . 1 . . . . 59 ILE HG2 . 15288 1 749 . 1 1 59 59 ILE HG22 H 1 0.73 0.02 . 1 . . . . 59 ILE HG2 . 15288 1 750 . 1 1 59 59 ILE HG23 H 1 0.73 0.02 . 1 . . . . 59 ILE HG2 . 15288 1 751 . 1 1 59 59 ILE C C 13 175.5 0.2 . 1 . . . . 59 ILE C . 15288 1 752 . 1 1 59 59 ILE CA C 13 60.5 0.2 . 1 . . . . 59 ILE CA . 15288 1 753 . 1 1 59 59 ILE CB C 13 38.0 0.2 . 1 . . . . 59 ILE CB . 15288 1 754 . 1 1 59 59 ILE CD1 C 13 13.0 0.2 . 1 . . . . 59 ILE CD1 . 15288 1 755 . 1 1 59 59 ILE CG1 C 13 27.8 0.2 . 1 . . . . 59 ILE CG1 . 15288 1 756 . 1 1 59 59 ILE CG2 C 13 17.7 0.2 . 1 . . . . 59 ILE CG2 . 15288 1 757 . 1 1 59 59 ILE N N 15 126.4 0.2 . 1 . . . . 59 ILE N . 15288 1 758 . 1 1 60 60 VAL H H 1 9.22 0.02 . 1 . . . . 60 VAL H . 15288 1 759 . 1 1 60 60 VAL HA H 1 5.28 0.02 . 1 . . . . 60 VAL HA . 15288 1 760 . 1 1 60 60 VAL HB H 1 2.01 0.02 . 1 . . . . 60 VAL HB . 15288 1 761 . 1 1 60 60 VAL HG11 H 1 0.67 0.02 . 1 . . . . 60 VAL HG1 . 15288 1 762 . 1 1 60 60 VAL HG12 H 1 0.67 0.02 . 1 . . . . 60 VAL HG1 . 15288 1 763 . 1 1 60 60 VAL HG13 H 1 0.67 0.02 . 1 . . . . 60 VAL HG1 . 15288 1 764 . 1 1 60 60 VAL HG21 H 1 0.82 0.02 . 1 . . . . 60 VAL HG2 . 15288 1 765 . 1 1 60 60 VAL HG22 H 1 0.82 0.02 . 1 . . . . 60 VAL HG2 . 15288 1 766 . 1 1 60 60 VAL HG23 H 1 0.82 0.02 . 1 . . . . 60 VAL HG2 . 15288 1 767 . 1 1 60 60 VAL C C 13 175.0 0.2 . 1 . . . . 60 VAL C . 15288 1 768 . 1 1 60 60 VAL CA C 13 57.7 0.2 . 1 . . . . 60 VAL CA . 15288 1 769 . 1 1 60 60 VAL CB C 13 33.0 0.2 . 1 . . . . 60 VAL CB . 15288 1 770 . 1 1 60 60 VAL CG1 C 13 22.4 0.2 . 1 . . . . 60 VAL CG1 . 15288 1 771 . 1 1 60 60 VAL CG2 C 13 20.0 0.2 . 1 . . . . 60 VAL CG2 . 15288 1 772 . 1 1 60 60 VAL N N 15 121.3 0.2 . 1 . . . . 60 VAL N . 15288 1 773 . 1 1 61 61 GLY H H 1 9.20 0.02 . 1 . . . . 61 GLY H . 15288 1 774 . 1 1 61 61 GLY HA2 H 1 3.91 0.02 . 2 . . . . 61 GLY HA2 . 15288 1 775 . 1 1 61 61 GLY HA3 H 1 4.45 0.02 . 2 . . . . 61 GLY HA3 . 15288 1 776 . 1 1 61 61 GLY C C 13 176.7 0.2 . 1 . . . . 61 GLY C . 15288 1 777 . 1 1 61 61 GLY CA C 13 45.4 0.2 . 1 . . . . 61 GLY CA . 15288 1 778 . 1 1 61 61 GLY N N 15 113.1 0.2 . 1 . . . . 61 GLY N . 15288 1 779 . 1 1 62 62 LEU H H 1 8.15 0.02 . 1 . . . . 62 LEU H . 15288 1 780 . 1 1 62 62 LEU HA H 1 4.53 0.02 . 1 . . . . 62 LEU HA . 15288 1 781 . 1 1 62 62 LEU HB2 H 1 1.43 0.02 . 2 . . . . 62 LEU HB2 . 15288 1 782 . 1 1 62 62 LEU HB3 H 1 1.79 0.02 . 2 . . . . 62 LEU HB3 . 15288 1 783 . 1 1 62 62 LEU HD11 H 1 0.74 0.02 . 1 . . . . 62 LEU HD1 . 15288 1 784 . 1 1 62 62 LEU HD12 H 1 0.74 0.02 . 1 . . . . 62 LEU HD1 . 15288 1 785 . 1 1 62 62 LEU HD13 H 1 0.74 0.02 . 1 . . . . 62 LEU HD1 . 15288 1 786 . 1 1 62 62 LEU HD21 H 1 0.51 0.02 . 1 . . . . 62 LEU HD2 . 15288 1 787 . 1 1 62 62 LEU HD22 H 1 0.51 0.02 . 1 . . . . 62 LEU HD2 . 15288 1 788 . 1 1 62 62 LEU HD23 H 1 0.51 0.02 . 1 . . . . 62 LEU HD2 . 15288 1 789 . 1 1 62 62 LEU HG H 1 1.48 0.02 . 1 . . . . 62 LEU HG . 15288 1 790 . 1 1 62 62 LEU C C 13 177.7 0.2 . 1 . . . . 62 LEU C . 15288 1 791 . 1 1 62 62 LEU CA C 13 54.9 0.2 . 1 . . . . 62 LEU CA . 15288 1 792 . 1 1 62 62 LEU CB C 13 41.4 0.2 . 1 . . . . 62 LEU CB . 15288 1 793 . 1 1 62 62 LEU CD1 C 13 25.9 0.2 . 1 . . . . 62 LEU CD1 . 15288 1 794 . 1 1 62 62 LEU CD2 C 13 22.5 0.2 . 1 . . . . 62 LEU CD2 . 15288 1 795 . 1 1 62 62 LEU CG C 13 26.5 0.2 . 1 . . . . 62 LEU CG . 15288 1 796 . 1 1 62 62 LEU N N 15 123.6 0.2 . 1 . . . . 62 LEU N . 15288 1 797 . 1 1 63 63 SER H H 1 7.89 0.02 . 1 . . . . 63 SER H . 15288 1 798 . 1 1 63 63 SER HA H 1 4.14 0.02 . 1 . . . . 63 SER HA . 15288 1 799 . 1 1 63 63 SER HB2 H 1 3.98 0.02 . 2 . . . . 63 SER HB2 . 15288 1 800 . 1 1 63 63 SER HB3 H 1 4.03 0.02 . 2 . . . . 63 SER HB3 . 15288 1 801 . 1 1 63 63 SER C C 13 175.5 0.2 . 1 . . . . 63 SER C . 15288 1 802 . 1 1 63 63 SER CA C 13 61.8 0.2 . 1 . . . . 63 SER CA . 15288 1 803 . 1 1 63 63 SER CB C 13 62.9 0.2 . 1 . . . . 63 SER CB . 15288 1 804 . 1 1 63 63 SER N N 15 114.5 0.2 . 1 . . . . 63 SER N . 15288 1 805 . 1 1 64 64 GLU H H 1 9.63 0.02 . 1 . . . . 64 GLU H . 15288 1 806 . 1 1 64 64 GLU HA H 1 4.47 0.02 . 1 . . . . 64 GLU HA . 15288 1 807 . 1 1 64 64 GLU HB2 H 1 1.88 0.02 . 2 . . . . 64 GLU HB2 . 15288 1 808 . 1 1 64 64 GLU HB3 H 1 2.40 0.02 . 2 . . . . 64 GLU HB3 . 15288 1 809 . 1 1 64 64 GLU HG2 H 1 2.24 0.02 . 2 . . . . 64 GLU HG2 . 15288 1 810 . 1 1 64 64 GLU HG3 H 1 2.31 0.02 . 2 . . . . 64 GLU HG3 . 15288 1 811 . 1 1 64 64 GLU C C 13 175.7 0.2 . 1 . . . . 64 GLU C . 15288 1 812 . 1 1 64 64 GLU CA C 13 55.6 0.2 . 1 . . . . 64 GLU CA . 15288 1 813 . 1 1 64 64 GLU CB C 13 28.4 0.2 . 1 . . . . 64 GLU CB . 15288 1 814 . 1 1 64 64 GLU CG C 13 35.2 0.2 . 1 . . . . 64 GLU CG . 15288 1 815 . 1 1 64 64 GLU N N 15 120.5 0.2 . 1 . . . . 64 GLU N . 15288 1 816 . 1 1 65 65 ILE H H 1 7.59 0.02 . 1 . . . . 65 ILE H . 15288 1 817 . 1 1 65 65 ILE HA H 1 4.30 0.02 . 1 . . . . 65 ILE HA . 15288 1 818 . 1 1 65 65 ILE HB H 1 1.97 0.02 . 1 . . . . 65 ILE HB . 15288 1 819 . 1 1 65 65 ILE HD11 H 1 0.68 0.02 . 1 . . . . 65 ILE HD1 . 15288 1 820 . 1 1 65 65 ILE HD12 H 1 0.68 0.02 . 1 . . . . 65 ILE HD1 . 15288 1 821 . 1 1 65 65 ILE HD13 H 1 0.68 0.02 . 