data_50765 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50765 _Entry.Title ; Assignments of free human Tsg101 UEV domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-02-16 _Entry.Accession_date 2021-02-16 _Entry.Last_release_date 2021-02-18 _Entry.Original_release_date 2021-02-18 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 Danai Moschidi . . . 0000-0003-2186-7693 50765 2 Francois-Xavier Cantrelle . . . 0000-0002-3413-5443 50765 3 Xavier Hanoulle . . . 0000-0002-3755-2680 50765 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50765 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 441 50765 '15N chemical shifts' 156 50765 '1H chemical shifts' 308 50765 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2023-09-11 . original BMRB . 50765 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50765 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 36740661 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Backbone NMR resonance assignment of the apo human Tsg101-UEV domain ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignm.' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 17 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _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 49 _Citation.Page_last 54 _Citation.Year 2023 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Danai Moschidi D. . . . 50765 1 2 Francois-Xavier Cantrelle F. X. . . 50765 1 3 Emmanuelle Boll E. . . . 50765 1 4 Xavier Hanoulle X. . . . 50765 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'NMR Spectroscopy' 50765 1 'Prolines Assignments' 50765 1 'Protein-protein interactions' 50765 1 'Tsg101 UEV domain' 50765 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50765 _Assembly.ID 1 _Assembly.Name Tsg101_UEV _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 16742.51 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Tsg101_UEV 1 $entity_1 . . yes native no no . . . 50765 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50765 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; GAMAVSESQLKKMVSKYKYR DLTVRETVNVITLYKDLKPV LDSYVFNDGSSRELMNLTGT IPVPYRGNTYNIPICLWLLD TYPYNPPICFVKPTSSMTIK TGKHVDANGKIYLPYLHEWK HPQSDLLGLIQVMIVVFGDE PPVFSRP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; M,1 A,2 V,3 . . . . . S,143 R,144 P,145 ; _Entity.Polymer_author_seq_details ; The author sequence numbering is the Uniprot Q99816 numbering without the 2 first residues from polymer sequence due to cloning tag. ; _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 147 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 yes UNP Q99816 . TS101_HUMAN . . . . . . . . . . . . . . 50765 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -1 GLY . 50765 1 2 0 ALA . 50765 1 3 1 MET . 50765 1 4 2 ALA . 50765 1 5 3 VAL . 50765 1 6 4 SER . 50765 1 7 5 GLU . 50765 1 8 6 SER . 50765 1 9 7 GLN . 50765 1 10 8 LEU . 50765 1 11 9 LYS . 50765 1 12 10 LYS . 50765 1 13 11 MET . 50765 1 14 12 VAL . 50765 1 15 13 SER . 50765 1 16 14 LYS . 50765 1 17 15 TYR . 50765 1 18 16 LYS . 50765 1 19 17 TYR . 50765 1 20 18 ARG . 50765 1 21 19 ASP . 50765 1 22 20 LEU . 50765 1 23 21 THR . 50765 1 24 22 VAL . 50765 1 25 23 ARG . 50765 1 26 24 GLU . 50765 1 27 25 THR . 50765 1 28 26 VAL . 50765 1 29 27 ASN . 50765 1 30 28 VAL . 50765 1 31 29 ILE . 50765 1 32 30 THR . 50765 1 33 31 LEU . 50765 1 34 32 TYR . 50765 1 35 33 LYS . 50765 1 36 34 ASP . 50765 1 37 35 LEU . 50765 1 38 36 LYS . 50765 1 39 37 PRO . 50765 1 40 38 VAL . 50765 1 41 39 LEU . 50765 1 42 40 ASP . 50765 1 43 41 SER . 50765 1 44 42 TYR . 50765 1 45 43 VAL . 50765 1 46 44 PHE . 50765 1 47 45 ASN . 50765 1 48 46 ASP . 50765 1 49 47 GLY . 50765 1 50 48 SER . 50765 1 51 49 SER . 50765 1 52 50 ARG . 50765 1 53 51 GLU . 50765 1 54 52 LEU . 50765 1 55 53 MET . 50765 1 56 54 ASN . 50765 1 57 55 LEU . 50765 1 58 56 THR . 50765 1 59 57 GLY . 50765 1 60 58 THR . 50765 1 61 59 ILE . 50765 1 62 60 PRO . 50765 1 63 61 VAL . 50765 1 64 62 PRO . 50765 1 65 63 TYR . 50765 1 66 64 ARG . 50765 1 67 65 GLY . 50765 1 68 66 ASN . 50765 1 69 67 THR . 50765 1 70 68 TYR . 50765 1 71 69 ASN . 50765 1 72 70 ILE . 50765 1 73 71 PRO . 50765 1 74 72 ILE . 50765 1 75 73 CYS . 50765 1 76 74 LEU . 50765 1 77 75 TRP . 50765 1 78 76 LEU . 50765 1 79 77 LEU . 50765 1 80 78 ASP . 50765 1 81 79 THR . 50765 1 82 80 TYR . 50765 1 83 81 PRO . 50765 1 84 82 TYR . 50765 1 85 83 ASN . 50765 1 86 84 PRO . 50765 1 87 85 PRO . 50765 1 88 86 ILE . 50765 1 89 87 CYS . 50765 1 90 88 PHE . 50765 1 91 89 VAL . 50765 1 92 90 LYS . 50765 1 93 91 PRO . 50765 1 94 92 THR . 50765 1 95 93 SER . 50765 1 96 94 SER . 50765 1 97 95 MET . 50765 1 98 96 THR . 50765 1 99 97 ILE . 50765 1 100 98 LYS . 50765 1 101 99 THR . 50765 1 102 100 GLY . 50765 1 103 101 LYS . 50765 1 104 102 HIS . 50765 1 105 103 VAL . 50765 1 106 104 ASP . 50765 1 107 105 ALA . 50765 1 108 106 ASN . 50765 1 109 107 GLY . 50765 1 110 108 LYS . 50765 1 111 109 ILE . 50765 1 112 110 TYR . 50765 1 113 111 LEU . 50765 1 114 112 PRO . 50765 1 115 113 TYR . 50765 1 116 114 LEU . 50765 1 117 115 HIS . 50765 1 118 116 GLU . 50765 1 119 117 TRP . 50765 1 120 118 LYS . 50765 1 121 119 HIS . 50765 1 122 120 PRO . 50765 1 123 121 GLN . 50765 1 124 122 SER . 50765 1 125 123 ASP . 50765 1 126 124 LEU . 50765 1 127 125 LEU . 50765 1 128 126 GLY . 50765 1 129 127 LEU . 50765 1 130 128 ILE . 50765 1 131 129 GLN . 50765 1 132 130 VAL . 50765 1 133 131 MET . 50765 1 134 132 ILE . 50765 1 135 133 VAL . 50765 1 136 134 VAL . 50765 1 137 135 PHE . 50765 1 138 136 GLY . 50765 1 139 137 ASP . 50765 1 140 138 GLU . 50765 1 141 139 PRO . 50765 1 142 140 PRO . 50765 1 143 141 VAL . 50765 1 144 142 PHE . 50765 1 145 143 SER . 50765 1 146 144 ARG . 50765 1 147 145 PRO . 50765 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 50765 1 . ALA 2 2 50765 1 . MET 3 3 50765 1 . ALA 4 4 50765 1 . VAL 5 5 50765 1 . SER 6 6 50765 1 . GLU 7 7 50765 1 . SER 8 8 50765 1 . GLN 9 9 50765 1 . LEU 10 10 50765 1 . LYS 11 11 50765 1 . LYS 12 12 50765 1 . MET 13 13 50765 1 . VAL 14 14 50765 1 . SER 15 15 50765 1 . LYS 16 16 50765 1 . TYR 17 17 50765 1 . LYS 18 18 50765 1 . TYR 19 19 50765 1 . ARG 20 20 50765 1 . ASP 21 21 50765 1 . LEU 22 22 50765 1 . THR 23 23 50765 1 . VAL 24 24 50765 1 . ARG 25 25 50765 1 . GLU 26 26 50765 1 . THR 27 27 50765 1 . VAL 28 28 50765 1 . ASN 29 29 50765 1 . VAL 30 30 50765 1 . ILE 31 31 50765 1 . THR 32 32 50765 1 . LEU 33 33 50765 1 . TYR 34 34 50765 1 . LYS 35 35 50765 1 . ASP 36 36 50765 1 . LEU 37 37 50765 1 . LYS 38 38 50765 1 . PRO 39 39 50765 1 . VAL 40 40 50765 1 . LEU 41 41 50765 1 . ASP 42 42 50765 1 . SER 43 43 50765 1 . TYR 44 44 50765 1 . VAL 45 45 50765 1 . PHE 46 46 50765 1 . ASN 47 47 50765 1 . ASP 48 48 50765 1 . GLY 49 49 50765 1 . SER 50 50 50765 1 . SER 51 51 50765 1 . ARG 52 52 50765 1 . GLU 53 53 50765 1 . LEU 54 54 50765 1 . MET 55 55 50765 1 . ASN 56 56 50765 1 . LEU 57 57 50765 1 . THR 58 58 50765 1 . GLY 59 59 50765 1 . THR 60 60 50765 1 . ILE 61 61 50765 1 . PRO 62 62 50765 1 . VAL 63 63 50765 1 . PRO 64 64 50765 1 . TYR 65 65 50765 1 . ARG 66 66 50765 1 . GLY 67 67 50765 1 . ASN 68 68 50765 1 . THR 69 69 50765 1 . TYR 70 70 50765 1 . ASN 71 71 50765 1 . ILE 72 72 50765 1 . PRO 73 73 50765 1 . ILE 74 74 50765 1 . CYS 75 75 50765 1 . LEU 76 76 50765 1 . TRP 77 77 50765 1 . LEU 78 78 50765 1 . LEU 79 79 50765 1 . ASP 80 80 50765 1 . THR 81 81 50765 1 . TYR 82 82 50765 1 . PRO 83 83 50765 1 . TYR 84 84 50765 1 . ASN 85 85 50765 1 . PRO 86 86 50765 1 . PRO 87 87 50765 1 . ILE 88 88 50765 1 . CYS 89 89 50765 1 . PHE 90 90 50765 1 . VAL 91 91 50765 1 . LYS 92 92 50765 1 . PRO 93 93 50765 1 . THR 94 94 50765 1 . SER 95 95 50765 1 . SER 96 96 50765 1 . MET 97 97 50765 1 . THR 98 98 50765 1 . ILE 99 99 50765 1 . LYS 100 100 50765 1 . THR 101 101 50765 1 . GLY 102 102 50765 1 . LYS 103 103 50765 1 . HIS 104 104 50765 1 . VAL 105 105 50765 1 . ASP 106 106 50765 1 . ALA 107 107 50765 1 . ASN 108 108 50765 1 . GLY 109 109 50765 1 . LYS 110 110 50765 1 . ILE 111 111 50765 1 . TYR 112 112 50765 1 . LEU 113 113 50765 1 . PRO 114 114 50765 1 . TYR 115 115 50765 1 . LEU 116 116 50765 1 . HIS 117 117 50765 1 . GLU 118 118 50765 1 . TRP 119 119 50765 1 . LYS 120 120 50765 1 . HIS 121 121 50765 1 . PRO 122 122 50765 1 . GLN 123 123 50765 1 . SER 124 124 50765 1 . ASP 125 125 50765 1 . LEU 126 126 50765 1 . LEU 127 127 50765 1 . GLY 128 128 50765 1 . LEU 129 129 50765 1 . ILE 130 130 50765 1 . GLN 131 131 50765 1 . VAL 132 132 50765 1 . MET 133 133 50765 1 . ILE 134 134 50765 1 . VAL 135 135 50765 1 . VAL 136 136 50765 1 . PHE 137 137 50765 1 . GLY 138 138 50765 1 . ASP 139 139 50765 1 . GLU 140 140 50765 1 . PRO 141 141 50765 1 . PRO 142 142 50765 1 . VAL 143 143 50765 1 . PHE 144 144 50765 1 . SER 145 145 50765 1 . ARG 146 146 50765 1 . PRO 147 147 50765 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50765 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 50765 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50765 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' . . plasmid . . pET28a . . . 50765 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50765 _Sample.ID 1 _Sample.Name Tsg101_UEV_s1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Buffer: 50mM NaPi pH 6.1, 50mM NaCl, 0.1mM EDTA' _Sample.Aggregate_sample_number 1 _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 Tsg101_UEV '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 330 . . uM . . . . 50765 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 50765 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 50765 1 4 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 50765 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 50765 _Sample_condition_list.ID 1 _Sample_condition_list.Name condition_1 _Sample_condition_list.Details 'Buffer: 50mM NaPi pH 6.1, 50mM NaCl, 0.1mM EDTA' 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' 0.05 . M 50765 1 pH 6.1 . pH 50765 1 pressure 1 . atm 50765 1 temperature 298 . K 50765 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50765 _Software.ID 1 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50765 1 'data analysis' . 50765 1 'peak picking' . 