data_7244 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7244 _Entry.Title ; 1H, 15N, 13C', 13CA and 13CB Chemical Shift Assignments of intrinsically disordered gamma-synuclein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-07-25 _Entry.Accession_date 2006-07-25 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Joseph Marsh . A. . 7244 2 Vinay Singh . K. . 7244 3 Jia Zongchao . . . 7244 4 Julie Forman-Kay . D. . 7244 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7244 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 364 7244 '15N chemical shifts' 125 7244 '1H chemical shifts' 125 7244 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 . . 2008-07-16 2006-07-25 update BMRB 'complete entry citation' 7244 1 . . 2006-11-06 2006-07-25 original author 'original release' 7244 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7244 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17088319 _Citation.Full_citation . _Citation.Title ; Sensitivity of secondary structure propensities to sequence differences between a- and g-synuclein: Implications for fibrillation ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full . _Citation.Journal_volume 15 _Citation.Journal_issue 12 _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 2795 _Citation.Page_last 2804 _Citation.Year 2006 _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 Joseph Marsh . A. . 7244 1 2 Vinay Singh . K. . 7244 1 3 Jia Zongchao . . . 7244 1 4 Julie Forman-Kay . D. . 7244 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7244 _Assembly.ID 1 _Assembly.Name 'gamma-synuclein monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID protein 7244 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'gamma-synuclein monomer' 1 $gamma-synuclein_polypeptide . . yes unfolded no no . . . 7244 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_gamma-synuclein_polypeptide _Entity.Sf_category entity _Entity.Sf_framecode gamma-synuclein_polypeptide _Entity.Entry_ID 7244 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name gamma-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 ; MDVFKKGFSIAKEGVVGAVE KTKQGVTEAAEKTKEGVMYV GAKTKENVVQSVTSVAEKTK EQANAVSEAVVSSVNTVATK TVEEAENIAVTSGVVRKEDL RPSAPQQEGEASKEKEEVAE EAQSGGD ; _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 127 _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 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no DBJ BAD97087 . "synuclein, gamma (breast cancer-specific protein 1) variant [Homo sapiens]" . . . . . 100.00 127 100.00 100.00 9.21e-78 . . . . 7244 1 2 no DBJ BAG35077 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 127 100.00 100.00 9.21e-78 . . . . 7244 1 3 no DBJ BAG73792 . "synuclein, gamma [synthetic construct]" . . . . . 100.00 127 100.00 100.00 9.21e-78 . . . . 7244 1 4 no EMBL CAG46587 . "SNCG [Homo sapiens]" . . . . . 100.00 127 100.00 100.00 9.21e-78 . . . . 7244 1 5 no EMBL CAG46589 . "SNCG [Homo sapiens]" . . . . . 100.00 127 100.00 100.00 9.21e-78 . . . . 7244 1 6 no GB AAB64109 . "BCSG1 protein [Homo sapiens]" . . . . . 100.00 127 98.43 100.00 1.70e-76 . . . . 7244 1 7 no GB AAC27738 . "gamma-synuclein [Homo sapiens]" . . . . . 100.00 127 99.21 99.21 1.55e-76 . . . . 7244 1 8 no GB AAC36550 . "persyn [Homo sapiens]" . . . . . 100.00 127 99.21 99.21 1.55e-76 . . . . 7244 1 9 no GB AAC36586 . "persyn [Homo sapiens]" . . . . . 100.00 127 99.21 99.21 1.55e-76 . . . . 7244 1 10 no GB AAH14098 . "Synuclein, gamma (breast cancer-specific protein 1) [Homo sapiens]" . . . . . 100.00 127 100.00 100.00 9.21e-78 . . . . 7244 1 11 no REF NP_003078 . "gamma-synuclein [Homo sapiens]" . . . . . 100.00 127 100.00 100.00 9.21e-78 . . . . 7244 1 12 no REF XP_002820773 . "PREDICTED: gamma-synuclein [Pongo abelii]" . . . . . 100.00 127 97.64 100.00 6.93e-76 . . . . 7244 1 13 no REF XP_003828245 . "PREDICTED: gamma-synuclein isoform X5 [Pan paniscus]" . . . . . 100.00 127 99.21 100.00 5.16e-77 . . . . 7244 1 14 no REF XP_003951754 . "PREDICTED: gamma-synuclein isoform X2 [Pan troglodytes]" . . . . . 100.00 127 99.21 100.00 5.16e-77 . . . . 7244 1 15 no REF XP_004049763 . "PREDICTED: gamma-synuclein isoform 1 [Gorilla gorilla gorilla]" . . . . . 100.00 127 97.64 99.21 9.00e-76 . . . . 7244 1 16 no SP O76070 . "RecName: Full=Gamma-synuclein; AltName: Full=Breast cancer-specific gene 1 protein; AltName: Full=Persyn; AltName: Full=Synoret" . . . . . 100.00 127 100.00 100.00 9.21e-78 . . . . 7244 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 . 7244 1 2 . ASP . 7244 1 3 . VAL . 7244 1 4 . PHE . 7244 1 5 . LYS . 7244 1 6 . LYS . 7244 1 7 . GLY . 7244 1 8 . PHE . 7244 1 9 . SER . 7244 1 10 . ILE . 7244 1 11 . ALA . 7244 1 12 . LYS . 7244 1 13 . GLU . 7244 1 14 . GLY . 7244 1 15 . VAL . 7244 1 16 . VAL . 7244 1 17 . GLY . 7244 1 18 . ALA . 7244 1 19 . VAL . 7244 1 20 . GLU . 7244 1 21 . LYS . 7244 1 22 . THR . 7244 1 23 . LYS . 7244 1 24 . GLN . 7244 1 25 . GLY . 7244 1 26 . VAL . 7244 1 27 . THR . 7244 1 28 . GLU . 7244 1 29 . ALA . 7244 1 30 . ALA . 7244 1 31 . GLU . 7244 1 32 . LYS . 7244 1 33 . THR . 7244 1 34 . LYS . 7244 1 35 . GLU . 7244 1 36 . GLY . 7244 1 37 . VAL . 7244 1 38 . MET . 7244 1 39 . TYR . 7244 1 40 . VAL . 7244 1 41 . GLY . 7244 1 42 . ALA . 7244 1 43 . LYS . 7244 1 44 . THR . 7244 1 45 . LYS . 7244 1 46 . GLU . 7244 1 47 . ASN . 7244 1 48 . VAL . 7244 1 49 . VAL . 7244 1 50 . GLN . 7244 1 51 . SER . 7244 1 52 . VAL . 7244 1 53 . THR . 7244 1 54 . SER . 7244 1 55 . VAL . 7244 1 56 . ALA . 7244 1 57 . GLU . 7244 1 58 . LYS . 7244 1 59 . THR . 7244 1 60 . LYS . 7244 1 61 . GLU . 7244 1 62 . GLN . 7244 1 63 . ALA . 7244 1 64 . ASN . 7244 1 65 . ALA . 7244 1 66 . VAL . 7244 1 67 . SER . 7244 1 68 . GLU . 7244 1 69 . ALA . 7244 1 70 . VAL . 7244 1 71 . VAL . 7244 1 72 . SER . 7244 1 73 . SER . 7244 1 74 . VAL . 7244 1 75 . ASN . 7244 1 76 . THR . 7244 1 77 . VAL . 7244 1 78 . ALA . 7244 1 79 . THR . 7244 1 80 . LYS . 7244 1 81 . THR . 7244 1 82 . VAL . 7244 1 83 . GLU . 7244 1 84 . GLU . 7244 1 85 . ALA . 7244 1 86 . GLU . 7244 1 87 . ASN . 7244 1 88 . ILE . 7244 1 89 . ALA . 7244 1 90 . VAL . 7244 1 91 . THR . 7244 1 92 . SER . 7244 1 93 . GLY . 7244 1 94 . VAL . 7244 1 95 . VAL . 7244 1 96 . ARG . 7244 1 97 . LYS . 7244 1 98 . GLU . 7244 1 99 . ASP . 7244 1 100 . LEU . 7244 1 101 . ARG . 7244 1 102 . PRO . 7244 1 103 . SER . 7244 1 104 . ALA . 7244 1 105 . PRO . 7244 1 106 . GLN . 7244 1 107 . GLN . 7244 1 108 . GLU . 7244 1 109 . GLY . 7244 1 110 . GLU . 7244 1 111 . ALA . 7244 1 112 . SER . 7244 1 113 . LYS . 7244 1 114 . GLU . 7244 1 115 . LYS . 7244 1 116 . GLU . 7244 1 117 . GLU . 7244 1 118 . VAL . 7244 1 119 . ALA . 7244 1 120 . GLU . 7244 1 121 . GLU . 7244 1 122 . ALA . 7244 1 123 . GLN . 7244 1 124 . SER . 7244 1 125 . GLY . 7244 1 126 . GLY . 7244 1 127 . ASP . 