1 . . . . 65 ILE HD1 . 15288 1 822 . 1 1 65 65 ILE HG12 H 1 1.26 0.02 . 2 . . . . 65 ILE HG12 . 15288 1 823 . 1 1 65 65 ILE HG13 H 1 1.47 0.02 . 2 . . . . 65 ILE HG13 . 15288 1 824 . 1 1 65 65 ILE HG21 H 1 0.99 0.02 . 1 . . . . 65 ILE HG2 . 15288 1 825 . 1 1 65 65 ILE HG22 H 1 0.99 0.02 . 1 . . . . 65 ILE HG2 . 15288 1 826 . 1 1 65 65 ILE HG23 H 1 0.99 0.02 . 1 . . . . 65 ILE HG2 . 15288 1 827 . 1 1 65 65 ILE C C 13 175.5 0.2 . 1 . . . . 65 ILE C . 15288 1 828 . 1 1 65 65 ILE CA C 13 58.8 0.2 . 1 . . . . 65 ILE CA . 15288 1 829 . 1 1 65 65 ILE CB C 13 37.4 0.2 . 1 . . . . 65 ILE CB . 15288 1 830 . 1 1 65 65 ILE CD1 C 13 11.4 0.2 . 1 . . . . 65 ILE CD1 . 15288 1 831 . 1 1 65 65 ILE CG1 C 13 26.4 0.2 . 1 . . . . 65 ILE CG1 . 15288 1 832 . 1 1 65 65 ILE CG2 C 13 19.2 0.2 . 1 . . . . 65 ILE CG2 . 15288 1 833 . 1 1 65 65 ILE N N 15 120.6 0.2 . 1 . . . . 65 ILE N . 15288 1 834 . 1 1 66 66 ASP H H 1 8.55 0.02 . 1 . . . . 66 ASP H . 15288 1 835 . 1 1 66 66 ASP HA H 1 4.42 0.02 . 1 . . . . 66 ASP HA . 15288 1 836 . 1 1 66 66 ASP HB2 H 1 2.70 0.02 . 2 . . . . 66 ASP HB2 . 15288 1 837 . 1 1 66 66 ASP HB3 H 1 2.75 0.02 . 2 . . . . 66 ASP HB3 . 15288 1 838 . 1 1 66 66 ASP C C 13 176.0 0.2 . 1 . . . . 66 ASP C . 15288 1 839 . 1 1 66 66 ASP CA C 13 56.4 0.2 . 1 . . . . 66 ASP CA . 15288 1 840 . 1 1 66 66 ASP CB C 13 40.5 0.2 . 1 . . . . 66 ASP CB . 15288 1 841 . 1 1 66 66 ASP N N 15 125.3 0.2 . 1 . . . . 66 ASP N . 15288 1 842 . 1 1 67 67 ASN H H 1 8.08 0.02 . 1 . . . . 67 ASN H . 15288 1 843 . 1 1 67 67 ASN HA H 1 4.91 0.02 . 1 . . . . 67 ASN HA . 15288 1 844 . 1 1 67 67 ASN HB2 H 1 2.68 0.02 . 2 . . . . 67 ASN HB2 . 15288 1 845 . 1 1 67 67 ASN HB3 H 1 2.81 0.02 . 2 . . . . 67 ASN HB3 . 15288 1 846 . 1 1 67 67 ASN HD21 H 1 6.84 0.02 . 2 . . . . 67 ASN HD21 . 15288 1 847 . 1 1 67 67 ASN HD22 H 1 7.64 0.02 . 2 . . . . 67 ASN HD22 . 15288 1 848 . 1 1 67 67 ASN C C 13 175.1 0.2 . 1 . . . . 67 ASN C . 15288 1 849 . 1 1 67 67 ASN CA C 13 53.0 0.2 . 1 . . . . 67 ASN CA . 15288 1 850 . 1 1 67 67 ASN CB C 13 39.8 0.2 . 1 . . . . 67 ASN CB . 15288 1 851 . 1 1 67 67 ASN N N 15 117.4 0.2 . 1 . . . . 67 ASN N . 15288 1 852 . 1 1 67 67 ASN ND2 N 15 112.7 0.2 . 1 . . . . 67 ASN ND2 . 15288 1 853 . 1 1 68 68 THR H H 1 8.88 0.02 . 1 . . . . 68 THR H . 15288 1 854 . 1 1 68 68 THR HA H 1 4.73 0.02 . 1 . . . . 68 THR HA . 15288 1 855 . 1 1 68 68 THR HB H 1 4.46 0.02 . 1 . . . . 68 THR HB . 15288 1 856 . 1 1 68 68 THR HG21 H 1 1.21 0.02 . 1 . . . . 68 THR HG2 . 15288 1 857 . 1 1 68 68 THR HG22 H 1 1.21 0.02 . 1 . . . . 68 THR HG2 . 15288 1 858 . 1 1 68 68 THR HG23 H 1 1.21 0.02 . 1 . . . . 68 THR HG2 . 15288 1 859 . 1 1 68 68 THR C C 13 176.3 0.2 . 1 . . . . 68 THR C . 15288 1 860 . 1 1 68 68 THR CA C 13 60.6 0.2 . 1 . . . . 68 THR CA . 15288 1 861 . 1 1 68 68 THR CB C 13 68.8 0.2 . 1 . . . . 68 THR CB . 15288 1 862 . 1 1 68 68 THR CG2 C 13 22.2 0.2 . 1 . . . . 68 THR CG2 . 15288 1 863 . 1 1 68 68 THR N N 15 114.6 0.2 . 1 . . . . 68 THR N . 15288 1 864 . 1 1 69 69 ASP H H 1 8.47 0.02 . 1 . . . . 69 ASP H . 15288 1 865 . 1 1 69 69 ASP HA H 1 4.26 0.02 . 1 . . . . 69 ASP HA . 15288 1 866 . 1 1 69 69 ASP HB2 H 1 2.66 0.02 . 2 . . . . 69 ASP HB2 . 15288 1 867 . 1 1 69 69 ASP HB3 H 1 2.73 0.02 . 2 . . . . 69 ASP HB3 . 15288 1 868 . 1 1 69 69 ASP C C 13 176.8 0.2 . 1 . . . . 69 ASP C . 15288 1 869 . 1 1 69 69 ASP CA C 13 57.1 0.2 . 1 . . . . 69 ASP CA . 15288 1 870 . 1 1 69 69 ASP CB C 13 40.0 0.2 . 1 . . . . 69 ASP CB . 15288 1 871 . 1 1 69 69 ASP N N 15 122.9 0.2 . 1 . . . . 69 ASP N . 15288 1 872 . 1 1 70 70 ASP H H 1 8.19 0.02 . 1 . . . . 70 ASP H . 15288 1 873 . 1 1 70 70 ASP HA H 1 4.48 0.02 . 1 . . . . 70 ASP HA . 15288 1 874 . 1 1 70 70 ASP HB2 H 1 2.73 0.02 . 2 . . . . 70 ASP HB2 . 15288 1 875 . 1 1 70 70 ASP HB3 H 1 2.90 0.02 . 2 . . . . 70 ASP HB3 . 15288 1 876 . 1 1 70 70 ASP C C 13 175.5 0.2 . 1 . . . . 70 ASP C . 15288 1 877 . 1 1 70 70 ASP CA C 13 53.7 0.2 . 1 . . . . 70 ASP CA . 15288 1 878 . 1 1 70 70 ASP CB C 13 39.6 0.2 . 1 . . . . 70 ASP CB . 15288 1 879 . 1 1 70 70 ASP N N 15 114.7 0.2 . 1 . . . . 70 ASP N . 15288 1 880 . 1 1 71 71 LEU H H 1 7.64 0.02 . 1 . . . . 71 LEU H . 15288 1 881 . 1 1 71 71 LEU HA H 1 4.08 0.02 . 1 . . . . 71 LEU HA . 15288 1 882 . 1 1 71 71 LEU HB2 H 1 1.32 0.02 . 2 . . . . 71 LEU HB2 . 15288 1 883 . 1 1 71 71 LEU HB3 H 1 1.40 0.02 . 2 . . . . 71 LEU HB3 . 15288 1 884 . 1 1 71 71 LEU HD11 H 1 0.15 0.02 . 1 . . . . 71 LEU HD1 . 15288 1 885 . 1 1 71 71 LEU HD12 H 1 0.15 0.02 . 1 . . . . 71 LEU HD1 . 15288 1 886 . 1 1 71 71 LEU HD13 H 1 0.15 0.02 . 1 . . . . 71 LEU HD1 . 15288 1 887 . 1 1 71 71 LEU HD21 H 1 0.24 0.02 . 1 . . . . 71 LEU HD2 . 15288 1 888 . 1 1 71 71 LEU HD22 H 1 0.24 0.02 . 1 . . . . 71 LEU HD2 . 15288 1 889 . 1 1 71 71 LEU HD23 H 1 0.24 0.02 . 1 . . . . 71 LEU HD2 . 15288 1 890 . 1 1 71 71 LEU HG H 1 1.03 0.02 . 1 . . . . 71 LEU HG . 15288 1 891 . 1 1 71 71 LEU C C 13 173.8 0.2 . 1 . . . . 71 LEU C . 15288 1 892 . 1 1 71 71 LEU CA C 13 55.2 0.2 . 1 . . . . 71 LEU CA . 15288 1 893 . 1 1 71 71 LEU CB C 13 42.0 0.2 . 1 . . . . 71 LEU CB . 15288 1 894 . 1 1 71 71 LEU CD1 C 13 25.2 0.2 . 