data_15298 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15298 _Entry.Title ; Beta-synuclein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-06-11 _Entry.Accession_date 2007-06-11 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'NMR backbone assignment of the intrinsically unfolded protein beta-synuclein' _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 Carlos Bertoncini . W. . 15298 2 Rodolfo Rasia . M. . 15298 3 Andres Binolfi . . . 15298 4 Markus Zweckstetter . . . 15298 5 Christian Griesinger . . . 15298 6 Claudio Fernandez . O. . 15298 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15298 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 383 15298 '15N chemical shifts' 124 15298 '1H chemical shifts' 246 15298 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2008-07-03 2007-06-11 update BMRB 'complete entry citation' 15298 1 . . 2007-08-08 2007-06-11 original author 'original release' 15298 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15298 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17681539 _Citation.Full_citation . _Citation.Title ; Structural characterization of the intrinsically unfolded protein beta-synuclein, a natural negative regulator of alpha-Synuclein aggregation ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 372 _Citation.Journal_issue 3 _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 708 _Citation.Page_last 722 _Citation.Year 2007 _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 Carlos Bertoncini . W. . 15298 1 2 Rodolfo Rasia . M. . 15298 1 3 Gonzalo Lamberto . R. . 15298 1 4 Andres Binolfi . . . 15298 1 5 Markus Zweckstetter . . . 15298 1 6 Christian Griesinger . . . 15298 1 7 Claudio Fernandez . O. . 15298 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Amyloid 15298 1 'intrinsically unfolded' 15298 1 NMR 15298 1 'protein aggregation' 15298 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15298 _Assembly.ID 1 _Assembly.Name beta-synuclein _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 14288 _Assembly.Enzyme_commission_number . _Assembly.Details Protein _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 'polypeptide chain' 1 $beta-synuclein A . yes native no no . . . 15298 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_beta-synuclein _Entity.Sf_category entity _Entity.Sf_framecode beta-synuclein _Entity.Entry_ID 15298 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name beta-synuclein _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MDVFMKGLSMAKEGVVAAAE KTKQGVTEAAEKTKEGVLYV GSKTREGVVQGVASVAEKTK EQASHLGGAVFSGAGNIAAA TGLVKREEFPTDLKPEEVAQ EAAEEPLIEPLMEPEGESYE DPPQEEYQEYEPEA ; _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 134 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16304 . beta-synuclein . . . . . 100.00 134 100.00 100.00 8.49e-86 . . . . 15298 1 2 no DBJ BAA04610 . "phosphoneuroprotein 14 [Rattus sp.]" . . . . . 100.00 137 97.76 99.25 3.40e-83 . . . . 15298 1 3 no DBJ BAG73791 . "synuclein, beta [synthetic construct]" . . . . . 100.00 134 100.00 100.00 8.49e-86 . . . . 15298 1 4 no EMBL CAG33308 . "SNCB [Homo sapiens]" . . . . . 100.00 134 100.00 100.00 8.49e-86 . . . . 15298 1 5 no GB AAB28945 . "phosphoneuroprotein 14, PNP 14 [cattle, brain, Peptide, 134 aa]" . . . . . 100.00 134 97.01 99.25 1.71e-82 . . . . 15298 1 6 no GB AAB30860 . "beta-synuclein [Homo sapiens]" . . . . . 100.00 134 100.00 100.00 8.49e-86 . . . . 15298 1 7 no GB AAC80286 . "beta-synuclein [Homo sapiens]" . . . . . 100.00 134 100.00 100.00 8.49e-86 . . . . 15298 1 8 no GB AAH02902 . "Synuclein, beta [Homo sapiens]" . . . . . 100.00 134 100.00 100.00 8.49e-86 . . . . 15298 1 9 no GB AAH19409 . "Synuclein, beta [Mus musculus]" . . . . . 100.00 133 97.01 97.76 7.47e-81 . . . . 15298 1 10 no PIR I56498 . "phosphoneuroprotein 14 - rat" . . . . . 100.00 137 97.76 99.25 3.40e-83 . . . . 15298 1 11 no REF NP_001001502 . "beta-synuclein [Homo sapiens]" . . . . . 100.00 134 100.00 100.00 8.49e-86 . . . . 15298 1 12 no REF NP_001068828 . "beta-synuclein [Bos taurus]" . . . . . 100.00 134 97.76 99.25 4.14e-83 . . . . 15298 1 13 no REF NP_001106164 . "beta-synuclein [Sus scrofa]" . . . . . 100.00 133 97.01 98.51 4.37e-81 . . . . 15298 1 14 no REF NP_001248469 . "beta-synuclein [Macaca mulatta]" . . . . . 100.00 134 100.00 100.00 8.49e-86 . . . . 15298 1 15 no REF NP_003076 . "beta-synuclein [Homo sapiens]" . . . . . 100.00 134 100.00 100.00 8.49e-86 . . . . 15298 1 16 no SP P33567 . "RecName: Full=Beta-synuclein; AltName: Full=14 kDa brain-specific protein; AltName: Full=Phosphoneuroprotein 14; Short=PNP 14" . . . . . 100.00 134 97.01 99.25 1.71e-82 . . . . 15298 1 17 no SP Q16143 . "RecName: Full=Beta-synuclein" . . . . . 100.00 134 100.00 100.00 8.49e-86 . . . . 15298 1 18 no SP Q63754 . "RecName: Full=Beta-synuclein; AltName: Full=Phosphoneuroprotein 14; Short=PNP 14" . . . . . 100.00 137 97.76 99.25 3.40e-83 . . . . 15298 1 19 no SP Q91ZZ3 . "RecName: Full=Beta-synuclein" . . . . . 100.00 133 97.01 97.76 7.47e-81 . . . . 15298 1 20 no TPG DAA27687 . "TPA: synuclein, beta [Bos taurus]" . . . . . 100.00 134 97.01 99.25 2.74e-82 . . . . 15298 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 15298 1 2 . ASP . 15298 1 3 . VAL . 15298 1 4 . PHE . 15298 1 5 . MET . 15298 1 6 . LYS . 15298 1 7 . GLY . 15298 1 8 . LEU . 15298 1 9 . SER . 15298 1 10 . MET . 15298 1 11 . ALA . 15298 1 12 . LYS . 15298 1 13 . GLU . 15298 1 14 . GLY . 15298 1 15 . VAL . 15298 1 16 . VAL . 15298 1 17 . ALA . 15298 1 18 . ALA . 15298 1 19 . ALA . 15298 1 20 . GLU . 15298 1 21 . LYS . 15298 1 22 . THR . 15298 1 23 . LYS . 15298 1 24 . GLN . 15298 1 25 . GLY . 15298 1 26 . VAL . 15298 1 27 . THR . 15298 1 28 . GLU . 15298 1 29 . ALA . 15298 1 30 . ALA . 15298 1 31 . GLU . 15298 1 32 . LYS . 15298 1 33 . THR . 15298 1 34 . LYS . 15298 1 35 . GLU . 15298 1 36 . GLY . 15298 1 37 . VAL . 15298 1 38 . LEU . 15298 1 39 . TYR . 15298 1 40 . VAL . 15298 1 41 . GLY . 15298 1 42 . SER . 15298 1 43 . LYS . 15298 1 44 . THR . 15298 1 45 . ARG . 15298 1 46 . GLU . 15298 1 47 . GLY . 15298 1 48 . VAL . 15298 1 49 . VAL . 15298 1 50 . GLN . 15298 1 51 . GLY . 15298 1 52 . VAL . 15298 1 53 . ALA . 15298 1 54 . SER . 15298 1 55 . VAL . 15298 1 56 . ALA . 15298 1 57 . GLU . 15298 1 58 . LYS . 15298 1 59 . THR . 15298 1 60 . LYS . 15298 1 61 . GLU . 15298 1 62 . GLN . 15298 1 63 . ALA . 15298 1 64 . SER . 15298 1 65 . HIS . 15298 1 66 . LEU . 15298 1 67 . GLY . 15298 1 68 . GLY . 15298 1 69 . ALA . 15298 1 70 . VAL . 15298 1 71 . PHE . 15298 1 72 . SER . 15298 1 73 . GLY . 15298 1 74 . ALA . 15298 1 75 . GLY . 15298 1 76 . ASN . 15298 1 77 . ILE . 15298 1 78 . ALA . 15298 1 79 . ALA . 15298 1 80 . ALA . 15298 1 81 . THR . 15298 1 82 . GLY . 15298 1 83 . LEU . 15298 1 84 . VAL . 15298 1 85 . LYS . 15298 1 86 . ARG . 15298 1 87 . GLU . 15298 1 88 . GLU . 15298 1 89 . PHE . 15298 1 90 . PRO . 15298 1 91 . THR . 15298 1 92 . ASP . 15298 1 93 . LEU . 15298 1 94 . LYS . 15298 1 95 . PRO . 15298 1 96 . GLU . 15298 1 97 . GLU . 15298 1 98 . VAL . 15298 1 99 . ALA . 15298 1 100 . GLN . 15298 1 101 . GLU . 15298 1 102 . ALA . 15298 1 103 . ALA . 15298 1 104 . GLU . 15298 1 105 . GLU . 15298 1 106 . PRO . 15298 1 107 . LEU . 15298 1 108 . ILE . 15298 1 109 . GLU . 15298 1 110 . PRO . 15298 1 111 . LEU . 15298 1 112 . MET . 15298 1 113 . GLU . 15298 1 114 . PRO . 15298 1 115 . GLU . 15298 1 116 . GLY . 15298 1 117 . GLU . 15298 1 118 . SER . 15298 1 119 . TYR . 15298 1 120 . GLU . 15298 1 121 . ASP . 15298 1 122 . PRO . 15298 1 123 . PRO . 15298 1 124 . GLN . 15298 1 125 . GLU . 15298 1 126 . GLU . 15298 1 127 . TYR . 15298 1 128 . GLN . 15298 1 129 . GLU . 15298 1 130 . TYR . 15298 1 131 . GLU . 15298 1 132 . PRO . 15298 1 133 . GLU . 15298 1 134 . ALA . 