data_18346 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18346 _Entry.Title ; NMR structure of the protein NP_390037.1 from Bacillus subtilis. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-03-22 _Entry.Accession_date 2012-03-22 _Entry.Last_release_date 2012-04-30 _Entry.Original_release_date 2012-04-30 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _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 Samit Dutta . K. . 18346 2 Pedro Serrano . . . 18346 3 Michael Geralt . . . 18346 4 Kurt Wuthrich . . . 18346 5 JCSG JCSG . . . 18346 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 PSI:Biology 'Joint Center for Structural Genomics' . 18346 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'FAB fragment' . 18346 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18346 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 432 18346 '15N chemical shifts' 141 18346 '1H chemical shifts' 926 18346 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2012-04-30 2012-03-22 original author . 18346 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LR4 'BMRB Entry Tracking System' 18346 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18346 _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 structure of the protein NP_390037.1 from Bacillus subtilis' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _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 Samit Dutta . K. . 18346 1 2 Pedro Serrano . . . 18346 1 3 Michael Geralt . . . 18346 1 4 Kurt Wuthrich . . . 18346 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18346 _Assembly.ID 1 _Assembly.Name 'NP_390037.1 from Bacillus subtilis' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'NP_390037.1 from Bacillus subtilis' 1 $NP_390037.1 A . yes native no no . . . 18346 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_NP_390037.1 _Entity.Sf_category entity _Entity.Sf_framecode NP_390037.1 _Entity.Entry_ID 18346 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GAEALPLYYLQITGITSDGN DFAWDNLTSSQTKAPNVLKG NKLYVKARFMGYTKLTVITG KDGKNLLYNGTAKMFKSDAI LGQNKVVIGWDKYFEIPMDA LQDNSIQIKALSSGTTFVYS QKIDFERE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 128 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14274.345 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2LR4 . "Nmr Structure Of The Protein Np_390037.1 From Bacillus Subtilis" . . . . . 100.00 128 100.00 100.00 1.23e-86 . . . . 18346 1 2 no EMBL CAB14072 . "putative exported protein; SPbeta phage [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 100.00 155 99.22 99.22 2.27e-86 . . . . 18346 1 3 no EMBL CCU58559 . "unknown [Bacillus subtilis E1]" . . . . . 100.00 155 97.66 99.22 3.15e-85 . . . . 18346 1 4 no EMBL CEI57363 . "SPBc2 prophage-derived uncharacterized protein YolA precursor [Bacillus subtilis]" . . . . . 100.00 155 99.22 99.22 2.27e-86 . . . . 18346 1 5 no EMBL CEJ77788 . "SPBc2 prophage-derived uncharacterized protein YolA precursor [Bacillus sp.]" . . . . . 100.00 155 99.22 99.22 2.27e-86 . . . . 18346 1 6 no GB AAC12986 . "unknown [Bacillus phage SPbeta]" . . . . . 100.00 155 99.22 99.22 2.27e-86 . . . . 18346 1 7 no GB AFQ58101 . "Putative exported protein [Bacillus subtilis QB928]" . . . . . 100.00 155 99.22 99.22 2.27e-86 . . . . 18346 1 8 no GB AGG61547 . "exported protein of unknown function, phage SPbeta [Bacillus subtilis subsp. subtilis 6051-HGW]" . . . . . 100.00 155 99.22 99.22 2.27e-86 . . . . 18346 1 9 no GB AIC40597 . "hypothetical protein BSUA_02317 [Bacillus subtilis subsp. subtilis str. JH642 substr. AG174]" . . . . . 100.00 155 99.22 99.22 2.27e-86 . . . . 18346 1 10 no GB AIC44829 . "yolA [Bacillus subtilis subsp. subtilis str. AG1839]" . . . . . 100.00 155 99.22 99.22 2.27e-86 . . . . 18346 1 11 no REF NP_046565 . "hypothetical protein SPBc2p013 [Bacillus phage SPbeta]" . . . . . 100.00 155 99.22 99.22 2.27e-86 . . . . 18346 1 12 no REF NP_390037 . "hypothetical protein BSU21540 [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 100.00 155 99.22 99.22 2.27e-86 . . . . 18346 1 13 no REF WP_003246138 . "MULTISPECIES: hypothetical protein [Bacillus]" . . . . . 100.00 155 99.22 99.22 2.27e-86 . . . . 18346 1 14 no REF WP_019712873 . "hypothetical protein [Bacillus subtilis]" . . . . . 100.00 155 98.44 99.22 5.32e-86 . . . . 18346 1 15 no REF WP_032725945 . "hypothetical protein [Bacillus subtilis]" . . . . . 100.00 155 97.66 99.22 3.15e-85 . . . . 18346 1 16 no SP O31994 . "RecName: Full=SPBc2 prophage-derived uncharacterized protein YolA; Flags: Precursor" . . . . . 100.00 155 99.22 99.22 2.27e-86 . . . . 18346 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 . GLY . 18346 1 2 . ALA . 18346 1 3 . GLU . 18346 1 4 . ALA . 18346 1 5 . LEU . 18346 1 6 . PRO . 18346 1 7 . LEU . 18346 1 8 . TYR . 18346 1 9 . TYR . 18346 1 10 . LEU . 18346 1 11 . GLN . 18346 1 12 . ILE . 18346 1 13 . THR . 18346 1 14 . GLY . 18346 1 15 . ILE . 18346 1 16 . THR . 18346 1 17 . SER . 18346 1 18 . ASP . 18346 1 19 . GLY . 18346 1 20 . ASN . 18346 1 21 . ASP . 18346 1 22 . PHE . 18346 1 23 . ALA . 18346 1 24 . TRP . 18346 1 25 . ASP . 18346 1 26 . ASN . 18346 1 27 . LEU . 18346 1 28 . THR . 18346 1 29 . SER . 18346 1 30 . SER . 18346 1 31 . GLN . 18346 1 32 . THR . 18346 1 33 . LYS . 18346 1 34 . ALA . 18346 1 35 . PRO . 18346 1 36 . ASN . 18346 1 37 . VAL . 18346 1 38 . LEU . 18346 1 39 . LYS . 18346 1 40 . GLY . 18346 1 41 . ASN . 18346 1 42 . LYS . 18346 1 43 . LEU . 18346 1 44 . TYR . 18346 1 45 . VAL . 18346 1 46 . LYS . 18346 1 47 . ALA . 18346 1 48 . ARG . 18346 1 49 . PHE . 18346 1 50 . MET . 18346 1 51 . GLY . 18346 1 52 . TYR . 18346 1 53 . THR . 18346 1 54 . LYS . 18346 1 55 . LEU . 18346 1 56 . THR . 18346 1 57 . VAL . 18346 1 58 . ILE . 18346 1 59 . THR . 18346 1 60 . GLY . 18346 1 61 . LYS . 18346 1 62 . ASP . 18346 1 63 . GLY . 18346 1 64 . LYS . 18346 1 65 . ASN . 18346 1 66 . LEU . 18346 1 67 . LEU . 18346 1 68 . TYR . 18346 1 69 . ASN . 18346 1 70 . GLY . 18346 1 71 . THR . 18346 1 72 . ALA . 18346 1 73 . LYS . 18346 1 74 . MET . 18346 1 75 . PHE . 18346 1 76 . LYS . 18346 1 77 . SER . 18346 1 78 . ASP . 18346 1 79 . ALA . 18346 1 80 . ILE . 18346 1 81 . LEU . 18346 1 82 . GLY . 18346 1 83 . GLN . 18346 1 84 . ASN . 18346 1 85 . LYS . 18346 1 86 . VAL . 18346 1 87 . VAL . 18346 1 88 . ILE . 18346 1 89 . GLY . 18346 1 90 . TRP . 18346 1 91 . ASP . 18346 1 92 . LYS . 18346 1 93 . TYR . 18346 1 94 . PHE . 18346 1 95 . GLU . 18346 1 96 . ILE . 18346 1 97 . PRO . 18346 1 98 . MET . 18346 1 99 . ASP . 18346 1 100 . ALA . 18346 1 101 . LEU . 18346 1 102 . GLN . 18346 1 103 . ASP . 18346 1 104 . ASN . 18346 1 105 . SER . 18346 1 106 . ILE . 18346 1 107 . GLN . 18346 1 108 . ILE . 18346 1 109 . LYS . 18346 1 110 . ALA . 18346 1 111 . LEU . 18346 1 112 . SER . 18346 1 113 . SER . 18346 1 114 . GLY . 18346 1 115 . THR . 18346 1 116 . THR . 18346 1 117 . PHE . 18346 1 118 . VAL . 18346 1 119 . TYR . 18346 1 120 . SER . 18346 1 121 . GLN . 18346 1 122 . LYS . 18346 1 123 . ILE . 18346 1 124 . ASP . 18346 1 125 . PHE . 18346 1 126 . GLU . 18346 1 127 . ARG . 18346 1 128 . GLU . 18346 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 18346 1 . ALA 2 2 18346 1 . GLU 3 3 18346 1 . ALA 4 4 18346 1 . LEU 5 5 18346 1 . PRO 6 6 18346 1 . LEU 7 7 18346 1 . TYR 8 8 18346 1 . TYR 9 9 18346 1 . LEU 10 10 18346 1 . GLN 11 11 18346 1 . ILE 12 12 18346 1 . THR 13 13 18346 1 . GLY 14 14 18346 1 . ILE 15 15 18346 1 . THR 16 16 18346 1 . SER 17 17 18346 1 . ASP 18 18 18346 1 . GLY 19 19 18346 1 . ASN 20 20 18346 1 . ASP 21 21 18346 1 . PHE 22 22 18346 1 . ALA 23 23 18346 1 . TRP 24 24 18346 1 . ASP 25 25 18346 1 . ASN 26 26 18346 1 . LEU 27 27 18346 1 . THR 28 28 18346 1 . SER 29 29 18346 1 . SER 30 30 18346 1 . GLN 31 31 18346 1 . THR 32 32 18346 1 . LYS 33 33 18346 1 . ALA 34 34 18346 1 . PRO 35 35 18346 1 . ASN 36 36 18346 1 . VAL 37 37 18346 1 . LEU 38 38 18346 1 . LYS 39 39 18346 1 . GLY 40 40 18346 1 . ASN 41 41 18346 1 . LYS 42 42 18346 1 . LEU 43 43 18346 1 . TYR 44 44 18346 1 . VAL 45 45 18346 1 . LYS 46 46 18346 1 . ALA 47 47 18346 1 . ARG 48 48 18346 1 . PHE 49 49 18346 1 . MET 50 50 18346 1 . GLY 51 51 18346 1 . TYR 52 52 18346 1 . THR 53 53 18346 1 . LYS 54 54 18346 1 . LEU 55 55 18346 1 . THR 56 56 18346 1 . VAL 57 57 18346 1 . ILE 58 58 18346 1 . THR 59 59 18346 1 . GLY 60 60 18346 1 . LYS 61 61 18346 1 . ASP 62 62 18346 1 . GLY 63 63 18346 1 . LYS 64 64 18346 1 . ASN 65 65 18346 1 . LEU 66 66 18346 1 . LEU 67 67 18346 1 . TYR 68 68 18346 1 . ASN 69 69 18346 1 . GLY 70 70 18346 1 . THR 71 71 18346 1 . ALA 72 72 18346 1 . LYS 73 73 18346 1 . MET 74 74 18346 1 . PHE 75 75 18346 1 . LYS 76 76 18346 1 . SER 77 77 18346 1 . ASP 78 78 18346 1 . ALA 79 79 18346 1 . ILE 80 80 18346 1 . LEU 81 81 18346 1 . GLY 82 82 18346 1 . GLN 83 83 18346 1 . ASN 84 84 18346 1 . LYS 85 85 18346 1 . VAL 86 86 18346 1 . VAL 87 87 18346 1 . ILE 88 88 18346 1 . GLY 89 89 18346 1 . TRP 90 90 18346 1 . ASP 91 91 18346 1 . LYS 92 92 18346 1 . TYR 93 93 18346 1 . PHE 94 94 18346 1 . GLU 95 95 18346 1 . ILE 96 96 18346 1 . PRO 97 97 18346 1 . MET 98 98 18346 1 . ASP 99 99 18346 1 . ALA 100 100 18346 1 . LEU 101 101 18346 1 . GLN 102 102 18346 1 . ASP 103 103 18346 1 . ASN 104 104 18346 1 . SER 105 105 18346 1 . ILE 106 106 18346 1 . GLN 107 107 18346 1 . ILE 108 108 18346 1 . LYS 109 109 18346 1 . ALA 110 110 18346 1 . LEU 111 111 18346 1 . SER 112 112 18346 1 . SER 113 113 18346 1 . GLY 114 114 18346 1 . THR 115 115 18346 1 . THR 116 116 18346 1 . PHE 117 117 18346 1 . VAL 118 118 18346 1 . TYR 119 119 18346 1 . SER 120 120 18346 1 . GLN 121 121 18346 1 . LYS 122 122 18346 1 . ILE 123 123 18346 1 . ASP 124 124 18346 1 . PHE 125 125 18346 1 . GLU 126 126 18346 1 . ARG 127 127 18346 1 . GLU 128 128 18346 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 18346 _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 $NP_390037.1 . 1423 organism . 'Bacillus subtilis' 'Bacillus subtilis' . . Bacteria . Bacillus subtilis . . . . . . . . . . . . . . . . . . . . . 18346 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 18346 _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 $NP_390037.1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . SpeedET . . . . . . 18346 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18346 _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 NP_390037.1 '[U-98% 13C; U-98% 15N]' . . 1 $NP_390037.1 . . 1.2 . . mM . . . . 18346 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18346 1 3 'sodium azide' 'natural abundance' . . . . . . 5 . . mM . . . . 18346 1 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 18346 1 5 D2O '[U-99% 2H]' . . . . . . 5 . . % . . . . 18346 1 6 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18346 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18346 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.080 . M 18346 1 pH 6.0 . pH 18346 1 pressure 1 . atm 18346 1 temperature 313 . K 18346 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18346 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18346 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18346 1 processing 18346 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 18346 _Software.ID 2 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 18346 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18346 2 'data analysis' 18346 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18346 _Software.ID 3 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18346 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18346 3 stop_ save_ save_OPAL _Software.Sf_category software _Software.Sf_framecode OPAL _Software.Entry_ID 18346 _Software.ID 4 _Software.Name OPAL _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Luginbuhl, Guntert, Billeter and Wuthrich' . . 18346 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 18346 4 refinement 18346 4 stop_ save_ save_UNIO _Software.Sf_category software _Software.Sf_framecode UNIO _Software.Entry_ID 18346 _Software.ID 5 _Software.Name UNIO _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann and Wuthrich' . . 18346 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18346 5 'data analysis' 18346 5 'structure solution' 18346 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 18346 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details mbavance601 _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18346 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details mbavance800 _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18346 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 mbavance601 . . 18346 1 2 spectrometer_2 Bruker Avance . 800 mbavance800 . . 18346 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 18346 _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 '4D APSY-HACANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18346 1 2 '5D APSY-HACACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18346 1 3 '5D APSY-CBCACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18346 1 4 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18346 1 5 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18346 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18346 1 7 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18346 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 18346 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18346 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18346 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18346 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 18346 _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 '4D APSY-HACANH' . . . 18346 1 2 '5D APSY-HACACONH' . . . 18346 1 3 '5D APSY-CBCACONH' . . . 18346 1 6 '3D 1H-15N NOESY' . . . 18346 1 7 '2D 1H-15N HSQC' . . . 18346 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ALA HA H 1 4.225 0.006 . 1 . . . A 2 ALA HA . 18346 1 2 . 1 1 2 2 ALA HB1 H 1 1.296 0.006 . 1 . . . A 2 ALA QB . 18346 1 3 . 1 1 2 2 ALA HB2 H 1 1.296 0.006 . 1 . . . A 2 ALA QB . 18346 1 4 . 1 1 2 2 ALA HB3 H 1 1.296 0.006 . 1 . . . A 2 ALA QB . 18346 1 5 . 1 1 2 2 ALA CA C 13 53.090 0.16 . 1 . . . A 2 ALA CA . 18346 1 6 . 1 1 2 2 ALA CB C 13 19.515 0.16 . 1 . . . A 2 ALA CB . 18346 1 7 . 1 1 3 3 GLU H H 1 8.544 0.006 . 1 . . . A 3 GLU H . 18346 1 8 . 1 1 3 3 GLU HA H 1 4.145 0.006 . 1 . . . A 3 GLU HA . 18346 1 9 . 1 1 3 3 GLU HB2 H 1 1.855 0.006 . 2 . . . A 3 GLU HB2 . 18346 1 10 . 1 1 3 3 GLU HB3 H 1 1.943 0.006 . 2 . . . A 3 GLU HB3 . 18346 1 11 . 1 1 3 3 GLU HG2 H 1 2.185 0.006 . 2 . . . A 3 GLU HG2 . 18346 1 12 . 1 1 3 3 GLU HG3 H 1 2.130 0.006 . 2 . . . A 3 GLU HG3 . 18346 1 13 . 1 1 3 3 GLU CA C 13 56.998 0.16 . 1 . . . A 3 GLU CA . 18346 1 14 . 1 1 3 3 GLU CB C 13 30.255 0.16 . 1 . . . A 3 GLU CB . 18346 1 15 . 1 1 3 3 GLU CG C 13 36.387 0.16 . 1 . . . A 3 GLU CG . 18346 1 16 . 1 1 3 3 GLU N N 15 118.137 0.13 . 1 . . . A 3 GLU N . 18346 1 17 . 1 1 4 4 ALA H H 1 7.966 0.006 . 1 . . . A 4 ALA H . 18346 1 18 . 1 1 4 4 ALA HA H 1 4.322 0.006 . 1 . . . A 4 ALA HA . 18346 1 19 . 1 1 4 4 ALA HB1 H 1 1.267 0.006 . 1 . . . A 4 ALA QB . 18346 1 20 . 1 1 4 4 ALA HB2 H 1 1.267 0.006 . 1 . . . A 4 ALA QB . 18346 1 21 . 1 1 4 4 ALA HB3 H 1 1.267 0.006 . 1 . . . A 4 ALA QB . 18346 1 22 . 1 1 4 4 ALA CA C 13 52.088 0.16 . 1 . . . A 4 ALA CA . 18346 1 23 . 1 1 4 4 ALA CB C 13 19.640 0.16 . 1 . . . A 4 ALA CB . 18346 1 24 . 1 1 4 4 ALA N N 15 122.826 0.13 . 1 . . . A 4 ALA N . 