50765 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50765 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 50765 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50765 _Software.ID 3 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 50765 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 50765 _Software.ID 4 _Software.Type . _Software.Name qMDD _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 50765 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 50765 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name AVIIIHD600 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50765 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50765 1 2 '3D CBCANH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50765 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50765 1 4 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50765 1 5 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50765 1 6 '3D HN(CA)NNH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50765 1 7 '3D HCAN' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50765 1 8 '3D HNHA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50765 1 9 '3D (H)CACON' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50765 1 10 '2D CON' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50765 1 11 '2D CACO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50765 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 50765 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name ref_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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 TSP 'methyl protons' . . . . ppm 0 internal indirect 0.251449530 . . . . . 50765 1 H 1 TSP 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 50765 1 N 15 TSP 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . 50765 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 50765 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name list_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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 50765 1 2 '3D CBCANH' . . . 50765 1 3 '3D CBCA(CO)NH' . . . 50765 1 4 '3D HNCO' . . . 50765 1 5 '3D HN(CA)CO' . . . 50765 1 6 '3D HN(CA)NNH' . . . 50765 1 7 '3D HCAN' . . . 50765 1 8 '3D HNHA' . . . 50765 1 9 '3D (H)CACON' . . . 50765 1 10 '2D CON' . . . 50765 1 11 '2D CACO' . . . 50765 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 $software_1 . . 50765 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 3 3 MET H H 1 8.447 0.00 . 1 . . . . . 1 MET H . 50765 1 2 . 1 . 1 3 3 MET HA H 1 4.502 0.00 . 1 . . . . . 1 MET HA . 50765 1 3 . 1 . 1 3 3 MET C C 13 176.137 0.00 . 1 . . . . . 1 MET CO . 50765 1 4 . 1 . 1 3 3 MET CA C 13 55.366 0.08 . 1 . . . . . 1 MET CA . 50765 1 5 . 1 . 1 3 3 MET CB C 13 33.613 0.04 . 1 . . . . . 1 MET CB . 50765 1 6 . 1 . 1 3 3 MET N N 15 119.810 0.01 . 1 . . . . . 1 MET N . 50765 1 7 . 1 . 1 4 4 ALA H H 1 8.515 0.00 . 1 . . . . . 2 ALA H . 50765 1 8 . 1 . 1 4 4 ALA HA H 1 4.311 0.00 . 1 . . . . . 2 ALA HA . 50765 1 9 . 1 . 1 4 4 ALA C C 13 177.634 0.01 . 1 . . . . . 2 ALA CO . 50765 1 10 . 1 . 1 4 4 ALA CA C 13 53.050 0.06 . 1 . . . . . 2 ALA CA . 50765 1 11 . 1 . 1 4 4 ALA CB C 13 19.513 0.01 . 1 . . . . . 2 ALA CB . 50765 1 12 . 1 . 1 4 4 ALA N N 15 125.686 0.02 . 1 . . . . . 2 ALA N . 50765 1 13 . 1 . 1 5 5 VAL H H 1 7.919 0.00 . 1 . . . . . 3 VAL H . 50765 1 14 . 1 . 1 5 5 VAL HA H 1 4.199 0.00 . 1 . . . . . 3 VAL HA . 50765 1 15 . 1 . 1 5 5 VAL C C 13 174.869 0.01 . 1 . . . . . 3 VAL CO . 50765 1 16 . 1 . 1 5 5 VAL CA C 13 61.576 0.08 . 1 . . . . . 3 VAL CA . 50765 1 17 . 1 . 1 5 5 VAL CB C 13 33.208 0.01 . 1 . . . . . 3 VAL CB . 50765 1 18 . 1 . 1 5 5 VAL N N 15 118.168 0.03 . 1 . . . . . 3 VAL N . 50765 1 19 . 1 . 1 6 6 SER H H 1 8.343 0.00 . 1 . . . . . 4 SER H . 50765 1 20 . 1 . 1 6 6 SER HA H 1 4.569 0.00 . 1 . . . . . 4 SER HA . 50765 1 21 . 1 . 1 6 6 SER C C 13 175.192 0.01 . 1 . . . . . 4 SER CO . 50765 1 22 . 1 . 1 6 6 SER CA C 13 57.048 0.10 . 1 . . . . . 4 SER CA . 50765 1 23 . 1 . 1 6 6 SER CB C 13 65.285 0.03 . 1 . . . . . 4 SER CB . 50765 1 24 . 1 . 1 6 6 SER N N 15 119.868 0.02 . 1 . . . . . 4 SER N . 50765 1 25 . 1 . 1 7 7 GLU H H 1 9.087 0.00 . 1 . . . . . 5 GLU H . 50765 1 26 . 1 . 1 7 7 GLU HA H 1 3.785 0.00 . 1 . . . . . 5 GLU HA . 50765 1 27 . 1 . 1 7 7 GLU C C 13 178.223 0.02 . 1 . . . . . 5 GLU CO . 50765 1 28 . 1 . 1 7 7 GLU CA C 13 60.477 0.09 . 1 . . . . . 5 GLU CA . 50765 1 29 . 1 . 1 7 7 GLU CB C 13 29.454 0.01 . 1 . . . . . 5 GLU CB . 50765 1 30 . 1 . 1 7 7 GLU N N 15 122.918 0.05 . 1 . . . . . 5 GLU N . 50765 1 31 . 1 . 1 8 8 SER H H 1 8.401 0.00 . 1 . . . . . 6 SER H . 50765 1 32 . 1 . 1 8 8 SER HA H 1 4.092 0.00 . 1 . . . . . 6 SER HA . 50765 1 33 . 1 . 1 8 8 SER C C 13 177.375 0.04 . 1 . . . . . 6 SER CO . 50765 1 34 . 1 . 1 8 8 SER CA C 13 61.513 0.03 . 1 . . . . . 6 SER CA . 50765 1 35 . 1 . 1 8 8 SER CB C 13 62.379 0.02 . 1 . . . . . 6 SER CB . 50765 1 36 . 1 . 1 8 8 SER N N 15 113.114 0.06 . 1 . . . . . 6 SER N . 50765 1 37 . 1 . 1 9 9 GLN H H 1 7.801 0.00 . 1 . . . . . 7 GLN H . 50765 1 38 . 1 . 1 9 9 GLN HA H 1 4.076 0.00 . 1 . . . . . 7 GLN HA . 50765 1 39 . 1 . 1 9 9 GLN HE21 H 1 7.419 0.00 . 2 . . . . . 7 GLN HE21 . 50765 1 40 . 1 . 1 9 9 GLN HE22 H 1 6.950 0.00 . 2 . . . . . 7 GLN HE22 . 50765 1 41 . 1 . 1 9 9 GLN C C 13 179.065 0.00 . 1 . . . . . 7 GLN CO . 50765 1 42 . 1 . 1 9 9 GLN CA C 13 58.636 0.01 . 1 . . . . . 7 GLN CA . 50765 1 43 . 1 . 1 9 9 GLN CB C 13 28.604 0.01 . 1 . . . . . 7 GLN CB . 50765 1 44 . 1 . 1 9 9 GLN CG C 13 33.972 0.07 . 1 . . . . . 7 GLN CG . 50765 1 45 . 1 . 1 9 9 GLN CD C 13 179.909 0.00 . 1 . . . . . 7 GLN CD . 50765 1 46 . 1 . 1 9 9 GLN N N 15 122.488 0.03 . 1 . . . . . 7 GLN N . 50765 1 47 . 1 . 1 9 9 GLN NE2 N 15 111.612 0.23 . 1 . . . . . 7 GLN NE2 . 50765 1 48 . 1 . 1 10 10 LEU H H 1 8.242 0.00 . 1 . . . . . 8 LEU H . 50765 1 49 . 1 . 1 10 10 LEU HA H 1 4.068 0.00 . 1 . . . . . 8 LEU HA . 50765 1 50 . 1 . 1 10 10 LEU C C 13 178.225 0.02 . 1 . . . . . 8 LEU CO . 50765 1 51 . 1 . 1 10 10 LEU CA C 13 58.085 0.06 . 1 . . . . . 8 LEU CA . 50765 1 52 . 1 . 1 10 10 LEU CB C 13 42.636 0.07 . 1 . . . . . 8 LEU CB . 50765 1 53 . 1 . 1 10 10 LEU N N 15 121.570 0.03 . 1 . . . . . 8 LEU N . 50765 1 54 . 1 . 1 11 11 LYS H H 1 8.271 0.00 . 1 . . . . . 9 LYS H . 50765 1 55 . 1 . 1 11 11 LYS HA H 1 3.586 0.00 . 1 . . . . . 9 LYS HA . 50765 1 56 . 1 . 1 11 11 LYS C C 13 178.835 0.02 . 1 . . . . . 9 LYS CO . 50765 1 57 . 1 . 1 11 11 LYS CA C 13 60.171 0.05 . 1 . . . . . 9 LYS CA . 50765 1 58 . 1 . 1 11 11 LYS CB C 13 32.553 0.01 . 1 . . . . . 9 LYS CB . 50765 1 59 . 1 . 1 11 11 LYS N N 15 116.428 0.02 . 1 . . . . . 9 LYS N . 50765 1 60 . 1 . 1 12 12 LYS H H 1 7.205 0.00 . 1 . . . . . 10 LYS H . 50765 1 61 . 1 . 1 12 12 LYS HA H 1 4.086 0.00 . 1 . . . . . 10 LYS HA . 50765 1 62 . 1 . 1 12 12 LYS C C 13 179.701 0.02 . 1 . . . . . 10 LYS CO . 50765 1 63 . 1 . 1 12 12 LYS CA C 13 59.005 0.09 . 1 . . . . . 10 LYS CA . 50765 1 64 . 1 . 1 12 12 LYS CB C 13 32.400 0.02 . 1 . . . . . 10 LYS CB . 50765 1 65 . 1 . 1 12 12 LYS N N 15 116.874 0.03 . 1 . . . . . 10 LYS N . 50765 1 66 . 1 . 1 13 13 MET H H 1 7.953 0.00 . 1 . . . . . 11 MET H . 50765 1 67 . 1 . 1 13 13 MET HA H 1 4.092 0.00 . 1 . . . . . 11 MET HA . 50765 1 68 . 1 . 1 13 13 MET C C 13 177.352 0.01 . 1 . . . . . 11 MET CO . 50765 1 69 . 1 . 1 13 13 MET CA C 13 59.746 0.11 . 1 . . . . . 11 MET CA . 50765 1 70 . 1 . 1 13 13 MET CB C 13 34.159 0.01 . 1 . . . . . 11 MET CB . 50765 1 71 . 1 . 1 13 13 MET N N 15 119.882 0.02 . 1 . . . . . 11 MET N . 50765 1 72 . 1 . 1 14 14 VAL H H 1 7.300 0.00 . 1 . . . . . 12 VAL H . 50765 1 73 . 1 . 1 14 14 VAL HA H 1 4.510 0.00 . 1 . . . . . 12 VAL HA . 50765 1 74 . 1 . 1 14 14 VAL C C 13 177.075 0.02 . 1 . . . . . 12 VAL CO . 50765 1 75 . 1 . 1 14 14 VAL CA C 13 59.399 0.06 . 1 . . . . . 12 VAL CA . 50765 1 76 . 1 . 1 14 14 VAL CB C 13 29.736 0.00 . 1 . . . . . 12 VAL CB . 50765 1 77 . 1 . 1 14 14 VAL N N 15 106.864 0.05 . 1 . . . . . 12 VAL N . 50765 1 78 . 1 . 1 15 15 SER H H 1 7.128 0.00 . 1 . . . . . 13 SER H . 50765 1 79 . 1 . 1 15 15 SER HA H 1 4.506 0.00 . 1 . . . . . 13 SER HA . 50765 1 80 . 1 . 1 15 15 SER C C 13 176.296 0.02 . 1 . . . . . 13 SER CO . 50765 1 81 . 1 . 1 15 15 SER CA C 13 62.304 0.13 . 1 . . . . . 13 SER CA . 50765 1 82 . 1 . 1 15 15 SER CB C 13 63.409 0.11 . 1 . . . . . 13 SER CB . 50765 1 83 . 1 . 1 15 15 SER N N 15 116.205 0.02 . 1 . . . . . 13 SER N . 50765 1 84 . 1 . 1 16 16 LYS H H 1 8.763 0.01 . 1 . . . . . 14 LYS H . 50765 1 85 . 1 . 1 16 16 LYS HA H 1 4.613 0.00 . 1 . . . . . 14 LYS HA . 50765 1 86 . 1 . 1 16 16 LYS C C 13 176.957 0.02 . 1 . . . . . 14 LYS CO . 50765 1 87 . 1 . 1 16 16 LYS CA C 13 55.819 0.07 . 1 . . . . . 14 LYS CA . 50765 1 88 . 1 . 1 16 16 LYS CB C 13 31.578 0.03 . 1 . . . . . 14 LYS CB . 50765 1 89 . 1 . 1 16 16 LYS N N 15 118.245 0.03 . 1 . . . . . 14 LYS N . 50765 1 90 . 1 . 1 17 17 TYR H H 1 8.418 0.00 . 1 . . . . . 15 TYR H . 50765 1 91 . 1 . 1 17 17 TYR HA H 1 4.317 0.00 . 1 . . . . . 15 TYR HA . 50765 1 92 . 1 . 1 17 17 TYR C C 13 176.091 0.01 . 1 . . . . . 15 TYR CO . 50765 1 93 . 1 . 1 17 17 TYR CA C 13 59.816 0.05 . 1 . . . . . 15 TYR CA . 50765 1 94 . 1 . 1 17 17 TYR CB C 13 35.195 0.03 . 1 . . . . . 15 TYR CB . 50765 1 95 . 1 . 1 17 17 TYR N N 15 125.223 0.04 . 1 . . . . . 15 TYR N . 50765 1 96 . 1 . 1 18 18 LYS H H 1 7.973 0.00 . 1 . . . . . 16 LYS H . 50765 1 97 . 1 . 1 18 18 LYS HA H 1 3.864 0.00 . 1 . . . . . 16 LYS HA . 50765 1 98 . 1 . 1 18 18 LYS C C 13 177.259 0.01 . 1 . . . . . 16 LYS CO . 50765 1 99 . 1 . 1 18 18 LYS CA C 13 59.041 0.10 . 1 . . . . . 16 LYS CA . 50765 1 100 . 1 . 1 18 18 LYS CB C 13 33.041 0.00 . 1 . . . . . 16 LYS CB . 50765 1 101 . 1 . 1 18 18 LYS N N 15 121.832 0.02 . 1 . . . . . 16 LYS N . 50765 1 102 . 1 . 1 19 19 TYR H H 1 10.068 0.00 . 1 . . . . . 17 TYR H . 50765 1 103 . 1 . 1 19 19 TYR HA H 1 5.042 0.00 . 1 . . . . . 17 TYR HA . 50765 1 104 . 1 . 1 19 19 TYR C C 13 177.478 0.01 . 1 . . . . . 17 TYR CO . 50765 1 105 . 1 . 1 19 19 TYR CA C 13 55.052 0.08 . 1 . . . . . 17 TYR CA . 50765 1 106 . 1 . 1 19 19 TYR CB C 13 35.195 0.00 . 1 . . . . . 17 TYR CB . 50765 1 107 . 