15298 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 15298 1 . ASP 2 2 15298 1 . VAL 3 3 15298 1 . PHE 4 4 15298 1 . MET 5 5 15298 1 . LYS 6 6 15298 1 . GLY 7 7 15298 1 . LEU 8 8 15298 1 . SER 9 9 15298 1 . MET 10 10 15298 1 . ALA 11 11 15298 1 . LYS 12 12 15298 1 . GLU 13 13 15298 1 . GLY 14 14 15298 1 . VAL 15 15 15298 1 . VAL 16 16 15298 1 . ALA 17 17 15298 1 . ALA 18 18 15298 1 . ALA 19 19 15298 1 . GLU 20 20 15298 1 . LYS 21 21 15298 1 . THR 22 22 15298 1 . LYS 23 23 15298 1 . GLN 24 24 15298 1 . GLY 25 25 15298 1 . VAL 26 26 15298 1 . THR 27 27 15298 1 . GLU 28 28 15298 1 . ALA 29 29 15298 1 . ALA 30 30 15298 1 . GLU 31 31 15298 1 . LYS 32 32 15298 1 . THR 33 33 15298 1 . LYS 34 34 15298 1 . GLU 35 35 15298 1 . GLY 36 36 15298 1 . VAL 37 37 15298 1 . LEU 38 38 15298 1 . TYR 39 39 15298 1 . VAL 40 40 15298 1 . GLY 41 41 15298 1 . SER 42 42 15298 1 . LYS 43 43 15298 1 . THR 44 44 15298 1 . ARG 45 45 15298 1 . GLU 46 46 15298 1 . GLY 47 47 15298 1 . VAL 48 48 15298 1 . VAL 49 49 15298 1 . GLN 50 50 15298 1 . GLY 51 51 15298 1 . VAL 52 52 15298 1 . ALA 53 53 15298 1 . SER 54 54 15298 1 . VAL 55 55 15298 1 . ALA 56 56 15298 1 . GLU 57 57 15298 1 . LYS 58 58 15298 1 . THR 59 59 15298 1 . LYS 60 60 15298 1 . GLU 61 61 15298 1 . GLN 62 62 15298 1 . ALA 63 63 15298 1 . SER 64 64 15298 1 . HIS 65 65 15298 1 . LEU 66 66 15298 1 . GLY 67 67 15298 1 . GLY 68 68 15298 1 . ALA 69 69 15298 1 . VAL 70 70 15298 1 . PHE 71 71 15298 1 . SER 72 72 15298 1 . GLY 73 73 15298 1 . ALA 74 74 15298 1 . GLY 75 75 15298 1 . ASN 76 76 15298 1 . ILE 77 77 15298 1 . ALA 78 78 15298 1 . ALA 79 79 15298 1 . ALA 80 80 15298 1 . THR 81 81 15298 1 . GLY 82 82 15298 1 . LEU 83 83 15298 1 . VAL 84 84 15298 1 . LYS 85 85 15298 1 . ARG 86 86 15298 1 . GLU 87 87 15298 1 . GLU 88 88 15298 1 . PHE 89 89 15298 1 . PRO 90 90 15298 1 . THR 91 91 15298 1 . ASP 92 92 15298 1 . LEU 93 93 15298 1 . LYS 94 94 15298 1 . PRO 95 95 15298 1 . GLU 96 96 15298 1 . GLU 97 97 15298 1 . VAL 98 98 15298 1 . ALA 99 99 15298 1 . GLN 100 100 15298 1 . GLU 101 101 15298 1 . ALA 102 102 15298 1 . ALA 103 103 15298 1 . GLU 104 104 15298 1 . GLU 105 105 15298 1 . PRO 106 106 15298 1 . LEU 107 107 15298 1 . ILE 108 108 15298 1 . GLU 109 109 15298 1 . PRO 110 110 15298 1 . LEU 111 111 15298 1 . MET 112 112 15298 1 . GLU 113 113 15298 1 . PRO 114 114 15298 1 . GLU 115 115 15298 1 . GLY 116 116 15298 1 . GLU 117 117 15298 1 . SER 118 118 15298 1 . TYR 119 119 15298 1 . GLU 120 120 15298 1 . ASP 121 121 15298 1 . PRO 122 122 15298 1 . PRO 123 123 15298 1 . GLN 124 124 15298 1 . GLU 125 125 15298 1 . GLU 126 126 15298 1 . TYR 127 127 15298 1 . GLN 128 128 15298 1 . GLU 129 129 15298 1 . TYR 130 130 15298 1 . GLU 131 131 15298 1 . PRO 132 132 15298 1 . GLU 133 133 15298 1 . ALA 134 134 15298 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 15298 _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 $beta-synuclein . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 15298 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 15298 _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 $beta-synuclein . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . PT7-7 . . . . . . 15298 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15298 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '400 uM 15N-13C labeled beta-synuclein in MES buffer pH 6.5, 100 mM NaCl' _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 beta-synuclein '[U-99% 13C; U-99% 15N]' . . 1 $beta-synuclein . . 400 . . uM . . . . 15298 1 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15298 1 3 MES 'natural abundance' . . . . . . 20 . . mM . . . . 15298 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 15298 _Sample_condition_list.ID 1 _Sample_condition_list.Details '400 uM 15N-13C labeled beta-synuclein in MES buffer pH 6.5, 100 mM NaCl' 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' 0.1 . M 15298 1 pH 6.5 . pH 15298 1 pressure 1 . atm 15298 1 temperature 288 . K 15298 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15298 _Software.ID 1 _Software.Name SPARKY _Software.Version 3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 15298 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15298 1 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 15298 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details Cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15298 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details Cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 15298 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 Cryoprobe . . 15298 1 2 spectrometer_2 Bruker Avance . 900 Cryoprobe . . 15298 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 15298 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15298 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15298 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15298 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15298 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15298 1 6 '3D HNN' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15298 1 7 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15298 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 15298 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 'Indirect chemical shift reference to 1H, employing DSS as standard' loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 15298 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15298 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15298 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 15298 _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 2 '3D HNCACB' . . . 15298 1 3 '3D CBCA(CO)NH' . . . 15298 1 4 '3D HNCO' . . . 15298 1 5 '3D HN(CO)CA' . . . 15298 1 6 '3D HNN' . . . 15298 1 7 '3D HNHA' . . . 15298 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $SPARKY . . 15298 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 ASP C C 13 175.94 0.05 . 1 . . . . 2 ASP C . 15298 1 2 . 1 1 2 2 ASP CA C 13 54.17 0.05 . 1 . . . . 2 ASP CA . 15298 1 3 . 1 1 2 2 ASP CB C 13 41.52 0.05 . 1 . . . . 2 ASP CB . 15298 1 4 . 1 1 3 3 VAL H H 1 8.1 0.05 . 1 . . . . 3 VAL H . 15298 1 5 . 1 1 3 3 VAL HA H 1 3.81 0.05 . 1 . . . . 3 VAL HA . 15298 1 6 . 1 1 3 3 VAL C C 13 176 0.05 . 1 . . . . 3 VAL C . 15298 1 7 . 1 1 3 3 VAL CA C 13 62.55 0.05 . 1 . . . . 3 VAL CA . 15298 1 8 . 1 1 3 3 VAL CB C 13 32.66 0.05 . 1 . . . . 3 VAL CB . 15298 1 9 . 1 1 3 3 VAL N N 15 120.31 0.05 . 1 . . . . 3 VAL N . 15298 1 10 . 1 1 4 4 PHE H H 1 8.18 0.05 . 1 . . . . 4 PHE H . 15298 1 11 . 1 1 4 4 PHE HA H 1 4.4 0.05 . 1 . . . . 4 PHE HA . 15298 1 12 . 1 1 4 4 PHE C C 13 175.92 0.05 . 1 . . . . 4 PHE C . 15298 1 13 . 1 1 4 4 PHE CA C 13 57.93 0.05 . 1 . . . . 4 PHE CA . 15298 1 14 . 1 1 4 4 PHE CB C 13 39.26 0.05 . 1 . . . . 4 PHE CB . 15298 1 15 . 1 1 4 4 PHE N N 15 123.46 0.05 . 1 . . . . 4 PHE N . 15298 1 16 . 1 1 5 5 MET H H 1 8.06 0.05 . 1 . . . . 5 MET H . 15298 1 17 . 1 1 5 5 MET HA H 1 4.18 0.05 . 1 . . . . 5 MET HA . 15298 1 18 . 1 1 5 5 MET C C 13 176.01 0.05 . 1 . . . . 5 MET C . 15298 1 19 . 1 1 5 5 MET CA C 13 55.25 0.05 . 1 . . . . 5 MET CA . 15298 1 20 . 1 1 5 5 MET CB C 13 32.61 0.05 . 1 . . . . 5 MET CB . 15298 1 21 . 1 1 5 5 MET N N 15 122.25 0.05 . 1 . . . . 5 MET N . 15298 1 22 . 1 1 6 6 LYS H H 1 8.11 0.05 . 1 . . . . 6 LYS H . 15298 1 23 . 1 1 6 6 LYS HA H 1 4.01 0.05 . 1 . . . . 6 LYS HA . 15298 1 24 . 1 1 6 6 LYS C C 13 177.27 0.05 . 1 . . . . 6 LYS C . 15298 1 25 . 1 1 6 6 LYS CA C 13 56.72 0.05 . 1 . . . . 6 LYS CA . 15298 1 26 . 1 1 6 6 LYS CB C 13 32.82 0.05 . 1 . . . . 6 LYS CB . 15298 1 27 . 1 1 6 6 LYS N N 15 122.56 0.05 . 1 . . . . 6 LYS N . 15298 1 28 . 1 1 7 7 GLY H H 1 8.24 0.05 . 1 . . . . 7 GLY H . 15298 1 29 . 1 1 7 7 GLY HA2 H 1 3.74 0.05 . 2 . . . . 7 GLY HA2 . 15298 1 30 . 1 1 7 7 GLY C C 13 173.99 0.05 . 1 . . . . 7 GLY C . 15298 1 31 . 1 1 7 7 GLY CA C 13 45.26 0.05 . 1 . . . . 7 GLY CA . 15298 1 32 . 1 1 7 7 GLY N N 15 109.69 0.05 . 1 . . . . 7 GLY N . 15298 1 33 . 1 1 8 8 LEU H H 1 7.9 0.05 . 1 . . . . 8 LEU H . 15298 1 34 . 1 1 8 8 LEU HA H 1 4.15 0.05 . 1 . . . . 8 LEU HA . 15298 1 35 . 1 1 8 8 LEU C C 13 177.75 0.05 . 1 . . . . 8 LEU C . 15298 1 36 . 1 1 8 8 LEU CA C 13 55.15 0.05 . 1 . . . . 8 LEU CA . 15298 1 37 . 1 1 8 8 LEU CB C 13 42.46 0.05 . 1 . . . . 8 LEU CB . 15298 1 38 . 1 1 8 8 LEU N N 15 121.5 0.05 . 1 . . . . 8 LEU N . 15298 1 39 . 1 1 9 9 SER H H 1 8.17 0.05 . 1 . . . . 9 SER H . 15298 1 40 . 1 1 9 9 SER HA H 1 4.23 0.05 . 1 . . . . 9 SER HA . 15298 1 41 . 1 1 9 9 SER C C 13 174.75 0.05 . 1 . . . . 9 SER C . 15298 1 42 . 1 1 9 9 SER CA C 13 58.35 0.05 . 1 . . . . 9 SER CA . 15298 1 43 . 1 1 9 9 SER CB C 13 63.65 0.05 . 1 . . . . 9 SER CB . 15298 1 44 . 1 1 9 9 SER N N 15 116.27 0.05 . 1 . . . . 9 SER N . 15298 1 45 . 1 1 10 10 MET H H 1 8.22 0.05 . 1 . . . . 10 MET H . 15298 1 46 . 