18346 1 25 . 1 1 5 5 LEU H H 1 7.974 0.006 . 1 . . . A 5 LEU H . 18346 1 26 . 1 1 5 5 LEU HA H 1 4.640 0.006 . 1 . . . A 5 LEU HA . 18346 1 27 . 1 1 5 5 LEU HB2 H 1 1.656 0.006 . 2 . . . A 5 LEU HB2 . 18346 1 28 . 1 1 5 5 LEU HB3 H 1 1.733 0.006 . 2 . . . A 5 LEU HB3 . 18346 1 29 . 1 1 5 5 LEU HG H 1 1.700 0.006 . 1 . . . A 5 LEU HG . 18346 1 30 . 1 1 5 5 LEU HD11 H 1 0.861 0.006 . 2 . . . A 5 LEU QD1 . 18346 1 31 . 1 1 5 5 LEU HD12 H 1 0.861 0.006 . 2 . . . A 5 LEU QD1 . 18346 1 32 . 1 1 5 5 LEU HD13 H 1 0.861 0.006 . 2 . . . A 5 LEU QD1 . 18346 1 33 . 1 1 5 5 LEU HD21 H 1 0.820 0.006 . 2 . . . A 5 LEU QD2 . 18346 1 34 . 1 1 5 5 LEU HD22 H 1 0.820 0.006 . 2 . . . A 5 LEU QD2 . 18346 1 35 . 1 1 5 5 LEU HD23 H 1 0.820 0.006 . 2 . . . A 5 LEU QD2 . 18346 1 36 . 1 1 5 5 LEU CA C 13 53.103 0.16 . 1 . . . A 5 LEU CA . 18346 1 37 . 1 1 5 5 LEU CB C 13 42.954 0.16 . 1 . . . A 5 LEU CB . 18346 1 38 . 1 1 5 5 LEU CG C 13 27.326 0.16 . 1 . . . A 5 LEU CG . 18346 1 39 . 1 1 5 5 LEU CD1 C 13 23.947 0.16 . 2 . . . A 5 LEU CD1 . 18346 1 40 . 1 1 5 5 LEU CD2 C 13 25.590 0.16 . 2 . . . A 5 LEU CD2 . 18346 1 41 . 1 1 5 5 LEU N N 15 121.880 0.13 . 1 . . . A 5 LEU N . 18346 1 42 . 1 1 6 6 PRO HA H 1 4.260 0.006 . 1 . . . A 6 PRO HA . 18346 1 43 . 1 1 6 6 PRO HB2 H 1 2.213 0.006 . 2 . . . A 6 PRO HB2 . 18346 1 44 . 1 1 6 6 PRO HB3 H 1 1.766 0.006 . 2 . . . A 6 PRO HB3 . 18346 1 45 . 1 1 6 6 PRO HG2 H 1 1.987 0.006 . 2 . . . A 6 PRO HG2 . 18346 1 46 . 1 1 6 6 PRO HG3 H 1 1.960 0.006 . 2 . . . A 6 PRO HG3 . 18346 1 47 . 1 1 6 6 PRO HD2 H 1 3.892 0.006 . 2 . . . A 6 PRO HD2 . 18346 1 48 . 1 1 6 6 PRO HD3 H 1 3.620 0.006 . 2 . . . A 6 PRO HD3 . 18346 1 49 . 1 1 6 6 PRO CA C 13 63.103 0.16 . 1 . . . A 6 PRO CA . 18346 1 50 . 1 1 6 6 PRO CB C 13 32.731 0.16 . 1 . . . A 6 PRO CB . 18346 1 51 . 1 1 6 6 PRO CG C 13 27.795 0.16 . 1 . . . A 6 PRO CG . 18346 1 52 . 1 1 6 6 PRO CD C 13 50.693 0.16 . 1 . . . A 6 PRO CD . 18346 1 53 . 1 1 7 7 LEU H H 1 7.929 0.006 . 1 . . . A 7 LEU H . 18346 1 54 . 1 1 7 7 LEU HA H 1 4.277 0.006 . 1 . . . A 7 LEU HA . 18346 1 55 . 1 1 7 7 LEU HB2 H 1 1.193 0.006 . 2 . . . A 7 LEU HB2 . 18346 1 56 . 1 1 7 7 LEU HB3 H 1 1.454 0.006 . 2 . . . A 7 LEU HB3 . 18346 1 57 . 1 1 7 7 LEU HG H 1 1.201 0.006 . 1 . . . A 7 LEU HG . 18346 1 58 . 1 1 7 7 LEU HD11 H 1 0.851 0.006 . 1 . . . A 7 LEU QQD . 18346 1 59 . 1 1 7 7 LEU HD12 H 1 0.851 0.006 . 1 . . . A 7 LEU QQD . 18346 1 60 . 1 1 7 7 LEU HD13 H 1 0.851 0.006 . 1 . . . A 7 LEU QQD . 18346 1 61 . 1 1 7 7 LEU HD21 H 1 0.851 0.006 . 1 . . . A 7 LEU QQD . 18346 1 62 . 1 1 7 7 LEU HD22 H 1 0.851 0.006 . 1 . . . A 7 LEU QQD . 18346 1 63 . 1 1 7 7 LEU HD23 H 1 0.851 0.006 . 1 . . . A 7 LEU QQD . 18346 1 64 . 1 1 7 7 LEU CA C 13 56.196 0.16 . 1 . . . A 7 LEU CA . 18346 1 65 . 1 1 7 7 LEU CB C 13 44.044 0.16 . 1 . . . A 7 LEU CB . 18346 1 66 . 1 1 7 7 LEU CG C 13 27.358 0.16 . 1 . . . A 7 LEU CG . 18346 1 67 . 1 1 7 7 LEU CD1 C 13 25.662 0.16 . 2 . . . A 7 LEU CD1 . 18346 1 68 . 1 1 7 7 LEU N N 15 119.980 0.13 . 1 . . . A 7 LEU N . 18346 1 69 . 1 1 8 8 TYR H H 1 8.357 0.006 . 1 . . . A 8 TYR H . 18346 1 70 . 1 1 8 8 TYR HA H 1 4.970 0.006 . 1 . . . A 8 TYR HA . 18346 1 71 . 1 1 8 8 TYR HB2 H 1 3.210 0.006 . 2 . . . A 8 TYR HB2 . 18346 1 72 . 1 1 8 8 TYR HB3 H 1 2.910 0.006 . 2 . . . A 8 TYR HB3 . 18346 1 73 . 1 1 8 8 TYR HD1 H 1 7.161 0.006 . 3 . . . A 8 TYR QD . 18346 1 74 . 1 1 8 8 TYR HD2 H 1 7.161 0.006 . 3 . . . A 8 TYR QD . 18346 1 75 . 1 1 8 8 TYR HE1 H 1 6.688 0.006 . 3 . . . A 8 TYR QE . 18346 1 76 . 1 1 8 8 TYR HE2 H 1 6.688 0.006 . 3 . . . A 8 TYR QE . 18346 1 77 . 1 1 8 8 TYR CA C 13 55.908 0.16 . 1 . . . A 8 TYR CA . 18346 1 78 . 1 1 8 8 TYR CB C 13 39.005 0.16 . 1 . . . A 8 TYR CB . 18346 1 79 . 1 1 8 8 TYR CD2 C 13 135.090 0.16 . 3 . . . A 8 TYR CD2 . 18346 1 80 . 1 1 8 8 TYR CE2 C 13 118.788 0.16 . 3 . . . A 8 TYR CE2 . 18346 1 81 . 1 1 8 8 TYR N N 15 119.529 0.13 . 1 . . . A 8 TYR N . 18346 1 82 . 1 1 9 9 TYR H H 1 7.075 0.006 . 1 . . . A 9 TYR H . 18346 1 83 . 1 1 9 9 TYR HA H 1 4.432 0.006 . 1 . . . A 9 TYR HA . 18346 1 84 . 1 1 9 9 TYR HB2 H 1 2.787 0.006 . 2 . . . A 9 TYR HB2 . 18346 1 85 . 1 1 9 9 TYR HB3 H 1 2.237 0.006 . 2 . . . A 9 TYR HB3 . 18346 1 86 . 1 1 9 9 TYR HD1 H 1 6.875 0.006 . 3 . . . A 9 TYR QD . 18346 1 87 . 1 1 9 9 TYR HD2 H 1 6.875 0.006 . 3 . . . A 9 TYR QD . 18346 1 88 . 1 1 9 9 TYR HE1 H 1 6.606 0.006 . 3 . . . A 9 TYR QE . 18346 1 89 . 1 1 9 9 TYR HE2 H 1 6.606 0.006 . 3 . . . A 9 TYR QE . 18346 1 90 . 1 1 9 9 TYR CA C 13 58.389 0.16 . 1 . . . A 9 TYR CA . 18346 1 91 . 1 1 9 9 TYR CB C 13 42.339 0.16 . 1 . . . A 9 TYR CB . 18346 1 92 . 1 1 9 9 TYR CD2 C 13 133.774 0.16 . 3 . . . A 9 TYR CD2 . 18346 1 93 . 1 1 9 9 TYR CE2 C 13 118.664 0.16 . 3 . . . A 9 TYR CE2 . 18346 1 94 . 1 1 9 9 TYR N N 15 122.356 0.13 . 1 . . . A 9 TYR N . 18346 1 95 . 1 1 10 10 LEU H H 1 7.798 0.006 . 1 . . . A 10 LEU H . 18346 1 96 . 1 1 10 10 LEU HA H 1 4.961 0.006 . 1 . . . A 10 LEU HA . 18346 1 97 . 1 1 10 10 LEU HB2 H 1 1.095 0.006 . 2 . . . A 10 LEU HB2 . 18346 1 98 . 1 1 10 10 LEU HB3 H 1 0.802 0.006 . 2 . . . A 10 LEU HB3 . 18346 1 99 . 1 1 10 10 LEU HG H 1 0.120 0.006 . 1 . . . A 10 LEU HG . 18346 1 100 . 1 1 10 10 LEU HD11 H 1 0.517 0.006 . 2 . . . A 10 LEU QD1 . 18346 1 101 . 1 1 10 10 LEU HD12 H 1 0.517 0.006 . 2 . . . A 10 LEU QD1 . 18346 1 102 . 1 1 10 10 LEU HD13 H 1 0.517 0.006 . 2 . . . A 10 LEU QD1 . 18346 1 103 . 1 1 10 10 LEU HD21 H 1 -0.269 0.006 . 2 . . . A 10 LEU QD2 . 18346 1 104 . 1 1 10 10 LEU HD22 H 1 -0.269 0.006 . 2 . . . A 10 LEU QD2 . 18346 1 105 . 1 1 10 10 LEU HD23 H 1 -0.269 0.006 . 2 . . . A 10 LEU QD2 . 18346 1 106 . 1 1 10 10 LEU CA C 13 54.047 0.16 . 1 . . . A 10 LEU CA . 18346 1 107 . 1 1 10 10 LEU CB C 13 45.521 0.16 . 1 . . . A 10 LEU CB . 18346 1 108 . 1 1 10 10 LEU CG C 13 25.618 0.16 . 1 . . . A 10 LEU CG . 18346 1 109 . 1 1 10 10 LEU CD1 C 13 28.088 0.16 . 2 . . . A 10 LEU CD1 . 18346 1 110 . 1 1 10 10 LEU CD2 C 13 23.693 0.16 . 2 . . . A 10 LEU CD2 . 18346 1 111 . 1 1 10 10 LEU N N 15 128.807 0.13 . 1 . . . A 10 LEU N . 18346 1 112 . 1 1 11 11 GLN H H 1 8.008 0.006 . 1 . . . A 11 GLN H . 18346 1 113 . 1 1 11 11 GLN HA H 1 4.416 0.006 . 1 . . . A 11 GLN HA . 18346 1 114 . 1 1 11 11 GLN HB2 H 1 1.575 0.006 . 2 . . . A 11 GLN HB2 . 18346 1 115 . 1 1 11 11 GLN HB3 H 1 1.735 0.006 . 2 . . . A 11 GLN HB3 . 18346 1 116 . 1 1 11 11 GLN HG2 H 1 2.091 0.006 . 2 . . . A 11 GLN HG2 . 18346 1 117 . 1 1 11 11 GLN HG3 H 1 1.740 0.006 . 2 . . . A 11 GLN HG3 . 18346 1 118 . 1 1 11 11 GLN HE21 H 1 7.094 0.006 . 2 . . . A 11 GLN HE21 . 18346 1 119 . 1 1 11 11 GLN HE22 H 1 6.817 0.006 . 2 . . . A 11 GLN HE22 . 18346 1 120 . 1 1 11 11 GLN CA C 13 54.289 0.16 . 1 . . . A 11 GLN CA . 18346 1 121 . 1 1 11 11 GLN CB C 13 34.098 0.16 . 1 . . . A 11 GLN CB . 18346 1 122 . 1 1 11 11 GLN CG C 13 33.732 0.16 . 1 . . . A 11 GLN CG . 18346 1 123 . 1 1 11 11 GLN N N 15 121.025 0.13 . 1 . . . A 11 GLN N . 18346 1 124 . 1 1 11 11 GLN NE2 N 15 110.488 0.13 . 1 . . . A 11 GLN NE2 . 18346 1 125 . 1 1 12 12 ILE H H 1 9.732 0.006 . 1 . . . A 12 ILE H . 18346 1 126 . 1 1 12 12 ILE HA H 1 4.249 0.006 . 1 . . . A 12 ILE HA . 18346 1 127 . 1 1 12 12 ILE HB H 1 1.562 0.006 . 1 . . . A 12 ILE HB . 18346 1 128 . 1 1 12 12 ILE HG12 H 1 1.668 0.006 . 1 . . . A 12 ILE QG1 . 18346 1 129 . 1 1 12 12 ILE HG13 H 1 1.668 0.006 . 1 . . . A 12 ILE QG1 . 18346 1 130 . 1 1 12 12 ILE HG21 H 1 0.996 0.006 . 1 . . . A 12 ILE QG2 . 18346 1 131 . 1 1 12 12 ILE HG22 H 1 0.996 0.006 . 1 . . . A 12 ILE QG2 . 18346 1 132 . 1 1 12 12 ILE HG23 H 1 0.996 0.006 . 1 . . . A 12 ILE QG2 . 18346 1 133 . 1 1 12 12 ILE HD11 H 1 0.817 0.006 . 1 . . . A 12 ILE QD1 . 18346 1 134 . 1 1 12 12 ILE HD12 H 1 0.817 0.006 . 1 . . . A 12 ILE QD1 . 18346 1 135 . 1 1 12 12 ILE HD13 H 1 0.817 0.006 . 1 . . . A 12 ILE QD1 . 18346 1 136 . 1 1 12 12 ILE CA C 13 63.553 0.16 . 1 . . . A 12 ILE CA . 18346 1 137 . 1 1 12 12 ILE CB C 13 38.447 0.16 . 1 . . . A 12 ILE CB . 18346 1 138 . 1 1 12 12 ILE CG1 C 13 29.859 0.16 . 1 . . . A 12 ILE CG1 . 18346 1 139 . 1 1 12 12 ILE CG2 C 13 18.492 0.16 . 1 . . . A 12 ILE CG2 . 18346 1 140 . 1 1 12 12 ILE CD1 C 13 14.836 0.16 . 1 . . . A 12 ILE CD1 . 18346 1 141 . 1 1 12 12 ILE N N 15 125.160 0.13 . 1 . . . A 12 ILE N . 18346 1 142 . 1 1 13 13 THR H H 1 9.296 0.006 . 1 . . . A 13 THR H . 18346 1 143 . 1 1 13 13 THR HA H 1 4.701 0.006 . 1 . . . A 13 THR HA . 18346 1 144 . 1 1 13 13 THR HB H 1 4.309 0.006 . 1 . . . A 13 THR HB . 18346 1 145 . 1 1 13 13 THR HG21 H 1 1.070 0.006 . 1 . . . A 13 THR QG2 . 18346 1 146 . 1 1 13 13 THR HG22 H 1 1.070 0.006 . 1 . . . A 13 THR QG2 . 18346 1 147 . 1 1 13 13 THR HG23 H 1 1.070 0.006 . 1 . . . A 13 THR QG2 . 18346 1 148 . 1 1 13 13 THR CA C 13 61.698 0.16 . 1 . . . A 13 THR CA . 18346 1 149 . 1 1 13 13 THR CB C 13 69.497 0.16 . 1 . . . A 13 THR CB . 18346 1 150 . 1 1 13 13 THR CG2 C 13 22.384 0.16 . 1 . . . A 13 THR CG2 . 18346 1 151 . 1 1 13 13 THR N N 15 117.703 0.13 . 1 . . . A 13 THR N . 18346 1 152 . 1 1 14 14 GLY H H 1 7.996 0.006 . 1 . . . A 14 GLY H . 18346 1 153 . 1 1 14 14 GLY HA2 H 1 3.845 0.006 . 2 . . . A 14 GLY HA2 . 18346 1 154 . 1 1 14 14 GLY HA3 H 1 5.362 0.006 . 2 . . . A 14 GLY HA3 . 18346 1 155 . 1 1 14 14 GLY CA C 13 46.544 0.16 . 1 . . . A 14 GLY CA . 18346 1 156 . 1 1 14 14 GLY N N 15 110.292 0.13 . 1 . . . A 14 GLY N . 18346 1 157 . 1 1 15 15 ILE H H 1 9.027 0.006 . 1 . . . A 15 ILE H . 18346 1 158 . 1 1 15 15 ILE HA H 1 5.676 0.006 . 1 . . . A 15 ILE HA . 18346 1 159 . 1 1 15 15 ILE HB H 1 1.700 0.006 . 1 . . . A 15 ILE HB . 18346 1 160 . 1 1 15 15 ILE HG12 H 1 1.064 0.006 . 2 . . . A 15 ILE HG12 . 18346 1 161 . 1 1 15 15 ILE HG13 H 1 1.824 0.006 . 2 . . . A 15 ILE HG13 . 18346 1 162 . 1 1 15 15 ILE HG21 H 1 1.016 0.006 . 1 . . . A 15 ILE QG2 . 18346 1 163 . 1 1 15 15 ILE HG22 H 1 1.016 0.006 . 1 . . . A 15 ILE QG2 . 18346 1 164 . 1 1 15 15 ILE HG23 H 1 1.016 0.006 . 1 . . . A 15 ILE QG2 . 18346 1 165 . 1 1 15 15 ILE HD11 H 1 0.671 0.006 . 1 . . . A 15 ILE QD1 . 18346 1 166 . 1 1 15 15 ILE HD12 H 1 0.671 0.006 . 1 . . . A 15 ILE QD1 . 18346 1 167 . 1 1 15 15 ILE HD13 H 1 0.671 0.006 . 1 . . . A 15 ILE QD1 . 18346 1 168 . 1 1 15 15 ILE CA C 13 60.444 0.16 . 1 . . . A 15 ILE CA . 18346 1 169 . 1 1 15 15 ILE CB C 13 44.301 0.16 . 1 . . . A 15 ILE CB . 18346 1 170 . 1 1 15 15 ILE CG1 C 13 29.047 0.16 . 1 . . . A 15 ILE CG1 . 18346 1 171 . 1 1 15 15 ILE CG2 C 13 16.972 0.16 . 1 . . . A 15 ILE CG2 . 18346 1 172 . 1 1 15 15 ILE CD1 C 13 15.292 0.16 . 1 . . . A 15 ILE CD1 . 18346 1 173 . 1 1 15 15 ILE N N 15 120.779 0.13 . 1 . . . A 15 ILE N . 18346 1 174 . 1 1 16 16 THR H H 1 8.638 0.006 . 1 . . . A 16 THR H . 18346 1 175 . 1 1 16 16 THR HA H 1 4.127 0.006 . 1 . . . A 16 THR HA . 18346 1 176 . 1 1 16 16 THR HB H 1 3.694 0.006 . 1 . . . A 16 THR HB . 18346 1 177 . 1 1 16 16 THR HG21 H 1 -0.683 0.006 . 1 . . . A 16 THR QG2 . 18346 1 178 . 1 1 16 16 THR HG22 H 1 -0.683 0.006 . 1 . . . A 16 THR QG2 . 18346 1 179 . 1 1 16 16 THR HG23 H 1 -0.683 0.006 . 1 . . . A 16 THR QG2 . 18346 1 180 . 1 1 16 16 THR CA C 13 60.966 0.16 . 1 . . . A 16 THR CA . 18346 1 181 . 1 1 16 16 THR CB C 13 67.596 0.16 . 1 . . . A 16 THR CB . 18346 1 182 . 1 1 16 16 THR CG2 C 13 16.845 0.16 . 1 . . . A 16 THR CG2 . 18346 1 183 . 1 1 16 16 THR N N 15 117.111 0.13 . 1 . . . A 16 THR N . 18346 1 184 . 1 1 17 17 SER H H 1 8.606 0.006 . 1 . . . A 17 SER H . 18346 1 185 . 1 1 17 17 SER HA H 1 5.502 0.006 . 1 . . . A 17 SER HA . 18346 1 186 . 1 1 17 17 SER HB2 H 1 4.119 0.006 . 2 . . . A 17 SER HB2 . 18346 1 187 . 1 1 17 17 SER HB3 H 1 3.526 0.006 . 2 . . . A 17 SER HB3 . 18346 1 188 . 1 1 17 17 SER CA C 13 57.321 0.16 . 1 . . . A 17 SER CA . 18346 1 189 . 1 1 17 17 SER CB C 13 66.997 0.16 . 1 . . . A 17 SER CB . 18346 1 190 . 1 1 17 17 SER N N 15 111.373 0.13 . 1 . . . A 17 SER N . 18346 1 191 . 1 1 18 18 ASP H H 1 9.272 0.006 . 1 . . . A 18 ASP H . 18346 1 192 . 1 1 18 18 ASP HA H 1 3.403 0.006 . 1 . . . A 18 ASP HA . 18346 1 193 . 1 1 18 18 ASP HB2 H 1 2.680 0.006 . 2 . . . A 18 ASP HB2 . 18346 1 194 . 1 1 18 18 ASP HB3 H 1 2.736 0.006 . 2 . . . A 18 ASP HB3 . 18346 1 195 . 1 1 18 18 ASP CA C 13 56.382 0.16 . 1 . . . A 18 ASP CA . 18346 1 196 . 1 1 18 18 ASP CB C 13 39.421 0.16 . 1 . . . A 18 ASP CB . 18346 1 197 . 1 1 18 18 ASP N N 15 119.183 0.13 . 1 . . . A 18 ASP N . 18346 1 198 . 1 1 19 19 GLY H H 1 7.880 0.006 . 1 . . . A 19 GLY H . 18346 1 199 . 1 1 19 19 GLY HA2 H 1 2.942 0.006 . 2 . . . A 19 GLY HA2 . 18346 1 200 . 1 1 19 19 GLY HA3 H 1 3.986 0.006 . 2 . . . A 19 GLY HA3 . 18346 1 201 . 1 1 19 19 GLY CA C 13 46.455 0.16 . 1 . . . A 19 GLY CA . 18346 1 202 . 1 1 19 19 GLY N N 15 108.000 0.13 . 1 . . . A 19 GLY N . 18346 1 203 . 1 1 20 20 ASN H H 1 6.957 0.006 . 1 . . . A 20 ASN H . 18346 1 204 . 1 1 20 20 ASN HA H 1 4.619 0.006 . 1 . . . A 20 ASN HA . 18346 1 205 . 1 1 20 20 ASN HB2 H 1 2.562 0.006 . 2 . . . A 20 ASN HB2 . 18346 1 206 . 1 1 20 20 ASN HB3 H 1 2.997 0.006 . 2 . . . A 20 ASN HB3 . 18346 1 207 . 1 1 20 20 ASN HD21 H 1 7.840 0.006 . 2 . . . A 20 ASN HD21 . 18346 1 208 . 1 1 20 20 ASN HD22 H 1 7.591 0.006 . 2 . . . A 20 ASN HD22 . 18346 1 209 . 1 1 20 20 ASN CA C 13 52.236 0.16 . 1 . . . A 20 ASN CA . 18346 1 210 . 1 1 20 20 ASN CB C 13 36.085 0.16 . 1 . . . A 20 ASN CB . 18346 1 211 . 1 1 20 20 ASN N N 15 120.069 0.13 . 1 . . . A 20 ASN N . 18346 1 212 . 1 1 20 20 ASN ND2 N 15 108.679 0.13 . 1 . . . A 20 ASN ND2 . 18346 1 213 . 1 1 21 21 ASP H H 1 7.859 0.006 . 1 . . . A 21 ASP H . 18346 1 214 . 1 1 21 21 ASP HA H 1 4.108 0.006 . 1 . . . A 21 ASP HA . 18346 1 215 . 1 1 21 21 ASP HB2 H 1 2.431 0.006 . 2 . . . A 21 ASP HB2 . 18346 1 216 . 1 1 21 21 ASP HB3 H 1 2.889 0.006 . 2 . . . A 21 ASP HB3 . 18346 1 217 . 1 1 21 21 ASP CA C 13 55.822 0.16 . 1 . . . A 21 ASP CA . 18346 1 218 . 1 1 21 21 ASP CB C 13 39.251 0.16 . 1 . . . A 21 ASP CB . 18346 1 219 . 1 1 21 21 ASP N N 15 117.270 0.13 . 1 . . . A 21 ASP N . 18346 1 220 . 1 1 22 22 PHE H H 1 6.915 0.006 . 1 . . . A 22 PHE H . 18346 1 221 . 1 1 22 22 PHE HA H 1 3.230 0.006 . 1 . . . A 22 PHE HA . 18346 1 222 . 1 1 22 22 PHE HB2 H 1 2.888 0.006 . 2 . . . A 22 PHE QB . 18346 1 223 . 1 1 22 22 PHE HB3 H 1 2.888 0.006 . 2 . . . A 22 PHE QB . 18346 1 224 . 1 1 22 22 PHE HD1 H 1 6.414 0.006 . 3 . . . A 22 PHE HD1 . 18346 1 225 . 1 1 22 22 PHE HD2 H 1 6.519 0.006 . 3 . . . A 22 PHE HD2 . 18346 1 226 . 1 1 22 22 PHE HE1 H 1 6.729 0.006 . 3 . . . A 22 PHE QE . 18346 1 227 . 1 1 22 22 PHE HE2 H 1 6.729 0.006 . 3 . . . A 22 PHE QE . 18346 1 228 . 1 1 22 22 PHE CA C 13 59.664 0.16 . 1 . . . A 22 PHE CA . 18346 1 229 . 1 1 22 22 PHE CB C 13 36.228 0.16 . 1 . . . A 22 PHE CB . 18346 1 230 . 1 1 22 22 PHE CD1 C 13 131.652 0.16 . 3 . . . A 22 PHE CD1 . 18346 1 231 . 1 1 22 22 PHE CD2 C 13 131.663 0.16 . 3 . . . A 22 PHE CD2 . 18346 1 232 . 1 1 22 22 PHE CE2 C 13 129.189 0.16 . 3 . . . A 22 PHE CE2 . 18346 1 233 . 1 1 22 22 PHE N N 15 105.457 0.13 . 1 . . . A 22 PHE N . 18346 1 234 . 1 1 23 23 ALA H H 1 6.692 0.006 . 1 . . . A 23 ALA H . 18346 1 235 . 1 1 23 23 ALA HA H 1 4.434 0.006 . 1 . . . A 23 ALA HA . 18346 1 236 . 1 1 23 23 ALA HB1 H 1 1.315 0.006 . 1 . . . A 23 ALA QB . 18346 1 237 . 1 1 23 23 ALA HB2 H 1 1.315 0.006 . 1 . . . A 23 ALA QB . 18346 1 238 . 1 1 23 23 ALA HB3 H 1 1.315 0.006 . 1 . . . A 23 ALA QB . 18346 1 239 . 1 1 23 23 ALA CA C 13 51.650 0.16 . 1 . . . A 23 ALA CA . 18346 1 240 . 1 1 23 23 ALA CB C 13 17.963 0.16 . 1 . . . A 23 ALA CB . 18346 1 241 . 1 1 23 23 ALA N N 15 118.515 0.13 . 