1 . . . . 71 LEU CD1 . 15288 1 895 . 1 1 71 71 LEU CD2 C 13 25.2 0.2 . 1 . . . . 71 LEU CD2 . 15288 1 896 . 1 1 71 71 LEU CG C 13 27.2 0.2 . 1 . . . . 71 LEU CG . 15288 1 897 . 1 1 71 71 LEU N N 15 124.9 0.2 . 1 . . . . 71 LEU N . 15288 1 898 . 1 1 72 72 LYS H H 1 7.04 0.02 . 1 . . . . 72 LYS H . 15288 1 899 . 1 1 72 72 LYS HA H 1 4.56 0.02 . 1 . . . . 72 LYS HA . 15288 1 900 . 1 1 72 72 LYS HB2 H 1 1.40 0.02 . 2 . . . . 72 LYS HB2 . 15288 1 901 . 1 1 72 72 LYS HB3 H 1 1.84 0.02 . 2 . . . . 72 LYS HB3 . 15288 1 902 . 1 1 72 72 LYS HD2 H 1 1.57 0.02 . 2 . . . . 72 LYS HD2 . 15288 1 903 . 1 1 72 72 LYS HD3 H 1 1.61 0.02 . 2 . . . . 72 LYS HD3 . 15288 1 904 . 1 1 72 72 LYS HE2 H 1 2.94 0.02 . 2 . . . . 72 LYS HE2 . 15288 1 905 . 1 1 72 72 LYS HE3 H 1 2.96 0.02 . 2 . . . . 72 LYS HE3 . 15288 1 906 . 1 1 72 72 LYS HG2 H 1 1.17 0.02 . 2 . . . . 72 LYS HG2 . 15288 1 907 . 1 1 72 72 LYS HG3 H 1 1.24 0.02 . 2 . . . . 72 LYS HG3 . 15288 1 908 . 1 1 72 72 LYS C C 13 174.9 0.2 . 1 . . . . 72 LYS C . 15288 1 909 . 1 1 72 72 LYS CA C 13 53.7 0.2 . 1 . . . . 72 LYS CA . 15288 1 910 . 1 1 72 72 LYS CB C 13 36.7 0.2 . 1 . . . . 72 LYS CB . 15288 1 911 . 1 1 72 72 LYS CD C 13 29.2 0.2 . 1 . . . . 72 LYS CD . 15288 1 912 . 1 1 72 72 LYS CE C 13 42.2 0.2 . 1 . . . . 72 LYS CE . 15288 1 913 . 1 1 72 72 LYS CG C 13 24.3 0.2 . 1 . . . . 72 LYS CG . 15288 1 914 . 1 1 72 72 LYS N N 15 120.8 0.2 . 1 . . . . 72 LYS N . 15288 1 915 . 1 1 73 73 ARG H H 1 8.52 0.02 . 1 . . . . 73 ARG H . 15288 1 916 . 1 1 73 73 ARG HA H 1 3.73 0.02 . 1 . . . . 73 ARG HA . 15288 1 917 . 1 1 73 73 ARG HB2 H 1 1.52 0.02 . 2 . . . . 73 ARG HB2 . 15288 1 918 . 1 1 73 73 ARG HB3 H 1 1.64 0.02 . 2 . . . . 73 ARG HB3 . 15288 1 919 . 1 1 73 73 ARG HD2 H 1 3.10 0.02 . 2 . . . . 73 ARG HD2 . 15288 1 920 . 1 1 73 73 ARG HD3 H 1 3.15 0.02 . 2 . . . . 73 ARG HD3 . 15288 1 921 . 1 1 73 73 ARG HE H 1 7.06 0.02 . 1 . . . . 73 ARG HE . 15288 1 922 . 1 1 73 73 ARG HG2 H 1 1.29 0.02 . 2 . . . . 73 ARG HG2 . 15288 1 923 . 1 1 73 73 ARG HG3 H 1 1.58 0.02 . 2 . . . . 73 ARG HG3 . 15288 1 924 . 1 1 73 73 ARG C C 13 176.6 0.2 . 1 . . . . 73 ARG C . 15288 1 925 . 1 1 73 73 ARG CA C 13 57.4 0.2 . 1 . . . . 73 ARG CA . 15288 1 926 . 1 1 73 73 ARG CB C 13 30.4 0.2 . 1 . . . . 73 ARG CB . 15288 1 927 . 1 1 73 73 ARG CD C 13 44.0 0.2 . 1 . . . . 73 ARG CD . 15288 1 928 . 1 1 73 73 ARG CG C 13 26.8 0.2 . 1 . . . . 73 ARG CG . 15288 1 929 . 1 1 73 73 ARG N N 15 119.1 0.2 . 1 . . . . 73 ARG N . 15288 1 930 . 1 1 73 73 ARG NE N 15 84.2 0.2 . 1 . . . . 73 ARG NE . 15288 1 931 . 1 1 74 74 GLY H H 1 9.50 0.02 . 1 . . . . 74 GLY H . 15288 1 932 . 1 1 74 74 GLY HA2 H 1 3.85 0.02 . 2 . . . . 74 GLY HA2 . 15288 1 933 . 1 1 74 74 GLY HA3 H 1 4.24 0.02 . 2 . . . . 74 GLY HA3 . 15288 1 934 . 1 1 74 74 GLY C C 13 174.5 0.2 . 1 . . . . 74 GLY C . 15288 1 935 . 1 1 74 74 GLY CA C 13 44.7 0.2 . 1 . . . . 74 GLY CA . 15288 1 936 . 1 1 74 74 GLY N N 15 112.4 0.2 . 1 . . . . 74 GLY N . 15288 1 937 . 1 1 75 75 GLU H H 1 7.41 0.02 . 1 . . . . 75 GLU H . 15288 1 938 . 1 1 75 75 GLU HA H 1 4.32 0.02 . 1 . . . . 75 GLU HA . 15288 1 939 . 1 1 75 75 GLU HB2 H 1 1.87 0.02 . 2 . . . . 75 GLU HB2 . 15288 1 940 . 1 1 75 75 GLU HB3 H 1 2.11 0.02 . 2 . . . . 75 GLU HB3 . 15288 1 941 . 1 1 75 75 GLU HG2 H 1 2.42 0.02 . 2 . . . . 75 GLU HG2 . 15288 1 942 . 1 1 75 75 GLU HG3 H 1 2.46 0.02 . 2 . . . . 75 GLU HG3 . 15288 1 943 . 1 1 75 75 GLU C C 13 173.9 0.2 . 1 . . . . 75 GLU C . 15288 1 944 . 1 1 75 75 GLU CA C 13 55.8 0.2 . 1 . . . . 75 GLU CA . 15288 1 945 . 1 1 75 75 GLU CB C 13 29.4 0.2 . 1 . . . . 75 GLU CB . 15288 1 946 . 1 1 75 75 GLU CG C 13 34.5 0.2 . 1 . . . . 75 GLU CG . 15288 1 947 . 1 1 75 75 GLU N N 15 117.2 0.2 . 1 . . . . 75 GLU N . 15288 1 948 . 1 1 76 76 LYS H H 1 8.53 0.02 . 1 . . . . 76 LYS H . 15288 1 949 . 1 1 76 76 LYS HA H 1 4.42 0.02 . 1 . . . . 76 LYS HA . 15288 1 950 . 1 1 76 76 LYS HB2 H 1 1.30 0.02 . 2 . . . . 76 LYS HB2 . 15288 1 951 . 1 1 76 76 LYS HB3 H 1 1.73 0.02 . 2 . . . . 76 LYS HB3 . 15288 1 952 . 1 1 76 76 LYS HD2 H 1 1.34 0.02 . 2 . . . . 76 LYS HD2 . 15288 1 953 . 1 1 76 76 LYS HD3 H 1 1.39 0.02 . 2 . . . . 76 LYS HD3 . 15288 1 954 . 1 1 76 76 LYS HE2 H 1 2.49 0.02 . 2 . . . . 76 LYS HE2 . 15288 1 955 . 1 1 76 76 LYS HE3 H 1 2.51 0.02 . 2 . . . . 76 LYS HE3 . 15288 1 956 . 1 1 76 76 LYS HG2 H 1 0.10 0.02 . 2 . . . . 76 LYS HG2 . 15288 1 957 . 1 1 76 76 LYS HG3 H 1 0.76 0.02 . 2 . . . . 76 LYS HG3 . 15288 1 958 . 1 1 76 76 LYS C C 13 175.3 0.2 . 1 . . . . 76 LYS C . 15288 1 959 . 1 1 76 76 LYS CA C 13 55.3 0.2 . 1 . . . . 76 LYS CA . 15288 1 960 . 1 1 76 76 LYS CB C 13 33.9 0.2 . 1 . . . . 76 LYS CB . 15288 1 961 . 1 1 76 76 LYS CD C 13 29.6 0.2 . 1 . . . . 76 LYS CD . 15288 1 962 . 1 1 76 76 LYS CE C 13 42.1 0.2 . 1 . . . . 76 LYS CE . 15288 1 963 . 1 1 76 76 LYS CG C 13 25.4 0.2 . 1 . . . . 76 LYS CG . 15288 1 964 . 1 1 76 76 LYS N N 15 125.2 0.2 . 1 . . . . 76 LYS N . 15288 1 965 . 1 1 77 77 ILE H H 1 8.97 0.02 . 1 . . . . 77 ILE H . 15288 1 966 . 1 1 77 77 ILE HA H 1 5.36 0.02 . 1 . . . . 77 ILE HA . 15288 1 967 . 1 1 77 77 ILE HB H 1 1.76 0.02 . 1 . . . . 