1 1 10 10 MET HA H 1 4.3 0.05 . 1 . . . . 10 MET HA . 15298 1 47 . 1 1 10 10 MET C C 13 176.14 0.05 . 1 . . . . 10 MET C . 15298 1 48 . 1 1 10 10 MET CA C 13 55.26 0.05 . 1 . . . . 10 MET CA . 15298 1 49 . 1 1 10 10 MET CB C 13 32.67 0.05 . 1 . . . . 10 MET CB . 15298 1 50 . 1 1 10 10 MET N N 15 122.36 0.05 . 1 . . . . 10 MET N . 15298 1 51 . 1 1 11 11 ALA H H 1 8.09 0.05 . 1 . . . . 11 ALA H . 15298 1 52 . 1 1 11 11 ALA HA H 1 4.08 0.05 . 1 . . . . 11 ALA HA . 15298 1 53 . 1 1 11 11 ALA C C 13 177.9 0.05 . 1 . . . . 11 ALA C . 15298 1 54 . 1 1 11 11 ALA CA C 13 52.49 0.05 . 1 . . . . 11 ALA CA . 15298 1 55 . 1 1 11 11 ALA CB C 13 19.07 0.05 . 1 . . . . 11 ALA CB . 15298 1 56 . 1 1 11 11 ALA N N 15 125.07 0.05 . 1 . . . . 11 ALA N . 15298 1 57 . 1 1 12 12 LYS H H 1 8.18 0.05 . 1 . . . . 12 LYS H . 15298 1 58 . 1 1 12 12 LYS HA H 1 4.06 0.05 . 1 . . . . 12 LYS HA . 15298 1 59 . 1 1 12 12 LYS C C 13 176.81 0.05 . 1 . . . . 12 LYS C . 15298 1 60 . 1 1 12 12 LYS CA C 13 56.15 0.05 . 1 . . . . 12 LYS CA . 15298 1 61 . 1 1 12 12 LYS CB C 13 32.94 0.05 . 1 . . . . 12 LYS CB . 15298 1 62 . 1 1 12 12 LYS N N 15 120.89 0.05 . 1 . . . . 12 LYS N . 15298 1 63 . 1 1 13 13 GLU H H 1 8.31 0.05 . 1 . . . . 13 GLU H . 15298 1 64 . 1 1 13 13 GLU HA H 1 4.05 0.05 . 1 . . . . 13 GLU HA . 15298 1 65 . 1 1 13 13 GLU C C 13 177.11 0.05 . 1 . . . . 13 GLU C . 15298 1 66 . 1 1 13 13 GLU CA C 13 56.66 0.05 . 1 . . . . 13 GLU CA . 15298 1 67 . 1 1 13 13 GLU CB C 13 30.05 0.05 . 1 . . . . 13 GLU CB . 15298 1 68 . 1 1 13 13 GLU N N 15 121.8 0.05 . 1 . . . . 13 GLU N . 15298 1 69 . 1 1 14 14 GLY H H 1 8.29 0.05 . 1 . . . . 14 GLY H . 15298 1 70 . 1 1 14 14 GLY HA2 H 1 3.74 0.05 . 2 . . . . 14 GLY HA2 . 15298 1 71 . 1 1 14 14 GLY C C 13 174.12 0.05 . 1 . . . . 14 GLY C . 15298 1 72 . 1 1 14 14 GLY CA C 13 45.23 0.05 . 1 . . . . 14 GLY CA . 15298 1 73 . 1 1 14 14 GLY N N 15 109.93 0.05 . 1 . . . . 14 GLY N . 15298 1 74 . 1 1 15 15 VAL H H 1 7.8 0.05 . 1 . . . . 15 VAL H . 15298 1 75 . 1 1 15 15 VAL HA H 1 3.88 0.05 . 1 . . . . 15 VAL HA . 15298 1 76 . 1 1 15 15 VAL C C 13 176.58 0.05 . 1 . . . . 15 VAL C . 15298 1 77 . 1 1 15 15 VAL CA C 13 62.54 0.05 . 1 . . . . 15 VAL CA . 15298 1 78 . 1 1 15 15 VAL CB C 13 32.66 0.05 . 1 . . . . 15 VAL CB . 15298 1 79 . 1 1 15 15 VAL N N 15 119.99 0.05 . 1 . . . . 15 VAL N . 15298 1 80 . 1 1 16 16 VAL H H 1 8.12 0.05 . 1 . . . . 16 VAL H . 15298 1 81 . 1 1 16 16 VAL HA H 1 3.86 0.05 . 1 . . . . 16 VAL HA . 15298 1 82 . 1 1 16 16 VAL C C 13 176.05 0.05 . 1 . . . . 16 VAL C . 15298 1 83 . 1 1 16 16 VAL CA C 13 62.35 0.05 . 1 . . . . 16 VAL CA . 15298 1 84 . 1 1 16 16 VAL CB C 13 32.66 0.05 . 1 . . . . 16 VAL CB . 15298 1 85 . 1 1 16 16 VAL N N 15 125.12 0.05 . 1 . . . . 16 VAL N . 15298 1 86 . 1 1 17 17 ALA H H 1 8.28 0.05 . 1 . . . . 17 ALA H . 15298 1 87 . 1 1 17 17 ALA HA H 1 4.07 0.05 . 1 . . . . 17 ALA HA . 15298 1 88 . 1 1 17 17 ALA C C 13 177.78 0.05 . 1 . . . . 17 ALA C . 15298 1 89 . 1 1 17 17 ALA CA C 13 52.47 0.05 . 1 . . . . 17 ALA CA . 15298 1 90 . 1 1 17 17 ALA CB C 13 19.04 0.05 . 1 . . . . 17 ALA CB . 15298 1 91 . 1 1 17 17 ALA N N 15 128.29 0.05 . 1 . . . . 17 ALA N . 15298 1 92 . 1 1 18 18 ALA H H 1 8.15 0.05 . 1 . . . . 18 ALA H . 15298 1 93 . 1 1 18 18 ALA HA H 1 4.03 0.05 . 1 . . . . 18 ALA HA . 15298 1 94 . 1 1 18 18 ALA C C 13 178.01 0.05 . 1 . . . . 18 ALA C . 15298 1 95 . 1 1 18 18 ALA CA C 13 52.56 0.05 . 1 . . . . 18 ALA CA . 15298 1 96 . 1 1 18 18 ALA CB C 13 18.97 0.05 . 1 . . . . 18 ALA CB . 15298 1 97 . 1 1 18 18 ALA N N 15 123.53 0.05 . 1 . . . . 18 ALA N . 15298 1 98 . 1 1 19 19 ALA H H 1 8.11 0.05 . 1 . . . . 19 ALA H . 15298 1 99 . 1 1 19 19 ALA HA H 1 4.04 0.05 . 1 . . . . 19 ALA HA . 15298 1 100 . 1 1 19 19 ALA C C 13 178.33 0.05 . 1 . . . . 19 ALA C . 15298 1 101 . 1 1 19 19 ALA CA C 13 52.73 0.05 . 1 . . . . 19 ALA CA . 15298 1 102 . 1 1 19 19 ALA CB C 13 19.05 0.05 . 1 . . . . 19 ALA CB . 15298 1 103 . 1 1 19 19 ALA N N 15 122.97 0.05 . 1 . . . . 19 ALA N . 15298 1 104 . 1 1 20 20 GLU H H 1 8.16 0.05 . 1 . . . . 20 GLU H . 15298 1 105 . 1 1 20 20 GLU HA H 1 4.02 0.05 . 1 . . . . 20 GLU HA . 15298 1 106 . 1 1 20 20 GLU C C 13 177.06 0.05 . 1 . . . . 20 GLU C . 15298 1 107 . 1 1 20 20 GLU CA C 13 56.65 0.05 . 1 . . . . 20 GLU CA . 15298 1 108 . 1 1 20 20 GLU CB C 13 30.09 0.05 . 1 . . . . 20 GLU CB . 15298 1 109 . 1 1 20 20 GLU N N 15 119.97 0.05 . 1 . . . . 20 GLU N . 15298 1 110 . 1 1 21 21 LYS H H 1 8.17 0.05 . 1 . . . . 21 LYS H . 15298 1 111 . 1 1 21 21 LYS HA H 1 4.12 0.05 . 1 . . . . 21 LYS HA . 15298 1 112 . 1 1 21 21 LYS C C 13 177.25 0.05 . 1 . . . . 21 LYS C . 15298 1 113 . 1 1 21 21 LYS CA C 13 56.6 0.05 . 1 . . . . 21 LYS CA . 15298 1 114 . 1 1 21 21 LYS CB C 13 32.76 0.05 . 1 . . . . 21 LYS CB . 15298 1 115 . 1 1 21 21 LYS N N 15 122.2 0.05 . 1 . . . . 21 LYS N . 15298 1 116 . 1 1 22 22 THR H H 1 7.96 0.05 . 1 . . . . 22 THR H . 15298 1 117 . 1 1 22 22 THR HA H 1 4.07 0.05 . 1 . . . . 22 THR HA . 15298 1 118 . 1 1 22 22 THR C C 13 174.78 0.05 . 1 . . . . 22 THR C . 15298 1 119 . 1 1 22 22 THR CA C 13 62.28 0.05 . 1 . . . . 22 THR CA . 15298 1 120 . 1 1 22 22 THR CB C 13 69.71 0.05 . 1 . . . . 22 THR CB . 15298 1 121 . 1 1 22 22 THR N N 15 115.14 0.05 . 1 . . . . 22 THR N . 15298 1 122 . 1 1 23 23 LYS H H 1 8.18 0.05 . 1 . . . . 23 LYS H . 15298 1 123 . 1 1 23 23 LYS HA H 1 4.4 0.05 . 1 . . . . 23 LYS HA . 15298 1 124 . 1 1 23 23 LYS C C 13 176.7 0.05 . 1 . . . . 23 LYS C . 15298 1 125 . 1 1 23 23 LYS CA C 13 56.51 0.05 . 1 . . . . 23 LYS CA . 15298 1 126 . 1 1 23 23 LYS CB C 13 32.78 0.05 . 1 . . . . 23 LYS CB . 15298 1 127 . 1 1 23 23 LYS N N 15 123.68 0.05 . 1 . . . . 23 LYS N . 15298 1 128 . 1 1 24 24 GLN H H 1 8.25 0.05 . 1 . . . . 24 GLN H . 15298 1 129 . 1 1 24 24 GLN HA H 1 4.08 0.05 . 1 . . . . 24 GLN HA . 15298 1 130 . 1 1 24 24 GLN C C 13 176.57 0.05 . 1 . . . . 24 GLN C . 15298 1 131 . 1 1 24 24 GLN CA C 13 56.06 0.05 . 1 . . . . 24 GLN CA . 15298 1 132 . 1 1 24 24 GLN CB C 13 29.45 0.05 . 1 . . . . 24 GLN CB . 15298 1 133 . 1 1 24 24 GLN N N 15 121.67 0.05 . 1 . . . . 24 GLN N . 15298 1 134 . 1 1 25 25 GLY H H 1 8.32 0.05 . 1 . . . . 25 GLY H . 15298 1 135 . 1 1 25 25 GLY HA2 H 1 3.76 0.05 . 2 . . . . 25 GLY HA2 . 15298 1 136 . 1 1 25 25 GLY C C 13 174.29 0.05 . 1 . . . . 25 GLY C . 15298 1 137 . 1 1 25 25 GLY CA C 13 45.25 0.05 . 1 . . . . 25 GLY CA . 15298 1 138 . 1 1 25 25 GLY N N 15 110.39 0.05 . 1 . . . . 25 GLY N . 15298 1 139 . 1 1 26 26 VAL H H 1 7.9 0.05 . 1 . . . . 26 VAL H . 15298 1 140 . 1 1 26 26 VAL HA H 1 3.97 0.05 . 1 . . . . 26 VAL HA . 15298 1 141 . 1 1 26 26 VAL C C 13 176.87 0.05 . 1 . . . . 26 VAL C . 15298 1 142 . 1 1 26 26 VAL CA C 13 62.44 0.05 . 1 . . . . 26 VAL CA . 15298 1 143 . 1 1 26 26 VAL CB C 13 32.71 0.05 . 1 . . . . 26 VAL CB . 15298 1 144 . 1 1 26 26 VAL N N 15 119.51 0.05 . 1 . . . . 26 VAL N . 15298 1 145 . 1 1 27 27 THR H H 1 8.15 0.05 . 1 . . . . 27 THR H . 15298 1 146 . 1 1 27 27 THR HA H 1 4.12 0.05 . 1 . . . . 27 THR HA . 15298 1 147 . 1 1 27 27 THR C C 13 174.72 0.05 . 1 . . . . 27 THR C . 15298 1 148 . 1 1 27 27 THR CA C 13 62.27 0.05 . 1 . . . . 27 THR CA . 15298 1 149 . 1 1 27 27 THR CB C 13 69.73 0.05 . 1 . . . . 27 THR CB . 15298 1 150 . 1 1 27 27 THR N N 15 118.48 0.05 . 1 . . . . 27 THR N . 15298 1 151 . 1 1 28 28 GLU H H 1 8.33 0.05 . 1 . . . . 28 GLU H . 15298 1 152 . 1 1 28 28 GLU HA H 1 4.06 0.05 . 1 . . . . 28 GLU HA . 15298 1 153 . 1 1 28 28 GLU C C 13 176.47 0.05 . 1 . . . . 28 GLU C . 15298 1 154 . 1 1 28 28 GLU CA C 13 56.64 0.05 . 1 . . . . 28 GLU CA . 15298 1 155 . 1 1 28 28 GLU CB C 13 30.27 0.05 . 1 . . . . 28 GLU CB . 15298 1 156 . 1 1 28 28 GLU N N 15 123.91 0.05 . 1 . . . . 28 GLU N . 15298 1 157 . 1 1 29 29 ALA H H 1 8.2 0.05 . 1 . . . . 29 ALA H . 15298 1 158 . 1 1 29 29 ALA HA H 1 4.04 0.05 . 1 . . . . 29 ALA HA . 15298 1 159 . 1 1 29 29 ALA C C 13 177.9 0.05 . 1 . . . . 29 ALA C . 15298 1 160 . 1 1 29 29 ALA CA C 13 52.66 0.05 . 1 . . . . 29 ALA CA . 15298 1 161 . 1 1 29 29 ALA CB C 13 18.98 0.05 . 1 . . . . 29 ALA CB . 15298 1 162 . 1 1 29 29 ALA N N 15 125 0.05 . 1 . . . . 29 ALA N . 15298 1 163 . 1 1 30 30 ALA H H 1 8.09 0.05 . 1 . . . . 30 ALA H . 15298 1 164 . 1 1 30 30 ALA HA H 1 4.05 0.05 . 1 . . . . 30 ALA HA . 15298 1 165 . 1 1 30 30 ALA C C 13 178.3 0.05 . 1 . . . . 30 ALA C . 15298 1 166 . 