1 . . . A 23 ALA N . 18346 1 242 . 1 1 24 24 TRP H H 1 8.660 0.006 . 1 . . . A 24 TRP H . 18346 1 243 . 1 1 24 24 TRP HA H 1 3.946 0.006 . 1 . . . A 24 TRP HA . 18346 1 244 . 1 1 24 24 TRP HB2 H 1 3.084 0.006 . 2 . . . A 24 TRP HB2 . 18346 1 245 . 1 1 24 24 TRP HB3 H 1 2.948 0.006 . 2 . . . A 24 TRP HB3 . 18346 1 246 . 1 1 24 24 TRP HD1 H 1 7.512 0.006 . 1 . . . A 24 TRP HD1 . 18346 1 247 . 1 1 24 24 TRP HE1 H 1 10.147 0.006 . 1 . . . A 24 TRP HE1 . 18346 1 248 . 1 1 24 24 TRP HE3 H 1 7.192 0.006 . 1 . . . A 24 TRP HE3 . 18346 1 249 . 1 1 24 24 TRP HZ2 H 1 7.516 0.006 . 1 . . . A 24 TRP HZ2 . 18346 1 250 . 1 1 24 24 TRP HZ3 H 1 6.736 0.006 . 1 . . . A 24 TRP HZ3 . 18346 1 251 . 1 1 24 24 TRP HH2 H 1 6.972 0.006 . 1 . . . A 24 TRP HH2 . 18346 1 252 . 1 1 24 24 TRP CA C 13 59.969 0.16 . 1 . . . A 24 TRP CA . 18346 1 253 . 1 1 24 24 TRP CB C 13 29.788 0.16 . 1 . . . A 24 TRP CB . 18346 1 254 . 1 1 24 24 TRP CD1 C 13 129.717 0.16 . 1 . . . A 24 TRP CD1 . 18346 1 255 . 1 1 24 24 TRP CE3 C 13 119.658 0.16 . 1 . . . A 24 TRP CE3 . 18346 1 256 . 1 1 24 24 TRP CZ2 C 13 114.740 0.16 . 1 . . . A 24 TRP CZ2 . 18346 1 257 . 1 1 24 24 TRP CZ3 C 13 122.837 0.16 . 1 . . . A 24 TRP CZ3 . 18346 1 258 . 1 1 24 24 TRP CH2 C 13 124.291 0.16 . 1 . . . A 24 TRP CH2 . 18346 1 259 . 1 1 24 24 TRP N N 15 129.573 0.13 . 1 . . . A 24 TRP N . 18346 1 260 . 1 1 24 24 TRP NE1 N 15 127.864 0.13 . 1 . . . A 24 TRP NE1 . 18346 1 261 . 1 1 25 25 ASP H H 1 9.024 0.006 . 1 . . . A 25 ASP H . 18346 1 262 . 1 1 25 25 ASP HA H 1 5.139 0.006 . 1 . . . A 25 ASP HA . 18346 1 263 . 1 1 25 25 ASP HB2 H 1 2.368 0.006 . 2 . . . A 25 ASP HB2 . 18346 1 264 . 1 1 25 25 ASP HB3 H 1 2.773 0.006 . 2 . . . A 25 ASP HB3 . 18346 1 265 . 1 1 25 25 ASP CA C 13 54.279 0.16 . 1 . . . A 25 ASP CA . 18346 1 266 . 1 1 25 25 ASP CB C 13 42.699 0.16 . 1 . . . A 25 ASP CB . 18346 1 267 . 1 1 25 25 ASP N N 15 122.318 0.13 . 1 . . . A 25 ASP N . 18346 1 268 . 1 1 26 26 ASN H H 1 8.724 0.006 . 1 . . . A 26 ASN H . 18346 1 269 . 1 1 26 26 ASN HA H 1 5.113 0.006 . 1 . . . A 26 ASN HA . 18346 1 270 . 1 1 26 26 ASN HB2 H 1 2.753 0.006 . 2 . . . A 26 ASN QB . 18346 1 271 . 1 1 26 26 ASN HB3 H 1 2.753 0.006 . 2 . . . A 26 ASN QB . 18346 1 272 . 1 1 26 26 ASN HD21 H 1 6.789 0.006 . 2 . . . A 26 ASN HD21 . 18346 1 273 . 1 1 26 26 ASN HD22 H 1 7.501 0.006 . 2 . . . A 26 ASN HD22 . 18346 1 274 . 1 1 26 26 ASN CA C 13 53.635 0.16 . 1 . . . A 26 ASN CA . 18346 1 275 . 1 1 26 26 ASN CB C 13 39.832 0.16 . 1 . . . A 26 ASN CB . 18346 1 276 . 1 1 26 26 ASN N N 15 121.192 0.13 . 1 . . . A 26 ASN N . 18346 1 277 . 1 1 26 26 ASN ND2 N 15 111.760 0.13 . 1 . . . A 26 ASN ND2 . 18346 1 278 . 1 1 27 27 LEU H H 1 7.717 0.006 . 1 . . . A 27 LEU H . 18346 1 279 . 1 1 27 27 LEU HA H 1 4.965 0.006 . 1 . . . A 27 LEU HA . 18346 1 280 . 1 1 27 27 LEU HB2 H 1 1.322 0.006 . 2 . . . A 27 LEU HB2 . 18346 1 281 . 1 1 27 27 LEU HB3 H 1 1.405 0.006 . 2 . . . A 27 LEU HB3 . 18346 1 282 . 1 1 27 27 LEU HG H 1 1.524 0.006 . 1 . . . A 27 LEU HG . 18346 1 283 . 1 1 27 27 LEU HD11 H 1 0.744 0.006 . 2 . . . A 27 LEU QD1 . 18346 1 284 . 1 1 27 27 LEU HD12 H 1 0.744 0.006 . 2 . . . A 27 LEU QD1 . 18346 1 285 . 1 1 27 27 LEU HD13 H 1 0.744 0.006 . 2 . . . A 27 LEU QD1 . 18346 1 286 . 1 1 27 27 LEU HD21 H 1 0.695 0.006 . 2 . . . A 27 LEU QD2 . 18346 1 287 . 1 1 27 27 LEU HD22 H 1 0.695 0.006 . 2 . . . A 27 LEU QD2 . 18346 1 288 . 1 1 27 27 LEU HD23 H 1 0.695 0.006 . 2 . . . A 27 LEU QD2 . 18346 1 289 . 1 1 27 27 LEU CA C 13 53.516 0.16 . 1 . . . A 27 LEU CA . 18346 1 290 . 1 1 27 27 LEU CB C 13 45.143 0.16 . 1 . . . A 27 LEU CB . 18346 1 291 . 1 1 27 27 LEU CG C 13 27.221 0.16 . 1 . . . A 27 LEU CG . 18346 1 292 . 1 1 27 27 LEU CD1 C 13 23.893 0.16 . 2 . . . A 27 LEU CD1 . 18346 1 293 . 1 1 27 27 LEU CD2 C 13 27.169 0.16 . 2 . . . A 27 LEU CD2 . 18346 1 294 . 1 1 27 27 LEU N N 15 120.887 0.13 . 1 . . . A 27 LEU N . 18346 1 295 . 1 1 28 28 THR H H 1 8.503 0.006 . 1 . . . A 28 THR H . 18346 1 296 . 1 1 28 28 THR HA H 1 4.645 0.006 . 1 . . . A 28 THR HA . 18346 1 297 . 1 1 28 28 THR HB H 1 4.556 0.006 . 1 . . . A 28 THR HB . 18346 1 298 . 1 1 28 28 THR HG21 H 1 1.227 0.006 . 1 . . . A 28 THR QG2 . 18346 1 299 . 1 1 28 28 THR HG22 H 1 1.227 0.006 . 1 . . . A 28 THR QG2 . 18346 1 300 . 1 1 28 28 THR HG23 H 1 1.227 0.006 . 1 . . . A 28 THR QG2 . 18346 1 301 . 1 1 28 28 THR CA C 13 60.667 0.16 . 1 . . . A 28 THR CA . 18346 1 302 . 1 1 28 28 THR CB C 13 71.081 0.16 . 1 . . . A 28 THR CB . 18346 1 303 . 1 1 28 28 THR CG2 C 13 21.875 0.16 . 1 . . . A 28 THR CG2 . 18346 1 304 . 1 1 28 28 THR N N 15 111.864 0.13 . 1 . . . A 28 THR N . 18346 1 305 . 1 1 29 29 SER H H 1 8.632 0.006 . 1 . . . A 29 SER H . 18346 1 306 . 1 1 29 29 SER HA H 1 4.145 0.006 . 1 . . . A 29 SER HA . 18346 1 307 . 1 1 29 29 SER HB2 H 1 3.884 0.006 . 2 . . . A 29 SER HB2 . 18346 1 308 . 1 1 29 29 SER HB3 H 1 3.942 0.006 . 2 . . . A 29 SER HB3 . 18346 1 309 . 1 1 29 29 SER CA C 13 61.268 0.16 . 1 . . . A 29 SER CA . 18346 1 310 . 1 1 29 29 SER CB C 13 63.402 0.16 . 1 . . . A 29 SER CB . 18346 1 311 . 1 1 29 29 SER N N 15 114.057 0.13 . 1 . . . A 29 SER N . 18346 1 312 . 1 1 30 30 SER H H 1 7.840 0.006 . 1 . . . A 30 SER H . 18346 1 313 . 1 1 30 30 SER HA H 1 4.438 0.006 . 1 . . . A 30 SER HA . 18346 1 314 . 1 1 30 30 SER HB2 H 1 3.941 0.006 . 2 . . . A 30 SER HB2 . 18346 1 315 . 1 1 30 30 SER HB3 H 1 3.820 0.006 . 2 . . . A 30 SER HB3 . 18346 1 316 . 1 1 30 30 SER CA C 13 58.571 0.16 . 1 . . . A 30 SER CA . 18346 1 317 . 1 1 30 30 SER CB C 13 63.762 0.16 . 1 . . . A 30 SER CB . 18346 1 318 . 1 1 30 30 SER N N 15 111.758 0.13 . 1 . . . A 30 SER N . 18346 1 319 . 1 1 31 31 GLN H H 1 7.385 0.006 . 1 . . . A 31 GLN H . 18346 1 320 . 1 1 31 31 GLN HA H 1 4.330 0.006 . 1 . . . A 31 GLN HA . 18346 1 321 . 1 1 31 31 GLN HB2 H 1 2.218 0.006 . 2 . . . A 31 GLN HB2 . 18346 1 322 . 1 1 31 31 GLN HB3 H 1 1.992 0.006 . 2 . . . A 31 GLN HB3 . 18346 1 323 . 1 1 31 31 GLN HG2 H 1 2.401 0.006 . 2 . . . A 31 GLN HG2 . 18346 1 324 . 1 1 31 31 GLN HG3 H 1 2.367 0.006 . 2 . . . A 31 GLN HG3 . 18346 1 325 . 1 1 31 31 GLN HE21 H 1 6.876 0.006 . 2 . . . A 31 GLN HE21 . 18346 1 326 . 1 1 31 31 GLN HE22 H 1 7.512 0.006 . 2 . . . A 31 GLN HE22 . 18346 1 327 . 1 1 31 31 GLN CA C 13 57.007 0.16 . 1 . . . A 31 GLN CA . 18346 1 328 . 1 1 31 31 GLN CB C 13 30.579 0.16 . 1 . . . A 31 GLN CB . 18346 1 329 . 1 1 31 31 GLN CG C 13 35.018 0.16 . 1 . . . A 31 GLN CG . 18346 1 330 . 1 1 31 31 GLN N N 15 121.686 0.13 . 1 . . . A 31 GLN N . 18346 1 331 . 1 1 31 31 GLN NE2 N 15 108.584 0.13 . 1 . . . A 31 GLN NE2 . 18346 1 332 . 1 1 32 32 THR H H 1 8.275 0.006 . 1 . . . A 32 THR H . 18346 1 333 . 1 1 32 32 THR HA H 1 4.594 0.006 . 1 . . . A 32 THR HA . 18346 1 334 . 1 1 32 32 THR HB H 1 4.670 0.006 . 1 . . . A 32 THR HB . 18346 1 335 . 1 1 32 32 THR HG21 H 1 1.146 0.006 . 1 . . . A 32 THR QG2 . 18346 1 336 . 1 1 32 32 THR HG22 H 1 1.146 0.006 . 1 . . . A 32 THR QG2 . 18346 1 337 . 1 1 32 32 THR HG23 H 1 1.146 0.006 . 1 . . . A 32 THR QG2 . 18346 1 338 . 1 1 32 32 THR CA C 13 61.696 0.16 . 1 . . . A 32 THR CA . 18346 1 339 . 1 1 32 32 THR CB C 13 69.776 0.16 . 1 . . . A 32 THR CB . 18346 1 340 . 1 1 32 32 THR CG2 C 13 22.033 0.16 . 1 . . . A 32 THR CG2 . 18346 1 341 . 1 1 32 32 THR N N 15 110.118 0.13 . 1 . . . A 32 THR N . 18346 1 342 . 1 1 33 33 LYS H H 1 7.418 0.006 . 1 . . . A 33 LYS H . 18346 1 343 . 1 1 33 33 LYS HA H 1 5.196 0.006 . 1 . . . A 33 LYS HA . 18346 1 344 . 1 1 33 33 LYS HB2 H 1 1.668 0.006 . 2 . . . A 33 LYS HB2 . 18346 1 345 . 1 1 33 33 LYS HB3 H 1 1.635 0.006 . 2 . . . A 33 LYS HB3 . 18346 1 346 . 1 1 33 33 LYS HG2 H 1 1.427 0.006 . 2 . . . A 33 LYS HG2 . 18346 1 347 . 1 1 33 33 LYS HG3 H 1 1.227 0.006 . 2 . . . A 33 LYS HG3 . 18346 1 348 . 1 1 33 33 LYS HD2 H 1 1.584 0.006 . 2 . . . A 33 LYS QD . 18346 1 349 . 1 1 33 33 LYS HD3 H 1 1.584 0.006 . 2 . . . A 33 LYS QD . 18346 1 350 . 1 1 33 33 LYS HE2 H 1 2.853 0.006 . 2 . . . A 33 LYS QE . 18346 1 351 . 1 1 33 33 LYS HE3 H 1 2.853 0.006 . 2 . . . A 33 LYS QE . 18346 1 352 . 1 1 33 33 LYS CA C 13 54.138 0.16 . 1 . . . A 33 LYS CA . 18346 1 353 . 1 1 33 33 LYS CB C 13 35.450 0.16 . 1 . . . A 33 LYS CB . 18346 1 354 . 1 1 33 33 LYS CG C 13 24.697 0.16 . 1 . . . A 33 LYS CG . 18346 1 355 . 1 1 33 33 LYS CD C 13 29.605 0.16 . 1 . . . A 33 LYS CD . 18346 1 356 . 1 1 33 33 LYS CE C 13 41.780 0.16 . 1 . . . A 33 LYS CE . 18346 1 357 . 1 1 33 33 LYS N N 15 120.068 0.13 . 1 . . . A 33 LYS N . 18346 1 358 . 1 1 34 34 ALA H H 1 8.652 0.006 . 1 . . . A 34 ALA H . 18346 1 359 . 1 1 34 34 ALA HA H 1 4.242 0.006 . 1 . . . A 34 ALA HA . 18346 1 360 . 1 1 34 34 ALA HB1 H 1 1.635 0.006 . 1 . . . A 34 ALA QB . 18346 1 361 . 1 1 34 34 ALA HB2 H 1 1.635 0.006 . 1 . . . A 34 ALA QB . 18346 1 362 . 1 1 34 34 ALA HB3 H 1 1.635 0.006 . 1 . . . A 34 ALA QB . 18346 1 363 . 1 1 34 34 ALA CA C 13 50.728 0.16 . 1 . . . A 34 ALA CA . 18346 1 364 . 1 1 34 34 ALA CB C 13 17.487 0.16 . 1 . . . A 34 ALA CB . 18346 1 365 . 1 1 34 34 ALA N N 15 128.412 0.13 . 1 . . . A 34 ALA N . 18346 1 366 . 1 1 35 35 PRO HA H 1 4.249 0.006 . 1 . . . A 35 PRO HA . 18346 1 367 . 1 1 35 35 PRO HB2 H 1 1.859 0.006 . 2 . . . A 35 PRO HB2 . 18346 1 368 . 1 1 35 35 PRO HB3 H 1 2.180 0.006 . 2 . . . A 35 PRO HB3 . 18346 1 369 . 1 1 35 35 PRO HG2 H 1 1.896 0.006 . 2 . . . A 35 PRO HG2 . 18346 1 370 . 1 1 35 35 PRO HG3 H 1 2.189 0.006 . 2 . . . A 35 PRO HG3 . 18346 1 371 . 1 1 35 35 PRO HD2 H 1 3.697 0.006 . 2 . . . A 35 PRO HD2 . 18346 1 372 . 1 1 35 35 PRO HD3 H 1 3.514 0.006 . 2 . . . A 35 PRO HD3 . 18346 1 373 . 1 1 35 35 PRO CA C 13 64.902 0.16 . 1 . . . A 35 PRO CA . 18346 1 374 . 1 1 35 35 PRO CB C 13 32.737 0.16 . 1 . . . A 35 PRO CB . 18346 1 375 . 1 1 35 35 PRO CG C 13 27.411 0.16 . 1 . . . A 35 PRO CG . 18346 1 376 . 1 1 35 35 PRO CD C 13 50.456 0.16 . 1 . . . A 35 PRO CD . 18346 1 377 . 1 1 36 36 ASN H H 1 8.461 0.006 . 1 . . . A 36 ASN H . 18346 1 378 . 1 1 36 36 ASN HA H 1 5.118 0.006 . 1 . . . A 36 ASN HA . 18346 1 379 . 1 1 36 36 ASN HB2 H 1 2.541 0.006 . 2 . . . A 36 ASN HB2 . 18346 1 380 . 1 1 36 36 ASN HB3 H 1 2.430 0.006 . 2 . . . A 36 ASN HB3 . 18346 1 381 . 1 1 36 36 ASN HD21 H 1 6.787 0.006 . 2 . . . A 36 ASN HD21 . 18346 1 382 . 1 1 36 36 ASN HD22 H 1 8.418 0.006 . 2 . . . A 36 ASN HD22 . 18346 1 383 . 1 1 36 36 ASN CA C 13 51.766 0.16 . 1 . . . A 36 ASN CA . 18346 1 384 . 1 1 36 36 ASN CB C 13 42.006 0.16 . 1 . . . A 36 ASN CB . 18346 1 385 . 1 1 36 36 ASN N N 15 114.604 0.13 . 1 . . . A 36 ASN N . 18346 1 386 . 1 1 36 36 ASN ND2 N 15 116.815 0.13 . 1 . . . A 36 ASN ND2 . 18346 1 387 . 1 1 37 37 VAL H H 1 8.401 0.006 . 1 . . . A 37 VAL H . 18346 1 388 . 1 1 37 37 VAL HA H 1 3.640 0.006 . 1 . . . A 37 VAL HA . 18346 1 389 . 1 1 37 37 VAL HB H 1 1.736 0.006 . 1 . . . A 37 VAL HB . 18346 1 390 . 1 1 37 37 VAL HG11 H 1 0.840 0.006 . 2 . . . A 37 VAL QG1 . 18346 1 391 . 1 1 37 37 VAL HG12 H 1 0.840 0.006 . 2 . . . A 37 VAL QG1 . 18346 1 392 . 1 1 37 37 VAL HG13 H 1 0.840 0.006 . 2 . . . A 37 VAL QG1 . 18346 1 393 . 1 1 37 37 VAL HG21 H 1 0.609 0.006 . 2 . . . A 37 VAL QG2 . 18346 1 394 . 1 1 37 37 VAL HG22 H 1 0.609 0.006 . 2 . . . A 37 VAL QG2 . 18346 1 395 . 1 1 37 37 VAL HG23 H 1 0.609 0.006 . 2 . . . A 37 VAL QG2 . 18346 1 396 . 1 1 37 37 VAL CA C 13 63.885 0.16 . 1 . . . A 37 VAL CA . 18346 1 397 . 1 1 37 37 VAL CB C 13 32.377 0.16 . 1 . . . A 37 VAL CB . 18346 1 398 . 1 1 37 37 VAL CG1 C 13 22.325 0.16 . 2 . . . A 37 VAL CG1 . 18346 1 399 . 1 1 37 37 VAL CG2 C 13 21.232 0.16 . 2 . . . A 37 VAL CG2 . 18346 1 400 . 1 1 37 37 VAL N N 15 122.749 0.13 . 1 . . . A 37 VAL N . 18346 1 401 . 1 1 38 38 LEU H H 1 8.614 0.006 . 1 . . . A 38 LEU H . 18346 1 402 . 1 1 38 38 LEU HA H 1 4.332 0.006 . 1 . . . A 38 LEU HA . 18346 1 403 . 1 1 38 38 LEU HB2 H 1 1.679 0.006 . 2 . . . A 38 LEU HB2 . 18346 1 404 . 1 1 38 38 LEU HB3 H 1 0.741 0.006 . 2 . . . A 38 LEU HB3 . 18346 1 405 . 1 1 38 38 LEU HG H 1 1.655 0.006 . 1 . . . A 38 LEU HG . 18346 1 406 . 1 1 38 38 LEU HD11 H 1 0.228 0.006 . 2 . . . A 38 LEU QD1 . 18346 1 407 . 1 1 38 38 LEU HD12 H 1 0.228 0.006 . 2 . . . A 38 LEU QD1 . 18346 1 408 . 1 1 38 38 LEU HD13 H 1 0.228 0.006 . 2 . . . A 38 LEU QD1 . 18346 1 409 . 1 1 38 38 LEU HD21 H 1 0.535 0.006 . 2 . . . A 38 LEU QD2 . 18346 1 410 . 1 1 38 38 LEU HD22 H 1 0.535 0.006 . 2 . . . A 38 LEU QD2 . 18346 1 411 . 1 1 38 38 LEU HD23 H 1 0.535 0.006 . 2 . . . A 38 LEU QD2 . 18346 1 412 . 1 1 38 38 LEU CA C 13 54.051 0.16 . 1 . . . A 38 LEU CA . 18346 1 413 . 1 1 38 38 LEU CB C 13 41.542 0.16 . 1 . . . A 38 LEU CB . 18346 1 414 . 1 1 38 38 LEU CG C 13 26.596 0.16 . 1 . . . A 38 LEU CG . 18346 1 415 . 1 1 38 38 LEU CD1 C 13 27.298 0.16 . 2 . . . A 38 LEU CD1 . 18346 1 416 . 1 1 38 38 LEU CD2 C 13 23.252 0.16 . 2 . . . A 38 LEU CD2 . 18346 1 417 . 1 1 38 38 LEU N N 15 127.355 0.13 . 1 . . . A 38 LEU N . 18346 1 418 . 1 1 39 39 LYS H H 1 7.744 0.006 . 1 . . . A 39 LYS H . 18346 1 419 . 1 1 39 39 LYS HA H 1 4.398 0.006 . 1 . . . A 39 LYS HA . 18346 1 420 . 1 1 39 39 LYS HB2 H 1 1.455 0.006 . 2 . . . A 39 LYS HB2 . 18346 1 421 . 1 1 39 39 LYS HB3 H 1 1.641 0.006 . 2 . . . A 39 LYS HB3 . 18346 1 422 . 1 1 39 39 LYS HG2 H 1 1.323 0.006 . 2 . . . A 39 LYS HG2 . 18346 1 423 . 1 1 39 39 LYS HG3 H 1 1.261 0.006 . 2 . . . A 39 LYS HG3 . 18346 1 424 . 1 1 39 39 LYS HD2 H 1 1.505 0.006 . 2 . . . A 39 LYS HD2 . 18346 1 425 . 1 1 39 39 LYS HD3 H 1 1.605 0.006 . 2 . . . A 39 LYS HD3 . 18346 1 426 . 1 1 39 39 LYS HE2 H 1 2.851 0.006 . 2 . . . A 39 LYS QE . 18346 1 427 . 1 1 39 39 LYS HE3 H 1 2.851 0.006 . 2 . . . A 39 LYS QE . 18346 1 428 . 1 1 39 39 LYS CA C 13 56.150 0.16 . 1 . . . A 39 LYS CA . 18346 1 429 . 1 1 39 39 LYS CB C 13 33.264 0.16 . 1 . . . A 39 LYS CB . 18346 1 430 . 1 1 39 39 LYS CG C 13 25.657 0.16 . 1 . . . A 39 LYS CG . 18346 1 431 . 1 1 39 39 LYS CD C 13 28.953 0.16 . 1 . . . A 39 LYS CD . 18346 1 432 . 1 1 39 39 LYS CE C 13 41.621 0.16 . 1 . . . A 39 LYS CE . 18346 1 433 . 1 1 39 39 LYS N N 15 121.057 0.13 . 1 . . . A 39 LYS N . 18346 1 434 . 1 1 40 40 GLY H H 1 9.081 0.006 . 1 . . . A 40 GLY H . 18346 1 435 . 1 1 40 40 GLY HA2 H 1 4.242 0.006 . 2 . . . A 40 GLY HA2 . 18346 1 436 . 1 1 40 40 GLY HA3 H 1 3.651 0.006 . 2 . . . A 40 GLY HA3 . 18346 1 437 . 1 1 40 40 GLY CA C 13 44.866 0.16 . 1 . . . A 40 GLY CA . 18346 1 438 . 1 1 40 40 GLY N N 15 108.549 0.13 . 1 . . . A 40 GLY N . 18346 1 439 . 1 1 41 41 ASN H H 1 9.194 0.006 . 1 . . . A 41 ASN H . 18346 1 440 . 1 1 41 41 ASN HA H 1 5.045 0.006 . 1 . . . A 41 ASN HA . 18346 1 441 . 1 1 41 41 ASN HB2 H 1 2.728 0.006 . 2 . . . A 41 ASN QB . 18346 1 442 . 1 1 41 41 ASN HB3 H 1 2.728 0.006 . 2 . . . A 41 ASN QB . 18346 1 443 . 1 1 41 41 ASN HD21 H 1 6.798 0.006 . 2 . . . A 41 ASN HD21 . 18346 1 444 . 1 1 41 41 ASN HD22 H 1 7.572 0.006 . 2 . . . A 41 ASN HD22 . 18346 1 445 . 1 1 41 41 ASN CA C 13 54.501 0.16 . 1 . . . A 41 ASN CA . 18346 1 446 . 1 1 41 41 ASN CB C 13 42.406 0.16 . 1 . . . A 41 ASN CB . 18346 1 447 . 1 1 41 41 ASN N N 15 116.858 0.13 . 1 . . . A 41 ASN N . 18346 1 448 . 1 1 41 41 ASN ND2 N 15 112.091 0.13 . 1 . . . A 41 ASN ND2 . 18346 1 449 . 1 1 42 42 LYS H H 1 9.008 0.006 . 1 . . . A 42 LYS H . 18346 1 450 . 1 1 42 42 LYS HA H 1 4.536 0.006 . 1 . . . A 42 LYS HA . 18346 1 451 . 1 1 42 42 LYS HB2 H 1 1.546 0.006 . 2 . . . A 42 LYS HB2 . 18346 1 452 . 1 1 42 42 LYS HB3 H 1 1.126 0.006 . 2 . . . A 42 LYS HB3 . 18346 1 453 . 1 1 42 42 LYS HG2 H 1 1.052 0.006 . 2 . . . A 42 LYS HG2 . 18346 1 454 . 1 1 42 42 LYS HG3 H 1 1.307 0.006 . 