1 . 1 19 19 TYR N N 15 122.557 0.03 . 1 . . . . . 17 TYR N . 50765 1 108 . 1 . 1 20 20 ARG H H 1 7.658 0.00 . 1 . . . . . 18 ARG H . 50765 1 109 . 1 . 1 20 20 ARG HA H 1 3.792 0.00 . 1 . . . . . 18 ARG HA . 50765 1 110 . 1 . 1 20 20 ARG C C 13 177.501 0.01 . 1 . . . . . 18 ARG CO . 50765 1 111 . 1 . 1 20 20 ARG CA C 13 61.003 0.09 . 1 . . . . . 18 ARG CA . 50765 1 112 . 1 . 1 20 20 ARG CB C 13 30.830 0.01 . 1 . . . . . 18 ARG CB . 50765 1 113 . 1 . 1 20 20 ARG N N 15 122.851 0.03 . 1 . . . . . 18 ARG N . 50765 1 114 . 1 . 1 21 21 ASP H H 1 8.700 0.01 . 1 . . . . . 19 ASP H . 50765 1 115 . 1 . 1 21 21 ASP HA H 1 4.404 0.00 . 1 . . . . . 19 ASP HA . 50765 1 116 . 1 . 1 21 21 ASP C C 13 179.562 0.01 . 1 . . . . . 19 ASP CO . 50765 1 117 . 1 . 1 21 21 ASP CA C 13 58.051 0.07 . 1 . . . . . 19 ASP CA . 50765 1 118 . 1 . 1 21 21 ASP CB C 13 39.528 0.01 . 1 . . . . . 19 ASP CB . 50765 1 119 . 1 . 1 21 21 ASP N N 15 118.471 0.02 . 1 . . . . . 19 ASP N . 50765 1 120 . 1 . 1 22 22 LEU H H 1 8.258 0.00 . 1 . . . . . 20 LEU H . 50765 1 121 . 1 . 1 22 22 LEU HA H 1 4.226 0.00 . 1 . . . . . 20 LEU HA . 50765 1 122 . 1 . 1 22 22 LEU C C 13 179.685 0.03 . 1 . . . . . 20 LEU CO . 50765 1 123 . 1 . 1 22 22 LEU CA C 13 58.224 0.07 . 1 . . . . . 20 LEU CA . 50765 1 124 . 1 . 1 22 22 LEU CB C 13 42.111 0.04 . 1 . . . . . 20 LEU CB . 50765 1 125 . 1 . 1 22 22 LEU N N 15 120.778 0.02 . 1 . . . . . 20 LEU N . 50765 1 126 . 1 . 1 23 23 THR H H 1 8.179 0.00 . 1 . . . . . 21 THR H . 50765 1 127 . 1 . 1 23 23 THR HA H 1 3.942 0.00 . 1 . . . . . 21 THR HA . 50765 1 128 . 1 . 1 23 23 THR C C 13 177.944 0.28 . 1 . . . . . 21 THR CO . 50765 1 129 . 1 . 1 23 23 THR CA C 13 68.817 0.11 . 1 . . . . . 21 THR CA . 50765 1 130 . 1 . 1 23 23 THR CB C 13 68.097 0.13 . 1 . . . . . 21 THR CB . 50765 1 131 . 1 . 1 23 23 THR N N 15 116.623 0.04 . 1 . . . . . 21 THR N . 50765 1 132 . 1 . 1 24 24 VAL H H 1 8.803 0.00 . 1 . . . . . 22 VAL H . 50765 1 133 . 1 . 1 24 24 VAL HA H 1 3.312 0.00 . 1 . . . . . 22 VAL HA . 50765 1 134 . 1 . 1 24 24 VAL C C 13 176.947 0.50 . 1 . . . . . 22 VAL CO . 50765 1 135 . 1 . 1 24 24 VAL CA C 13 67.982 0.10 . 1 . . . . . 22 VAL CA . 50765 1 136 . 1 . 1 24 24 VAL CB C 13 31.738 0.01 . 1 . . . . . 22 VAL CB . 50765 1 137 . 1 . 1 24 24 VAL N N 15 123.630 0.05 . 1 . . . . . 22 VAL N . 50765 1 138 . 1 . 1 25 25 ARG H H 1 7.992 0.00 . 1 . . . . . 23 ARG H . 50765 1 139 . 1 . 1 25 25 ARG HA H 1 3.953 0.00 . 1 . . . . . 23 ARG HA . 50765 1 140 . 1 . 1 25 25 ARG C C 13 178.980 0.01 . 1 . . . . . 23 ARG CO . 50765 1 141 . 1 . 1 25 25 ARG CA C 13 59.626 0.11 . 1 . . . . . 23 ARG CA . 50765 1 142 . 1 . 1 25 25 ARG CB C 13 30.145 0.07 . 1 . . . . . 23 ARG CB . 50765 1 143 . 1 . 1 25 25 ARG N N 15 118.462 0.03 . 1 . . . . . 23 ARG N . 50765 1 144 . 1 . 1 26 26 GLU H H 1 7.949 0.00 . 1 . . . . . 24 GLU H . 50765 1 145 . 1 . 1 26 26 GLU HA H 1 4.276 0.00 . 1 . . . . . 24 GLU HA . 50765 1 146 . 1 . 1 26 26 GLU C C 13 178.985 0.00 . 1 . . . . . 24 GLU CO . 50765 1 147 . 1 . 1 26 26 GLU CA C 13 60.855 0.08 . 1 . . . . . 24 GLU CA . 50765 1 148 . 1 . 1 26 26 GLU CB C 13 30.605 0.01 . 1 . . . . . 24 GLU CB . 50765 1 149 . 1 . 1 26 26 GLU N N 15 116.361 0.04 . 1 . . . . . 24 GLU N . 50765 1 150 . 1 . 1 27 27 THR H H 1 8.052 0.00 . 1 . . . . . 25 THR H . 50765 1 151 . 1 . 1 27 27 THR HA H 1 3.628 0.00 . 1 . . . . . 25 THR HA . 50765 1 152 . 1 . 1 27 27 THR C C 13 176.426 0.01 . 1 . . . . . 25 THR CO . 50765 1 153 . 1 . 1 27 27 THR CA C 13 68.752 0.06 . 1 . . . . . 25 THR CA . 50765 1 154 . 1 . 1 27 27 THR CB C 13 67.350 0.21 . 1 . . . . . 25 THR CB . 50765 1 155 . 1 . 1 27 27 THR N N 15 115.948 0.03 . 1 . . . . . 25 THR N . 50765 1 156 . 1 . 1 28 28 VAL H H 1 8.714 0.00 . 1 . . . . . 26 VAL H . 50765 1 157 . 1 . 1 28 28 VAL HA H 1 3.527 0.00 . 1 . . . . . 26 VAL HA . 50765 1 158 . 1 . 1 28 28 VAL C C 13 178.996 0.01 . 1 . . . . . 26 VAL CO . 50765 1 159 . 1 . 1 28 28 VAL CA C 13 67.091 0.08 . 1 . . . . . 26 VAL CA . 50765 1 160 . 1 . 1 28 28 VAL CB C 13 31.599 0.05 . 1 . . . . . 26 VAL CB . 50765 1 161 . 1 . 1 28 28 VAL N N 15 121.229 0.04 . 1 . . . . . 26 VAL N . 50765 1 162 . 1 . 1 29 29 ASN H H 1 7.892 0.00 . 1 . . . . . 27 ASN H . 50765 1 163 . 1 . 1 29 29 ASN HA H 1 4.484 0.00 . 1 . . . . . 27 ASN HA . 50765 1 164 . 1 . 1 29 29 ASN HD21 H 1 7.748 0.00 . 2 . . . . . 27 ASN HD21 . 50765 1 165 . 1 . 1 29 29 ASN HD22 H 1 6.887 0.00 . 2 . . . . . 27 ASN HD22 . 50765 1 166 . 1 . 1 29 29 ASN C C 13 176.608 0.02 . 1 . . . . . 27 ASN CO . 50765 1 167 . 1 . 1 29 29 ASN CA C 13 56.073 0.03 . 1 . . . . . 27 ASN CA . 50765 1 168 . 1 . 1 29 29 ASN CB C 13 37.758 0.02 . 1 . . . . . 27 ASN CB . 50765 1 169 . 1 . 1 29 29 ASN CG C 13 175.536 0.00 . 1 . . . . . 27 ASN CG . 50765 1 170 . 1 . 1 29 29 ASN N N 15 119.605 0.03 . 1 . . . . . 27 ASN N . 50765 1 171 . 1 . 1 29 29 ASN ND2 N 15 111.168 0.21 . 1 . . . . . 27 ASN ND2 . 50765 1 172 . 1 . 1 30 30 VAL H H 1 7.997 0.01 . 1 . . . . . 28 VAL H . 50765 1 173 . 1 . 1 30 30 VAL C C 13 177.754 0.03 . 1 . . . . . 28 VAL CO . 50765 1 174 . 1 . 1 30 30 VAL CA C 13 67.101 0.09 . 1 . . . . . 28 VAL CA . 50765 1 175 . 1 . 1 30 30 VAL CB C 13 32.045 0.16 . 1 . . . . . 28 VAL CB . 50765 1 176 . 1 . 1 30 30 VAL N N 15 118.444 0.04 . 1 . . . . . 28 VAL N . 50765 1 177 . 1 . 1 31 31 ILE H H 1 8.482 0.00 . 1 . . . . . 29 ILE H . 50765 1 178 . 1 . 1 31 31 ILE HA H 1 4.383 0.00 . 1 . . . . . 29 ILE HA . 50765 1 179 . 1 . 1 31 31 ILE C C 13 177.124 0.02 . 1 . . . . . 29 ILE CO . 50765 1 180 . 1 . 1 31 31 ILE CA C 13 64.176 0.07 . 1 . . . . . 29 ILE CA . 50765 1 181 . 1 . 1 31 31 ILE CB C 13 36.677 0.05 . 1 . . . . . 29 ILE CB . 50765 1 182 . 1 . 1 31 31 ILE N N 15 114.440 0.05 . 1 . . . . . 29 ILE N . 50765 1 183 . 1 . 1 32 32 THR H H 1 7.654 0.00 . 1 . . . . . 30 THR H . 50765 1 184 . 1 . 1 32 32 THR HA H 1 4.012 0.00 . 1 . . . . . 30 THR HA . 50765 1 185 . 1 . 1 32 32 THR C C 13 174.471 0.03 . 1 . . . . . 30 THR CO . 50765 1 186 . 1 . 1 32 32 THR CA C 13 65.715 0.06 . 1 . . . . . 30 THR CA . 50765 1 187 . 1 . 1 32 32 THR CB C 13 69.198 0.03 . 1 . . . . . 30 THR CB . 50765 1 188 . 1 . 1 32 32 THR N N 15 115.076 0.03 . 1 . . . . . 30 THR N . 50765 1 189 . 1 . 1 33 33 LEU H H 1 6.918 0.00 . 1 . . . . . 31 LEU H . 50765 1 190 . 1 . 1 33 33 LEU HA H 1 4.203 0.00 . 1 . . . . . 31 LEU HA . 50765 1 191 . 1 . 1 33 33 LEU C C 13 176.767 0.01 . 1 . . . . . 31 LEU CO . 50765 1 192 . 1 . 1 33 33 LEU CA C 13 56.423 0.06 . 1 . . . . . 31 LEU CA . 50765 1 193 . 1 . 1 33 33 LEU CB C 13 43.960 0.04 . 1 . . . . . 31 LEU CB . 50765 1 194 . 1 . 1 33 33 LEU N N 15 121.760 0.01 . 1 . . . . . 31 LEU N . 50765 1 195 . 1 . 1 34 34 TYR H H 1 8.677 0.00 . 1 . . . . . 32 TYR H . 50765 1 196 . 1 . 1 34 34 TYR HA H 1 4.561 0.00 . 1 . . . . . 32 TYR HA . 50765 1 197 . 1 . 1 34 34 TYR C C 13 175.400 0.02 . 1 . . . . . 32 TYR CO . 50765 1 198 . 1 . 1 34 34 TYR CA C 13 58.080 0.03 . 1 . . . . . 32 TYR CA . 50765 1 199 . 1 . 1 34 34 TYR CB C 13 36.282 0.02 . 1 . . . . . 32 TYR CB . 50765 1 200 . 1 . 1 34 34 TYR N N 15 122.148 0.03 . 1 . . . . . 32 TYR N . 50765 1 201 . 1 . 1 35 35 LYS H H 1 7.547 0.00 . 1 . . . . . 33 LYS H . 50765 1 202 . 1 . 1 35 35 LYS HA H 1 4.388 0.00 . 1 . . . . . 33 LYS HA . 50765 1 203 . 1 . 1 35 35 LYS C C 13 177.421 0.01 . 1 . . . . . 33 LYS CO . 50765 1 204 . 1 . 1 35 35 LYS CA C 13 57.776 0.04 . 1 . . . . . 33 LYS CA . 50765 1 205 . 1 . 1 35 35 LYS CB C 13 32.250 0.07 . 1 . . . . . 33 LYS CB . 50765 1 206 . 1 . 1 35 35 LYS N N 15 116.379 0.03 . 1 . . . . . 33 LYS N . 50765 1 207 . 1 . 1 36 36 ASP H H 1 8.798 0.01 . 1 . . . . . 34 ASP H . 50765 1 208 . 1 . 1 36 36 ASP HA H 1 5.006 0.00 . 1 . . . . . 34 ASP HA . 50765 1 209 . 1 . 1 36 36 ASP C C 13 176.099 0.02 . 1 . . . . . 34 ASP CO . 50765 1 210 . 1 . 1 36 36 ASP CA C 13 54.220 0.05 . 1 . . . . . 34 ASP CA . 50765 1 211 . 1 . 1 36 36 ASP CB C 13 41.854 0.00 . 1 . . . . . 34 ASP CB . 50765 1 212 . 1 . 1 36 36 ASP N N 15 118.273 0.02 . 1 . . . . . 34 ASP N . 50765 1 213 . 1 . 1 37 37 LEU H H 1 7.667 0.00 . 1 . . . . . 35 LEU H . 50765 1 214 . 1 . 1 37 37 LEU HA H 1 4.571 0.00 . 1 . . . . . 35 LEU HA . 50765 1 215 . 1 . 1 37 37 LEU C C 13 174.960 0.00 . 1 . . . . . 35 LEU CO . 50765 1 216 . 1 . 1 37 37 LEU CA C 13 54.129 0.06 . 1 . . . . . 35 LEU CA . 50765 1 217 . 1 . 1 37 37 LEU CB C 13 44.065 0.07 . 1 . . . . . 35 LEU CB . 50765 1 218 . 1 . 1 37 37 LEU N N 15 120.066 0.01 . 1 . . . . . 35 LEU N . 50765 1 219 . 1 . 1 38 38 LYS H H 1 8.421 0.00 . 1 . . . . . 36 LYS H . 50765 1 220 . 1 . 1 38 38 LYS HA H 1 4.938 0.01 . 1 . . . . . 36 LYS HA . 50765 1 221 . 1 . 1 38 38 LYS C C 13 173.604 0.02 . 1 . . . . . 36 LYS CO . 50765 1 222 . 1 . 1 38 38 LYS CA C 13 52.395 0.12 . 1 . . . . . 36 LYS CA . 50765 1 223 . 1 . 1 38 38 LYS CB C 13 34.845 0.00 . 1 . . . . . 36 LYS CB . 50765 1 224 . 1 . 1 38 38 LYS N N 15 120.088 0.03 . 1 . . . . . 36 LYS N . 50765 1 225 . 1 . 1 39 39 PRO HA H 1 5.406 0.00 . 1 . . . . . 37 PRO HA . 50765 1 226 . 1 . 1 39 39 PRO HD2 H 1 3.762 0.00 . 2 . . . . . 37 PRO HD1 . 50765 1 227 . 1 . 1 39 39 PRO HD3 H 1 3.736 0.00 . 2 . . . . . 37 PRO HD2 . 50765 1 228 . 1 . 1 39 39 PRO C C 13 176.048 0.00 . 1 . . . . . 37 PRO CO . 50765 1 229 . 1 . 1 39 39 PRO CA C 13 61.407 0.07 . 1 . . . . . 37 PRO CA . 50765 1 230 . 1 . 1 39 39 PRO CB C 13 32.061 0.00 . 1 . . . . . 37 PRO CB . 50765 1 231 . 1 . 1 39 39 PRO CD C 13 50.326 0.05 . 1 . . . . . 37 PRO CD . 50765 1 232 . 1 . 1 39 39 PRO N N 15 134.800 0.06 . 1 . . . . . 37 PRO N . 50765 1 233 . 1 . 1 40 40 VAL H H 1 9.108 0.00 . 1 . . . . . 38 VAL H . 50765 1 234 . 1 . 1 40 40 VAL HA H 1 4.140 0.00 . 1 . . . . . 38 VAL HA . 50765 1 235 . 1 . 1 40 40 VAL C C 13 173.490 0.03 . 1 . . . . . 38 VAL CO . 50765 1 236 . 1 . 1 40 40 VAL CA C 13 60.964 0.19 . 1 . . . . . 38 VAL CA . 50765 1 237 . 1 . 1 40 40 VAL CB C 13 35.775 0.01 . 1 . . . . . 38 VAL CB . 50765 1 238 . 1 . 1 40 40 VAL N N 15 123.909 0.02 . 1 . . . . . 38 VAL N . 50765 1 239 . 1 . 1 41 41 LEU H H 1 8.178 0.00 . 1 . . . . . 39 LEU H . 50765 1 240 . 1 . 1 41 41 LEU HA H 1 5.123 0.00 . 1 . . . . . 39 LEU HA . 50765 1 241 . 1 . 1 41 41 LEU C C 13 176.254 0.01 . 1 . . . . . 39 LEU CO . 50765 1 242 . 1 . 1 41 41 LEU CA C 13 53.477 0.09 . 