data_50574 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50574 _Entry.Title ; 1H, 15N and 13C sequence-specific backbone assignment of the MAP Kinase Binding Domain of Dual Specificity Phosphatase 1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-11-16 _Entry.Accession_date 2020-11-16 _Entry.Last_release_date 2020-11-16 _Entry.Original_release_date 2020-11-16 _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 Ganesan 'Senthil Kumar' . . . . 50574 2 Rebecca Page . . . . 50574 3 Wolfgang Peti . . . . 50574 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50574 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 408 50574 '15N chemical shifts' 142 50574 '1H chemical shifts' 566 50574 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2021-12-07 2020-11-16 update BMRB 'update entry citation' 50574 1 . . 2021-07-16 2020-11-16 original author 'original release' 50574 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50574 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34101142 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 1H, 15N and 13C sequence specific backbone assignment of the MAP kinase binding domain of the dual specificity phosphatase 1 and its interaction with the MAPK p38 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 15 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 243 _Citation.Page_last 248 _Citation.Year 2021 _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 Ganesan 'Senthil Kumar' . . . . 50574 1 2 Rebecca Page . . . . 50574 1 3 Wolfgang Peti . . . . 50574 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'DUSP1, MKP-1' 50574 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50574 _Assembly.ID 1 _Assembly.Name DUSP1 _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 . _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 DUSP1 1 $entity_1 . . yes native no no . . . 50574 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50574 _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 ; GHMMEVGTLDAGGLRALLGE RAAQCLLLDCRSFFAFNAGH IAGSVNVRFSTIVRRRAKGA MGLEHIVPNAELRGRLLAGA YHAVVLLDERSAALDGAKRD GTLALAAGALCREARAAQVF FLKGGYEAFSASCPELCSKQ STPMGLSLP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 1-149 _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 149 _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_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 50574 1 2 . HIS . 50574 1 3 . MET . 50574 1 4 . MET . 50574 1 5 . GLU . 50574 1 6 . VAL . 50574 1 7 . GLY . 50574 1 8 . THR . 50574 1 9 . LEU . 50574 1 10 . ASP . 50574 1 11 . ALA . 50574 1 12 . GLY . 50574 1 13 . GLY . 50574 1 14 . LEU . 50574 1 15 . ARG . 50574 1 16 . ALA . 50574 1 17 . LEU . 50574 1 18 . LEU . 50574 1 19 . GLY . 50574 1 20 . GLU . 50574 1 21 . ARG . 50574 1 22 . ALA . 50574 1 23 . ALA . 50574 1 24 . GLN . 50574 1 25 . CYS . 50574 1 26 . LEU . 50574 1 27 . LEU . 50574 1 28 . LEU . 50574 1 29 . ASP . 50574 1 30 . CYS . 50574 1 31 . ARG . 50574 1 32 . SER . 50574 1 33 . PHE . 50574 1 34 . PHE . 50574 1 35 . ALA . 50574 1 36 . PHE . 50574 1 37 . ASN . 50574 1 38 . ALA . 50574 1 39 . GLY . 50574 1 40 . HIS . 50574 1 41 . ILE . 50574 1 42 . ALA . 50574 1 43 . GLY . 50574 1 44 . SER . 50574 1 45 . VAL . 50574 1 46 . ASN . 50574 1 47 . VAL . 50574 1 48 . ARG . 50574 1 49 . PHE . 50574 1 50 . SER . 50574 1 51 . THR . 50574 1 52 . ILE . 50574 1 53 . VAL . 50574 1 54 . ARG . 50574 1 55 . ARG . 50574 1 56 . ARG . 50574 1 57 . ALA . 50574 1 58 . LYS . 50574 1 59 . GLY . 50574 1 60 . ALA . 50574 1 61 . MET . 50574 1 62 . GLY . 50574 1 63 . LEU . 50574 1 64 . GLU . 50574 1 65 . HIS . 50574 1 66 . ILE . 50574 1 67 . VAL . 50574 1 68 . PRO . 50574 1 69 . ASN . 50574 1 70 . ALA . 50574 1 71 . GLU . 50574 1 72 . LEU . 50574 1 73 . ARG . 50574 1 74 . GLY . 50574 1 75 . ARG . 50574 1 76 . LEU . 50574 1 77 . LEU . 50574 1 78 . ALA . 50574 1 79 . GLY . 50574 1 80 . ALA . 50574 1 81 . TYR . 50574 1 82 . HIS . 50574 1 83 . ALA . 50574 1 84 . VAL . 50574 1 85 . VAL . 50574 1 86 . LEU . 50574 1 87 . LEU . 50574 1 88 . ASP . 50574 1 89 . GLU . 50574 1 90 . ARG . 50574 1 91 . SER . 50574 1 92 . ALA . 50574 1 93 . ALA . 50574 1 94 . LEU . 50574 1 95 . ASP . 50574 1 96 . GLY . 50574 1 97 . ALA . 50574 1 98 . LYS . 50574 1 99 . ARG . 50574 1 100 . ASP . 50574 1 101 . GLY . 50574 1 102 . THR . 50574 1 103 . LEU . 50574 1 104 . ALA . 50574 1 105 . LEU . 50574 1 106 . ALA . 50574 1 107 . ALA . 50574 1 108 . GLY . 50574 1 109 . ALA . 50574 1 110 . LEU . 50574 1 111 . CYS . 50574 1 112 . ARG . 50574 1 113 . GLU . 50574 1 114 . ALA . 50574 1 115 . ARG . 50574 1 116 . ALA . 50574 1 117 . ALA . 50574 1 118 . GLN . 50574 1 119 . VAL . 50574 1 120 . PHE . 50574 1 121 . PHE . 50574 1 122 . LEU . 50574 1 123 . LYS . 50574 1 124 . GLY . 50574 1 125 . GLY . 50574 1 126 . TYR . 50574 1 127 . GLU . 50574 1 128 . ALA . 50574 1 129 . PHE . 50574 1 130 . SER . 50574 1 131 . ALA . 50574 1 132 . SER . 50574 1 133 . CYS . 50574 1 134 . PRO . 50574 1 135 . GLU . 50574 1 136 . LEU . 50574 1 137 . CYS . 50574 1 138 . SER . 50574 1 139 . LYS . 50574 1 140 . GLN . 50574 1 141 . SER . 50574 1 142 . THR . 50574 1 143 . PRO . 50574 1 144 . MET . 50574 1 145 . GLY . 50574 1 146 . LEU . 50574 1 147 . SER . 50574 1 148 . LEU . 50574 1 149 . PRO . 50574 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 50574 1 . HIS 2 2 50574 1 . MET 3 3 50574 1 . MET 4 4 50574 1 . GLU 5 5 50574 1 . VAL 6 6 50574 1 . GLY 7 7 50574 1 . THR 8 8 50574 1 . LEU 9 9 50574 1 . ASP 10 10 50574 1 . ALA 11 11 50574 1 . GLY 12 12 50574 1 . GLY 13 13 50574 1 . LEU 14 14 50574 1 . ARG 15 15 50574 1 . ALA 16 16 50574 1 . LEU 17 17 50574 1 . LEU 18 18 50574 1 . GLY 19 19 50574 1 . GLU 20 20 50574 1 . ARG 21 21 50574 1 . ALA 22 22 50574 1 . ALA 23 23 50574 1 . GLN 24 24 50574 1 . CYS 25 25 50574 1 . LEU 26 26 50574 1 . LEU 27 27 50574 1 . LEU 28 28 50574 1 . ASP 29 29 50574 1 . CYS 30 30 50574 1 . ARG 31 31 50574 1 . SER 32 32 50574 1 . PHE 33 33 50574 1 . PHE 34 34 50574 1 . ALA 35 35 50574 1 . PHE 36 36 50574 1 . ASN 37 37 50574 1 . ALA 38 38 50574 1 . GLY 39 39 50574 1 . HIS 40 40 50574 1 . ILE 41 41 50574 1 . ALA 42 42 50574 1 . GLY 43 43 50574 1 . SER 44 44 50574 1 . VAL 45 45 50574 1 . ASN 46 46 50574 1 . VAL 47 47 50574 1 . ARG 48 48 50574 1 . PHE 49 49 50574 1 . SER 50 50 50574 1 . THR 51 51 50574 1 . ILE 52 52 50574 1 . VAL 53 53 50574 1 . ARG 54 54 50574 1 . ARG 55 55 50574 1 . ARG 56 56 50574 1 . ALA 57 57 50574 1 . LYS 58 58 50574 1 . GLY 59 59 50574 1 . ALA 60 60 50574 1 . MET 61 61 50574 1 . GLY 62 62 50574 1 . LEU 63 63 50574 1 . GLU 64 64 50574 1 . HIS 65 65 50574 1 . ILE 66 66 50574 1 . VAL 67 67 50574 1 . PRO 68 68 50574 1 . ASN 69 69 50574 1 . ALA 70 70 50574 1 . GLU 71 71 50574 1 . LEU 72 72 50574 1 . ARG 73 73 50574 1 . GLY 74 74 50574 1 . ARG 75 75 50574 1 . LEU 76 76 50574 1 . LEU 77 77 50574 1 . ALA 78 78 50574 1 . GLY 79 79 50574 1 . ALA 80 80 50574 1 . TYR 81 81 50574 1 . HIS 82 82 50574 1 . ALA 83 83 50574 1 . VAL 84 84 50574 1 . VAL 85 85 50574 1 . LEU 86 86 50574 1 . LEU 87 87 50574 1 . ASP 88 88 50574 1 . GLU 89 89 50574 1 . ARG 90 90 50574 1 . SER 91 91 50574 1 . ALA 92 92 50574 1 . ALA 93 93 50574 1 . LEU 94 94 50574 1 . ASP 95 95 50574 1 . GLY 96 96 50574 1 . ALA 97 97 50574 1 . LYS 98 98 50574 1 . ARG 99 99 50574 1 . ASP 100 100 50574 1 . GLY 101 101 50574 1 . THR 102 102 50574 1 . LEU 103 103 50574 1 . ALA 104 104 50574 1 . LEU 105 105 50574 1 . ALA 106 106 50574 1 . ALA 107 107 50574 1 . GLY 108 108 50574 1 . ALA 109 109 50574 1 . LEU 110 110 50574 1 . CYS 111 111 50574 1 . ARG 112 112 50574 1 . GLU 113 113 50574 1 . ALA 114 114 50574 1 . ARG 115 115 50574 1 . ALA 116 116 50574 1 . ALA 117 117 50574 1 . GLN 118 118 50574 1 . VAL 119 119 50574 1 . PHE 120 120 50574 1 . PHE 121 121 50574 1 . LEU 122 122 50574 1 . LYS 123 123 50574 1 . GLY 124 124 50574 1 . GLY 125 125 50574 1 . TYR 126 126 50574 1 . GLU 127 127 50574 1 . ALA 128 128 50574 1 . PHE 129 129 50574 1 . SER 130 130 50574 1 . ALA 131 131 50574 1 . SER 132 132 50574 1 . CYS 133 133 50574 1 . PRO 134 134 50574 1 . GLU 135 135 50574 1 . LEU 136 136 50574 1 . CYS 137 137 50574 1 . SER 138 138 50574 1 . LYS 139 139 50574 1 . GLN 140 140 50574 1 . SER 141 141 50574 1 . THR 142 142 50574 1 . PRO 143 143 50574 1 . MET 144 144 50574 1 . GLY 145 145 50574 1 . LEU 146 146 50574 1 . SER 147 147 50574 1 . LEU 148 148 50574 1 . PRO 149 149 50574 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 50574 _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 . . . . . . . . . . . . . 