2 . . . A 42 LYS HG3 . 18346 1 455 . 1 1 42 42 LYS HD2 H 1 1.464 0.006 . 2 . . . A 42 LYS HD2 . 18346 1 456 . 1 1 42 42 LYS HD3 H 1 1.521 0.006 . 2 . . . A 42 LYS HD3 . 18346 1 457 . 1 1 42 42 LYS HE2 H 1 2.782 0.006 . 2 . . . A 42 LYS QE . 18346 1 458 . 1 1 42 42 LYS HE3 H 1 2.782 0.006 . 2 . . . A 42 LYS QE . 18346 1 459 . 1 1 42 42 LYS CA C 13 56.312 0.16 . 1 . . . A 42 LYS CA . 18346 1 460 . 1 1 42 42 LYS CB C 13 36.099 0.16 . 1 . . . A 42 LYS CB . 18346 1 461 . 1 1 42 42 LYS CG C 13 25.545 0.16 . 1 . . . A 42 LYS CG . 18346 1 462 . 1 1 42 42 LYS CD C 13 29.821 0.16 . 1 . . . A 42 LYS CD . 18346 1 463 . 1 1 42 42 LYS CE C 13 42.444 0.16 . 1 . . . A 42 LYS CE . 18346 1 464 . 1 1 42 42 LYS N N 15 122.525 0.13 . 1 . . . A 42 LYS N . 18346 1 465 . 1 1 43 43 LEU H H 1 8.646 0.006 . 1 . . . A 43 LEU H . 18346 1 466 . 1 1 43 43 LEU HA H 1 4.286 0.006 . 1 . . . A 43 LEU HA . 18346 1 467 . 1 1 43 43 LEU HB2 H 1 1.678 0.006 . 2 . . . A 43 LEU HB2 . 18346 1 468 . 1 1 43 43 LEU HB3 H 1 1.137 0.006 . 2 . . . A 43 LEU HB3 . 18346 1 469 . 1 1 43 43 LEU HG H 1 0.426 0.006 . 1 . . . A 43 LEU HG . 18346 1 470 . 1 1 43 43 LEU HD11 H 1 0.331 0.006 . 2 . . . A 43 LEU QD1 . 18346 1 471 . 1 1 43 43 LEU HD12 H 1 0.331 0.006 . 2 . . . A 43 LEU QD1 . 18346 1 472 . 1 1 43 43 LEU HD13 H 1 0.331 0.006 . 2 . . . A 43 LEU QD1 . 18346 1 473 . 1 1 43 43 LEU CA C 13 53.263 0.16 . 1 . . . A 43 LEU CA . 18346 1 474 . 1 1 43 43 LEU CB C 13 45.258 0.16 . 1 . . . A 43 LEU CB . 18346 1 475 . 1 1 43 43 LEU CG C 13 27.254 0.16 . 1 . . . A 43 LEU CG . 18346 1 476 . 1 1 43 43 LEU CD1 C 13 24.917 0.16 . 2 . . . A 43 LEU CD1 . 18346 1 477 . 1 1 43 43 LEU N N 15 123.591 0.13 . 1 . . . A 43 LEU N . 18346 1 478 . 1 1 44 44 TYR H H 1 8.332 0.006 . 1 . . . A 44 TYR H . 18346 1 479 . 1 1 44 44 TYR HA H 1 5.817 0.006 . 1 . . . A 44 TYR HA . 18346 1 480 . 1 1 44 44 TYR HB2 H 1 2.175 0.006 . 2 . . . A 44 TYR HB2 . 18346 1 481 . 1 1 44 44 TYR HB3 H 1 2.868 0.006 . 2 . . . A 44 TYR HB3 . 18346 1 482 . 1 1 44 44 TYR HD1 H 1 6.759 0.006 . 3 . . . A 44 TYR QD . 18346 1 483 . 1 1 44 44 TYR HD2 H 1 6.759 0.006 . 3 . . . A 44 TYR QD . 18346 1 484 . 1 1 44 44 TYR HE1 H 1 6.308 0.006 . 3 . . . A 44 TYR QE . 18346 1 485 . 1 1 44 44 TYR HE2 H 1 6.308 0.006 . 3 . . . A 44 TYR QE . 18346 1 486 . 1 1 44 44 TYR CA C 13 56.192 0.16 . 1 . . . A 44 TYR CA . 18346 1 487 . 1 1 44 44 TYR CB C 13 41.330 0.16 . 1 . . . A 44 TYR CB . 18346 1 488 . 1 1 44 44 TYR CD1 C 13 132.981 0.16 . 3 . . . A 44 TYR CD1 . 18346 1 489 . 1 1 44 44 TYR CE1 C 13 119.672 0.16 . 3 . . . A 44 TYR CE1 . 18346 1 490 . 1 1 44 44 TYR N N 15 122.012 0.13 . 1 . . . A 44 TYR N . 18346 1 491 . 1 1 45 45 VAL H H 1 8.929 0.006 . 1 . . . A 45 VAL H . 18346 1 492 . 1 1 45 45 VAL HA H 1 5.229 0.006 . 1 . . . A 45 VAL HA . 18346 1 493 . 1 1 45 45 VAL HB H 1 2.044 0.006 . 1 . . . A 45 VAL HB . 18346 1 494 . 1 1 45 45 VAL HG11 H 1 0.932 0.006 . 2 . . . A 45 VAL QG1 . 18346 1 495 . 1 1 45 45 VAL HG12 H 1 0.932 0.006 . 2 . . . A 45 VAL QG1 . 18346 1 496 . 1 1 45 45 VAL HG13 H 1 0.932 0.006 . 2 . . . A 45 VAL QG1 . 18346 1 497 . 1 1 45 45 VAL HG21 H 1 1.018 0.006 . 2 . . . A 45 VAL QG2 . 18346 1 498 . 1 1 45 45 VAL HG22 H 1 1.018 0.006 . 2 . . . A 45 VAL QG2 . 18346 1 499 . 1 1 45 45 VAL HG23 H 1 1.018 0.006 . 2 . . . A 45 VAL QG2 . 18346 1 500 . 1 1 45 45 VAL CA C 13 59.920 0.16 . 1 . . . A 45 VAL CA . 18346 1 501 . 1 1 45 45 VAL CB C 13 37.170 0.16 . 1 . . . A 45 VAL CB . 18346 1 502 . 1 1 45 45 VAL CG1 C 13 22.008 0.16 . 2 . . . A 45 VAL CG1 . 18346 1 503 . 1 1 45 45 VAL CG2 C 13 23.058 0.16 . 2 . . . A 45 VAL CG2 . 18346 1 504 . 1 1 45 45 VAL N N 15 115.435 0.13 . 1 . . . A 45 VAL N . 18346 1 505 . 1 1 46 46 LYS H H 1 8.572 0.006 . 1 . . . A 46 LYS H . 18346 1 506 . 1 1 46 46 LYS HA H 1 4.860 0.006 . 1 . . . A 46 LYS HA . 18346 1 507 . 1 1 46 46 LYS HB2 H 1 0.933 0.006 . 2 . . . A 46 LYS HB2 . 18346 1 508 . 1 1 46 46 LYS HB3 H 1 0.656 0.006 . 2 . . . A 46 LYS HB3 . 18346 1 509 . 1 1 46 46 LYS HG2 H 1 0.454 0.006 . 2 . . . A 46 LYS HG2 . 18346 1 510 . 1 1 46 46 LYS HG3 H 1 -0.140 0.006 . 2 . . . A 46 LYS HG3 . 18346 1 511 . 1 1 46 46 LYS HD2 H 1 0.643 0.006 . 2 . . . A 46 LYS HD2 . 18346 1 512 . 1 1 46 46 LYS HD3 H 1 0.711 0.006 . 2 . . . A 46 LYS HD3 . 18346 1 513 . 1 1 46 46 LYS HE2 H 1 2.252 0.006 . 2 . . . A 46 LYS HE2 . 18346 1 514 . 1 1 46 46 LYS HE3 H 1 2.194 0.006 . 2 . . . A 46 LYS HE3 . 18346 1 515 . 1 1 46 46 LYS CA C 13 54.298 0.16 . 1 . . . A 46 LYS CA . 18346 1 516 . 1 1 46 46 LYS CB C 13 35.443 0.16 . 1 . . . A 46 LYS CB . 18346 1 517 . 1 1 46 46 LYS CG C 13 24.006 0.16 . 1 . . . A 46 LYS CG . 18346 1 518 . 1 1 46 46 LYS CD C 13 29.829 0.16 . 1 . . . A 46 LYS CD . 18346 1 519 . 1 1 46 46 LYS CE C 13 41.862 0.16 . 1 . . . A 46 LYS CE . 18346 1 520 . 1 1 46 46 LYS N N 15 125.844 0.13 . 1 . . . A 46 LYS N . 18346 1 521 . 1 1 47 47 ALA H H 1 9.421 0.006 . 1 . . . A 47 ALA H . 18346 1 522 . 1 1 47 47 ALA HA H 1 5.251 0.006 . 1 . . . A 47 ALA HA . 18346 1 523 . 1 1 47 47 ALA HB1 H 1 1.177 0.006 . 1 . . . A 47 ALA QB . 18346 1 524 . 1 1 47 47 ALA HB2 H 1 1.177 0.006 . 1 . . . A 47 ALA QB . 18346 1 525 . 1 1 47 47 ALA HB3 H 1 1.177 0.006 . 1 . . . A 47 ALA QB . 18346 1 526 . 1 1 47 47 ALA CA C 13 50.712 0.16 . 1 . . . A 47 ALA CA . 18346 1 527 . 1 1 47 47 ALA CB C 13 23.887 0.16 . 1 . . . A 47 ALA CB . 18346 1 528 . 1 1 47 47 ALA N N 15 126.925 0.13 . 1 . . . A 47 ALA N . 18346 1 529 . 1 1 48 48 ARG H H 1 8.971 0.006 . 1 . . . A 48 ARG H . 18346 1 530 . 1 1 48 48 ARG HA H 1 5.347 0.006 . 1 . . . A 48 ARG HA . 18346 1 531 . 1 1 48 48 ARG HB2 H 1 1.940 0.006 . 2 . . . A 48 ARG HB2 . 18346 1 532 . 1 1 48 48 ARG HB3 H 1 1.747 0.006 . 2 . . . A 48 ARG HB3 . 18346 1 533 . 1 1 48 48 ARG HG2 H 1 1.298 0.006 . 2 . . . A 48 ARG HG2 . 18346 1 534 . 1 1 48 48 ARG HG3 H 1 1.447 0.006 . 2 . . . A 48 ARG HG3 . 18346 1 535 . 1 1 48 48 ARG HD2 H 1 2.976 0.006 . 2 . . . A 48 ARG HD2 . 18346 1 536 . 1 1 48 48 ARG HD3 H 1 3.084 0.006 . 2 . . . A 48 ARG HD3 . 18346 1 537 . 1 1 48 48 ARG HE H 1 8.825 0.006 . 1 . . . A 48 ARG HE . 18346 1 538 . 1 1 48 48 ARG CA C 13 55.495 0.16 . 1 . . . A 48 ARG CA . 18346 1 539 . 1 1 48 48 ARG CB C 13 32.687 0.16 . 1 . . . A 48 ARG CB . 18346 1 540 . 1 1 48 48 ARG CG C 13 27.160 0.16 . 1 . . . A 48 ARG CG . 18346 1 541 . 1 1 48 48 ARG CD C 13 42.949 0.16 . 1 . . . A 48 ARG CD . 18346 1 542 . 1 1 48 48 ARG N N 15 122.897 0.13 . 1 . . . A 48 ARG N . 18346 1 543 . 1 1 48 48 ARG NE N 15 84.297 0.13 . 1 . . . A 48 ARG NE . 18346 1 544 . 1 1 49 49 PHE H H 1 9.532 0.006 . 1 . . . A 49 PHE H . 18346 1 545 . 1 1 49 49 PHE HA H 1 5.036 0.006 . 1 . . . A 49 PHE HA . 18346 1 546 . 1 1 49 49 PHE HB2 H 1 3.509 0.006 . 2 . . . A 49 PHE HB2 . 18346 1 547 . 1 1 49 49 PHE HB3 H 1 2.862 0.006 . 2 . . . A 49 PHE HB3 . 18346 1 548 . 1 1 49 49 PHE HD1 H 1 7.340 0.006 . 3 . . . A 49 PHE QD . 18346 1 549 . 1 1 49 49 PHE HD2 H 1 7.340 0.006 . 3 . . . A 49 PHE QD . 18346 1 550 . 1 1 49 49 PHE HE1 H 1 7.168 0.006 . 3 . . . A 49 PHE QE . 18346 1 551 . 1 1 49 49 PHE HE2 H 1 7.168 0.006 . 3 . . . A 49 PHE QE . 18346 1 552 . 1 1 49 49 PHE HZ H 1 7.047 0.006 . 1 . . . A 49 PHE HZ . 18346 1 553 . 1 1 49 49 PHE CA C 13 55.820 0.16 . 1 . . . A 49 PHE CA . 18346 1 554 . 1 1 49 49 PHE CB C 13 41.379 0.16 . 1 . . . A 49 PHE CB . 18346 1 555 . 1 1 49 49 PHE CD1 C 13 132.689 0.16 . 3 . . . A 49 PHE CD1 . 18346 1 556 . 1 1 49 49 PHE CE1 C 13 131.685 0.16 . 3 . . . A 49 PHE CE1 . 18346 1 557 . 1 1 49 49 PHE CZ C 13 129.807 0.16 . 1 . . . A 49 PHE CZ . 18346 1 558 . 1 1 49 49 PHE N N 15 125.947 0.13 . 1 . . . A 49 PHE N . 18346 1 559 . 1 1 50 50 MET H H 1 8.463 0.006 . 1 . . . A 50 MET H . 18346 1 560 . 1 1 50 50 MET HA H 1 5.043 0.006 . 1 . . . A 50 MET HA . 18346 1 561 . 1 1 50 50 MET HB2 H 1 1.744 0.006 . 2 . . . A 50 MET QB . 18346 1 562 . 1 1 50 50 MET HB3 H 1 1.744 0.006 . 2 . . . A 50 MET QB . 18346 1 563 . 1 1 50 50 MET HG2 H 1 2.065 0.006 . 2 . . . A 50 MET HG2 . 18346 1 564 . 1 1 50 50 MET HG3 H 1 2.250 0.006 . 2 . . . A 50 MET HG3 . 18346 1 565 . 1 1 50 50 MET HE1 H 1 1.742 0.006 . 1 . . . A 50 MET QE . 18346 1 566 . 1 1 50 50 MET HE2 H 1 1.742 0.006 . 1 . . . A 50 MET QE . 18346 1 567 . 1 1 50 50 MET HE3 H 1 1.742 0.006 . 1 . . . A 50 MET QE . 18346 1 568 . 1 1 50 50 MET CA C 13 54.494 0.16 . 1 . . . A 50 MET CA . 18346 1 569 . 1 1 50 50 MET CB C 13 33.356 0.16 . 1 . . . A 50 MET CB . 18346 1 570 . 1 1 50 50 MET CG C 13 32.124 0.16 . 1 . . . A 50 MET CG . 18346 1 571 . 1 1 50 50 MET CE C 13 16.707 0.16 . 1 . . . A 50 MET CE . 18346 1 572 . 1 1 50 50 MET N N 15 117.441 0.13 . 1 . . . A 50 MET N . 18346 1 573 . 1 1 51 51 GLY H H 1 7.771 0.006 . 1 . . . A 51 GLY H . 18346 1 574 . 1 1 51 51 GLY HA2 H 1 3.947 0.006 . 2 . . . A 51 GLY HA2 . 18346 1 575 . 1 1 51 51 GLY HA3 H 1 4.399 0.006 . 2 . . . A 51 GLY HA3 . 18346 1 576 . 1 1 51 51 GLY CA C 13 44.748 0.16 . 1 . . . A 51 GLY CA . 18346 1 577 . 1 1 51 51 GLY N N 15 110.428 0.13 . 1 . . . A 51 GLY N . 18346 1 578 . 1 1 52 52 TYR H H 1 8.714 0.006 . 1 . . . A 52 TYR H . 18346 1 579 . 1 1 52 52 TYR HA H 1 4.635 0.006 . 1 . . . A 52 TYR HA . 18346 1 580 . 1 1 52 52 TYR HB2 H 1 3.040 0.006 . 2 . . . A 52 TYR HB2 . 18346 1 581 . 1 1 52 52 TYR HB3 H 1 2.784 0.006 . 2 . . . A 52 TYR HB3 . 18346 1 582 . 1 1 52 52 TYR HD1 H 1 6.953 0.006 . 3 . . . A 52 TYR QD . 18346 1 583 . 1 1 52 52 TYR HD2 H 1 6.953 0.006 . 3 . . . A 52 TYR QD . 18346 1 584 . 1 1 52 52 TYR HE1 H 1 6.657 0.006 . 3 . . . A 52 TYR QE . 18346 1 585 . 1 1 52 52 TYR HE2 H 1 6.657 0.006 . 3 . . . A 52 TYR QE . 18346 1 586 . 1 1 52 52 TYR CA C 13 58.678 0.16 . 1 . . . A 52 TYR CA . 18346 1 587 . 1 1 52 52 TYR CB C 13 41.034 0.16 . 1 . . . A 52 TYR CB . 18346 1 588 . 1 1 52 52 TYR CD2 C 13 133.868 0.16 . 3 . . . A 52 TYR CD2 . 18346 1 589 . 1 1 52 52 TYR CE2 C 13 118.805 0.16 . 3 . . . A 52 TYR CE2 . 18346 1 590 . 1 1 52 52 TYR N N 15 115.879 0.13 . 1 . . . A 52 TYR N . 18346 1 591 . 1 1 53 53 THR H H 1 7.561 0.006 . 1 . . . A 53 THR H . 18346 1 592 . 1 1 53 53 THR HA H 1 4.701 0.006 . 1 . . . A 53 THR HA . 18346 1 593 . 1 1 53 53 THR HB H 1 3.991 0.006 . 1 . . . A 53 THR HB . 18346 1 594 . 1 1 53 53 THR HG21 H 1 0.951 0.006 . 1 . . . A 53 THR QG2 . 18346 1 595 . 1 1 53 53 THR HG22 H 1 0.951 0.006 . 1 . . . A 53 THR QG2 . 18346 1 596 . 1 1 53 53 THR HG23 H 1 0.951 0.006 . 1 . . . A 53 THR QG2 . 18346 1 597 . 1 1 53 53 THR CA C 13 59.819 0.16 . 1 . . . A 53 THR CA . 18346 1 598 . 1 1 53 53 THR CB C 13 70.062 0.16 . 1 . . . A 53 THR CB . 18346 1 599 . 1 1 53 53 THR CG2 C 13 18.734 0.16 . 1 . . . A 53 THR CG2 . 18346 1 600 . 1 1 53 53 THR N N 15 117.451 0.13 . 1 . . . A 53 THR N . 18346 1 601 . 1 1 54 54 LYS H H 1 8.531 0.006 . 1 . . . A 54 LYS H . 18346 1 602 . 1 1 54 54 LYS HA H 1 4.343 0.006 . 1 . . . A 54 LYS HA . 18346 1 603 . 1 1 54 54 LYS HB2 H 1 1.669 0.006 . 2 . . . A 54 LYS HB2 . 18346 1 604 . 1 1 54 54 LYS HB3 H 1 1.824 0.006 . 2 . . . A 54 LYS HB3 . 18346 1 605 . 1 1 54 54 LYS HG2 H 1 1.318 0.006 . 2 . . . A 54 LYS HG2 . 18346 1 606 . 1 1 54 54 LYS HG3 H 1 1.415 0.006 . 2 . . . A 54 LYS HG3 . 18346 1 607 . 1 1 54 54 LYS HD2 H 1 1.640 0.006 . 2 . . . A 54 LYS QD . 18346 1 608 . 1 1 54 54 LYS HD3 H 1 1.640 0.006 . 2 . . . A 54 LYS QD . 18346 1 609 . 1 1 54 54 LYS HE2 H 1 2.934 0.006 . 2 . . . A 54 LYS QE . 18346 1 610 . 1 1 54 54 LYS HE3 H 1 2.934 0.006 . 2 . . . A 54 LYS QE . 18346 1 611 . 1 1 54 54 LYS CA C 13 55.678 0.16 . 1 . . . A 54 LYS CA . 18346 1 612 . 1 1 54 54 LYS CB C 13 34.155 0.16 . 1 . . . A 54 LYS CB . 18346 1 613 . 1 1 54 54 LYS CG C 13 25.080 0.16 . 1 . . . A 54 LYS CG . 18346 1 614 . 1 1 54 54 LYS CD C 13 29.543 0.16 . 1 . . . A 54 LYS CD . 18346 1 615 . 1 1 54 54 LYS CE C 13 42.622 0.16 . 1 . . . A 54 LYS CE . 18346 1 616 . 1 1 54 54 LYS N N 15 124.003 0.13 . 1 . . . A 54 LYS N . 18346 1 617 . 1 1 55 55 LEU H H 1 8.099 0.006 . 1 . . . A 55 LEU H . 18346 1 618 . 1 1 55 55 LEU HA H 1 4.519 0.006 . 1 . . . A 55 LEU HA . 18346 1 619 . 1 1 55 55 LEU HB2 H 1 1.560 0.006 . 2 . . . A 55 LEU HB2 . 18346 1 620 . 1 1 55 55 LEU HB3 H 1 1.349 0.006 . 2 . . . A 55 LEU HB3 . 18346 1 621 . 1 1 55 55 LEU HG H 1 1.319 0.006 . 1 . . . A 55 LEU HG . 18346 1 622 . 1 1 55 55 LEU HD11 H 1 0.863 0.006 . 1 . . . A 55 LEU QQD . 18346 1 623 . 1 1 55 55 LEU HD12 H 1 0.863 0.006 . 1 . . . A 55 LEU QQD . 18346 1 624 . 1 1 55 55 LEU HD13 H 1 0.863 0.006 . 1 . . . A 55 LEU QQD . 18346 1 625 . 1 1 55 55 LEU HD21 H 1 0.863 0.006 . 1 . . . A 55 LEU QQD . 18346 1 626 . 1 1 55 55 LEU HD22 H 1 0.863 0.006 . 1 . . . A 55 LEU QQD . 18346 1 627 . 1 1 55 55 LEU HD23 H 1 0.863 0.006 . 1 . . . A 55 LEU QQD . 18346 1 628 . 1 1 55 55 LEU CA C 13 56.703 0.16 . 1 . . . A 55 LEU CA . 18346 1 629 . 1 1 55 55 LEU CB C 13 45.182 0.16 . 1 . . . A 55 LEU CB . 18346 1 630 . 1 1 55 55 LEU CG C 13 28.223 0.16 . 1 . . . A 55 LEU CG . 18346 1 631 . 1 1 55 55 LEU CD2 C 13 23.483 0.16 . 2 . . . A 55 LEU CD2 . 18346 1 632 . 1 1 55 55 LEU N N 15 121.974 0.13 . 1 . . . A 55 LEU N . 18346 1 633 . 1 1 56 56 THR H H 1 7.980 0.006 . 1 . . . A 56 THR H . 18346 1 634 . 1 1 56 56 THR HA H 1 4.658 0.006 . 1 . . . A 56 THR HA . 18346 1 635 . 1 1 56 56 THR HB H 1 3.721 0.006 . 1 . . . A 56 THR HB . 18346 1 636 . 1 1 56 56 THR HG21 H 1 1.080 0.006 . 1 . . . A 56 THR QG2 . 18346 1 637 . 1 1 56 56 THR HG22 H 1 1.080 0.006 . 1 . . . A 56 THR QG2 . 18346 1 638 . 1 1 56 56 THR HG23 H 1 1.080 0.006 . 1 . . . A 56 THR QG2 . 18346 1 639 . 1 1 56 56 THR CA C 13 62.633 0.16 . 1 . . . A 56 THR CA . 18346 1 640 . 1 1 56 56 THR CB C 13 69.256 0.16 . 1 . . . A 56 THR CB . 18346 1 641 . 1 1 56 56 THR CG2 C 13 22.384 0.16 . 1 . . . A 56 THR CG2 . 18346 1 642 . 1 1 56 56 THR N N 15 122.441 0.13 . 1 . . . A 56 THR N . 18346 1 643 . 1 1 57 57 VAL H H 1 9.314 0.006 . 1 . . . A 57 VAL H . 18346 1 644 . 1 1 57 57 VAL HA H 1 4.137 0.006 . 1 . . . A 57 VAL HA . 18346 1 645 . 1 1 57 57 VAL HB H 1 1.603 0.006 . 1 . . . A 57 VAL HB . 18346 1 646 . 1 1 57 57 VAL HG11 H 1 0.692 0.006 . 2 . . . A 57 VAL QG1 . 18346 1 647 . 1 1 57 57 VAL HG12 H 1 0.692 0.006 . 2 . . . A 57 VAL QG1 . 18346 1 648 . 1 1 57 57 VAL HG13 H 1 0.692 0.006 . 2 . . . A 57 VAL QG1 . 18346 1 649 . 1 1 57 57 VAL HG21 H 1 0.557 0.006 . 2 . . . A 57 VAL QG2 . 18346 1 650 . 1 1 57 57 VAL HG22 H 1 0.557 0.006 . 2 . . . A 57 VAL QG2 . 18346 1 651 . 1 1 57 57 VAL HG23 H 1 0.557 0.006 . 2 . . . A 57 VAL QG2 . 18346 1 652 . 1 1 57 57 VAL CA C 13 61.399 0.16 . 1 . . . A 57 VAL CA . 18346 1 653 . 1 1 57 57 VAL CB C 13 35.290 0.16 . 1 . . . A 57 VAL CB . 18346 1 654 . 1 1 57 57 VAL CG1 C 13 20.686 0.16 . 2 . . . A 57 VAL CG1 . 18346 1 655 . 1 1 57 57 VAL CG2 C 13 21.241 0.16 . 2 . . . A 57 VAL CG2 . 18346 1 656 . 1 1 57 57 VAL N N 15 125.097 0.13 . 1 . . . A 57 VAL N . 18346 1 657 . 1 1 58 58 ILE H H 1 7.076 0.006 . 1 . . . A 58 ILE H . 18346 1 658 . 1 1 58 58 ILE HA H 1 4.146 0.006 . 1 . . . A 58 ILE HA . 18346 1 659 . 1 1 58 58 ILE HB H 1 1.345 0.006 . 1 . . . A 58 ILE HB . 18346 1 660 . 1 1 58 58 ILE HG12 H 1 1.300 0.006 . 1 . . . A 58 ILE QG1 . 18346 1 661 . 1 1 58 58 ILE HG13 H 1 1.300 0.006 . 1 . . . A 58 ILE QG1 . 18346 1 662 . 1 1 58 58 ILE HG21 H 1 0.664 0.006 . 1 . . . A 58 ILE QG2 . 18346 1 663 . 1 1 58 58 ILE HG22 H 1 0.664 0.006 . 1 . . . A 58 ILE QG2 . 18346 1 664 . 1 1 58 58 ILE HG23 H 1 0.664 0.006 . 1 . . . A 58 ILE QG2 . 18346 1 665 . 1 1 58 58 ILE HD11 H 1 0.149 0.006 . 1 . . . A 58 ILE QD1 . 18346 1 666 . 1 1 58 58 ILE HD12 H 1 0.149 0.006 . 1 . . . A 58 ILE QD1 . 18346 1 667 . 1 1 58 58 ILE HD13 H 1 0.149 0.006 . 1 . . . A 58 ILE QD1 . 