7244 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 7244 1 . ASP 2 2 7244 1 . VAL 3 3 7244 1 . PHE 4 4 7244 1 . LYS 5 5 7244 1 . LYS 6 6 7244 1 . GLY 7 7 7244 1 . PHE 8 8 7244 1 . SER 9 9 7244 1 . ILE 10 10 7244 1 . ALA 11 11 7244 1 . LYS 12 12 7244 1 . GLU 13 13 7244 1 . GLY 14 14 7244 1 . VAL 15 15 7244 1 . VAL 16 16 7244 1 . GLY 17 17 7244 1 . ALA 18 18 7244 1 . VAL 19 19 7244 1 . GLU 20 20 7244 1 . LYS 21 21 7244 1 . THR 22 22 7244 1 . LYS 23 23 7244 1 . GLN 24 24 7244 1 . GLY 25 25 7244 1 . VAL 26 26 7244 1 . THR 27 27 7244 1 . GLU 28 28 7244 1 . ALA 29 29 7244 1 . ALA 30 30 7244 1 . GLU 31 31 7244 1 . LYS 32 32 7244 1 . THR 33 33 7244 1 . LYS 34 34 7244 1 . GLU 35 35 7244 1 . GLY 36 36 7244 1 . VAL 37 37 7244 1 . MET 38 38 7244 1 . TYR 39 39 7244 1 . VAL 40 40 7244 1 . GLY 41 41 7244 1 . ALA 42 42 7244 1 . LYS 43 43 7244 1 . THR 44 44 7244 1 . LYS 45 45 7244 1 . GLU 46 46 7244 1 . ASN 47 47 7244 1 . VAL 48 48 7244 1 . VAL 49 49 7244 1 . GLN 50 50 7244 1 . SER 51 51 7244 1 . VAL 52 52 7244 1 . THR 53 53 7244 1 . SER 54 54 7244 1 . VAL 55 55 7244 1 . ALA 56 56 7244 1 . GLU 57 57 7244 1 . LYS 58 58 7244 1 . THR 59 59 7244 1 . LYS 60 60 7244 1 . GLU 61 61 7244 1 . GLN 62 62 7244 1 . ALA 63 63 7244 1 . ASN 64 64 7244 1 . ALA 65 65 7244 1 . VAL 66 66 7244 1 . SER 67 67 7244 1 . GLU 68 68 7244 1 . ALA 69 69 7244 1 . VAL 70 70 7244 1 . VAL 71 71 7244 1 . SER 72 72 7244 1 . SER 73 73 7244 1 . VAL 74 74 7244 1 . ASN 75 75 7244 1 . THR 76 76 7244 1 . VAL 77 77 7244 1 . ALA 78 78 7244 1 . THR 79 79 7244 1 . LYS 80 80 7244 1 . THR 81 81 7244 1 . VAL 82 82 7244 1 . GLU 83 83 7244 1 . GLU 84 84 7244 1 . ALA 85 85 7244 1 . GLU 86 86 7244 1 . ASN 87 87 7244 1 . ILE 88 88 7244 1 . ALA 89 89 7244 1 . VAL 90 90 7244 1 . THR 91 91 7244 1 . SER 92 92 7244 1 . GLY 93 93 7244 1 . VAL 94 94 7244 1 . VAL 95 95 7244 1 . ARG 96 96 7244 1 . LYS 97 97 7244 1 . GLU 98 98 7244 1 . ASP 99 99 7244 1 . LEU 100 100 7244 1 . ARG 101 101 7244 1 . PRO 102 102 7244 1 . SER 103 103 7244 1 . ALA 104 104 7244 1 . PRO 105 105 7244 1 . GLN 106 106 7244 1 . GLN 107 107 7244 1 . GLU 108 108 7244 1 . GLY 109 109 7244 1 . GLU 110 110 7244 1 . ALA 111 111 7244 1 . SER 112 112 7244 1 . LYS 113 113 7244 1 . GLU 114 114 7244 1 . LYS 115 115 7244 1 . GLU 116 116 7244 1 . GLU 117 117 7244 1 . VAL 118 118 7244 1 . ALA 119 119 7244 1 . GLU 120 120 7244 1 . GLU 121 121 7244 1 . ALA 122 122 7244 1 . GLN 123 123 7244 1 . SER 124 124 7244 1 . GLY 125 125 7244 1 . GLY 126 126 7244 1 . ASP 127 127 7244 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 7244 _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 $gamma-synuclein_polypeptide . 9606 . no . Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 7244 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 7244 _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 $gamma-synuclein_polypeptide . 'recombinant technology' . 'E. coli' . . Escherichia coli BL21 . . . . . . . . . . . . . . . . . . . . . . 7244 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7244 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 gamma-synuclein '[U-13C; U-15N]' . . 1 $gamma-synuclein_polypeptide . protein 0.35 . . mM . . . . 7244 1 2 NaCl . . . . . . salt 137 . . mM . . . . 7244 1 3 KCl . . . . . . salt 2.7 . . mM . . . . 7244 1 4 Na2HPO4 . . . . . . buffer 10 . . mM . . . . 7244 1 5 K2HPO4 . . . . . . buffer 2.4 . . mM . . . . 7244 1 6 D20 . . . . . . . 10 . . % . . . . 7244 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 7244 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.4 0.05 pH 7244 1 temperature 278 0.2 K 7244 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_800MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 800MHz_spectrometer _NMR_spectrometer.Entry_ID 7244 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 7244 _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 HNCACB no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $800MHz_spectrometer . . . . . . . . . . . . . . . . 7244 1 2 HNCO no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $800MHz_spectrometer . . . . . . . . . . . . . . . . 7244 1 stop_ save_ save_HNCACB _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCACB _NMR_spec_expt.Entry_ID 7244 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $800MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNCO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCO _NMR_spec_expt.Entry_ID 7244 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $800MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 7244 _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 0.0 . indirect 0.251449530 . . . . . . . . . 7244 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 7244 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 7244 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7244 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 $sample_1 isotropic 7244 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET H H 1 8.80 0.05 . 1 . . . . 1 MET HN . 7244 1 2 . 1 1 1 1 MET C C 13 176.28 0.05 . 1 . . . . 1 MET CO . 7244 1 3 . 1 1 1 1 MET CA C 13 55.44 0.05 . 1 . . . . 1 MET CA . 7244 1 4 . 1 1 1 1 MET CB C 13 32.21 0.05 . 1 . . . . 1 MET CB . 7244 1 5 . 1 1 1 1 MET N N 15 121.75 0.05 . 1 . . . . 1 MET N . 7244 1 6 . 1 1 2 2 ASP H H 1 8.57 0.05 . 1 . . . . 2 ASP HN . 7244 1 7 . 1 1 2 2 ASP C C 13 176.39 0.05 . 1 . . . . 2 ASP CO . 7244 1 8 . 1 1 2 2 ASP CA C 13 54.79 0.05 . 1 . . . . 2 ASP CA . 7244 1 9 . 1 1 2 2 ASP CB C 13 41.03 0.05 . 1 . . . . 2 ASP CB . 7244 1 10 . 1 1 2 2 ASP N N 15 124.32 0.05 . 1 . . . . 2 ASP N . 7244 1 11 . 1 1 3 3 VAL H H 1 8.08 0.05 . 1 . . . . 3 VAL HN . 7244 1 12 . 1 1 3 3 VAL C C 13 176.10 0.05 . 1 . . . . 3 VAL CO . 7244 1 13 . 1 1 3 3 VAL CA C 13 62.66 0.05 . 1 . . . . 3 VAL CA . 7244 1 14 . 1 1 3 3 VAL CB C 13 32.56 0.05 . 1 . . . . 3 VAL CB . 7244 1 15 . 1 1 3 3 VAL N N 15 119.71 0.05 . 1 . . . . 3 VAL N . 7244 1 16 . 1 1 4 4 PHE H H 1 8.37 0.05 . 1 . . . . 4 PHE HN . 7244 1 17 . 1 1 4 4 PHE C C 13 175.81 0.05 . 1 . . . . 4 PHE CO . 7244 1 18 . 1 1 4 4 PHE CA C 13 57.95 0.05 . 1 . . . . 4 PHE CA . 7244 1 19 . 1 1 4 4 PHE CB C 13 39.42 0.05 . 1 . . . . 4 PHE CB . 7244 1 20 . 1 1 4 4 PHE N N 15 123.29 0.05 . 1 . . . . 4 PHE N . 7244 1 21 . 1 1 5 5 LYS H H 1 8.24 0.05 . 1 . . . . 5 LYS HN . 7244 1 22 . 1 1 5 5 LYS C C 13 176.19 0.05 . 1 . . . . 5 LYS CO . 7244 1 23 . 1 1 5 5 LYS CA C 13 56.20 0.05 . 1 . . . . 5 LYS CA . 7244 1 24 . 1 1 5 5 LYS CB C 13 33.16 0.05 . 1 . . . . 5 LYS CB . 7244 1 25 . 1 1 5 5 LYS N N 15 123.59 0.05 . 1 . . . . 5 LYS N . 7244 1 26 . 1 1 6 6 LYS H H 1 8.49 0.05 . 1 . . . . 6 LYS HN . 7244 1 27 . 1 1 6 6 LYS C C 13 177.23 0.05 . 1 . . . . 6 LYS CO . 7244 1 28 . 1 1 6 6 LYS CA C 13 56.99 0.05 . 1 . . . . 6 LYS CA . 7244 1 29 . 1 1 6 6 LYS CB C 13 32.92 0.05 . 