50574 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 50574 _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 . . . plasmid . . RP1B . . . 50574 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50574 _Sample.ID 1 _Sample.Name DUSP1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% 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 DUSP1 '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.4 . . mM . . . . 50574 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 50574 1 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 50574 1 4 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 50574 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 50574 _Sample_condition_list.ID 1 _Sample_condition_list.Name DUSP1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 50574 1 pH 6.5 . pH 50574 1 pressure 1 . atm 50574 1 temperature 298 . K 50574 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50574 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.1 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 50574 1 processing . 50574 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50574 _Software.ID 2 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 50574 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50574 _Software.ID 3 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 50574 3 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 50574 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance II 500' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 50574 _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 . . . . . . . . . . . . . . . . . 50574 1 2 '3D CBCACONH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50574 1 3 '3D C(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50574 1 4 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50574 1 5 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50574 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50574 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 50574 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DUSP1 _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 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 50574 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 50574 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 50574 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 50574 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name DUSP1 _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 3 '3D C(CO)NH' . . . 50574 1 4 '3D HNCA' . . . 50574 1 5 '3D HNCACB' . . . 50574 1 6 '3D HBHA(CO)NH' . . . 50574 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 2 $software_2 . . 50574 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 2 2 HIS HA H 1 4.599 0.00 . . . . . . . 2 HIS HA . 50574 1 2 . 1 . 1 2 2 HIS HB2 H 1 3.034 0.00 . . . . . . . 2 HIS QB . 50574 1 3 . 1 . 1 2 2 HIS HB3 H 1 3.034 0.00 . . . . . . . 2 HIS QB . 50574 1 4 . 1 . 1 2 2 HIS CA C 13 56.180 0.00 . . . . . . . 2 HIS CA . 50574 1 5 . 1 . 1 2 2 HIS CB C 13 30.731 0.10 . . . . . . . 2 HIS CB . 50574 1 6 . 1 . 1 3 3 MET H H 1 8.399 0.01 . . . . . . . 3 MET H . 50574 1 7 . 1 . 1 3 3 MET HA H 1 4.338 0.00 . . . . . . . 3 MET HA . 50574 1 8 . 1 . 1 3 3 MET HB2 H 1 1.992 0.00 . . . . . . . 3 MET HB2 . 50574 1 9 . 1 . 1 3 3 MET HB3 H 1 1.911 0.00 . . . . . . . 3 MET HB3 . 50574 1 10 . 1 . 1 3 3 MET CA C 13 55.650 0.11 . . . . . . . 3 MET CA . 50574 1 11 . 1 . 1 3 3 MET CB C 13 32.871 0.04 . . . . . . . 3 MET CB . 50574 1 12 . 1 . 1 3 3 MET CG C 13 31.969 0.00 . . . . . . . 3 MET CG . 50574 1 13 . 1 . 1 3 3 MET CE C 13 18.922 0.00 . . . . . . . 3 MET CE . 50574 1 14 . 1 . 1 3 3 MET N N 15 122.110 0.05 . . . . . . . 3 MET N . 50574 1 15 . 1 . 1 4 4 MET H H 1 8.341 0.00 . . . . . . . 4 MET H . 50574 1 16 . 1 . 1 4 4 MET HA H 1 4.316 0.00 . . . . . . . 4 MET HA . 50574 1 17 . 1 . 1 4 4 MET HB2 H 1 1.956 0.00 . . . . . . . 4 MET QB . 50574 1 18 . 1 . 1 4 4 MET HB3 H 1 1.956 0.00 . . . . . . . 4 MET QB . 50574 1 19 . 1 . 1 4 4 MET CA C 13 55.764 0.02 . . . . . . . 4 MET CA . 50574 1 20 . 1 . 1 4 4 MET CB C 13 32.893 0.09 . . . . . . . 4 MET CB . 50574 1 21 . 1 . 1 4 4 MET CG C 13 31.978 0.00 . . . . . . . 4 MET CG . 50574 1 22 . 1 . 1 4 4 MET CE C 13 18.922 0.00 . . . . . . . 4 MET CE . 50574 1 23 . 1 . 1 4 4 MET N N 15 121.465 0.05 . . . . . . . 4 MET N . 50574 1 24 . 1 . 1 5 5 GLU H H 1 8.310 0.00 . . . . . . . 5 GLU H . 50574 1 25 . 1 . 1 5 5 GLU HA H 1 4.246 0.00 . . . . . . . 5 GLU HA . 50574 1 26 . 1 . 1 5 5 GLU HB2 H 1 1.913 0.00 . . . . . . . 5 GLU HB2 . 50574 1 27 . 1 . 1 5 5 GLU HB3 H 1 1.815 0.00 . . . . . . . 5 GLU HB3 . 50574 1 28 . 1 . 1 5 5 GLU CA C 13 55.923 0.06 . . . . . . . 5 GLU CA . 50574 1 29 . 1 . 1 5 5 GLU CB C 13 30.599 0.00 . . . . . . . 5 GLU CB . 50574 1 30 . 1 . 1 5 5 GLU CG C 13 36.309 0.00 . . . . . . . 5 GLU CG . 50574 1 31 . 1 . 1 5 5 GLU N N 15 122.002 0.12 . . . . . . . 5 GLU N . 50574 1 32 . 1 . 1 6 6 VAL H H 1 7.988 0.00 . . . . . . . 6 VAL H . 50574 1 33 . 1 . 1 6 6 VAL HA H 1 3.890 0.00 . . . . . . . 6 VAL HA . 50574 1 34 . 1 . 1 6 6 VAL HB H 1 1.807 0.00 . . . . . . . 6 VAL HB . 50574 1 35 . 1 . 1 6 6 VAL CA C 13 61.887 0.10 . . . . . . . 6 VAL CA . 50574 1 36 . 1 . 1 6 6 VAL CB C 13 32.550 0.08 . . . . . . . 6 VAL CB . 50574 1 37 . 1 . 1 6 6 VAL CG1 C 13 22.027 0.00 . . . . . . . 6 VAL CG1 . 50574 1 38 . 1 . 1 6 6 VAL N N 15 122.734 0.05 . . . . . . . 6 VAL N . 50574 1 39 . 1 . 1 7 7 GLY H H 1 8.460 0.00 . . . . . . . 7 GLY H . 50574 1 40 . 1 . 1 7 7 GLY HA2 H 1 4.447 0.00 . . . . . . . 7 GLY HA2 . 50574 1 41 . 1 . 1 7 7 GLY HA3 H 1 3.633 0.00 . . . . . . . 7 GLY HA3 . 50574 1 42 . 1 . 1 7 7 GLY CA C 13 44.747 0.03 . . . . . . . 7 GLY CA . 50574 1 43 . 1 . 1 7 7 GLY N N 15 115.092 0.06 . . . . . . . 7 GLY N . 50574 1 44 . 1 . 1 8 8 THR H H 1 8.882 0.00 . . . . . . . 8 THR H . 50574 1 45 . 1 . 1 8 8 THR HA H 1 5.376 0.00 . . . . . . . 8 THR HA . 50574 1 46 . 1 . 1 8 8 THR HB H 1 4.077 0.00 . . . . . . . 8 THR HB . 50574 1 47 . 1 . 1 8 8 THR CA C 13 62.172 0.10 . . . . . . . 8 THR CA . 50574 1 48 . 1 . 1 8 8 THR CB C 13 71.447 0.03 . . . . . . . 8 THR CB . 50574 1 49 . 1 . 1 8 8 THR CG2 C 13 22.629 0.00 . . . . . . . 8 THR CG2 . 50574 1 50 . 1 . 1 8 8 THR N N 15 114.955 0.04 . . . . . . . 8 THR N . 50574 1 51 . 1 . 1 9 9 LEU H H 1 8.782 0.00 . . . . . . . 9 LEU H . 50574 1 52 . 1 . 1 9 9 LEU HA H 1 4.034 0.00 . . . . . . . 9 LEU HA . 50574 1 53 . 1 . 1 9 9 LEU HB2 H 1 1.399 0.00 . . . . . . . 9 LEU HB2 . 50574 1 54 . 1 . 1 9 9 LEU HB3 H 1 1.094 0.00 . . . . . . . 9 LEU HB3 . 50574 1 55 . 1 . 1 9 9 LEU CA C 13 53.176 0.09 . . . . . . . 9 LEU CA . 50574 1 56 . 1 . 1 9 9 LEU CB C 13 46.928 0.03 . . . . . . . 9 LEU CB . 50574 1 57 . 1 . 1 9 9 LEU CG C 13 26.157 0.00 . . . . . . . 9 LEU CG . 50574 1 58 . 1 . 1 9 9 LEU CD1 C 13 23.709 0.00 . . . . . . . 9 LEU CD1 . 50574 1 59 . 1 . 1 9 9 LEU N N 15 126.132 0.05 . . . . . . . 9 LEU N . 50574 1 60 . 1 . 1 10 10 ASP H H 1 7.916 0.00 . . . . . . . 10 ASP H . 50574 1 61 . 1 . 1 10 10 ASP HA H 1 4.913 0.00 . . . . . . . 10 ASP HA . 50574 1 62 . 1 . 1 10 10 ASP HB2 H 1 3.215 0.00 . . . . . . . 10 ASP HB2 . 50574 1 63 . 1 . 1 10 10 ASP HB3 H 1 2.577 0.00 . . . . . . . 10 ASP HB3 . 50574 1 64 . 1 . 1 10 10 ASP CA C 13 51.190 0.04 . . . . . . . 10 ASP CA . 50574 1 65 . 1 . 1 10 10 ASP CB C 13 42.201 0.11 . . . . . . . 10 ASP CB . 50574 1 66 . 1 . 1 10 10 ASP N N 15 119.821 0.04 . . . . . . . 10 ASP N . 50574 1 67 . 1 . 1 11 11 ALA H H 1 8.932 0.00 . . . . . . . 11 ALA H . 50574 1 68 . 1 . 1 11 11 ALA HA H 1 3.981 0.00 . . . . . . . 11 ALA HA . 50574 1 69 . 1 . 1 11 11 ALA HB1 H 1 1.339 0.00 . . . . . . . 11 ALA MB . 50574 1 70 . 1 . 1 11 11 ALA HB2 H 1 1.339 0.00 . . . . . . . 11 ALA MB . 50574 1 71 . 1 . 1 11 11 ALA HB3 H 1 1.339 0.00 . . . . . . . 11 ALA MB . 50574 1 72 . 1 . 1 11 11 ALA CA C 13 56.606 0.05 . . . . . . . 11 ALA CA . 50574 1 73 . 1 . 1 11 11 ALA CB C 13 18.082 0.00 . . . . . . . 11 ALA CB . 50574 1 74 . 1 . 1 11 11 ALA N N 15 120.990 0.01 . . . . . . . 11 ALA N . 50574 1 75 . 1 . 1 12 12 GLY H H 1 8.346 0.00 . . . . . . . 12 GLY H . 