18346 1 668 . 1 1 58 58 ILE CA C 13 61.340 0.16 . 1 . . . A 58 ILE CA . 18346 1 669 . 1 1 58 58 ILE CB C 13 41.556 0.16 . 1 . . . A 58 ILE CB . 18346 1 670 . 1 1 58 58 ILE CG1 C 13 28.085 0.16 . 1 . . . A 58 ILE CG1 . 18346 1 671 . 1 1 58 58 ILE CG2 C 13 17.334 0.16 . 1 . . . A 58 ILE CG2 . 18346 1 672 . 1 1 58 58 ILE CD1 C 13 13.351 0.16 . 1 . . . A 58 ILE CD1 . 18346 1 673 . 1 1 58 58 ILE N N 15 123.690 0.13 . 1 . . . A 58 ILE N . 18346 1 674 . 1 1 59 59 THR H H 1 8.981 0.006 . 1 . . . A 59 THR H . 18346 1 675 . 1 1 59 59 THR HA H 1 4.302 0.006 . 1 . . . A 59 THR HA . 18346 1 676 . 1 1 59 59 THR HB H 1 3.814 0.006 . 1 . . . A 59 THR HB . 18346 1 677 . 1 1 59 59 THR HG21 H 1 1.103 0.006 . 1 . . . A 59 THR QG2 . 18346 1 678 . 1 1 59 59 THR HG22 H 1 1.103 0.006 . 1 . . . A 59 THR QG2 . 18346 1 679 . 1 1 59 59 THR HG23 H 1 1.103 0.006 . 1 . . . A 59 THR QG2 . 18346 1 680 . 1 1 59 59 THR CA C 13 64.250 0.16 . 1 . . . A 59 THR CA . 18346 1 681 . 1 1 59 59 THR CB C 13 69.107 0.16 . 1 . . . A 59 THR CB . 18346 1 682 . 1 1 59 59 THR CG2 C 13 22.912 0.16 . 1 . . . A 59 THR CG2 . 18346 1 683 . 1 1 59 59 THR N N 15 124.920 0.13 . 1 . . . A 59 THR N . 18346 1 684 . 1 1 60 60 GLY H H 1 8.952 0.006 . 1 . . . A 60 GLY H . 18346 1 685 . 1 1 60 60 GLY HA2 H 1 3.777 0.006 . 2 . . . A 60 GLY HA2 . 18346 1 686 . 1 1 60 60 GLY HA3 H 1 4.739 0.006 . 2 . . . A 60 GLY HA3 . 18346 1 687 . 1 1 60 60 GLY CA C 13 44.153 0.16 . 1 . . . A 60 GLY CA . 18346 1 688 . 1 1 60 60 GLY N N 15 113.283 0.13 . 1 . . . A 60 GLY N . 18346 1 689 . 1 1 61 61 LYS H H 1 8.221 0.006 . 1 . . . A 61 LYS H . 18346 1 690 . 1 1 61 61 LYS HA H 1 3.902 0.006 . 1 . . . A 61 LYS HA . 18346 1 691 . 1 1 61 61 LYS HB2 H 1 1.596 0.006 . 2 . . . A 61 LYS QB . 18346 1 692 . 1 1 61 61 LYS HB3 H 1 1.596 0.006 . 2 . . . A 61 LYS QB . 18346 1 693 . 1 1 61 61 LYS HG2 H 1 1.250 0.006 . 2 . . . A 61 LYS HG2 . 18346 1 694 . 1 1 61 61 LYS HG3 H 1 1.208 0.006 . 2 . . . A 61 LYS HG3 . 18346 1 695 . 1 1 61 61 LYS HD2 H 1 1.597 0.006 . 2 . . . A 61 LYS QD . 18346 1 696 . 1 1 61 61 LYS HD3 H 1 1.597 0.006 . 2 . . . A 61 LYS QD . 18346 1 697 . 1 1 61 61 LYS HE2 H 1 2.939 0.006 . 2 . . . A 61 LYS QE . 18346 1 698 . 1 1 61 61 LYS HE3 H 1 2.939 0.006 . 2 . . . A 61 LYS QE . 18346 1 699 . 1 1 61 61 LYS CA C 13 58.796 0.16 . 1 . . . A 61 LYS CA . 18346 1 700 . 1 1 61 61 LYS CB C 13 33.104 0.16 . 1 . . . A 61 LYS CB . 18346 1 701 . 1 1 61 61 LYS CG C 13 25.765 0.16 . 1 . . . A 61 LYS CG . 18346 1 702 . 1 1 61 61 LYS CD C 13 29.846 0.16 . 1 . . . A 61 LYS CD . 18346 1 703 . 1 1 61 61 LYS CE C 13 42.571 0.16 . 1 . . . A 61 LYS CE . 18346 1 704 . 1 1 61 61 LYS N N 15 119.343 0.13 . 1 . . . A 61 LYS N . 18346 1 705 . 1 1 62 62 ASP H H 1 8.664 0.006 . 1 . . . A 62 ASP H . 18346 1 706 . 1 1 62 62 ASP HA H 1 4.346 0.006 . 1 . . . A 62 ASP HA . 18346 1 707 . 1 1 62 62 ASP HB2 H 1 2.796 0.006 . 2 . . . A 62 ASP QB . 18346 1 708 . 1 1 62 62 ASP HB3 H 1 2.796 0.006 . 2 . . . A 62 ASP QB . 18346 1 709 . 1 1 62 62 ASP CA C 13 55.107 0.16 . 1 . . . A 62 ASP CA . 18346 1 710 . 1 1 62 62 ASP CB C 13 40.311 0.16 . 1 . . . A 62 ASP CB . 18346 1 711 . 1 1 62 62 ASP N N 15 116.584 0.13 . 1 . . . A 62 ASP N . 18346 1 712 . 1 1 63 63 GLY H H 1 8.081 0.006 . 1 . . . A 63 GLY H . 18346 1 713 . 1 1 63 63 GLY HA2 H 1 3.468 0.006 . 2 . . . A 63 GLY HA2 . 18346 1 714 . 1 1 63 63 GLY HA3 H 1 4.048 0.006 . 2 . . . A 63 GLY HA3 . 18346 1 715 . 1 1 63 63 GLY CA C 13 46.108 0.16 . 1 . . . A 63 GLY CA . 18346 1 716 . 1 1 63 63 GLY N N 15 104.314 0.13 . 1 . . . A 63 GLY N . 18346 1 717 . 1 1 64 64 LYS H H 1 7.218 0.006 . 1 . . . A 64 LYS H . 18346 1 718 . 1 1 64 64 LYS HA H 1 4.132 0.006 . 1 . . . A 64 LYS HA . 18346 1 719 . 1 1 64 64 LYS HB2 H 1 1.735 0.006 . 2 . . . A 64 LYS HB2 . 18346 1 720 . 1 1 64 64 LYS HB3 H 1 1.640 0.006 . 2 . . . A 64 LYS HB3 . 18346 1 721 . 1 1 64 64 LYS HG2 H 1 1.388 0.006 . 2 . . . A 64 LYS HG2 . 18346 1 722 . 1 1 64 64 LYS HG3 H 1 1.331 0.006 . 2 . . . A 64 LYS HG3 . 18346 1 723 . 1 1 64 64 LYS HD2 H 1 1.600 0.006 . 2 . . . A 64 LYS QD . 18346 1 724 . 1 1 64 64 LYS HD3 H 1 1.600 0.006 . 2 . . . A 64 LYS QD . 18346 1 725 . 1 1 64 64 LYS HE2 H 1 2.893 0.006 . 2 . . . A 64 LYS QE . 18346 1 726 . 1 1 64 64 LYS HE3 H 1 2.893 0.006 . 2 . . . A 64 LYS QE . 18346 1 727 . 1 1 64 64 LYS CA C 13 56.052 0.16 . 1 . . . A 64 LYS CA . 18346 1 728 . 1 1 64 64 LYS CB C 13 33.457 0.16 . 1 . . . A 64 LYS CB . 18346 1 729 . 1 1 64 64 LYS CG C 13 25.672 0.16 . 1 . . . A 64 LYS CG . 18346 1 730 . 1 1 64 64 LYS CD C 13 29.086 0.16 . 1 . . . A 64 LYS CD . 18346 1 731 . 1 1 64 64 LYS CE C 13 42.629 0.16 . 1 . . . A 64 LYS CE . 18346 1 732 . 1 1 64 64 LYS N N 15 118.980 0.13 . 1 . . . A 64 LYS N . 18346 1 733 . 1 1 65 65 ASN H H 1 8.599 0.006 . 1 . . . A 65 ASN H . 18346 1 734 . 1 1 65 65 ASN HA H 1 4.775 0.006 . 1 . . . A 65 ASN HA . 18346 1 735 . 1 1 65 65 ASN HB2 H 1 3.153 0.006 . 2 . . . A 65 ASN HB2 . 18346 1 736 . 1 1 65 65 ASN HB3 H 1 2.850 0.006 . 2 . . . A 65 ASN HB3 . 18346 1 737 . 1 1 65 65 ASN HD21 H 1 7.114 0.006 . 2 . . . A 65 ASN HD21 . 18346 1 738 . 1 1 65 65 ASN HD22 H 1 8.307 0.006 . 2 . . . A 65 ASN HD22 . 18346 1 739 . 1 1 65 65 ASN CA C 13 51.997 0.16 . 1 . . . A 65 ASN CA . 18346 1 740 . 1 1 65 65 ASN CB C 13 37.931 0.16 . 1 . . . A 65 ASN CB . 18346 1 741 . 1 1 65 65 ASN N N 15 116.561 0.13 . 1 . . . A 65 ASN N . 18346 1 742 . 1 1 65 65 ASN ND2 N 15 112.296 0.13 . 1 . . . A 65 ASN ND2 . 18346 1 743 . 1 1 66 66 LEU H H 1 9.476 0.006 . 1 . . . A 66 LEU H . 18346 1 744 . 1 1 66 66 LEU HA H 1 4.282 0.006 . 1 . . . A 66 LEU HA . 18346 1 745 . 1 1 66 66 LEU HB2 H 1 1.535 0.006 . 2 . . . A 66 LEU HB2 . 18346 1 746 . 1 1 66 66 LEU HB3 H 1 1.414 0.006 . 2 . . . A 66 LEU HB3 . 18346 1 747 . 1 1 66 66 LEU HG H 1 1.890 0.006 . 1 . . . A 66 LEU HG . 18346 1 748 . 1 1 66 66 LEU HD11 H 1 0.700 0.006 . 2 . . . A 66 LEU QD1 . 18346 1 749 . 1 1 66 66 LEU HD12 H 1 0.700 0.006 . 2 . . . A 66 LEU QD1 . 18346 1 750 . 1 1 66 66 LEU HD13 H 1 0.700 0.006 . 2 . . . A 66 LEU QD1 . 18346 1 751 . 1 1 66 66 LEU HD21 H 1 0.968 0.006 . 2 . . . A 66 LEU QD2 . 18346 1 752 . 1 1 66 66 LEU HD22 H 1 0.968 0.006 . 2 . . . A 66 LEU QD2 . 18346 1 753 . 1 1 66 66 LEU HD23 H 1 0.968 0.006 . 2 . . . A 66 LEU QD2 . 18346 1 754 . 1 1 66 66 LEU CA C 13 56.524 0.16 . 1 . . . A 66 LEU CA . 18346 1 755 . 1 1 66 66 LEU CB C 13 44.040 0.16 . 1 . . . A 66 LEU CB . 18346 1 756 . 1 1 66 66 LEU CG C 13 26.791 0.16 . 1 . . . A 66 LEU CG . 18346 1 757 . 1 1 66 66 LEU CD1 C 13 26.989 0.16 . 2 . . . A 66 LEU CD1 . 18346 1 758 . 1 1 66 66 LEU CD2 C 13 22.479 0.16 . 2 . . . A 66 LEU CD2 . 18346 1 759 . 1 1 66 66 LEU N N 15 125.667 0.13 . 1 . . . A 66 LEU N . 18346 1 760 . 1 1 67 67 LEU H H 1 7.632 0.006 . 1 . . . A 67 LEU H . 18346 1 761 . 1 1 67 67 LEU HA H 1 4.409 0.006 . 1 . . . A 67 LEU HA . 18346 1 762 . 1 1 67 67 LEU HB2 H 1 1.694 0.006 . 2 . . . A 67 LEU HB2 . 18346 1 763 . 1 1 67 67 LEU HB3 H 1 1.617 0.006 . 2 . . . A 67 LEU HB3 . 18346 1 764 . 1 1 67 67 LEU HG H 1 1.397 0.006 . 1 . . . A 67 LEU HG . 18346 1 765 . 1 1 67 67 LEU HD11 H 1 0.788 0.006 . 2 . . . A 67 LEU QD1 . 18346 1 766 . 1 1 67 67 LEU HD12 H 1 0.788 0.006 . 2 . . . A 67 LEU QD1 . 18346 1 767 . 1 1 67 67 LEU HD13 H 1 0.788 0.006 . 2 . . . A 67 LEU QD1 . 18346 1 768 . 1 1 67 67 LEU HD21 H 1 0.877 0.006 . 2 . . . A 67 LEU QD2 . 18346 1 769 . 1 1 67 67 LEU HD22 H 1 0.877 0.006 . 2 . . . A 67 LEU QD2 . 18346 1 770 . 1 1 67 67 LEU HD23 H 1 0.877 0.006 . 2 . . . A 67 LEU QD2 . 18346 1 771 . 1 1 67 67 LEU CA C 13 56.196 0.16 . 1 . . . A 67 LEU CA . 18346 1 772 . 1 1 67 67 LEU CB C 13 42.199 0.16 . 1 . . . A 67 LEU CB . 18346 1 773 . 1 1 67 67 LEU CG C 13 27.986 0.16 . 1 . . . A 67 LEU CG . 18346 1 774 . 1 1 67 67 LEU CD1 C 13 26.233 0.16 . 2 . . . A 67 LEU CD1 . 18346 1 775 . 1 1 67 67 LEU CD2 C 13 23.328 0.16 . 2 . . . A 67 LEU CD2 . 18346 1 776 . 1 1 67 67 LEU N N 15 113.902 0.13 . 1 . . . A 67 LEU N . 18346 1 777 . 1 1 68 68 TYR H H 1 7.273 0.006 . 1 . . . A 68 TYR H . 18346 1 778 . 1 1 68 68 TYR HA H 1 4.439 0.006 . 1 . . . A 68 TYR HA . 18346 1 779 . 1 1 68 68 TYR HB2 H 1 3.091 0.006 . 2 . . . A 68 TYR HB2 . 18346 1 780 . 1 1 68 68 TYR HB3 H 1 3.170 0.006 . 2 . . . A 68 TYR HB3 . 18346 1 781 . 1 1 68 68 TYR HD1 H 1 7.119 0.006 . 3 . . . A 68 TYR QD . 18346 1 782 . 1 1 68 68 TYR HD2 H 1 7.119 0.006 . 3 . . . A 68 TYR QD . 18346 1 783 . 1 1 68 68 TYR HE1 H 1 6.836 0.006 . 3 . . . A 68 TYR QE . 18346 1 784 . 1 1 68 68 TYR HE2 H 1 6.836 0.006 . 3 . . . A 68 TYR QE . 18346 1 785 . 1 1 68 68 TYR CA C 13 59.687 0.16 . 1 . . . A 68 TYR CA . 18346 1 786 . 1 1 68 68 TYR CB C 13 39.234 0.16 . 1 . . . A 68 TYR CB . 18346 1 787 . 1 1 68 68 TYR CD2 C 13 133.658 0.16 . 3 . . . A 68 TYR CD2 . 18346 1 788 . 1 1 68 68 TYR CE2 C 13 119.119 0.16 . 3 . . . A 68 TYR CE2 . 18346 1 789 . 1 1 68 68 TYR N N 15 118.205 0.13 . 1 . . . A 68 TYR N . 18346 1 790 . 1 1 69 69 ASN H H 1 7.522 0.006 . 1 . . . A 69 ASN H . 18346 1 791 . 1 1 69 69 ASN HA H 1 4.672 0.006 . 1 . . . A 69 ASN HA . 18346 1 792 . 1 1 69 69 ASN HB2 H 1 2.737 0.006 . 2 . . . A 69 ASN HB2 . 18346 1 793 . 1 1 69 69 ASN HB3 H 1 3.173 0.006 . 2 . . . A 69 ASN HB3 . 18346 1 794 . 1 1 69 69 ASN HD21 H 1 7.483 0.006 . 2 . . . A 69 ASN HD21 . 18346 1 795 . 1 1 69 69 ASN HD22 H 1 6.699 0.006 . 2 . . . A 69 ASN HD22 . 18346 1 796 . 1 1 69 69 ASN CA C 13 52.161 0.16 . 1 . . . A 69 ASN CA . 18346 1 797 . 1 1 69 69 ASN CB C 13 38.723 0.16 . 1 . . . A 69 ASN CB . 18346 1 798 . 1 1 69 69 ASN N N 15 112.856 0.13 . 1 . . . A 69 ASN N . 18346 1 799 . 1 1 69 69 ASN ND2 N 15 108.415 0.13 . 1 . . . A 69 ASN ND2 . 18346 1 800 . 1 1 70 70 GLY H H 1 7.333 0.006 . 1 . . . A 70 GLY H . 18346 1 801 . 1 1 70 70 GLY HA2 H 1 3.861 0.006 . 2 . . . A 70 GLY HA2 . 18346 1 802 . 1 1 70 70 GLY HA3 H 1 4.089 0.006 . 2 . . . A 70 GLY HA3 . 18346 1 803 . 1 1 70 70 GLY CA C 13 46.230 0.16 . 1 . . . A 70 GLY CA . 18346 1 804 . 1 1 70 70 GLY N N 15 104.336 0.13 . 1 . . . A 70 GLY N . 18346 1 805 . 1 1 71 71 THR H H 1 7.985 0.006 . 1 . . . A 71 THR H . 18346 1 806 . 1 1 71 71 THR HA H 1 3.955 0.006 . 1 . . . A 71 THR HA . 18346 1 807 . 1 1 71 71 THR HB H 1 4.211 0.006 . 1 . . . A 71 THR HB . 18346 1 808 . 1 1 71 71 THR HG21 H 1 1.180 0.006 . 1 . . . A 71 THR QG2 . 18346 1 809 . 1 1 71 71 THR HG22 H 1 1.180 0.006 . 1 . . . A 71 THR QG2 . 18346 1 810 . 1 1 71 71 THR HG23 H 1 1.180 0.006 . 1 . . . A 71 THR QG2 . 18346 1 811 . 1 1 71 71 THR CA C 13 66.395 0.16 . 1 . . . A 71 THR CA . 18346 1 812 . 1 1 71 71 THR CB C 13 68.565 0.16 . 1 . . . A 71 THR CB . 18346 1 813 . 1 1 71 71 THR CG2 C 13 22.689 0.16 . 1 . . . A 71 THR CG2 . 18346 1 814 . 1 1 71 71 THR N N 15 115.586 0.13 . 1 . . . A 71 THR N . 18346 1 815 . 1 1 72 72 ALA H H 1 7.621 0.006 . 1 . . . A 72 ALA H . 18346 1 816 . 1 1 72 72 ALA HA H 1 5.192 0.006 . 1 . . . A 72 ALA HA . 18346 1 817 . 1 1 72 72 ALA HB1 H 1 1.105 0.006 . 1 . . . A 72 ALA QB . 18346 1 818 . 1 1 72 72 ALA HB2 H 1 1.105 0.006 . 1 . . . A 72 ALA QB . 18346 1 819 . 1 1 72 72 ALA HB3 H 1 1.105 0.006 . 1 . . . A 72 ALA QB . 18346 1 820 . 1 1 72 72 ALA CA C 13 49.762 0.16 . 1 . . . A 72 ALA CA . 18346 1 821 . 1 1 72 72 ALA CB C 13 23.334 0.16 . 1 . . . A 72 ALA CB . 18346 1 822 . 1 1 72 72 ALA N N 15 117.985 0.13 . 1 . . . A 72 ALA N . 18346 1 823 . 1 1 73 73 LYS H H 1 8.527 0.006 . 1 . . . A 73 LYS H . 18346 1 824 . 1 1 73 73 LYS HA H 1 4.664 0.006 . 1 . . . A 73 LYS HA . 18346 1 825 . 1 1 73 73 LYS HB2 H 1 1.714 0.006 . 2 . . . A 73 LYS HB2 . 18346 1 826 . 1 1 73 73 LYS HB3 H 1 1.841 0.006 . 2 . . . A 73 LYS HB3 . 18346 1 827 . 1 1 73 73 LYS HG2 H 1 1.314 0.006 . 2 . . . A 73 LYS QG . 18346 1 828 . 1 1 73 73 LYS HG3 H 1 1.314 0.006 . 2 . . . A 73 LYS QG . 18346 1 829 . 1 1 73 73 LYS HD3 H 1 1.598 0.006 . 2 . . . A 73 LYS HD3 . 18346 1 830 . 1 1 73 73 LYS HE2 H 1 2.849 0.006 . 2 . . . A 73 LYS QE . 18346 1 831 . 1 1 73 73 LYS HE3 H 1 2.849 0.006 . 2 . . . A 73 LYS QE . 18346 1 832 . 1 1 73 73 LYS CA C 13 55.293 0.16 . 1 . . . A 73 LYS CA . 18346 1 833 . 1 1 73 73 LYS CB C 13 36.902 0.16 . 1 . . . A 73 LYS CB . 18346 1 834 . 1 1 73 73 LYS CG C 13 25.118 0.16 . 1 . . . A 73 LYS CG . 18346 1 835 . 1 1 73 73 LYS CD C 13 29.566 0.16 . 1 . . . A 73 LYS CD . 18346 1 836 . 1 1 73 73 LYS CE C 13 41.720 0.16 . 1 . . . A 73 LYS CE . 18346 1 837 . 1 1 73 73 LYS N N 15 115.606 0.13 . 1 . . . A 73 LYS N . 18346 1 838 . 1 1 74 74 MET H H 1 8.980 0.006 . 1 . . . A 74 MET H . 18346 1 839 . 1 1 74 74 MET HA H 1 4.803 0.006 . 1 . . . A 74 MET HA . 18346 1 840 . 1 1 74 74 MET HB2 H 1 2.234 0.006 . 2 . . . A 74 MET HB2 . 18346 1 841 . 1 1 74 74 MET HB3 H 1 1.542 0.006 . 2 . . . A 74 MET HB3 . 18346 1 842 . 1 1 74 74 MET HG2 H 1 1.764 0.006 . 2 . . . A 74 MET HG2 . 18346 1 843 . 1 1 74 74 MET HG3 H 1 1.367 0.006 . 2 . . . A 74 MET HG3 . 18346 1 844 . 1 1 74 74 MET HE1 H 1 1.681 0.006 . 1 . . . A 74 MET QE . 18346 1 845 . 1 1 74 74 MET HE2 H 1 1.681 0.006 . 1 . . . A 74 MET QE . 18346 1 846 . 1 1 74 74 MET HE3 H 1 1.681 0.006 . 1 . . . A 74 MET QE . 18346 1 847 . 1 1 74 74 MET CA C 13 55.137 0.16 . 1 . . . A 74 MET CA . 18346 1 848 . 1 1 74 74 MET CB C 13 32.012 0.16 . 1 . . . A 74 MET CB . 18346 1 849 . 1 1 74 74 MET CG C 13 32.291 0.16 . 1 . . . A 74 MET CG . 18346 1 850 . 1 1 74 74 MET CE C 13 16.471 0.16 . 1 . . . A 74 MET CE . 18346 1 851 . 1 1 74 74 MET N N 15 125.163 0.13 . 1 . . . A 74 MET N . 18346 1 852 . 1 1 75 75 PHE H H 1 8.042 0.006 . 1 . . . A 75 PHE H . 18346 1 853 . 1 1 75 75 PHE HA H 1 4.858 0.006 . 1 . . . A 75 PHE HA . 18346 1 854 . 1 1 75 75 PHE HB2 H 1 3.407 0.006 . 2 . . . A 75 PHE HB2 . 18346 1 855 . 1 1 75 75 PHE HB3 H 1 2.601 0.006 . 2 . . . A 75 PHE HB3 . 18346 1 856 . 1 1 75 75 PHE HD1 H 1 7.099 0.006 . 3 . . . A 75 PHE QD . 18346 1 857 . 1 1 75 75 PHE HD2 H 1 7.099 0.006 . 3 . . . A 75 PHE QD . 18346 1 858 . 1 1 75 75 PHE HE1 H 1 7.311 0.006 . 3 . . . A 75 PHE QE . 18346 1 859 . 1 1 75 75 PHE HE2 H 1 7.311 0.006 . 3 . . . A 75 PHE QE . 18346 1 860 . 1 1 75 75 PHE HZ H 1 7.391 0.006 . 1 . . . A 75 PHE HZ . 18346 1 861 . 1 1 75 75 PHE CA C 13 56.473 0.16 . 1 . . . A 75 PHE CA . 18346 1 862 . 1 1 75 75 PHE CB C 13 41.018 0.16 . 1 . . . A 75 PHE CB . 18346 1 863 . 1 1 75 75 PHE CD1 C 13 133.748 0.16 . 3 . . . A 75 PHE CD1 . 18346 1 864 . 1 1 75 75 PHE CE1 C 13 132.252 0.16 . 3 . . . A 75 PHE CE1 . 18346 1 865 . 1 1 75 75 PHE CZ C 13 130.784 0.16 . 1 . . . A 75 PHE CZ . 18346 1 866 . 1 1 75 75 PHE N N 15 120.436 0.13 . 1 . . . A 75 PHE N . 18346 1 867 . 1 1 76 76 LYS H H 1 6.939 0.006 . 1 . . . A 76 LYS H . 18346 1 868 . 1 1 76 76 LYS HA H 1 4.217 0.006 . 1 . . . A 76 LYS HA . 18346 1 869 . 1 1 76 76 LYS HB2 H 1 1.445 0.006 . 2 . . . A 76 LYS HB2 . 18346 1 870 . 1 1 76 76 LYS HB3 H 1 0.742 0.006 . 2 . . . A 76 LYS HB3 . 18346 1 871 . 1 1 76 76 LYS HG2 H 1 0.673 0.006 . 2 . . . A 76 LYS HG2 . 18346 1 872 . 1 1 76 76 LYS HG3 H 1 1.053 0.006 . 2 . . . A 76 LYS HG3 . 18346 1 873 . 1 1 76 76 LYS HD2 H 1 1.119 0.006 . 2 . . . A 76 LYS HD2 . 18346 1 874 . 1 1 76 76 LYS HD3 H 1 0.526 0.006 . 2 . . . A 76 LYS HD3 . 18346 1 875 . 1 1 76 76 LYS HE2 H 1 2.488 0.006 . 2 . . . A 76 LYS HE2 . 18346 1 876 . 1 1 76 76 LYS HE3 H 1 2.397 0.006 . 2 . . . A 76 LYS HE3 . 18346 1 877 . 1 1 76 76 LYS CA C 13 56.856 0.16 . 1 . . . A 76 LYS CA . 18346 1 878 . 1 1 76 76 LYS CB C 13 35.568 0.16 . 1 . . . A 76 LYS CB . 18346 1 879 . 1 1 76 76 LYS CG C 13 24.782 0.16 . 1 . . . A 76 LYS CG . 18346 1 880 . 1 1 76 76 LYS CD C 13 29.361 0.16 . 1 . . . A 76 LYS CD . 18346 1 881 . 1 1 76 76 LYS CE C 13 41.855 0.16 . 