1 . . . . 6 LYS CB . 7244 1 30 . 1 1 6 6 LYS N N 15 123.42 0.05 . 1 . . . . 6 LYS N . 7244 1 31 . 1 1 7 7 GLY H H 1 8.62 0.05 . 1 . . . . 7 GLY HN . 7244 1 32 . 1 1 7 7 GLY C C 13 173.80 0.05 . 1 . . . . 7 GLY CO . 7244 1 33 . 1 1 7 7 GLY CA C 13 45.10 0.05 . 1 . . . . 7 GLY CA . 7244 1 34 . 1 1 7 7 GLY N N 15 110.71 0.05 . 1 . . . . 7 GLY N . 7244 1 35 . 1 1 8 8 PHE H H 1 8.23 0.05 . 1 . . . . 8 PHE HN . 7244 1 36 . 1 1 8 8 PHE C C 13 175.71 0.05 . 1 . . . . 8 PHE CO . 7244 1 37 . 1 1 8 8 PHE CA C 13 57.91 0.05 . 1 . . . . 8 PHE CA . 7244 1 38 . 1 1 8 8 PHE CB C 13 40.03 0.05 . 1 . . . . 8 PHE CB . 7244 1 39 . 1 1 8 8 PHE N N 15 120.29 0.05 . 1 . . . . 8 PHE N . 7244 1 40 . 1 1 9 9 SER H H 1 8.37 0.05 . 1 . . . . 9 SER HN . 7244 1 41 . 1 1 9 9 SER C C 13 173.99 0.05 . 1 . . . . 9 SER CO . 7244 1 42 . 1 1 9 9 SER CA C 13 57.94 0.05 . 1 . . . . 9 SER CA . 7244 1 43 . 1 1 9 9 SER CB C 13 64.05 0.05 . 1 . . . . 9 SER CB . 7244 1 44 . 1 1 9 9 SER N N 15 118.23 0.05 . 1 . . . . 9 SER N . 7244 1 45 . 1 1 10 10 ILE H H 1 8.35 0.05 . 1 . . . . 10 ILE HN . 7244 1 46 . 1 1 10 10 ILE C C 13 176.04 0.05 . 1 . . . . 10 ILE CO . 7244 1 47 . 1 1 10 10 ILE CA C 13 61.17 0.05 . 1 . . . . 10 ILE CA . 7244 1 48 . 1 1 10 10 ILE CB C 13 38.88 0.05 . 1 . . . . 10 ILE CB . 7244 1 49 . 1 1 10 10 ILE N N 15 123.06 0.05 . 1 . . . . 10 ILE N . 7244 1 50 . 1 1 11 11 ALA H H 1 8.52 0.05 . 1 . . . . 11 ALA HN . 7244 1 51 . 1 1 11 11 ALA C C 13 177.73 0.05 . 1 . . . . 11 ALA CO . 7244 1 52 . 1 1 11 11 ALA CA C 13 52.54 0.05 . 1 . . . . 11 ALA CA . 7244 1 53 . 1 1 11 11 ALA CB C 13 19.20 0.05 . 1 . . . . 11 ALA CB . 7244 1 54 . 1 1 11 11 ALA N N 15 128.65 0.05 . 1 . . . . 11 ALA N . 7244 1 55 . 1 1 12 12 LYS H H 1 8.51 0.05 . 1 . . . . 12 LYS HN . 7244 1 56 . 1 1 12 12 LYS C C 13 176.69 0.05 . 1 . . . . 12 LYS CO . 7244 1 57 . 1 1 12 12 LYS CA C 13 56.35 0.05 . 1 . . . . 12 LYS CA . 7244 1 58 . 1 1 12 12 LYS CB C 13 33.13 0.05 . 1 . . . . 12 LYS CB . 7244 1 59 . 1 1 12 12 LYS N N 15 121.68 0.05 . 1 . . . . 12 LYS N . 7244 1 60 . 1 1 13 13 GLU H H 1 8.64 0.05 . 1 . . . . 13 GLU HN . 7244 1 61 . 1 1 13 13 GLU C C 13 177.03 0.05 . 1 . . . . 13 GLU CO . 7244 1 62 . 1 1 13 13 GLU CA C 13 56.72 0.05 . 1 . . . . 13 GLU CA . 7244 1 63 . 1 1 13 13 GLU CB C 13 30.27 0.05 . 1 . . . . 13 GLU CB . 7244 1 64 . 1 1 13 13 GLU N N 15 122.45 0.05 . 1 . . . . 13 GLU N . 7244 1 65 . 1 1 14 14 GLY H H 1 8.62 0.05 . 1 . . . . 14 GLY HN . 7244 1 66 . 1 1 14 14 GLY C C 13 173.91 0.05 . 1 . . . . 14 GLY CO . 7244 1 67 . 1 1 14 14 GLY CA C 13 45.21 0.05 . 1 . . . . 14 GLY CA . 7244 1 68 . 1 1 14 14 GLY N N 15 110.50 0.05 . 1 . . . . 14 GLY N . 7244 1 69 . 1 1 15 15 VAL H H 1 8.18 0.05 . 1 . . . . 15 VAL HN . 7244 1 70 . 1 1 15 15 VAL C C 13 176.55 0.05 . 1 . . . . 15 VAL CO . 7244 1 71 . 1 1 15 15 VAL CA C 13 62.39 0.05 . 1 . . . . 15 VAL CA . 7244 1 72 . 1 1 15 15 VAL CB C 13 32.79 0.05 . 1 . . . . 15 VAL CB . 7244 1 73 . 1 1 15 15 VAL N N 15 120.37 0.05 . 1 . . . . 15 VAL N . 7244 1 74 . 1 1 16 16 VAL H H 1 8.56 0.05 . 1 . . . . 16 VAL HN . 7244 1 75 . 1 1 16 16 VAL C C 13 176.84 0.05 . 1 . . . . 16 VAL CO . 7244 1 76 . 1 1 16 16 VAL CA C 13 62.84 0.05 . 1 . . . . 16 VAL CA . 7244 1 77 . 1 1 16 16 VAL CB C 13 32.64 0.05 . 1 . . . . 16 VAL CB . 7244 1 78 . 1 1 16 16 VAL N N 15 126.05 0.05 . 1 . . . . 16 VAL N . 7244 1 79 . 1 1 17 17 GLY H H 1 8.74 0.05 . 1 . . . . 17 GLY HN . 7244 1 80 . 1 1 17 17 GLY C C 13 173.72 0.05 . 1 . . . . 17 GLY CO . 7244 1 81 . 1 1 17 17 GLY CA C 13 45.08 0.05 . 1 . . . . 17 GLY CA . 7244 1 82 . 1 1 17 17 GLY N N 15 113.87 0.05 . 1 . . . . 17 GLY N . 7244 1 83 . 1 1 18 18 ALA H H 1 8.31 0.05 . 1 . . . . 18 ALA HN . 7244 1 84 . 1 1 18 18 ALA C C 13 178.05 0.05 . 1 . . . . 18 ALA CO . 7244 1 85 . 1 1 18 18 ALA CA C 13 52.57 0.05 . 1 . . . . 18 ALA CA . 7244 1 86 . 1 1 18 18 ALA CB C 13 19.41 0.05 . 1 . . . . 18 ALA CB . 7244 1 87 . 1 1 18 18 ALA N N 15 124.16 0.05 . 1 . . . . 18 ALA N . 7244 1 88 . 1 1 19 19 VAL H H 1 8.39 0.05 . 1 . . . . 19 VAL HN . 7244 1 89 . 1 1 19 19 VAL C C 13 176.53 0.05 . 1 . . . . 19 VAL CO . 7244 1 90 . 1 1 19 19 VAL CA C 13 62.51 0.05 . 1 . . . . 19 VAL CA . 7244 1 91 . 1 1 19 19 VAL CB C 13 32.86 0.05 . 1 . . . . 19 VAL CB . 7244 1 92 . 1 1 19 19 VAL N N 15 120.36 0.05 . 1 . . . . 19 VAL N . 7244 1 93 . 1 1 20 20 GLU H H 1 8.72 0.05 . 1 . . . . 20 GLU HN . 7244 1 94 . 1 1 20 20 GLU C C 13 176.70 0.05 . 1 . . . . 20 GLU CO . 7244 1 95 . 1 1 20 20 GLU CA C 13 56.68 0.05 . 1 . . . . 20 GLU CA . 7244 1 96 . 1 1 20 20 GLU CB C 13 30.29 0.05 . 1 . . . . 20 GLU CB . 7244 1 97 . 1 1 20 20 GLU N N 15 125.64 0.05 . 1 . . . . 20 GLU N . 7244 1 98 . 1 1 21 21 LYS H H 1 8.65 0.05 . 1 . . . . 21 LYS HN . 7244 1 99 . 1 1 21 21 LYS C C 13 177.10 0.05 . 1 . . . . 21 LYS CO . 7244 1 100 . 1 1 21 21 LYS CA C 13 56.66 0.05 . 1 . . . . 21 LYS CA . 7244 1 101 . 1 1 21 21 LYS CB C 13 33.06 0.05 . 1 . . . . 21 LYS CB . 7244 1 102 . 1 1 21 21 LYS N N 15 123.59 0.05 . 1 . . . . 21 LYS N . 7244 1 103 . 1 1 22 22 THR H H 1 8.35 0.05 . 1 . . . . 22 THR HN . 7244 1 104 . 1 1 22 22 THR C C 13 176.24 0.05 . 1 . . . . 22 THR CO . 7244 1 105 . 1 1 22 22 THR CA C 13 62.43 0.05 . 1 . . . . 22 THR CA . 7244 1 106 . 1 1 22 22 THR CB C 13 69.92 0.05 . 1 . . . . 22 THR CB . 7244 1 107 . 1 1 22 22 THR N N 15 115.99 0.05 . 1 . . . . 22 THR N . 7244 1 108 . 1 1 23 23 LYS H H 1 8.57 0.05 . 1 . . . . 23 LYS HN . 7244 1 109 . 1 1 23 23 LYS C C 13 176.81 0.05 . 1 . . . . 23 LYS CO . 7244 1 110 . 1 1 23 23 LYS CA C 13 56.37 0.05 . 1 . . . . 23 LYS CA . 7244 1 111 . 1 1 23 23 LYS CB C 13 33.14 0.05 . 1 . . . . 23 LYS CB . 7244 1 112 . 1 1 23 23 LYS N N 15 124.34 0.05 . 1 . . . . 23 LYS N . 7244 1 113 . 1 1 24 24 GLN H H 1 8.60 0.05 . 1 . . . . 24 GLN HN . 7244 1 114 . 1 1 24 24 GLN C C 13 176.61 0.05 . 1 . . . . 24 GLN CO . 7244 1 115 . 1 1 24 24 GLN CA C 13 56.20 0.05 . 1 . . . . 24 GLN CA . 7244 1 116 . 1 1 24 24 GLN CB C 13 29.51 0.05 . 1 . . . . 24 GLN CB . 7244 1 117 . 1 1 24 24 GLN N N 15 122.45 0.05 . 1 . . . . 24 GLN N . 7244 1 118 . 1 1 25 25 GLY H H 1 8.67 0.05 . 1 . . . . 25 GLY HN . 7244 1 119 . 1 1 25 25 GLY C C 13 174.22 0.05 . 1 . . . . 25 GLY CO . 7244 1 120 . 1 1 25 25 GLY CA C 13 45.34 0.05 . 1 . . . . 25 GLY CA . 7244 1 121 . 1 1 25 25 GLY N N 15 110.93 0.05 . 1 . . . . 25 GLY N . 7244 1 122 . 1 1 26 26 VAL H H 1 8.24 0.05 . 1 . . . . 26 VAL HN . 7244 1 123 . 1 1 26 26 VAL C C 13 176.88 0.05 . 1 . . . . 26 VAL CO . 7244 1 124 . 1 1 26 26 VAL CA C 13 62.65 0.05 . 1 . . . . 26 VAL CA . 7244 1 125 . 1 1 26 26 VAL CB C 13 32.83 0.05 . 1 . . . . 26 VAL CB . 7244 1 126 . 1 1 26 26 VAL N N 15 119.97 0.05 . 1 . . . . 26 VAL N . 7244 1 127 . 1 1 27 27 THR H H 1 8.50 0.05 . 1 . . . . 27 THR HN . 7244 1 128 . 1 1 27 27 THR C C 13 174.69 0.05 . 1 . . . . 27 THR CO . 7244 1 129 . 1 1 27 27 THR CA C 13 62.36 0.05 . 