1 . . . . . 39 LEU CA . 50765 1 243 . 1 . 1 41 41 LEU CB C 13 43.862 0.04 . 1 . . . . . 39 LEU CB . 50765 1 244 . 1 . 1 41 41 LEU N N 15 123.932 0.02 . 1 . . . . . 39 LEU N . 50765 1 245 . 1 . 1 42 42 ASP H H 1 9.252 0.00 . 1 . . . . . 40 ASP H . 50765 1 246 . 1 . 1 42 42 ASP HA H 1 5.070 0.00 . 1 . . . . . 40 ASP HA . 50765 1 247 . 1 . 1 42 42 ASP C C 13 174.217 0.02 . 1 . . . . . 40 ASP CO . 50765 1 248 . 1 . 1 42 42 ASP CA C 13 52.737 0.03 . 1 . . . . . 40 ASP CA . 50765 1 249 . 1 . 1 42 42 ASP CB C 13 44.947 0.01 . 1 . . . . . 40 ASP CB . 50765 1 250 . 1 . 1 42 42 ASP N N 15 124.924 0.03 . 1 . . . . . 40 ASP N . 50765 1 251 . 1 . 1 43 43 SER H H 1 9.138 0.00 . 1 . . . . . 41 SER H . 50765 1 252 . 1 . 1 43 43 SER HA H 1 4.891 0.00 . 1 . . . . . 41 SER HA . 50765 1 253 . 1 . 1 43 43 SER C C 13 172.606 0.02 . 1 . . . . . 41 SER CO . 50765 1 254 . 1 . 1 43 43 SER CA C 13 58.584 0.11 . 1 . . . . . 41 SER CA . 50765 1 255 . 1 . 1 43 43 SER CB C 13 63.921 0.04 . 1 . . . . . 41 SER CB . 50765 1 256 . 1 . 1 43 43 SER N N 15 116.330 0.04 . 1 . . . . . 41 SER N . 50765 1 257 . 1 . 1 44 44 TYR H H 1 8.856 0.00 . 1 . . . . . 42 TYR H . 50765 1 258 . 1 . 1 44 44 TYR HA H 1 3.655 0.00 . 1 . . . . . 42 TYR HA . 50765 1 259 . 1 . 1 44 44 TYR C C 13 173.453 0.00 . 1 . . . . . 42 TYR CO . 50765 1 260 . 1 . 1 44 44 TYR CA C 13 57.331 0.08 . 1 . . . . . 42 TYR CA . 50765 1 261 . 1 . 1 44 44 TYR CB C 13 40.685 0.05 . 1 . . . . . 42 TYR CB . 50765 1 262 . 1 . 1 44 44 TYR N N 15 129.864 0.02 . 1 . . . . . 42 TYR N . 50765 1 263 . 1 . 1 45 45 VAL H H 1 6.569 0.00 . 1 . . . . . 43 VAL H . 50765 1 264 . 1 . 1 45 45 VAL HA H 1 4.257 0.00 . 1 . . . . . 43 VAL HA . 50765 1 265 . 1 . 1 45 45 VAL C C 13 175.678 0.02 . 1 . . . . . 43 VAL CO . 50765 1 266 . 1 . 1 45 45 VAL CA C 13 61.139 0.06 . 1 . . . . . 43 VAL CA . 50765 1 267 . 1 . 1 45 45 VAL CB C 13 31.795 0.02 . 1 . . . . . 43 VAL CB . 50765 1 268 . 1 . 1 45 45 VAL N N 15 125.841 0.02 . 1 . . . . . 43 VAL N . 50765 1 269 . 1 . 1 46 46 PHE H H 1 8.786 0.01 . 1 . . . . . 44 PHE H . 50765 1 270 . 1 . 1 46 46 PHE HA H 1 4.343 0.00 . 1 . . . . . 44 PHE HA . 50765 1 271 . 1 . 1 46 46 PHE C C 13 177.986 0.00 . 1 . . . . . 44 PHE CO . 50765 1 272 . 1 . 1 46 46 PHE CA C 13 58.299 0.06 . 1 . . . . . 44 PHE CA . 50765 1 273 . 1 . 1 46 46 PHE CB C 13 40.164 0.00 . 1 . . . . . 44 PHE CB . 50765 1 274 . 1 . 1 46 46 PHE N N 15 125.755 0.02 . 1 . . . . . 44 PHE N . 50765 1 275 . 1 . 1 47 47 ASN HD21 H 1 7.745 0.00 . 2 . . . . . 45 ASN HD21 . 50765 1 276 . 1 . 1 47 47 ASN HD22 H 1 7.030 0.00 . 2 . . . . . 45 ASN HD22 . 50765 1 277 . 1 . 1 47 47 ASN C C 13 175.494 0.00 . 1 . . . . . 45 ASN CO . 50765 1 278 . 1 . 1 47 47 ASN CA C 13 56.029 0.01 . 1 . . . . . 45 ASN CA . 50765 1 279 . 1 . 1 47 47 ASN CB C 13 38.034 0.03 . 1 . . . . . 45 ASN CB . 50765 1 280 . 1 . 1 47 47 ASN CG C 13 176.851 0.00 . 1 . . . . . 45 ASN CG . 50765 1 281 . 1 . 1 47 47 ASN N N 15 119.589 0.00 . 1 . . . . . 45 ASN N . 50765 1 282 . 1 . 1 47 47 ASN ND2 N 15 112.766 0.21 . 1 . . . . . 45 ASN ND2 . 50765 1 283 . 1 . 1 48 48 ASP H H 1 7.831 0.01 . 1 . . . . . 46 ASP H . 50765 1 284 . 1 . 1 48 48 ASP HA H 1 4.557 0.00 . 1 . . . . . 46 ASP HA . 50765 1 285 . 1 . 1 48 48 ASP C C 13 177.160 0.02 . 1 . . . . . 46 ASP CO . 50765 1 286 . 1 . 1 48 48 ASP CA C 13 53.276 0.09 . 1 . . . . . 46 ASP CA . 50765 1 287 . 1 . 1 48 48 ASP CB C 13 39.881 0.03 . 1 . . . . . 46 ASP CB . 50765 1 288 . 1 . 1 48 48 ASP N N 15 115.956 0.03 . 1 . . . . . 46 ASP N . 50765 1 289 . 1 . 1 49 49 GLY H H 1 8.206 0.00 . 1 . . . . . 47 GLY H . 50765 1 290 . 1 . 1 49 49 GLY HA2 H 1 4.322 0.00 . 2 . . . . . 47 GLY HA1 . 50765 1 291 . 1 . 1 49 49 GLY HA3 H 1 3.530 0.00 . 2 . . . . . 47 GLY HA2 . 50765 1 292 . 1 . 1 49 49 GLY C C 13 174.430 0.01 . 1 . . . . . 47 GLY CO . 50765 1 293 . 1 . 1 49 49 GLY CA C 13 45.170 0.02 . 1 . . . . . 47 GLY CA . 50765 1 294 . 1 . 1 49 49 GLY N N 15 109.059 0.03 . 1 . . . . . 47 GLY N . 50765 1 295 . 1 . 1 50 50 SER H H 1 8.272 0.00 . 1 . . . . . 48 SER H . 50765 1 296 . 1 . 1 50 50 SER HA H 1 4.438 0.00 . 1 . . . . . 48 SER HA . 50765 1 297 . 1 . 1 50 50 SER C C 13 172.221 0.01 . 1 . . . . . 48 SER CO . 50765 1 298 . 1 . 1 50 50 SER CA C 13 58.768 0.07 . 1 . . . . . 48 SER CA . 50765 1 299 . 1 . 1 50 50 SER CB C 13 64.367 0.02 . 1 . . . . . 48 SER CB . 50765 1 300 . 1 . 1 50 50 SER N N 15 118.441 0.03 . 1 . . . . . 48 SER N . 50765 1 301 . 1 . 1 51 51 SER H H 1 8.476 0.00 . 1 . . . . . 49 SER H . 50765 1 302 . 1 . 1 51 51 SER HA H 1 5.839 0.00 . 1 . . . . . 49 SER HA . 50765 1 303 . 1 . 1 51 51 SER C C 13 174.682 0.01 . 1 . . . . . 49 SER CO . 50765 1 304 . 1 . 1 51 51 SER CA C 13 56.630 0.09 . 1 . . . . . 49 SER CA . 50765 1 305 . 1 . 1 51 51 SER CB C 13 66.559 0.04 . 1 . . . . . 49 SER CB . 50765 1 306 . 1 . 1 51 51 SER N N 15 112.952 0.03 . 1 . . . . . 49 SER N . 50765 1 307 . 1 . 1 52 52 ARG H H 1 8.676 0.00 . 1 . . . . . 50 ARG H . 50765 1 308 . 1 . 1 52 52 ARG HA H 1 4.725 0.00 . 1 . . . . . 50 ARG HA . 50765 1 309 . 1 . 1 52 52 ARG C C 13 174.200 0.01 . 1 . . . . . 50 ARG CO . 50765 1 310 . 1 . 1 52 52 ARG CA C 13 54.963 0.08 . 1 . . . . . 50 ARG CA . 50765 1 311 . 1 . 1 52 52 ARG CB C 13 34.635 0.03 . 1 . . . . . 50 ARG CB . 50765 1 312 . 1 . 1 52 52 ARG N N 15 121.146 0.02 . 1 . . . . . 50 ARG N . 50765 1 313 . 1 . 1 53 53 GLU H H 1 8.604 0.01 . 1 . . . . . 51 GLU H . 50765 1 314 . 1 . 1 53 53 GLU HA H 1 4.853 0.00 . 1 . . . . . 51 GLU HA . 50765 1 315 . 1 . 1 53 53 GLU C C 13 175.193 0.01 . 1 . . . . . 51 GLU CO . 50765 1 316 . 1 . 1 53 53 GLU CA C 13 56.627 0.04 . 1 . . . . . 51 GLU CA . 50765 1 317 . 1 . 1 53 53 GLU CB C 13 30.343 0.00 . 1 . . . . . 51 GLU CB . 50765 1 318 . 1 . 1 53 53 GLU N N 15 123.939 0.01 . 1 . . . . . 51 GLU N . 50765 1 319 . 1 . 1 54 54 LEU H H 1 9.283 0.01 . 1 . . . . . 52 LEU H . 50765 1 320 . 1 . 1 54 54 LEU HA H 1 5.136 0.00 . 1 . . . . . 52 LEU HA . 50765 1 321 . 1 . 1 54 54 LEU C C 13 175.036 0.13 . 1 . . . . . 52 LEU CO . 50765 1 322 . 1 . 1 54 54 LEU CA C 13 53.284 0.01 . 1 . . . . . 52 LEU CA . 50765 1 323 . 1 . 1 54 54 LEU CB C 13 47.225 0.05 . 1 . . . . . 52 LEU CB . 50765 1 324 . 1 . 1 54 54 LEU N N 15 128.616 0.04 . 1 . . . . . 52 LEU N . 50765 1 325 . 1 . 1 55 55 MET H H 1 9.092 0.00 . 1 . . . . . 53 MET H . 50765 1 326 . 1 . 1 55 55 MET HA H 1 5.173 0.00 . 1 . . . . . 53 MET HA . 50765 1 327 . 1 . 1 55 55 MET C C 13 174.410 0.01 . 1 . . . . . 53 MET CO . 50765 1 328 . 1 . 1 55 55 MET CA C 13 55.044 0.10 . 1 . . . . . 53 MET CA . 50765 1 329 . 1 . 1 55 55 MET CB C 13 34.748 0.00 . 1 . . . . . 53 MET CB . 50765 1 330 . 1 . 1 55 55 MET N N 15 120.694 0.03 . 1 . . . . . 53 MET N . 50765 1 331 . 1 . 1 56 56 ASN H H 1 9.208 0.00 . 1 . . . . . 54 ASN H . 50765 1 332 . 1 . 1 56 56 ASN HA H 1 5.263 0.00 . 1 . . . . . 54 ASN HA . 50765 1 333 . 1 . 1 56 56 ASN C C 13 173.737 0.01 . 1 . . . . . 54 ASN CO . 50765 1 334 . 1 . 1 56 56 ASN CA C 13 50.348 0.08 . 1 . . . . . 54 ASN CA . 50765 1 335 . 1 . 1 56 56 ASN CB C 13 42.049 0.05 . 1 . . . . . 54 ASN CB . 50765 1 336 . 1 . 1 56 56 ASN N N 15 121.985 0.04 . 1 . . . . . 54 ASN N . 50765 1 337 . 1 . 1 57 57 LEU H H 1 8.393 0.00 . 1 . . . . . 55 LEU H . 50765 1 338 . 1 . 1 57 57 LEU HA H 1 4.895 0.00 . 1 . . . . . 55 LEU HA . 50765 1 339 . 1 . 1 57 57 LEU C C 13 175.651 0.01 . 1 . . . . . 55 LEU CO . 50765 1 340 . 1 . 1 57 57 LEU CA C 13 53.236 0.07 . 1 . . . . . 55 LEU CA . 50765 1 341 . 1 . 1 57 57 LEU CB C 13 43.706 0.00 . 1 . . . . . 55 LEU CB . 50765 1 342 . 1 . 1 57 57 LEU N N 15 116.941 0.02 . 1 . . . . . 55 LEU N . 50765 1 343 . 1 . 1 58 58 THR H H 1 8.711 0.01 . 1 . . . . . 56 THR H . 50765 1 344 . 1 . 1 58 58 THR HA H 1 5.092 0.00 . 1 . . . . . 56 THR HA . 50765 1 345 . 1 . 1 58 58 THR C C 13 173.983 0.01 . 1 . . . . . 56 THR CO . 50765 1 346 . 1 . 1 58 58 THR CA C 13 60.730 0.02 . 1 . . . . . 56 THR CA . 50765 1 347 . 1 . 1 58 58 THR CB C 13 71.859 0.04 . 1 . . . . . 56 THR CB . 50765 1 348 . 1 . 1 58 58 THR N N 15 117.803 0.03 . 1 . . . . . 56 THR N . 50765 1 349 . 1 . 1 59 59 GLY H H 1 8.123 0.01 . 1 . . . . . 57 GLY H . 50765 1 350 . 1 . 1 59 59 GLY HA2 H 1 5.512 0.00 . 2 . . . . . 57 GLY HA1 . 50765 1 351 . 1 . 1 59 59 GLY C C 13 172.253 0.02 . 1 . . . . . 57 GLY CO . 50765 1 352 . 1 . 1 59 59 GLY CA C 13 44.634 0.06 . 1 . . . . . 57 GLY CA . 50765 1 353 . 1 . 1 59 59 GLY N N 15 115.856 0.01 . 1 . . . . . 57 GLY N . 50765 1 354 . 1 . 1 60 60 THR H H 1 7.521 0.01 . 1 . . . . . 58 THR H . 50765 1 355 . 1 . 1 60 60 THR HA H 1 5.592 0.00 . 1 . . . . . 58 THR HA . 50765 1 356 . 1 . 1 60 60 THR C C 13 172.804 0.01 . 1 . . . . . 58 THR CO . 50765 1 357 . 1 . 1 60 60 THR CA C 13 58.908 0.01 . 1 . . . . . 58 THR CA . 50765 1 358 . 1 . 1 60 60 THR CB C 13 71.868 0.03 . 1 . . . . . 58 THR CB . 50765 1 359 . 1 . 1 60 60 THR N N 15 111.591 0.03 . 1 . . . . . 58 THR N . 50765 1 360 . 1 . 1 61 61 ILE H H 1 7.943 0.00 . 1 . . . . . 59 ILE H . 50765 1 361 . 1 . 1 61 61 ILE HA H 1 4.838 0.00 . 1 . . . . . 59 ILE HA . 50765 1 362 . 1 . 1 61 61 ILE C C 13 173.646 0.02 . 1 . . . . . 59 ILE CO . 50765 1 363 . 1 . 1 61 61 ILE CA C 13 57.039 0.11 . 1 . . . . . 59 ILE CA . 50765 1 364 . 1 . 1 61 61 ILE CB C 13 39.768 0.00 . 1 . . . . . 59 ILE CB . 50765 1 365 . 1 . 1 61 61 ILE N N 15 110.278 0.04 . 1 . . . . . 59 ILE N . 50765 1 366 . 1 . 1 62 62 PRO HA H 1 4.960 0.00 . 1 . . . . . 60 PRO HA . 50765 1 367 . 1 . 1 62 62 PRO HD2 H 1 3.976 0.00 . 2 . . . . . 60 PRO HD1 . 50765 1 368 . 1 . 1 62 62 PRO HD3 H 1 3.693 0.00 . 2 . . . . . 60 PRO HD2 . 50765 1 369 . 1 . 1 62 62 PRO C C 13 176.493 0.02 . 1 . . . . . 60 PRO CO . 50765 1 370 . 1 . 1 62 62 PRO CA C 13 61.616 0.04 . 1 . . . . . 60 PRO CA . 50765 1 371 . 1 . 1 62 62 PRO CB C 13 31.257 0.00 . 1 . . . . . 60 PRO CB . 50765 1 372 . 1 . 1 62 62 PRO CD C 13 50.075 0.01 . 1 . . . . . 60 PRO CD . 50765 1 373 . 1 . 1 62 62 PRO N N 15 135.265 0.05 . 1 . . . . . 60 PRO N . 50765 1 374 . 1 . 1 63 63 VAL H H 1 9.234 0.00 . 1 . . . . . 61 VAL H . 50765 1 375 . 1 . 1 63 63 VAL HA H 1 4.755 0.00 . 1 . . . . . 61 VAL HA . 50765 1 376 . 1 . 1 63 63 VAL C C 13 173.908 0.01 . 1 . . . . . 61 VAL CO . 50765 1 377 . 1 . 1 63 63 VAL CA C 13 58.951 0.11 . 