1 . . . A 76 LYS CE . 18346 1 882 . 1 1 76 76 LYS N N 15 121.509 0.13 . 1 . . . A 76 LYS N . 18346 1 883 . 1 1 77 77 SER H H 1 8.213 0.006 . 1 . . . A 77 SER H . 18346 1 884 . 1 1 77 77 SER HA H 1 5.264 0.006 . 1 . . . A 77 SER HA . 18346 1 885 . 1 1 77 77 SER HB2 H 1 3.648 0.006 . 2 . . . A 77 SER HB2 . 18346 1 886 . 1 1 77 77 SER HB3 H 1 3.546 0.006 . 2 . . . A 77 SER HB3 . 18346 1 887 . 1 1 77 77 SER CA C 13 56.777 0.16 . 1 . . . A 77 SER CA . 18346 1 888 . 1 1 77 77 SER CB C 13 65.133 0.16 . 1 . . . A 77 SER CB . 18346 1 889 . 1 1 77 77 SER N N 15 116.975 0.13 . 1 . . . A 77 SER N . 18346 1 890 . 1 1 78 78 ASP H H 1 9.438 0.006 . 1 . . . A 78 ASP H . 18346 1 891 . 1 1 78 78 ASP HA H 1 5.153 0.006 . 1 . . . A 78 ASP HA . 18346 1 892 . 1 1 78 78 ASP HB2 H 1 2.712 0.006 . 2 . . . A 78 ASP HB2 . 18346 1 893 . 1 1 78 78 ASP HB3 H 1 2.613 0.006 . 2 . . . A 78 ASP HB3 . 18346 1 894 . 1 1 78 78 ASP CA C 13 53.149 0.16 . 1 . . . A 78 ASP CA . 18346 1 895 . 1 1 78 78 ASP CB C 13 44.246 0.16 . 1 . . . A 78 ASP CB . 18346 1 896 . 1 1 78 78 ASP N N 15 124.581 0.13 . 1 . . . A 78 ASP N . 18346 1 897 . 1 1 79 79 ALA H H 1 8.612 0.006 . 1 . . . A 79 ALA H . 18346 1 898 . 1 1 79 79 ALA HA H 1 3.756 0.006 . 1 . . . A 79 ALA HA . 18346 1 899 . 1 1 79 79 ALA HB1 H 1 1.010 0.006 . 1 . . . A 79 ALA QB . 18346 1 900 . 1 1 79 79 ALA HB2 H 1 1.010 0.006 . 1 . . . A 79 ALA QB . 18346 1 901 . 1 1 79 79 ALA HB3 H 1 1.010 0.006 . 1 . . . A 79 ALA QB . 18346 1 902 . 1 1 79 79 ALA CA C 13 52.943 0.16 . 1 . . . A 79 ALA CA . 18346 1 903 . 1 1 79 79 ALA CB C 13 19.678 0.16 . 1 . . . A 79 ALA CB . 18346 1 904 . 1 1 79 79 ALA N N 15 125.561 0.13 . 1 . . . A 79 ALA N . 18346 1 905 . 1 1 80 80 ILE H H 1 8.170 0.006 . 1 . . . A 80 ILE H . 18346 1 906 . 1 1 80 80 ILE HA H 1 3.892 0.006 . 1 . . . A 80 ILE HA . 18346 1 907 . 1 1 80 80 ILE HB H 1 1.021 0.006 . 1 . . . A 80 ILE HB . 18346 1 908 . 1 1 80 80 ILE HG12 H 1 1.117 0.006 . 2 . . . A 80 ILE HG12 . 18346 1 909 . 1 1 80 80 ILE HG13 H 1 0.787 0.006 . 2 . . . A 80 ILE HG13 . 18346 1 910 . 1 1 80 80 ILE HG21 H 1 0.536 0.006 . 1 . . . A 80 ILE QG2 . 18346 1 911 . 1 1 80 80 ILE HG22 H 1 0.536 0.006 . 1 . . . A 80 ILE QG2 . 18346 1 912 . 1 1 80 80 ILE HG23 H 1 0.536 0.006 . 1 . . . A 80 ILE QG2 . 18346 1 913 . 1 1 80 80 ILE HD11 H 1 0.509 0.006 . 1 . . . A 80 ILE QD1 . 18346 1 914 . 1 1 80 80 ILE HD12 H 1 0.509 0.006 . 1 . . . A 80 ILE QD1 . 18346 1 915 . 1 1 80 80 ILE HD13 H 1 0.509 0.006 . 1 . . . A 80 ILE QD1 . 18346 1 916 . 1 1 80 80 ILE CA C 13 60.473 0.16 . 1 . . . A 80 ILE CA . 18346 1 917 . 1 1 80 80 ILE CB C 13 38.791 0.16 . 1 . . . A 80 ILE CB . 18346 1 918 . 1 1 80 80 ILE CG1 C 13 27.366 0.16 . 1 . . . A 80 ILE CG1 . 18346 1 919 . 1 1 80 80 ILE CG2 C 13 17.488 0.16 . 1 . . . A 80 ILE CG2 . 18346 1 920 . 1 1 80 80 ILE CD1 C 13 13.665 0.16 . 1 . . . A 80 ILE CD1 . 18346 1 921 . 1 1 80 80 ILE N N 15 122.366 0.13 . 1 . . . A 80 ILE N . 18346 1 922 . 1 1 81 81 LEU H H 1 8.322 0.006 . 1 . . . A 81 LEU H . 18346 1 923 . 1 1 81 81 LEU HA H 1 4.740 0.006 . 1 . . . A 81 LEU HA . 18346 1 924 . 1 1 81 81 LEU HB2 H 1 1.603 0.006 . 2 . . . A 81 LEU HB2 . 18346 1 925 . 1 1 81 81 LEU HB3 H 1 1.158 0.006 . 2 . . . A 81 LEU HB3 . 18346 1 926 . 1 1 81 81 LEU HG H 1 1.429 0.006 . 1 . . . A 81 LEU HG . 18346 1 927 . 1 1 81 81 LEU HD11 H 1 0.693 0.006 . 2 . . . A 81 LEU QD1 . 18346 1 928 . 1 1 81 81 LEU HD12 H 1 0.693 0.006 . 2 . . . A 81 LEU QD1 . 18346 1 929 . 1 1 81 81 LEU HD13 H 1 0.693 0.006 . 2 . . . A 81 LEU QD1 . 18346 1 930 . 1 1 81 81 LEU HD21 H 1 0.499 0.006 . 2 . . . A 81 LEU QD2 . 18346 1 931 . 1 1 81 81 LEU HD22 H 1 0.499 0.006 . 2 . . . A 81 LEU QD2 . 18346 1 932 . 1 1 81 81 LEU HD23 H 1 0.499 0.006 . 2 . . . A 81 LEU QD2 . 18346 1 933 . 1 1 81 81 LEU CA C 13 53.904 0.16 . 1 . . . A 81 LEU CA . 18346 1 934 . 1 1 81 81 LEU CB C 13 43.881 0.16 . 1 . . . A 81 LEU CB . 18346 1 935 . 1 1 81 81 LEU CG C 13 27.687 0.16 . 1 . . . A 81 LEU CG . 18346 1 936 . 1 1 81 81 LEU CD1 C 13 25.510 0.16 . 2 . . . A 81 LEU CD1 . 18346 1 937 . 1 1 81 81 LEU CD2 C 13 24.115 0.16 . 2 . . . A 81 LEU CD2 . 18346 1 938 . 1 1 81 81 LEU N N 15 125.532 0.13 . 1 . . . A 81 LEU N . 18346 1 939 . 1 1 82 82 GLY H H 1 8.841 0.006 . 1 . . . A 82 GLY H . 18346 1 940 . 1 1 82 82 GLY HA2 H 1 4.372 0.006 . 2 . . . A 82 GLY HA2 . 18346 1 941 . 1 1 82 82 GLY HA3 H 1 3.561 0.006 . 2 . . . A 82 GLY HA3 . 18346 1 942 . 1 1 82 82 GLY CA C 13 43.830 0.16 . 1 . . . A 82 GLY CA . 18346 1 943 . 1 1 82 82 GLY N N 15 108.372 0.13 . 1 . . . A 82 GLY N . 18346 1 944 . 1 1 83 83 GLN H H 1 8.607 0.006 . 1 . . . A 83 GLN H . 18346 1 945 . 1 1 83 83 GLN HA H 1 4.010 0.006 . 1 . . . A 83 GLN HA . 18346 1 946 . 1 1 83 83 GLN HB2 H 1 1.936 0.006 . 2 . . . A 83 GLN QB . 18346 1 947 . 1 1 83 83 GLN HB3 H 1 1.936 0.006 . 2 . . . A 83 GLN QB . 18346 1 948 . 1 1 83 83 GLN HG2 H 1 2.327 0.006 . 2 . . . A 83 GLN QG . 18346 1 949 . 1 1 83 83 GLN HG3 H 1 2.327 0.006 . 2 . . . A 83 GLN QG . 18346 1 950 . 1 1 83 83 GLN HE21 H 1 6.723 0.006 . 2 . . . A 83 GLN HE21 . 18346 1 951 . 1 1 83 83 GLN HE22 H 1 7.374 0.006 . 2 . . . A 83 GLN HE22 . 18346 1 952 . 1 1 83 83 GLN CA C 13 57.694 0.16 . 1 . . . A 83 GLN CA . 18346 1 953 . 1 1 83 83 GLN CB C 13 28.845 0.16 . 1 . . . A 83 GLN CB . 18346 1 954 . 1 1 83 83 GLN CG C 13 34.157 0.16 . 1 . . . A 83 GLN CG . 18346 1 955 . 1 1 83 83 GLN N N 15 120.869 0.13 . 1 . . . A 83 GLN N . 18346 1 956 . 1 1 83 83 GLN NE2 N 15 110.553 0.13 . 1 . . . A 83 GLN NE2 . 18346 1 957 . 1 1 84 84 ASN H H 1 8.693 0.006 . 1 . . . A 84 ASN H . 18346 1 958 . 1 1 84 84 ASN HA H 1 4.389 0.006 . 1 . . . A 84 ASN HA . 18346 1 959 . 1 1 84 84 ASN HB2 H 1 2.864 0.006 . 2 . . . A 84 ASN QB . 18346 1 960 . 1 1 84 84 ASN HB3 H 1 2.864 0.006 . 2 . . . A 84 ASN QB . 18346 1 961 . 1 1 84 84 ASN HD21 H 1 6.758 0.006 . 2 . . . A 84 ASN HD21 . 18346 1 962 . 1 1 84 84 ASN HD22 H 1 7.427 0.006 . 2 . . . A 84 ASN HD22 . 18346 1 963 . 1 1 84 84 ASN CA C 13 54.010 0.16 . 1 . . . A 84 ASN CA . 18346 1 964 . 1 1 84 84 ASN CB C 13 37.554 0.16 . 1 . . . A 84 ASN CB . 18346 1 965 . 1 1 84 84 ASN N N 15 115.867 0.13 . 1 . . . A 84 ASN N . 18346 1 966 . 1 1 84 84 ASN ND2 N 15 110.988 0.13 . 1 . . . A 84 ASN ND2 . 18346 1 967 . 1 1 85 85 LYS H H 1 8.056 0.006 . 1 . . . A 85 LYS H . 18346 1 968 . 1 1 85 85 LYS HA H 1 3.503 0.006 . 1 . . . A 85 LYS HA . 18346 1 969 . 1 1 85 85 LYS HB2 H 1 1.900 0.006 . 2 . . . A 85 LYS HB2 . 18346 1 970 . 1 1 85 85 LYS HB3 H 1 2.007 0.006 . 2 . . . A 85 LYS HB3 . 18346 1 971 . 1 1 85 85 LYS HG2 H 1 1.315 0.006 . 2 . . . A 85 LYS HG2 . 18346 1 972 . 1 1 85 85 LYS HG3 H 1 1.220 0.006 . 2 . . . A 85 LYS HG3 . 18346 1 973 . 1 1 85 85 LYS HD2 H 1 1.591 0.006 . 2 . . . A 85 LYS QD . 18346 1 974 . 1 1 85 85 LYS HD3 H 1 1.591 0.006 . 2 . . . A 85 LYS QD . 18346 1 975 . 1 1 85 85 LYS HE2 H 1 2.926 0.006 . 2 . . . A 85 LYS QE . 18346 1 976 . 1 1 85 85 LYS HE3 H 1 2.926 0.006 . 2 . . . A 85 LYS QE . 18346 1 977 . 1 1 85 85 LYS CA C 13 58.260 0.16 . 1 . . . A 85 LYS CA . 18346 1 978 . 1 1 85 85 LYS CB C 13 29.406 0.16 . 1 . . . A 85 LYS CB . 18346 1 979 . 1 1 85 85 LYS CG C 13 25.762 0.16 . 1 . . . A 85 LYS CG . 18346 1 980 . 1 1 85 85 LYS CD C 13 29.571 0.16 . 1 . . . A 85 LYS CD . 18346 1 981 . 1 1 85 85 LYS CE C 13 42.560 0.16 . 1 . . . A 85 LYS CE . 18346 1 982 . 1 1 85 85 LYS N N 15 108.635 0.13 . 1 . . . A 85 LYS N . 18346 1 983 . 1 1 86 86 VAL H H 1 6.867 0.006 . 1 . . . A 86 VAL H . 18346 1 984 . 1 1 86 86 VAL HA H 1 3.961 0.006 . 1 . . . A 86 VAL HA . 18346 1 985 . 1 1 86 86 VAL HB H 1 1.856 0.006 . 1 . . . A 86 VAL HB . 18346 1 986 . 1 1 86 86 VAL HG11 H 1 0.807 0.006 . 2 . . . A 86 VAL QG1 . 18346 1 987 . 1 1 86 86 VAL HG12 H 1 0.807 0.006 . 2 . . . A 86 VAL QG1 . 18346 1 988 . 1 1 86 86 VAL HG13 H 1 0.807 0.006 . 2 . . . A 86 VAL QG1 . 18346 1 989 . 1 1 86 86 VAL HG21 H 1 0.827 0.006 . 2 . . . A 86 VAL QG2 . 18346 1 990 . 1 1 86 86 VAL HG22 H 1 0.827 0.006 . 2 . . . A 86 VAL QG2 . 18346 1 991 . 1 1 86 86 VAL HG23 H 1 0.827 0.006 . 2 . . . A 86 VAL QG2 . 18346 1 992 . 1 1 86 86 VAL CA C 13 61.851 0.16 . 1 . . . A 86 VAL CA . 18346 1 993 . 1 1 86 86 VAL CB C 13 33.329 0.16 . 1 . . . A 86 VAL CB . 18346 1 994 . 1 1 86 86 VAL CG1 C 13 21.508 0.16 . 2 . . . A 86 VAL CG1 . 18346 1 995 . 1 1 86 86 VAL CG2 C 13 21.607 0.16 . 2 . . . A 86 VAL CG2 . 18346 1 996 . 1 1 86 86 VAL N N 15 116.401 0.13 . 1 . . . A 86 VAL N . 18346 1 997 . 1 1 87 87 VAL H H 1 8.340 0.006 . 1 . . . A 87 VAL H . 18346 1 998 . 1 1 87 87 VAL HA H 1 3.881 0.006 . 1 . . . A 87 VAL HA . 18346 1 999 . 1 1 87 87 VAL HB H 1 1.837 0.006 . 1 . . . A 87 VAL HB . 18346 1 1000 . 1 1 87 87 VAL HG11 H 1 0.346 0.006 . 2 . . . A 87 VAL QG1 . 18346 1 1001 . 1 1 87 87 VAL HG12 H 1 0.346 0.006 . 2 . . . A 87 VAL QG1 . 18346 1 1002 . 1 1 87 87 VAL HG13 H 1 0.346 0.006 . 2 . . . A 87 VAL QG1 . 18346 1 1003 . 1 1 87 87 VAL HG21 H 1 0.747 0.006 . 2 . . . A 87 VAL QG2 . 18346 1 1004 . 1 1 87 87 VAL HG22 H 1 0.747 0.006 . 2 . . . A 87 VAL QG2 . 18346 1 1005 . 1 1 87 87 VAL HG23 H 1 0.747 0.006 . 2 . . . A 87 VAL QG2 . 18346 1 1006 . 1 1 87 87 VAL CA C 13 64.044 0.16 . 1 . . . A 87 VAL CA . 18346 1 1007 . 1 1 87 87 VAL CB C 13 31.751 0.16 . 1 . . . A 87 VAL CB . 18346 1 1008 . 1 1 87 87 VAL CG1 C 13 21.812 0.16 . 2 . . . A 87 VAL CG1 . 18346 1 1009 . 1 1 87 87 VAL CG2 C 13 22.091 0.16 . 2 . . . A 87 VAL CG2 . 18346 1 1010 . 1 1 87 87 VAL N N 15 125.522 0.13 . 1 . . . A 87 VAL N . 18346 1 1011 . 1 1 88 88 ILE H H 1 8.441 0.006 . 1 . . . A 88 ILE H . 18346 1 1012 . 1 1 88 88 ILE HA H 1 4.417 0.006 . 1 . . . A 88 ILE HA . 18346 1 1013 . 1 1 88 88 ILE HB H 1 1.940 0.006 . 1 . . . A 88 ILE HB . 18346 1 1014 . 1 1 88 88 ILE HG12 H 1 0.835 0.006 . 2 . . . A 88 ILE HG12 . 18346 1 1015 . 1 1 88 88 ILE HG13 H 1 0.725 0.006 . 2 . . . A 88 ILE HG13 . 18346 1 1016 . 1 1 88 88 ILE HG21 H 1 0.776 0.006 . 1 . . . A 88 ILE QG2 . 18346 1 1017 . 1 1 88 88 ILE HG22 H 1 0.776 0.006 . 1 . . . A 88 ILE QG2 . 18346 1 1018 . 1 1 88 88 ILE HG23 H 1 0.776 0.006 . 1 . . . A 88 ILE QG2 . 18346 1 1019 . 1 1 88 88 ILE HD11 H 1 0.609 0.006 . 1 . . . A 88 ILE QD1 . 18346 1 1020 . 1 1 88 88 ILE HD12 H 1 0.609 0.006 . 1 . . . A 88 ILE QD1 . 18346 1 1021 . 1 1 88 88 ILE HD13 H 1 0.609 0.006 . 1 . . . A 88 ILE QD1 . 18346 1 1022 . 1 1 88 88 ILE CA C 13 61.068 0.16 . 1 . . . A 88 ILE CA . 18346 1 1023 . 1 1 88 88 ILE CB C 13 39.827 0.16 . 1 . . . A 88 ILE CB . 18346 1 1024 . 1 1 88 88 ILE CG1 C 13 26.000 0.16 . 1 . . . A 88 ILE CG1 . 18346 1 1025 . 1 1 88 88 ILE CG2 C 13 18.115 0.16 . 1 . . . A 88 ILE CG2 . 18346 1 1026 . 1 1 88 88 ILE CD1 C 13 14.300 0.16 . 1 . . . A 88 ILE CD1 . 18346 1 1027 . 1 1 88 88 ILE N N 15 120.175 0.13 . 1 . . . A 88 ILE N . 18346 1 1028 . 1 1 89 89 GLY H H 1 7.237 0.006 . 1 . . . A 89 GLY H . 18346 1 1029 . 1 1 89 89 GLY HA2 H 1 3.894 0.006 . 2 . . . A 89 GLY HA2 . 18346 1 1030 . 1 1 89 89 GLY HA3 H 1 4.417 0.006 . 2 . . . A 89 GLY HA3 . 18346 1 1031 . 1 1 89 89 GLY CA C 13 46.084 0.16 . 1 . . . A 89 GLY CA . 18346 1 1032 . 1 1 89 89 GLY N N 15 108.028 0.13 . 1 . . . A 89 GLY N . 18346 1 1033 . 1 1 90 90 TRP H H 1 9.234 0.006 . 1 . . . A 90 TRP H . 18346 1 1034 . 1 1 90 90 TRP HA H 1 5.214 0.006 . 1 . . . A 90 TRP HA . 18346 1 1035 . 1 1 90 90 TRP HB2 H 1 2.883 0.006 . 2 . . . A 90 TRP HB2 . 18346 1 1036 . 1 1 90 90 TRP HB3 H 1 2.520 0.006 . 2 . . . A 90 TRP HB3 . 18346 1 1037 . 1 1 90 90 TRP HD1 H 1 6.903 0.006 . 1 . . . A 90 TRP HD1 . 18346 1 1038 . 1 1 90 90 TRP HE1 H 1 10.069 0.006 . 1 . . . A 90 TRP HE1 . 18346 1 1039 . 1 1 90 90 TRP HE3 H 1 7.272 0.006 . 1 . . . A 90 TRP HE3 . 18346 1 1040 . 1 1 90 90 TRP HZ2 H 1 7.350 0.006 . 1 . . . A 90 TRP HZ2 . 18346 1 1041 . 1 1 90 90 TRP HZ3 H 1 6.849 0.006 . 1 . . . A 90 TRP HZ3 . 18346 1 1042 . 1 1 90 90 TRP HH2 H 1 6.902 0.006 . 1 . . . A 90 TRP HH2 . 18346 1 1043 . 1 1 90 90 TRP CA C 13 57.922 0.16 . 1 . . . A 90 TRP CA . 18346 1 1044 . 1 1 90 90 TRP CB C 13 35.848 0.16 . 1 . . . A 90 TRP CB . 18346 1 1045 . 1 1 90 90 TRP CD1 C 13 127.317 0.16 . 1 . . . A 90 TRP CD1 . 18346 1 1046 . 1 1 90 90 TRP CE3 C 13 120.755 0.16 . 1 . . . A 90 TRP CE3 . 18346 1 1047 . 1 1 90 90 TRP CZ2 C 13 115.722 0.16 . 1 . . . A 90 TRP CZ2 . 18346 1 1048 . 1 1 90 90 TRP CZ3 C 13 122.421 0.16 . 1 . . . A 90 TRP CZ3 . 18346 1 1049 . 1 1 90 90 TRP CH2 C 13 124.658 0.16 . 1 . . . A 90 TRP CH2 . 18346 1 1050 . 1 1 90 90 TRP N N 15 115.373 0.13 . 1 . . . A 90 TRP N . 18346 1 1051 . 1 1 90 90 TRP NE1 N 15 128.514 0.13 . 1 . . . A 90 TRP NE1 . 18346 1 1052 . 1 1 91 91 ASP H H 1 9.127 0.006 . 1 . . . A 91 ASP H . 18346 1 1053 . 1 1 91 91 ASP HA H 1 5.721 0.006 . 1 . . . A 91 ASP HA . 18346 1 1054 . 1 1 91 91 ASP HB2 H 1 2.576 0.006 . 2 . . . A 91 ASP HB2 . 18346 1 1055 . 1 1 91 91 ASP HB3 H 1 1.983 0.006 . 2 . . . A 91 ASP HB3 . 18346 1 1056 . 1 1 91 91 ASP CA C 13 54.299 0.16 . 1 . . . A 91 ASP CA . 18346 1 1057 . 1 1 91 91 ASP CB C 13 42.900 0.16 . 1 . . . A 91 ASP CB . 18346 1 1058 . 1 1 91 91 ASP N N 15 121.465 0.13 . 1 . . . A 91 ASP N . 18346 1 1059 . 1 1 92 92 LYS H H 1 9.374 0.006 . 1 . . . A 92 LYS H . 18346 1 1060 . 1 1 92 92 LYS HA H 1 4.849 0.006 . 1 . . . A 92 LYS HA . 18346 1 1061 . 1 1 92 92 LYS HB2 H 1 1.566 0.006 . 2 . . . A 92 LYS HB2 . 18346 1 1062 . 1 1 92 92 LYS HB3 H 1 1.122 0.006 . 2 . . . A 92 LYS HB3 . 18346 1 1063 . 1 1 92 92 LYS HG2 H 1 1.014 0.006 . 2 . . . A 92 LYS QG . 18346 1 1064 . 1 1 92 92 LYS HG3 H 1 1.014 0.006 . 2 . . . A 92 LYS QG . 18346 1 1065 . 1 1 92 92 LYS HD2 H 1 1.010 0.006 . 2 . . . A 92 LYS QD . 18346 1 1066 . 1 1 92 92 LYS HD3 H 1 1.010 0.006 . 2 . . . A 92 LYS QD . 18346 1 1067 . 1 1 92 92 LYS HE2 H 1 2.892 0.006 . 2 . . . A 92 LYS QE . 18346 1 1068 . 1 1 92 92 LYS HE3 H 1 2.892 0.006 . 2 . . . A 92 LYS QE . 18346 1 1069 . 1 1 92 92 LYS CA C 13 55.367 0.16 . 1 . . . A 92 LYS CA . 18346 1 1070 . 1 1 92 92 LYS CB C 13 37.035 0.16 . 1 . . . A 92 LYS CB . 18346 1 1071 . 1 1 92 92 LYS CG C 13 23.038 0.16 . 1 . . . A 92 LYS CG . 18346 1 1072 . 1 1 92 92 LYS CD C 13 26.653 0.16 . 1 . . . A 92 LYS CD . 18346 1 1073 . 1 1 92 92 LYS CE C 13 42.542 0.16 . 1 . . . A 92 LYS CE . 18346 1 1074 . 1 1 92 92 LYS N N 15 120.982 0.13 . 1 . . . A 92 LYS N . 18346 1 1075 . 1 1 93 93 TYR H H 1 7.840 0.006 . 1 . . . A 93 TYR H . 18346 1 1076 . 1 1 93 93 TYR HA H 1 5.279 0.006 . 1 . . . A 93 TYR HA . 18346 1 1077 . 1 1 93 93 TYR HB2 H 1 2.071 0.006 . 2 . . . A 93 TYR HB2 . 18346 1 1078 . 1 1 93 93 TYR HB3 H 1 1.732 0.006 . 2 . . . A 93 TYR HB3 . 18346 1 1079 . 1 1 93 93 TYR HD1 H 1 6.776 0.006 . 3 . . . A 93 TYR QD . 18346 1 1080 . 1 1 93 93 TYR HD2 H 1 6.776 0.006 . 3 . . . A 93 TYR QD . 18346 1 1081 . 1 1 93 93 TYR HE1 H 1 6.190 0.006 . 3 . . . A 93 TYR QE . 18346 1 1082 . 1 1 93 93 TYR HE2 H 1 6.190 0.006 . 3 . . . A 93 TYR QE . 18346 1 1083 . 1 1 93 93 TYR CA C 13 55.940 0.16 . 1 . . . A 93 TYR CA . 18346 1 1084 . 1 1 93 93 TYR CB C 13 39.898 0.16 . 1 . . . A 93 TYR CB . 18346 1 1085 . 1 1 93 93 TYR CD2 C 13 133.853 0.16 . 3 . . . A 93 TYR CD2 . 18346 1 1086 . 1 1 93 93 TYR CE2 C 13 118.144 0.16 . 3 . . . A 93 TYR CE2 . 18346 1 1087 . 1 1 93 93 TYR N N 15 118.204 0.13 . 1 . . . A 93 TYR N . 18346 1 1088 . 1 1 94 94 PHE H H 1 9.448 0.006 . 1 . . . A 94 PHE H . 18346 1 1089 . 1 1 94 94 PHE HA H 1 5.810 0.006 . 1 . . . A 94 PHE HA . 18346 1 1090 . 1 1 94 94 PHE HB2 H 1 2.693 0.006 . 2 . . . A 94 PHE HB2 . 18346 1 1091 . 1 1 94 94 PHE HB3 H 1 2.738 0.006 . 2 . . . A 94 PHE HB3 . 18346 1 1092 . 1 1 94 94 PHE HD1 H 1 6.956 0.006 . 3 . . . A 94 PHE QD . 18346 1 1093 . 