77 ILE HB . 15288 1 968 . 1 1 77 77 ILE HD11 H 1 0.33 0.02 . 1 . . . . 77 ILE HD1 . 15288 1 969 . 1 1 77 77 ILE HD12 H 1 0.33 0.02 . 1 . . . . 77 ILE HD1 . 15288 1 970 . 1 1 77 77 ILE HD13 H 1 0.33 0.02 . 1 . . . . 77 ILE HD1 . 15288 1 971 . 1 1 77 77 ILE HG12 H 1 0.80 0.02 . 2 . . . . 77 ILE HG12 . 15288 1 972 . 1 1 77 77 ILE HG13 H 1 1.09 0.02 . 2 . . . . 77 ILE HG13 . 15288 1 973 . 1 1 77 77 ILE HG21 H 1 0.72 0.02 . 1 . . . . 77 ILE HG2 . 15288 1 974 . 1 1 77 77 ILE HG22 H 1 0.72 0.02 . 1 . . . . 77 ILE HG2 . 15288 1 975 . 1 1 77 77 ILE HG23 H 1 0.72 0.02 . 1 . . . . 77 ILE HG2 . 15288 1 976 . 1 1 77 77 ILE C C 13 172.2 0.2 . 1 . . . . 77 ILE C . 15288 1 977 . 1 1 77 77 ILE CA C 13 58.6 0.2 . 1 . . . . 77 ILE CA . 15288 1 978 . 1 1 77 77 ILE CB C 13 42.7 0.2 . 1 . . . . 77 ILE CB . 15288 1 979 . 1 1 77 77 ILE CD1 C 13 14.5 0.2 . 1 . . . . 77 ILE CD1 . 15288 1 980 . 1 1 77 77 ILE CG1 C 13 24.6 0.2 . 1 . . . . 77 ILE CG1 . 15288 1 981 . 1 1 77 77 ILE CG2 C 13 17.7 0.2 . 1 . . . . 77 ILE CG2 . 15288 1 982 . 1 1 77 77 ILE N N 15 119.4 0.2 . 1 . . . . 77 ILE N . 15288 1 983 . 1 1 78 78 LYS H H 1 8.75 0.02 . 1 . . . . 78 LYS H . 15288 1 984 . 1 1 78 78 LYS HA H 1 5.07 0.02 . 1 . . . . 78 LYS HA . 15288 1 985 . 1 1 78 78 LYS HB2 H 1 1.32 0.02 . 2 . . . . 78 LYS HB2 . 15288 1 986 . 1 1 78 78 LYS HB3 H 1 1.56 0.02 . 2 . . . . 78 LYS HB3 . 15288 1 987 . 1 1 78 78 LYS HD2 H 1 1.25 0.02 . 2 . . . . 78 LYS HD2 . 15288 1 988 . 1 1 78 78 LYS HD3 H 1 1.31 0.02 . 2 . . . . 78 LYS HD3 . 15288 1 989 . 1 1 78 78 LYS HE2 H 1 2.22 0.02 . 2 . . . . 78 LYS HE2 . 15288 1 990 . 1 1 78 78 LYS HE3 H 1 2.39 0.02 . 2 . . . . 78 LYS HE3 . 15288 1 991 . 1 1 78 78 LYS HG2 H 1 -0.21 0.02 . 2 . . . . 78 LYS HG2 . 15288 1 992 . 1 1 78 78 LYS HG3 H 1 0.60 0.02 . 2 . . . . 78 LYS HG3 . 15288 1 993 . 1 1 78 78 LYS C C 13 175.4 0.2 . 1 . . . . 78 LYS C . 15288 1 994 . 1 1 78 78 LYS CA C 13 53.9 0.2 . 1 . . . . 78 LYS CA . 15288 1 995 . 1 1 78 78 LYS CB C 13 36.1 0.2 . 1 . . . . 78 LYS CB . 15288 1 996 . 1 1 78 78 LYS CD C 13 29.9 0.2 . 1 . . . . 78 LYS CD . 15288 1 997 . 1 1 78 78 LYS CE C 13 41.8 0.2 . 1 . . . . 78 LYS CE . 15288 1 998 . 1 1 78 78 LYS CG C 13 24.6 0.2 . 1 . . . . 78 LYS CG . 15288 1 999 . 1 1 78 78 LYS N N 15 121.7 0.2 . 1 . . . . 78 LYS N . 15288 1 1000 . 1 1 79 79 VAL H H 1 8.72 0.02 . 1 . . . . 79 VAL H . 15288 1 1001 . 1 1 79 79 VAL HA H 1 5.35 0.02 . 1 . . . . 79 VAL HA . 15288 1 1002 . 1 1 79 79 VAL HB H 1 2.25 0.02 . 1 . . . . 79 VAL HB . 15288 1 1003 . 1 1 79 79 VAL HG11 H 1 0.84 0.02 . 1 . . . . 79 VAL HG1 . 15288 1 1004 . 1 1 79 79 VAL HG12 H 1 0.84 0.02 . 1 . . . . 79 VAL HG1 . 15288 1 1005 . 1 1 79 79 VAL HG13 H 1 0.84 0.02 . 1 . . . . 79 VAL HG1 . 15288 1 1006 . 1 1 79 79 VAL HG21 H 1 0.75 0.02 . 1 . . . . 79 VAL HG2 . 15288 1 1007 . 1 1 79 79 VAL HG22 H 1 0.75 0.02 . 1 . . . . 79 VAL HG2 . 15288 1 1008 . 1 1 79 79 VAL HG23 H 1 0.75 0.02 . 1 . . . . 79 VAL HG2 . 15288 1 1009 . 1 1 79 79 VAL C C 13 173.4 0.2 . 1 . . . . 79 VAL C . 15288 1 1010 . 1 1 79 79 VAL CA C 13 58.3 0.2 . 1 . . . . 79 VAL CA . 15288 1 1011 . 1 1 79 79 VAL CB C 13 34.3 0.2 . 1 . . . . 79 VAL CB . 15288 1 1012 . 1 1 79 79 VAL CG1 C 13 23.0 0.2 . 1 . . . . 79 VAL CG1 . 15288 1 1013 . 1 1 79 79 VAL CG2 C 13 18.8 0.2 . 1 . . . . 79 VAL CG2 . 15288 1 1014 . 1 1 79 79 VAL N N 15 115.5 0.2 . 1 . . . . 79 VAL N . 15288 1 1015 . 1 1 80 80 TRP H H 1 8.27 0.02 . 1 . . . . 80 TRP H . 15288 1 1016 . 1 1 80 80 TRP HA H 1 5.58 0.02 . 1 . . . . 80 TRP HA . 15288 1 1017 . 1 1 80 80 TRP HB2 H 1 2.86 0.02 . 2 . . . . 80 TRP HB2 . 15288 1 1018 . 1 1 80 80 TRP HB3 H 1 3.18 0.02 . 2 . . . . 80 TRP HB3 . 15288 1 1019 . 1 1 80 80 TRP HD1 H 1 6.81 0.02 . 1 . . . . 80 TRP HD1 . 15288 1 1020 . 1 1 80 80 TRP HE1 H 1 10.23 0.02 . 1 . . . . 80 TRP HE1 . 15288 1 1021 . 1 1 80 80 TRP HE3 H 1 7.36 0.02 . 1 . . . . 80 TRP HE3 . 15288 1 1022 . 1 1 80 80 TRP HH2 H 1 7.12 0.02 . 1 . . . . 80 TRP HH2 . 15288 1 1023 . 1 1 80 80 TRP HZ2 H 1 7.36 0.02 . 1 . . . . 80 TRP HZ2 . 15288 1 1024 . 1 1 80 80 TRP HZ3 H 1 6.74 0.02 . 1 . . . . 80 TRP HZ3 . 15288 1 1025 . 1 1 80 80 TRP C C 13 175.6 0.2 . 1 . . . . 80 TRP C . 15288 1 1026 . 1 1 80 80 TRP CA C 13 56.7 0.2 . 1 . . . . 80 TRP CA . 15288 1 1027 . 1 1 80 80 TRP CB C 13 33.9 0.2 . 1 . . . . 80 TRP CB . 15288 1 1028 . 1 1 80 80 TRP CD1 C 13 126.8 0.2 . 1 . . . . 80 TRP CD1 . 15288 1 1029 . 1 1 80 80 TRP CE3 C 13 121.1 0.2 . 1 . . . . 80 TRP CE3 . 15288 1 1030 . 1 1 80 80 TRP CH2 C 13 123.7 0.2 . 1 . . . . 80 TRP CH2 . 15288 1 1031 . 1 1 80 80 TRP CZ2 C 13 114.4 0.2 . 1 . . . . 80 TRP CZ2 . 15288 1 1032 . 1 1 80 80 TRP CZ3 C 13 121.2 0.2 . 1 . . . . 80 TRP CZ3 . 15288 1 1033 . 1 1 80 80 TRP N N 15 119.8 0.2 . 1 . . . . 80 TRP N . 15288 1 1034 . 1 1 80 80 TRP NE1 N 15 129.3 0.2 . 1 . . . . 80 TRP NE1 . 15288 1 1035 . 1 1 81 81 PHE H H 1 8.45 0.02 . 1 . . . . 81 PHE H . 15288 1 1036 . 1 1 81 81 PHE HA H 1 5.44 0.02 . 1 . . . . 81 PHE HA . 15288 1 1037 . 1 1 81 81 PHE HB2 H 1 3.01 0.02 . 2 . . . . 81 PHE HB2 . 15288 1 1038 . 1 1 81 81 PHE HB3 H 1 3.07 0.02 . 2 . . . . 81 PHE HB3 . 15288 1 1039 . 1 1 81 81 PHE HD1 H 1 6.58 0.02 . 