50574 1 76 . 1 . 1 12 12 GLY HA2 H 1 3.785 0.00 . . . . . . . 12 GLY HA2 . 50574 1 77 . 1 . 1 12 12 GLY HA3 H 1 3.567 0.00 . . . . . . . 12 GLY HA3 . 50574 1 78 . 1 . 1 12 12 GLY CA C 13 46.695 0.13 . . . . . . . 12 GLY CA . 50574 1 79 . 1 . 1 12 12 GLY N N 15 104.541 0.00 . . . . . . . 12 GLY N . 50574 1 80 . 1 . 1 13 13 GLY H H 1 8.433 0.00 . . . . . . . 13 GLY H . 50574 1 81 . 1 . 1 13 13 GLY HA2 H 1 4.118 0.00 . . . . . . . 13 GLY HA2 . 50574 1 82 . 1 . 1 13 13 GLY HA3 H 1 3.814 0.00 . . . . . . . 13 GLY HA3 . 50574 1 83 . 1 . 1 13 13 GLY CA C 13 46.636 0.10 . . . . . . . 13 GLY CA . 50574 1 84 . 1 . 1 13 13 GLY N N 15 113.209 0.06 . . . . . . . 13 GLY N . 50574 1 85 . 1 . 1 14 14 LEU H H 1 8.655 0.00 . . . . . . . 14 LEU H . 50574 1 86 . 1 . 1 14 14 LEU HA H 1 4.108 0.00 . . . . . . . 14 LEU HA . 50574 1 87 . 1 . 1 14 14 LEU HB2 H 1 1.986 0.00 . . . . . . . 14 LEU HB2 . 50574 1 88 . 1 . 1 14 14 LEU HB3 H 1 1.042 0.00 . . . . . . . 14 LEU HB3 . 50574 1 89 . 1 . 1 14 14 LEU CA C 13 57.338 0.08 . . . . . . . 14 LEU CA . 50574 1 90 . 1 . 1 14 14 LEU CB C 13 40.453 0.12 . . . . . . . 14 LEU CB . 50574 1 91 . 1 . 1 14 14 LEU CG C 13 27.057 0.00 . . . . . . . 14 LEU CG . 50574 1 92 . 1 . 1 14 14 LEU CD1 C 13 24.077 0.00 . . . . . . . 14 LEU CD1 . 50574 1 93 . 1 . 1 14 14 LEU N N 15 124.162 0.04 . . . . . . . 14 LEU N . 50574 1 94 . 1 . 1 15 15 ARG H H 1 8.703 0.00 . . . . . . . 15 ARG H . 50574 1 95 . 1 . 1 15 15 ARG HA H 1 3.770 0.00 . . . . . . . 15 ARG HA . 50574 1 96 . 1 . 1 15 15 ARG HB2 H 1 2.019 0.00 . . . . . . . 15 ARG QB . 50574 1 97 . 1 . 1 15 15 ARG HB3 H 1 2.019 0.00 . . . . . . . 15 ARG QB . 50574 1 98 . 1 . 1 15 15 ARG CA C 13 60.384 0.03 . . . . . . . 15 ARG CA . 50574 1 99 . 1 . 1 15 15 ARG CB C 13 29.729 0.07 . . . . . . . 15 ARG CB . 50574 1 100 . 1 . 1 15 15 ARG CG C 13 26.950 0.00 . . . . . . . 15 ARG CG . 50574 1 101 . 1 . 1 15 15 ARG CD C 13 43.696 0.00 . . . . . . . 15 ARG CD . 50574 1 102 . 1 . 1 15 15 ARG N N 15 120.760 0.07 . . . . . . . 15 ARG N . 50574 1 103 . 1 . 1 16 16 ALA H H 1 7.717 0.00 . . . . . . . 16 ALA H . 50574 1 104 . 1 . 1 16 16 ALA HA H 1 4.065 0.00 . . . . . . . 16 ALA HA . 50574 1 105 . 1 . 1 16 16 ALA HB1 H 1 1.315 0.00 . . . . . . . 16 ALA MB . 50574 1 106 . 1 . 1 16 16 ALA HB2 H 1 1.315 0.00 . . . . . . . 16 ALA MB . 50574 1 107 . 1 . 1 16 16 ALA HB3 H 1 1.315 0.00 . . . . . . . 16 ALA MB . 50574 1 108 . 1 . 1 16 16 ALA CA C 13 54.824 0.09 . . . . . . . 16 ALA CA . 50574 1 109 . 1 . 1 16 16 ALA CB C 13 18.018 0.05 . . . . . . . 16 ALA CB . 50574 1 110 . 1 . 1 16 16 ALA N N 15 120.223 0.03 . . . . . . . 16 ALA N . 50574 1 111 . 1 . 1 17 17 LEU H H 1 7.584 0.00 . . . . . . . 17 LEU H . 50574 1 112 . 1 . 1 17 17 LEU HA H 1 3.972 0.00 . . . . . . . 17 LEU HA . 50574 1 113 . 1 . 1 17 17 LEU HB2 H 1 1.535 0.00 . . . . . . . 17 LEU QB . 50574 1 114 . 1 . 1 17 17 LEU HB3 H 1 1.535 0.00 . . . . . . . 17 LEU QB . 50574 1 115 . 1 . 1 17 17 LEU CA C 13 58.068 0.02 . . . . . . . 17 LEU CA . 50574 1 116 . 1 . 1 17 17 LEU CB C 13 42.543 0.03 . . . . . . . 17 LEU CB . 50574 1 117 . 1 . 1 17 17 LEU CG C 13 26.610 0.00 . . . . . . . 17 LEU CG . 50574 1 118 . 1 . 1 17 17 LEU CD1 C 13 24.498 0.00 . . . . . . . 17 LEU CD1 . 50574 1 119 . 1 . 1 17 17 LEU N N 15 120.936 0.10 . . . . . . . 17 LEU N . 50574 1 120 . 1 . 1 18 18 LEU H H 1 8.472 0.01 . . . . . . . 18 LEU H . 50574 1 121 . 1 . 1 18 18 LEU HA H 1 3.847 0.00 . . . . . . . 18 LEU HA . 50574 1 122 . 1 . 1 18 18 LEU HB2 H 1 1.765 0.00 . . . . . . . 18 LEU HB2 . 50574 1 123 . 1 . 1 18 18 LEU HB3 H 1 1.458 0.00 . . . . . . . 18 LEU HB3 . 50574 1 124 . 1 . 1 18 18 LEU CA C 13 56.612 0.07 . . . . . . . 18 LEU CA . 50574 1 125 . 1 . 1 18 18 LEU CB C 13 41.141 0.04 . . . . . . . 18 LEU CB . 50574 1 126 . 1 . 1 18 18 LEU CG C 13 26.174 0.00 . . . . . . . 18 LEU CG . 50574 1 127 . 1 . 1 18 18 LEU CD1 C 13 21.746 0.00 . . . . . . . 18 LEU CD1 . 50574 1 128 . 1 . 1 18 18 LEU N N 15 116.981 0.05 . . . . . . . 18 LEU N . 50574 1 129 . 1 . 1 19 19 GLY H H 1 7.978 0.00 . . . . . . . 19 GLY H . 50574 1 130 . 1 . 1 19 19 GLY HA2 H 1 3.830 0.00 . . . . . . . 19 GLY QA . 50574 1 131 . 1 . 1 19 19 GLY HA3 H 1 3.830 0.00 . . . . . . . 19 GLY QA . 50574 1 132 . 1 . 1 19 19 GLY CA C 13 46.550 0.08 . . . . . . . 19 GLY CA . 50574 1 133 . 1 . 1 19 19 GLY N N 15 106.140 0.06 . . . . . . . 19 GLY N . 50574 1 134 . 1 . 1 20 20 GLU H H 1 7.474 0.00 . . . . . . . 20 GLU H . 50574 1 135 . 1 . 1 20 20 GLU HA H 1 4.305 0.00 . . . . . . . 20 GLU HA . 50574 1 136 . 1 . 1 20 20 GLU HB2 H 1 1.969 0.00 . . . . . . . 20 GLU QB . 50574 1 137 . 1 . 1 20 20 GLU HB3 H 1 1.969 0.00 . . . . . . . 20 GLU QB . 50574 1 138 . 1 . 1 20 20 GLU CA C 13 57.552 0.07 . . . . . . . 20 GLU CA . 50574 1 139 . 1 . 1 20 20 GLU CB C 13 31.670 0.03 . . . . . . . 20 GLU CB . 50574 1 140 . 1 . 1 20 20 GLU CG C 13 36.336 0.00 . . . . . . . 20 GLU CG . 50574 1 141 . 1 . 1 20 20 GLU N N 15 118.743 0.04 . . . . . . . 20 GLU N . 50574 1 142 . 1 . 1 21 21 ARG H H 1 8.391 0.00 . . . . . . . 21 ARG H . 50574 1 143 . 1 . 1 21 21 ARG HA H 1 4.654 0.00 . . . . . . . 21 ARG HA . 50574 1 144 . 1 . 1 21 21 ARG HB2 H 1 1.741 0.00 . . . . . . . 21 ARG QB . 50574 1 145 . 1 . 1 21 21 ARG HB3 H 1 1.741 0.00 . . . . . . . 21 ARG QB . 50574 1 146 . 1 . 1 21 21 ARG CA C 13 55.213 0.09 . . . . . . . 21 ARG CA . 50574 1 147 . 1 . 1 21 21 ARG CB C 13 30.070 0.02 . . . . . . . 21 ARG CB . 50574 1 148 . 1 . 1 21 21 ARG CG C 13 26.069 0.00 . . . . . . . 21 ARG CG . 50574 1 149 . 1 . 1 21 21 ARG CD C 13 43.801 0.00 . . . . . . . 21 ARG CD . 50574 1 150 . 1 . 1 21 21 ARG N N 15 116.901 0.04 . . . . . . . 21 ARG N . 50574 1 151 . 1 . 1 22 22 ALA H H 1 8.049 0.00 . . . . . . . 22 ALA H . 50574 1 152 . 1 . 1 22 22 ALA HA H 1 3.967 0.00 . . . . . . . 22 ALA HA . 50574 1 153 . 1 . 1 22 22 ALA HB1 H 1 1.528 0.00 . . . . . . . 22 ALA MB . 50574 1 154 . 1 . 1 22 22 ALA HB2 H 1 1.528 0.00 . . . . . . . 22 ALA MB . 50574 1 155 . 1 . 1 22 22 ALA HB3 H 1 1.528 0.00 . . . . . . . 22 ALA MB . 50574 1 156 . 1 . 1 22 22 ALA CA C 13 56.620 0.06 . . . . . . . 22 ALA CA . 50574 1 157 . 1 . 1 22 22 ALA CB C 13 18.505 0.07 . . . . . . . 22 ALA CB . 50574 1 158 . 1 . 1 22 22 ALA N N 15 124.261 0.08 . . . . . . . 22 ALA N . 50574 1 159 . 1 . 1 23 23 ALA H H 1 8.482 0.00 . . . . . . . 23 ALA H . 50574 1 160 . 1 . 1 23 23 ALA HA H 1 3.942 0.00 . . . . . . . 23 ALA HA . 50574 1 161 . 1 . 1 23 23 ALA HB1 H 1 1.348 0.00 . . . . . . . 23 ALA MB . 50574 1 162 . 1 . 1 23 23 ALA HB2 H 1 1.348 0.00 . . . . . . . 23 ALA MB . 50574 1 163 . 1 . 1 23 23 ALA HB3 H 1 1.348 0.00 . . . . . . . 23 ALA MB . 50574 1 164 . 1 . 1 23 23 ALA CA C 13 53.798 0.05 . . . . . . . 23 ALA CA . 50574 1 165 . 1 . 1 23 23 ALA CB C 13 18.440 0.02 . . . . . . . 23 ALA CB . 50574 1 166 . 1 . 1 23 23 ALA N N 15 116.794 0.05 . . . . . . . 23 ALA N . 50574 1 167 . 1 . 1 24 24 GLN H H 1 8.120 0.01 . . . . . . . 24 GLN H . 50574 1 168 . 1 . 1 24 24 GLN HA H 1 4.582 0.00 . . . . . . . 24 GLN HA . 50574 1 169 . 1 . 1 24 24 GLN HB2 H 1 2.343 0.00 . . . . . . . 24 GLN HB2 . 50574 1 170 . 1 . 1 24 24 GLN HB3 H 1 2.067 0.00 . . . . . . . 24 GLN HB3 . 50574 1 171 . 1 . 1 24 24 GLN CA C 13 55.570 0.07 . . . . . . . 24 GLN CA . 50574 1 172 . 1 . 1 24 24 GLN CB C 13 29.599 0.02 . . . . . . . 24 GLN CB . 50574 1 173 . 1 . 1 24 24 GLN N N 15 114.653 0.03 . . . . . . . 24 GLN N . 50574 1 174 . 1 . 1 25 25 CYS H H 1 8.082 0.00 . . . . . . . 25 CYS H . 50574 1 175 . 1 . 1 25 25 CYS HA H 1 5.423 0.00 . . . . . . . 25 CYS HA . 50574 1 176 . 1 . 1 25 25 CYS HB2 H 1 2.785 0.00 . . . . . . . 25 CYS HB2 . 50574 1 177 . 1 . 1 25 25 CYS HB3 H 1 2.219 0.00 . . . . . . . 25 CYS HB3 . 50574 1 178 . 1 . 1 25 25 CYS CA C 13 57.748 0.04 . . . . . . . 25 CYS CA . 50574 1 179 . 1 . 1 25 25 CYS CB C 13 29.846 0.07 . . . . . . . 25 CYS CB . 50574 1 180 . 1 . 1 25 25 CYS N N 15 120.089 0.05 . . . . . . . 25 CYS N . 50574 1 181 . 1 . 1 26 26 LEU H H 1 8.302 0.00 . . . . . . . 26 LEU H . 50574 1 182 . 1 . 1 26 26 LEU HA H 1 4.328 0.00 . . . . . . . 26 LEU HA . 50574 1 183 . 1 . 1 26 26 LEU HB2 H 1 1.212 0.00 . . . . . . . 26 LEU QB . 50574 1 184 . 1 . 1 26 26 LEU HB3 H 1 1.212 0.00 . . . . . . . 26 LEU QB . 50574 1 185 . 1 . 1 26 26 LEU CA C 13 52.991 0.09 . . . . . . . 26 LEU CA . 50574 1 186 . 1 . 1 26 26 LEU CB C 13 42.239 0.05 . . . . . . . 