1 1 94 94 PHE HD2 H 1 6.956 0.006 . 3 . . . A 94 PHE QD . 18346 1 1094 . 1 1 94 94 PHE HE1 H 1 6.988 0.006 . 3 . . . A 94 PHE QE . 18346 1 1095 . 1 1 94 94 PHE HE2 H 1 6.988 0.006 . 3 . . . A 94 PHE QE . 18346 1 1096 . 1 1 94 94 PHE HZ H 1 7.101 0.006 . 1 . . . A 94 PHE HZ . 18346 1 1097 . 1 1 94 94 PHE CA C 13 56.340 0.16 . 1 . . . A 94 PHE CA . 18346 1 1098 . 1 1 94 94 PHE CB C 13 43.479 0.16 . 1 . . . A 94 PHE CB . 18346 1 1099 . 1 1 94 94 PHE CD2 C 13 132.634 0.16 . 3 . . . A 94 PHE CD2 . 18346 1 1100 . 1 1 94 94 PHE CE2 C 13 131.937 0.16 . 3 . . . A 94 PHE CE2 . 18346 1 1101 . 1 1 94 94 PHE CZ C 13 130.549 0.16 . 1 . . . A 94 PHE CZ . 18346 1 1102 . 1 1 94 94 PHE N N 15 117.039 0.13 . 1 . . . A 94 PHE N . 18346 1 1103 . 1 1 95 95 GLU H H 1 9.395 0.006 . 1 . . . A 95 GLU H . 18346 1 1104 . 1 1 95 95 GLU HA H 1 4.855 0.006 . 1 . . . A 95 GLU HA . 18346 1 1105 . 1 1 95 95 GLU HB2 H 1 2.052 0.006 . 2 . . . A 95 GLU HB2 . 18346 1 1106 . 1 1 95 95 GLU HB3 H 1 1.936 0.006 . 2 . . . A 95 GLU HB3 . 18346 1 1107 . 1 1 95 95 GLU HG2 H 1 1.645 0.006 . 2 . . . A 95 GLU HG2 . 18346 1 1108 . 1 1 95 95 GLU HG3 H 1 1.719 0.006 . 2 . . . A 95 GLU HG3 . 18346 1 1109 . 1 1 95 95 GLU CA C 13 54.866 0.16 . 1 . . . A 95 GLU CA . 18346 1 1110 . 1 1 95 95 GLU CB C 13 33.890 0.16 . 1 . . . A 95 GLU CB . 18346 1 1111 . 1 1 95 95 GLU CG C 13 37.335 0.16 . 1 . . . A 95 GLU CG . 18346 1 1112 . 1 1 95 95 GLU N N 15 122.322 0.13 . 1 . . . A 95 GLU N . 18346 1 1113 . 1 1 96 96 ILE H H 1 9.298 0.006 . 1 . . . A 96 ILE H . 18346 1 1114 . 1 1 96 96 ILE HA H 1 4.629 0.006 . 1 . . . A 96 ILE HA . 18346 1 1115 . 1 1 96 96 ILE HB H 1 1.635 0.006 . 1 . . . A 96 ILE HB . 18346 1 1116 . 1 1 96 96 ILE HG12 H 1 0.821 0.006 . 2 . . . A 96 ILE HG12 . 18346 1 1117 . 1 1 96 96 ILE HG13 H 1 1.447 0.006 . 2 . . . A 96 ILE HG13 . 18346 1 1118 . 1 1 96 96 ILE HG21 H 1 0.743 0.006 . 1 . . . A 96 ILE QG2 . 18346 1 1119 . 1 1 96 96 ILE HG22 H 1 0.743 0.006 . 1 . . . A 96 ILE QG2 . 18346 1 1120 . 1 1 96 96 ILE HG23 H 1 0.743 0.006 . 1 . . . A 96 ILE QG2 . 18346 1 1121 . 1 1 96 96 ILE HD11 H 1 0.723 0.006 . 1 . . . A 96 ILE QD1 . 18346 1 1122 . 1 1 96 96 ILE HD12 H 1 0.723 0.006 . 1 . . . A 96 ILE QD1 . 18346 1 1123 . 1 1 96 96 ILE HD13 H 1 0.723 0.006 . 1 . . . A 96 ILE QD1 . 18346 1 1124 . 1 1 96 96 ILE CA C 13 58.571 0.16 . 1 . . . A 96 ILE CA . 18346 1 1125 . 1 1 96 96 ILE CB C 13 44.206 0.16 . 1 . . . A 96 ILE CB . 18346 1 1126 . 1 1 96 96 ILE CG1 C 13 29.040 0.16 . 1 . . . A 96 ILE CG1 . 18346 1 1127 . 1 1 96 96 ILE CG2 C 13 19.521 0.16 . 1 . . . A 96 ILE CG2 . 18346 1 1128 . 1 1 96 96 ILE CD1 C 13 16.918 0.16 . 1 . . . A 96 ILE CD1 . 18346 1 1129 . 1 1 96 96 ILE N N 15 124.779 0.13 . 1 . . . A 96 ILE N . 18346 1 1130 . 1 1 97 97 PRO HA H 1 4.554 0.006 . 1 . . . A 97 PRO HA . 18346 1 1131 . 1 1 97 97 PRO HB2 H 1 2.359 0.006 . 2 . . . A 97 PRO HB2 . 18346 1 1132 . 1 1 97 97 PRO HB3 H 1 1.977 0.006 . 2 . . . A 97 PRO HB3 . 18346 1 1133 . 1 1 97 97 PRO HG2 H 1 1.968 0.006 . 2 . . . A 97 PRO HG2 . 18346 1 1134 . 1 1 97 97 PRO HG3 H 1 2.156 0.006 . 2 . . . A 97 PRO HG3 . 18346 1 1135 . 1 1 97 97 PRO HD2 H 1 3.926 0.006 . 2 . . . A 97 PRO HD2 . 18346 1 1136 . 1 1 97 97 PRO HD3 H 1 3.288 0.006 . 2 . . . A 97 PRO HD3 . 18346 1 1137 . 1 1 97 97 PRO CA C 13 63.286 0.16 . 1 . . . A 97 PRO CA . 18346 1 1138 . 1 1 97 97 PRO CB C 13 31.647 0.16 . 1 . . . A 97 PRO CB . 18346 1 1139 . 1 1 97 97 PRO CG C 13 28.889 0.16 . 1 . . . A 97 PRO CG . 18346 1 1140 . 1 1 97 97 PRO CD C 13 51.728 0.16 . 1 . . . A 97 PRO CD . 18346 1 1141 . 1 1 98 98 MET H H 1 8.441 0.006 . 1 . . . A 98 MET H . 18346 1 1142 . 1 1 98 98 MET HA H 1 3.785 0.006 . 1 . . . A 98 MET HA . 18346 1 1143 . 1 1 98 98 MET HB2 H 1 2.004 0.006 . 2 . . . A 98 MET HB2 . 18346 1 1144 . 1 1 98 98 MET HB3 H 1 1.748 0.006 . 2 . . . A 98 MET HB3 . 18346 1 1145 . 1 1 98 98 MET HG2 H 1 2.219 0.006 . 2 . . . A 98 MET QG . 18346 1 1146 . 1 1 98 98 MET HG3 H 1 2.219 0.006 . 2 . . . A 98 MET QG . 18346 1 1147 . 1 1 98 98 MET HE1 H 1 1.492 0.006 . 1 . . . A 98 MET QE . 18346 1 1148 . 1 1 98 98 MET HE2 H 1 1.492 0.006 . 1 . . . A 98 MET QE . 18346 1 1149 . 1 1 98 98 MET HE3 H 1 1.492 0.006 . 1 . . . A 98 MET QE . 18346 1 1150 . 1 1 98 98 MET CA C 13 60.531 0.16 . 1 . . . A 98 MET CA . 18346 1 1151 . 1 1 98 98 MET CB C 13 33.260 0.16 . 1 . . . A 98 MET CB . 18346 1 1152 . 1 1 98 98 MET CG C 13 35.626 0.16 . 1 . . . A 98 MET CG . 18346 1 1153 . 1 1 98 98 MET CE C 13 18.275 0.16 . 1 . . . A 98 MET CE . 18346 1 1154 . 1 1 98 98 MET N N 15 124.284 0.13 . 1 . . . A 98 MET N . 18346 1 1155 . 1 1 99 99 ASP H H 1 8.722 0.006 . 1 . . . A 99 ASP H . 18346 1 1156 . 1 1 99 99 ASP HA H 1 4.476 0.006 . 1 . . . A 99 ASP HA . 18346 1 1157 . 1 1 99 99 ASP HB2 H 1 2.712 0.006 . 2 . . . A 99 ASP HB2 . 18346 1 1158 . 1 1 99 99 ASP HB3 H 1 2.576 0.006 . 2 . . . A 99 ASP HB3 . 18346 1 1159 . 1 1 99 99 ASP CA C 13 55.636 0.16 . 1 . . . A 99 ASP CA . 18346 1 1160 . 1 1 99 99 ASP CB C 13 40.444 0.16 . 1 . . . A 99 ASP CB . 18346 1 1161 . 1 1 99 99 ASP N N 15 113.716 0.13 . 1 . . . A 99 ASP N . 18346 1 1162 . 1 1 100 100 ALA H H 1 7.428 0.006 . 1 . . . A 100 ALA H . 18346 1 1163 . 1 1 100 100 ALA HA H 1 4.403 0.006 . 1 . . . A 100 ALA HA . 18346 1 1164 . 1 1 100 100 ALA HB1 H 1 1.462 0.006 . 1 . . . A 100 ALA QB . 18346 1 1165 . 1 1 100 100 ALA HB2 H 1 1.462 0.006 . 1 . . . A 100 ALA QB . 18346 1 1166 . 1 1 100 100 ALA HB3 H 1 1.462 0.006 . 1 . . . A 100 ALA QB . 18346 1 1167 . 1 1 100 100 ALA CA C 13 52.322 0.16 . 1 . . . A 100 ALA CA . 18346 1 1168 . 1 1 100 100 ALA CB C 13 20.921 0.16 . 1 . . . A 100 ALA CB . 18346 1 1169 . 1 1 100 100 ALA N N 15 117.791 0.13 . 1 . . . A 100 ALA N . 18346 1 1170 . 1 1 101 101 LEU H H 1 7.063 0.006 . 1 . . . A 101 LEU H . 18346 1 1171 . 1 1 101 101 LEU HA H 1 4.441 0.006 . 1 . . . A 101 LEU HA . 18346 1 1172 . 1 1 101 101 LEU HB2 H 1 2.169 0.006 . 2 . . . A 101 LEU HB2 . 18346 1 1173 . 1 1 101 101 LEU HB3 H 1 2.023 0.006 . 2 . . . A 101 LEU HB3 . 18346 1 1174 . 1 1 101 101 LEU HG H 1 1.668 0.006 . 1 . . . A 101 LEU HG . 18346 1 1175 . 1 1 101 101 LEU HD11 H 1 1.153 0.006 . 2 . . . A 101 LEU QD1 . 18346 1 1176 . 1 1 101 101 LEU HD12 H 1 1.153 0.006 . 2 . . . A 101 LEU QD1 . 18346 1 1177 . 1 1 101 101 LEU HD13 H 1 1.153 0.006 . 2 . . . A 101 LEU QD1 . 18346 1 1178 . 1 1 101 101 LEU HD21 H 1 0.907 0.006 . 2 . . . A 101 LEU QD2 . 18346 1 1179 . 1 1 101 101 LEU HD22 H 1 0.907 0.006 . 2 . . . A 101 LEU QD2 . 18346 1 1180 . 1 1 101 101 LEU HD23 H 1 0.907 0.006 . 2 . . . A 101 LEU QD2 . 18346 1 1181 . 1 1 101 101 LEU CA C 13 54.372 0.16 . 1 . . . A 101 LEU CA . 18346 1 1182 . 1 1 101 101 LEU CB C 13 43.464 0.16 . 1 . . . A 101 LEU CB . 18346 1 1183 . 1 1 101 101 LEU CG C 13 27.212 0.16 . 1 . . . A 101 LEU CG . 18346 1 1184 . 1 1 101 101 LEU CD1 C 13 26.123 0.16 . 2 . . . A 101 LEU CD1 . 18346 1 1185 . 1 1 101 101 LEU CD2 C 13 22.948 0.16 . 2 . . . A 101 LEU CD2 . 18346 1 1186 . 1 1 101 101 LEU N N 15 117.260 0.13 . 1 . . . A 101 LEU N . 18346 1 1187 . 1 1 102 102 GLN H H 1 9.006 0.006 . 1 . . . A 102 GLN H . 18346 1 1188 . 1 1 102 102 GLN HA H 1 3.831 0.006 . 1 . . . A 102 GLN HA . 18346 1 1189 . 1 1 102 102 GLN HB2 H 1 1.864 0.006 . 2 . . . A 102 GLN HB2 . 18346 1 1190 . 1 1 102 102 GLN HB3 H 1 1.834 0.006 . 2 . . . A 102 GLN HB3 . 18346 1 1191 . 1 1 102 102 GLN HG2 H 1 2.259 0.006 . 2 . . . A 102 GLN HG2 . 18346 1 1192 . 1 1 102 102 GLN HG3 H 1 2.198 0.006 . 2 . . . A 102 GLN HG3 . 18346 1 1193 . 1 1 102 102 GLN HE21 H 1 6.744 0.006 . 2 . . . A 102 GLN HE21 . 18346 1 1194 . 1 1 102 102 GLN HE22 H 1 7.298 0.006 . 2 . . . A 102 GLN HE22 . 18346 1 1195 . 1 1 102 102 GLN CA C 13 58.069 0.16 . 1 . . . A 102 GLN CA . 18346 1 1196 . 1 1 102 102 GLN CB C 13 30.266 0.16 . 1 . . . A 102 GLN CB . 18346 1 1197 . 1 1 102 102 GLN CG C 13 34.068 0.16 . 1 . . . A 102 GLN CG . 18346 1 1198 . 1 1 102 102 GLN N N 15 118.762 0.13 . 1 . . . A 102 GLN N . 18346 1 1199 . 1 1 102 102 GLN NE2 N 15 110.473 0.13 . 1 . . . A 102 GLN NE2 . 18346 1 1200 . 1 1 103 103 ASP H H 1 7.915 0.006 . 1 . . . A 103 ASP H . 18346 1 1201 . 1 1 103 103 ASP HA H 1 4.389 0.006 . 1 . . . A 103 ASP HA . 18346 1 1202 . 1 1 103 103 ASP HB2 H 1 2.640 0.006 . 2 . . . A 103 ASP QB . 18346 1 1203 . 1 1 103 103 ASP HB3 H 1 2.640 0.006 . 2 . . . A 103 ASP QB . 18346 1 1204 . 1 1 103 103 ASP CA C 13 52.518 0.16 . 1 . . . A 103 ASP CA . 18346 1 1205 . 1 1 103 103 ASP CB C 13 41.524 0.16 . 1 . . . A 103 ASP CB . 18346 1 1206 . 1 1 103 103 ASP N N 15 115.635 0.13 . 1 . . . A 103 ASP N . 18346 1 1207 . 1 1 104 104 ASN H H 1 7.930 0.006 . 1 . . . A 104 ASN H . 18346 1 1208 . 1 1 104 104 ASN HA H 1 4.268 0.006 . 1 . . . A 104 ASN HA . 18346 1 1209 . 1 1 104 104 ASN HB2 H 1 2.351 0.006 . 2 . . . A 104 ASN HB2 . 18346 1 1210 . 1 1 104 104 ASN HB3 H 1 2.218 0.006 . 2 . . . A 104 ASN HB3 . 18346 1 1211 . 1 1 104 104 ASN HD21 H 1 6.577 0.006 . 2 . . . A 104 ASN HD21 . 18346 1 1212 . 1 1 104 104 ASN HD22 H 1 7.165 0.006 . 2 . . . A 104 ASN HD22 . 18346 1 1213 . 1 1 104 104 ASN CA C 13 51.699 0.16 . 1 . . . A 104 ASN CA . 18346 1 1214 . 1 1 104 104 ASN CB C 13 35.783 0.16 . 1 . . . A 104 ASN CB . 18346 1 1215 . 1 1 104 104 ASN N N 15 116.584 0.13 . 1 . . . A 104 ASN N . 18346 1 1216 . 1 1 104 104 ASN ND2 N 15 108.835 0.13 . 1 . . . A 104 ASN ND2 . 18346 1 1217 . 1 1 105 105 SER H H 1 7.787 0.006 . 1 . . . A 105 SER H . 18346 1 1218 . 1 1 105 105 SER HA H 1 5.201 0.006 . 1 . . . A 105 SER HA . 18346 1 1219 . 1 1 105 105 SER HB2 H 1 3.351 0.006 . 2 . . . A 105 SER HB2 . 18346 1 1220 . 1 1 105 105 SER HB3 H 1 3.673 0.006 . 2 . . . A 105 SER HB3 . 18346 1 1221 . 1 1 105 105 SER CA C 13 57.800 0.16 . 1 . . . A 105 SER CA . 18346 1 1222 . 1 1 105 105 SER CB C 13 66.764 0.16 . 1 . . . A 105 SER CB . 18346 1 1223 . 1 1 105 105 SER N N 15 113.212 0.13 . 1 . . . A 105 SER N . 18346 1 1224 . 1 1 106 106 ILE H H 1 8.896 0.006 . 1 . . . A 106 ILE H . 18346 1 1225 . 1 1 106 106 ILE HA H 1 4.929 0.006 . 1 . . . A 106 ILE HA . 18346 1 1226 . 1 1 106 106 ILE HB H 1 1.704 0.006 . 1 . . . A 106 ILE HB . 18346 1 1227 . 1 1 106 106 ILE HG12 H 1 0.425 0.006 . 1 . . . A 106 ILE QG1 . 18346 1 1228 . 1 1 106 106 ILE HG13 H 1 0.425 0.006 . 1 . . . A 106 ILE QG1 . 18346 1 1229 . 1 1 106 106 ILE HG21 H 1 0.931 0.006 . 1 . . . A 106 ILE QG2 . 18346 1 1230 . 1 1 106 106 ILE HG22 H 1 0.931 0.006 . 1 . . . A 106 ILE QG2 . 18346 1 1231 . 1 1 106 106 ILE HG23 H 1 0.931 0.006 . 1 . . . A 106 ILE QG2 . 18346 1 1232 . 1 1 106 106 ILE HD11 H 1 0.864 0.006 . 1 . . . A 106 ILE QD1 . 18346 1 1233 . 1 1 106 106 ILE HD12 H 1 0.864 0.006 . 1 . . . A 106 ILE QD1 . 18346 1 1234 . 1 1 106 106 ILE HD13 H 1 0.864 0.006 . 1 . . . A 106 ILE QD1 . 18346 1 1235 . 1 1 106 106 ILE CA C 13 57.011 0.16 . 1 . . . A 106 ILE CA . 18346 1 1236 . 1 1 106 106 ILE CB C 13 42.277 0.16 . 1 . . . A 106 ILE CB . 18346 1 1237 . 1 1 106 106 ILE CG1 C 13 27.218 0.16 . 1 . . . A 106 ILE CG1 . 18346 1 1238 . 1 1 106 106 ILE CG2 C 13 17.533 0.16 . 1 . . . A 106 ILE CG2 . 18346 1 1239 . 1 1 106 106 ILE CD1 C 13 15.392 0.16 . 1 . . . A 106 ILE CD1 . 18346 1 1240 . 1 1 106 106 ILE N N 15 116.188 0.13 . 1 . . . A 106 ILE N . 18346 1 1241 . 1 1 107 107 GLN H H 1 7.300 0.006 . 1 . . . A 107 GLN H . 18346 1 1242 . 1 1 107 107 GLN HA H 1 4.264 0.006 . 1 . . . A 107 GLN HA . 18346 1 1243 . 1 1 107 107 GLN HB2 H 1 1.814 0.006 . 2 . . . A 107 GLN QB . 18346 1 1244 . 1 1 107 107 GLN HB3 H 1 1.814 0.006 . 2 . . . A 107 GLN QB . 18346 1 1245 . 1 1 107 107 GLN HG2 H 1 1.892 0.006 . 2 . . . A 107 GLN QG . 18346 1 1246 . 1 1 107 107 GLN HG3 H 1 1.892 0.006 . 2 . . . A 107 GLN QG . 18346 1 1247 . 1 1 107 107 GLN HE21 H 1 7.013 0.006 . 2 . . . A 107 GLN HE21 . 18346 1 1248 . 1 1 107 107 GLN HE22 H 1 7.639 0.006 . 2 . . . A 107 GLN HE22 . 18346 1 1249 . 1 1 107 107 GLN CA C 13 55.521 0.16 . 1 . . . A 107 GLN CA . 18346 1 1250 . 1 1 107 107 GLN CB C 13 33.421 0.16 . 1 . . . A 107 GLN CB . 18346 1 1251 . 1 1 107 107 GLN CG C 13 34.253 0.16 . 1 . . . A 107 GLN CG . 18346 1 1252 . 1 1 107 107 GLN N N 15 122.090 0.13 . 1 . . . A 107 GLN N . 18346 1 1253 . 1 1 107 107 GLN NE2 N 15 111.941 0.13 . 1 . . . A 107 GLN NE2 . 18346 1 1254 . 1 1 108 108 ILE H H 1 8.609 0.006 . 1 . . . A 108 ILE H . 18346 1 1255 . 1 1 108 108 ILE HA H 1 4.322 0.006 . 1 . . . A 108 ILE HA . 18346 1 1256 . 1 1 108 108 ILE HB H 1 1.073 0.006 . 1 . . . A 108 ILE HB . 18346 1 1257 . 1 1 108 108 ILE HG12 H 1 1.222 0.006 . 2 . . . A 108 ILE HG12 . 18346 1 1258 . 1 1 108 108 ILE HG21 H 1 0.570 0.006 . 1 . . . A 108 ILE QG2 . 18346 1 1259 . 1 1 108 108 ILE HG22 H 1 0.570 0.006 . 1 . . . A 108 ILE QG2 . 18346 1 1260 . 1 1 108 108 ILE HG23 H 1 0.570 0.006 . 1 . . . A 108 ILE QG2 . 18346 1 1261 . 1 1 108 108 ILE HD11 H 1 0.286 0.006 . 1 . . . A 108 ILE QD1 . 18346 1 1262 . 1 1 108 108 ILE HD12 H 1 0.286 0.006 . 1 . . . A 108 ILE QD1 . 18346 1 1263 . 1 1 108 108 ILE HD13 H 1 0.286 0.006 . 1 . . . A 108 ILE QD1 . 18346 1 1264 . 1 1 108 108 ILE CA C 13 60.122 0.16 . 1 . . . A 108 ILE CA . 18346 1 1265 . 1 1 108 108 ILE CB C 13 41.073 0.16 . 1 . . . A 108 ILE CB . 18346 1 1266 . 1 1 108 108 ILE CG1 C 13 27.468 0.16 . 1 . . . A 108 ILE CG1 . 18346 1 1267 . 1 1 108 108 ILE CG2 C 13 18.209 0.16 . 1 . . . A 108 ILE CG2 . 18346 1 1268 . 1 1 108 108 ILE CD1 C 13 13.893 0.16 . 1 . . . A 108 ILE CD1 . 18346 1 1269 . 1 1 108 108 ILE N N 15 125.164 0.13 . 1 . . . A 108 ILE N . 18346 1 1270 . 1 1 109 109 LYS H H 1 8.217 0.006 . 1 . . . A 109 LYS H . 18346 1 1271 . 1 1 109 109 LYS HA H 1 5.194 0.006 . 1 . . . A 109 LYS HA . 18346 1 1272 . 1 1 109 109 LYS HB2 H 1 1.063 0.006 . 2 . . . A 109 LYS HB2 . 18346 1 1273 . 1 1 109 109 LYS HB3 H 1 0.937 0.006 . 2 . . . A 109 LYS HB3 . 18346 1 1274 . 1 1 109 109 LYS HG2 H 1 0.497 0.006 . 2 . . . A 109 LYS HG2 . 18346 1 1275 . 1 1 109 109 LYS HG3 H 1 0.917 0.006 . 2 . . . A 109 LYS HG3 . 18346 1 1276 . 1 1 109 109 LYS HD2 H 1 0.521 0.006 . 2 . . . A 109 LYS HD2 . 18346 1 1277 . 1 1 109 109 LYS HD3 H 1 1.031 0.006 . 2 . . . A 109 LYS HD3 . 18346 1 1278 . 1 1 109 109 LYS HE2 H 1 2.130 0.006 . 2 . . . A 109 LYS HE2 . 18346 1 1279 . 1 1 109 109 LYS HE3 H 1 2.741 0.006 . 2 . . . A 109 LYS HE3 . 18346 1 1280 . 1 1 109 109 LYS CA C 13 54.037 0.16 . 1 . . . A 109 LYS CA . 18346 1 1281 . 1 1 109 109 LYS CB C 13 36.354 0.16 . 1 . . . A 109 LYS CB . 18346 1 1282 . 1 1 109 109 LYS CG C 13 24.794 0.16 . 1 . . . A 109 LYS CG . 18346 1 1283 . 1 1 109 109 LYS CD C 13 30.662 0.16 . 1 . . . A 109 LYS CD . 18346 1 1284 . 1 1 109 109 LYS CE C 13 41.929 0.16 . 1 . . . A 109 LYS CE . 18346 1 1285 . 1 1 109 109 LYS N N 15 122.025 0.13 . 1 . . . A 109 LYS N . 18346 1 1286 . 1 1 110 110 ALA H H 1 8.799 0.006 . 1 . . . A 110 ALA H . 18346 1 1287 . 1 1 110 110 ALA HA H 1 5.240 0.006 . 1 . . . A 110 ALA HA . 18346 1 1288 . 1 1 110 110 ALA HB1 H 1 1.406 0.006 . 1 . . . A 110 ALA QB . 18346 1 1289 . 1 1 110 110 ALA HB2 H 1 1.406 0.006 . 1 . . . A 110 ALA QB . 18346 1 1290 . 1 1 110 110 ALA HB3 H 1 1.406 0.006 . 1 . . . A 110 ALA QB . 18346 1 1291 . 1 1 110 110 ALA CA C 13 51.612 0.16 . 1 . . . A 110 ALA CA . 18346 1 1292 . 1 1 110 110 ALA CB C 13 23.576 0.16 . 1 . . . A 110 ALA CB . 18346 1 1293 . 1 1 110 110 ALA N N 15 120.594 0.13 . 1 . . . A 110 ALA N . 18346 1 1294 . 1 1 111 111 LEU H H 1 8.338 0.006 . 1 . . . A 111 LEU H . 18346 1 1295 . 1 1 111 111 LEU HA H 1 3.512 0.006 . 1 . . . A 111 LEU HA . 18346 1 1296 . 1 1 111 111 LEU HB2 H 1 0.927 0.006 . 2 . . . A 111 LEU HB2 . 18346 1 1297 . 1 1 111 111 LEU HB3 H 1 1.478 0.006 . 2 . . . A 111 LEU HB3 . 