1 1 30 30 ALA CA C 13 52.68 0.05 . 1 . . . . 30 ALA CA . 15298 1 167 . 1 1 30 30 ALA CB C 13 19.02 0.05 . 1 . . . . 30 ALA CB . 15298 1 168 . 1 1 30 30 ALA N N 15 123.11 0.05 . 1 . . . . 30 ALA N . 15298 1 169 . 1 1 31 31 GLU H H 1 8.17 0.05 . 1 . . . . 31 GLU H . 15298 1 170 . 1 1 31 31 GLU HA H 1 4.02 0.05 . 1 . . . . 31 GLU HA . 15298 1 171 . 1 1 31 31 GLU C C 13 176.9 0.05 . 1 . . . . 31 GLU C . 15298 1 172 . 1 1 31 31 GLU CA C 13 56.58 0.05 . 1 . . . . 31 GLU CA . 15298 1 173 . 1 1 31 31 GLU CB C 13 30.22 0.05 . 1 . . . . 31 GLU CB . 15298 1 174 . 1 1 31 31 GLU N N 15 119.76 0.05 . 1 . . . . 31 GLU N . 15298 1 175 . 1 1 32 32 LYS H H 1 8.15 0.05 . 1 . . . . 32 LYS H . 15298 1 176 . 1 1 32 32 LYS HA H 1 4.15 0.05 . 1 . . . . 32 LYS HA . 15298 1 177 . 1 1 32 32 LYS C C 13 177.17 0.05 . 1 . . . . 32 LYS C . 15298 1 178 . 1 1 32 32 LYS CA C 13 56.35 0.05 . 1 . . . . 32 LYS CA . 15298 1 179 . 1 1 32 32 LYS CB C 13 32.89 0.05 . 1 . . . . 32 LYS CB . 15298 1 180 . 1 1 32 32 LYS N N 15 122.07 0.05 . 1 . . . . 32 LYS N . 15298 1 181 . 1 1 33 33 THR H H 1 8 0.05 . 1 . . . . 33 THR H . 15298 1 182 . 1 1 33 33 THR HA H 1 4.1 0.05 . 1 . . . . 33 THR HA . 15298 1 183 . 1 1 33 33 THR C C 13 174.87 0.05 . 1 . . . . 33 THR C . 15298 1 184 . 1 1 33 33 THR CA C 13 62.14 0.05 . 1 . . . . 33 THR CA . 15298 1 185 . 1 1 33 33 THR CB C 13 69.78 0.05 . 1 . . . . 33 THR CB . 15298 1 186 . 1 1 33 33 THR N N 15 115.27 0.05 . 1 . . . . 33 THR N . 15298 1 187 . 1 1 34 34 LYS H H 1 8.22 0.05 . 1 . . . . 34 LYS H . 15298 1 188 . 1 1 34 34 LYS HA H 1 4.06 0.05 . 1 . . . . 34 LYS HA . 15298 1 189 . 1 1 34 34 LYS C C 13 176.74 0.05 . 1 . . . . 34 LYS C . 15298 1 190 . 1 1 34 34 LYS CA C 13 56.52 0.05 . 1 . . . . 34 LYS CA . 15298 1 191 . 1 1 34 34 LYS CB C 13 32.8 0.05 . 1 . . . . 34 LYS CB . 15298 1 192 . 1 1 34 34 LYS N N 15 123.53 0.05 . 1 . . . . 34 LYS N . 15298 1 193 . 1 1 35 35 GLU H H 1 8.23 0.05 . 1 . . . . 35 GLU H . 15298 1 194 . 1 1 35 35 GLU HA H 1 4.04 0.05 . 1 . . . . 35 GLU HA . 15298 1 195 . 1 1 35 35 GLU C C 13 177.16 0.05 . 1 . . . . 35 GLU C . 15298 1 196 . 1 1 35 35 GLU CA C 13 56.59 0.05 . 1 . . . . 35 GLU CA . 15298 1 197 . 1 1 35 35 GLU CB C 13 30.2 0.05 . 1 . . . . 35 GLU CB . 15298 1 198 . 1 1 35 35 GLU N N 15 121.54 0.05 . 1 . . . . 35 GLU N . 15298 1 199 . 1 1 36 36 GLY H H 1 8.26 0.05 . 1 . . . . 36 GLY H . 15298 1 200 . 1 1 36 36 GLY HA2 H 1 3.74 0.05 . 2 . . . . 36 GLY HA2 . 15298 1 201 . 1 1 36 36 GLY C C 13 174.17 0.05 . 1 . . . . 36 GLY C . 15298 1 202 . 1 1 36 36 GLY CA C 13 45.31 0.05 . 1 . . . . 36 GLY CA . 15298 1 203 . 1 1 36 36 GLY N N 15 109.75 0.05 . 1 . . . . 36 GLY N . 15298 1 204 . 1 1 37 37 VAL H H 1 7.73 0.05 . 1 . . . . 37 VAL H . 15298 1 205 . 1 1 37 37 VAL HA H 1 3.85 0.05 . 1 . . . . 37 VAL HA . 15298 1 206 . 1 1 37 37 VAL C C 13 176.09 0.05 . 1 . . . . 37 VAL C . 15298 1 207 . 1 1 37 37 VAL CA C 13 62.35 0.05 . 1 . . . . 37 VAL CA . 15298 1 208 . 1 1 37 37 VAL CB C 13 32.64 0.05 . 1 . . . . 37 VAL CB . 15298 1 209 . 1 1 37 37 VAL N N 15 119.38 0.05 . 1 . . . . 37 VAL N . 15298 1 210 . 1 1 38 38 LEU H H 1 8.1 0.05 . 1 . . . . 38 LEU H . 15298 1 211 . 1 1 38 38 LEU HA H 1 4.13 0.05 . 1 . . . . 38 LEU HA . 15298 1 212 . 1 1 38 38 LEU C C 13 176.81 0.05 . 1 . . . . 38 LEU C . 15298 1 213 . 1 1 38 38 LEU CA C 13 54.84 0.05 . 1 . . . . 38 LEU CA . 15298 1 214 . 1 1 38 38 LEU CB C 13 42.43 0.05 . 1 . . . . 38 LEU CB . 15298 1 215 . 1 1 38 38 LEU N N 15 125.53 0.05 . 1 . . . . 38 LEU N . 15298 1 216 . 1 1 39 39 TYR H H 1 8.1 0.05 . 1 . . . . 39 TYR H . 15298 1 217 . 1 1 39 39 TYR HA H 1 4.36 0.05 . 1 . . . . 39 TYR HA . 15298 1 218 . 1 1 39 39 TYR C C 13 175.72 0.05 . 1 . . . . 39 TYR C . 15298 1 219 . 1 1 39 39 TYR CA C 13 57.8 0.05 . 1 . . . . 39 TYR CA . 15298 1 220 . 1 1 39 39 TYR CB C 13 38.73 0.05 . 1 . . . . 39 TYR CB . 15298 1 221 . 1 1 39 39 TYR N N 15 122.24 0.05 . 1 . . . . 39 TYR N . 15298 1 222 . 1 1 40 40 VAL H H 1 7.91 0.05 . 1 . . . . 40 VAL H . 15298 1 223 . 1 1 40 40 VAL HA H 1 3.85 0.05 . 1 . . . . 40 VAL HA . 15298 1 224 . 1 1 40 40 VAL C C 13 176.3 0.05 . 1 . . . . 40 VAL C . 15298 1 225 . 1 1 40 40 VAL CA C 13 62.21 0.05 . 1 . . . . 40 VAL CA . 15298 1 226 . 1 1 40 40 VAL CB C 13 32.7 0.05 . 1 . . . . 40 VAL CB . 15298 1 227 . 1 1 40 40 VAL N N 15 123.19 0.05 . 1 . . . . 40 VAL N . 15298 1 228 . 1 1 41 41 GLY H H 1 7.87 0.05 . 1 . . . . 41 GLY H . 15298 1 229 . 1 1 41 41 GLY HA2 H 1 3.72 0.05 . 2 . . . . 41 GLY HA2 . 15298 1 230 . 1 1 41 41 GLY C C 13 174.08 0.05 . 1 . . . . 41 GLY C . 15298 1 231 . 1 1 41 41 GLY CA C 13 45.14 0.05 . 1 . . . . 41 GLY CA . 15298 1 232 . 1 1 41 41 GLY N N 15 111.99 0.05 . 1 . . . . 41 GLY N . 15298 1 233 . 1 1 42 42 SER H H 1 8.08 0.05 . 1 . . . . 42 SER H . 15298 1 234 . 1 1 42 42 SER HA H 1 4.23 0.05 . 1 . . . . 42 SER HA . 15298 1 235 . 1 1 42 42 SER C C 13 174.93 0.05 . 1 . . . . 42 SER C . 15298 1 236 . 1 1 42 42 SER CA C 13 58.36 0.05 . 1 . . . . 42 SER CA . 15298 1 237 . 1 1 42 42 SER CB C 13 63.75 0.05 . 1 . . . . 42 SER CB . 15298 1 238 . 1 1 42 42 SER N N 15 115.44 0.05 . 1 . . . . 42 SER N . 15298 1 239 . 1 1 43 43 LYS H H 1 8.31 0.05 . 1 . . . . 43 LYS H . 15298 1 240 . 1 1 43 43 LYS HA H 1 4.21 0.05 . 1 . . . . 43 LYS HA . 15298 1 241 . 1 1 43 43 LYS C C 13 176.99 0.05 . 1 . . . . 43 LYS C . 15298 1 242 . 1 1 43 43 LYS CA C 13 56.36 0.05 . 1 . . . . 43 LYS CA . 15298 1 243 . 1 1 43 43 LYS CB C 13 32.92 0.05 . 1 . . . . 43 LYS CB . 15298 1 244 . 1 1 43 43 LYS N N 15 123.24 0.05 . 1 . . . . 43 LYS N . 15298 1 245 . 1 1 44 44 THR H H 1 8.01 0.05 . 1 . . . . 44 THR H . 15298 1 246 . 1 1 44 44 THR HA H 1 4.1 0.05 . 1 . . . . 44 THR HA . 15298 1 247 . 1 1 44 44 THR C C 13 174.69 0.05 . 1 . . . . 44 THR C . 15298 1 248 . 1 1 44 44 THR CA C 13 61.92 0.05 . 1 . . . . 44 THR CA . 15298 1 249 . 1 1 44 44 THR CB C 13 69.77 0.05 . 1 . . . . 44 THR CB . 15298 1 250 . 1 1 44 44 THR N N 15 115.22 0.05 . 1 . . . . 44 THR N . 15298 1 251 . 1 1 45 45 ARG H H 1 8.26 0.05 . 1 . . . . 45 ARG H . 15298 1 252 . 1 1 45 45 ARG HA H 1 4.6 0.05 . 1 . . . . 45 ARG HA . 15298 1 253 . 1 1 45 45 ARG C C 13 176.32 0.05 . 1 . . . . 45 ARG C . 15298 1 254 . 1 1 45 45 ARG CA C 13 56.16 0.05 . 1 . . . . 45 ARG CA . 15298 1 255 . 1 1 45 45 ARG CB C 13 30.64 0.05 . 1 . . . . 45 ARG CB . 15298 1 256 . 1 1 45 45 ARG N N 15 123.23 0.05 . 1 . . . . 45 ARG N . 15298 1 257 . 1 1 46 46 GLU H H 1 8.3 0.05 . 1 . . . . 46 GLU H . 15298 1 258 . 1 1 46 46 GLU HA H 1 4.05 0.05 . 1 . . . . 46 GLU HA . 15298 1 259 . 1 1 46 46 GLU C C 13 177.12 0.05 . 1 . . . . 46 GLU C . 15298 1 260 . 1 1 46 46 GLU CA C 13 56.65 0.05 . 1 . . . . 46 GLU CA . 15298 1 261 . 1 1 46 46 GLU CB C 13 30.21 0.05 . 1 . . . . 46 GLU CB . 15298 1 262 . 1 1 46 46 GLU N N 15 121.98 0.05 . 1 . . . . 46 GLU N . 15298 1 263 . 1 1 47 47 GLY H H 1 8.29 0.05 . 1 . . . . 47 GLY H . 15298 1 264 . 1 1 47 47 GLY HA2 H 1 3.74 0.05 . 2 . . . . 47 GLY HA2 . 15298 1 265 . 1 1 47 47 GLY C C 13 174.02 0.05 . 1 . . . . 47 GLY C . 15298 1 266 . 1 1 47 47 GLY CA C 13 45.22 0.05 . 1 . . . . 47 GLY CA . 15298 1 267 . 1 1 47 47 GLY N N 15 109.93 0.05 . 1 . . . . 47 GLY N . 15298 1 268 . 1 1 48 48 VAL H H 1 7.76 0.05 . 1 . . . . 48 VAL H . 15298 1 269 . 1 1 48 48 VAL HA H 1 3.91 0.05 . 1 . . . . 48 VAL HA . 15298 1 270 . 1 1 48 48 VAL C C 13 176.43 0.05 . 1 . . . . 48 VAL C . 15298 1 271 . 1 1 48 48 VAL CA C 13 62.31 0.05 . 1 . . . . 48 VAL CA . 15298 1 272 . 1 1 48 48 VAL CB C 13 32.68 0.05 . 1 . . . . 48 VAL CB . 15298 1 273 . 1 1 48 48 VAL N N 15 119.76 0.05 . 1 . . . . 48 VAL N . 15298 1 274 . 1 1 49 49 VAL H H 1 8.2 0.05 . 1 . . . . 49 VAL H . 15298 1 275 . 1 1 49 49 VAL HA H 1 3.88 0.05 . 1 . . . . 49 VAL HA . 15298 1 276 . 1 1 49 49 VAL C C 13 176.19 0.05 . 1 . . . . 49 VAL C . 15298 1 277 . 1 1 49 49 VAL CA C 13 62.34 0.05 . 1 . . . . 49 VAL CA . 15298 1 278 . 1 1 49 49 VAL CB C 13 32.67 0.05 . 1 . . . . 49 VAL CB . 15298 1 279 . 1 1 49 49 VAL N N 15 125.41 0.05 . 1 . . . . 49 VAL N . 15298 1 280 . 1 1 50 50 GLN H H 1 8.42 0.05 . 1 . . . . 50 GLN H . 15298 1 281 . 1 1 50 50 GLN HA H 1 4.11 0.05 . 1 . . . . 50 GLN HA . 15298 1 282 . 1 1 50 50 GLN C C 13 176.44 0.05 . 1 . . . . 50 GLN C . 15298 1 283 . 1 1 50 50 GLN CA C 13 55.76 0.05 . 1 . . . . 50 GLN CA . 15298 1 284 . 1 1 50 50 GLN CB C 13 29.44 0.05 . 1 . . . . 50 GLN CB . 15298 1 285 . 1 1 50 50 GLN N N 15 125.2 0.05 . 