26 LEU CB . 50574 1 187 . 1 . 1 26 26 LEU CG C 13 26.546 0.00 . . . . . . . 26 LEU CG . 50574 1 188 . 1 . 1 26 26 LEU CD1 C 13 22.588 0.00 . . . . . . . 26 LEU CD1 . 50574 1 189 . 1 . 1 26 26 LEU N N 15 125.806 0.08 . . . . . . . 26 LEU N . 50574 1 190 . 1 . 1 27 27 LEU H H 1 8.798 0.00 . . . . . . . 27 LEU H . 50574 1 191 . 1 . 1 27 27 LEU HA H 1 4.648 0.00 . . . . . . . 27 LEU HA . 50574 1 192 . 1 . 1 27 27 LEU HB2 H 1 1.476 0.00 . . . . . . . 27 LEU HB2 . 50574 1 193 . 1 . 1 27 27 LEU HB3 H 1 0.996 0.00 . . . . . . . 27 LEU HB3 . 50574 1 194 . 1 . 1 27 27 LEU CA C 13 53.808 0.08 . . . . . . . 27 LEU CA . 50574 1 195 . 1 . 1 27 27 LEU CB C 13 42.975 0.06 . . . . . . . 27 LEU CB . 50574 1 196 . 1 . 1 27 27 LEU CG C 13 27.958 0.00 . . . . . . . 27 LEU CG . 50574 1 197 . 1 . 1 27 27 LEU CD1 C 13 25.787 0.00 . . . . . . . 27 LEU CD1 . 50574 1 198 . 1 . 1 27 27 LEU N N 15 129.643 0.03 . . . . . . . 27 LEU N . 50574 1 199 . 1 . 1 28 28 LEU H H 1 9.094 0.00 . . . . . . . 28 LEU H . 50574 1 200 . 1 . 1 28 28 LEU HA H 1 4.711 0.00 . . . . . . . 28 LEU HA . 50574 1 201 . 1 . 1 28 28 LEU HB2 H 1 1.765 0.00 . . . . . . . 28 LEU HB2 . 50574 1 202 . 1 . 1 28 28 LEU HB3 H 1 0.864 0.00 . . . . . . . 28 LEU HB3 . 50574 1 203 . 1 . 1 28 28 LEU CA C 13 52.887 0.14 . . . . . . . 28 LEU CA . 50574 1 204 . 1 . 1 28 28 LEU CB C 13 41.741 0.05 . . . . . . . 28 LEU CB . 50574 1 205 . 1 . 1 28 28 LEU CG C 13 26.532 0.00 . . . . . . . 28 LEU CG . 50574 1 206 . 1 . 1 28 28 LEU CD1 C 13 22.669 0.00 . . . . . . . 28 LEU CD1 . 50574 1 207 . 1 . 1 28 28 LEU N N 15 124.471 0.03 . . . . . . . 28 LEU N . 50574 1 208 . 1 . 1 29 29 ASP H H 1 8.921 0.00 . . . . . . . 29 ASP H . 50574 1 209 . 1 . 1 29 29 ASP HA H 1 4.654 0.00 . . . . . . . 29 ASP HA . 50574 1 210 . 1 . 1 29 29 ASP HB2 H 1 2.954 0.00 . . . . . . . 29 ASP HB2 . 50574 1 211 . 1 . 1 29 29 ASP HB3 H 1 2.186 0.00 . . . . . . . 29 ASP HB3 . 50574 1 212 . 1 . 1 29 29 ASP CA C 13 53.321 0.06 . . . . . . . 29 ASP CA . 50574 1 213 . 1 . 1 29 29 ASP CB C 13 42.534 0.06 . . . . . . . 29 ASP CB . 50574 1 214 . 1 . 1 29 29 ASP N N 15 124.278 0.03 . . . . . . . 29 ASP N . 50574 1 215 . 1 . 1 30 30 CYS H H 1 9.008 0.00 . . . . . . . 30 CYS H . 50574 1 216 . 1 . 1 30 30 CYS HA H 1 4.660 0.00 . . . . . . . 30 CYS HA . 50574 1 217 . 1 . 1 30 30 CYS HB2 H 1 2.848 0.00 . . . . . . . 30 CYS QB . 50574 1 218 . 1 . 1 30 30 CYS HB3 H 1 2.848 0.00 . . . . . . . 30 CYS QB . 50574 1 219 . 1 . 1 30 30 CYS CA C 13 59.566 0.10 . . . . . . . 30 CYS CA . 50574 1 220 . 1 . 1 30 30 CYS CB C 13 27.722 0.15 . . . . . . . 30 CYS CB . 50574 1 221 . 1 . 1 30 30 CYS N N 15 125.069 0.04 . . . . . . . 30 CYS N . 50574 1 222 . 1 . 1 31 31 ARG H H 1 8.212 0.01 . . . . . . . 31 ARG H . 50574 1 223 . 1 . 1 31 31 ARG HA H 1 4.410 0.00 . . . . . . . 31 ARG HA . 50574 1 224 . 1 . 1 31 31 ARG HB2 H 1 1.794 0.00 . . . . . . . 31 ARG QB . 50574 1 225 . 1 . 1 31 31 ARG HB3 H 1 1.794 0.00 . . . . . . . 31 ARG QB . 50574 1 226 . 1 . 1 31 31 ARG CA C 13 55.797 0.05 . . . . . . . 31 ARG CA . 50574 1 227 . 1 . 1 31 31 ARG CB C 13 32.370 0.16 . . . . . . . 31 ARG CB . 50574 1 228 . 1 . 1 31 31 ARG CG C 13 27.742 0.00 . . . . . . . 31 ARG CG . 50574 1 229 . 1 . 1 31 31 ARG CD C 13 44.350 0.00 . . . . . . . 31 ARG CD . 50574 1 230 . 1 . 1 31 31 ARG N N 15 120.015 0.02 . . . . . . . 31 ARG N . 50574 1 231 . 1 . 1 32 32 SER H H 1 8.453 0.00 . . . . . . . 32 SER H . 50574 1 232 . 1 . 1 32 32 SER HA H 1 4.218 0.00 . . . . . . . 32 SER HA . 50574 1 233 . 1 . 1 32 32 SER HB2 H 1 4.029 0.00 . . . . . . . 32 SER QB . 50574 1 234 . 1 . 1 32 32 SER HB3 H 1 4.029 0.00 . . . . . . . 32 SER QB . 50574 1 235 . 1 . 1 32 32 SER CA C 13 58.207 0.07 . . . . . . . 32 SER CA . 50574 1 236 . 1 . 1 32 32 SER CB C 13 64.479 0.06 . . . . . . . 32 SER CB . 50574 1 237 . 1 . 1 32 32 SER N N 15 115.269 0.03 . . . . . . . 32 SER N . 50574 1 238 . 1 . 1 33 33 PHE H H 1 8.754 0.01 . . . . . . . 33 PHE H . 50574 1 239 . 1 . 1 33 33 PHE HA H 1 4.334 0.00 . . . . . . . 33 PHE HA . 50574 1 240 . 1 . 1 33 33 PHE HB2 H 1 3.104 0.00 . . . . . . . 33 PHE HB2 . 50574 1 241 . 1 . 1 33 33 PHE HB3 H 1 2.772 0.00 . . . . . . . 33 PHE HB3 . 50574 1 242 . 1 . 1 33 33 PHE CA C 13 60.410 0.06 . . . . . . . 33 PHE CA . 50574 1 243 . 1 . 1 33 33 PHE CB C 13 38.916 0.04 . . . . . . . 33 PHE CB . 50574 1 244 . 1 . 1 33 33 PHE N N 15 122.552 0.04 . . . . . . . 33 PHE N . 50574 1 245 . 1 . 1 34 34 PHE H H 1 7.689 0.01 . . . . . . . 34 PHE H . 50574 1 246 . 1 . 1 34 34 PHE HA H 1 3.936 0.00 . . . . . . . 34 PHE HA . 50574 1 247 . 1 . 1 34 34 PHE HB2 H 1 2.921 0.00 . . . . . . . 34 PHE QB . 50574 1 248 . 1 . 1 34 34 PHE HB3 H 1 2.921 0.00 . . . . . . . 34 PHE QB . 50574 1 249 . 1 . 1 34 34 PHE CA C 13 60.464 0.03 . . . . . . . 34 PHE CA . 50574 1 250 . 1 . 1 34 34 PHE CB C 13 38.800 0.12 . . . . . . . 34 PHE CB . 50574 1 251 . 1 . 1 34 34 PHE N N 15 117.428 0.02 . . . . . . . 34 PHE N . 50574 1 252 . 1 . 1 35 35 ALA H H 1 7.528 0.00 . . . . . . . 35 ALA H . 50574 1 253 . 1 . 1 35 35 ALA HA H 1 4.018 0.00 . . . . . . . 35 ALA HA . 50574 1 254 . 1 . 1 35 35 ALA HB1 H 1 1.390 0.00 . . . . . . . 35 ALA MB . 50574 1 255 . 1 . 1 35 35 ALA HB2 H 1 1.390 0.00 . . . . . . . 35 ALA MB . 50574 1 256 . 1 . 1 35 35 ALA HB3 H 1 1.390 0.00 . . . . . . . 35 ALA MB . 50574 1 257 . 1 . 1 35 35 ALA CA C 13 54.745 0.06 . . . . . . . 35 ALA CA . 50574 1 258 . 1 . 1 35 35 ALA CB C 13 18.367 0.05 . . . . . . . 35 ALA CB . 50574 1 259 . 1 . 1 35 35 ALA N N 15 123.670 0.04 . . . . . . . 35 ALA N . 50574 1 260 . 1 . 1 36 36 PHE H H 1 8.432 0.00 . . . . . . . 36 PHE H . 50574 1 261 . 1 . 1 36 36 PHE HA H 1 3.752 0.00 . . . . . . . 36 PHE HA . 50574 1 262 . 1 . 1 36 36 PHE HB2 H 1 2.801 0.00 . . . . . . . 36 PHE HB2 . 50574 1 263 . 1 . 1 36 36 PHE HB3 H 1 2.595 0.00 . . . . . . . 36 PHE HB3 . 50574 1 264 . 1 . 1 36 36 PHE CA C 13 61.578 0.07 . . . . . . . 36 PHE CA . 50574 1 265 . 1 . 1 36 36 PHE CB C 13 39.390 0.06 . . . . . . . 36 PHE CB . 50574 1 266 . 1 . 1 36 36 PHE N N 15 119.396 0.05 . . . . . . . 36 PHE N . 50574 1 267 . 1 . 1 37 37 ASN H H 1 8.526 0.00 . . . . . . . 37 ASN H . 50574 1 268 . 1 . 1 37 37 ASN HA H 1 4.142 0.00 . . . . . . . 37 ASN HA . 50574 1 269 . 1 . 1 37 37 ASN HB2 H 1 2.424 0.00 . . . . . . . 37 ASN HB2 . 50574 1 270 . 1 . 1 37 37 ASN HB3 H 1 2.227 0.00 . . . . . . . 37 ASN HB3 . 50574 1 271 . 1 . 1 37 37 ASN CA C 13 55.024 0.10 . . . . . . . 37 ASN CA . 50574 1 272 . 1 . 1 37 37 ASN CB C 13 38.016 0.05 . . . . . . . 37 ASN CB . 50574 1 273 . 1 . 1 37 37 ASN N N 15 118.907 0.07 . . . . . . . 37 ASN N . 50574 1 274 . 1 . 1 38 38 ALA H H 1 7.166 0.00 . . . . . . . 38 ALA H . 50574 1 275 . 1 . 1 38 38 ALA HA H 1 4.031 0.00 . . . . . . . 38 ALA HA . 50574 1 276 . 1 . 1 38 38 ALA HB1 H 1 1.280 0.00 . . . . . . . 38 ALA MB . 50574 1 277 . 1 . 1 38 38 ALA HB2 H 1 1.280 0.00 . . . . . . . 38 ALA MB . 50574 1 278 . 1 . 1 38 38 ALA HB3 H 1 1.280 0.00 . . . . . . . 38 ALA MB . 50574 1 279 . 1 . 1 38 38 ALA CA C 13 53.287 0.11 . . . . . . . 38 ALA CA . 50574 1 280 . 1 . 1 38 38 ALA CB C 13 18.253 0.05 . . . . . . . 38 ALA CB . 50574 1 281 . 1 . 1 38 38 ALA N N 15 121.334 0.03 . . . . . . . 38 ALA N . 50574 1 282 . 1 . 1 39 39 GLY H H 1 6.850 0.00 . . . . . . . 39 GLY H . 50574 1 283 . 1 . 1 39 39 GLY HA2 H 1 3.835 0.00 . . . . . . . 39 GLY HA2 . 50574 1 284 . 1 . 1 39 39 GLY HA3 H 1 3.459 0.00 . . . . . . . 39 GLY HA3 . 50574 1 285 . 1 . 1 39 39 GLY CA C 13 46.097 0.02 . . . . . . . 39 GLY CA . 50574 1 286 . 1 . 1 39 39 GLY N N 15 107.019 0.02 . . . . . . . 39 GLY N . 50574 1 287 . 1 . 1 40 40 HIS H H 1 7.992 0.00 . . . . . . . 40 HIS H . 50574 1 288 . 1 . 1 40 40 HIS HA H 1 4.268 0.00 . . . . . . . 40 HIS HA . 50574 1 289 . 1 . 1 40 40 HIS HB2 H 1 2.844 0.00 . . . . . . . 40 HIS HB2 . 50574 1 290 . 1 . 1 40 40 HIS HB3 H 1 2.124 0.00 . . . . . . . 40 HIS HB3 . 50574 1 291 . 1 . 1 40 40 HIS CA C 13 54.417 0.09 . . . . . . . 40 HIS CA . 50574 1 292 . 1 . 1 40 40 HIS CB C 13 30.903 0.09 . . . . . . . 40 HIS CB . 50574 1 293 . 1 . 1 40 40 HIS N N 15 119.350 0.04 . . . . . . . 40 HIS N . 50574 1 294 . 1 . 1 41 41 ILE H H 1 9.919 0.00 . . . . . . . 41 ILE H . 50574 1 295 . 1 . 1 41 41 ILE HA H 1 4.167 0.00 . . . . . . . 41 ILE HA . 50574 1 296 . 1 . 1 41 41 ILE HB H 1 1.307 0.00 . . . . . . . 41 ILE HB . 50574 1 297 . 