1 . . . . . 61 VAL CA . 50765 1 378 . 1 . 1 63 63 VAL CB C 13 35.130 0.00 . 1 . . . . . 61 VAL CB . 50765 1 379 . 1 . 1 63 63 VAL N N 15 124.511 0.03 . 1 . . . . . 61 VAL N . 50765 1 380 . 1 . 1 64 64 PRO HA H 1 5.079 0.00 . 1 . . . . . 62 PRO HA . 50765 1 381 . 1 . 1 64 64 PRO C C 13 176.990 0.00 . 1 . . . . . 62 PRO CO . 50765 1 382 . 1 . 1 64 64 PRO CA C 13 62.296 0.07 . 1 . . . . . 62 PRO CA . 50765 1 383 . 1 . 1 64 64 PRO CB C 13 31.874 0.06 . 1 . . . . . 62 PRO CB . 50765 1 384 . 1 . 1 64 64 PRO N N 15 140.963 0.04 . 1 . . . . . 62 PRO N . 50765 1 385 . 1 . 1 65 65 TYR H H 1 9.083 0.00 . 1 . . . . . 63 TYR H . 50765 1 386 . 1 . 1 65 65 TYR HA H 1 4.879 0.00 . 1 . . . . . 63 TYR HA . 50765 1 387 . 1 . 1 65 65 TYR C C 13 174.880 0.02 . 1 . . . . . 63 TYR CO . 50765 1 388 . 1 . 1 65 65 TYR CA C 13 58.555 0.03 . 1 . . . . . 63 TYR CA . 50765 1 389 . 1 . 1 65 65 TYR CB C 13 40.208 0.04 . 1 . . . . . 63 TYR CB . 50765 1 390 . 1 . 1 65 65 TYR N N 15 123.959 0.04 . 1 . . . . . 63 TYR N . 50765 1 391 . 1 . 1 66 66 ARG H H 1 9.285 0.00 . 1 . . . . . 64 ARG H . 50765 1 392 . 1 . 1 66 66 ARG HA H 1 3.694 0.00 . 1 . . . . . 64 ARG HA . 50765 1 393 . 1 . 1 66 66 ARG C C 13 175.837 0.01 . 1 . . . . . 64 ARG CO . 50765 1 394 . 1 . 1 66 66 ARG CA C 13 56.964 0.00 . 1 . . . . . 64 ARG CA . 50765 1 395 . 1 . 1 66 66 ARG CB C 13 28.094 0.04 . 1 . . . . . 64 ARG CB . 50765 1 396 . 1 . 1 66 66 ARG N N 15 126.572 0.01 . 1 . . . . . 64 ARG N . 50765 1 397 . 1 . 1 67 67 GLY H H 1 8.554 0.00 . 1 . . . . . 65 GLY H . 50765 1 398 . 1 . 1 67 67 GLY HA2 H 1 4.209 0.00 . 2 . . . . . 65 GLY HA1 . 50765 1 399 . 1 . 1 67 67 GLY HA3 H 1 3.608 0.00 . 2 . . . . . 65 GLY HA2 . 50765 1 400 . 1 . 1 67 67 GLY C C 13 173.837 0.02 . 1 . . . . . 65 GLY CO . 50765 1 401 . 1 . 1 67 67 GLY CA C 13 45.602 0.01 . 1 . . . . . 65 GLY CA . 50765 1 402 . 1 . 1 67 67 GLY N N 15 104.396 0.03 . 1 . . . . . 65 GLY N . 50765 1 403 . 1 . 1 68 68 ASN H H 1 7.929 0.00 . 1 . . . . . 66 ASN H . 50765 1 404 . 1 . 1 68 68 ASN HA H 1 5.093 0.00 . 1 . . . . . 66 ASN HA . 50765 1 405 . 1 . 1 68 68 ASN HD21 H 1 7.464 0.00 . 2 . . . . . 66 ASN HD21 . 50765 1 406 . 1 . 1 68 68 ASN HD22 H 1 7.021 0.00 . 2 . . . . . 66 ASN HD22 . 50765 1 407 . 1 . 1 68 68 ASN C C 13 174.094 0.02 . 1 . . . . . 66 ASN CO . 50765 1 408 . 1 . 1 68 68 ASN CA C 13 51.699 0.05 . 1 . . . . . 66 ASN CA . 50765 1 409 . 1 . 1 68 68 ASN CB C 13 42.137 0.05 . 1 . . . . . 66 ASN CB . 50765 1 410 . 1 . 1 68 68 ASN CG C 13 177.024 0.00 . 1 . . . . . 66 ASN CG . 50765 1 411 . 1 . 1 68 68 ASN N N 15 118.998 0.01 . 1 . . . . . 66 ASN N . 50765 1 412 . 1 . 1 68 68 ASN ND2 N 15 113.956 0.21 . 1 . . . . . 66 ASN ND2 . 50765 1 413 . 1 . 1 69 69 THR H H 1 8.770 0.00 . 1 . . . . . 67 THR H . 50765 1 414 . 1 . 1 69 69 THR C C 13 173.416 0.01 . 1 . . . . . 67 THR CO . 50765 1 415 . 1 . 1 69 69 THR CA C 13 63.243 0.08 . 1 . . . . . 67 THR CA . 50765 1 416 . 1 . 1 69 69 THR CB C 13 69.565 0.15 . 1 . . . . . 67 THR CB . 50765 1 417 . 1 . 1 69 69 THR N N 15 118.278 0.02 . 1 . . . . . 67 THR N . 50765 1 418 . 1 . 1 70 70 TYR H H 1 9.206 0.01 . 1 . . . . . 68 TYR H . 50765 1 419 . 1 . 1 70 70 TYR HA H 1 4.422 0.00 . 1 . . . . . 68 TYR HA . 50765 1 420 . 1 . 1 70 70 TYR C C 13 174.095 0.04 . 1 . . . . . 68 TYR CO . 50765 1 421 . 1 . 1 70 70 TYR CA C 13 55.976 0.01 . 1 . . . . . 68 TYR CA . 50765 1 422 . 1 . 1 70 70 TYR CB C 13 39.997 0.00 . 1 . . . . . 68 TYR CB . 50765 1 423 . 1 . 1 70 70 TYR N N 15 129.010 0.04 . 1 . . . . . 68 TYR N . 50765 1 424 . 1 . 1 71 71 ASN H H 1 8.838 0.00 . 1 . . . . . 69 ASN H . 50765 1 425 . 1 . 1 71 71 ASN HA H 1 5.303 0.00 . 1 . . . . . 69 ASN HA . 50765 1 426 . 1 . 1 71 71 ASN HD21 H 1 7.625 0.00 . 2 . . . . . 69 ASN HD21 . 50765 1 427 . 1 . 1 71 71 ASN HD22 H 1 6.817 0.00 . 2 . . . . . 69 ASN HD22 . 50765 1 428 . 1 . 1 71 71 ASN C C 13 174.151 0.02 . 1 . . . . . 69 ASN CO . 50765 1 429 . 1 . 1 71 71 ASN CA C 13 52.306 0.07 . 1 . . . . . 69 ASN CA . 50765 1 430 . 1 . 1 71 71 ASN CB C 13 38.248 0.09 . 1 . . . . . 69 ASN CB . 50765 1 431 . 1 . 1 71 71 ASN CG C 13 176.984 0.01 . 1 . . . . . 69 ASN CG . 50765 1 432 . 1 . 1 71 71 ASN N N 15 123.097 0.02 . 1 . . . . . 69 ASN N . 50765 1 433 . 1 . 1 71 71 ASN ND2 N 15 115.169 0.20 . 1 . . . . . 69 ASN ND2 . 50765 1 434 . 1 . 1 72 72 ILE H H 1 9.005 0.00 . 1 . . . . . 70 ILE H . 50765 1 435 . 1 . 1 72 72 ILE HA H 1 4.385 0.00 . 1 . . . . . 70 ILE HA . 50765 1 436 . 1 . 1 72 72 ILE C C 13 173.561 0.01 . 1 . . . . . 70 ILE CO . 50765 1 437 . 1 . 1 72 72 ILE CA C 13 56.460 0.09 . 1 . . . . . 70 ILE CA . 50765 1 438 . 1 . 1 72 72 ILE N N 15 127.458 0.02 . 1 . . . . . 70 ILE N . 50765 1 439 . 1 . 1 73 73 PRO HA H 1 5.039 0.00 . 1 . . . . . 71 PRO HA . 50765 1 440 . 1 . 1 73 73 PRO C C 13 176.719 0.01 . 1 . . . . . 71 PRO CO . 50765 1 441 . 1 . 1 73 73 PRO CA C 13 61.402 0.07 . 1 . . . . . 71 PRO CA . 50765 1 442 . 1 . 1 73 73 PRO CB C 13 31.418 0.03 . 1 . . . . . 71 PRO CB . 50765 1 443 . 1 . 1 73 73 PRO N N 15 141.110 0.04 . 1 . . . . . 71 PRO N . 50765 1 444 . 1 . 1 74 74 ILE H H 1 8.928 0.00 . 1 . . . . . 72 ILE H . 50765 1 445 . 1 . 1 74 74 ILE HA H 1 5.469 0.00 . 1 . . . . . 72 ILE HA . 50765 1 446 . 1 . 1 74 74 ILE C C 13 174.923 0.03 . 1 . . . . . 72 ILE CO . 50765 1 447 . 1 . 1 74 74 ILE CA C 13 58.797 0.01 . 1 . . . . . 72 ILE CA . 50765 1 448 . 1 . 1 74 74 ILE CB C 13 44.789 0.02 . 1 . . . . . 72 ILE CB . 50765 1 449 . 1 . 1 74 74 ILE N N 15 117.625 0.01 . 1 . . . . . 72 ILE N . 50765 1 450 . 1 . 1 75 75 CYS H H 1 8.956 0.00 . 1 . . . . . 73 CYS H . 50765 1 451 . 1 . 1 75 75 CYS HA H 1 5.143 0.00 . 1 . . . . . 73 CYS HA . 50765 1 452 . 1 . 1 75 75 CYS C C 13 173.360 0.02 . 1 . . . . . 73 CYS CO . 50765 1 453 . 1 . 1 75 75 CYS CA C 13 58.021 0.09 . 1 . . . . . 73 CYS CA . 50765 1 454 . 1 . 1 75 75 CYS CB C 13 29.339 0.03 . 1 . . . . . 73 CYS CB . 50765 1 455 . 1 . 1 75 75 CYS N N 15 120.302 0.05 . 1 . . . . . 73 CYS N . 50765 1 456 . 1 . 1 76 76 LEU H H 1 9.104 0.01 . 1 . . . . . 74 LEU H . 50765 1 457 . 1 . 1 76 76 LEU HA H 1 5.091 0.00 . 1 . . . . . 74 LEU HA . 50765 1 458 . 1 . 1 76 76 LEU C C 13 175.079 0.01 . 1 . . . . . 74 LEU CO . 50765 1 459 . 1 . 1 76 76 LEU CA C 13 52.878 0.11 . 1 . . . . . 74 LEU CA . 50765 1 460 . 1 . 1 76 76 LEU CB C 13 42.971 0.06 . 1 . . . . . 74 LEU CB . 50765 1 461 . 1 . 1 76 76 LEU N N 15 127.730 0.04 . 1 . . . . . 74 LEU N . 50765 1 462 . 1 . 1 77 77 TRP H H 1 9.703 0.00 . 1 . . . . . 75 TRP H . 50765 1 463 . 1 . 1 77 77 TRP HA H 1 4.385 0.00 . 1 . . . . . 75 TRP HA . 50765 1 464 . 1 . 1 77 77 TRP HE1 H 1 10.281 0.00 . 1 . . . . . 75 TRP HE1 . 50765 1 465 . 1 . 1 77 77 TRP C C 13 175.638 0.01 . 1 . . . . . 75 TRP CO . 50765 1 466 . 1 . 1 77 77 TRP CA C 13 57.477 0.08 . 1 . . . . . 75 TRP CA . 50765 1 467 . 1 . 1 77 77 TRP CB C 13 29.663 0.00 . 1 . . . . . 75 TRP CB . 50765 1 468 . 1 . 1 77 77 TRP N N 15 124.331 0.05 . 1 . . . . . 75 TRP N . 50765 1 469 . 1 . 1 77 77 TRP NE1 N 15 130.435 0.00 . 1 . . . . . 75 TRP NE1 . 50765 1 470 . 1 . 1 78 78 LEU H H 1 8.470 0.00 . 1 . . . . . 76 LEU H . 50765 1 471 . 1 . 1 78 78 LEU HA H 1 4.643 0.00 . 1 . . . . . 76 LEU HA . 50765 1 472 . 1 . 1 78 78 LEU C C 13 176.898 0.01 . 1 . . . . . 76 LEU CO . 50765 1 473 . 1 . 1 78 78 LEU CA C 13 53.411 0.11 . 1 . . . . . 76 LEU CA . 50765 1 474 . 1 . 1 78 78 LEU CB C 13 40.840 0.05 . 1 . . . . . 76 LEU CB . 50765 1 475 . 1 . 1 78 78 LEU N N 15 122.453 0.04 . 1 . . . . . 76 LEU N . 50765 1 476 . 1 . 1 79 79 LEU H H 1 8.764 0.01 . 1 . . . . . 77 LEU H . 50765 1 477 . 1 . 1 79 79 LEU HA H 1 4.386 0.00 . 1 . . . . . 77 LEU HA . 50765 1 478 . 1 . 1 79 79 LEU C C 13 176.900 0.01 . 1 . . . . . 77 LEU CO . 50765 1 479 . 1 . 1 79 79 LEU CA C 13 55.557 0.14 . 1 . . . . . 77 LEU CA . 50765 1 480 . 1 . 1 79 79 LEU CB C 13 41.784 0.03 . 1 . . . . . 77 LEU CB . 50765 1 481 . 1 . 1 79 79 LEU N N 15 124.008 0.03 . 1 . . . . . 77 LEU N . 50765 1 482 . 1 . 1 80 80 ASP H H 1 8.431 0.00 . 1 . . . . . 78 ASP H . 50765 1 483 . 1 . 1 80 80 ASP HA H 1 3.007 0.00 . 1 . . . . . 78 ASP HA . 50765 1 484 . 1 . 1 80 80 ASP C C 13 177.373 0.02 . 1 . . . . . 78 ASP CO . 50765 1 485 . 1 . 1 80 80 ASP CA C 13 55.598 0.07 . 1 . . . . . 78 ASP CA . 50765 1 486 . 1 . 1 80 80 ASP CB C 13 39.243 0.02 . 1 . . . . . 78 ASP CB . 50765 1 487 . 1 . 1 80 80 ASP N N 15 115.594 0.03 . 1 . . . . . 78 ASP N . 50765 1 488 . 1 . 1 81 81 THR H H 1 6.988 0.00 . 1 . . . . . 79 THR H . 50765 1 489 . 1 . 1 81 81 THR HA H 1 4.439 0.00 . 1 . . . . . 79 THR HA . 50765 1 490 . 1 . 1 81 81 THR C C 13 174.336 0.02 . 1 . . . . . 79 THR CO . 50765 1 491 . 1 . 1 81 81 THR CA C 13 60.810 0.11 . 1 . . . . . 79 THR CA . 50765 1 492 . 1 . 1 81 81 THR CB C 13 68.512 0.02 . 1 . . . . . 79 THR CB . 50765 1 493 . 1 . 1 81 81 THR N N 15 107.488 0.05 . 1 . . . . . 79 THR N . 50765 1 494 . 1 . 1 82 82 TYR H H 1 8.477 0.00 . 1 . . . . . 80 TYR H . 50765 1 495 . 1 . 1 82 82 TYR HA H 1 4.110 0.00 . 1 . . . . . 80 TYR HA . 50765 1 496 . 1 . 1 82 82 TYR C C 13 174.183 0.01 . 1 . . . . . 80 TYR CO . 50765 1 497 . 1 . 1 82 82 TYR CA C 13 60.151 0.17 . 1 . . . . . 80 TYR CA . 50765 1 498 . 1 . 1 82 82 TYR CB C 13 38.895 0.00 . 1 . . . . . 80 TYR CB . 50765 1 499 . 1 . 1 82 82 TYR N N 15 127.339 0.03 . 1 . . . . . 80 TYR N . 50765 1 500 . 1 . 1 83 83 PRO HA H 1 2.586 0.00 . 1 . . . . . 81 PRO HA . 50765 1 501 . 1 . 1 83 83 PRO C C 13 175.582 0.00 . 1 . . . . . 81 PRO CO . 50765 1 502 . 1 . 1 83 83 PRO CA C 13 62.454 0.07 . 1 . . . . . 81 PRO CA . 50765 1 503 . 1 . 1 83 83 PRO CB C 13 34.502 0.02 . 1 . . . . . 81 PRO CB . 50765 1 504 . 1 . 1 83 83 PRO N N 15 137.202 0.07 . 1 . . . . . 81 PRO N . 50765 1 505 . 1 . 1 84 84 TYR H H 1 8.764 0.00 . 1 . . . . . 82 TYR H . 50765 1 506 . 1 . 1 84 84 TYR HA H 1 4.228 0.00 . 1 . . . . . 82 TYR HA . 50765 1 507 . 1 . 1 84 84 TYR C C 13 175.592 0.02 . 1 . . . . . 82 TYR CO . 50765 1 508 . 1 . 1 84 84 TYR CA C 13 61.681 0.05 . 1 . . . . . 82 TYR CA . 50765 1 509 . 1 . 1 84 84 TYR CB C 13 37.398 0.01 . 1 . . . . . 82 TYR CB . 50765 1 510 . 1 . 1 84 84 TYR N N 15 124.592 0.02 . 1 . . . . . 82 TYR N . 50765 1 511 . 1 . 1 85 85 ASN H H 1 6.783 0.01 . 1 . . . . . 83 ASN H . 50765 1 512 . 1 . 1 85 85 ASN HA H 1 5.097 0.00 . 1 . . . . . 