1 . . . . 50 GLN N . 15298 1 286 . 1 1 51 51 GLY H H 1 8.32 0.05 . 1 . . . . 51 GLY H . 15298 1 287 . 1 1 51 51 GLY HA2 H 1 3.76 0.05 . 2 . . . . 51 GLY HA2 . 15298 1 288 . 1 1 51 51 GLY C C 13 174 0.05 . 1 . . . . 51 GLY C . 15298 1 289 . 1 1 51 51 GLY CA C 13 45.24 0.05 . 1 . . . . 51 GLY CA . 15298 1 290 . 1 1 51 51 GLY N N 15 110.63 0.05 . 1 . . . . 51 GLY N . 15298 1 291 . 1 1 52 52 VAL H H 1 7.88 0.05 . 1 . . . . 52 VAL H . 15298 1 292 . 1 1 52 52 VAL HA H 1 3.91 0.05 . 1 . . . . 52 VAL HA . 15298 1 293 . 1 1 52 52 VAL C C 13 176.18 0.05 . 1 . . . . 52 VAL C . 15298 1 294 . 1 1 52 52 VAL CA C 13 62.16 0.05 . 1 . . . . 52 VAL CA . 15298 1 295 . 1 1 52 52 VAL CB C 13 32.77 0.05 . 1 . . . . 52 VAL CB . 15298 1 296 . 1 1 52 52 VAL N N 15 119.41 0.05 . 1 . . . . 52 VAL N . 15298 1 297 . 1 1 53 53 ALA H H 1 8.31 0.05 . 1 . . . . 53 ALA H . 15298 1 298 . 1 1 53 53 ALA HA H 1 4.14 0.05 . 1 . . . . 53 ALA HA . 15298 1 299 . 1 1 53 53 ALA C C 13 177.91 0.05 . 1 . . . . 53 ALA C . 15298 1 300 . 1 1 53 53 ALA CA C 13 52.41 0.05 . 1 . . . . 53 ALA CA . 15298 1 301 . 1 1 53 53 ALA CB C 13 19.13 0.05 . 1 . . . . 53 ALA CB . 15298 1 302 . 1 1 53 53 ALA N N 15 127.94 0.05 . 1 . . . . 53 ALA N . 15298 1 303 . 1 1 54 54 SER H H 1 8.18 0.05 . 1 . . . . 54 SER H . 15298 1 304 . 1 1 54 54 SER HA H 1 4.24 0.05 . 1 . . . . 54 SER HA . 15298 1 305 . 1 1 54 54 SER C C 13 174.81 0.05 . 1 . . . . 54 SER C . 15298 1 306 . 1 1 54 54 SER CA C 13 58.04 0.05 . 1 . . . . 54 SER CA . 15298 1 307 . 1 1 54 54 SER CB C 13 63.75 0.05 . 1 . . . . 54 SER CB . 15298 1 308 . 1 1 54 54 SER N N 15 115.78 0.05 . 1 . . . . 54 SER N . 15298 1 309 . 1 1 55 55 VAL H H 1 8.07 0.05 . 1 . . . . 55 VAL H . 15298 1 310 . 1 1 55 55 VAL HA H 1 3.89 0.05 . 1 . . . . 55 VAL HA . 15298 1 311 . 1 1 55 55 VAL C C 13 176.34 0.05 . 1 . . . . 55 VAL C . 15298 1 312 . 1 1 55 55 VAL CA C 13 62.62 0.05 . 1 . . . . 55 VAL CA . 15298 1 313 . 1 1 55 55 VAL CB C 13 32.62 0.05 . 1 . . . . 55 VAL CB . 15298 1 314 . 1 1 55 55 VAL N N 15 121.93 0.05 . 1 . . . . 55 VAL N . 15298 1 315 . 1 1 56 56 ALA H H 1 8.19 0.05 . 1 . . . . 56 ALA H . 15298 1 316 . 1 1 56 56 ALA HA H 1 4.07 0.05 . 1 . . . . 56 ALA HA . 15298 1 317 . 1 1 56 56 ALA C C 13 178.21 0.05 . 1 . . . . 56 ALA C . 15298 1 318 . 1 1 56 56 ALA CA C 13 52.77 0.05 . 1 . . . . 56 ALA CA . 15298 1 319 . 1 1 56 56 ALA CB C 13 19.02 0.05 . 1 . . . . 56 ALA CB . 15298 1 320 . 1 1 56 56 ALA N N 15 127.12 0.05 . 1 . . . . 56 ALA N . 15298 1 321 . 1 1 57 57 GLU H H 1 8.16 0.05 . 1 . . . . 57 GLU H . 15298 1 322 . 1 1 57 57 GLU HA H 1 4.08 0.05 . 1 . . . . 57 GLU HA . 15298 1 323 . 1 1 57 57 GLU C C 13 177.08 0.05 . 1 . . . . 57 GLU C . 15298 1 324 . 1 1 57 57 GLU CA C 13 56.52 0.05 . 1 . . . . 57 GLU CA . 15298 1 325 . 1 1 57 57 GLU CB C 13 30.34 0.05 . 1 . . . . 57 GLU CB . 15298 1 326 . 1 1 57 57 GLU N N 15 120.51 0.05 . 1 . . . . 57 GLU N . 15298 1 327 . 1 1 58 58 LYS H H 1 8.23 0.05 . 1 . . . . 58 LYS H . 15298 1 328 . 1 1 58 58 LYS HA H 1 4.14 0.05 . 1 . . . . 58 LYS HA . 15298 1 329 . 1 1 58 58 LYS C C 13 177.38 0.05 . 1 . . . . 58 LYS C . 15298 1 330 . 1 1 58 58 LYS CA C 13 56.59 0.05 . 1 . . . . 58 LYS CA . 15298 1 331 . 1 1 58 58 LYS CB C 13 32.78 0.05 . 1 . . . . 58 LYS CB . 15298 1 332 . 1 1 58 58 LYS N N 15 122.4 0.05 . 1 . . . . 58 LYS N . 15298 1 333 . 1 1 59 59 THR H H 1 8.03 0.05 . 1 . . . . 59 THR H . 15298 1 334 . 1 1 59 59 THR HA H 1 4.05 0.05 . 1 . . . . 59 THR HA . 15298 1 335 . 1 1 59 59 THR C C 13 175.04 0.05 . 1 . . . . 59 THR C . 15298 1 336 . 1 1 59 59 THR CA C 13 62.47 0.05 . 1 . . . . 59 THR CA . 15298 1 337 . 1 1 59 59 THR CB C 13 69.71 0.05 . 1 . . . . 59 THR CB . 15298 1 338 . 1 1 59 59 THR N N 15 115.45 0.05 . 1 . . . . 59 THR N . 15298 1 339 . 1 1 60 60 LYS H H 1 8.18 0.05 . 1 . . . . 60 LYS H . 15298 1 340 . 1 1 60 60 LYS HA H 1 4.08 0.05 . 1 . . . . 60 LYS HA . 15298 1 341 . 1 1 60 60 LYS C C 13 177.26 0.05 . 1 . . . . 60 LYS C . 15298 1 342 . 1 1 60 60 LYS CA C 13 56.92 0.05 . 1 . . . . 60 LYS CA . 15298 1 343 . 1 1 60 60 LYS CB C 13 32.72 0.05 . 1 . . . . 60 LYS CB . 15298 1 344 . 1 1 60 60 LYS N N 15 123.33 0.05 . 1 . . . . 60 LYS N . 15298 1 345 . 1 1 61 61 GLU H H 1 8.25 0.05 . 1 . . . . 61 GLU H . 15298 1 346 . 1 1 61 61 GLU HA H 1 4.01 0.05 . 1 . . . . 61 GLU HA . 15298 1 347 . 1 1 61 61 GLU C C 13 177.14 0.05 . 1 . . . . 61 GLU C . 15298 1 348 . 1 1 61 61 GLU CA C 13 57.3 0.05 . 1 . . . . 61 GLU CA . 15298 1 349 . 1 1 61 61 GLU CB C 13 30.02 0.05 . 1 . . . . 61 GLU CB . 15298 1 350 . 1 1 61 61 GLU N N 15 121.7 0.05 . 1 . . . . 61 GLU N . 15298 1 351 . 1 1 62 62 GLN H H 1 8.19 0.05 . 1 . . . . 62 GLN H . 15298 1 352 . 1 1 62 62 GLN HA H 1 4.04 0.05 . 1 . . . . 62 GLN HA . 15298 1 353 . 1 1 62 62 GLN C C 13 176.34 0.05 . 1 . . . . 62 GLN C . 15298 1 354 . 1 1 62 62 GLN CA C 13 56.12 0.05 . 1 . . . . 62 GLN CA . 15298 1 355 . 1 1 62 62 GLN CB C 13 29.38 0.05 . 1 . . . . 62 GLN CB . 15298 1 356 . 1 1 62 62 GLN N N 15 121.09 0.05 . 1 . . . . 62 GLN N . 15298 1 357 . 1 1 63 63 ALA H H 1 8.16 0.05 . 1 . . . . 63 ALA H . 15298 1 358 . 1 1 63 63 ALA HA H 1 4.08 0.05 . 1 . . . . 63 ALA HA . 15298 1 359 . 1 1 63 63 ALA C C 13 178.17 0.05 . 1 . . . . 63 ALA C . 15298 1 360 . 1 1 63 63 ALA CA C 13 52.77 0.05 . 1 . . . . 63 ALA CA . 15298 1 361 . 1 1 63 63 ALA CB C 13 19.03 0.05 . 1 . . . . 63 ALA CB . 15298 1 362 . 1 1 63 63 ALA N N 15 124.54 0.05 . 1 . . . . 63 ALA N . 15298 1 363 . 1 1 64 64 SER H H 1 8.06 0.05 . 1 . . . . 64 SER H . 15298 1 364 . 1 1 64 64 SER HA H 1 4.16 0.05 . 1 . . . . 64 SER HA . 15298 1 365 . 1 1 64 64 SER C C 13 174.68 0.05 . 1 . . . . 64 SER C . 15298 1 366 . 1 1 64 64 SER CA C 13 58.57 0.05 . 1 . . . . 64 SER CA . 15298 1 367 . 1 1 64 64 SER CB C 13 63.65 0.05 . 1 . . . . 64 SER CB . 15298 1 368 . 1 1 64 64 SER N N 15 114.47 0.05 . 1 . . . . 64 SER N . 15298 1 369 . 1 1 65 65 HIS H H 1 8.16 0.05 . 1 . . . . 65 HIS H . 15298 1 370 . 1 1 65 65 HIS C C 13 175.06 0.05 . 1 . . . . 65 HIS C . 15298 1 371 . 1 1 65 65 HIS CA C 13 55.98 0.05 . 1 . . . . 65 HIS CA . 15298 1 372 . 1 1 65 65 HIS CB C 13 29.6 0.05 . 1 . . . . 65 HIS CB . 15298 1 373 . 1 1 65 65 HIS N N 15 120.46 0.05 . 1 . . . . 65 HIS N . 15298 1 374 . 1 1 66 66 LEU H H 1 8.04 0.05 . 1 . . . . 66 LEU H . 15298 1 375 . 1 1 66 66 LEU HA H 1 4.08 0.05 . 1 . . . . 66 LEU HA . 15298 1 376 . 1 1 66 66 LEU C C 13 178.04 0.05 . 1 . . . . 66 LEU C . 15298 1 377 . 1 1 66 66 LEU CA C 13 55.27 0.05 . 1 . . . . 66 LEU CA . 15298 1 378 . 1 1 66 66 LEU CB C 13 42.1 0.05 . 1 . . . . 66 LEU CB . 15298 1 379 . 1 1 66 66 LEU N N 15 122.97 0.05 . 1 . . . . 66 LEU N . 15298 1 380 . 1 1 67 67 GLY H H 1 8.26 0.05 . 1 . . . . 67 GLY H . 15298 1 381 . 1 1 67 67 GLY HA2 H 1 3.75 0.05 . 2 . . . . 67 GLY HA2 . 15298 1 382 . 1 1 67 67 GLY C C 13 174.75 0.05 . 1 . . . . 67 GLY C . 15298 1 383 . 1 1 67 67 GLY CA C 13 45.25 0.05 . 1 . . . . 67 GLY CA . 15298 1 384 . 1 1 67 67 GLY N N 15 109.55 0.05 . 1 . . . . 67 GLY N . 15298 1 385 . 1 1 68 68 GLY H H 1 8.09 0.05 . 1 . . . . 68 GLY H . 15298 1 386 . 1 1 68 68 GLY HA2 H 1 3.75 0.05 . 2 . . . . 68 GLY HA2 . 15298 1 387 . 1 1 68 68 GLY C C 13 173.93 0.05 . 1 . . . . 68 GLY C . 15298 1 388 . 1 1 68 68 GLY CA C 13 44.99 0.05 . 1 . . . . 68 GLY CA . 15298 1 389 . 1 1 68 68 GLY N N 15 108.54 0.05 . 1 . . . . 68 GLY N . 15298 1 390 . 1 1 69 69 ALA H H 1 8.01 0.05 . 1 . . . . 69 ALA H . 15298 1 391 . 1 1 69 69 ALA HA H 1 4.11 0.05 . 1 . . . . 69 ALA HA . 15298 1 392 . 1 1 69 69 ALA C C 13 177.76 0.05 . 1 . . . . 69 ALA C . 15298 1 393 . 1 1 69 69 ALA CA C 13 52.34 0.05 . 1 . . . . 69 ALA CA . 15298 1 394 . 1 1 69 69 ALA CB C 13 19.31 0.05 . 1 . . . . 69 ALA CB . 15298 1 395 . 1 1 69 69 ALA N N 15 123.67 0.05 . 1 . . . . 69 ALA N . 15298 1 396 . 1 1 70 70 VAL H H 1 7.92 0.05 . 1 . . . . 70 VAL H . 15298 1 397 . 1 1 70 70 VAL HA H 1 3.83 0.05 . 1 . . . . 70 VAL HA . 15298 1 398 . 1 1 70 70 VAL C C 13 176.05 0.05 . 1 . . . . 70 VAL C . 15298 1 399 . 1 1 70 70 VAL CA C 13 62.2 0.05 . 1 . . . . 70 VAL CA . 15298 1 400 . 1 1 70 70 VAL CB C 13 32.75 0.05 . 1 . . . . 70 VAL CB . 15298 1 401 . 1 1 70 70 VAL N N 15 119.24 0.05 . 1 . . . . 70 VAL N . 15298 1 402 . 1 1 71 71 PHE H H 1 8.25 0.05 . 1 . . . . 71 PHE H . 15298 1 403 . 1 1 71 71 PHE HA H 1 4.48 0.05 . 1 . . . . 71 PHE HA . 15298 1 404 . 1 1 71 71 PHE C C 13 175.83 0.05 . 1 . . . . 