1 . 1 41 41 ILE CA C 13 63.277 0.03 . . . . . . . 41 ILE CA . 50574 1 298 . 1 . 1 41 41 ILE CB C 13 37.866 0.04 . . . . . . . 41 ILE CB . 50574 1 299 . 1 . 1 41 41 ILE CG1 C 13 27.883 0.00 . . . . . . . 41 ILE CG1 . 50574 1 300 . 1 . 1 41 41 ILE CG2 C 13 16.764 0.00 . . . . . . . 41 ILE CG2 . 50574 1 301 . 1 . 1 41 41 ILE CD1 C 13 14.263 0.00 . . . . . . . 41 ILE CD1 . 50574 1 302 . 1 . 1 41 41 ILE N N 15 122.378 0.04 . . . . . . . 41 ILE N . 50574 1 303 . 1 . 1 42 42 ALA H H 1 9.065 0.00 . . . . . . . 42 ALA H . 50574 1 304 . 1 . 1 42 42 ALA HA H 1 4.138 0.00 . . . . . . . 42 ALA HA . 50574 1 305 . 1 . 1 42 42 ALA HB1 H 1 1.293 0.00 . . . . . . . 42 ALA MB . 50574 1 306 . 1 . 1 42 42 ALA HB2 H 1 1.293 0.00 . . . . . . . 42 ALA MB . 50574 1 307 . 1 . 1 42 42 ALA HB3 H 1 1.293 0.00 . . . . . . . 42 ALA MB . 50574 1 308 . 1 . 1 42 42 ALA CA C 13 54.727 0.08 . . . . . . . 42 ALA CA . 50574 1 309 . 1 . 1 42 42 ALA CB C 13 17.918 0.06 . . . . . . . 42 ALA CB . 50574 1 310 . 1 . 1 42 42 ALA N N 15 136.001 0.04 . . . . . . . 42 ALA N . 50574 1 311 . 1 . 1 43 43 GLY H H 1 8.778 0.01 . . . . . . . 43 GLY H . 50574 1 312 . 1 . 1 43 43 GLY HA2 H 1 4.247 0.00 . . . . . . . 43 GLY HA2 . 50574 1 313 . 1 . 1 43 43 GLY HA3 H 1 3.723 0.00 . . . . . . . 43 GLY HA3 . 50574 1 314 . 1 . 1 43 43 GLY CA C 13 45.336 0.05 . . . . . . . 43 GLY CA . 50574 1 315 . 1 . 1 43 43 GLY N N 15 110.386 0.06 . . . . . . . 43 GLY N . 50574 1 316 . 1 . 1 44 44 SER H H 1 8.102 0.00 . . . . . . . 44 SER H . 50574 1 317 . 1 . 1 44 44 SER HA H 1 4.751 0.00 . . . . . . . 44 SER HA . 50574 1 318 . 1 . 1 44 44 SER HB2 H 1 3.779 0.00 . . . . . . . 44 SER QB . 50574 1 319 . 1 . 1 44 44 SER HB3 H 1 3.779 0.00 . . . . . . . 44 SER QB . 50574 1 320 . 1 . 1 44 44 SER CA C 13 58.463 0.06 . . . . . . . 44 SER CA . 50574 1 321 . 1 . 1 44 44 SER CB C 13 66.099 0.06 . . . . . . . 44 SER CB . 50574 1 322 . 1 . 1 44 44 SER N N 15 114.865 0.08 . . . . . . . 44 SER N . 50574 1 323 . 1 . 1 45 45 VAL H H 1 8.675 0.00 . . . . . . . 45 VAL H . 50574 1 324 . 1 . 1 45 45 VAL HA H 1 4.148 0.00 . . . . . . . 45 VAL HA . 50574 1 325 . 1 . 1 45 45 VAL HB H 1 1.848 0.00 . . . . . . . 45 VAL HB . 50574 1 326 . 1 . 1 45 45 VAL CA C 13 60.598 0.03 . . . . . . . 45 VAL CA . 50574 1 327 . 1 . 1 45 45 VAL CB C 13 34.752 0.04 . . . . . . . 45 VAL CB . 50574 1 328 . 1 . 1 45 45 VAL CG1 C 13 22.095 0.00 . . . . . . . 45 VAL CG1 . 50574 1 329 . 1 . 1 45 45 VAL CG2 C 13 20.842 0.00 . . . . . . . 45 VAL CG2 . 50574 1 330 . 1 . 1 45 45 VAL N N 15 118.601 0.01 . . . . . . . 45 VAL N . 50574 1 331 . 1 . 1 46 46 ASN H H 1 8.180 0.00 . . . . . . . 46 ASN H . 50574 1 332 . 1 . 1 46 46 ASN HA H 1 4.765 0.00 . . . . . . . 46 ASN HA . 50574 1 333 . 1 . 1 46 46 ASN HB2 H 1 1.705 0.00 . . . . . . . 46 ASN QB . 50574 1 334 . 1 . 1 46 46 ASN HB3 H 1 1.705 0.00 . . . . . . . 46 ASN QB . 50574 1 335 . 1 . 1 46 46 ASN CA C 13 51.603 0.02 . . . . . . . 46 ASN CA . 50574 1 336 . 1 . 1 46 46 ASN CB C 13 39.272 0.04 . . . . . . . 46 ASN CB . 50574 1 337 . 1 . 1 46 46 ASN N N 15 125.116 0.03 . . . . . . . 46 ASN N . 50574 1 338 . 1 . 1 47 47 VAL H H 1 8.083 0.00 . . . . . . . 47 VAL H . 50574 1 339 . 1 . 1 47 47 VAL HA H 1 3.859 0.00 . . . . . . . 47 VAL HA . 50574 1 340 . 1 . 1 47 47 VAL HB H 1 1.848 0.00 . . . . . . . 47 VAL HB . 50574 1 341 . 1 . 1 47 47 VAL CA C 13 62.144 0.11 . . . . . . . 47 VAL CA . 50574 1 342 . 1 . 1 47 47 VAL CB C 13 32.468 0.04 . . . . . . . 47 VAL CB . 50574 1 343 . 1 . 1 47 47 VAL CG1 C 13 23.504 0.00 . . . . . . . 47 VAL CG1 . 50574 1 344 . 1 . 1 47 47 VAL CG2 C 13 22.340 0.00 . . . . . . . 47 VAL CG2 . 50574 1 345 . 1 . 1 47 47 VAL N N 15 128.186 0.04 . . . . . . . 47 VAL N . 50574 1 346 . 1 . 1 48 48 ARG H H 1 8.122 0.01 . . . . . . . 48 ARG H . 50574 1 347 . 1 . 1 48 48 ARG HA H 1 4.222 0.00 . . . . . . . 48 ARG HA . 50574 1 348 . 1 . 1 48 48 ARG HB2 H 1 1.553 0.00 . . . . . . . 48 ARG QB . 50574 1 349 . 1 . 1 48 48 ARG HB3 H 1 1.553 0.00 . . . . . . . 48 ARG QB . 50574 1 350 . 1 . 1 48 48 ARG CA C 13 54.822 0.04 . . . . . . . 48 ARG CA . 50574 1 351 . 1 . 1 48 48 ARG CB C 13 32.314 0.08 . . . . . . . 48 ARG CB . 50574 1 352 . 1 . 1 48 48 ARG CG C 13 25.967 0.00 . . . . . . . 48 ARG CG . 50574 1 353 . 1 . 1 48 48 ARG CD C 13 43.466 0.00 . . . . . . . 48 ARG CD . 50574 1 354 . 1 . 1 48 48 ARG N N 15 124.522 0.02 . . . . . . . 48 ARG N . 50574 1 355 . 1 . 1 49 49 PHE H H 1 8.115 0.00 . . . . . . . 49 PHE H . 50574 1 356 . 1 . 1 49 49 PHE HA H 1 4.854 0.00 . . . . . . . 49 PHE HA . 50574 1 357 . 1 . 1 49 49 PHE HB2 H 1 3.140 0.00 . . . . . . . 49 PHE HB2 . 50574 1 358 . 1 . 1 49 49 PHE HB3 H 1 2.845 0.00 . . . . . . . 49 PHE HB3 . 50574 1 359 . 1 . 1 49 49 PHE CA C 13 55.543 0.06 . . . . . . . 49 PHE CA . 50574 1 360 . 1 . 1 49 49 PHE CB C 13 40.114 0.02 . . . . . . . 49 PHE CB . 50574 1 361 . 1 . 1 49 49 PHE N N 15 120.689 0.06 . . . . . . . 49 PHE N . 50574 1 362 . 1 . 1 50 50 SER H H 1 8.600 0.01 . . . . . . . 50 SER H . 50574 1 363 . 1 . 1 50 50 SER HA H 1 4.445 0.00 . . . . . . . 50 SER HA . 50574 1 364 . 1 . 1 50 50 SER HB2 H 1 3.775 0.00 . . . . . . . 50 SER QB . 50574 1 365 . 1 . 1 50 50 SER HB3 H 1 3.775 0.00 . . . . . . . 50 SER QB . 50574 1 366 . 1 . 1 50 50 SER CA C 13 58.096 0.12 . . . . . . . 50 SER CA . 50574 1 367 . 1 . 1 50 50 SER CB C 13 63.865 0.05 . . . . . . . 50 SER CB . 50574 1 368 . 1 . 1 50 50 SER N N 15 117.719 0.05 . . . . . . . 50 SER N . 50574 1 369 . 1 . 1 51 51 THR H H 1 8.190 0.01 . . . . . . . 51 THR H . 50574 1 370 . 1 . 1 51 51 THR HA H 1 4.146 0.00 . . . . . . . 51 THR HA . 50574 1 371 . 1 . 1 51 51 THR HB H 1 3.972 0.00 . . . . . . . 51 THR HB . 50574 1 372 . 1 . 1 51 51 THR CA C 13 63.174 2.41 . . . . . . . 51 THR CA . 50574 1 373 . 1 . 1 51 51 THR CB C 13 69.000 0.45 . . . . . . . 51 THR CB . 50574 1 374 . 1 . 1 51 51 THR CG2 C 13 22.118 0.00 . . . . . . . 51 THR CG2 . 50574 1 375 . 1 . 1 51 51 THR N N 15 118.182 0.03 . . . . . . . 51 THR N . 50574 1 376 . 1 . 1 52 52 ILE H H 1 7.760 0.00 . . . . . . . 52 ILE H . 50574 1 377 . 1 . 1 52 52 ILE HA H 1 3.821 0.00 . . . . . . . 52 ILE HA . 50574 1 378 . 1 . 1 52 52 ILE HB H 1 1.703 0.00 . . . . . . . 52 ILE HB . 50574 1 379 . 1 . 1 52 52 ILE CA C 13 63.282 0.05 . . . . . . . 52 ILE CA . 50574 1 380 . 1 . 1 52 52 ILE CB C 13 38.161 0.01 . . . . . . . 52 ILE CB . 50574 1 381 . 1 . 1 52 52 ILE CG1 C 13 28.464 0.00 . . . . . . . 52 ILE CG1 . 50574 1 382 . 1 . 1 52 52 ILE CG2 C 13 17.437 0.00 . . . . . . . 52 ILE CG2 . 50574 1 383 . 1 . 1 52 52 ILE CD1 C 13 13.255 0.00 . . . . . . . 52 ILE CD1 . 50574 1 384 . 1 . 1 52 52 ILE N N 15 120.725 0.02 . . . . . . . 52 ILE N . 50574 1 385 . 1 . 1 53 53 VAL H H 1 7.426 0.00 . . . . . . . 53 VAL H . 50574 1 386 . 1 . 1 53 53 VAL HA H 1 3.523 0.00 . . . . . . . 53 VAL HA . 50574 1 387 . 1 . 1 53 53 VAL HB H 1 1.914 0.00 . . . . . . . 53 VAL HB . 50574 1 388 . 1 . 1 53 53 VAL CA C 13 64.825 0.02 . . . . . . . 53 VAL CA . 50574 1 389 . 1 . 1 53 53 VAL CB C 13 31.679 0.03 . . . . . . . 53 VAL CB . 50574 1 390 . 1 . 1 53 53 VAL CG1 C 13 22.146 0.00 . . . . . . . 53 VAL CG1 . 50574 1 391 . 1 . 1 53 53 VAL CG2 C 13 21.353 0.00 . . . . . . . 53 VAL CG2 . 50574 1 392 . 1 . 1 53 53 VAL N N 15 121.982 0.02 . . . . . . . 53 VAL N . 50574 1 393 . 1 . 1 54 54 ARG H H 1 7.997 0.00 . . . . . . . 54 ARG H . 50574 1 394 . 1 . 1 54 54 ARG HA H 1 3.788 0.00 . . . . . . . 54 ARG HA . 50574 1 395 . 1 . 1 54 54 ARG HB2 H 1 1.811 0.00 . . . . . . . 54 ARG HB2 . 50574 1 396 . 1 . 1 54 54 ARG HB3 H 1 1.716 0.00 . . . . . . . 54 ARG HB3 . 50574 1 397 . 1 . 1 54 54 ARG CA C 13 58.196 0.03 . . . . . . . 54 ARG CA . 50574 1 398 . 1 . 1 54 54 ARG CB C 13 30.379 0.08 . . . . . . . 54 ARG CB . 50574 1 399 . 1 . 1 54 54 ARG CG C 13 27.788 0.00 . . . . . . . 54 ARG CG . 50574 1 400 . 1 . 1 54 54 ARG CD C 13 43.421 0.00 . . . . . . . 54 ARG CD . 50574 1 401 . 1 . 1 54 54 ARG N N 15 120.854 0.05 . . . . . . . 54 ARG N . 50574 1 402 . 1 . 1 55 55 ARG H H 1 8.044 0.00 . . . . . . . 55 ARG H . 50574 1 403 . 1 . 1 55 55 ARG HA H 1 4.040 0.00 . . . . . . . 55 ARG HA . 50574 1 404 . 1 . 1 55 55 ARG HB2 H 1 1.763 0.00 . . . . . . . 55 ARG QB . 50574 1 405 . 1 . 1 55 55 ARG HB3 H 1 1.763 0.00 . . . . . . . 55 ARG QB . 50574 1 406 . 1 . 1 55 55 ARG CA C 13 57.779 0.14 . . . . . . . 55 ARG CA . 50574 1 407 . 1 . 