1 . . . . 27 THR CA . 7244 1 130 . 1 1 27 27 THR CB C 13 69.84 0.05 . 1 . . . . 27 THR CB . 7244 1 131 . 1 1 27 27 THR N N 15 119.10 0.05 . 1 . . . . 27 THR N . 7244 1 132 . 1 1 28 28 GLU H H 1 8.67 0.05 . 1 . . . . 28 GLU HN . 7244 1 133 . 1 1 28 28 GLU C C 13 176.43 0.05 . 1 . . . . 28 GLU CO . 7244 1 134 . 1 1 28 28 GLU CA C 13 56.78 0.05 . 1 . . . . 28 GLU CA . 7244 1 135 . 1 1 28 28 GLU CB C 13 30.33 0.05 . 1 . . . . 28 GLU CB . 7244 1 136 . 1 1 28 28 GLU N N 15 124.38 0.05 . 1 . . . . 28 GLU N . 7244 1 137 . 1 1 29 29 ALA H H 1 8.54 0.05 . 1 . . . . 29 ALA HN . 7244 1 138 . 1 1 29 29 ALA C C 13 177.86 0.05 . 1 . . . . 29 ALA CO . 7244 1 139 . 1 1 29 29 ALA CA C 13 52.82 0.05 . 1 . . . . 29 ALA CA . 7244 1 140 . 1 1 29 29 ALA CB C 13 19.08 0.05 . 1 . . . . 29 ALA CB . 7244 1 141 . 1 1 29 29 ALA N N 15 125.47 0.05 . 1 . . . . 29 ALA N . 7244 1 142 . 1 1 30 30 ALA H H 1 8.43 0.05 . 1 . . . . 30 ALA HN . 7244 1 143 . 1 1 30 30 ALA C C 13 178.25 0.05 . 1 . . . . 30 ALA CO . 7244 1 144 . 1 1 30 30 ALA CA C 13 52.83 0.05 . 1 . . . . 30 ALA CA . 7244 1 145 . 1 1 30 30 ALA CB C 13 19.17 0.05 . 1 . . . . 30 ALA CB . 7244 1 146 . 1 1 30 30 ALA N N 15 123.56 0.05 . 1 . . . . 30 ALA N . 7244 1 147 . 1 1 31 31 GLU H H 1 8.50 0.05 . 1 . . . . 31 GLU HN . 7244 1 148 . 1 1 31 31 GLU C C 13 176.87 0.05 . 1 . . . . 31 GLU CO . 7244 1 149 . 1 1 31 31 GLU CA C 13 56.82 0.05 . 1 . . . . 31 GLU CA . 7244 1 150 . 1 1 31 31 GLU CB C 13 30.23 0.05 . 1 . . . . 31 GLU CB . 7244 1 151 . 1 1 31 31 GLU N N 15 120.27 0.05 . 1 . . . . 31 GLU N . 7244 1 152 . 1 1 32 32 LYS H H 1 8.48 0.05 . 1 . . . . 32 LYS HN . 7244 1 153 . 1 1 32 32 LYS C C 13 177.15 0.05 . 1 . . . . 32 LYS CO . 7244 1 154 . 1 1 32 32 LYS CA C 13 56.60 0.05 . 1 . . . . 32 LYS CA . 7244 1 155 . 1 1 32 32 LYS CB C 13 33.06 0.05 . 1 . . . . 32 LYS CB . 7244 1 156 . 1 1 32 32 LYS N N 15 122.62 0.05 . 1 . . . . 32 LYS N . 7244 1 157 . 1 1 33 33 THR H H 1 8.35 0.05 . 1 . . . . 33 THR HN . 7244 1 158 . 1 1 33 33 THR C C 13 174.82 0.05 . 1 . . . . 33 THR CO . 7244 1 159 . 1 1 33 33 THR CA C 13 62.29 0.05 . 1 . . . . 33 THR CA . 7244 1 160 . 1 1 33 33 THR CB C 13 69.92 0.05 . 1 . . . . 33 THR CB . 7244 1 161 . 1 1 33 33 THR N N 15 115.92 0.05 . 1 . . . . 33 THR N . 7244 1 162 . 1 1 34 34 LYS H H 1 8.55 0.05 . 1 . . . . 34 LYS HN . 7244 1 163 . 1 1 34 34 LYS C C 13 176.70 0.05 . 1 . . . . 34 LYS CO . 7244 1 164 . 1 1 34 34 LYS CA C 13 56.70 0.05 . 1 . . . . 34 LYS CA . 7244 1 165 . 1 1 34 34 LYS CB C 13 33.00 0.05 . 1 . . . . 34 LYS CB . 7244 1 166 . 1 1 34 34 LYS N N 15 124.04 0.05 . 1 . . . . 34 LYS N . 7244 1 167 . 1 1 35 35 GLU H H 1 8.57 0.05 . 1 . . . . 35 GLU HN . 7244 1 168 . 1 1 35 35 GLU C C 13 177.10 0.05 . 1 . . . . 35 GLU CO . 7244 1 169 . 1 1 35 35 GLU CA C 13 56.95 0.05 . 1 . . . . 35 GLU CA . 7244 1 170 . 1 1 35 35 GLU CB C 13 30.25 0.05 . 1 . . . . 35 GLU CB . 7244 1 171 . 1 1 35 35 GLU N N 15 122.11 0.05 . 1 . . . . 35 GLU N . 7244 1 172 . 1 1 36 36 GLY H H 1 8.59 0.05 . 1 . . . . 36 GLY HN . 7244 1 173 . 1 1 36 36 GLY C C 13 174.18 0.05 . 1 . . . . 36 GLY CO . 7244 1 174 . 1 1 36 36 GLY CA C 13 45.36 0.05 . 1 . . . . 36 GLY CA . 7244 1 175 . 1 1 36 36 GLY N N 15 110.19 0.05 . 1 . . . . 36 GLY N . 7244 1 176 . 1 1 37 37 VAL H H 1 8.10 0.05 . 1 . . . . 37 VAL HN . 7244 1 177 . 1 1 37 37 VAL C C 13 174.70 0.05 . 1 . . . . 37 VAL CO . 7244 1 178 . 1 1 37 37 VAL CA C 13 62.54 0.05 . 1 . . . . 37 VAL CA . 7244 1 179 . 1 1 37 37 VAL CB C 13 32.72 0.05 . 1 . . . . 37 VAL CB . 7244 1 180 . 1 1 37 37 VAL N N 15 119.76 0.05 . 1 . . . . 37 VAL N . 7244 1 181 . 1 1 38 38 MET H H 1 8.58 0.05 . 1 . . . . 38 MET HN . 7244 1 182 . 1 1 38 38 MET C C 13 175.71 0.05 . 1 . . . . 38 MET CO . 7244 1 183 . 1 1 38 38 MET CA C 13 55.33 0.05 . 1 . . . . 38 MET CA . 7244 1 184 . 1 1 38 38 MET CB C 13 32.77 0.05 . 1 . . . . 38 MET CB . 7244 1 185 . 1 1 38 38 MET N N 15 124.27 0.05 . 1 . . . . 38 MET N . 7244 1 186 . 1 1 39 39 TYR H H 1 8.43 0.05 . 1 . . . . 39 TYR HN . 7244 1 187 . 1 1 39 39 TYR C C 13 175.64 0.05 . 1 . . . . 39 TYR CO . 7244 1 188 . 1 1 39 39 TYR CA C 13 58.05 0.05 . 1 . . . . 39 TYR CA . 7244 1 189 . 1 1 39 39 TYR CB C 13 38.90 0.05 . 1 . . . . 39 TYR CB . 7244 1 190 . 1 1 39 39 TYR N N 15 122.96 0.05 . 1 . . . . 39 TYR N . 7244 1 191 . 1 1 40 40 VAL H H 1 8.25 0.05 . 1 . . . . 40 VAL HN . 7244 1 192 . 1 1 40 40 VAL C C 13 176.17 0.05 . 1 . . . . 40 VAL CO . 7244 1 193 . 1 1 40 40 VAL CA C 13 62.32 0.05 . 1 . . . . 40 VAL CA . 7244 1 194 . 1 1 40 40 VAL CB C 13 32.85 0.05 . 1 . . . . 40 VAL CB . 7244 1 195 . 1 1 40 40 VAL N N 15 123.97 0.05 . 1 . . . . 40 VAL N . 7244 1 196 . 1 1 41 41 GLY H H 1 8.17 0.05 . 1 . . . . 41 GLY HN . 7244 1 197 . 1 1 41 41 GLY C C 13 173.65 0.05 . 1 . . . . 41 GLY CO . 7244 1 198 . 1 1 41 41 GLY CA C 13 45.06 0.05 . 1 . . . . 41 GLY CA . 7244 1 199 . 1 1 41 41 GLY N N 15 112.60 0.05 . 1 . . . . 41 GLY N . 7244 1 200 . 1 1 42 42 ALA H H 1 8.35 0.05 . 1 . . . . 42 ALA HN . 7244 1 201 . 1 1 42 42 ALA C C 13 178.06 0.05 . 1 . . . . 42 ALA CO . 7244 1 202 . 1 1 42 42 ALA CA C 13 52.55 0.05 . 1 . . . . 42 ALA CA . 7244 1 203 . 1 1 42 42 ALA CB C 13 19.46 0.05 . 1 . . . . 42 ALA CB . 7244 1 204 . 1 1 42 42 ALA N N 15 123.89 0.05 . 1 . . . . 42 ALA N . 7244 1 205 . 1 1 43 43 LYS H H 1 8.58 0.05 . 1 . . . . 43 LYS HN . 7244 1 206 . 1 1 43 43 LYS C C 13 177.02 0.05 . 1 . . . . 43 LYS CO . 7244 1 207 . 1 1 43 43 LYS CA C 13 56.32 0.05 . 1 . . . . 43 LYS CA . 7244 1 208 . 1 1 43 43 LYS CB C 13 33.04 0.05 . 1 . . . . 43 LYS CB . 7244 1 209 . 1 1 43 43 LYS N N 15 121.30 0.05 . 1 . . . . 43 LYS N . 7244 1 210 . 1 1 44 44 THR H H 1 8.35 0.05 . 1 . . . . 44 THR HN . 7244 1 211 . 1 1 44 44 THR C C 13 174.56 0.05 . 1 . . . . 44 THR CO . 7244 1 212 . 1 1 44 44 THR CA C 13 61.92 0.05 . 1 . . . . 44 THR CA . 7244 1 213 . 1 1 44 44 THR CB C 13 69.98 0.05 . 1 . . . . 44 THR CB . 7244 1 214 . 1 1 44 44 THR N N 15 116.40 0.05 . 1 . . . . 44 THR N . 7244 1 215 . 1 1 45 45 LYS H H 1 8.58 0.05 . 1 . . . . 45 LYS HN . 7244 1 216 . 1 1 45 45 LYS C C 13 176.54 0.05 . 1 . . . . 45 LYS CO . 7244 1 217 . 1 1 45 45 LYS CA C 13 56.54 0.05 . 1 . . . . 45 LYS CA . 7244 1 218 . 1 1 45 45 LYS CB C 13 32.99 0.05 . 1 . . . . 45 LYS CB . 7244 1 219 . 1 1 45 45 LYS N N 15 123.94 0.05 . 1 . . . . 45 LYS N . 7244 1 220 . 1 1 46 46 GLU H H 1 8.61 0.05 . 1 . . . . 46 GLU HN . 7244 1 221 . 1 1 46 46 GLU C C 13 176.21 0.05 . 1 . . . . 46 GLU CO . 7244 1 222 . 1 1 46 46 GLU CA C 13 56.61 0.05 . 1 . . . . 46 GLU CA . 7244 1 223 . 1 1 46 46 GLU CB C 13 30.35 0.05 . 1 . . . . 46 GLU CB . 7244 1 224 . 1 1 46 46 GLU N N 15 122.37 0.05 . 1 . . . . 46 GLU N . 7244 1 225 . 1 1 47 47 ASN H H 1 8.70 0.05 . 1 . . . . 47 ASN HN . 7244 1 226 . 1 1 47 47 ASN C C 13 175.02 0.05 . 1 . . . . 47 ASN CO . 7244 1 227 . 1 1 47 47 ASN CA C 13 53.33 0.05 . 1 . . . . 