71 PHE C . 15298 1 405 . 1 1 71 71 PHE CA C 13 57.56 0.05 . 1 . . . . 71 PHE CA . 15298 1 406 . 1 1 71 71 PHE CB C 13 39.67 0.05 . 1 . . . . 71 PHE CB . 15298 1 407 . 1 1 71 71 PHE N N 15 124.4 0.05 . 1 . . . . 71 PHE N . 15298 1 408 . 1 1 72 72 SER H H 1 8.17 0.05 . 1 . . . . 72 SER H . 15298 1 409 . 1 1 72 72 SER HA H 1 4.2 0.05 . 1 . . . . 72 SER HA . 15298 1 410 . 1 1 72 72 SER C C 13 174.81 0.05 . 1 . . . . 72 SER C . 15298 1 411 . 1 1 72 72 SER CA C 13 57.95 0.05 . 1 . . . . 72 SER CA . 15298 1 412 . 1 1 72 72 SER CB C 13 63.76 0.05 . 1 . . . . 72 SER CB . 15298 1 413 . 1 1 72 72 SER N N 15 118.5 0.05 . 1 . . . . 72 SER N . 15298 1 414 . 1 1 73 73 GLY H H 1 7.68 0.05 . 1 . . . . 73 GLY H . 15298 1 415 . 1 1 73 73 GLY HA2 H 1 3.71 0.05 . 2 . . . . 73 GLY HA2 . 15298 1 416 . 1 1 73 73 GLY C C 13 173.93 0.05 . 1 . . . . 73 GLY C . 15298 1 417 . 1 1 73 73 GLY CA C 13 45.27 0.05 . 1 . . . . 73 GLY CA . 15298 1 418 . 1 1 73 73 GLY N N 15 110.49 0.05 . 1 . . . . 73 GLY N . 15298 1 419 . 1 1 74 74 ALA H H 1 8.05 0.05 . 1 . . . . 74 ALA H . 15298 1 420 . 1 1 74 74 ALA HA H 1 4.11 0.05 . 1 . . . . 74 ALA HA . 15298 1 421 . 1 1 74 74 ALA C C 13 178.45 0.05 . 1 . . . . 74 ALA C . 15298 1 422 . 1 1 74 74 ALA CA C 13 52.65 0.05 . 1 . . . . 74 ALA CA . 15298 1 423 . 1 1 74 74 ALA CB C 13 19.13 0.05 . 1 . . . . 74 ALA CB . 15298 1 424 . 1 1 74 74 ALA N N 15 123.54 0.05 . 1 . . . . 74 ALA N . 15298 1 425 . 1 1 75 75 GLY H H 1 8.27 0.05 . 1 . . . . 75 GLY H . 15298 1 426 . 1 1 75 75 GLY HA2 H 1 3.71 0.05 . 2 . . . . 75 GLY HA2 . 15298 1 427 . 1 1 75 75 GLY C C 13 174 0.05 . 1 . . . . 75 GLY C . 15298 1 428 . 1 1 75 75 GLY CA C 13 45.23 0.05 . 1 . . . . 75 GLY CA . 15298 1 429 . 1 1 75 75 GLY N N 15 107.66 0.05 . 1 . . . . 75 GLY N . 15298 1 430 . 1 1 76 76 ASN H H 1 8.08 0.05 . 1 . . . . 76 ASN H . 15298 1 431 . 1 1 76 76 ASN HA H 1 4.5 0.05 . 1 . . . . 76 ASN HA . 15298 1 432 . 1 1 76 76 ASN C C 13 175.4 0.05 . 1 . . . . 76 ASN C . 15298 1 433 . 1 1 76 76 ASN CA C 13 53.03 0.05 . 1 . . . . 76 ASN CA . 15298 1 434 . 1 1 76 76 ASN CB C 13 38.91 0.05 . 1 . . . . 76 ASN CB . 15298 1 435 . 1 1 76 76 ASN N N 15 118.48 0.05 . 1 . . . . 76 ASN N . 15298 1 436 . 1 1 77 77 ILE H H 1 7.95 0.05 . 1 . . . . 77 ILE H . 15298 1 437 . 1 1 77 77 ILE HA H 1 3.92 0.05 . 1 . . . . 77 ILE HA . 15298 1 438 . 1 1 77 77 ILE C C 13 176.28 0.05 . 1 . . . . 77 ILE C . 15298 1 439 . 1 1 77 77 ILE CA C 13 61.28 0.05 . 1 . . . . 77 ILE CA . 15298 1 440 . 1 1 77 77 ILE CB C 13 38.6 0.05 . 1 . . . . 77 ILE CB . 15298 1 441 . 1 1 77 77 ILE N N 15 121.41 0.05 . 1 . . . . 77 ILE N . 15298 1 442 . 1 1 78 78 ALA H H 1 8.21 0.05 . 1 . . . . 78 ALA H . 15298 1 443 . 1 1 78 78 ALA HA H 1 4.06 0.05 . 1 . . . . 78 ALA HA . 15298 1 444 . 1 1 78 78 ALA C C 13 177.69 0.05 . 1 . . . . 78 ALA C . 15298 1 445 . 1 1 78 78 ALA CA C 13 52.46 0.05 . 1 . . . . 78 ALA CA . 15298 1 446 . 1 1 78 78 ALA CB C 13 18.93 0.05 . 1 . . . . 78 ALA CB . 15298 1 447 . 1 1 78 78 ALA N N 15 127.94 0.05 . 1 . . . . 78 ALA N . 15298 1 448 . 1 1 79 79 ALA H H 1 8.03 0.05 . 1 . . . . 79 ALA H . 15298 1 449 . 1 1 79 79 ALA HA H 1 4.05 0.05 . 1 . . . . 79 ALA HA . 15298 1 450 . 1 1 79 79 ALA C C 13 177.9 0.05 . 1 . . . . 79 ALA C . 15298 1 451 . 1 1 79 79 ALA CA C 13 52.36 0.05 . 1 . . . . 79 ALA CA . 15298 1 452 . 1 1 79 79 ALA CB C 13 19.03 0.05 . 1 . . . . 79 ALA CB . 15298 1 453 . 1 1 79 79 ALA N N 15 123.19 0.05 . 1 . . . . 79 ALA N . 15298 1 454 . 1 1 80 80 ALA H H 1 8.13 0.05 . 1 . . . . 80 ALA H . 15298 1 455 . 1 1 80 80 ALA HA H 1 4.15 0.05 . 1 . . . . 80 ALA HA . 15298 1 456 . 1 1 80 80 ALA C C 13 178.29 0.05 . 1 . . . . 80 ALA C . 15298 1 457 . 1 1 80 80 ALA CA C 13 52.51 0.05 . 1 . . . . 80 ALA CA . 15298 1 458 . 1 1 80 80 ALA CB C 13 19.01 0.05 . 1 . . . . 80 ALA CB . 15298 1 459 . 1 1 80 80 ALA N N 15 123.19 0.05 . 1 . . . . 80 ALA N . 15298 1 460 . 1 1 81 81 THR H H 1 7.91 0.05 . 1 . . . . 81 THR H . 15298 1 461 . 1 1 81 81 THR HA H 1 4.11 0.05 . 1 . . . . 81 THR HA . 15298 1 462 . 1 1 81 81 THR C C 13 175.34 0.05 . 1 . . . . 81 THR C . 15298 1 463 . 1 1 81 81 THR CA C 13 61.94 0.05 . 1 . . . . 81 THR CA . 15298 1 464 . 1 1 81 81 THR CB C 13 69.81 0.05 . 1 . . . . 81 THR CB . 15298 1 465 . 1 1 81 81 THR N N 15 112.35 0.05 . 1 . . . . 81 THR N . 15298 1 466 . 1 1 82 82 GLY H H 1 8.18 0.05 . 1 . . . . 82 GLY H . 15298 1 467 . 1 1 82 82 GLY HA2 H 1 3.74 0.05 . 2 . . . . 82 GLY HA2 . 15298 1 468 . 1 1 82 82 GLY C C 13 173.99 0.05 . 1 . . . . 82 GLY C . 15298 1 469 . 1 1 82 82 GLY CA C 13 45.26 0.05 . 1 . . . . 82 GLY CA . 15298 1 470 . 1 1 82 82 GLY N N 15 110.6 0.05 . 1 . . . . 82 GLY N . 15298 1 471 . 1 1 83 83 LEU H H 1 7.89 0.05 . 1 . . . . 83 LEU H . 15298 1 472 . 1 1 83 83 LEU HA H 1 4.15 0.05 . 1 . . . . 83 LEU HA . 15298 1 473 . 1 1 83 83 LEU C C 13 177.41 0.05 . 1 . . . . 83 LEU C . 15298 1 474 . 1 1 83 83 LEU CA C 13 55.08 0.05 . 1 . . . . 83 LEU CA . 15298 1 475 . 1 1 83 83 LEU CB C 13 42.4 0.05 . 1 . . . . 83 LEU CB . 15298 1 476 . 1 1 83 83 LEU N N 15 121.45 0.05 . 1 . . . . 83 LEU N . 15298 1 477 . 1 1 84 84 VAL H H 1 7.98 0.05 . 1 . . . . 84 VAL H . 15298 1 478 . 1 1 84 84 VAL HA H 1 3.86 0.05 . 1 . . . . 84 VAL HA . 15298 1 479 . 1 1 84 84 VAL C C 13 175.97 0.05 . 1 . . . . 84 VAL C . 15298 1 480 . 1 1 84 84 VAL CA C 13 62.18 0.05 . 1 . . . . 84 VAL CA . 15298 1 481 . 1 1 84 84 VAL CB C 13 32.87 0.05 . 1 . . . . 84 VAL CB . 15298 1 482 . 1 1 84 84 VAL N N 15 122.06 0.05 . 1 . . . . 84 VAL N . 15298 1 483 . 1 1 85 85 LYS H H 1 8.31 0.05 . 1 . . . . 85 LYS H . 15298 1 484 . 1 1 85 85 LYS HA H 1 4.1 0.05 . 1 . . . . 85 LYS HA . 15298 1 485 . 1 1 85 85 LYS C C 13 176.28 0.05 . 1 . . . . 85 LYS C . 15298 1 486 . 1 1 85 85 LYS CA C 13 56.06 0.05 . 1 . . . . 85 LYS CA . 15298 1 487 . 1 1 85 85 LYS CB C 13 32.95 0.05 . 1 . . . . 85 LYS CB . 15298 1 488 . 1 1 85 85 LYS N N 15 126.62 0.05 . 1 . . . . 85 LYS N . 15298 1 489 . 1 1 86 86 ARG H H 1 8.33 0.05 . 1 . . . . 86 ARG H . 15298 1 490 . 1 1 86 86 ARG HA H 1 4.37 0.05 . 1 . . . . 86 ARG HA . 15298 1 491 . 1 1 86 86 ARG C C 13 176.19 0.05 . 1 . . . . 86 ARG C . 15298 1 492 . 1 1 86 86 ARG CA C 13 56.1 0.05 . 1 . . . . 86 ARG CA . 15298 1 493 . 1 1 86 86 ARG CB C 13 30.81 0.05 . 1 . . . . 86 ARG CB . 15298 1 494 . 1 1 86 86 ARG N N 15 124.16 0.05 . 1 . . . . 86 ARG N . 15298 1 495 . 1 1 87 87 GLU H H 1 8.41 0.05 . 1 . . . . 87 GLU H . 15298 1 496 . 1 1 87 87 GLU HA H 1 4.02 0.05 . 1 . . . . 87 GLU HA . 15298 1 497 . 1 1 87 87 GLU C C 13 175.99 0.05 . 1 . . . . 87 GLU C . 15298 1 498 . 1 1 87 87 GLU CA C 13 56.33 0.05 . 1 . . . . 87 GLU CA . 15298 1 499 . 1 1 87 87 GLU CB C 13 30.3 0.05 . 1 . . . . 87 GLU CB . 15298 1 500 . 1 1 87 87 GLU N N 15 122.85 0.05 . 1 . . . . 87 GLU N . 15298 1 501 . 1 1 88 88 GLU H H 1 8.2 0.05 . 1 . . . . 88 GLU H . 15298 1 502 . 1 1 88 88 GLU HA H 1 3.97 0.05 . 1 . . . . 88 GLU HA . 15298 1 503 . 1 1 88 88 GLU C C 13 175.8 0.05 . 1 . . . . 88 GLU C . 15298 1 504 . 1 1 88 88 GLU CA C 13 56.22 0.05 . 1 . . . . 88 GLU CA . 15298 1 505 . 1 1 88 88 GLU CB C 13 30.46 0.05 . 1 . . . . 88 GLU CB . 15298 1 506 . 1 1 88 88 GLU N N 15 122.11 0.05 . 1 . . . . 88 GLU N . 15298 1 507 . 1 1 89 89 PHE H H 1 8.15 0.05 . 1 . . . . 89 PHE H . 15298 1 508 . 1 1 89 89 PHE HA H 1 4.7 0.05 . 1 . . . . 89 PHE HA . 15298 1 509 . 1 1 89 89 PHE C C 13 173.89 0.05 . 1 . . . . 89 PHE C . 15298 1 510 . 1 1 89 89 PHE CA C 13 55.34 0.05 . 1 . . . . 89 PHE CA . 15298 1 511 . 1 1 89 89 PHE CB C 13 39.13 0.05 . 1 . . . . 89 PHE CB . 15298 1 512 . 1 1 89 89 PHE N N 15 121.16 0.05 . 1 . . . . 89 PHE N . 15298 1 513 . 1 1 90 90 PRO C C 13 177.32 0.05 . 1 . . . . 90 PRO C . 15298 1 514 . 1 1 90 90 PRO CA C 13 63.22 0.05 . 1 . . . . 90 PRO CA . 15298 1 515 . 1 1 90 90 PRO CB C 13 32.16 0.05 . 1 . . . . 90 PRO CB . 15298 1 516 . 1 1 91 91 THR H H 1 8.12 0.05 . 1 . . . . 91 THR H . 15298 1 517 . 1 1 91 91 THR HA H 1 4.13 0.05 . 1 . . . . 91 THR HA . 15298 1 518 . 1 1 91 91 THR C C 13 174.41 0.05 . 1 . . . . 91 THR C . 15298 1 519 . 1 1 91 91 THR CA C 13 61.79 0.05 . 1 . . . . 91 THR CA . 15298 1 520 . 1 1 91 91 THR CB C 13 69.78 0.05 . 1 . . . . 91 THR CB . 15298 1 521 . 1 1 91 91 THR N N 15 113.93 0.05 . 1 . . . . 91 THR N . 15298 1 522 . 1 1 92 92 ASP H H 1 8.19 0.05 . 1 . . . . 92 ASP H . 15298 1 523 . 1 1 92 92 ASP HA H 1 4.41 0.05 . 1 . . . . 92 ASP HA . 15298 1 524 . 