1 55 55 ARG CB C 13 30.327 0.02 . . . . . . . 55 ARG CB . 50574 1 408 . 1 . 1 55 55 ARG CG C 13 27.351 0.00 . . . . . . . 55 ARG CG . 50574 1 409 . 1 . 1 55 55 ARG CD C 13 43.587 0.00 . . . . . . . 55 ARG CD . 50574 1 410 . 1 . 1 55 55 ARG N N 15 119.026 0.03 . . . . . . . 55 ARG N . 50574 1 411 . 1 . 1 56 56 ARG H H 1 7.926 0.00 . . . . . . . 56 ARG H . 50574 1 412 . 1 . 1 56 56 ARG HA H 1 4.078 0.00 . . . . . . . 56 ARG HA . 50574 1 413 . 1 . 1 56 56 ARG HB2 H 1 1.712 0.00 . . . . . . . 56 ARG QB . 50574 1 414 . 1 . 1 56 56 ARG HB3 H 1 1.712 0.00 . . . . . . . 56 ARG QB . 50574 1 415 . 1 . 1 56 56 ARG CA C 13 57.132 0.10 . . . . . . . 56 ARG CA . 50574 1 416 . 1 . 1 56 56 ARG CB C 13 30.493 0.03 . . . . . . . 56 ARG CB . 50574 1 417 . 1 . 1 56 56 ARG CG C 13 27.512 0.00 . . . . . . . 56 ARG CG . 50574 1 418 . 1 . 1 56 56 ARG CD C 13 43.497 0.00 . . . . . . . 56 ARG CD . 50574 1 419 . 1 . 1 56 56 ARG N N 15 119.428 0.02 . . . . . . . 56 ARG N . 50574 1 420 . 1 . 1 57 57 ALA H H 1 7.749 0.00 . . . . . . . 57 ALA H . 50574 1 421 . 1 . 1 57 57 ALA HA H 1 4.083 0.00 . . . . . . . 57 ALA HA . 50574 1 422 . 1 . 1 57 57 ALA HB1 H 1 1.199 0.00 . . . . . . . 57 ALA MB . 50574 1 423 . 1 . 1 57 57 ALA HB2 H 1 1.199 0.00 . . . . . . . 57 ALA MB . 50574 1 424 . 1 . 1 57 57 ALA HB3 H 1 1.199 0.00 . . . . . . . 57 ALA MB . 50574 1 425 . 1 . 1 57 57 ALA CA C 13 52.981 0.07 . . . . . . . 57 ALA CA . 50574 1 426 . 1 . 1 57 57 ALA CB C 13 18.787 0.03 . . . . . . . 57 ALA CB . 50574 1 427 . 1 . 1 57 57 ALA N N 15 122.102 0.02 . . . . . . . 57 ALA N . 50574 1 428 . 1 . 1 58 58 LYS H H 1 7.933 0.00 . . . . . . . 58 LYS H . 50574 1 429 . 1 . 1 58 58 LYS HA H 1 3.988 0.00 . . . . . . . 58 LYS HA . 50574 1 430 . 1 . 1 58 58 LYS HB2 H 1 1.730 0.00 . . . . . . . 58 LYS QB . 50574 1 431 . 1 . 1 58 58 LYS HB3 H 1 1.730 0.00 . . . . . . . 58 LYS QB . 50574 1 432 . 1 . 1 58 58 LYS CA C 13 56.771 0.07 . . . . . . . 58 LYS CA . 50574 1 433 . 1 . 1 58 58 LYS CB C 13 31.692 0.13 . . . . . . . 58 LYS CB . 50574 1 434 . 1 . 1 58 58 LYS CG C 13 24.851 0.00 . . . . . . . 58 LYS CG . 50574 1 435 . 1 . 1 58 58 LYS CD C 13 29.273 0.00 . . . . . . . 58 LYS CD . 50574 1 436 . 1 . 1 58 58 LYS CE C 13 42.184 0.00 . . . . . . . 58 LYS CE . 50574 1 437 . 1 . 1 58 58 LYS N N 15 117.687 0.02 . . . . . . . 58 LYS N . 50574 1 438 . 1 . 1 59 59 GLY H H 1 8.323 0.00 . . . . . . . 59 GLY H . 50574 1 439 . 1 . 1 59 59 GLY HA2 H 1 3.930 0.00 . . . . . . . 59 GLY HA2 . 50574 1 440 . 1 . 1 59 59 GLY HA3 H 1 3.616 0.00 . . . . . . . 59 GLY HA3 . 50574 1 441 . 1 . 1 59 59 GLY CA C 13 45.215 0.05 . . . . . . . 59 GLY CA . 50574 1 442 . 1 . 1 59 59 GLY N N 15 107.632 0.03 . . . . . . . 59 GLY N . 50574 1 443 . 1 . 1 60 60 ALA H H 1 7.744 0.00 . . . . . . . 60 ALA H . 50574 1 444 . 1 . 1 60 60 ALA HA H 1 4.236 0.00 . . . . . . . 60 ALA HA . 50574 1 445 . 1 . 1 60 60 ALA HB1 H 1 1.145 0.00 . . . . . . . 60 ALA MB . 50574 1 446 . 1 . 1 60 60 ALA HB2 H 1 1.145 0.00 . . . . . . . 60 ALA MB . 50574 1 447 . 1 . 1 60 60 ALA HB3 H 1 1.145 0.00 . . . . . . . 60 ALA MB . 50574 1 448 . 1 . 1 60 60 ALA CA C 13 51.482 0.09 . . . . . . . 60 ALA CA . 50574 1 449 . 1 . 1 60 60 ALA CB C 13 18.946 0.06 . . . . . . . 60 ALA CB . 50574 1 450 . 1 . 1 60 60 ALA N N 15 124.028 0.04 . . . . . . . 60 ALA N . 50574 1 451 . 1 . 1 61 61 MET H H 1 8.136 0.00 . . . . . . . 61 MET H . 50574 1 452 . 1 . 1 61 61 MET HA H 1 4.246 0.00 . . . . . . . 61 MET HA . 50574 1 453 . 1 . 1 61 61 MET HB2 H 1 1.618 0.00 . . . . . . . 61 MET QB . 50574 1 454 . 1 . 1 61 61 MET HB3 H 1 1.618 0.00 . . . . . . . 61 MET QB . 50574 1 455 . 1 . 1 61 61 MET CA C 13 54.881 0.03 . . . . . . . 61 MET CA . 50574 1 456 . 1 . 1 61 61 MET CB C 13 33.329 0.01 . . . . . . . 61 MET CB . 50574 1 457 . 1 . 1 61 61 MET CG C 13 32.201 0.00 . . . . . . . 61 MET CG . 50574 1 458 . 1 . 1 61 61 MET CE C 13 17.336 0.00 . . . . . . . 61 MET CE . 50574 1 459 . 1 . 1 61 61 MET N N 15 120.942 0.02 . . . . . . . 61 MET N . 50574 1 460 . 1 . 1 62 62 GLY H H 1 9.575 0.01 . . . . . . . 62 GLY H . 50574 1 461 . 1 . 1 62 62 GLY HA2 H 1 4.295 0.00 . . . . . . . 62 GLY HA2 . 50574 1 462 . 1 . 1 62 62 GLY HA3 H 1 3.784 0.00 . . . . . . . 62 GLY HA3 . 50574 1 463 . 1 . 1 62 62 GLY CA C 13 44.398 0.03 . . . . . . . 62 GLY CA . 50574 1 464 . 1 . 1 62 62 GLY N N 15 113.126 0.02 . . . . . . . 62 GLY N . 50574 1 465 . 1 . 1 63 63 LEU H H 1 9.042 0.00 . . . . . . . 63 LEU H . 50574 1 466 . 1 . 1 63 63 LEU HA H 1 3.672 0.00 . . . . . . . 63 LEU HA . 50574 1 467 . 1 . 1 63 63 LEU HB2 H 1 1.461 0.00 . . . . . . . 63 LEU QB . 50574 1 468 . 1 . 1 63 63 LEU HB3 H 1 1.461 0.00 . . . . . . . 63 LEU QB . 50574 1 469 . 1 . 1 63 63 LEU CA C 13 57.581 0.08 . . . . . . . 63 LEU CA . 50574 1 470 . 1 . 1 63 63 LEU CB C 13 41.889 0.03 . . . . . . . 63 LEU CB . 50574 1 471 . 1 . 1 63 63 LEU CG C 13 26.534 0.00 . . . . . . . 63 LEU CG . 50574 1 472 . 1 . 1 63 63 LEU CD1 C 13 24.958 0.00 . . . . . . . 63 LEU CD1 . 50574 1 473 . 1 . 1 63 63 LEU N N 15 122.377 0.03 . . . . . . . 63 LEU N . 50574 1 474 . 1 . 1 64 64 GLU H H 1 9.762 0.00 . . . . . . . 64 GLU H . 50574 1 475 . 1 . 1 64 64 GLU HA H 1 3.651 0.00 . . . . . . . 64 GLU HA . 50574 1 476 . 1 . 1 64 64 GLU HB2 H 1 1.602 0.00 . . . . . . . 64 GLU QB . 50574 1 477 . 1 . 1 64 64 GLU HB3 H 1 1.602 0.00 . . . . . . . 64 GLU QB . 50574 1 478 . 1 . 1 64 64 GLU CA C 13 58.532 0.05 . . . . . . . 64 GLU CA . 50574 1 479 . 1 . 1 64 64 GLU CB C 13 27.300 0.01 . . . . . . . 64 GLU CB . 50574 1 480 . 1 . 1 64 64 GLU CG C 13 34.750 0.00 . . . . . . . 64 GLU CG . 50574 1 481 . 1 . 1 64 64 GLU N N 15 117.706 0.03 . . . . . . . 64 GLU N . 50574 1 482 . 1 . 1 65 65 HIS H H 1 7.206 0.00 . . . . . . . 65 HIS H . 50574 1 483 . 1 . 1 65 65 HIS HA H 1 4.425 0.00 . . . . . . . 65 HIS HA . 50574 1 484 . 1 . 1 65 65 HIS HB2 H 1 2.956 0.00 . . . . . . . 65 HIS HB2 . 50574 1 485 . 1 . 1 65 65 HIS HB3 H 1 2.856 0.00 . . . . . . . 65 HIS HB3 . 50574 1 486 . 1 . 1 65 65 HIS CA C 13 57.864 0.10 . . . . . . . 65 HIS CA . 50574 1 487 . 1 . 1 65 65 HIS CB C 13 32.072 0.05 . . . . . . . 65 HIS CB . 50574 1 488 . 1 . 1 65 65 HIS N N 15 117.113 0.01 . . . . . . . 65 HIS N . 50574 1 489 . 1 . 1 66 66 ILE H H 1 7.150 0.00 . . . . . . . 66 ILE H . 50574 1 490 . 1 . 1 66 66 ILE HA H 1 3.883 0.00 . . . . . . . 66 ILE HA . 50574 1 491 . 1 . 1 66 66 ILE HB H 1 1.873 0.00 . . . . . . . 66 ILE HB . 50574 1 492 . 1 . 1 66 66 ILE CA C 13 61.170 0.03 . . . . . . . 66 ILE CA . 50574 1 493 . 1 . 1 66 66 ILE CB C 13 37.749 0.04 . . . . . . . 66 ILE CB . 50574 1 494 . 1 . 1 66 66 ILE CG1 C 13 28.164 0.00 . . . . . . . 66 ILE CG1 . 50574 1 495 . 1 . 1 66 66 ILE CG2 C 13 18.206 0.00 . . . . . . . 66 ILE CG2 . 50574 1 496 . 1 . 1 66 66 ILE CD1 C 13 11.416 0.00 . . . . . . . 66 ILE CD1 . 50574 1 497 . 1 . 1 66 66 ILE N N 15 117.144 0.04 . . . . . . . 66 ILE N . 50574 1 498 . 1 . 1 67 67 VAL H H 1 8.063 0.01 . . . . . . . 67 VAL H . 50574 1 499 . 1 . 1 67 67 VAL CA C 13 58.652 0.06 . . . . . . . 67 VAL CA . 50574 1 500 . 1 . 1 67 67 VAL CB C 13 32.291 0.00 . . . . . . . 67 VAL CB . 50574 1 501 . 1 . 1 67 67 VAL N N 15 116.048 0.07 . . . . . . . 67 VAL N . 50574 1 502 . 1 . 1 68 68 PRO HA H 1 4.351 0.00 . . . . . . . 68 PRO HA . 50574 1 503 . 1 . 1 68 68 PRO HB2 H 1 2.261 0.00 . . . . . . . 68 PRO HB2 . 50574 1 504 . 1 . 1 68 68 PRO HB3 H 1 1.917 0.00 . . . . . . . 68 PRO HB3 . 50574 1 505 . 1 . 1 68 68 PRO CA C 13 64.275 0.11 . . . . . . . 68 PRO CA . 50574 1 506 . 1 . 1 68 68 PRO CB C 13 32.144 0.08 . . . . . . . 68 PRO CB . 50574 1 507 . 1 . 1 68 68 PRO CG C 13 27.234 0.00 . . . . . . . 68 PRO CG . 50574 1 508 . 1 . 1 68 68 PRO CD C 13 51.122 0.00 . . . . . . . 68 PRO CD . 50574 1 509 . 1 . 1 69 69 ASN H H 1 7.518 0.00 . . . . . . . 69 ASN H . 50574 1 510 . 1 . 1 69 69 ASN HA H 1 4.450 0.00 . . . . . . . 69 ASN HA . 50574 1 511 . 1 . 1 69 69 ASN HB2 H 1 2.737 0.00 . . . . . . . 69 ASN HB2 . 50574 1 512 . 1 . 1 69 69 ASN HB3 H 1 2.609 0.00 . . . . . . . 69 ASN HB3 . 50574 1 513 . 1 . 1 69 69 ASN CA C 13 54.119 0.05 . . . . . . . 69 ASN CA . 50574 1 514 . 1 . 1 69 69 ASN CB C 13 39.422 0.04 . . . . . . . 69 ASN CB . 50574 1 515 . 1 . 1 69 69 ASN N N 15 117.640 0.02 . . . . . . . 69 ASN N . 50574 1 516 . 1 . 1 70 70 ALA H H 1 8.904 0.00 . . . . . . . 70 ALA H . 50574 1 517 . 1 . 1 70 70 ALA HA H 1 3.757 0.00 . . . . . . . 