47 ASN CA . 7244 1 228 . 1 1 47 47 ASN CB C 13 38.85 0.05 . 1 . . . . 47 ASN CB . 7244 1 229 . 1 1 47 47 ASN N N 15 120.45 0.05 . 1 . . . . 47 ASN N . 7244 1 230 . 1 1 48 48 VAL H H 1 8.28 0.05 . 1 . . . . 48 VAL HN . 7244 1 231 . 1 1 48 48 VAL C C 13 176.23 0.05 . 1 . . . . 48 VAL CO . 7244 1 232 . 1 1 48 48 VAL CA C 13 62.48 0.05 . 1 . . . . 48 VAL CA . 7244 1 233 . 1 1 48 48 VAL CB C 13 32.81 0.05 . 1 . . . . 48 VAL CB . 7244 1 234 . 1 1 48 48 VAL N N 15 121.62 0.05 . 1 . . . . 48 VAL N . 7244 1 235 . 1 1 49 49 VAL H H 1 8.52 0.05 . 1 . . . . 49 VAL HN . 7244 1 236 . 1 1 49 49 VAL C C 13 176.23 0.05 . 1 . . . . 49 VAL CO . 7244 1 237 . 1 1 49 49 VAL CA C 13 62.47 0.05 . 1 . . . . 49 VAL CA . 7244 1 238 . 1 1 49 49 VAL CB C 13 32.68 0.05 . 1 . . . . 49 VAL CB . 7244 1 239 . 1 1 49 49 VAL N N 15 125.81 0.05 . 1 . . . . 49 VAL N . 7244 1 240 . 1 1 50 50 GLN H H 1 8.73 0.05 . 1 . . . . 50 GLN HN . 7244 1 241 . 1 1 50 50 GLN C C 13 175.93 0.05 . 1 . . . . 50 GLN CO . 7244 1 242 . 1 1 50 50 GLN CA C 13 55.68 0.05 . 1 . . . . 50 GLN CA . 7244 1 243 . 1 1 50 50 GLN CB C 13 29.64 0.05 . 1 . . . . 50 GLN CB . 7244 1 244 . 1 1 50 50 GLN N N 15 125.72 0.05 . 1 . . . . 50 GLN N . 7244 1 245 . 1 1 51 51 SER H H 1 8.65 0.05 . 1 . . . . 51 SER HN . 7244 1 246 . 1 1 51 51 SER C C 13 174.64 0.05 . 1 . . . . 51 SER CO . 7244 1 247 . 1 1 51 51 SER CA C 13 58.31 0.05 . 1 . . . . 51 SER CA . 7244 1 248 . 1 1 51 51 SER CB C 13 63.83 0.05 . 1 . . . . 51 SER CB . 7244 1 249 . 1 1 51 51 SER N N 15 118.63 0.05 . 1 . . . . 51 SER N . 7244 1 250 . 1 1 52 52 VAL H H 1 8.52 0.05 . 1 . . . . 52 VAL HN . 7244 1 251 . 1 1 52 52 VAL C C 13 176.63 0.05 . 1 . . . . 52 VAL CO . 7244 1 252 . 1 1 52 52 VAL CA C 13 62.48 0.05 . 1 . . . . 52 VAL CA . 7244 1 253 . 1 1 52 52 VAL CB C 13 32.82 0.05 . 1 . . . . 52 VAL CB . 7244 1 254 . 1 1 52 52 VAL N N 15 122.41 0.05 . 1 . . . . 52 VAL N . 7244 1 255 . 1 1 53 53 THR H H 1 8.45 0.05 . 1 . . . . 53 THR HN . 7244 1 256 . 1 1 53 53 THR C C 13 174.58 0.05 . 1 . . . . 53 THR CO . 7244 1 257 . 1 1 53 53 THR CA C 13 62.07 0.05 . 1 . . . . 53 THR CA . 7244 1 258 . 1 1 53 53 THR CB C 13 69.81 0.05 . 1 . . . . 53 THR CB . 7244 1 259 . 1 1 53 53 THR N N 15 118.56 0.05 . 1 . . . . 53 THR N . 7244 1 260 . 1 1 54 54 SER H H 1 8.54 0.05 . 1 . . . . 54 SER HN . 7244 1 261 . 1 1 54 54 SER C C 13 174.65 0.05 . 1 . . . . 54 SER CO . 7244 1 262 . 1 1 54 54 SER CA C 13 58.35 0.05 . 1 . . . . 54 SER CA . 7244 1 263 . 1 1 54 54 SER CB C 13 63.90 0.05 . 1 . . . . 54 SER CB . 7244 1 264 . 1 1 54 54 SER N N 15 119.43 0.05 . 1 . . . . 54 SER N . 7244 1 265 . 1 1 55 55 VAL H H 1 8.42 0.05 . 1 . . . . 55 VAL HN . 7244 1 266 . 1 1 55 55 VAL C C 13 176.36 0.05 . 1 . . . . 55 VAL CO . 7244 1 267 . 1 1 55 55 VAL CA C 13 62.77 0.05 . 1 . . . . 55 VAL CA . 7244 1 268 . 1 1 55 55 VAL CB C 13 32.68 0.05 . 1 . . . . 55 VAL CB . 7244 1 269 . 1 1 55 55 VAL N N 15 122.58 0.05 . 1 . . . . 55 VAL N . 7244 1 270 . 1 1 56 56 ALA H H 1 8.52 0.05 . 1 . . . . 56 ALA HN . 7244 1 271 . 1 1 56 56 ALA C C 13 178.19 0.05 . 1 . . . . 56 ALA CO . 7244 1 272 . 1 1 56 56 ALA CA C 13 52.92 0.05 . 1 . . . . 56 ALA CA . 7244 1 273 . 1 1 56 56 ALA CB C 13 19.08 0.05 . 1 . . . . 56 ALA CB . 7244 1 274 . 1 1 56 56 ALA N N 15 127.70 0.05 . 1 . . . . 56 ALA N . 7244 1 275 . 1 1 57 57 GLU H H 1 8.50 0.05 . 1 . . . . 57 GLU HN . 7244 1 276 . 1 1 57 57 GLU C C 13 176.99 0.05 . 1 . . . . 57 GLU CO . 7244 1 277 . 1 1 57 57 GLU CA C 13 56.86 0.05 . 1 . . . . 57 GLU CA . 7244 1 278 . 1 1 57 57 GLU CB C 13 30.31 0.05 . 1 . . . . 57 GLU CB . 7244 1 279 . 1 1 57 57 GLU N N 15 120.82 0.05 . 1 . . . . 57 GLU N . 7244 1 280 . 1 1 58 58 LYS H H 1 8.55 0.05 . 1 . . . . 58 LYS HN . 7244 1 281 . 1 1 58 58 LYS C C 13 177.31 0.05 . 1 . . . . 58 LYS CO . 7244 1 282 . 1 1 58 58 LYS CA C 13 56.71 0.05 . 1 . . . . 58 LYS CA . 7244 1 283 . 1 1 58 58 LYS CB C 13 33.01 0.05 . 1 . . . . 58 LYS CB . 7244 1 284 . 1 1 58 58 LYS N N 15 123.01 0.05 . 1 . . . . 58 LYS N . 7244 1 285 . 1 1 59 59 THR H H 1 8.39 0.05 . 1 . . . . 59 THR HN . 7244 1 286 . 1 1 59 59 THR C C 13 175.00 0.05 . 1 . . . . 59 THR CO . 7244 1 287 . 1 1 59 59 THR CA C 13 62.45 0.05 . 1 . . . . 59 THR CA . 7244 1 288 . 1 1 59 59 THR CB C 13 69.88 0.05 . 1 . . . . 59 THR CB . 7244 1 289 . 1 1 59 59 THR N N 15 116.15 0.05 . 1 . . . . 59 THR N . 7244 1 290 . 1 1 60 60 LYS H H 1 8.53 0.05 . 1 . . . . 60 LYS HN . 7244 1 291 . 1 1 60 60 LYS C C 13 177.10 0.05 . 1 . . . . 60 LYS CO . 7244 1 292 . 1 1 60 60 LYS CA C 13 57.12 0.05 . 1 . . . . 60 LYS CA . 7244 1 293 . 1 1 60 60 LYS CB C 13 32.86 0.05 . 1 . . . . 60 LYS CB . 7244 1 294 . 1 1 60 60 LYS N N 15 123.92 0.05 . 1 . . . . 60 LYS N . 7244 1 295 . 1 1 61 61 GLU H H 1 8.58 0.05 . 1 . . . . 61 GLU HN . 7244 1 296 . 1 1 61 61 GLU C C 13 177.11 0.05 . 1 . . . . 61 GLU CO . 7244 1 297 . 1 1 61 61 GLU CA C 13 57.25 0.05 . 1 . . . . 61 GLU CA . 7244 1 298 . 1 1 61 61 GLU CB C 13 30.06 0.05 . 1 . . . . 61 GLU CB . 7244 1 299 . 1 1 61 61 GLU N N 15 121.95 0.05 . 1 . . . . 61 GLU N . 7244 1 300 . 1 1 62 62 GLN H H 1 8.49 0.05 . 1 . . . . 62 GLN HN . 7244 1 301 . 1 1 62 62 GLN C C 13 176.26 0.05 . 1 . . . . 62 GLN CO . 7244 1 302 . 1 1 62 62 GLN CA C 13 56.17 0.05 . 1 . . . . 62 GLN CA . 7244 1 303 . 1 1 62 62 GLN CB C 13 29.39 0.05 . 1 . . . . 62 GLN CB . 7244 1 304 . 1 1 62 62 GLN N N 15 121.47 0.05 . 1 . . . . 62 GLN N . 7244 1 305 . 1 1 63 63 ALA H H 1 8.53 0.05 . 1 . . . . 63 ALA HN . 7244 1 306 . 1 1 63 63 ALA C C 13 177.90 0.05 . 1 . . . . 63 ALA CO . 7244 1 307 . 1 1 63 63 ALA CA C 13 53.02 0.05 . 1 . . . . 63 ALA CA . 7244 1 308 . 1 1 63 63 ALA CB C 13 19.05 0.05 . 1 . . . . 63 ALA CB . 7244 1 309 . 1 1 63 63 ALA N N 15 125.25 0.05 . 1 . . . . 63 ALA N . 7244 1 310 . 1 1 64 64 ASN H H 1 8.51 0.05 . 1 . . . . 64 ASN HN . 7244 1 311 . 1 1 64 64 ASN C C 13 175.09 0.05 . 1 . . . . 64 ASN CO . 7244 1 312 . 1 1 64 64 ASN CA C 13 53.31 0.05 . 1 . . . . 64 ASN CA . 7244 1 313 . 1 1 64 64 ASN CB C 13 38.89 0.05 . 1 . . . . 64 ASN CB . 7244 1 314 . 1 1 64 64 ASN N N 15 117.84 0.05 . 1 . . . . 64 ASN N . 7244 1 315 . 1 1 65 65 ALA H H 1 8.31 0.05 . 1 . . . . 65 ALA HN . 7244 1 316 . 1 1 65 65 ALA C C 13 177.98 0.05 . 1 . . . . 65 ALA CO . 7244 1 317 . 1 1 65 65 ALA CA C 13 52.83 0.05 . 1 . . . . 65 ALA CA . 7244 1 318 . 1 1 65 65 ALA CB C 13 19.24 0.05 . 1 . . . . 65 ALA CB . 7244 1 319 . 1 1 65 65 ALA N N 15 124.51 0.05 . 1 . . . . 65 ALA N . 7244 1 320 . 1 1 66 66 VAL H H 1 8.32 0.05 . 1 . . . . 66 VAL HN . 7244 1 321 . 1 1 66 66 VAL C C 13 176.54 0.05 . 1 . . . . 66 VAL CO . 7244 1 322 . 1 1 66 66 VAL CA C 13 62.49 0.05 . 1 . . . . 66 VAL CA . 7244 1 323 . 1 1 66 66 VAL CB C 13 32.77 0.05 . 1 . . . . 66 VAL CB . 7244 1 324 . 1 1 66 66 VAL N N 15 119.86 0.05 . 1 . . . . 66 VAL N . 7244 1 325 . 1 1 67 67 SER H H 1 8.54 0.05 . 1 . . . . 67 SER HN . 7244 1 326 . 