1 1 92 92 ASP C C 13 175.93 0.05 . 1 . . . . 92 ASP C . 15298 1 525 . 1 1 92 92 ASP CA C 13 54.23 0.05 . 1 . . . . 92 ASP CA . 15298 1 526 . 1 1 92 92 ASP CB C 13 40.98 0.05 . 1 . . . . 92 ASP CB . 15298 1 527 . 1 1 92 92 ASP N N 15 122.24 0.05 . 1 . . . . 92 ASP N . 15298 1 528 . 1 1 93 93 LEU H H 1 7.94 0.05 . 1 . . . . 93 LEU H . 15298 1 529 . 1 1 93 93 LEU HA H 1 4.13 0.05 . 1 . . . . 93 LEU HA . 15298 1 530 . 1 1 93 93 LEU C C 13 177.19 0.05 . 1 . . . . 93 LEU C . 15298 1 531 . 1 1 93 93 LEU CA C 13 54.75 0.05 . 1 . . . . 93 LEU CA . 15298 1 532 . 1 1 93 93 LEU CB C 13 42.38 0.05 . 1 . . . . 93 LEU CB . 15298 1 533 . 1 1 93 93 LEU N N 15 122.32 0.05 . 1 . . . . 93 LEU N . 15298 1 534 . 1 1 94 94 LYS H H 1 8.32 0.05 . 1 . . . . 94 LYS H . 15298 1 535 . 1 1 94 94 LYS HA H 1 4.38 0.05 . 1 . . . . 94 LYS HA . 15298 1 536 . 1 1 94 94 LYS C C 13 174.64 0.05 . 1 . . . . 94 LYS C . 15298 1 537 . 1 1 94 94 LYS CA C 13 54.22 0.05 . 1 . . . . 94 LYS CA . 15298 1 538 . 1 1 94 94 LYS CB C 13 32.4 0.05 . 1 . . . . 94 LYS CB . 15298 1 539 . 1 1 94 94 LYS N N 15 124.34 0.05 . 1 . . . . 94 LYS N . 15298 1 540 . 1 1 95 95 PRO C C 13 177.33 0.05 . 1 . . . . 95 PRO C . 15298 1 541 . 1 1 95 95 PRO CA C 13 63.35 0.05 . 1 . . . . 95 PRO CA . 15298 1 542 . 1 1 95 95 PRO CB C 13 32.05 0.05 . 1 . . . . 95 PRO CB . 15298 1 543 . 1 1 96 96 GLU H H 1 8.54 0.05 . 1 . . . . 96 GLU H . 15298 1 544 . 1 1 96 96 GLU HA H 1 4.01 0.05 . 1 . . . . 96 GLU HA . 15298 1 545 . 1 1 96 96 GLU C C 13 176.79 0.05 . 1 . . . . 96 GLU C . 15298 1 546 . 1 1 96 96 GLU CA C 13 56.66 0.05 . 1 . . . . 96 GLU CA . 15298 1 547 . 1 1 96 96 GLU CB C 13 29.97 0.05 . 1 . . . . 96 GLU CB . 15298 1 548 . 1 1 96 96 GLU N N 15 120.4 0.05 . 1 . . . . 96 GLU N . 15298 1 549 . 1 1 97 97 GLU H H 1 8.21 0.05 . 1 . . . . 97 GLU H . 15298 1 550 . 1 1 97 97 GLU HA H 1 4.12 0.05 . 1 . . . . 97 GLU HA . 15298 1 551 . 1 1 97 97 GLU C C 13 176.45 0.05 . 1 . . . . 97 GLU C . 15298 1 552 . 1 1 97 97 GLU CA C 13 56.25 0.05 . 1 . . . . 97 GLU CA . 15298 1 553 . 1 1 97 97 GLU CB C 13 30.39 0.05 . 1 . . . . 97 GLU CB . 15298 1 554 . 1 1 97 97 GLU N N 15 122.2 0.05 . 1 . . . . 97 GLU N . 15298 1 555 . 1 1 98 98 VAL H H 1 7.99 0.05 . 1 . . . . 98 VAL H . 15298 1 556 . 1 1 98 98 VAL HA H 1 3.86 0.05 . 1 . . . . 98 VAL HA . 15298 1 557 . 1 1 98 98 VAL C C 13 175.99 0.05 . 1 . . . . 98 VAL C . 15298 1 558 . 1 1 98 98 VAL CA C 13 62.16 0.05 . 1 . . . . 98 VAL CA . 15298 1 559 . 1 1 98 98 VAL CB C 13 32.73 0.05 . 1 . . . . 98 VAL CB . 15298 1 560 . 1 1 98 98 VAL N N 15 121.92 0.05 . 1 . . . . 98 VAL N . 15298 1 561 . 1 1 99 99 ALA H H 1 8.29 0.05 . 1 . . . . 99 ALA H . 15298 1 562 . 1 1 99 99 ALA HA H 1 4.07 0.05 . 1 . . . . 99 ALA HA . 15298 1 563 . 1 1 99 99 ALA C C 13 177.79 0.05 . 1 . . . . 99 ALA C . 15298 1 564 . 1 1 99 99 ALA CA C 13 52.37 0.05 . 1 . . . . 99 ALA CA . 15298 1 565 . 1 1 99 99 ALA CB C 13 19.03 0.05 . 1 . . . . 99 ALA CB . 15298 1 566 . 1 1 99 99 ALA N N 15 128.34 0.05 . 1 . . . . 99 ALA N . 15298 1 567 . 1 1 100 100 GLN H H 1 8.26 0.05 . 1 . . . . 100 GLN H . 15298 1 568 . 1 1 100 100 GLN HA H 1 4.08 0.05 . 1 . . . . 100 GLN HA . 15298 1 569 . 1 1 100 100 GLN C C 13 176.18 0.05 . 1 . . . . 100 GLN C . 15298 1 570 . 1 1 100 100 GLN CA C 13 55.61 0.05 . 1 . . . . 100 GLN CA . 15298 1 571 . 1 1 100 100 GLN CB C 13 29.58 0.05 . 1 . . . . 100 GLN CB . 15298 1 572 . 1 1 100 100 GLN N N 15 120.44 0.05 . 1 . . . . 100 GLN N . 15298 1 573 . 1 1 101 101 GLU H H 1 8.35 0.05 . 1 . . . . 101 GLU H . 15298 1 574 . 1 1 101 101 GLU HA H 1 4.04 0.05 . 1 . . . . 101 GLU HA . 15298 1 575 . 1 1 101 101 GLU C C 13 176.23 0.05 . 1 . . . . 101 GLU C . 15298 1 576 . 1 1 101 101 GLU CA C 13 56.21 0.05 . 1 . . . . 101 GLU CA . 15298 1 577 . 1 1 101 101 GLU CB C 13 30.3 0.05 . 1 . . . . 101 GLU CB . 15298 1 578 . 1 1 101 101 GLU N N 15 122.77 0.05 . 1 . . . . 101 GLU N . 15298 1 579 . 1 1 102 102 ALA H H 1 8.26 0.05 . 1 . . . . 102 ALA H . 15298 1 580 . 1 1 102 102 ALA HA H 1 4.09 0.05 . 1 . . . . 102 ALA HA . 15298 1 581 . 1 1 102 102 ALA C C 13 177.39 0.05 . 1 . . . . 102 ALA C . 15298 1 582 . 1 1 102 102 ALA CA C 13 52.12 0.05 . 1 . . . . 102 ALA CA . 15298 1 583 . 1 1 102 102 ALA CB C 13 19.19 0.05 . 1 . . . . 102 ALA CB . 15298 1 584 . 1 1 102 102 ALA N N 15 125.68 0.05 . 1 . . . . 102 ALA N . 15298 1 585 . 1 1 103 103 ALA H H 1 8.17 0.05 . 1 . . . . 103 ALA H . 15298 1 586 . 1 1 103 103 ALA HA H 1 4.09 0.05 . 1 . . . . 103 ALA HA . 15298 1 587 . 1 1 103 103 ALA C C 13 177.75 0.05 . 1 . . . . 103 ALA C . 15298 1 588 . 1 1 103 103 ALA CA C 13 52.06 0.05 . 1 . . . . 103 ALA CA . 15298 1 589 . 1 1 103 103 ALA CB C 13 19.43 0.05 . 1 . . . . 103 ALA CB . 15298 1 590 . 1 1 103 103 ALA N N 15 124.08 0.05 . 1 . . . . 103 ALA N . 15298 1 591 . 1 1 104 104 GLU H H 1 8.23 0.05 . 1 . . . . 104 GLU H . 15298 1 592 . 1 1 104 104 GLU HA H 1 4.06 0.05 . 1 . . . . 104 GLU HA . 15298 1 593 . 1 1 104 104 GLU C C 13 176.35 0.05 . 1 . . . . 104 GLU C . 15298 1 594 . 1 1 104 104 GLU CA C 13 56.06 0.05 . 1 . . . . 104 GLU CA . 15298 1 595 . 1 1 104 104 GLU CB C 13 30.45 0.05 . 1 . . . . 104 GLU CB . 15298 1 596 . 1 1 104 104 GLU N N 15 120.66 0.05 . 1 . . . . 104 GLU N . 15298 1 597 . 1 1 105 105 GLU H H 1 8.33 0.05 . 1 . . . . 105 GLU H . 15298 1 598 . 1 1 105 105 GLU HA H 1 4.06 0.05 . 1 . . . . 105 GLU HA . 15298 1 599 . 1 1 105 105 GLU C C 13 174.57 0.05 . 1 . . . . 105 GLU C . 15298 1 600 . 1 1 105 105 GLU CA C 13 54.24 0.05 . 1 . . . . 105 GLU CA . 15298 1 601 . 1 1 105 105 GLU CB C 13 30.16 0.05 . 1 . . . . 105 GLU CB . 15298 1 602 . 1 1 105 105 GLU N N 15 124.03 0.05 . 1 . . . . 105 GLU N . 15298 1 603 . 1 1 106 106 PRO C C 13 176.63 0.05 . 1 . . . . 106 PRO C . 15298 1 604 . 1 1 106 106 PRO CA C 13 62.86 0.05 . 1 . . . . 106 PRO CA . 15298 1 605 . 1 1 106 106 PRO CB C 13 32.12 0.05 . 1 . . . . 106 PRO CB . 15298 1 606 . 1 1 107 107 LEU H H 1 8.22 0.05 . 1 . . . . 107 LEU H . 15298 1 607 . 1 1 107 107 LEU HA H 1 4.1 0.05 . 1 . . . . 107 LEU HA . 15298 1 608 . 1 1 107 107 LEU C C 13 177.26 0.05 . 1 . . . . 107 LEU C . 15298 1 609 . 1 1 107 107 LEU CA C 13 54.84 0.05 . 1 . . . . 107 LEU CA . 15298 1 610 . 1 1 107 107 LEU CB C 13 42.13 0.05 . 1 . . . . 107 LEU CB . 15298 1 611 . 1 1 107 107 LEU N N 15 123.07 0.05 . 1 . . . . 107 LEU N . 15298 1 612 . 1 1 108 108 ILE H H 1 8.1 0.05 . 1 . . . . 108 ILE H . 15298 1 613 . 1 1 108 108 ILE HA H 1 3.97 0.05 . 1 . . . . 108 ILE HA . 15298 1 614 . 1 1 108 108 ILE C C 13 176.06 0.05 . 1 . . . . 108 ILE C . 15298 1 615 . 1 1 108 108 ILE CA C 13 60.43 0.05 . 1 . . . . 108 ILE CA . 15298 1 616 . 1 1 108 108 ILE CB C 13 38.59 0.05 . 1 . . . . 108 ILE CB . 15298 1 617 . 1 1 108 108 ILE N N 15 123.68 0.05 . 1 . . . . 108 ILE N . 15298 1 618 . 1 1 109 109 GLU H H 1 8.33 0.05 . 1 . . . . 109 GLU H . 15298 1 619 . 1 1 109 109 GLU HA H 1 4.36 0.05 . 1 . . . . 109 GLU HA . 15298 1 620 . 1 1 109 109 GLU C C 13 174.32 0.05 . 1 . . . . 109 GLU C . 15298 1 621 . 1 1 109 109 GLU CA C 13 54.16 0.05 . 1 . . . . 109 GLU CA . 15298 1 622 . 1 1 109 109 GLU CB C 13 29.8 0.05 . 1 . . . . 109 GLU CB . 15298 1 623 . 1 1 109 109 GLU N N 15 127.33 0.05 . 1 . . . . 109 GLU N . 15298 1 624 . 1 1 110 110 PRO C C 13 176.72 0.05 . 1 . . . . 110 PRO C . 15298 1 625 . 1 1 110 110 PRO CA C 13 62.83 0.05 . 1 . . . . 110 PRO CA . 15298 1 626 . 1 1 110 110 PRO CB C 13 32.16 0.05 . 1 . . . . 110 PRO CB . 15298 1 627 . 1 1 111 111 LEU H H 1 8.19 0.05 . 1 . . . . 111 LEU H . 15298 1 628 . 1 1 111 111 LEU HA H 1 4.12 0.05 . 1 . . . . 111 LEU HA . 15298 1 629 . 1 1 111 111 LEU C C 13 177.44 0.05 . 1 . . . . 111 LEU C . 15298 1 630 . 1 1 111 111 LEU CA C 13 54.89 0.05 . 1 . . . . 111 LEU CA . 15298 1 631 . 1 1 111 111 LEU CB C 13 42.2 0.05 . 1 . . . . 111 LEU CB . 15298 1 632 . 1 1 111 111 LEU N N 15 122.59 0.05 . 1 . . . . 111 LEU N . 15298 1 633 . 1 1 112 112 MET H H 1 8.27 0.05 . 1 . . . . 112 MET H . 15298 1 634 . 1 1 112 112 MET HA H 1 4.3 0.05 . 1 . . . . 112 MET HA . 15298 1 635 . 1 1 112 112 MET C C 13 175.97 0.05 . 1 . . . . 112 MET C . 15298 1 636 . 1 1 112 112 MET CA C 13 54.64 0.05 . 1 . . . . 112 MET CA . 15298 1 637 . 1 1 112 112 MET CB C 13 33.01 0.05 . 1 . . . . 112 MET CB . 15298 1 638 . 1 1 112 112 MET N N 15 122.39 0.05 . 1 . . . . 112 MET N . 15298 1 639 . 1 1 113 113 GLU H H 1 8.31 0.05 . 1 . . . . 113 GLU H . 