3 . . . . 81 PHE HD1 . 15288 1 1040 . 1 1 81 81 PHE HE1 H 1 6.85 0.02 . 3 . . . . 81 PHE HE1 . 15288 1 1041 . 1 1 81 81 PHE HZ H 1 7.01 0.02 . 1 . . . . 81 PHE HZ . 15288 1 1042 . 1 1 81 81 PHE C C 13 173.4 0.2 . 1 . . . . 81 PHE C . 15288 1 1043 . 1 1 81 81 PHE CA C 13 54.8 0.2 . 1 . . . . 81 PHE CA . 15288 1 1044 . 1 1 81 81 PHE CB C 13 41.2 0.2 . 1 . . . . 81 PHE CB . 15288 1 1045 . 1 1 81 81 PHE CD1 C 13 132.5 0.2 . 3 . . . . 81 PHE CD1 . 15288 1 1046 . 1 1 81 81 PHE CE1 C 13 130.2 0.2 . 3 . . . . 81 PHE CE1 . 15288 1 1047 . 1 1 81 81 PHE CZ C 13 129.0 0.2 . 1 . . . . 81 PHE CZ . 15288 1 1048 . 1 1 81 81 PHE N N 15 117.8 0.2 . 1 . . . . 81 PHE N . 15288 1 1049 . 1 1 82 82 HIS H H 1 9.08 0.02 . 1 . . . . 82 HIS H . 15288 1 1050 . 1 1 82 82 HIS HA H 1 4.93 0.02 . 1 . . . . 82 HIS HA . 15288 1 1051 . 1 1 82 82 HIS HB2 H 1 3.36 0.02 . 2 . . . . 82 HIS HB2 . 15288 1 1052 . 1 1 82 82 HIS HB3 H 1 3.42 0.02 . 2 . . . . 82 HIS HB3 . 15288 1 1053 . 1 1 82 82 HIS C C 13 175.4 0.2 . 1 . . . . 82 HIS C . 15288 1 1054 . 1 1 82 82 HIS CA C 13 57.7 0.2 . 1 . . . . 82 HIS CA . 15288 1 1055 . 1 1 82 82 HIS CB C 13 29.5 0.2 . 1 . . . . 82 HIS CB . 15288 1 1056 . 1 1 82 82 HIS N N 15 117.4 0.2 . 1 . . . . 82 HIS N . 15288 1 1057 . 1 1 83 83 THR H H 1 8.42 0.02 . 1 . . . . 83 THR H . 15288 1 1058 . 1 1 83 83 THR HA H 1 4.68 0.02 . 1 . . . . 83 THR HA . 15288 1 1059 . 1 1 83 83 THR HB H 1 4.08 0.02 . 1 . . . . 83 THR HB . 15288 1 1060 . 1 1 83 83 THR HG21 H 1 1.18 0.02 . 1 . . . . 83 THR HG2 . 15288 1 1061 . 1 1 83 83 THR HG22 H 1 1.18 0.02 . 1 . . . . 83 THR HG2 . 15288 1 1062 . 1 1 83 83 THR HG23 H 1 1.18 0.02 . 1 . . . . 83 THR HG2 . 15288 1 1063 . 1 1 83 83 THR C C 13 172.3 0.2 . 1 . . . . 83 THR C . 15288 1 1064 . 1 1 83 83 THR CA C 13 61.2 0.2 . 1 . . . . 83 THR CA . 15288 1 1065 . 1 1 83 83 THR CB C 13 71.5 0.2 . 1 . . . . 83 THR CB . 15288 1 1066 . 1 1 83 83 THR CG2 C 13 21.5 0.2 . 1 . . . . 83 THR CG2 . 15288 1 1067 . 1 1 83 83 THR N N 15 113.2 0.2 . 1 . . . . 83 THR N . 15288 1 1068 . 1 1 84 84 ARG H H 1 8.85 0.02 . 1 . . . . 84 ARG H . 15288 1 1069 . 1 1 84 84 ARG HA H 1 4.69 0.02 . 1 . . . . 84 ARG HA . 15288 1 1070 . 1 1 84 84 ARG HB2 H 1 1.59 0.02 . 2 . . . . 84 ARG HB2 . 15288 1 1071 . 1 1 84 84 ARG HB3 H 1 1.75 0.02 . 2 . . . . 84 ARG HB3 . 15288 1 1072 . 1 1 84 84 ARG HD2 H 1 2.94 0.02 . 2 . . . . 84 ARG HD2 . 15288 1 1073 . 1 1 84 84 ARG HD3 H 1 3.04 0.02 . 2 . . . . 84 ARG HD3 . 15288 1 1074 . 1 1 84 84 ARG HE H 1 7.76 0.02 . 1 . . . . 84 ARG HE . 15288 1 1075 . 1 1 84 84 ARG HG2 H 1 1.34 0.02 . 2 . . . . 84 ARG HG2 . 15288 1 1076 . 1 1 84 84 ARG HG3 H 1 1.43 0.02 . 2 . . . . 84 ARG HG3 . 15288 1 1077 . 1 1 84 84 ARG C C 13 174.9 0.2 . 1 . . . . 84 ARG C . 15288 1 1078 . 1 1 84 84 ARG CA C 13 54.4 0.2 . 1 . . . . 84 ARG CA . 15288 1 1079 . 1 1 84 84 ARG CB C 13 33.0 0.2 . 1 . . . . 84 ARG CB . 15288 1 1080 . 1 1 84 84 ARG CD C 13 43.7 0.2 . 1 . . . . 84 ARG CD . 15288 1 1081 . 1 1 84 84 ARG CG C 13 26.8 0.2 . 1 . . . . 84 ARG CG . 15288 1 1082 . 1 1 84 84 ARG N N 15 125.4 0.2 . 1 . . . . 84 ARG N . 15288 1 1083 . 1 1 84 84 ARG NE N 15 85.2 0.2 . 1 . . . . 84 ARG NE . 15288 1 1084 . 1 1 85 85 LYS H H 1 9.08 0.02 . 1 . . . . 85 LYS H . 15288 1 1085 . 1 1 85 85 LYS HA H 1 4.44 0.02 . 1 . . . . 85 LYS HA . 15288 1 1086 . 1 1 85 85 LYS HB2 H 1 1.76 0.02 . 2 . . . . 85 LYS HB2 . 15288 1 1087 . 1 1 85 85 LYS HB3 H 1 1.81 0.02 . 2 . . . . 85 LYS HB3 . 15288 1 1088 . 1 1 85 85 LYS HD2 H 1 1.59 0.02 . 2 . . . . 85 LYS HD2 . 15288 1 1089 . 1 1 85 85 LYS HD3 H 1 1.63 0.02 . 2 . . . . 85 LYS HD3 . 15288 1 1090 . 1 1 85 85 LYS HE2 H 1 2.96 0.02 . 2 . . . . 85 LYS HE2 . 15288 1 1091 . 1 1 85 85 LYS HE3 H 1 2.98 0.02 . 2 . . . . 85 LYS HE3 . 15288 1 1092 . 1 1 85 85 LYS HG2 H 1 1.31 0.02 . 2 . . . . 85 LYS HG2 . 15288 1 1093 . 1 1 85 85 LYS HG3 H 1 1.38 0.02 . 2 . . . . 85 LYS HG3 . 15288 1 1094 . 1 1 85 85 LYS C C 13 177.0 0.2 . 1 . . . . 85 LYS C . 15288 1 1095 . 1 1 85 85 LYS CA C 13 55.4 0.2 . 1 . . . . 85 LYS CA . 15288 1 1096 . 1 1 85 85 LYS CB C 13 33.2 0.2 . 1 . . . . 85 LYS CB . 15288 1 1097 . 1 1 85 85 LYS CD C 13 28.9 0.2 . 1 . . . . 85 LYS CD . 15288 1 1098 . 1 1 85 85 LYS CE C 13 42.0 0.2 . 1 . . . . 85 LYS CE . 15288 1 1099 . 1 1 85 85 LYS CG C 13 24.8 0.2 . 1 . . . . 85 LYS CG . 15288 1 1100 . 1 1 85 85 LYS N N 15 125.4 0.2 . 1 . . . . 85 LYS N . 15288 1 1101 . 1 1 86 86 GLU H H 1 8.79 0.02 . 1 . . . . 86 GLU H . 15288 1 1102 . 1 1 86 86 GLU HA H 1 4.57 0.02 . 1 . . . . 86 GLU HA . 15288 1 1103 . 1 1 86 86 GLU HB2 H 1 1.86 0.02 . 2 . . . . 86 GLU HB2 . 15288 1 1104 . 1 1 86 86 GLU HB3 H 1 2.18 0.02 . 2 . . . . 86 GLU HB3 . 15288 1 1105 . 1 1 86 86 GLU HG2 H 1 2.31 0.02 . 2 . . . . 86 GLU HG2 . 15288 1 1106 . 1 1 86 86 GLU HG3 H 1 2.41 0.02 . 2 . . . . 86 GLU HG3 . 15288 1 1107 . 1 1 86 86 GLU C C 13 176.7 0.2 . 1 . . . . 86 GLU C . 15288 1 1108 . 1 1 86 86 GLU CA C 13 55.2 0.2 . 1 . . . . 86 GLU CA . 15288 1 1109 . 1 1 86 86 GLU CB C 13 26.9 0.2 . 1 . . . . 86 GLU CB . 15288 1 1110 . 1 1 86 86 GLU CG C 13 34.6 0.2 . 1 . . . . 86 GLU CG . 15288 1 1111 . 1 1 86 86 GLU N N 15 126.3 0.2 . 1 . . . . 