1 1 67 67 SER C C 13 174.67 0.05 . 1 . . . . 67 SER CO . 7244 1 327 . 1 1 67 67 SER CA C 13 58.44 0.05 . 1 . . . . 67 SER CA . 7244 1 328 . 1 1 67 67 SER CB C 13 63.81 0.05 . 1 . . . . 67 SER CB . 7244 1 329 . 1 1 67 67 SER N N 15 119.92 0.05 . 1 . . . . 67 SER N . 7244 1 330 . 1 1 68 68 GLU H H 1 8.62 0.05 . 1 . . . . 68 GLU HN . 7244 1 331 . 1 1 68 68 GLU C C 13 176.20 0.05 . 1 . . . . 68 GLU CO . 7244 1 332 . 1 1 68 68 GLU CA C 13 56.51 0.05 . 1 . . . . 68 GLU CA . 7244 1 333 . 1 1 68 68 GLU CB C 13 30.36 0.05 . 1 . . . . 68 GLU CB . 7244 1 334 . 1 1 68 68 GLU N N 15 123.52 0.05 . 1 . . . . 68 GLU N . 7244 1 335 . 1 1 69 69 ALA H H 1 8.44 0.05 . 1 . . . . 69 ALA HN . 7244 1 336 . 1 1 69 69 ALA C C 13 177.77 0.05 . 1 . . . . 69 ALA CO . 7244 1 337 . 1 1 69 69 ALA CA C 13 52.57 0.05 . 1 . . . . 69 ALA CA . 7244 1 338 . 1 1 69 69 ALA CB C 13 19.07 0.05 . 1 . . . . 69 ALA CB . 7244 1 339 . 1 1 69 69 ALA N N 15 125.49 0.05 . 1 . . . . 69 ALA N . 7244 1 340 . 1 1 70 70 VAL H H 1 8.36 0.05 . 1 . . . . 70 VAL HN . 7244 1 341 . 1 1 70 70 VAL C C 13 176.53 0.05 . 1 . . . . 70 VAL CO . 7244 1 342 . 1 1 70 70 VAL CA C 13 62.44 0.05 . 1 . . . . 70 VAL CA . 7244 1 343 . 1 1 70 70 VAL CB C 13 32.88 0.05 . 1 . . . . 70 VAL CB . 7244 1 344 . 1 1 70 70 VAL N N 15 121.05 0.05 . 1 . . . . 70 VAL N . 7244 1 345 . 1 1 71 71 VAL H H 1 8.52 0.05 . 1 . . . . 71 VAL HN . 7244 1 346 . 1 1 71 71 VAL C C 13 176.28 0.05 . 1 . . . . 71 VAL CO . 7244 1 347 . 1 1 71 71 VAL CA C 13 62.36 0.05 . 1 . . . . 71 VAL CA . 7244 1 348 . 1 1 71 71 VAL CB C 13 32.80 0.05 . 1 . . . . 71 VAL CB . 7244 1 349 . 1 1 71 71 VAL N N 15 125.72 0.05 . 1 . . . . 71 VAL N . 7244 1 350 . 1 1 72 72 SER H H 1 8.67 0.05 . 1 . . . . 72 SER HN . 7244 1 351 . 1 1 72 72 SER C C 13 174.66 0.05 . 1 . . . . 72 SER CO . 7244 1 352 . 1 1 72 72 SER CA C 13 58.27 0.05 . 1 . . . . 72 SER CA . 7244 1 353 . 1 1 72 72 SER CB C 13 63.87 0.05 . 1 . . . . 72 SER CB . 7244 1 354 . 1 1 72 72 SER N N 15 120.65 0.05 . 1 . . . . 72 SER N . 7244 1 355 . 1 1 73 73 SER H H 1 8.63 0.05 . 1 . . . . 73 SER HN . 7244 1 356 . 1 1 73 73 SER C C 13 174.62 0.05 . 1 . . . . 73 SER CO . 7244 1 357 . 1 1 73 73 SER CA C 13 58.40 0.05 . 1 . . . . 73 SER CA . 7244 1 358 . 1 1 73 73 SER CB C 13 63.82 0.05 . 1 . . . . 73 SER CB . 7244 1 359 . 1 1 73 73 SER N N 15 118.96 0.05 . 1 . . . . 73 SER N . 7244 1 360 . 1 1 74 74 VAL H H 1 8.31 0.05 . 1 . . . . 74 VAL HN . 7244 1 361 . 1 1 74 74 VAL C C 13 176.00 0.05 . 1 . . . . 74 VAL CO . 7244 1 362 . 1 1 74 74 VAL CA C 13 62.52 0.05 . 1 . . . . 74 VAL CA . 7244 1 363 . 1 1 74 74 VAL CB C 13 32.72 0.05 . 1 . . . . 74 VAL CB . 7244 1 364 . 1 1 74 74 VAL N N 15 121.57 0.05 . 1 . . . . 74 VAL N . 7244 1 365 . 1 1 75 75 ASN H H 1 8.66 0.05 . 1 . . . . 75 ASN HN . 7244 1 366 . 1 1 75 75 ASN C C 13 175.39 0.05 . 1 . . . . 75 ASN CO . 7244 1 367 . 1 1 75 75 ASN CA C 13 53.27 0.05 . 1 . . . . 75 ASN CA . 7244 1 368 . 1 1 75 75 ASN CB C 13 38.96 0.05 . 1 . . . . 75 ASN CB . 7244 1 369 . 1 1 75 75 ASN N N 15 122.58 0.05 . 1 . . . . 75 ASN N . 7244 1 370 . 1 1 76 76 THR H H 1 8.33 0.05 . 1 . . . . 76 THR HN . 7244 1 371 . 1 1 76 76 THR C C 13 174.54 0.05 . 1 . . . . 76 THR CO . 7244 1 372 . 1 1 76 76 THR CA C 13 62.07 0.05 . 1 . . . . 76 THR CA . 7244 1 373 . 1 1 76 76 THR CB C 13 69.86 0.05 . 1 . . . . 76 THR CB . 7244 1 374 . 1 1 76 76 THR N N 15 116.01 0.05 . 1 . . . . 76 THR N . 7244 1 375 . 1 1 77 77 VAL H H 1 8.37 0.05 . 1 . . . . 77 VAL HN . 7244 1 376 . 1 1 77 77 VAL C C 13 175.95 0.05 . 1 . . . . 77 VAL CO . 7244 1 377 . 1 1 77 77 VAL CA C 13 62.42 0.05 . 1 . . . . 77 VAL CA . 7244 1 378 . 1 1 77 77 VAL CB C 13 32.75 0.05 . 1 . . . . 77 VAL CB . 7244 1 379 . 1 1 77 77 VAL N N 15 123.59 0.05 . 1 . . . . 77 VAL N . 7244 1 380 . 1 1 78 78 ALA H H 1 8.62 0.05 . 1 . . . . 78 ALA HN . 7244 1 381 . 1 1 78 78 ALA C C 13 177.97 0.05 . 1 . . . . 78 ALA CO . 7244 1 382 . 1 1 78 78 ALA CA C 13 52.54 0.05 . 1 . . . . 78 ALA CA . 7244 1 383 . 1 1 78 78 ALA CB C 13 19.29 0.05 . 1 . . . . 78 ALA CB . 7244 1 384 . 1 1 78 78 ALA N N 15 128.74 0.05 . 1 . . . . 78 ALA N . 7244 1 385 . 1 1 79 79 THR H H 1 8.36 0.05 . 1 . . . . 79 THR HN . 7244 1 386 . 1 1 79 79 THR C C 13 174.52 0.05 . 1 . . . . 79 THR CO . 7244 1 387 . 1 1 79 79 THR CA C 13 62.07 0.05 . 1 . . . . 79 THR CA . 7244 1 388 . 1 1 79 79 THR CB C 13 69.91 0.05 . 1 . . . . 79 THR CB . 7244 1 389 . 1 1 79 79 THR N N 15 115.17 0.05 . 1 . . . . 79 THR N . 7244 1 390 . 1 1 80 80 LYS H H 1 8.57 0.05 . 1 . . . . 80 LYS HN . 7244 1 391 . 1 1 80 80 LYS C C 13 176.79 0.05 . 1 . . . . 80 LYS CO . 7244 1 392 . 1 1 80 80 LYS CA C 13 56.29 0.05 . 1 . . . . 80 LYS CA . 7244 1 393 . 1 1 80 80 LYS CB C 13 33.38 0.05 . 1 . . . . 80 LYS CB . 7244 1 394 . 1 1 80 80 LYS N N 15 124.84 0.05 . 1 . . . . 80 LYS N . 7244 1 395 . 1 1 81 81 THR H H 1 8.55 0.05 . 1 . . . . 81 THR HN . 7244 1 396 . 1 1 81 81 THR C C 13 174.72 0.05 . 1 . . . . 81 THR CO . 7244 1 397 . 1 1 81 81 THR CA C 13 62.11 0.05 . 1 . . . . 81 THR CA . 7244 1 398 . 1 1 81 81 THR CB C 13 69.98 0.05 . 1 . . . . 81 THR CB . 7244 1 399 . 1 1 81 81 THR N N 15 117.61 0.05 . 1 . . . . 81 THR N . 7244 1 400 . 1 1 82 82 VAL H H 1 8.48 0.05 . 1 . . . . 82 VAL HN . 7244 1 401 . 1 1 82 82 VAL C C 13 176.40 0.05 . 1 . . . . 82 VAL CO . 7244 1 402 . 1 1 82 82 VAL CA C 13 62.87 0.05 . 1 . . . . 82 VAL CA . 7244 1 403 . 1 1 82 82 VAL CB C 13 32.76 0.05 . 1 . . . . 82 VAL CB . 7244 1 404 . 1 1 82 82 VAL N N 15 123.29 0.05 . 1 . . . . 82 VAL N . 7244 1 405 . 1 1 83 83 GLU H H 1 8.69 0.05 . 1 . . . . 83 GLU HN . 7244 1 406 . 1 1 83 83 GLU C C 13 176.85 0.05 . 1 . . . . 83 GLU CO . 7244 1 407 . 1 1 83 83 GLU CA C 13 56.92 0.05 . 1 . . . . 83 GLU CA . 7244 1 408 . 1 1 83 83 GLU CB C 13 30.21 0.05 . 1 . . . . 83 GLU CB . 7244 1 409 . 1 1 83 83 GLU N N 15 124.80 0.05 . 1 . . . . 83 GLU N . 7244 1 410 . 1 1 84 84 GLU H H 1 8.57 0.05 . 1 . . . . 84 GLU HN . 7244 1 411 . 1 1 84 84 GLU C C 13 176.67 0.05 . 1 . . . . 84 GLU CO . 7244 1 412 . 1 1 84 84 GLU CA C 13 56.81 0.05 . 1 . . . . 84 GLU CA . 7244 1 413 . 1 1 84 84 GLU CB C 13 30.39 0.05 . 1 . . . . 84 GLU CB . 7244 1 414 . 1 1 84 84 GLU N N 15 122.53 0.05 . 1 . . . . 84 GLU N . 7244 1 415 . 1 1 85 85 ALA H H 1 8.52 0.05 . 1 . . . . 85 ALA HN . 7244 1 416 . 1 1 85 85 ALA C C 13 178.15 0.05 . 1 . . . . 85 ALA CO . 7244 1 417 . 1 1 85 85 ALA CA C 13 52.94 0.05 . 1 . . . . 85 ALA CA . 7244 1 418 . 1 1 85 85 ALA CB C 13 19.24 0.05 . 1 . . . . 85 ALA CB . 7244 1 419 . 1 1 85 85 ALA N N 15 125.07 0.05 . 1 . . . . 85 ALA N . 7244 1 420 . 1 1 86 86 GLU H H 1 8.54 0.05 . 1 . . . . 86 GLU HN . 7244 1 421 . 1 1 86 86 GLU C C 13 176.48 0.05 . 1 . . . . 86 GLU CO . 7244 1 422 . 1 1 86 86 GLU CA C 13 56.91 0.05 . 1 . . . . 86 GLU CA . 7244 1 423 . 1 1 86 86 GLU CB C 13 30.29 0.05 . 1 . . . . 86 GLU CB . 7244 1 424 . 