70 ALA HA . 50574 1 518 . 1 . 1 70 70 ALA HB1 H 1 1.405 0.00 . . . . . . . 70 ALA MB . 50574 1 519 . 1 . 1 70 70 ALA HB2 H 1 1.405 0.00 . . . . . . . 70 ALA MB . 50574 1 520 . 1 . 1 70 70 ALA HB3 H 1 1.405 0.00 . . . . . . . 70 ALA MB . 50574 1 521 . 1 . 1 70 70 ALA CA C 13 55.515 0.08 . . . . . . . 70 ALA CA . 50574 1 522 . 1 . 1 70 70 ALA CB C 13 18.629 0.09 . . . . . . . 70 ALA CB . 50574 1 523 . 1 . 1 70 70 ALA N N 15 130.698 0.04 . . . . . . . 70 ALA N . 50574 1 524 . 1 . 1 71 71 GLU H H 1 8.185 0.01 . . . . . . . 71 GLU H . 50574 1 525 . 1 . 1 71 71 GLU HA H 1 4.030 0.00 . . . . . . . 71 GLU HA . 50574 1 526 . 1 . 1 71 71 GLU HB2 H 1 2.067 0.00 . . . . . . . 71 GLU QB . 50574 1 527 . 1 . 1 71 71 GLU HB3 H 1 2.067 0.00 . . . . . . . 71 GLU QB . 50574 1 528 . 1 . 1 71 71 GLU CA C 13 59.492 0.08 . . . . . . . 71 GLU CA . 50574 1 529 . 1 . 1 71 71 GLU CB C 13 29.013 0.03 . . . . . . . 71 GLU CB . 50574 1 530 . 1 . 1 71 71 GLU CG C 13 36.578 0.00 . . . . . . . 71 GLU CG . 50574 1 531 . 1 . 1 71 71 GLU N N 15 120.711 0.05 . . . . . . . 71 GLU N . 50574 1 532 . 1 . 1 72 72 LEU H H 1 7.857 0.00 . . . . . . . 72 LEU H . 50574 1 533 . 1 . 1 72 72 LEU HA H 1 4.245 0.00 . . . . . . . 72 LEU HA . 50574 1 534 . 1 . 1 72 72 LEU HB2 H 1 1.958 0.00 . . . . . . . 72 LEU QB . 50574 1 535 . 1 . 1 72 72 LEU HB3 H 1 1.958 0.00 . . . . . . . 72 LEU QB . 50574 1 536 . 1 . 1 72 72 LEU CA C 13 57.856 0.03 . . . . . . . 72 LEU CA . 50574 1 537 . 1 . 1 72 72 LEU CB C 13 41.704 0.00 . . . . . . . 72 LEU CB . 50574 1 538 . 1 . 1 72 72 LEU CG C 13 27.093 0.00 . . . . . . . 72 LEU CG . 50574 1 539 . 1 . 1 72 72 LEU CD1 C 13 24.803 0.00 . . . . . . . 72 LEU CD1 . 50574 1 540 . 1 . 1 72 72 LEU CD2 C 13 23.953 0.00 . . . . . . . 72 LEU CD2 . 50574 1 541 . 1 . 1 72 72 LEU N N 15 120.835 0.03 . . . . . . . 72 LEU N . 50574 1 542 . 1 . 1 73 73 ARG H H 1 8.444 0.00 . . . . . . . 73 ARG H . 50574 1 543 . 1 . 1 73 73 ARG HA H 1 3.632 0.00 . . . . . . . 73 ARG HA . 50574 1 544 . 1 . 1 73 73 ARG HB2 H 1 1.709 0.00 . . . . . . . 73 ARG HB2 . 50574 1 545 . 1 . 1 73 73 ARG HB3 H 1 1.361 0.00 . . . . . . . 73 ARG HB3 . 50574 1 546 . 1 . 1 73 73 ARG CA C 13 60.642 0.01 . . . . . . . 73 ARG CA . 50574 1 547 . 1 . 1 73 73 ARG CB C 13 30.260 0.08 . . . . . . . 73 ARG CB . 50574 1 548 . 1 . 1 73 73 ARG CG C 13 29.749 0.00 . . . . . . . 73 ARG CG . 50574 1 549 . 1 . 1 73 73 ARG CD C 13 42.817 0.00 . . . . . . . 73 ARG CD . 50574 1 550 . 1 . 1 73 73 ARG N N 15 119.252 0.03 . . . . . . . 73 ARG N . 50574 1 551 . 1 . 1 74 74 GLY H H 1 8.268 0.00 . . . . . . . 74 GLY H . 50574 1 552 . 1 . 1 74 74 GLY HA2 H 1 3.846 0.00 . . . . . . . 74 GLY HA2 . 50574 1 553 . 1 . 1 74 74 GLY HA3 H 1 3.733 0.00 . . . . . . . 74 GLY HA3 . 50574 1 554 . 1 . 1 74 74 GLY CA C 13 47.020 0.08 . . . . . . . 74 GLY CA . 50574 1 555 . 1 . 1 74 74 GLY N N 15 105.260 0.07 . . . . . . . 74 GLY N . 50574 1 556 . 1 . 1 75 75 ARG H H 1 7.601 0.00 . . . . . . . 75 ARG H . 50574 1 557 . 1 . 1 75 75 ARG HA H 1 3.941 0.00 . . . . . . . 75 ARG HA . 50574 1 558 . 1 . 1 75 75 ARG HB2 H 1 2.043 0.00 . . . . . . . 75 ARG QB . 50574 1 559 . 1 . 1 75 75 ARG HB3 H 1 2.043 0.00 . . . . . . . 75 ARG QB . 50574 1 560 . 1 . 1 75 75 ARG CA C 13 59.775 0.10 . . . . . . . 75 ARG CA . 50574 1 561 . 1 . 1 75 75 ARG CB C 13 30.806 0.05 . . . . . . . 75 ARG CB . 50574 1 562 . 1 . 1 75 75 ARG CG C 13 28.353 0.00 . . . . . . . 75 ARG CG . 50574 1 563 . 1 . 1 75 75 ARG CD C 13 43.835 0.00 . . . . . . . 75 ARG CD . 50574 1 564 . 1 . 1 75 75 ARG N N 15 122.426 0.02 . . . . . . . 75 ARG N . 50574 1 565 . 1 . 1 76 76 LEU H H 1 8.158 0.00 . . . . . . . 76 LEU H . 50574 1 566 . 1 . 1 76 76 LEU HA H 1 4.395 0.00 . . . . . . . 76 LEU HA . 50574 1 567 . 1 . 1 76 76 LEU HB2 H 1 2.021 0.00 . . . . . . . 76 LEU HB2 . 50574 1 568 . 1 . 1 76 76 LEU HB3 H 1 1.695 0.00 . . . . . . . 76 LEU HB3 . 50574 1 569 . 1 . 1 76 76 LEU CA C 13 57.895 0.07 . . . . . . . 76 LEU CA . 50574 1 570 . 1 . 1 76 76 LEU CB C 13 42.362 0.05 . . . . . . . 76 LEU CB . 50574 1 571 . 1 . 1 76 76 LEU CG C 13 26.992 0.00 . . . . . . . 76 LEU CG . 50574 1 572 . 1 . 1 76 76 LEU CD1 C 13 24.996 0.00 . . . . . . . 76 LEU CD1 . 50574 1 573 . 1 . 1 76 76 LEU N N 15 120.809 0.03 . . . . . . . 76 LEU N . 50574 1 574 . 1 . 1 77 77 LEU H H 1 8.431 0.00 . . . . . . . 77 LEU H . 50574 1 575 . 1 . 1 77 77 LEU HA H 1 4.026 0.00 . . . . . . . 77 LEU HA . 50574 1 576 . 1 . 1 77 77 LEU HB2 H 1 1.815 0.00 . . . . . . . 77 LEU HB2 . 50574 1 577 . 1 . 1 77 77 LEU HB3 H 1 1.492 0.00 . . . . . . . 77 LEU HB3 . 50574 1 578 . 1 . 1 77 77 LEU CA C 13 57.393 0.11 . . . . . . . 77 LEU CA . 50574 1 579 . 1 . 1 77 77 LEU CB C 13 41.799 0.11 . . . . . . . 77 LEU CB . 50574 1 580 . 1 . 1 77 77 LEU CG C 13 27.345 0.00 . . . . . . . 77 LEU CG . 50574 1 581 . 1 . 1 77 77 LEU CD1 C 13 25.134 0.00 . . . . . . . 77 LEU CD1 . 50574 1 582 . 1 . 1 77 77 LEU CD2 C 13 23.048 0.00 . . . . . . . 77 LEU CD2 . 50574 1 583 . 1 . 1 77 77 LEU N N 15 120.256 0.10 . . . . . . . 77 LEU N . 50574 1 584 . 1 . 1 78 78 ALA H H 1 7.678 0.00 . . . . . . . 78 ALA H . 50574 1 585 . 1 . 1 78 78 ALA HA H 1 4.295 0.00 . . . . . . . 78 ALA HA . 50574 1 586 . 1 . 1 78 78 ALA HB1 H 1 1.409 0.00 . . . . . . . 78 ALA MB . 50574 1 587 . 1 . 1 78 78 ALA HB2 H 1 1.409 0.00 . . . . . . . 78 ALA MB . 50574 1 588 . 1 . 1 78 78 ALA HB3 H 1 1.409 0.00 . . . . . . . 78 ALA MB . 50574 1 589 . 1 . 1 78 78 ALA CA C 13 52.251 0.06 . . . . . . . 78 ALA CA . 50574 1 590 . 1 . 1 78 78 ALA CB C 13 19.064 0.07 . . . . . . . 78 ALA CB . 50574 1 591 . 1 . 1 78 78 ALA N N 15 118.987 0.02 . . . . . . . 78 ALA N . 50574 1 592 . 1 . 1 79 79 GLY H H 1 7.495 0.00 . . . . . . . 79 GLY H . 50574 1 593 . 1 . 1 79 79 GLY HA2 H 1 4.714 0.00 . . . . . . . 79 GLY HA2 . 50574 1 594 . 1 . 1 79 79 GLY HA3 H 1 4.027 0.00 . . . . . . . 79 GLY HA3 . 50574 1 595 . 1 . 1 79 79 GLY CA C 13 46.136 0.04 . . . . . . . 79 GLY CA . 50574 1 596 . 1 . 1 79 79 GLY N N 15 105.606 0.02 . . . . . . . 79 GLY N . 50574 1 597 . 1 . 1 80 80 ALA H H 1 7.909 0.00 . . . . . . . 80 ALA H . 50574 1 598 . 1 . 1 80 80 ALA HA H 1 3.940 0.00 . . . . . . . 80 ALA HA . 50574 1 599 . 1 . 1 80 80 ALA HB1 H 1 0.926 0.00 . . . . . . . 80 ALA MB . 50574 1 600 . 1 . 1 80 80 ALA HB2 H 1 0.926 0.00 . . . . . . . 80 ALA MB . 50574 1 601 . 1 . 1 80 80 ALA HB3 H 1 0.926 0.00 . . . . . . . 80 ALA MB . 50574 1 602 . 1 . 1 80 80 ALA CA C 13 53.488 0.04 . . . . . . . 80 ALA CA . 50574 1 603 . 1 . 1 80 80 ALA CB C 13 18.847 0.07 . . . . . . . 80 ALA CB . 50574 1 604 . 1 . 1 80 80 ALA N N 15 120.121 0.05 . . . . . . . 80 ALA N . 50574 1 605 . 1 . 1 81 81 TYR H H 1 8.131 0.01 . . . . . . . 81 TYR H . 50574 1 606 . 1 . 1 81 81 TYR HA H 1 4.536 0.00 . . . . . . . 81 TYR HA . 50574 1 607 . 1 . 1 81 81 TYR HB2 H 1 2.793 0.00 . . . . . . . 81 TYR HB2 . 50574 1 608 . 1 . 1 81 81 TYR HB3 H 1 2.546 0.00 . . . . . . . 81 TYR HB3 . 50574 1 609 . 1 . 1 81 81 TYR CA C 13 57.487 0.18 . . . . . . . 81 TYR CA . 50574 1 610 . 1 . 1 81 81 TYR CB C 13 38.193 0.05 . . . . . . . 81 TYR CB . 50574 1 611 . 1 . 1 81 81 TYR N N 15 114.486 0.10 . . . . . . . 81 TYR N . 50574 1 612 . 1 . 1 82 82 HIS H H 1 9.238 0.01 . . . . . . . 82 HIS H . 50574 1 613 . 1 . 1 82 82 HIS HA H 1 4.553 0.00 . . . . . . . 82 HIS HA . 50574 1 614 . 1 . 1 82 82 HIS HB2 H 1 3.084 0.00 . . . . . . . 82 HIS QB . 50574 1 615 . 1 . 1 82 82 HIS HB3 H 1 3.084 0.00 . . . . . . . 82 HIS QB . 50574 1 616 . 1 . 1 82 82 HIS CA C 13 57.359 0.16 . . . . . . . 82 HIS CA . 50574 1 617 . 1 . 1 82 82 HIS CB C 13 31.580 0.09 . . . . . . . 82 HIS CB . 50574 1 618 . 1 . 1 82 82 HIS N N 15 122.492 0.04 . . . . . . . 82 HIS N . 50574 1 619 . 1 . 1 83 83 ALA H H 1 7.586 0.00 . . . . . . . 83 ALA H . 50574 1 620 . 1 . 1 83 83 ALA HA H 1 5.266 0.00 . . . . . . . 83 ALA HA . 50574 1 621 . 1 . 1 83 83 ALA HB1 H 1 1.269 0.00 . . . . . . . 83 ALA MB . 50574 1 622 . 1 . 1 83 83 ALA HB2 H 1 1.269 0.00 . . . . . . . 83 ALA MB . 50574 1 623 . 1 . 1 83 83 ALA HB3 H 1 1.269 0.00 . . . . . . . 83 ALA MB . 50574 1 624 . 1 . 1 83 83 ALA CA C 13 50.971 0.14 . . . . . . . 83 ALA CA . 50574 1 625 . 1 . 1 83 83 ALA CB C 13 22.792 0.06 . . . . . . . 83 ALA CB . 50574 1 626 . 1 . 1 83 83 ALA N N 15 117.309 0.09 . . . . . . . 83 ALA N . 50574 1 627 . 1 . 1 84 84 VAL H H 1 8.827 0.00 . . . . . . . 84 VAL H . 