18346 1 1298 . 1 1 111 111 LEU HG H 1 1.046 0.006 . 1 . . . A 111 LEU HG . 18346 1 1299 . 1 1 111 111 LEU HD11 H 1 0.069 0.006 . 2 . . . A 111 LEU QD1 . 18346 1 1300 . 1 1 111 111 LEU HD12 H 1 0.069 0.006 . 2 . . . A 111 LEU QD1 . 18346 1 1301 . 1 1 111 111 LEU HD13 H 1 0.069 0.006 . 2 . . . A 111 LEU QD1 . 18346 1 1302 . 1 1 111 111 LEU HD21 H 1 0.385 0.006 . 2 . . . A 111 LEU QD2 . 18346 1 1303 . 1 1 111 111 LEU HD22 H 1 0.385 0.006 . 2 . . . A 111 LEU QD2 . 18346 1 1304 . 1 1 111 111 LEU HD23 H 1 0.385 0.006 . 2 . . . A 111 LEU QD2 . 18346 1 1305 . 1 1 111 111 LEU CA C 13 55.346 0.16 . 1 . . . A 111 LEU CA . 18346 1 1306 . 1 1 111 111 LEU CB C 13 45.286 0.16 . 1 . . . A 111 LEU CB . 18346 1 1307 . 1 1 111 111 LEU CG C 13 26.741 0.16 . 1 . . . A 111 LEU CG . 18346 1 1308 . 1 1 111 111 LEU CD1 C 13 22.931 0.16 . 2 . . . A 111 LEU CD1 . 18346 1 1309 . 1 1 111 111 LEU CD2 C 13 25.430 0.16 . 2 . . . A 111 LEU CD2 . 18346 1 1310 . 1 1 111 111 LEU N N 15 121.646 0.13 . 1 . . . A 111 LEU N . 18346 1 1311 . 1 1 112 112 SER H H 1 8.781 0.006 . 1 . . . A 112 SER H . 18346 1 1312 . 1 1 112 112 SER HA H 1 4.696 0.006 . 1 . . . A 112 SER HA . 18346 1 1313 . 1 1 112 112 SER HB2 H 1 3.718 0.006 . 2 . . . A 112 SER HB2 . 18346 1 1314 . 1 1 112 112 SER HB3 H 1 3.798 0.006 . 2 . . . A 112 SER HB3 . 18346 1 1315 . 1 1 112 112 SER CA C 13 57.812 0.16 . 1 . . . A 112 SER CA . 18346 1 1316 . 1 1 112 112 SER CB C 13 63.515 0.16 . 1 . . . A 112 SER CB . 18346 1 1317 . 1 1 112 112 SER N N 15 120.259 0.13 . 1 . . . A 112 SER N . 18346 1 1318 . 1 1 113 113 SER H H 1 7.714 0.006 . 1 . . . A 113 SER H . 18346 1 1319 . 1 1 113 113 SER HA H 1 4.376 0.006 . 1 . . . A 113 SER HA . 18346 1 1320 . 1 1 113 113 SER HB2 H 1 3.820 0.006 . 2 . . . A 113 SER QB . 18346 1 1321 . 1 1 113 113 SER HB3 H 1 3.820 0.006 . 2 . . . A 113 SER QB . 18346 1 1322 . 1 1 113 113 SER CA C 13 57.787 0.16 . 1 . . . A 113 SER CA . 18346 1 1323 . 1 1 113 113 SER CB C 13 64.507 0.16 . 1 . . . A 113 SER CB . 18346 1 1324 . 1 1 113 113 SER N N 15 111.196 0.13 . 1 . . . A 113 SER N . 18346 1 1325 . 1 1 114 114 GLY H H 1 8.604 0.006 . 1 . . . A 114 GLY H . 18346 1 1326 . 1 1 114 114 GLY HA2 H 1 3.710 0.006 . 2 . . . A 114 GLY HA2 . 18346 1 1327 . 1 1 114 114 GLY HA3 H 1 3.981 0.006 . 2 . . . A 114 GLY HA3 . 18346 1 1328 . 1 1 114 114 GLY CA C 13 47.633 0.16 . 1 . . . A 114 GLY CA . 18346 1 1329 . 1 1 114 114 GLY N N 15 109.379 0.13 . 1 . . . A 114 GLY N . 18346 1 1330 . 1 1 115 115 THR H H 1 8.563 0.006 . 1 . . . A 115 THR H . 18346 1 1331 . 1 1 115 115 THR HA H 1 4.197 0.006 . 1 . . . A 115 THR HA . 18346 1 1332 . 1 1 115 115 THR HB H 1 4.498 0.006 . 1 . . . A 115 THR HB . 18346 1 1333 . 1 1 115 115 THR HG21 H 1 1.084 0.006 . 1 . . . A 115 THR QG2 . 18346 1 1334 . 1 1 115 115 THR HG22 H 1 1.084 0.006 . 1 . . . A 115 THR QG2 . 18346 1 1335 . 1 1 115 115 THR HG23 H 1 1.084 0.006 . 1 . . . A 115 THR QG2 . 18346 1 1336 . 1 1 115 115 THR CA C 13 60.982 0.16 . 1 . . . A 115 THR CA . 18346 1 1337 . 1 1 115 115 THR CB C 13 69.092 0.16 . 1 . . . A 115 THR CB . 18346 1 1338 . 1 1 115 115 THR CG2 C 13 21.743 0.16 . 1 . . . A 115 THR CG2 . 18346 1 1339 . 1 1 115 115 THR N N 15 114.961 0.13 . 1 . . . A 115 THR N . 18346 1 1340 . 1 1 116 116 THR H H 1 8.165 0.006 . 1 . . . A 116 THR H . 18346 1 1341 . 1 1 116 116 THR HA H 1 4.291 0.006 . 1 . . . A 116 THR HA . 18346 1 1342 . 1 1 116 116 THR HB H 1 4.281 0.006 . 1 . . . A 116 THR HB . 18346 1 1343 . 1 1 116 116 THR HG21 H 1 1.211 0.006 . 1 . . . A 116 THR QG2 . 18346 1 1344 . 1 1 116 116 THR HG22 H 1 1.211 0.006 . 1 . . . A 116 THR QG2 . 18346 1 1345 . 1 1 116 116 THR HG23 H 1 1.211 0.006 . 1 . . . A 116 THR QG2 . 18346 1 1346 . 1 1 116 116 THR CA C 13 63.325 0.16 . 1 . . . A 116 THR CA . 18346 1 1347 . 1 1 116 116 THR CB C 13 70.133 0.16 . 1 . . . A 116 THR CB . 18346 1 1348 . 1 1 116 116 THR CG2 C 13 22.082 0.16 . 1 . . . A 116 THR CG2 . 18346 1 1349 . 1 1 116 116 THR N N 15 118.347 0.13 . 1 . . . A 116 THR N . 18346 1 1350 . 1 1 117 117 PHE H H 1 8.743 0.006 . 1 . . . A 117 PHE H . 18346 1 1351 . 1 1 117 117 PHE HA H 1 4.750 0.006 . 1 . . . A 117 PHE HA . 18346 1 1352 . 1 1 117 117 PHE HB2 H 1 2.129 0.006 . 2 . . . A 117 PHE HB2 . 18346 1 1353 . 1 1 117 117 PHE HB3 H 1 2.732 0.006 . 2 . . . A 117 PHE HB3 . 18346 1 1354 . 1 1 117 117 PHE HD1 H 1 6.842 0.006 . 3 . . . A 117 PHE QD . 18346 1 1355 . 1 1 117 117 PHE HD2 H 1 6.842 0.006 . 3 . . . A 117 PHE QD . 18346 1 1356 . 1 1 117 117 PHE HE1 H 1 6.986 0.006 . 3 . . . A 117 PHE QE . 18346 1 1357 . 1 1 117 117 PHE HE2 H 1 6.986 0.006 . 3 . . . A 117 PHE QE . 18346 1 1358 . 1 1 117 117 PHE CA C 13 57.862 0.16 . 1 . . . A 117 PHE CA . 18346 1 1359 . 1 1 117 117 PHE CB C 13 41.858 0.16 . 1 . . . A 117 PHE CB . 18346 1 1360 . 1 1 117 117 PHE CD1 C 13 132.082 0.16 . 3 . . . A 117 PHE CD1 . 18346 1 1361 . 1 1 117 117 PHE CE1 C 13 131.700 0.16 . 3 . . . A 117 PHE CE1 . 18346 1 1362 . 1 1 117 117 PHE N N 15 124.654 0.13 . 1 . . . A 117 PHE N . 18346 1 1363 . 1 1 118 118 VAL H H 1 8.982 0.006 . 1 . . . A 118 VAL H . 18346 1 1364 . 1 1 118 118 VAL HA H 1 4.172 0.006 . 1 . . . A 118 VAL HA . 18346 1 1365 . 1 1 118 118 VAL HB H 1 1.655 0.006 . 1 . . . A 118 VAL HB . 18346 1 1366 . 1 1 118 118 VAL HG11 H 1 0.710 0.006 . 2 . . . A 118 VAL QG1 . 18346 1 1367 . 1 1 118 118 VAL HG12 H 1 0.710 0.006 . 2 . . . A 118 VAL QG1 . 18346 1 1368 . 1 1 118 118 VAL HG13 H 1 0.710 0.006 . 2 . . . A 118 VAL QG1 . 18346 1 1369 . 1 1 118 118 VAL HG21 H 1 0.759 0.006 . 2 . . . A 118 VAL QG2 . 18346 1 1370 . 1 1 118 118 VAL HG22 H 1 0.759 0.006 . 2 . . . A 118 VAL QG2 . 18346 1 1371 . 1 1 118 118 VAL HG23 H 1 0.759 0.006 . 2 . . . A 118 VAL QG2 . 18346 1 1372 . 1 1 118 118 VAL CA C 13 61.661 0.16 . 1 . . . A 118 VAL CA . 18346 1 1373 . 1 1 118 118 VAL CB C 13 33.699 0.16 . 1 . . . A 118 VAL CB . 18346 1 1374 . 1 1 118 118 VAL CG1 C 13 22.335 0.16 . 2 . . . A 118 VAL CG1 . 18346 1 1375 . 1 1 118 118 VAL CG2 C 13 21.948 0.16 . 2 . . . A 118 VAL CG2 . 18346 1 1376 . 1 1 118 118 VAL N N 15 120.346 0.13 . 1 . . . A 118 VAL N . 18346 1 1377 . 1 1 119 119 TYR H H 1 8.596 0.006 . 1 . . . A 119 TYR H . 18346 1 1378 . 1 1 119 119 TYR HA H 1 4.816 0.006 . 1 . . . A 119 TYR HA . 18346 1 1379 . 1 1 119 119 TYR HB2 H 1 3.025 0.006 . 2 . . . A 119 TYR HB2 . 18346 1 1380 . 1 1 119 119 TYR HB3 H 1 2.778 0.006 . 2 . . . A 119 TYR HB3 . 18346 1 1381 . 1 1 119 119 TYR HD1 H 1 6.892 0.006 . 3 . . . A 119 TYR QD . 18346 1 1382 . 1 1 119 119 TYR HD2 H 1 6.892 0.006 . 3 . . . A 119 TYR QD . 18346 1 1383 . 1 1 119 119 TYR HE1 H 1 6.606 0.006 . 3 . . . A 119 TYR QE . 18346 1 1384 . 1 1 119 119 TYR HE2 H 1 6.606 0.006 . 3 . . . A 119 TYR QE . 18346 1 1385 . 1 1 119 119 TYR CA C 13 57.229 0.16 . 1 . . . A 119 TYR CA . 18346 1 1386 . 1 1 119 119 TYR CB C 13 41.474 0.16 . 1 . . . A 119 TYR CB . 18346 1 1387 . 1 1 119 119 TYR CD1 C 13 133.637 0.16 . 3 . . . A 119 TYR CD1 . 18346 1 1388 . 1 1 119 119 TYR CE1 C 13 118.994 0.16 . 3 . . . A 119 TYR CE1 . 18346 1 1389 . 1 1 119 119 TYR N N 15 122.700 0.13 . 1 . . . A 119 TYR N . 18346 1 1390 . 1 1 120 120 SER H H 1 8.896 0.006 . 1 . . . A 120 SER H . 18346 1 1391 . 1 1 120 120 SER HA H 1 4.787 0.006 . 1 . . . A 120 SER HA . 18346 1 1392 . 1 1 120 120 SER HB2 H 1 3.486 0.006 . 2 . . . A 120 SER HB2 . 18346 1 1393 . 1 1 120 120 SER HB3 H 1 4.367 0.006 . 2 . . . A 120 SER HB3 . 18346 1 1394 . 1 1 120 120 SER CA C 13 58.372 0.16 . 1 . . . A 120 SER CA . 18346 1 1395 . 1 1 120 120 SER CB C 13 65.952 0.16 . 1 . . . A 120 SER CB . 18346 1 1396 . 1 1 120 120 SER N N 15 115.100 0.13 . 1 . . . A 120 SER N . 18346 1 1397 . 1 1 121 121 GLN H H 1 9.890 0.006 . 1 . . . A 121 GLN H . 18346 1 1398 . 1 1 121 121 GLN HA H 1 4.477 0.006 . 1 . . . A 121 GLN HA . 18346 1 1399 . 1 1 121 121 GLN HB2 H 1 2.181 0.006 . 2 . . . A 121 GLN HB2 . 18346 1 1400 . 1 1 121 121 GLN HB3 H 1 1.894 0.006 . 2 . . . A 121 GLN HB3 . 18346 1 1401 . 1 1 121 121 GLN HG2 H 1 2.257 0.006 . 2 . . . A 121 GLN HG2 . 18346 1 1402 . 1 1 121 121 GLN HG3 H 1 2.593 0.006 . 2 . . . A 121 GLN HG3 . 18346 1 1403 . 1 1 121 121 GLN HE21 H 1 7.925 0.006 . 2 . . . A 121 GLN HE21 . 18346 1 1404 . 1 1 121 121 GLN HE22 H 1 7.974 0.006 . 2 . . . A 121 GLN HE22 . 18346 1 1405 . 1 1 121 121 GLN CA C 13 55.807 0.16 . 1 . . . A 121 GLN CA . 18346 1 1406 . 1 1 121 121 GLN CB C 13 29.004 0.16 . 1 . . . A 121 GLN CB . 18346 1 1407 . 1 1 121 121 GLN CG C 13 34.055 0.16 . 1 . . . A 121 GLN CG . 18346 1 1408 . 1 1 121 121 GLN N N 15 120.667 0.13 . 1 . . . A 121 GLN N . 18346 1 1409 . 1 1 121 121 GLN NE2 N 15 114.161 0.13 . 1 . . . A 121 GLN NE2 . 18346 1 1410 . 1 1 122 122 LYS H H 1 8.490 0.006 . 1 . . . A 122 LYS H . 18346 1 1411 . 1 1 122 122 LYS HA H 1 4.689 0.006 . 1 . . . A 122 LYS HA . 18346 1 1412 . 1 1 122 122 LYS HB2 H 1 1.297 0.006 . 2 . . . A 122 LYS HB2 . 18346 1 1413 . 1 1 122 122 LYS HB3 H 1 1.762 0.006 . 2 . . . A 122 LYS HB3 . 18346 1 1414 . 1 1 122 122 LYS HG2 H 1 1.056 0.006 . 2 . . . A 122 LYS QG . 18346 1 1415 . 1 1 122 122 LYS HG3 H 1 1.056 0.006 . 2 . . . A 122 LYS QG . 18346 1 1416 . 1 1 122 122 LYS HD2 H 1 1.468 0.006 . 2 . . . A 122 LYS HD2 . 18346 1 1417 . 1 1 122 122 LYS HD3 H 1 1.538 0.006 . 2 . . . A 122 LYS HD3 . 18346 1 1418 . 1 1 122 122 LYS HE2 H 1 2.851 0.006 . 2 . . . A 122 LYS QE . 18346 1 1419 . 1 1 122 122 LYS HE3 H 1 2.851 0.006 . 2 . . . A 122 LYS QE . 18346 1 1420 . 1 1 122 122 LYS CA C 13 55.656 0.16 . 1 . . . A 122 LYS CA . 18346 1 1421 . 1 1 122 122 LYS CB C 13 33.583 0.16 . 1 . . . A 122 LYS CB . 18346 1 1422 . 1 1 122 122 LYS CG C 13 25.419 0.16 . 1 . . . A 122 LYS CG . 18346 1 1423 . 1 1 122 122 LYS CD C 13 29.693 0.16 . 1 . . . A 122 LYS CD . 18346 1 1424 . 1 1 122 122 LYS CE C 13 41.857 0.16 . 1 . . . A 122 LYS CE . 18346 1 1425 . 1 1 122 122 LYS N N 15 124.483 0.13 . 1 . . . A 122 LYS N . 18346 1 1426 . 1 1 123 123 ILE H H 1 8.619 0.006 . 1 . . . A 123 ILE H . 18346 1 1427 . 1 1 123 123 ILE HA H 1 4.537 0.006 . 1 . . . A 123 ILE HA . 18346 1 1428 . 1 1 123 123 ILE HB H 1 1.921 0.006 . 1 . . . A 123 ILE HB . 18346 1 1429 . 1 1 123 123 ILE HG12 H 1 1.065 0.006 . 2 . . . A 123 ILE HG12 . 18346 1 1430 . 1 1 123 123 ILE HG13 H 1 1.344 0.006 . 2 . . . A 123 ILE HG13 . 18346 1 1431 . 1 1 123 123 ILE HG21 H 1 0.726 0.006 . 1 . . . A 123 ILE QG2 . 18346 1 1432 . 1 1 123 123 ILE HG22 H 1 0.726 0.006 . 1 . . . A 123 ILE QG2 . 18346 1 1433 . 1 1 123 123 ILE HG23 H 1 0.726 0.006 . 1 . . . A 123 ILE QG2 . 18346 1 1434 . 1 1 123 123 ILE HD11 H 1 0.622 0.006 . 1 . . . A 123 ILE QD1 . 18346 1 1435 . 1 1 123 123 ILE HD12 H 1 0.622 0.006 . 1 . . . A 123 ILE QD1 . 18346 1 1436 . 1 1 123 123 ILE HD13 H 1 0.622 0.006 . 1 . . . A 123 ILE QD1 . 18346 1 1437 . 1 1 123 123 ILE CA C 13 57.407 0.16 . 1 . . . A 123 ILE CA . 18346 1 1438 . 1 1 123 123 ILE CB C 13 38.308 0.16 . 1 . . . A 123 ILE CB . 18346 1 1439 . 1 1 123 123 ILE CG1 C 13 26.982 0.16 . 1 . . . A 123 ILE CG1 . 18346 1 1440 . 1 1 123 123 ILE CG2 C 13 17.826 0.16 . 1 . . . A 123 ILE CG2 . 18346 1 1441 . 1 1 123 123 ILE CD1 C 13 11.977 0.16 . 1 . . . A 123 ILE CD1 . 18346 1 1442 . 1 1 123 123 ILE N N 15 125.688 0.13 . 1 . . . A 123 ILE N . 18346 1 1443 . 1 1 124 124 ASP H H 1 8.478 0.006 . 1 . . . A 124 ASP H . 18346 1 1444 . 1 1 124 124 ASP HA H 1 4.981 0.006 . 1 . . . A 124 ASP HA . 18346 1 1445 . 1 1 124 124 ASP HB2 H 1 2.487 0.006 . 2 . . . A 124 ASP HB2 . 18346 1 1446 . 1 1 124 124 ASP HB3 H 1 2.648 0.006 . 2 . . . A 124 ASP HB3 . 18346 1 1447 . 1 1 124 124 ASP CA C 13 54.125 0.16 . 1 . . . A 124 ASP CA . 18346 1 1448 . 1 1 124 124 ASP CB C 13 43.230 0.16 . 1 . . . A 124 ASP CB . 18346 1 1449 . 1 1 124 124 ASP N N 15 126.406 0.13 . 1 . . . A 124 ASP N . 18346 1 1450 . 1 1 125 125 PHE H H 1 7.887 0.006 . 1 . . . A 125 PHE H . 18346 1 1451 . 1 1 125 125 PHE HA H 1 5.054 0.006 . 1 . . . A 125 PHE HA . 18346 1 1452 . 1 1 125 125 PHE HB2 H 1 3.083 0.006 . 2 . . . A 125 PHE HB2 . 18346 1 1453 . 1 1 125 125 PHE HB3 H 1 2.651 0.006 . 2 . . . A 125 PHE HB3 . 18346 1 1454 . 1 1 125 125 PHE HD1 H 1 6.683 0.006 . 3 . . . A 125 PHE QD . 18346 1 1455 . 1 1 125 125 PHE HD2 H 1 6.683 0.006 . 3 . . . A 125 PHE QD . 18346 1 1456 . 1 1 125 125 PHE HE1 H 1 6.841 0.006 . 3 . . . A 125 PHE QE . 18346 1 1457 . 1 1 125 125 PHE HE2 H 1 6.841 0.006 . 3 . . . A 125 PHE QE . 18346 1 1458 . 1 1 125 125 PHE HZ H 1 7.135 0.006 . 1 . . . A 125 PHE HZ . 18346 1 1459 . 1 1 125 125 PHE CA C 13 55.698 0.16 . 1 . . . A 125 PHE CA . 18346 1 1460 . 1 1 125 125 PHE CB C 13 42.598 0.16 . 1 . . . A 125 PHE CB . 18346 1 1461 . 1 1 125 125 PHE CD2 C 13 133.008 0.16 . 3 . . . A 125 PHE CD2 . 18346 1 1462 . 1 1 125 125 PHE CE2 C 13 131.324 0.16 . 3 . . . A 125 PHE CE2 . 18346 1 1463 . 1 1 125 125 PHE CZ C 13 129.734 0.16 . 1 . . . A 125 PHE CZ . 18346 1 1464 . 1 1 125 125 PHE N N 15 114.803 0.13 . 1 . . . A 125 PHE N . 18346 1 1465 . 1 1 126 126 GLU H H 1 9.213 0.006 . 1 . . . A 126 GLU H . 18346 1 1466 . 1 1 126 126 GLU HA H 1 4.607 0.006 . 1 . . . A 126 GLU HA . 18346 1 1467 . 1 1 126 126 GLU HB2 H 1 1.744 0.006 . 2 . . . A 126 GLU HB2 . 18346 1 1468 . 1 1 126 126 GLU HB3 H 1 2.059 0.006 . 2 . . . A 126 GLU HB3 . 18346 1 1469 . 1 1 126 126 GLU HG2 H 1 2.166 0.006 . 2 . . . A 126 GLU QG . 18346 1 1470 . 1 1 126 126 GLU HG3 H 1 2.166 0.006 . 2 . . . A 126 GLU QG . 18346 1 1471 . 1 1 126 126 GLU CA C 13 54.591 0.16 . 1 . . . A 126 GLU CA . 18346 1 1472 . 1 1 126 126 GLU CB C 13 33.121 0.16 . 1 . . . A 126 GLU CB . 18346 1 1473 . 1 1 126 126 GLU CG C 13 36.619 0.16 . 1 . . . A 126 GLU CG . 18346 1 1474 . 1 1 126 126 GLU N N 15 118.039 0.13 . 1 . . . A 126 GLU N . 18346 1 1475 . 1 1 127 127 ARG H H 1 8.413 0.006 . 1 . . . A 127 ARG H . 18346 1 1476 . 1 1 127 127 ARG HA H 1 4.955 0.006 . 1 . . . A 127 ARG HA . 18346 1 1477 . 1 1 127 127 ARG HB2 H 1 2.139 0.006 . 2 . . . A 127 ARG HB2 . 18346 1 1478 . 1 1 127 127 ARG HB3 H 1 1.611 0.006 . 2 . . . A 127 ARG HB3 . 18346 1 1479 . 1 1 127 127 ARG HG2 H 1 1.696 0.006 . 2 . . . A 127 ARG QG . 18346 1 1480 . 1 1 127 127 ARG HG3 H 1 1.696 0.006 . 2 . . . A 127 ARG QG . 18346 1 1481 . 1 1 127 127 ARG HD2 H 1 3.161 0.006 . 2 . . . A 127 ARG HD2 . 18346 1 1482 . 1 1 127 127 ARG HD3 H 1 3.331 0.006 . 2 . . . A 127 ARG HD3 . 18346 1 1483 . 1 1 127 127 ARG HE H 1 7.566 0.006 . 1 . . . A 127 ARG HE . 18346 1 1484 . 1 1 127 127 ARG CA C 13 55.330 0.16 . 1 . . . A 127 ARG CA . 18346 1 1485 . 1 1 127 127 ARG CB C 13 34.180 0.16 . 1 . . . A 127 ARG CB . 18346 1 1486 . 1 1 127 127 ARG CG C 13 27.336 0.16 . 1 . . . A 127 ARG CG . 18346 1 1487 . 1 1 127 127 ARG CD C 13 44.825 0.16 . 1 . . . A 127 ARG CD . 18346 1 1488 . 1 1 127 127 ARG N N 15 119.397 0.13 . 1 . . . A 127 ARG N . 18346 1 1489 . 1 1 127 127 ARG NE N 15 85.797 0.13 . 1 . . . A 127 ARG NE . 18346 1 1490 . 1 1 128 128 GLU H H 1 7.416 0.006 . 1 . . . A 128 GLU H . 18346 1 1491 . 1 1 128 128 GLU HA H 1 3.993 0.006 . 1 . . . A 128 GLU HA . 18346 1 1492 . 1 1 128 128 GLU HB2 H 1 1.826 0.006 . 2 . . . A 128 GLU QB . 18346 1 1493 . 1 1 128 128 GLU HB3 H 1 1.826 0.006 . 2 . . . A 128 GLU QB . 18346 1 1494 . 1 1 128 128 GLU HG2 H 1 2.084 0.006 . 2 . . . A 128 GLU HG2 . 18346 1 1495 . 1 1 128 128 GLU HG3 H 1 2.144 0.006 . 2 . . . A 128 GLU HG3 . 18346 1 1496 . 1 1 128 128 GLU CA C 13 58.052 0.16 . 1 . . . A 128 GLU CA . 18346 1 1497 . 1 1 128 128 GLU CB C 13 32.509 0.16 . 1 . . . A 128 GLU CB . 18346 1 1498 . 1 1 128 128 GLU CG C 13 36.958 0.16 . 1 . . . A 128 GLU CG . 18346 1 1499 . 1 1 128 128 GLU N N 15 123.092 0.13 . 1 . . . A 128 GLU N . 18346 1 stop_ save_