1 1 86 86 GLU N N 15 120.07 0.05 . 1 . . . . 86 GLU N . 7244 1 425 . 1 1 87 87 ASN H H 1 8.57 0.05 . 1 . . . . 87 ASN HN . 7244 1 426 . 1 1 87 87 ASN C C 13 175.37 0.05 . 1 . . . . 87 ASN CO . 7244 1 427 . 1 1 87 87 ASN CA C 13 53.41 0.05 . 1 . . . . 87 ASN CA . 7244 1 428 . 1 1 87 87 ASN CB C 13 38.85 0.05 . 1 . . . . 87 ASN CB . 7244 1 429 . 1 1 87 87 ASN N N 15 120.17 0.05 . 1 . . . . 87 ASN N . 7244 1 430 . 1 1 88 88 ILE H H 1 8.25 0.05 . 1 . . . . 88 ILE HN . 7244 1 431 . 1 1 88 88 ILE C C 13 176.23 0.05 . 1 . . . . 88 ILE CO . 7244 1 432 . 1 1 88 88 ILE CA C 13 61.48 0.05 . 1 . . . . 88 ILE CA . 7244 1 433 . 1 1 88 88 ILE CB C 13 38.59 0.05 . 1 . . . . 88 ILE CB . 7244 1 434 . 1 1 88 88 ILE N N 15 121.89 0.05 . 1 . . . . 88 ILE N . 7244 1 435 . 1 1 89 89 ALA H H 1 8.50 0.05 . 1 . . . . 89 ALA HN . 7244 1 436 . 1 1 89 89 ALA C C 13 178.05 0.05 . 1 . . . . 89 ALA CO . 7244 1 437 . 1 1 89 89 ALA CA C 13 52.78 0.05 . 1 . . . . 89 ALA CA . 7244 1 438 . 1 1 89 89 ALA CB C 13 19.07 0.05 . 1 . . . . 89 ALA CB . 7244 1 439 . 1 1 89 89 ALA N N 15 128.13 0.05 . 1 . . . . 89 ALA N . 7244 1 440 . 1 1 90 90 VAL H H 1 8.34 0.05 . 1 . . . . 90 VAL HN . 7244 1 441 . 1 1 90 90 VAL C C 13 176.97 0.05 . 1 . . . . 90 VAL CO . 7244 1 442 . 1 1 90 90 VAL CA C 13 62.67 0.05 . 1 . . . . 90 VAL CA . 7244 1 443 . 1 1 90 90 VAL CB C 13 32.75 0.05 . 1 . . . . 90 VAL CB . 7244 1 444 . 1 1 90 90 VAL N N 15 120.04 0.05 . 1 . . . . 90 VAL N . 7244 1 445 . 1 1 91 91 THR H H 1 8.42 0.05 . 1 . . . . 91 THR HN . 7244 1 446 . 1 1 91 91 THR C C 13 174.78 0.05 . 1 . . . . 91 THR CO . 7244 1 447 . 1 1 91 91 THR CA C 13 61.96 0.05 . 1 . . . . 91 THR CA . 7244 1 448 . 1 1 91 91 THR CB C 13 69.85 0.05 . 1 . . . . 91 THR CB . 7244 1 449 . 1 1 91 91 THR N N 15 117.86 0.05 . 1 . . . . 91 THR N . 7244 1 450 . 1 1 92 92 SER H H 1 8.50 0.05 . 1 . . . . 92 SER HN . 7244 1 451 . 1 1 92 92 SER C C 13 175.02 0.05 . 1 . . . . 92 SER CO . 7244 1 452 . 1 1 92 92 SER CA C 13 58.68 0.05 . 1 . . . . 92 SER CA . 7244 1 453 . 1 1 92 92 SER CB C 13 63.87 0.05 . 1 . . . . 92 SER CB . 7244 1 454 . 1 1 92 92 SER N N 15 118.35 0.05 . 1 . . . . 92 SER N . 7244 1 455 . 1 1 93 93 GLY H H 1 8.57 0.05 . 1 . . . . 93 GLY HN . 7244 1 456 . 1 1 93 93 GLY C C 13 173.91 0.05 . 1 . . . . 93 GLY CO . 7244 1 457 . 1 1 93 93 GLY CA C 13 45.26 0.05 . 1 . . . . 93 GLY CA . 7244 1 458 . 1 1 93 93 GLY N N 15 111.20 0.05 . 1 . . . . 93 GLY N . 7244 1 459 . 1 1 94 94 VAL H H 1 8.12 0.05 . 1 . . . . 94 VAL HN . 7244 1 460 . 1 1 94 94 VAL C C 13 176.24 0.05 . 1 . . . . 94 VAL CO . 7244 1 461 . 1 1 94 94 VAL CA C 13 62.46 0.05 . 1 . . . . 94 VAL CA . 7244 1 462 . 1 1 94 94 VAL CB C 13 32.80 0.05 . 1 . . . . 94 VAL CB . 7244 1 463 . 1 1 94 94 VAL N N 15 120.27 0.05 . 1 . . . . 94 VAL N . 7244 1 464 . 1 1 95 95 VAL H H 1 8.50 0.05 . 1 . . . . 95 VAL HN . 7244 1 465 . 1 1 95 95 VAL C C 13 176.03 0.05 . 1 . . . . 95 VAL CO . 7244 1 466 . 1 1 95 95 VAL CA C 13 62.38 0.05 . 1 . . . . 95 VAL CA . 7244 1 467 . 1 1 95 95 VAL CB C 13 32.79 0.05 . 1 . . . . 95 VAL CB . 7244 1 468 . 1 1 95 95 VAL N N 15 126.32 0.05 . 1 . . . . 95 VAL N . 7244 1 469 . 1 1 96 96 ARG H H 1 8.77 0.05 . 1 . . . . 96 ARG HN . 7244 1 470 . 1 1 96 96 ARG C C 13 176.42 0.05 . 1 . . . . 96 ARG CO . 7244 1 471 . 1 1 96 96 ARG CA C 13 55.83 0.05 . 1 . . . . 96 ARG CA . 7244 1 472 . 1 1 96 96 ARG CB C 13 30.96 0.05 . 1 . . . . 96 ARG CB . 7244 1 473 . 1 1 96 96 ARG N N 15 127.10 0.05 . 1 . . . . 96 ARG N . 7244 1 474 . 1 1 97 97 LYS H H 1 8.75 0.05 . 1 . . . . 97 LYS HN . 7244 1 475 . 1 1 97 97 LYS C C 13 177.08 0.05 . 1 . . . . 97 LYS CO . 7244 1 476 . 1 1 97 97 LYS CA C 13 57.11 0.05 . 1 . . . . 97 LYS CA . 7244 1 477 . 1 1 97 97 LYS CB C 13 32.91 0.05 . 1 . . . . 97 LYS CB . 7244 1 478 . 1 1 97 97 LYS N N 15 124.87 0.05 . 1 . . . . 97 LYS N . 7244 1 479 . 1 1 98 98 GLU H H 1 8.94 0.05 . 1 . . . . 98 GLU HN . 7244 1 480 . 1 1 98 98 GLU C C 13 176.19 0.05 . 1 . . . . 98 GLU CO . 7244 1 481 . 1 1 98 98 GLU CA C 13 57.04 0.05 . 1 . . . . 98 GLU CA . 7244 1 482 . 1 1 98 98 GLU CB C 13 30.11 0.05 . 1 . . . . 98 GLU CB . 7244 1 483 . 1 1 98 98 GLU N N 15 121.86 0.05 . 1 . . . . 98 GLU N . 7244 1 484 . 1 1 99 99 ASP H H 1 8.44 0.05 . 1 . . . . 99 ASP HN . 7244 1 485 . 1 1 99 99 ASP C C 13 176.11 0.05 . 1 . . . . 99 ASP CO . 7244 1 486 . 1 1 99 99 ASP CA C 13 54.29 0.05 . 1 . . . . 99 ASP CA . 7244 1 487 . 1 1 99 99 ASP CB C 13 41.11 0.05 . 1 . . . . 99 ASP CB . 7244 1 488 . 1 1 99 99 ASP N N 15 121.61 0.05 . 1 . . . . 99 ASP N . 7244 1 489 . 1 1 100 100 LEU H H 1 8.26 0.05 . 1 . . . . 100 LEU HN . 7244 1 490 . 1 1 100 100 LEU C C 13 177.31 0.05 . 1 . . . . 100 LEU CO . 7244 1 491 . 1 1 100 100 LEU CA C 13 55.03 0.05 . 1 . . . . 100 LEU CA . 7244 1 492 . 1 1 100 100 LEU CB C 13 42.19 0.05 . 1 . . . . 100 LEU CB . 7244 1 493 . 1 1 100 100 LEU N N 15 122.99 0.05 . 1 . . . . 100 LEU N . 7244 1 494 . 1 1 101 101 ARG H H 1 8.50 0.05 . 1 . . . . 101 ARG HN . 7244 1 495 . 1 1 101 101 ARG N N 15 123.52 0.05 . 1 . . . . 101 ARG N . 7244 1 496 . 1 1 102 102 PRO C C 13 177.07 0.05 . 1 . . . . 102 PRO CO . 7244 1 497 . 1 1 102 102 PRO CA C 13 63.15 0.05 . 1 . . . . 102 PRO CA . 7244 1 498 . 1 1 102 102 PRO CB C 13 32.23 0.05 . 1 . . . . 102 PRO CB . 7244 1 499 . 1 1 103 103 SER H H 1 8.63 0.05 . 1 . . . . 103 SER HN . 7244 1 500 . 1 1 103 103 SER C C 13 173.95 0.05 . 1 . . . . 103 SER CO . 7244 1 501 . 1 1 103 103 SER CA C 13 58.31 0.05 . 1 . . . . 103 SER CA . 7244 1 502 . 1 1 103 103 SER CB C 13 63.89 0.05 . 1 . . . . 103 SER CB . 7244 1 503 . 1 1 103 103 SER N N 15 116.93 0.05 . 1 . . . . 103 SER N . 7244 1 504 . 1 1 104 104 ALA H H 1 8.52 0.05 . 1 . . . . 104 ALA HN . 7244 1 505 . 1 1 104 104 ALA N N 15 127.36 0.05 . 1 . . . . 104 ALA N . 7244 1 506 . 1 1 105 105 PRO C C 13 177.06 0.05 . 1 . . . . 105 PRO CO . 7244 1 507 . 1 1 105 105 PRO CA C 13 63.14 0.05 . 1 . . . . 105 PRO CA . 7244 1 508 . 1 1 105 105 PRO CB C 13 32.16 0.05 . 1 . . . . 105 PRO CB . 7244 1 509 . 1 1 106 106 GLN H H 1 8.74 0.05 . 1 . . . . 106 GLN HN . 7244 1 510 . 1 1 106 106 GLN C C 13 176.13 0.05 . 1 . . . . 106 GLN CO . 7244 1 511 . 1 1 106 106 GLN CA C 13 55.88 0.05 . 1 . . . . 106 GLN CA . 7244 1 512 . 1 1 106 106 GLN CB C 13 29.63 0.05 . 1 . . . . 106 GLN CB . 7244 1 513 . 1 1 106 106 GLN N N 15 121.25 0.05 . 1 . . . . 106 GLN N . 7244 1 514 . 1 1 107 107 GLN H H 1 8.70 0.05 . 1 . . . . 107 GLN HN . 7244 1 515 . 1 1 107 107 GLN C C 13 176.04 0.05 . 1 . . . . 107 GLN CO . 7244 1 516 . 1 1 107 107 GLN CA C 13 55.78 0.05 . 1 . . . . 107 GLN CA . 7244 1 517 . 1 1 107 107 GLN CB C 13 29.71 0.05 . 1 . . . . 107 GLN CB . 7244 1 518 . 1 1 107 107 GLN N N 15 122.46 0.05 . 1 . . . . 107 GLN N . 7244 1 519 . 1 1 108 108 GLU H H 1 8.78 0.05 . 1 . . . . 108 GLU HN . 7244 1 520 . 1 1 108 108 GLU C C 13 177.14 0.05 . 1 . . . . 108 GLU CO . 7244 1 521 . 