15298 1 640 . 1 1 113 113 GLU HA H 1 4.37 0.05 . 1 . . . . 113 GLU HA . 15298 1 641 . 1 1 113 113 GLU C C 13 174.55 0.05 . 1 . . . . 113 GLU C . 15298 1 642 . 1 1 113 113 GLU CA C 13 54.19 0.05 . 1 . . . . 113 GLU CA . 15298 1 643 . 1 1 113 113 GLU CB C 13 29.64 0.05 . 1 . . . . 113 GLU CB . 15298 1 644 . 1 1 113 113 GLU N N 15 124.05 0.05 . 1 . . . . 113 GLU N . 15298 1 645 . 1 1 114 114 PRO C C 13 177.06 0.05 . 1 . . . . 114 PRO C . 15298 1 646 . 1 1 114 114 PRO CA C 13 63.08 0.05 . 1 . . . . 114 PRO CA . 15298 1 647 . 1 1 114 114 PRO CB C 13 32.13 0.05 . 1 . . . . 114 PRO CB . 15298 1 648 . 1 1 115 115 GLU H H 1 8.43 0.05 . 1 . . . . 115 GLU H . 15298 1 649 . 1 1 115 115 GLU HA H 1 4.06 0.05 . 1 . . . . 115 GLU HA . 15298 1 650 . 1 1 115 115 GLU C C 13 177.17 0.05 . 1 . . . . 115 GLU C . 15298 1 651 . 1 1 115 115 GLU CA C 13 56.55 0.05 . 1 . . . . 115 GLU CA . 15298 1 652 . 1 1 115 115 GLU CB C 13 30.39 0.05 . 1 . . . . 115 GLU CB . 15298 1 653 . 1 1 115 115 GLU N N 15 121.6 0.05 . 1 . . . . 115 GLU N . 15298 1 654 . 1 1 116 116 GLY H H 1 8.28 0.05 . 1 . . . . 116 GLY H . 15298 1 655 . 1 1 116 116 GLY HA2 H 1 3.75 0.05 . 2 . . . . 116 GLY HA2 . 15298 1 656 . 1 1 116 116 GLY C C 13 173.98 0.05 . 1 . . . . 116 GLY C . 15298 1 657 . 1 1 116 116 GLY CA C 13 45.05 0.05 . 1 . . . . 116 GLY CA . 15298 1 658 . 1 1 116 116 GLY N N 15 110.1 0.05 . 1 . . . . 116 GLY N . 15298 1 659 . 1 1 117 117 GLU H H 1 8.16 0.05 . 1 . . . . 117 GLU H . 15298 1 660 . 1 1 117 117 GLU HA H 1 4.05 0.05 . 1 . . . . 117 GLU HA . 15298 1 661 . 1 1 117 117 GLU C C 13 176.44 0.05 . 1 . . . . 117 GLU C . 15298 1 662 . 1 1 117 117 GLU CA C 13 56.31 0.05 . 1 . . . . 117 GLU CA . 15298 1 663 . 1 1 117 117 GLU CB C 13 30.47 0.05 . 1 . . . . 117 GLU CB . 15298 1 664 . 1 1 117 117 GLU N N 15 120.42 0.05 . 1 . . . . 117 GLU N . 15298 1 665 . 1 1 118 118 SER H H 1 8.22 0.05 . 1 . . . . 118 SER H . 15298 1 666 . 1 1 118 118 SER HA H 1 4.23 0.05 . 1 . . . . 118 SER HA . 15298 1 667 . 1 1 118 118 SER C C 13 174.02 0.05 . 1 . . . . 118 SER C . 15298 1 668 . 1 1 118 118 SER CA C 13 57.8 0.05 . 1 . . . . 118 SER CA . 15298 1 669 . 1 1 118 118 SER CB C 13 63.81 0.05 . 1 . . . . 118 SER CB . 15298 1 670 . 1 1 118 118 SER N N 15 116.99 0.05 . 1 . . . . 118 SER N . 15298 1 671 . 1 1 119 119 TYR H H 1 8.17 0.05 . 1 . . . . 119 TYR H . 15298 1 672 . 1 1 119 119 TYR HA H 1 4.38 0.05 . 1 . . . . 119 TYR HA . 15298 1 673 . 1 1 119 119 TYR C C 13 175.48 0.05 . 1 . . . . 119 TYR C . 15298 1 674 . 1 1 119 119 TYR CA C 13 57.76 0.05 . 1 . . . . 119 TYR CA . 15298 1 675 . 1 1 119 119 TYR CB C 13 39.07 0.05 . 1 . . . . 119 TYR CB . 15298 1 676 . 1 1 119 119 TYR N N 15 122.88 0.05 . 1 . . . . 119 TYR N . 15298 1 677 . 1 1 120 120 GLU H H 1 7.97 0.05 . 1 . . . . 120 GLU H . 15298 1 678 . 1 1 120 120 GLU HA H 1 4.07 0.05 . 1 . . . . 120 GLU HA . 15298 1 679 . 1 1 120 120 GLU C C 13 175.5 0.05 . 1 . . . . 120 GLU C . 15298 1 680 . 1 1 120 120 GLU CA C 13 55.62 0.05 . 1 . . . . 120 GLU CA . 15298 1 681 . 1 1 120 120 GLU CB C 13 31.01 0.05 . 1 . . . . 120 GLU CB . 15298 1 682 . 1 1 120 120 GLU N N 15 123.06 0.05 . 1 . . . . 120 GLU N . 15298 1 683 . 1 1 121 121 ASP H H 1 8.27 0.05 . 1 . . . . 121 ASP H . 15298 1 684 . 1 1 121 121 ASP HA H 1 4.11 0.05 . 1 . . . . 121 ASP HA . 15298 1 685 . 1 1 121 121 ASP C C 13 173.8 0.05 . 1 . . . . 121 ASP C . 15298 1 686 . 1 1 121 121 ASP CA C 13 52.74 0.05 . 1 . . . . 121 ASP CA . 15298 1 687 . 1 1 121 121 ASP CB C 13 40.38 0.05 . 1 . . . . 121 ASP CB . 15298 1 688 . 1 1 121 121 ASP N N 15 123.46 0.05 . 1 . . . . 121 ASP N . 15298 1 689 . 1 1 123 123 PRO C C 13 177.01 0.05 . 1 . . . . 123 PRO C . 15298 1 690 . 1 1 123 123 PRO CA C 13 62.75 0.05 . 1 . . . . 123 PRO CA . 15298 1 691 . 1 1 123 123 PRO CB C 13 32.07 0.05 . 1 . . . . 123 PRO CB . 15298 1 692 . 1 1 124 124 GLN H H 1 8.38 0.05 . 1 . . . . 124 GLN H . 15298 1 693 . 1 1 124 124 GLN HA H 1 4.08 0.05 . 1 . . . . 124 GLN HA . 15298 1 694 . 1 1 124 124 GLN C C 13 176.16 0.05 . 1 . . . . 124 GLN C . 15298 1 695 . 1 1 124 124 GLN CA C 13 55.48 0.05 . 1 . . . . 124 GLN CA . 15298 1 696 . 1 1 124 124 GLN CB C 13 29.62 0.05 . 1 . . . . 124 GLN CB . 15298 1 697 . 1 1 124 124 GLN N N 15 121.12 0.05 . 1 . . . . 124 GLN N . 15298 1 698 . 1 1 125 125 GLU H H 1 8.37 0.05 . 1 . . . . 125 GLU H . 15298 1 699 . 1 1 125 125 GLU HA H 1 4.04 0.05 . 1 . . . . 125 GLU HA . 15298 1 700 . 1 1 125 125 GLU C C 13 176.26 0.05 . 1 . . . . 125 GLU C . 15298 1 701 . 1 1 125 125 GLU CA C 13 56.13 0.05 . 1 . . . . 125 GLU CA . 15298 1 702 . 1 1 125 125 GLU CB C 13 30.44 0.05 . 1 . . . . 125 GLU CB . 15298 1 703 . 1 1 125 125 GLU N N 15 122.94 0.05 . 1 . . . . 125 GLU N . 15298 1 704 . 1 1 126 126 GLU H H 1 8.33 0.05 . 1 . . . . 126 GLU H . 15298 1 705 . 1 1 126 126 GLU HA H 1 4.04 0.05 . 1 . . . . 126 GLU HA . 15298 1 706 . 1 1 126 126 GLU C C 13 176.06 0.05 . 1 . . . . 126 GLU C . 15298 1 707 . 1 1 126 126 GLU CA C 13 56.39 0.05 . 1 . . . . 126 GLU CA . 15298 1 708 . 1 1 126 126 GLU CB C 13 30.44 0.05 . 1 . . . . 126 GLU CB . 15298 1 709 . 1 1 126 126 GLU N N 15 122.39 0.05 . 1 . . . . 126 GLU N . 15298 1 710 . 1 1 127 127 TYR H H 1 8.22 0.05 . 1 . . . . 127 TYR H . 15298 1 711 . 1 1 127 127 TYR C C 13 175.42 0.05 . 1 . . . . 127 TYR C . 15298 1 712 . 1 1 127 127 TYR CA C 13 57.93 0.05 . 1 . . . . 127 TYR CA . 15298 1 713 . 1 1 127 127 TYR CB C 13 38.79 0.05 . 1 . . . . 127 TYR CB . 15298 1 714 . 1 1 127 127 TYR N N 15 122.46 0.05 . 1 . . . . 127 TYR N . 15298 1 715 . 1 1 128 128 GLN H H 1 7.98 0.05 . 1 . . . . 128 GLN H . 15298 1 716 . 1 1 128 128 GLN HA H 1 4.05 0.05 . 1 . . . . 128 GLN HA . 15298 1 717 . 1 1 128 128 GLN C C 13 174.89 0.05 . 1 . . . . 128 GLN C . 15298 1 718 . 1 1 128 128 GLN CA C 13 54.82 0.05 . 1 . . . . 128 GLN CA . 15298 1 719 . 1 1 128 128 GLN CB C 13 29.98 0.05 . 1 . . . . 128 GLN CB . 15298 1 720 . 1 1 128 128 GLN N N 15 123.69 0.05 . 1 . . . . 128 GLN N . 15298 1 721 . 1 1 129 129 GLU H H 1 8.19 0.05 . 1 . . . . 129 GLU H . 15298 1 722 . 1 1 129 129 GLU HA H 1 3.94 0.05 . 1 . . . . 129 GLU HA . 15298 1 723 . 1 1 129 129 GLU C C 13 175.93 0.05 . 1 . . . . 129 GLU C . 15298 1 724 . 1 1 129 129 GLU CA C 13 56.18 0.05 . 1 . . . . 129 GLU CA . 15298 1 725 . 1 1 129 129 GLU CB C 13 30.35 0.05 . 1 . . . . 129 GLU CB . 15298 1 726 . 1 1 129 129 GLU N N 15 122.91 0.05 . 1 . . . . 129 GLU N . 15298 1 727 . 1 1 130 130 TYR H H 1 8.11 0.05 . 1 . . . . 130 TYR H . 15298 1 728 . 1 1 130 130 TYR HA H 1 4.36 0.05 . 1 . . . . 130 TYR HA . 15298 1 729 . 1 1 130 130 TYR C C 13 175.18 0.05 . 1 . . . . 130 TYR C . 15298 1 730 . 1 1 130 130 TYR CA C 13 57.53 0.05 . 1 . . . . 130 TYR CA . 15298 1 731 . 1 1 130 130 TYR CB C 13 39.15 0.05 . 1 . . . . 130 TYR CB . 15298 1 732 . 1 1 130 130 TYR N N 15 121.9 0.05 . 1 . . . . 130 TYR N . 15298 1 733 . 1 1 131 131 GLU H H 1 8.14 0.05 . 1 . . . . 131 GLU H . 15298 1 734 . 1 1 131 131 GLU HA H 1 4.33 0.05 . 1 . . . . 131 GLU HA . 15298 1 735 . 1 1 131 131 GLU C C 13 173.78 0.05 . 1 . . . . 131 GLU C . 15298 1 736 . 1 1 131 131 GLU CA C 13 53.47 0.05 . 1 . . . . 131 GLU CA . 15298 1 737 . 1 1 131 131 GLU CB C 13 30.21 0.05 . 1 . . . . 131 GLU CB . 15298 1 738 . 1 1 131 131 GLU N N 15 125.47 0.05 . 1 . . . . 131 GLU N . 15298 1 739 . 1 1 132 132 PRO C C 13 176.98 0.05 . 1 . . . . 132 PRO C . 15298 1 740 . 1 1 132 132 PRO CA C 13 62.88 0.05 . 1 . . . . 132 PRO CA . 15298 1 741 . 1 1 132 132 PRO CB C 13 32.2 0.05 . 1 . . . . 132 PRO CB . 15298 1 742 . 1 1 133 133 GLU H H 1 8.36 0.05 . 1 . . . . 133 GLU H . 15298 1 743 . 1 1 133 133 GLU HA H 1 4 0.05 . 1 . . . . 133 GLU HA . 15298 1 744 . 1 1 133 133 GLU C C 13 175.54 0.05 . 1 . . . . 133 GLU C . 15298 1 745 . 1 1 133 133 GLU CA C 13 56.47 0.05 . 1 . . . . 133 GLU CA . 15298 1 746 . 1 1 133 133 GLU CB C 13 30.29 0.05 . 1 . . . . 133 GLU CB . 15298 1 747 . 1 1 133 133 GLU N N 15 121.51 0.05 . 1 . . . . 133 GLU N . 15298 1 748 . 1 1 134 134 ALA H H 1 7.84 0.05 . 1 . . . . 134 ALA H . 15298 1 749 . 1 1 134 134 ALA HA H 1 3.89 0.05 . 1 . . . . 134 ALA HA . 15298 1 750 . 1 1 134 134 ALA C C 13 173.99 0.05 . 1 . . . . 134 ALA C . 15298 1 751 . 1 1 134 134 ALA CA C 13 53.79 0.05 . 1 . . . . 134 ALA CA . 15298 1 752 . 1 1 134 134 ALA CB C 13 20.08 0.05 . 1 . . . . 134 ALA CB . 15298 1 753 . 1 1 134 134 ALA N N 15 130.8 0.05 . 1 . . . . 134 ALA N . 15298 1 stop_ save_