83 ASN HA . 50765 1 513 . 1 . 1 85 85 ASN HD21 H 1 7.993 0.00 . 2 . . . . . 83 ASN HD21 . 50765 1 514 . 1 . 1 85 85 ASN HD22 H 1 7.117 0.00 . 2 . . . . . 83 ASN HD22 . 50765 1 515 . 1 . 1 85 85 ASN C C 13 171.795 0.01 . 1 . . . . . 83 ASN CO . 50765 1 516 . 1 . 1 85 85 ASN CA C 13 50.630 0.11 . 1 . . . . . 83 ASN CA . 50765 1 517 . 1 . 1 85 85 ASN CB C 13 41.402 0.03 . 1 . . . . . 83 ASN CB . 50765 1 518 . 1 . 1 85 85 ASN CG C 13 176.730 0.00 . 1 . . . . . 83 ASN CG . 50765 1 519 . 1 . 1 85 85 ASN N N 15 114.790 0.02 . 1 . . . . . 83 ASN N . 50765 1 520 . 1 . 1 85 85 ASN ND2 N 15 113.577 0.22 . 1 . . . . . 83 ASN ND2 . 50765 1 521 . 1 . 1 86 86 PRO HA H 1 2.567 0.00 . 1 . . . . . 84 PRO HA . 50765 1 522 . 1 . 1 86 86 PRO C C 13 174.915 0.01 . 1 . . . . . 84 PRO CO . 50765 1 523 . 1 . 1 86 86 PRO CA C 13 59.996 0.00 . 1 . . . . . 84 PRO CA . 50765 1 524 . 1 . 1 86 86 PRO N N 15 134.073 0.01 . 1 . . . . . 84 PRO N . 50765 1 525 . 1 . 1 87 87 PRO HA H 1 4.914 0.00 . 1 . . . . . 85 PRO HA . 50765 1 526 . 1 . 1 87 87 PRO HD2 H 1 3.864 0.00 . 5 . . . . . 85 PRO HD1 . 50765 1 527 . 1 . 1 87 87 PRO HD3 H 1 3.418 0.00 . 5 . . . . . 85 PRO HD2 . 50765 1 528 . 1 . 1 87 87 PRO C C 13 174.374 0.02 . 1 . . . . . 85 PRO CO . 50765 1 529 . 1 . 1 87 87 PRO CA C 13 62.013 0.05 . 1 . . . . . 85 PRO CA . 50765 1 530 . 1 . 1 87 87 PRO CB C 13 32.108 0.00 . 1 . . . . . 85 PRO CB . 50765 1 531 . 1 . 1 87 87 PRO CD C 13 50.579 0.05 . 5 . . . . . 85 PRO CD . 50765 1 532 . 1 . 1 87 87 PRO N N 15 132.298 0.07 . 1 . . . . . 85 PRO N . 50765 1 533 . 1 . 1 88 88 ILE H H 1 8.519 0.00 . 1 . . . . . 86 ILE H . 50765 1 534 . 1 . 1 88 88 ILE HA H 1 4.105 0.00 . 1 . . . . . 86 ILE HA . 50765 1 535 . 1 . 1 88 88 ILE C C 13 176.452 0.00 . 1 . . . . . 86 ILE CO . 50765 1 536 . 1 . 1 88 88 ILE CA C 13 61.789 0.01 . 1 . . . . . 86 ILE CA . 50765 1 537 . 1 . 1 88 88 ILE CB C 13 38.653 0.05 . 1 . . . . . 86 ILE CB . 50765 1 538 . 1 . 1 88 88 ILE N N 15 121.535 0.03 . 1 . . . . . 86 ILE N . 50765 1 539 . 1 . 1 89 89 CYS H H 1 8.927 0.00 . 1 . . . . . 87 CYS H . 50765 1 540 . 1 . 1 89 89 CYS HA H 1 5.461 0.00 . 1 . . . . . 87 CYS HA . 50765 1 541 . 1 . 1 89 89 CYS C C 13 172.889 0.01 . 1 . . . . . 87 CYS CO . 50765 1 542 . 1 . 1 89 89 CYS CA C 13 57.794 0.07 . 1 . . . . . 87 CYS CA . 50765 1 543 . 1 . 1 89 89 CYS CB C 13 31.243 0.02 . 1 . . . . . 87 CYS CB . 50765 1 544 . 1 . 1 89 89 CYS N N 15 125.485 0.02 . 1 . . . . . 87 CYS N . 50765 1 545 . 1 . 1 90 90 PHE H H 1 9.241 0.00 . 1 . . . . . 88 PHE H . 50765 1 546 . 1 . 1 90 90 PHE HA H 1 5.570 0.00 . 1 . . . . . 88 PHE HA . 50765 1 547 . 1 . 1 90 90 PHE C C 13 176.626 0.01 . 1 . . . . . 88 PHE CO . 50765 1 548 . 1 . 1 90 90 PHE CA C 13 56.705 0.07 . 1 . . . . . 88 PHE CA . 50765 1 549 . 1 . 1 90 90 PHE CB C 13 43.773 0.01 . 1 . . . . . 88 PHE CB . 50765 1 550 . 1 . 1 90 90 PHE N N 15 120.732 0.03 . 1 . . . . . 88 PHE N . 50765 1 551 . 1 . 1 91 91 VAL H H 1 9.627 0.00 . 1 . . . . . 89 VAL H . 50765 1 552 . 1 . 1 91 91 VAL HA H 1 4.689 0.00 . 1 . . . . . 89 VAL HA . 50765 1 553 . 1 . 1 91 91 VAL C C 13 175.418 0.01 . 1 . . . . . 89 VAL CO . 50765 1 554 . 1 . 1 91 91 VAL CA C 13 62.037 0.10 . 1 . . . . . 89 VAL CA . 50765 1 555 . 1 . 1 91 91 VAL CB C 13 32.899 0.12 . 1 . . . . . 89 VAL CB . 50765 1 556 . 1 . 1 91 91 VAL N N 15 120.355 0.05 . 1 . . . . . 89 VAL N . 50765 1 557 . 1 . 1 92 92 LYS H H 1 7.933 0.00 . 1 . . . . . 90 LYS H . 50765 1 558 . 1 . 1 92 92 LYS HA H 1 4.777 0.09 . 1 . . . . . 90 LYS HA . 50765 1 559 . 1 . 1 92 92 LYS C C 13 172.161 0.01 . 1 . . . . . 90 LYS CO . 50765 1 560 . 1 . 1 92 92 LYS CA C 13 51.228 0.14 . 1 . . . . . 90 LYS CA . 50765 1 561 . 1 . 1 92 92 LYS N N 15 127.642 0.04 . 1 . . . . . 90 LYS N . 50765 1 562 . 1 . 1 93 93 PRO HA H 1 4.373 0.00 . 1 . . . . . 91 PRO HA . 50765 1 563 . 1 . 1 93 93 PRO HD2 H 1 3.882 0.00 . 5 . . . . . 91 PRO HD1 . 50765 1 564 . 1 . 1 93 93 PRO HD3 H 1 3.400 0.00 . 5 . . . . . 91 PRO HD2 . 50765 1 565 . 1 . 1 93 93 PRO C C 13 177.621 0.00 . 1 . . . . . 91 PRO CO . 50765 1 566 . 1 . 1 93 93 PRO CA C 13 62.787 0.09 . 1 . . . . . 91 PRO CA . 50765 1 567 . 1 . 1 93 93 PRO CB C 13 32.656 0.00 . 1 . . . . . 91 PRO CB . 50765 1 568 . 1 . 1 93 93 PRO CD C 13 50.564 0.05 . 5 . . . . . 91 PRO CD . 50765 1 569 . 1 . 1 93 93 PRO N N 15 132.336 0.05 . 1 . . . . . 91 PRO N . 50765 1 570 . 1 . 1 94 94 THR H H 1 7.772 0.00 . 1 . . . . . 92 THR H . 50765 1 571 . 1 . 1 94 94 THR HA H 1 4.615 0.00 . 1 . . . . . 92 THR HA . 50765 1 572 . 1 . 1 94 94 THR C C 13 175.850 0.01 . 1 . . . . . 92 THR CO . 50765 1 573 . 1 . 1 94 94 THR CA C 13 60.695 0.07 . 1 . . . . . 92 THR CA . 50765 1 574 . 1 . 1 94 94 THR CB C 13 70.379 0.06 . 1 . . . . . 92 THR CB . 50765 1 575 . 1 . 1 94 94 THR N N 15 112.304 0.03 . 1 . . . . . 92 THR N . 50765 1 576 . 1 . 1 95 95 SER H H 1 8.745 0.00 . 1 . . . . . 93 SER H . 50765 1 577 . 1 . 1 95 95 SER C C 13 175.261 0.01 . 1 . . . . . 93 SER CO . 50765 1 578 . 1 . 1 95 95 SER CA C 13 60.728 0.10 . 1 . . . . . 93 SER CA . 50765 1 579 . 1 . 1 95 95 SER CB C 13 62.917 0.10 . 1 . . . . . 93 SER CB . 50765 1 580 . 1 . 1 95 95 SER N N 15 113.583 0.03 . 1 . . . . . 93 SER N . 50765 1 581 . 1 . 1 96 96 SER H H 1 7.938 0.00 . 1 . . . . . 94 SER H . 50765 1 582 . 1 . 1 96 96 SER HA H 1 4.617 0.00 . 1 . . . . . 94 SER HA . 50765 1 583 . 1 . 1 96 96 SER C C 13 173.720 0.00 . 1 . . . . . 94 SER CO . 50765 1 584 . 1 . 1 96 96 SER CA C 13 58.364 0.10 . 1 . . . . . 94 SER CA . 50765 1 585 . 1 . 1 96 96 SER CB C 13 63.676 0.02 . 1 . . . . . 94 SER CB . 50765 1 586 . 1 . 1 96 96 SER N N 15 114.415 0.12 . 1 . . . . . 94 SER N . 50765 1 587 . 1 . 1 97 97 MET H H 1 7.748 0.00 . 1 . . . . . 95 MET H . 50765 1 588 . 1 . 1 97 97 MET HA H 1 5.077 0.00 . 1 . . . . . 95 MET HA . 50765 1 589 . 1 . 1 97 97 MET C C 13 174.426 0.02 . 1 . . . . . 95 MET CO . 50765 1 590 . 1 . 1 97 97 MET CA C 13 55.076 0.08 . 1 . . . . . 95 MET CA . 50765 1 591 . 1 . 1 97 97 MET CB C 13 36.485 0.05 . 1 . . . . . 95 MET CB . 50765 1 592 . 1 . 1 97 97 MET N N 15 121.676 0.04 . 1 . . . . . 95 MET N . 50765 1 593 . 1 . 1 98 98 THR H H 1 8.435 0.00 . 1 . . . . . 96 THR H . 50765 1 594 . 1 . 1 98 98 THR HA H 1 4.504 0.00 . 1 . . . . . 96 THR HA . 50765 1 595 . 1 . 1 98 98 THR C C 13 173.555 0.01 . 1 . . . . . 96 THR CO . 50765 1 596 . 1 . 1 98 98 THR CA C 13 60.408 0.03 . 1 . . . . . 96 THR CA . 50765 1 597 . 1 . 1 98 98 THR CB C 13 71.130 0.03 . 1 . . . . . 96 THR CB . 50765 1 598 . 1 . 1 98 98 THR N N 15 114.876 0.02 . 1 . . . . . 96 THR N . 50765 1 599 . 1 . 1 99 99 ILE H H 1 8.481 0.00 . 1 . . . . . 97 ILE H . 50765 1 600 . 1 . 1 99 99 ILE HA H 1 4.203 0.00 . 1 . . . . . 97 ILE HA . 50765 1 601 . 1 . 1 99 99 ILE C C 13 175.050 0.00 . 1 . . . . . 97 ILE CO . 50765 1 602 . 1 . 1 99 99 ILE CA C 13 61.613 0.06 . 1 . . . . . 97 ILE CA . 50765 1 603 . 1 . 1 99 99 ILE CB C 13 39.081 0.02 . 1 . . . . . 97 ILE CB . 50765 1 604 . 1 . 1 99 99 ILE N N 15 123.748 0.03 . 1 . . . . . 97 ILE N . 50765 1 605 . 1 . 1 100 100 LYS H H 1 8.218 0.00 . 1 . . . . . 98 LYS H . 50765 1 606 . 1 . 1 100 100 LYS HA H 1 4.516 0.00 . 1 . . . . . 98 LYS HA . 50765 1 607 . 1 . 1 100 100 LYS C C 13 174.773 0.00 . 1 . . . . . 98 LYS CO . 50765 1 608 . 1 . 1 100 100 LYS CA C 13 54.100 0.07 . 1 . . . . . 98 LYS CA . 50765 1 609 . 1 . 1 100 100 LYS CB C 13 32.883 0.03 . 1 . . . . . 98 LYS CB . 50765 1 610 . 1 . 1 100 100 LYS N N 15 131.080 0.03 . 1 . . . . . 98 LYS N . 50765 1 611 . 1 . 1 101 101 THR H H 1 8.011 0.00 . 1 . . . . . 99 THR H . 50765 1 612 . 1 . 1 101 101 THR HA H 1 4.139 0.00 . 1 . . . . . 99 THR HA . 50765 1 613 . 1 . 1 101 101 THR C C 13 175.142 0.01 . 1 . . . . . 99 THR CO . 50765 1 614 . 1 . 1 101 101 THR CA C 13 61.803 0.04 . 1 . . . . . 99 THR CA . 50765 1 615 . 1 . 1 101 101 THR CB C 13 69.918 0.04 . 1 . . . . . 99 THR CB . 50765 1 616 . 1 . 1 101 101 THR N N 15 116.850 0.05 . 1 . . . . . 99 THR N . 50765 1 617 . 1 . 1 102 102 GLY H H 1 8.826 0.00 . 1 . . . . . 100 GLY H . 50765 1 618 . 1 . 1 102 102 GLY HA2 H 1 4.162 0.00 . 2 . . . . . 100 GLY HA1 . 50765 1 619 . 1 . 1 102 102 GLY C C 13 173.734 0.01 . 1 . . . . . 100 GLY CO . 50765 1 620 . 1 . 1 102 102 GLY CA C 13 45.944 0.04 . 1 . . . . . 100 GLY CA . 50765 1 621 . 1 . 1 102 102 GLY N N 15 109.046 0.02 . 1 . . . . . 100 GLY N . 50765 1 622 . 1 . 1 103 103 LYS H H 1 8.876 0.00 . 1 . . . . . 101 LYS H . 50765 1 623 . 1 . 1 103 103 LYS HA H 1 3.942 0.00 . 1 . . . . . 101 LYS HA . 50765 1 624 . 1 . 1 103 103 LYS C C 13 177.947 0.02 . 1 . . . . . 101 LYS CO . 50765 1 625 . 1 . 1 103 103 LYS CA C 13 58.818 0.06 . 1 . . . . . 101 LYS CA . 50765 1 626 . 1 . 1 103 103 LYS CB C 13 32.369 0.04 . 1 . . . . . 101 LYS CB . 50765 1 627 . 1 . 1 103 103 LYS N N 15 121.781 0.02 . 1 . . . . . 101 LYS N . 50765 1 628 . 1 . 1 104 104 HIS H H 1 8.932 0.00 . 1 . . . . . 102 HIS H . 50765 1 629 . 1 . 1 104 104 HIS HA H 1 5.506 0.00 . 1 . . . . . 102 HIS HA . 50765 1 630 . 1 . 1 104 104 HIS C C 13 174.013 0.04 . 1 . . . . . 102 HIS CO . 50765 1 631 . 1 . 1 104 104 HIS CA C 13 55.878 0.05 . 1 . . . . . 102 HIS CA . 50765 1 632 . 1 . 1 104 104 HIS CB C 13 30.419 0.04 . 1 . . . . . 102 HIS CB . 50765 1 633 . 1 . 1 104 104 HIS N N 15 112.795 0.02 . 1 . . . . . 102 HIS N . 50765 1 634 . 1 . 1 105 105 VAL H H 1 7.130 0.00 . 1 . . . . . 103 VAL H . 50765 1 635 . 1 . 1 105 105 VAL HA H 1 5.326 0.00 . 1 . . . . . 103 VAL HA . 50765 1 636 . 1 . 1 105 105 VAL C C 13 174.694 0.00 . 1 . . . . . 103 VAL CO . 50765 1 637 . 1 . 1 105 105 VAL CA C 13 61.046 0.08 . 1 . . . . . 103 VAL CA . 50765 1 638 . 1 . 1 105 105 VAL CB C 13 36.066 0.01 . 1 . . . . . 103 VAL CB . 50765 1 639 . 1 . 1 105 105 VAL N N 15 118.269 0.03 . 1 . . . . . 103 VAL N . 50765 1 640 . 1 . 1 106 106 ASP H H 1 8.450 0.00 . 1 . . . . . 104 ASP H . 50765 1 641 . 1 . 1 106 106 ASP HA H 1 5.113 0.00 . 1 . . . . . 104 ASP HA . 50765 1 642 . 1 . 1 106 106 ASP C C 13 178.033 0.01 . 1 . . . . . 104 ASP CO . 50765 1 643 . 1 . 1 106 106 ASP CA C 13 52.161 0.10 . 1 . . . . . 104 ASP CA . 50765 1 644 . 1 . 1 106 106 ASP CB C 13 42.712 0.02 . 1 . . . . . 104 ASP CB . 50765 1 645 . 1 . 1 106 106 ASP N N 15 125.556 0.05 . 1 . . . . . 104 ASP N . 50765 1 646 . 1 . 1 107 107 ALA H H 1 8.369 0.00 . 