1 1 108 108 GLU CA C 13 56.91 0.05 . 1 . . . . 108 GLU CA . 7244 1 522 . 1 1 108 108 GLU CB C 13 30.34 0.05 . 1 . . . . 108 GLU CB . 7244 1 523 . 1 1 108 108 GLU N N 15 123.37 0.05 . 1 . . . . 108 GLU N . 7244 1 524 . 1 1 109 109 GLY H H 1 8.70 0.05 . 1 . . . . 109 GLY HN . 7244 1 525 . 1 1 109 109 GLY C C 13 174.24 0.05 . 1 . . . . 109 GLY CO . 7244 1 526 . 1 1 109 109 GLY CA C 13 45.21 0.05 . 1 . . . . 109 GLY CA . 7244 1 527 . 1 1 109 109 GLY N N 15 110.77 0.05 . 1 . . . . 109 GLY N . 7244 1 528 . 1 1 110 110 GLU H H 1 8.42 0.05 . 1 . . . . 110 GLU HN . 7244 1 529 . 1 1 110 110 GLU C C 13 176.63 0.05 . 1 . . . . 110 GLU CO . 7244 1 530 . 1 1 110 110 GLU CA C 13 56.54 0.05 . 1 . . . . 110 GLU CA . 7244 1 531 . 1 1 110 110 GLU CB C 13 30.55 0.05 . 1 . . . . 110 GLU CB . 7244 1 532 . 1 1 110 110 GLU N N 15 120.98 0.05 . 1 . . . . 110 GLU N . 7244 1 533 . 1 1 111 111 ALA H H 1 8.61 0.05 . 1 . . . . 111 ALA HN . 7244 1 534 . 1 1 111 111 ALA C C 13 178.09 0.05 . 1 . . . . 111 ALA CO . 7244 1 535 . 1 1 111 111 ALA CA C 13 52.67 0.05 . 1 . . . . 111 ALA CA . 7244 1 536 . 1 1 111 111 ALA CB C 13 19.13 0.05 . 1 . . . . 111 ALA CB . 7244 1 537 . 1 1 111 111 ALA N N 15 125.57 0.05 . 1 . . . . 111 ALA N . 7244 1 538 . 1 1 112 112 SER H H 1 8.51 0.05 . 1 . . . . 112 SER HN . 7244 1 539 . 1 1 112 112 SER C C 13 174.86 0.05 . 1 . . . . 112 SER CO . 7244 1 540 . 1 1 112 112 SER CA C 13 58.53 0.05 . 1 . . . . 112 SER CA . 7244 1 541 . 1 1 112 112 SER CB C 13 63.72 0.05 . 1 . . . . 112 SER CB . 7244 1 542 . 1 1 112 112 SER N N 15 115.66 0.05 . 1 . . . . 112 SER N . 7244 1 543 . 1 1 113 113 LYS H H 1 8.53 0.05 . 1 . . . . 113 LYS HN . 7244 1 544 . 1 1 113 113 LYS C C 13 176.67 0.05 . 1 . . . . 113 LYS CO . 7244 1 545 . 1 1 113 113 LYS CA C 13 56.52 0.05 . 1 . . . . 113 LYS CA . 7244 1 546 . 1 1 113 113 LYS CB C 13 33.18 0.05 . 1 . . . . 113 LYS CB . 7244 1 547 . 1 1 113 113 LYS N N 15 124.00 0.05 . 1 . . . . 113 LYS N . 7244 1 548 . 1 1 114 114 GLU H H 1 8.60 0.05 . 1 . . . . 114 GLU HN . 7244 1 549 . 1 1 114 114 GLU C C 13 176.56 0.05 . 1 . . . . 114 GLU CO . 7244 1 550 . 1 1 114 114 GLU CA C 13 56.71 0.05 . 1 . . . . 114 GLU CA . 7244 1 551 . 1 1 114 114 GLU CB C 13 30.19 0.05 . 1 . . . . 114 GLU CB . 7244 1 552 . 1 1 114 114 GLU N N 15 122.37 0.05 . 1 . . . . 114 GLU N . 7244 1 553 . 1 1 115 115 LYS H H 1 8.53 0.05 . 1 . . . . 115 LYS HN . 7244 1 554 . 1 1 115 115 LYS C C 13 176.53 0.05 . 1 . . . . 115 LYS CO . 7244 1 555 . 1 1 115 115 LYS CA C 13 56.35 0.05 . 1 . . . . 115 LYS CA . 7244 1 556 . 1 1 115 115 LYS CB C 13 33.18 0.05 . 1 . . . . 115 LYS CB . 7244 1 557 . 1 1 115 115 LYS N N 15 122.59 0.05 . 1 . . . . 115 LYS N . 7244 1 558 . 1 1 116 116 GLU H H 1 8.63 0.05 . 1 . . . . 116 GLU HN . 7244 1 559 . 1 1 116 116 GLU C C 13 176.43 0.05 . 1 . . . . 116 GLU CO . 7244 1 560 . 1 1 116 116 GLU CA C 13 56.47 0.05 . 1 . . . . 116 GLU CA . 7244 1 561 . 1 1 116 116 GLU CB C 13 30.48 0.05 . 1 . . . . 116 GLU CB . 7244 1 562 . 1 1 116 116 GLU N N 15 123.24 0.05 . 1 . . . . 116 GLU N . 7244 1 563 . 1 1 117 117 GLU H H 1 8.67 0.05 . 1 . . . . 117 GLU HN . 7244 1 564 . 1 1 117 117 GLU C C 13 176.37 0.05 . 1 . . . . 117 GLU CO . 7244 1 565 . 1 1 117 117 GLU CA C 13 56.34 0.05 . 1 . . . . 117 GLU CA . 7244 1 566 . 1 1 117 117 GLU CB C 13 30.49 0.05 . 1 . . . . 117 GLU CB . 7244 1 567 . 1 1 117 117 GLU N N 15 123.37 0.05 . 1 . . . . 117 GLU N . 7244 1 568 . 1 1 118 118 VAL H H 1 8.49 0.05 . 1 . . . . 118 VAL HN . 7244 1 569 . 1 1 118 118 VAL C C 13 175.91 0.05 . 1 . . . . 118 VAL CO . 7244 1 570 . 1 1 118 118 VAL CA C 13 62.08 0.05 . 1 . . . . 118 VAL CA . 7244 1 571 . 1 1 118 118 VAL CB C 13 33.02 0.05 . 1 . . . . 118 VAL CB . 7244 1 572 . 1 1 118 118 VAL N N 15 123.00 0.05 . 1 . . . . 118 VAL N . 7244 1 573 . 1 1 119 119 ALA H H 1 8.66 0.05 . 1 . . . . 119 ALA HN . 7244 1 574 . 1 1 119 119 ALA C C 13 177.82 0.05 . 1 . . . . 119 ALA CO . 7244 1 575 . 1 1 119 119 ALA CA C 13 52.47 0.05 . 1 . . . . 119 ALA CA . 7244 1 576 . 1 1 119 119 ALA CB C 13 19.34 0.05 . 1 . . . . 119 ALA CB . 7244 1 577 . 1 1 119 119 ALA N N 15 129.28 0.05 . 1 . . . . 119 ALA N . 7244 1 578 . 1 1 120 120 GLU H H 1 8.64 0.05 . 1 . . . . 120 GLU HN . 7244 1 579 . 1 1 120 120 GLU C C 13 176.74 0.05 . 1 . . . . 120 GLU CO . 7244 1 580 . 1 1 120 120 GLU CA C 13 56.65 0.05 . 1 . . . . 120 GLU CA . 7244 1 581 . 1 1 120 120 GLU CB C 13 30.51 0.05 . 1 . . . . 120 GLU CB . 7244 1 582 . 1 1 120 120 GLU N N 15 121.44 0.05 . 1 . . . . 120 GLU N . 7244 1 583 . 1 1 121 121 GLU H H 1 8.69 0.05 . 1 . . . . 121 GLU HN . 7244 1 584 . 1 1 121 121 GLU C C 13 176.38 0.05 . 1 . . . . 121 GLU CO . 7244 1 585 . 1 1 121 121 GLU CA C 13 56.53 0.05 . 1 . . . . 121 GLU CA . 7244 1 586 . 1 1 121 121 GLU CB C 13 30.35 0.05 . 1 . . . . 121 GLU CB . 7244 1 587 . 1 1 121 121 GLU N N 15 122.89 0.05 . 1 . . . . 121 GLU N . 7244 1 588 . 1 1 122 122 ALA H H 1 8.59 0.05 . 1 . . . . 122 ALA HN . 7244 1 589 . 1 1 122 122 ALA C C 13 177.92 0.05 . 1 . . . . 122 ALA CO . 7244 1 590 . 1 1 122 122 ALA CA C 13 52.58 0.05 . 1 . . . . 122 ALA CA . 7244 1 591 . 1 1 122 122 ALA CB C 13 19.15 0.05 . 1 . . . . 122 ALA CB . 7244 1 592 . 1 1 122 122 ALA N N 15 125.97 0.05 . 1 . . . . 122 ALA N . 7244 1 593 . 1 1 123 123 GLN H H 1 8.63 0.05 . 1 . . . . 123 GLN HN . 7244 1 594 . 1 1 123 123 GLN C C 13 176.31 0.05 . 1 . . . . 123 GLN CO . 7244 1 595 . 1 1 123 123 GLN CA C 13 55.71 0.05 . 1 . . . . 123 GLN CA . 7244 1 596 . 1 1 123 123 GLN CB C 13 29.49 0.05 . 1 . . . . 123 GLN CB . 7244 1 597 . 1 1 123 123 GLN N N 15 120.40 0.05 . 1 . . . . 123 GLN N . 7244 1 598 . 1 1 124 124 SER H H 1 8.66 0.05 . 1 . . . . 124 SER HN . 7244 1 599 . 1 1 124 124 SER C C 13 175.21 0.05 . 1 . . . . 124 SER CO . 7244 1 600 . 1 1 124 124 SER CA C 13 58.44 0.05 . 1 . . . . 124 SER CA . 7244 1 601 . 1 1 124 124 SER CB C 13 63.99 0.05 . 1 . . . . 124 SER CB . 7244 1 602 . 1 1 124 124 SER N N 15 117.88 0.05 . 1 . . . . 124 SER N . 7244 1 603 . 1 1 125 125 GLY H H 1 8.72 0.05 . 1 . . . . 125 GLY HN . 7244 1 604 . 1 1 125 125 GLY C C 13 174.60 0.05 . 1 . . . . 125 GLY CO . 7244 1 605 . 1 1 125 125 GLY CA C 13 45.45 0.05 . 1 . . . . 125 GLY CA . 7244 1 606 . 1 1 125 125 GLY N N 15 111.44 0.05 . 1 . . . . 125 GLY N . 7244 1 607 . 1 1 126 126 GLY H H 1 8.45 0.05 . 1 . . . . 126 GLY HN . 7244 1 608 . 1 1 126 126 GLY C C 13 179.16 0.05 . 1 . . . . 126 GLY CO . 7244 1 609 . 1 1 126 126 GLY CA C 13 45.09 0.05 . 1 . . . . 126 GLY CA . 7244 1 610 . 1 1 126 126 GLY N N 15 109.54 0.05 . 1 . . . . 126 GLY N . 7244 1 611 . 1 1 127 127 ASP H H 1 8.19 0.05 . 1 . . . . 127 ASP HN . 7244 1 612 . 1 1 127 127 ASP C C 13 175.30 0.05 . 1 . . . . 127 ASP CO . 7244 1 613 . 1 1 127 127 ASP CB C 13 42.17 0.05 . 1 . . . . 127 ASP CB . 7244 1 614 . 1 1 127 127 ASP N N 15 125.92 0.05 . 1 . . . . 127 ASP N . 7244 1 stop_ save_