86 GLU N . 15288 1 1112 . 1 1 87 87 SER H H 1 7.69 0.02 . 1 . . . . 87 SER H . 15288 1 1113 . 1 1 87 87 SER HA H 1 4.35 0.02 . 1 . . . . 87 SER HA . 15288 1 1114 . 1 1 87 87 SER HB2 H 1 3.62 0.02 . 2 . . . . 87 SER HB2 . 15288 1 1115 . 1 1 87 87 SER HB3 H 1 3.98 0.02 . 2 . . . . 87 SER HB3 . 15288 1 1116 . 1 1 87 87 SER C C 13 172.4 0.2 . 1 . . . . 87 SER C . 15288 1 1117 . 1 1 87 87 SER CA C 13 57.1 0.2 . 1 . . . . 87 SER CA . 15288 1 1118 . 1 1 87 87 SER CB C 13 64.9 0.2 . 1 . . . . 87 SER CB . 15288 1 1119 . 1 1 87 87 SER N N 15 114.7 0.2 . 1 . . . . 87 SER N . 15288 1 1120 . 1 1 88 88 ASN H H 1 8.42 0.02 . 1 . . . . 88 ASN H . 15288 1 1121 . 1 1 88 88 ASN HA H 1 5.04 0.02 . 1 . . . . 88 ASN HA . 15288 1 1122 . 1 1 88 88 ASN HB2 H 1 2.60 0.02 . 2 . . . . 88 ASN HB2 . 15288 1 1123 . 1 1 88 88 ASN HB3 H 1 2.84 0.02 . 2 . . . . 88 ASN HB3 . 15288 1 1124 . 1 1 88 88 ASN HD21 H 1 6.85 0.02 . 2 . . . . 88 ASN HD21 . 15288 1 1125 . 1 1 88 88 ASN HD22 H 1 7.57 0.02 . 2 . . . . 88 ASN HD22 . 15288 1 1126 . 1 1 88 88 ASN C C 13 172.7 0.2 . 1 . . . . 88 ASN C . 15288 1 1127 . 1 1 88 88 ASN CA C 13 49.9 0.2 . 1 . . . . 88 ASN CA . 15288 1 1128 . 1 1 88 88 ASN CB C 13 40.0 0.2 . 1 . . . . 88 ASN CB . 15288 1 1129 . 1 1 88 88 ASN N N 15 117.1 0.2 . 1 . . . . 88 ASN N . 15288 1 1130 . 1 1 88 88 ASN ND2 N 15 112.3 0.2 . 1 . . . . 88 ASN ND2 . 15288 1 1131 . 1 1 89 89 PRO HA H 1 5.14 0.02 . 1 . . . . 89 PRO HA . 15288 1 1132 . 1 1 89 89 PRO HB2 H 1 2.01 0.02 . 2 . . . . 89 PRO HB2 . 15288 1 1133 . 1 1 89 89 PRO HB3 H 1 2.41 0.02 . 2 . . . . 89 PRO HB3 . 15288 1 1134 . 1 1 89 89 PRO HD2 H 1 3.46 0.02 . 2 . . . . 89 PRO HD2 . 15288 1 1135 . 1 1 89 89 PRO HD3 H 1 3.57 0.02 . 2 . . . . 89 PRO HD3 . 15288 1 1136 . 1 1 89 89 PRO HG2 H 1 1.71 0.02 . 2 . . . . 89 PRO HG2 . 15288 1 1137 . 1 1 89 89 PRO HG3 H 1 1.85 0.02 . 2 . . . . 89 PRO HG3 . 15288 1 1138 . 1 1 89 89 PRO C C 13 173.7 0.2 . 1 . . . . 89 PRO C . 15288 1 1139 . 1 1 89 89 PRO CA C 13 62.7 0.2 . 1 . . . . 89 PRO CA . 15288 1 1140 . 1 1 89 89 PRO CB C 13 33.1 0.2 . 1 . . . . 89 PRO CB . 15288 1 1141 . 1 1 89 89 PRO CD C 13 50.3 0.2 . 1 . . . . 89 PRO CD . 15288 1 1142 . 1 1 89 89 PRO CG C 13 25.0 0.2 . 1 . . . . 89 PRO CG . 15288 1 1143 . 1 1 90 90 PRO HA H 1 4.48 0.02 . 1 . . . . 90 PRO HA . 15288 1 1144 . 1 1 90 90 PRO HB2 H 1 1.73 0.02 . 2 . . . . 90 PRO HB2 . 15288 1 1145 . 1 1 90 90 PRO HB3 H 1 2.36 0.02 . 2 . . . . 90 PRO HB3 . 15288 1 1146 . 1 1 90 90 PRO HD2 H 1 3.90 0.02 . 2 . . . . 90 PRO HD2 . 15288 1 1147 . 1 1 90 90 PRO HD3 H 1 3.92 0.02 . 2 . . . . 90 PRO HD3 . 15288 1 1148 . 1 1 90 90 PRO HG2 H 1 2.12 0.02 . 2 . . . . 90 PRO HG2 . 15288 1 1149 . 1 1 90 90 PRO HG3 H 1 2.18 0.02 . 2 . . . . 90 PRO HG3 . 15288 1 1150 . 1 1 90 90 PRO C C 13 173.9 0.2 . 1 . . . . 90 PRO C . 15288 1 1151 . 1 1 90 90 PRO CA C 13 63.5 0.2 . 1 . . . . 90 PRO CA . 15288 1 1152 . 1 1 90 90 PRO CB C 13 32.6 0.2 . 1 . . . . 90 PRO CB . 15288 1 1153 . 1 1 90 90 PRO CD C 13 50.8 0.2 . 1 . . . . 90 PRO CD . 15288 1 1154 . 1 1 90 90 PRO CG C 13 27.9 0.2 . 1 . . . . 90 PRO CG . 15288 1 1155 . 1 1 91 91 SER H H 1 7.92 0.02 . 1 . . . . 91 SER H . 15288 1 1156 . 1 1 91 91 SER HA H 1 5.66 0.02 . 1 . . . . 91 SER HA . 15288 1 1157 . 1 1 91 91 SER HB2 H 1 3.61 0.02 . 2 . . . . 91 SER HB2 . 15288 1 1158 . 1 1 91 91 SER HB3 H 1 3.66 0.02 . 2 . . . . 91 SER HB3 . 15288 1 1159 . 1 1 91 91 SER C C 13 172.7 0.2 . 1 . . . . 91 SER C . 15288 1 1160 . 1 1 91 91 SER CA C 13 55.6 0.2 . 1 . . . . 91 SER CA . 15288 1 1161 . 1 1 91 91 SER CB C 13 67.1 0.2 . 1 . . . . 91 SER CB . 15288 1 1162 . 1 1 91 91 SER N N 15 112.0 0.2 . 1 . . . . 91 SER N . 15288 1 1163 . 1 1 92 92 ALA H H 1 8.26 0.02 . 1 . . . . 92 ALA H . 15288 1 1164 . 1 1 92 92 ALA HA H 1 4.59 0.02 . 1 . . . . 92 ALA HA . 15288 1 1165 . 1 1 92 92 ALA HB1 H 1 0.47 0.02 . 1 . . . . 92 ALA HB . 15288 1 1166 . 1 1 92 92 ALA HB2 H 1 0.47 0.02 . 1 . . . . 92 ALA HB . 15288 1 1167 . 1 1 92 92 ALA HB3 H 1 0.47 0.02 . 1 . . . . 92 ALA HB . 15288 1 1168 . 1 1 92 92 ALA C C 13 176.5 0.2 . 1 . . . . 92 ALA C . 15288 1 1169 . 1 1 92 92 ALA CA C 13 51.4 0.2 . 1 . . . . 92 ALA CA . 15288 1 1170 . 1 1 92 92 ALA CB C 13 21.5 0.2 . 1 . . . . 92 ALA CB . 15288 1 1171 . 1 1 92 92 ALA N N 15 121.0 0.2 . 1 . . . . 92 ALA N . 15288 1 1172 . 1 1 93 93 THR H H 1 9.44 0.02 . 1 . . . . 93 THR H . 15288 1 1173 . 1 1 93 93 THR HA H 1 4.34 0.02 . 1 . . . . 93 THR HA . 15288 1 1174 . 1 1 93 93 THR HB H 1 4.12 0.02 . 1 . . . . 93 THR HB . 15288 1 1175 . 1 1 93 93 THR HG21 H 1 1.20 0.02 . 1 . . . . 93 THR HG2 . 15288 1 1176 . 1 1 93 93 THR HG22 H 1 1.20 0.02 . 1 . . . . 93 THR HG2 . 15288 1 1177 . 1 1 93 93 THR HG23 H 1 1.20 0.02 . 1 . . . . 93 THR HG2 . 15288 1 1178 . 1 1 93 93 THR C C 13 174.6 0.2 . 1 . . . . 93 THR C . 15288 1 1179 . 1 1 93 93 THR CA C 13 63.1 0.2 . 1 . . . . 93 THR CA . 15288 1 1180 . 1 1 93 93 THR CB C 13 68.9 0.2 . 1 . . . . 93 THR CB . 15288 1 1181 . 1 1 93 93 THR CG2 C 13 22.2 0.2 . 1 . . . . 93 THR CG2 . 15288 1 1182 . 1 1 93 93 THR N N 15 123.0 0.2 . 1 . . . . 93 THR N . 15288 1 1183 . 1 1 94 94 ILE H H 1 7.35 0.02 . 1 . . . . 94 ILE H . 