1 . . . . . 105 ALA H . 50765 1 647 . 1 . 1 107 107 ALA HA H 1 3.949 0.00 . 1 . . . . . 105 ALA HA . 50765 1 648 . 1 . 1 107 107 ALA C C 13 178.835 0.02 . 1 . . . . . 105 ALA CO . 50765 1 649 . 1 . 1 107 107 ALA CA C 13 54.734 0.05 . 1 . . . . . 105 ALA CA . 50765 1 650 . 1 . 1 107 107 ALA CB C 13 18.582 0.04 . 1 . . . . . 105 ALA CB . 50765 1 651 . 1 . 1 107 107 ALA N N 15 117.785 0.05 . 1 . . . . . 105 ALA N . 50765 1 652 . 1 . 1 108 108 ASN H H 1 8.268 0.00 . 1 . . . . . 106 ASN H . 50765 1 653 . 1 . 1 108 108 ASN HA H 1 4.912 0.00 . 1 . . . . . 106 ASN HA . 50765 1 654 . 1 . 1 108 108 ASN HD21 H 1 8.105 0.00 . 2 . . . . . 106 ASN HD21 . 50765 1 655 . 1 . 1 108 108 ASN HD22 H 1 7.040 0.00 . 2 . . . . . 106 ASN HD22 . 50765 1 656 . 1 . 1 108 108 ASN C C 13 175.863 0.02 . 1 . . . . . 106 ASN CO . 50765 1 657 . 1 . 1 108 108 ASN CA C 13 53.085 0.05 . 1 . . . . . 106 ASN CA . 50765 1 658 . 1 . 1 108 108 ASN CB C 13 39.103 0.05 . 1 . . . . . 106 ASN CB . 50765 1 659 . 1 . 1 108 108 ASN CG C 13 177.517 0.00 . 1 . . . . . 106 ASN CG . 50765 1 660 . 1 . 1 108 108 ASN N N 15 113.878 0.03 . 1 . . . . . 106 ASN N . 50765 1 661 . 1 . 1 108 108 ASN ND2 N 15 114.243 0.20 . 1 . . . . . 106 ASN ND2 . 50765 1 662 . 1 . 1 109 109 GLY H H 1 8.823 0.00 . 1 . . . . . 107 GLY H . 50765 1 663 . 1 . 1 109 109 GLY HA2 H 1 4.557 0.00 . 2 . . . . . 107 GLY HA1 . 50765 1 664 . 1 . 1 109 109 GLY HA3 H 1 3.587 0.00 . 2 . . . . . 107 GLY HA2 . 50765 1 665 . 1 . 1 109 109 GLY C C 13 172.928 0.00 . 1 . . . . . 107 GLY CO . 50765 1 666 . 1 . 1 109 109 GLY CA C 13 45.502 0.06 . 1 . . . . . 107 GLY CA . 50765 1 667 . 1 . 1 109 109 GLY N N 15 109.772 0.06 . 1 . . . . . 107 GLY N . 50765 1 668 . 1 . 1 110 110 LYS H H 1 8.511 0.00 . 1 . . . . . 108 LYS H . 50765 1 669 . 1 . 1 110 110 LYS HA H 1 3.831 0.00 . 1 . . . . . 108 LYS HA . 50765 1 670 . 1 . 1 110 110 LYS C C 13 175.378 0.02 . 1 . . . . . 108 LYS CO . 50765 1 671 . 1 . 1 110 110 LYS CA C 13 57.797 0.05 . 1 . . . . . 108 LYS CA . 50765 1 672 . 1 . 1 110 110 LYS CB C 13 32.332 0.03 . 1 . . . . . 108 LYS CB . 50765 1 673 . 1 . 1 110 110 LYS N N 15 124.629 0.06 . 1 . . . . . 108 LYS N . 50765 1 674 . 1 . 1 111 111 ILE H H 1 7.819 0.01 . 1 . . . . . 109 ILE H . 50765 1 675 . 1 . 1 111 111 ILE HA H 1 5.068 0.00 . 1 . . . . . 109 ILE HA . 50765 1 676 . 1 . 1 111 111 ILE C C 13 175.429 0.03 . 1 . . . . . 109 ILE CO . 50765 1 677 . 1 . 1 111 111 ILE CA C 13 59.954 0.10 . 1 . . . . . 109 ILE CA . 50765 1 678 . 1 . 1 111 111 ILE CB C 13 39.767 0.03 . 1 . . . . . 109 ILE CB . 50765 1 679 . 1 . 1 111 111 ILE N N 15 125.629 0.07 . 1 . . . . . 109 ILE N . 50765 1 680 . 1 . 1 112 112 TYR H H 1 9.000 0.00 . 1 . . . . . 110 TYR H . 50765 1 681 . 1 . 1 112 112 TYR HA H 1 4.723 0.00 . 1 . . . . . 110 TYR HA . 50765 1 682 . 1 . 1 112 112 TYR C C 13 174.892 0.01 . 1 . . . . . 110 TYR CO . 50765 1 683 . 1 . 1 112 112 TYR CA C 13 57.107 0.08 . 1 . . . . . 110 TYR CA . 50765 1 684 . 1 . 1 112 112 TYR CB C 13 40.194 0.00 . 1 . . . . . 110 TYR CB . 50765 1 685 . 1 . 1 112 112 TYR N N 15 127.935 0.04 . 1 . . . . . 110 TYR N . 50765 1 686 . 1 . 1 113 113 LEU H H 1 7.349 0.00 . 1 . . . . . 111 LEU H . 50765 1 687 . 1 . 1 113 113 LEU HA H 1 5.036 0.00 . 1 . . . . . 111 LEU HA . 50765 1 688 . 1 . 1 113 113 LEU C C 13 175.305 0.01 . 1 . . . . . 111 LEU CO . 50765 1 689 . 1 . 1 113 113 LEU CA C 13 51.604 0.03 . 1 . . . . . 111 LEU CA . 50765 1 690 . 1 . 1 113 113 LEU CB C 13 47.315 0.00 . 1 . . . . . 111 LEU CB . 50765 1 691 . 1 . 1 113 113 LEU N N 15 120.242 0.01 . 1 . . . . . 111 LEU N . 50765 1 692 . 1 . 1 114 114 PRO HA H 1 4.425 0.00 . 1 . . . . . 112 PRO HA . 50765 1 693 . 1 . 1 114 114 PRO C C 13 177.755 0.01 . 1 . . . . . 112 PRO CO . 50765 1 694 . 1 . 1 114 114 PRO CA C 13 65.974 0.09 . 1 . . . . . 112 PRO CA . 50765 1 695 . 1 . 1 114 114 PRO CB C 13 31.123 0.03 . 1 . . . . . 112 PRO CB . 50765 1 696 . 1 . 1 114 114 PRO N N 15 138.593 0.02 . 1 . . . . . 112 PRO N . 50765 1 697 . 1 . 1 115 115 TYR H H 1 8.239 0.00 . 1 . . . . . 113 TYR H . 50765 1 698 . 1 . 1 115 115 TYR C C 13 178.672 0.02 . 1 . . . . . 113 TYR CO . 50765 1 699 . 1 . 1 115 115 TYR CA C 13 61.339 0.09 . 1 . . . . . 113 TYR CA . 50765 1 700 . 1 . 1 115 115 TYR CB C 13 40.404 0.00 . 1 . . . . . 113 TYR CB . 50765 1 701 . 1 . 1 115 115 TYR N N 15 114.865 0.03 . 1 . . . . . 113 TYR N . 50765 1 702 . 1 . 1 116 116 LEU H H 1 7.227 0.01 . 1 . . . . . 114 LEU H . 50765 1 703 . 1 . 1 116 116 LEU HA H 1 4.586 0.00 . 1 . . . . . 114 LEU HA . 50765 1 704 . 1 . 1 116 116 LEU C C 13 178.640 0.00 . 1 . . . . . 114 LEU CO . 50765 1 705 . 1 . 1 116 116 LEU CA C 13 56.929 0.08 . 1 . . . . . 114 LEU CA . 50765 1 706 . 1 . 1 116 116 LEU CB C 13 42.384 0.01 . 1 . . . . . 114 LEU CB . 50765 1 707 . 1 . 1 116 116 LEU N N 15 112.220 0.05 . 1 . . . . . 114 LEU N . 50765 1 708 . 1 . 1 117 117 HIS H H 1 7.937 0.00 . 1 . . . . . 115 HIS H . 50765 1 709 . 1 . 1 117 117 HIS HA H 1 4.507 0.00 . 1 . . . . . 115 HIS HA . 50765 1 710 . 1 . 1 117 117 HIS C C 13 177.186 0.03 . 1 . . . . . 115 HIS CO . 50765 1 711 . 1 . 1 117 117 HIS CA C 13 59.291 0.07 . 1 . . . . . 115 HIS CA . 50765 1 712 . 1 . 1 117 117 HIS CB C 13 30.738 0.02 . 1 . . . . . 115 HIS CB . 50765 1 713 . 1 . 1 117 117 HIS N N 15 120.286 0.08 . 1 . . . . . 115 HIS N . 50765 1 714 . 1 . 1 118 118 GLU H H 1 8.393 0.00 . 1 . . . . . 116 GLU H . 50765 1 715 . 1 . 1 118 118 GLU HA H 1 4.298 0.00 . 1 . . . . . 116 GLU HA . 50765 1 716 . 1 . 1 118 118 GLU C C 13 174.977 0.01 . 1 . . . . . 116 GLU CO . 50765 1 717 . 1 . 1 118 118 GLU CA C 13 54.860 0.08 . 1 . . . . . 116 GLU CA . 50765 1 718 . 1 . 1 118 118 GLU CB C 13 29.025 0.03 . 1 . . . . . 116 GLU CB . 50765 1 719 . 1 . 1 118 118 GLU N N 15 115.649 0.03 . 1 . . . . . 116 GLU N . 50765 1 720 . 1 . 1 119 119 TRP H H 1 6.855 0.01 . 1 . . . . . 117 TRP H . 50765 1 721 . 1 . 1 119 119 TRP HA H 1 4.161 0.00 . 1 . . . . . 117 TRP HA . 50765 1 722 . 1 . 1 119 119 TRP HE1 H 1 10.298 0.00 . 1 . . . . . 117 TRP HE1 . 50765 1 723 . 1 . 1 119 119 TRP C C 13 176.261 0.01 . 1 . . . . . 117 TRP CO . 50765 1 724 . 1 . 1 119 119 TRP CA C 13 58.828 0.08 . 1 . . . . . 117 TRP CA . 50765 1 725 . 1 . 1 119 119 TRP CB C 13 30.063 0.00 . 1 . . . . . 117 TRP CB . 50765 1 726 . 1 . 1 119 119 TRP N N 15 121.793 0.01 . 1 . . . . . 117 TRP N . 50765 1 727 . 1 . 1 119 119 TRP NE1 N 15 131.086 0.00 . 1 . . . . . 117 TRP NE1 . 50765 1 728 . 1 . 1 120 120 LYS H H 1 8.172 0.00 . 1 . . . . . 118 LYS H . 50765 1 729 . 1 . 1 120 120 LYS HA H 1 4.504 0.00 . 1 . . . . . 118 LYS HA . 50765 1 730 . 1 . 1 120 120 LYS C C 13 174.419 0.01 . 1 . . . . . 118 LYS CO . 50765 1 731 . 1 . 1 120 120 LYS CA C 13 55.528 0.03 . 1 . . . . . 118 LYS CA . 50765 1 732 . 1 . 1 120 120 LYS CB C 13 34.532 0.03 . 1 . . . . . 118 LYS CB . 50765 1 733 . 1 . 1 120 120 LYS N N 15 128.945 0.03 . 1 . . . . . 118 LYS N . 50765 1 734 . 1 . 1 121 121 HIS H H 1 9.206 0.01 . 1 . . . . . 119 HIS H . 50765 1 735 . 1 . 1 121 121 HIS HA H 1 4.663 0.00 . 1 . . . . . 119 HIS HA . 50765 1 736 . 1 . 1 121 121 HIS C C 13 175.654 0.02 . 1 . . . . . 119 HIS CO . 50765 1 737 . 1 . 1 121 121 HIS CA C 13 54.732 0.13 . 1 . . . . . 119 HIS CA . 50765 1 738 . 1 . 1 121 121 HIS CB C 13 29.343 0.00 . 1 . . . . . 119 HIS CB . 50765 1 739 . 1 . 1 121 121 HIS N N 15 128.955 0.03 . 1 . . . . . 119 HIS N . 50765 1 740 . 1 . 1 122 122 PRO HA H 1 3.536 0.00 . 1 . . . . . 120 PRO HA . 50765 1 741 . 1 . 1 122 122 PRO C C 13 175.209 0.00 . 1 . . . . . 120 PRO CO . 50765 1 742 . 1 . 1 122 122 PRO CA C 13 63.224 0.09 . 1 . . . . . 120 PRO CA . 50765 1 743 . 1 . 1 122 122 PRO CB C 13 33.593 0.05 . 1 . . . . . 120 PRO CB . 50765 1 744 . 1 . 1 122 122 PRO N N 15 138.706 0.02 . 1 . . . . . 120 PRO N . 50765 1 745 . 1 . 1 123 123 GLN H H 1 7.936 0.00 . 1 . . . . . 121 GLN H . 50765 1 746 . 1 . 1 123 123 GLN HA H 1 3.836 0.00 . 1 . . . . . 121 GLN HA . 50765 1 747 . 1 . 1 123 123 GLN HE21 H 1 7.413 0.00 . 2 . . . . . 121 GLN HE21 . 50765 1 748 . 1 . 1 123 123 GLN HE22 H 1 6.704 0.00 . 2 . . . . . 121 GLN HE22 . 50765 1 749 . 1 . 1 123 123 GLN C C 13 176.438 0.00 . 1 . . . . . 121 GLN CO . 50765 1 750 . 1 . 1 123 123 GLN CA C 13 59.984 0.08 . 1 . . . . . 121 GLN CA . 50765 1 751 . 1 . 1 123 123 GLN CB C 13 27.886 0.03 . 1 . . . . . 121 GLN CB . 50765 1 752 . 1 . 1 123 123 GLN CG C 13 34.501 0.03 . 1 . . . . . 121 GLN CG . 50765 1 753 . 1 . 1 123 123 GLN CD C 13 180.607 0.00 . 1 . . . . . 121 GLN CD . 50765 1 754 . 1 . 1 123 123 GLN N N 15 125.672 0.01 . 1 . . . . . 121 GLN N . 50765 1 755 . 1 . 1 123 123 GLN NE2 N 15 111.364 0.21 . 1 . . . . . 121 GLN NE2 . 50765 1 756 . 1 . 1 124 124 SER H H 1 7.799 0.00 . 1 . . . . . 122 SER H . 50765 1 757 . 1 . 1 124 124 SER HA H 1 4.328 0.00 . 1 . . . . . 122 SER HA . 50765 1 758 . 1 . 1 124 124 SER C C 13 170.896 0.01 . 1 . . . . . 122 SER CO . 50765 1 759 . 1 . 1 124 124 SER CA C 13 56.854 0.06 . 1 . . . . . 122 SER CA . 50765 1 760 . 1 . 1 124 124 SER CB C 13 60.838 0.03 . 1 . . . . . 122 SER CB . 50765 1 761 . 1 . 1 124 124 SER N N 15 116.717 0.05 . 1 . . . . . 122 SER N . 50765 1 762 . 1 . 1 125 125 ASP H H 1 8.441 0.00 . 1 . . . . . 123 ASP H . 50765 1 763 . 1 . 1 125 125 ASP HA H 1 4.604 0.00 . 1 . . . . . 123 ASP HA . 50765 1 764 . 1 . 1 125 125 ASP C C 13 175.356 0.02 . 1 . . . . . 123 ASP CO . 50765 1 765 . 1 . 1 125 125 ASP CA C 13 53.263 0.09 . 1 . . . . . 123 ASP CA . 50765 1 766 . 1 . 1 125 125 ASP CB C 13 42.120 0.04 . 1 . . . . . 123 ASP CB . 50765 1 767 . 1 . 1 125 125 ASP N N 15 120.674 0.03 . 1 . . . . . 123 ASP N . 50765 1 768 . 1 . 1 126 126 LEU H H 1 8.556 0.01 . 1 . . . . . 124 LEU H . 50765 1 769 . 1 . 1 126 126 LEU C C 13 179.011 0.02 . 1 . . . . . 124 LEU CO . 50765 1 770 . 1 . 1 126 126 LEU CA C 13 58.394 0.13 . 1 . . . . . 124 LEU CA . 50765 1 771 . 1 . 1 126 126 LEU CB C 13 42.771 0.07 . 1 . . . . . 124 LEU CB . 50765 1 772 . 1 . 1 126 126 LEU N N 15 119.159 0.02 . 1 . . . . . 124 LEU N . 50765 1 773 . 1 . 1 127 127 LEU H H 1 8.134 0.00 . 1 . . . . . 125 LEU H . 50765 1 774 . 1 . 1 127 127 LEU HA H 1 4.055 0.00 . 1 . . . . . 125 LEU HA . 50765 1 775 . 1 . 1 127 127 LEU C C 13 180.129 0.03 . 1 . . . . . 125 LEU CO . 50765 1 776 . 1 . 