15288 1 1184 . 1 1 94 94 ILE HA H 1 4.84 0.02 . 1 . . . . 94 ILE HA . 15288 1 1185 . 1 1 94 94 ILE HB H 1 2.34 0.02 . 1 . . . . 94 ILE HB . 15288 1 1186 . 1 1 94 94 ILE HD11 H 1 0.78 0.02 . 1 . . . . 94 ILE HD1 . 15288 1 1187 . 1 1 94 94 ILE HD12 H 1 0.78 0.02 . 1 . . . . 94 ILE HD1 . 15288 1 1188 . 1 1 94 94 ILE HD13 H 1 0.78 0.02 . 1 . . . . 94 ILE HD1 . 15288 1 1189 . 1 1 94 94 ILE HG12 H 1 1.20 0.02 . 2 . . . . 94 ILE HG12 . 15288 1 1190 . 1 1 94 94 ILE HG13 H 1 1.56 0.02 . 2 . . . . 94 ILE HG13 . 15288 1 1191 . 1 1 94 94 ILE HG21 H 1 0.94 0.02 . 1 . . . . 94 ILE HG2 . 15288 1 1192 . 1 1 94 94 ILE HG22 H 1 0.94 0.02 . 1 . . . . 94 ILE HG2 . 15288 1 1193 . 1 1 94 94 ILE HG23 H 1 0.94 0.02 . 1 . . . . 94 ILE HG2 . 15288 1 1194 . 1 1 94 94 ILE C C 13 174.9 0.2 . 1 . . . . 94 ILE C . 15288 1 1195 . 1 1 94 94 ILE CA C 13 60.7 0.2 . 1 . . . . 94 ILE CA . 15288 1 1196 . 1 1 94 94 ILE CB C 13 40.2 0.2 . 1 . . . . 94 ILE CB . 15288 1 1197 . 1 1 94 94 ILE CD1 C 13 14.9 0.2 . 1 . . . . 94 ILE CD1 . 15288 1 1198 . 1 1 94 94 ILE CG1 C 13 24.2 0.2 . 1 . . . . 94 ILE CG1 . 15288 1 1199 . 1 1 94 94 ILE CG2 C 13 19.3 0.2 . 1 . . . . 94 ILE CG2 . 15288 1 1200 . 1 1 94 94 ILE N N 15 118.6 0.2 . 1 . . . . 94 ILE N . 15288 1 1201 . 1 1 95 95 GLN H H 1 8.73 0.02 . 1 . . . . 95 GLN H . 15288 1 1202 . 1 1 95 95 GLN HA H 1 4.54 0.02 . 1 . . . . 95 GLN HA . 15288 1 1203 . 1 1 95 95 GLN HB2 H 1 1.88 0.02 . 2 . . . . 95 GLN HB2 . 15288 1 1204 . 1 1 95 95 GLN HB3 H 1 2.09 0.02 . 2 . . . . 95 GLN HB3 . 15288 1 1205 . 1 1 95 95 GLN HE21 H 1 6.63 0.02 . 2 . . . . 95 GLN HE21 . 15288 1 1206 . 1 1 95 95 GLN HE22 H 1 7.48 0.02 . 2 . . . . 95 GLN HE22 . 15288 1 1207 . 1 1 95 95 GLN HG2 H 1 2.36 0.02 . 2 . . . . 95 GLN HG2 . 15288 1 1208 . 1 1 95 95 GLN HG3 H 1 2.41 0.02 . 2 . . . . 95 GLN HG3 . 15288 1 1209 . 1 1 95 95 GLN C C 13 176.1 0.2 . 1 . . . . 95 GLN C . 15288 1 1210 . 1 1 95 95 GLN CA C 13 56.6 0.2 . 1 . . . . 95 GLN CA . 15288 1 1211 . 1 1 95 95 GLN CB C 13 31.0 0.2 . 1 . . . . 95 GLN CB . 15288 1 1212 . 1 1 95 95 GLN CG C 13 35.7 0.2 . 1 . . . . 95 GLN CG . 15288 1 1213 . 1 1 95 95 GLN N N 15 118.1 0.2 . 1 . . . . 95 GLN N . 15288 1 1214 . 1 1 95 95 GLN NE2 N 15 112.6 0.2 . 1 . . . . 95 GLN NE2 . 15288 1 1215 . 1 1 96 96 LYS H H 1 7.70 0.02 . 1 . . . . 96 LYS H . 15288 1 1216 . 1 1 96 96 LYS HA H 1 4.57 0.02 . 1 . . . . 96 LYS HA . 15288 1 1217 . 1 1 96 96 LYS HB2 H 1 1.74 0.02 . 2 . . . . 96 LYS HB2 . 15288 1 1218 . 1 1 96 96 LYS HB3 H 1 1.78 0.02 . 2 . . . . 96 LYS HB3 . 15288 1 1219 . 1 1 96 96 LYS HD2 H 1 0.90 0.02 . 2 . . . . 96 LYS HD2 . 15288 1 1220 . 1 1 96 96 LYS HD3 H 1 1.11 0.02 . 2 . . . . 96 LYS HD3 . 15288 1 1221 . 1 1 96 96 LYS HE2 H 1 1.90 0.02 . 2 . . . . 96 LYS HE2 . 15288 1 1222 . 1 1 96 96 LYS HE3 H 1 2.05 0.02 . 2 . . . . 96 LYS HE3 . 15288 1 1223 . 1 1 96 96 LYS HG2 H 1 1.05 0.02 . 2 . . . . 96 LYS HG2 . 15288 1 1224 . 1 1 96 96 LYS HG3 H 1 1.21 0.02 . 2 . . . . 96 LYS HG3 . 15288 1 1225 . 1 1 96 96 LYS C C 13 173.9 0.2 . 1 . . . . 96 LYS C . 15288 1 1226 . 1 1 96 96 LYS CA C 13 55.4 0.2 . 1 . . . . 96 LYS CA . 15288 1 1227 . 1 1 96 96 LYS CB C 13 35.6 0.2 . 1 . . . . 96 LYS CB . 15288 1 1228 . 1 1 96 96 LYS CD C 13 28.9 0.2 . 1 . . . . 96 LYS CD . 15288 1 1229 . 1 1 96 96 LYS CE C 13 41.1 0.2 . 1 . . . . 96 LYS CE . 15288 1 1230 . 1 1 96 96 LYS CG C 13 24.3 0.2 . 1 . . . . 96 LYS CG . 15288 1 1231 . 1 1 96 96 LYS N N 15 114.9 0.2 . 1 . . . . 96 LYS N . 15288 1 1232 . 1 1 97 97 TYR H H 1 8.50 0.02 . 1 . . . . 97 TYR H . 15288 1 1233 . 1 1 97 97 TYR HA H 1 6.10 0.02 . 1 . . . . 97 TYR HA . 15288 1 1234 . 1 1 97 97 TYR HB2 H 1 2.87 0.02 . 2 . . . . 97 TYR HB2 . 15288 1 1235 . 1 1 97 97 TYR HB3 H 1 3.04 0.02 . 2 . . . . 97 TYR HB3 . 15288 1 1236 . 1 1 97 97 TYR HD1 H 1 6.68 0.02 . 3 . . . . 97 TYR HD1 . 15288 1 1237 . 1 1 97 97 TYR HE1 H 1 6.69 0.02 . 3 . . . . 97 TYR HE1 . 15288 1 1238 . 1 1 97 97 TYR C C 13 172.8 0.2 . 1 . . . . 97 TYR C . 15288 1 1239 . 1 1 97 97 TYR CA C 13 56.3 0.2 . 1 . . . . 97 TYR CA . 15288 1 1240 . 1 1 97 97 TYR CB C 13 42.9 0.2 . 1 . . . . 97 TYR CB . 15288 1 1241 . 1 1 97 97 TYR CD1 C 13 132.4 0.2 . 3 . . . . 97 TYR CD1 . 15288 1 1242 . 1 1 97 97 TYR CE1 C 13 118.2 0.2 . 3 . . . . 97 TYR CE1 . 15288 1 1243 . 1 1 97 97 TYR N N 15 118.8 0.2 . 1 . . . . 97 TYR N . 15288 1 1244 . 1 1 98 98 GLU H H 1 9.54 0.02 . 1 . . . . 98 GLU H . 15288 1 1245 . 1 1 98 98 GLU HA H 1 4.63 0.02 . 1 . . . . 98 GLU HA . 15288 1 1246 . 1 1 98 98 GLU HB2 H 1 2.09 0.02 . 2 . . . . 98 GLU HB2 . 15288 1 1247 . 1 1 98 98 GLU HB3 H 1 2.13 0.02 . 2 . . . . 98 GLU HB3 . 15288 1 1248 . 1 1 98 98 GLU HG2 H 1 2.29 0.02 . 2 . . . . 98 GLU HG2 . 15288 1 1249 . 1 1 98 98 GLU HG3 H 1 2.34 0.02 . 2 . . . . 98 GLU HG3 . 15288 1 1250 . 1 1 98 98 GLU C C 13 174.8 0.2 . 1 . . . . 98 GLU C . 15288 1 1251 . 1 1 98 98 GLU CA C 13 54.5 0.2 . 1 . . . . 98 GLU CA . 15288 1 1252 . 1 1 98 98 GLU CB C 13 34.0 0.2 . 1 . . . . 98 GLU CB . 15288 1 1253 . 1 1 98 98 GLU CG C 13 34.9 0.2 . 1 . . . . 98 GLU CG . 15288 1 1254 . 1 1 98 98 GLU N N 15 120.3 0.2 . 1 . . . . 98 GLU N . 15288 1 1255 . 1 1 99 99 LEU H H 1 9.02 0.02 . 1 . . . . 99 LEU H . 15288 1 1256 . 1 1 99 99 LEU HA H 1 4.48 0.02 . 1 . . . . 99 LEU HA . 15288 1 1257 . 1 1 99 99 LEU HB2 H 1 1.59 0.02 . 2 . . . . 99 LEU HB2 . 15288 1 1258 . 1 1 99 99 LEU HB3 H 1 1.73 0.02 . 2 . . . . 99 LEU HB3 . 15288 1 1259 . 1 1 99 99 LEU HD11 H 1 0.97 0.02 . 1 . . . . 99 LEU HD1 . 15288 1 1260 . 1 1 99 99 LEU HD12 H 1 0.97 0.02 . 1 . . . . 99 LEU HD1 . 15288 1 1261 . 1 1 99 99 LEU HD13 H 1 0.97 0.02 . 1 . . . . 99 LEU HD1 . 15288 1 1262 . 1 1 99 99 LEU HD21 H 1 0.88 0.02 . 1 . . . . 99 LEU HD2 . 15288 1 1263 . 1 1 99 99 LEU HD22 H 1 0.88 0.02 . 1 . . . . 99 LEU HD2 . 15288 1 1264 . 1 1 99 99 LEU HD23 H 1 0.88 0.02 . 1 . . . . 99 LEU HD2 . 15288 1 1265 . 1 1 99 99 LEU HG H 1 1.71 0.02 . 1 . . . . 99 LEU HG . 15288 1 1266 . 1 1 99 99 LEU C C 13 176.5 0.2 . 1 . . . . 99 LEU C . 15288 1 1267 . 1 1 99 99 LEU CA C 13 55.5 0.2 . 1 . . . . 99 LEU CA . 15288 1 1268 . 1 1 99 99 LEU CB C 13 41.9 0.2 . 1 . . . . 99 LEU CB . 15288 1 1269 . 1 1 99 99 LEU CD1 C 13 24.9 0.2 . 1 . . . . 99 LEU CD1 . 15288 1 1270 . 1 1 99 99 LEU CD2 C 13 24.4 0.2 . 1 . . . . 99 LEU CD2 . 15288 1 1271 . 1 1 99 99 LEU CG C 13 27.9 0.2 . 1 . . . . 99 LEU CG . 15288 1 1272 . 1 1 99 99 LEU N N 15 125.7 0.2 . 1 . . . . 99 LEU N . 15288 1 1273 . 1 1 100 100 LEU H H 1 8.51 0.02 . 1 . . . . 100 LEU H . 15288 1 1274 . 1 1 100 100 LEU HA H 1 4.55 0.02 . 1 . . . . 100 LEU HA . 15288 1 1275 . 1 1 100 100 LEU HB2 H 1 1.32 0.02 . 2 . . . . 100 LEU HB2 . 15288 1 1276 . 1 1 100 100 LEU HB3 H 1 1.41 0.02 . 2 . . . . 100 LEU HB3 . 15288 1 1277 . 1 1 100 100 LEU HD11 H 1 0.70 0.02 . 1 . . . . 100 LEU HD1 . 15288 1 1278 . 1 1 100 100 LEU HD12 H 1 0.70 0.02 . 1 . . . . 100 LEU HD1 . 15288 1 1279 . 1 1 100 100 LEU HD13 H 1 0.70 0.02 . 1 . . . . 100 LEU HD1 . 15288 1 1280 . 1 1 100 100 LEU HD21 H 1 0.74 0.02 . 1 . . . . 100 LEU HD2 . 15288 1 1281 . 1 1 100 100 LEU HD22 H 1 0.74 0.02 . 1 . . . . 100 LEU HD2 . 15288 1 1282 . 1 1 100 100 LEU HD23 H 1 0.74 0.02 . 1 . . . . 100 LEU HD2 . 15288 1 1283 . 1 1 100 100 LEU HG H 1 1.54 0.02 . 1 . . . . 100 LEU HG . 15288 1 1284 . 1 1 100 100 LEU C C 13 176.2 0.2 . 1 . . . . 100 LEU C . 15288 1 1285 . 1 1 100 100 LEU CA C 13 54.2 0.2 . 1 . . . . 100 LEU CA . 15288 1 1286 . 1 1 100 100 LEU CB C 13 41.5 0.2 . 1 . . . . 100 LEU CB . 15288 1 1287 . 1 1 100 100 LEU CD1 C 13 26.8 0.2 . 1 . . . . 100 LEU CD1 . 15288 1 1288 . 1 1 100 100 LEU CD2 C 13 22.6 0.2 . 1 . . . . 100 LEU CD2 . 15288 1 1289 . 1 1 100 100 LEU CG C 13 26.8 0.2 . 1 . . . . 100 LEU CG . 15288 1 1290 . 1 1 100 100 LEU N N 15 125.8 0.2 . 1 . . . . 100 LEU N . 15288 1 1291 . 1 1 101 101 LEU H H 1 8.24 0.02 . 1 . . . . 101 LEU H . 15288 1 1292 . 1 1 101 101 LEU HA H 1 4.42 0.02 . 1 . . . . 101 LEU HA . 15288 1 1293 . 1 1 101 101 LEU HB2 H 1 1.44 0.02 . 2 . . . . 101 LEU HB2 . 15288 1 1294 . 1 1 101 101 LEU HB3 H 1 1.60 0.02 . 2 . . . . 101 LEU HB3 . 15288 1 1295 . 1 1 101 101 LEU HD11 H 1 0.91 0.02 . 1 . . . . 101 LEU HD1 . 15288 1 1296 . 1 1 101 101 LEU HD12 H 1 0.91 0.02 . 1 . . . . 101 LEU HD1 . 15288 1 1297 . 1 1 101 101 LEU HD13 H 1 0.91 0.02 . 1 . . . . 101 LEU HD1 . 15288 1 1298 . 1 1 101 101 LEU HD21 H 1 0.86 0.02 . 1 . . . . 101 LEU HD2 . 15288 1 1299 . 1 1 101 101 LEU HD22 H 1 0.86 0.02 . 1 . . . . 101 LEU HD2 . 15288 1 1300 . 1 1 101 101 LEU HD23 H 1 0.86 0.02 . 1 . . . . 101 LEU HD2 . 15288 1 1301 . 1 1 101 101 LEU HG H 1 1.53 0.02 . 1 . . . . 101 LEU HG . 15288 1 1302 . 1 1 101 101 LEU C C 13 176.9 0.2 . 1 . . . . 101 LEU C . 15288 1 1303 . 1 1 101 101 LEU CA C 13 54.3 0.2 . 1 . . . . 101 LEU CA . 15288 1 1304 . 1 1 101 101 LEU CB C 13 42.5 0.2 . 1 . . . . 101 LEU CB . 15288 1 1305 . 1 1 101 101 LEU CD1 C 13 25.1 0.2 . 1 . . . . 101 LEU CD1 . 15288 1 1306 . 1 1 101 101 LEU CD2 C 13 23.2 0.2 . 1 . . . . 101 LEU CD2 . 15288 1 1307 . 1 1 101 101 LEU CG C 13 27.1 0.2 . 1 . . . . 101 LEU CG . 15288 1 1308 . 1 1 101 101 LEU N N 15 122.3 0.2 . 1 . . . . 101 LEU N . 15288 1 1309 . 1 1 102 102 GLU H H 1 8.39 0.02 . 1 . . . . 102 GLU H . 15288 1 1310 . 1 1 102 102 GLU HA H 1 4.23 0.02 . 1 . . . . 102 GLU HA . 15288 1 1311 . 1 1 102 102 GLU HB2 H 1 1.85 0.02 . 2 . . . . 102 GLU HB2 . 15288 1 1312 . 1 1 102 102 GLU HB3 H 1 1.91 0.02 . 2 . . . . 102 GLU HB3 . 15288 1 1313 . 1 1 102 102 GLU HG2 H 1 1.86 0.02 . 2 . . . . 102 GLU HG2 . 15288 1 1314 . 1 1 102 102 GLU HG3 H 1 1.89 0.02 . 2 . . . . 102 GLU HG3 . 15288 1 1315 . 1 1 102 102 GLU C C 13 176.0 0.2 . 1 . . . . 102 GLU C . 15288 1 1316 . 1 1 102 102 GLU CA C 13 56.0 0.2 . 1 . . . . 102 GLU CA . 15288 1 1317 . 1 1 102 102 GLU CB C 13 30.3 0.2 . 1 . . . . 102 GLU CB . 15288 1 1318 . 1 1 102 102 GLU CG C 13 35.5 0.2 . 1 . . . . 102 GLU CG . 15288 1 1319 . 1 1 102 102 GLU N N 15 121.5 0.2 . 1 . . . . 102 GLU N . 15288 1 1320 . 1 1 103 103 HIS H H 1 8.60 0.02 . 1 . . . . 103 HIS H . 15288 1 1321 . 1 1 103 103 HIS HA H 1 4.63 0.02 . 1 . . . . 103 HIS HA . 15288 1 1322 . 1 1 103 103 HIS CA C 13 55.1 0.2 . 1 . . . . 103 HIS CA . 15288 1 1323 . 1 1 103 103 HIS CB C 13 29.0 0.2 . 1 . . . . 103 HIS CB . 15288 1 1324 . 1 1 103 103 HIS N N 15 119.6 0.2 . 1 . . . . 103 HIS N . 15288 1 stop_ save_