1 127 127 LEU CA C 13 58.345 0.07 . 1 . . . . . 125 LEU CA . 50765 1 777 . 1 . 1 127 127 LEU CB C 13 41.353 0.03 . 1 . . . . . 125 LEU CB . 50765 1 778 . 1 . 1 127 127 LEU N N 15 118.374 0.05 . 1 . . . . . 125 LEU N . 50765 1 779 . 1 . 1 128 128 GLY H H 1 8.945 0.00 . 1 . . . . . 126 GLY H . 50765 1 780 . 1 . 1 128 128 GLY HA2 H 1 3.962 0.00 . 2 . . . . . 126 GLY HA1 . 50765 1 781 . 1 . 1 128 128 GLY HA3 H 1 3.676 0.00 . 2 . . . . . 126 GLY HA2 . 50765 1 782 . 1 . 1 128 128 GLY C C 13 176.542 0.01 . 1 . . . . . 126 GLY CO . 50765 1 783 . 1 . 1 128 128 GLY CA C 13 46.631 0.04 . 1 . . . . . 126 GLY CA . 50765 1 784 . 1 . 1 128 128 GLY N N 15 110.083 0.03 . 1 . . . . . 126 GLY N . 50765 1 785 . 1 . 1 129 129 LEU H H 1 8.027 0.00 . 1 . . . . . 127 LEU H . 50765 1 786 . 1 . 1 129 129 LEU HA H 1 3.190 0.00 . 1 . . . . . 127 LEU HA . 50765 1 787 . 1 . 1 129 129 LEU C C 13 177.696 0.01 . 1 . . . . . 127 LEU CO . 50765 1 788 . 1 . 1 129 129 LEU CA C 13 57.194 0.08 . 1 . . . . . 127 LEU CA . 50765 1 789 . 1 . 1 129 129 LEU CB C 13 41.829 0.02 . 1 . . . . . 127 LEU CB . 50765 1 790 . 1 . 1 129 129 LEU N N 15 123.136 0.03 . 1 . . . . . 127 LEU N . 50765 1 791 . 1 . 1 130 130 ILE H H 1 8.255 0.01 . 1 . . . . . 128 ILE H . 50765 1 792 . 1 . 1 130 130 ILE HA H 1 3.379 0.00 . 1 . . . . . 128 ILE HA . 50765 1 793 . 1 . 1 130 130 ILE C C 13 177.423 0.00 . 1 . . . . . 128 ILE CO . 50765 1 794 . 1 . 1 130 130 ILE CA C 13 65.015 0.08 . 1 . . . . . 128 ILE CA . 50765 1 795 . 1 . 1 130 130 ILE CB C 13 37.194 0.01 . 1 . . . . . 128 ILE CB . 50765 1 796 . 1 . 1 130 130 ILE N N 15 119.606 0.04 . 1 . . . . . 128 ILE N . 50765 1 797 . 1 . 1 131 131 GLN H H 1 7.867 0.00 . 1 . . . . . 129 GLN H . 50765 1 798 . 1 . 1 131 131 GLN HA H 1 3.913 0.00 . 1 . . . . . 129 GLN HA . 50765 1 799 . 1 . 1 131 131 GLN HE21 H 1 7.272 0.00 . 2 . . . . . 129 GLN HE21 . 50765 1 800 . 1 . 1 131 131 GLN HE22 H 1 6.924 0.00 . 2 . . . . . 129 GLN HE22 . 50765 1 801 . 1 . 1 131 131 GLN C C 13 179.023 0.01 . 1 . . . . . 129 GLN CO . 50765 1 802 . 1 . 1 131 131 GLN CA C 13 59.763 0.06 . 1 . . . . . 129 GLN CA . 50765 1 803 . 1 . 1 131 131 GLN CB C 13 27.976 0.04 . 1 . . . . . 129 GLN CB . 50765 1 804 . 1 . 1 131 131 GLN CG C 13 34.413 0.01 . 1 . . . . . 129 GLN CG . 50765 1 805 . 1 . 1 131 131 GLN CD C 13 180.322 0.06 . 1 . . . . . 129 GLN CD . 50765 1 806 . 1 . 1 131 131 GLN N N 15 117.130 0.03 . 1 . . . . . 129 GLN N . 50765 1 807 . 1 . 1 131 131 GLN NE2 N 15 111.073 0.17 . 1 . . . . . 129 GLN NE2 . 50765 1 808 . 1 . 1 132 132 VAL H H 1 7.479 0.00 . 1 . . . . . 130 VAL H . 50765 1 809 . 1 . 1 132 132 VAL HA H 1 3.659 0.00 . 1 . . . . . 130 VAL HA . 50765 1 810 . 1 . 1 132 132 VAL C C 13 177.590 0.00 . 1 . . . . . 130 VAL CO . 50765 1 811 . 1 . 1 132 132 VAL CA C 13 66.225 0.08 . 1 . . . . . 130 VAL CA . 50765 1 812 . 1 . 1 132 132 VAL CB C 13 30.982 0.03 . 1 . . . . . 130 VAL CB . 50765 1 813 . 1 . 1 132 132 VAL N N 15 118.944 0.03 . 1 . . . . . 130 VAL N . 50765 1 814 . 1 . 1 133 133 MET H H 1 8.144 0.00 . 1 . . . . . 131 MET H . 50765 1 815 . 1 . 1 133 133 MET HA H 1 3.021 0.00 . 1 . . . . . 131 MET HA . 50765 1 816 . 1 . 1 133 133 MET C C 13 176.792 0.01 . 1 . . . . . 131 MET CO . 50765 1 817 . 1 . 1 133 133 MET CA C 13 60.346 0.09 . 1 . . . . . 131 MET CA . 50765 1 818 . 1 . 1 133 133 MET CB C 13 32.670 0.01 . 1 . . . . . 131 MET CB . 50765 1 819 . 1 . 1 133 133 MET N N 15 120.154 0.05 . 1 . . . . . 131 MET N . 50765 1 820 . 1 . 1 134 134 ILE H H 1 8.122 0.00 . 1 . . . . . 132 ILE H . 50765 1 821 . 1 . 1 134 134 ILE HA H 1 3.567 0.00 . 1 . . . . . 132 ILE HA . 50765 1 822 . 1 . 1 134 134 ILE C C 13 178.663 0.02 . 1 . . . . . 132 ILE CO . 50765 1 823 . 1 . 1 134 134 ILE CA C 13 66.334 0.08 . 1 . . . . . 132 ILE CA . 50765 1 824 . 1 . 1 134 134 ILE CB C 13 38.330 0.00 . 1 . . . . . 132 ILE CB . 50765 1 825 . 1 . 1 134 134 ILE N N 15 118.002 0.01 . 1 . . . . . 132 ILE N . 50765 1 826 . 1 . 1 135 135 VAL H H 1 7.366 0.00 . 1 . . . . . 133 VAL H . 50765 1 827 . 1 . 1 135 135 VAL HA H 1 3.724 0.00 . 1 . . . . . 133 VAL HA . 50765 1 828 . 1 . 1 135 135 VAL C C 13 179.538 0.01 . 1 . . . . . 133 VAL CO . 50765 1 829 . 1 . 1 135 135 VAL CA C 13 66.661 0.09 . 1 . . . . . 133 VAL CA . 50765 1 830 . 1 . 1 135 135 VAL CB C 13 31.814 0.03 . 1 . . . . . 133 VAL CB . 50765 1 831 . 1 . 1 135 135 VAL N N 15 120.257 0.02 . 1 . . . . . 133 VAL N . 50765 1 832 . 1 . 1 136 136 VAL H H 1 8.562 0.00 . 1 . . . . . 134 VAL H . 50765 1 833 . 1 . 1 136 136 VAL HA H 1 3.823 0.00 . 1 . . . . . 134 VAL HA . 50765 1 834 . 1 . 1 136 136 VAL C C 13 180.029 0.02 . 1 . . . . . 134 VAL CO . 50765 1 835 . 1 . 1 136 136 VAL CA C 13 66.267 0.06 . 1 . . . . . 134 VAL CA . 50765 1 836 . 1 . 1 136 136 VAL CB C 13 31.526 0.04 . 1 . . . . . 134 VAL CB . 50765 1 837 . 1 . 1 136 136 VAL N N 15 120.047 0.02 . 1 . . . . . 134 VAL N . 50765 1 838 . 1 . 1 137 137 PHE H H 1 8.967 0.00 . 1 . . . . . 135 PHE H . 50765 1 839 . 1 . 1 137 137 PHE HA H 1 4.934 0.00 . 1 . . . . . 135 PHE HA . 50765 1 840 . 1 . 1 137 137 PHE C C 13 176.546 0.02 . 1 . . . . . 135 PHE CO . 50765 1 841 . 1 . 1 137 137 PHE CA C 13 55.192 0.07 . 1 . . . . . 135 PHE CA . 50765 1 842 . 1 . 1 137 137 PHE CB C 13 37.015 0.02 . 1 . . . . . 135 PHE CB . 50765 1 843 . 1 . 1 137 137 PHE N N 15 119.434 0.06 . 1 . . . . . 135 PHE N . 50765 1 844 . 1 . 1 138 138 GLY H H 1 7.770 0.01 . 1 . . . . . 136 GLY H . 50765 1 845 . 1 . 1 138 138 GLY HA2 H 1 4.157 0.00 . 2 . . . . . 136 GLY HA1 . 50765 1 846 . 1 . 1 138 138 GLY HA3 H 1 3.995 0.00 . 2 . . . . . 136 GLY HA2 . 50765 1 847 . 1 . 1 138 138 GLY C C 13 174.619 0.00 . 1 . . . . . 136 GLY CO . 50765 1 848 . 1 . 1 138 138 GLY CA C 13 46.438 0.05 . 1 . . . . . 136 GLY CA . 50765 1 849 . 1 . 1 138 138 GLY N N 15 106.341 0.06 . 1 . . . . . 136 GLY N . 50765 1 850 . 1 . 1 139 139 ASP H H 1 7.362 0.00 . 1 . . . . . 137 ASP H . 50765 1 851 . 1 . 1 139 139 ASP HA H 1 4.941 0.00 . 1 . . . . . 137 ASP HA . 50765 1 852 . 1 . 1 139 139 ASP C C 13 176.968 0.03 . 1 . . . . . 137 ASP CO . 50765 1 853 . 1 . 1 139 139 ASP CA C 13 55.850 0.02 . 1 . . . . . 137 ASP CA . 50765 1 854 . 1 . 1 139 139 ASP CB C 13 42.235 0.02 . 1 . . . . . 137 ASP CB . 50765 1 855 . 1 . 1 139 139 ASP N N 15 118.960 0.04 . 1 . . . . . 137 ASP N . 50765 1 856 . 1 . 1 140 140 GLU H H 1 7.734 0.00 . 1 . . . . . 138 GLU H . 50765 1 857 . 1 . 1 140 140 GLU HA H 1 4.567 0.00 . 1 . . . . . 138 GLU HA . 50765 1 858 . 1 . 1 140 140 GLU C C 13 171.362 0.01 . 1 . . . . . 138 GLU CO . 50765 1 859 . 1 . 1 140 140 GLU CA C 13 53.745 0.06 . 1 . . . . . 138 GLU CA . 50765 1 860 . 1 . 1 140 140 GLU CB C 13 31.243 0.00 . 1 . . . . . 138 GLU CB . 50765 1 861 . 1 . 1 140 140 GLU N N 15 117.915 0.03 . 1 . . . . . 138 GLU N . 50765 1 862 . 1 . 1 141 141 PRO HA H 1 4.406 0.00 . 1 . . . . . 139 PRO HA . 50765 1 863 . 1 . 1 141 141 PRO HD2 H 1 3.629 0.00 . 5 . . . . . 139 PRO HD1 . 50765 1 864 . 1 . 1 141 141 PRO HD3 H 1 3.480 0.00 . 5 . . . . . 139 PRO HD2 . 50765 1 865 . 1 . 1 141 141 PRO C C 13 173.919 0.00 . 1 . . . . . 139 PRO CO . 50765 1 866 . 1 . 1 141 141 PRO CA C 13 64.947 0.00 . 1 . . . . . 139 PRO CA . 50765 1 867 . 1 . 1 141 141 PRO CD C 13 49.938 0.05 . 5 . . . . . 139 PRO CD . 50765 1 868 . 1 . 1 141 141 PRO N N 15 141.801 0.11 . 1 . . . . . 139 PRO N . 50765 1 869 . 1 . 1 142 142 PRO HD2 H 1 3.291 0.00 . 5 . . . . . 140 PRO HD1 . 50765 1 870 . 1 . 1 142 142 PRO HD3 H 1 3.122 0.00 . 5 . . . . . 140 PRO HD2 . 50765 1 871 . 1 . 1 142 142 PRO C C 13 174.700 0.01 . 1 . . . . . 140 PRO CO . 50765 1 872 . 1 . 1 142 142 PRO CA C 13 63.562 0.08 . 1 . . . . . 140 PRO CA . 50765 1 873 . 1 . 1 142 142 PRO CB C 13 32.145 0.08 . 1 . . . . . 140 PRO CB . 50765 1 874 . 1 . 1 142 142 PRO CD C 13 49.977 0.08 . 5 . . . . . 140 PRO CD . 50765 1 875 . 1 . 1 142 142 PRO N N 15 141.877 0.09 . 1 . . . . . 140 PRO N . 50765 1 876 . 1 . 1 143 143 VAL H H 1 6.705 0.00 . 1 . . . . . 141 VAL H . 50765 1 877 . 1 . 1 143 143 VAL HA H 1 5.219 0.00 . 1 . . . . . 141 VAL HA . 50765 1 878 . 1 . 1 143 143 VAL C C 13 174.515 0.00 . 1 . . . . . 141 VAL CO . 50765 1 879 . 1 . 1 143 143 VAL CA C 13 57.825 0.06 . 1 . . . . . 141 VAL CA . 50765 1 880 . 1 . 1 143 143 VAL CB C 13 36.474 0.05 . 1 . . . . . 141 VAL CB . 50765 1 881 . 1 . 1 143 143 VAL N N 15 109.275 0.04 . 1 . . . . . 141 VAL N . 50765 1 882 . 1 . 1 144 144 PHE H H 1 8.582 0.00 . 1 . . . . . 142 PHE H . 50765 1 883 . 1 . 1 144 144 PHE HA H 1 4.768 0.00 . 1 . . . . . 142 PHE HA . 50765 1 884 . 1 . 1 144 144 PHE C C 13 174.609 0.01 . 1 . . . . . 142 PHE CO . 50765 1 885 . 1 . 1 144 144 PHE CA C 13 56.641 0.10 . 1 . . . . . 142 PHE CA . 50765 1 886 . 1 . 1 144 144 PHE CB C 13 41.252 0.01 . 1 . . . . . 142 PHE CB . 50765 1 887 . 1 . 1 144 144 PHE N N 15 118.618 0.03 . 1 . . . . . 142 PHE N . 50765 1 888 . 1 . 1 145 145 SER H H 1 8.470 0.00 . 1 . . . . . 143 SER H . 50765 1 889 . 1 . 1 145 145 SER HA H 1 4.713 0.00 . 1 . . . . . 143 SER HA . 50765 1 890 . 1 . 1 145 145 SER C C 13 173.583 0.03 . 1 . . . . . 143 SER CO . 50765 1 891 . 1 . 1 145 145 SER CA C 13 58.047 0.10 . 1 . . . . . 143 SER CA . 50765 1 892 . 1 . 1 145 145 SER CB C 13 64.110 0.01 . 1 . . . . . 143 SER CB . 50765 1 893 . 1 . 1 145 145 SER N N 15 117.642 0.03 . 1 . . . . . 143 SER N . 50765 1 894 . 1 . 1 146 146 ARG H H 1 8.371 0.00 . 1 . . . . . 144 ARG H . 50765 1 895 . 1 . 1 146 146 ARG HA H 1 4.532 0.00 . 1 . . . . . 144 ARG HA . 50765 1 896 . 1 . 1 146 146 ARG C C 13 173.602 0.01 . 1 . . . . . 144 ARG CO . 50765 1 897 . 1 . 1 146 146 ARG CA C 13 54.288 0.07 . 1 . . . . . 144 ARG CA . 50765 1 898 . 1 . 1 146 146 ARG CB C 13 30.269 0.00 . 1 . . . . . 144 ARG CB . 50765 1 899 . 1 . 1 146 146 ARG N N 15 125.651 0.02 . 1 . . . . . 144 ARG N . 50765 1 900 . 1 . 1 147 147 PRO HA H 1 4.267 0.00 . 1 . . . . . 145 PRO HA . 50765 1 901 . 1 . 1 147 147 PRO HD2 H 1 3.850 0.00 . 2 . . . . . 145 PRO HD1 . 50765 1 902 . 1 . 1 147 147 PRO HD3 H 1 3.677 0.00 . 2 . . . . . 145 PRO HD2 . 50765 1 903 . 1 . 1 147 147 PRO CA C 13 64.884 0.00 . 1 . . . . . 145 PRO CA . 50765 1 904 . 1 . 1 147 147 PRO CD C 13 50.474 0.03 . 1 . . . . . 145 PRO CD . 50765 1 905 . 1 . 1 147 147 PRO N N 15 142.648 0.01 . 1 . . . . . 145 PRO N . 50765 1 stop_ save_