50574 1 628 . 1 . 1 84 84 VAL HA H 1 4.928 0.00 . . . . . . . 84 VAL HA . 50574 1 629 . 1 . 1 84 84 VAL HB H 1 1.811 0.00 . . . . . . . 84 VAL HB . 50574 1 630 . 1 . 1 84 84 VAL CA C 13 60.261 0.03 . . . . . . . 84 VAL CA . 50574 1 631 . 1 . 1 84 84 VAL CB C 13 33.861 0.01 . . . . . . . 84 VAL CB . 50574 1 632 . 1 . 1 84 84 VAL CG1 C 13 21.656 0.00 . . . . . . . 84 VAL CG1 . 50574 1 633 . 1 . 1 84 84 VAL N N 15 122.754 0.04 . . . . . . . 84 VAL N . 50574 1 634 . 1 . 1 85 85 VAL H H 1 9.060 0.01 . . . . . . . 85 VAL H . 50574 1 635 . 1 . 1 85 85 VAL HA H 1 4.749 0.00 . . . . . . . 85 VAL HA . 50574 1 636 . 1 . 1 85 85 VAL HB H 1 1.756 0.00 . . . . . . . 85 VAL HB . 50574 1 637 . 1 . 1 85 85 VAL CA C 13 60.342 0.02 . . . . . . . 85 VAL CA . 50574 1 638 . 1 . 1 85 85 VAL CB C 13 34.039 0.05 . . . . . . . 85 VAL CB . 50574 1 639 . 1 . 1 85 85 VAL CG1 C 13 20.565 0.00 . . . . . . . 85 VAL CG1 . 50574 1 640 . 1 . 1 85 85 VAL N N 15 126.877 0.07 . . . . . . . 85 VAL N . 50574 1 641 . 1 . 1 86 86 LEU H H 1 8.983 0.00 . . . . . . . 86 LEU H . 50574 1 642 . 1 . 1 86 86 LEU HA H 1 5.107 0.00 . . . . . . . 86 LEU HA . 50574 1 643 . 1 . 1 86 86 LEU HB2 H 1 1.715 0.00 . . . . . . . 86 LEU HB2 . 50574 1 644 . 1 . 1 86 86 LEU HB3 H 1 1.320 0.00 . . . . . . . 86 LEU HB3 . 50574 1 645 . 1 . 1 86 86 LEU CA C 13 53.653 0.01 . . . . . . . 86 LEU CA . 50574 1 646 . 1 . 1 86 86 LEU CB C 13 45.255 0.01 . . . . . . . 86 LEU CB . 50574 1 647 . 1 . 1 86 86 LEU CG C 13 27.771 0.00 . . . . . . . 86 LEU CG . 50574 1 648 . 1 . 1 86 86 LEU CD1 C 13 24.645 0.00 . . . . . . . 86 LEU CD1 . 50574 1 649 . 1 . 1 86 86 LEU N N 15 126.908 0.06 . . . . . . . 86 LEU N . 50574 1 650 . 1 . 1 87 87 LEU H H 1 8.076 0.00 . . . . . . . 87 LEU H . 50574 1 651 . 1 . 1 87 87 LEU HA H 1 4.041 0.00 . . . . . . . 87 LEU HA . 50574 1 652 . 1 . 1 87 87 LEU HB2 H 1 1.896 0.00 . . . . . . . 87 LEU HB2 . 50574 1 653 . 1 . 1 87 87 LEU HB3 H 1 1.613 0.00 . . . . . . . 87 LEU HB3 . 50574 1 654 . 1 . 1 87 87 LEU CA C 13 54.003 0.13 . . . . . . . 87 LEU CA . 50574 1 655 . 1 . 1 87 87 LEU CB C 13 46.732 0.02 . . . . . . . 87 LEU CB . 50574 1 656 . 1 . 1 87 87 LEU CG C 13 27.303 0.00 . . . . . . . 87 LEU CG . 50574 1 657 . 1 . 1 87 87 LEU CD1 C 13 26.764 0.00 . . . . . . . 87 LEU CD1 . 50574 1 658 . 1 . 1 87 87 LEU CD2 C 13 26.229 0.00 . . . . . . . 87 LEU CD2 . 50574 1 659 . 1 . 1 87 87 LEU N N 15 114.682 0.02 . . . . . . . 87 LEU N . 50574 1 660 . 1 . 1 88 88 ASP H H 1 8.738 0.00 . . . . . . . 88 ASP H . 50574 1 661 . 1 . 1 88 88 ASP HA H 1 4.471 0.00 . . . . . . . 88 ASP HA . 50574 1 662 . 1 . 1 88 88 ASP HB2 H 1 3.221 0.00 . . . . . . . 88 ASP HB2 . 50574 1 663 . 1 . 1 88 88 ASP HB3 H 1 2.537 0.00 . . . . . . . 88 ASP HB3 . 50574 1 664 . 1 . 1 88 88 ASP CA C 13 51.323 0.04 . . . . . . . 88 ASP CA . 50574 1 665 . 1 . 1 88 88 ASP CB C 13 41.446 0.02 . . . . . . . 88 ASP CB . 50574 1 666 . 1 . 1 88 88 ASP N N 15 123.451 0.03 . . . . . . . 88 ASP N . 50574 1 667 . 1 . 1 89 89 GLU H H 1 8.822 0.00 . . . . . . . 89 GLU H . 50574 1 668 . 1 . 1 89 89 GLU HA H 1 3.986 0.00 . . . . . . . 89 GLU HA . 50574 1 669 . 1 . 1 89 89 GLU HB2 H 1 2.183 0.00 . . . . . . . 89 GLU HB2 . 50574 1 670 . 1 . 1 89 89 GLU HB3 H 1 1.975 0.00 . . . . . . . 89 GLU HB3 . 50574 1 671 . 1 . 1 89 89 GLU CA C 13 62.463 0.04 . . . . . . . 89 GLU CA . 50574 1 672 . 1 . 1 89 89 GLU CB C 13 29.554 0.00 . . . . . . . 89 GLU CB . 50574 1 673 . 1 . 1 89 89 GLU CG C 13 36.960 0.00 . . . . . . . 89 GLU CG . 50574 1 674 . 1 . 1 89 89 GLU N N 15 118.572 0.05 . . . . . . . 89 GLU N . 50574 1 675 . 1 . 1 90 90 ARG H H 1 8.229 0.00 . . . . . . . 90 ARG H . 50574 1 676 . 1 . 1 90 90 ARG HA H 1 4.919 0.00 . . . . . . . 90 ARG HA . 50574 1 677 . 1 . 1 90 90 ARG HB2 H 1 1.908 0.00 . . . . . . . 90 ARG HB2 . 50574 1 678 . 1 . 1 90 90 ARG HB3 H 1 1.698 0.00 . . . . . . . 90 ARG HB3 . 50574 1 679 . 1 . 1 90 90 ARG CA C 13 55.747 0.05 . . . . . . . 90 ARG CA . 50574 1 680 . 1 . 1 90 90 ARG CB C 13 30.581 0.02 . . . . . . . 90 ARG CB . 50574 1 681 . 1 . 1 90 90 ARG CG C 13 25.538 0.00 . . . . . . . 90 ARG CG . 50574 1 682 . 1 . 1 90 90 ARG CD C 13 43.454 0.00 . . . . . . . 90 ARG CD . 50574 1 683 . 1 . 1 90 90 ARG N N 15 111.112 0.02 . . . . . . . 90 ARG N . 50574 1 684 . 1 . 1 91 91 SER H H 1 9.360 0.00 . . . . . . . 91 SER H . 50574 1 685 . 1 . 1 91 91 SER HA H 1 4.331 0.00 . . . . . . . 91 SER HA . 50574 1 686 . 1 . 1 91 91 SER HB2 H 1 3.824 0.00 . . . . . . . 91 SER QB . 50574 1 687 . 1 . 1 91 91 SER HB3 H 1 3.824 0.00 . . . . . . . 91 SER QB . 50574 1 688 . 1 . 1 91 91 SER CA C 13 62.858 0.17 . . . . . . . 91 SER CA . 50574 1 689 . 1 . 1 91 91 SER CB C 13 61.771 0.04 . . . . . . . 91 SER CB . 50574 1 690 . 1 . 1 91 91 SER N N 15 121.806 0.03 . . . . . . . 91 SER N . 50574 1 691 . 1 . 1 92 92 ALA H H 1 8.806 0.00 . . . . . . . 92 ALA H . 50574 1 692 . 1 . 1 92 92 ALA HA H 1 4.273 0.00 . . . . . . . 92 ALA HA . 50574 1 693 . 1 . 1 92 92 ALA HB1 H 1 1.437 0.00 . . . . . . . 92 ALA MB . 50574 1 694 . 1 . 1 92 92 ALA HB2 H 1 1.437 0.00 . . . . . . . 92 ALA MB . 50574 1 695 . 1 . 1 92 92 ALA HB3 H 1 1.437 0.00 . . . . . . . 92 ALA MB . 50574 1 696 . 1 . 1 92 92 ALA CA C 13 53.243 0.06 . . . . . . . 92 ALA CA . 50574 1 697 . 1 . 1 92 92 ALA CB C 13 19.831 0.07 . . . . . . . 92 ALA CB . 50574 1 698 . 1 . 1 92 92 ALA N N 15 124.552 0.03 . . . . . . . 92 ALA N . 50574 1 699 . 1 . 1 93 93 ALA H H 1 7.581 0.00 . . . . . . . 93 ALA H . 50574 1 700 . 1 . 1 93 93 ALA HA H 1 4.306 0.00 . . . . . . . 93 ALA HA . 50574 1 701 . 1 . 1 93 93 ALA HB1 H 1 1.268 0.00 . . . . . . . 93 ALA MB . 50574 1 702 . 1 . 1 93 93 ALA HB2 H 1 1.268 0.00 . . . . . . . 93 ALA MB . 50574 1 703 . 1 . 1 93 93 ALA HB3 H 1 1.268 0.00 . . . . . . . 93 ALA MB . 50574 1 704 . 1 . 1 93 93 ALA CA C 13 51.168 0.04 . . . . . . . 93 ALA CA . 50574 1 705 . 1 . 1 93 93 ALA CB C 13 21.800 0.03 . . . . . . . 93 ALA CB . 50574 1 706 . 1 . 1 93 93 ALA N N 15 117.602 0.06 . . . . . . . 93 ALA N . 50574 1 707 . 1 . 1 94 94 LEU H H 1 8.072 0.00 . . . . . . . 94 LEU H . 50574 1 708 . 1 . 1 94 94 LEU HA H 1 3.160 0.00 . . . . . . . 94 LEU HA . 50574 1 709 . 1 . 1 94 94 LEU HB2 H 1 1.237 0.00 . . . . . . . 94 LEU HB2 . 50574 1 710 . 1 . 1 94 94 LEU HB3 H 1 0.590 0.00 . . . . . . . 94 LEU HB3 . 50574 1 711 . 1 . 1 94 94 LEU CA C 13 56.723 0.07 . . . . . . . 94 LEU CA . 50574 1 712 . 1 . 1 94 94 LEU CB C 13 41.322 0.03 . . . . . . . 94 LEU CB . 50574 1 713 . 1 . 1 94 94 LEU CG C 13 26.639 0.00 . . . . . . . 94 LEU CG . 50574 1 714 . 1 . 1 94 94 LEU CD1 C 13 25.655 0.00 . . . . . . . 94 LEU CD1 . 50574 1 715 . 1 . 1 94 94 LEU CD2 C 13 23.634 0.00 . . . . . . . 94 LEU CD2 . 50574 1 716 . 1 . 1 94 94 LEU N N 15 124.598 0.03 . . . . . . . 94 LEU N . 50574 1 717 . 1 . 1 95 95 ASP H H 1 8.003 0.00 . . . . . . . 95 ASP H . 50574 1 718 . 1 . 1 95 95 ASP HA H 1 4.249 0.00 . . . . . . . 95 ASP HA . 50574 1 719 . 1 . 1 95 95 ASP HB2 H 1 2.497 0.00 . . . . . . . 95 ASP QB . 50574 1 720 . 1 . 1 95 95 ASP HB3 H 1 2.497 0.00 . . . . . . . 95 ASP QB . 50574 1 721 . 1 . 1 95 95 ASP CA C 13 55.006 0.10 . . . . . . . 95 ASP CA . 50574 1 722 . 1 . 1 95 95 ASP CB C 13 40.253 0.03 . . . . . . . 95 ASP CB . 50574 1 723 . 1 . 1 95 95 ASP N N 15 116.448 0.02 . . . . . . . 95 ASP N . 50574 1 724 . 1 . 1 96 96 GLY H H 1 7.772 0.00 . . . . . . . 96 GLY H . 50574 1 725 . 1 . 1 96 96 GLY HA2 H 1 3.991 0.00 . . . . . . . 96 GLY HA2 . 50574 1 726 . 1 . 1 96 96 GLY HA3 H 1 3.723 0.00 . . . . . . . 96 GLY HA3 . 50574 1 727 . 1 . 1 96 96 GLY CA C 13 45.044 0.05 . . . . . . . 96 GLY CA . 50574 1 728 . 1 . 1 96 96 GLY N N 15 107.550 0.03 . . . . . . . 96 GLY N . 50574 1 729 . 1 . 1 97 97 ALA H H 1 7.493 0.00 . . . . . . . 97 ALA H . 50574 1 730 . 1 . 1 97 97 ALA HA H 1 4.317 0.00 . . . . . . . 97 ALA HA . 50574 1 731 . 1 . 1 97 97 ALA HB1 H 1 1.389 0.00 . . . . . . . 97 ALA MB . 50574 1 732 . 1 . 1 97 97 ALA HB2 H 1 1.389 0.00 . . . . . . . 97 ALA MB . 50574 1 733 . 1 . 1 97 97 ALA HB3 H 1 1.389 0.00 . . . . . . . 97 ALA MB . 50574 1 734 . 1 . 1 97 97 ALA CA C 13 52.165 0.07 . . . . . . . 97 ALA CA . 50574 1 735 . 1 . 1 97 97 ALA CB C 13 18.849 0.00 . . . . . . . 97 ALA CB . 50574 1 736 . 1 . 1 97 97 ALA N N 15 124.136 0.03 . . . . . . . 97 ALA N . 50574 1 737 . 1 . 1 98 98 LYS HA H 1 3.815 0.00 . . . . . . . 98 LYS HA . 50574 1 738 . 1 . 1 98 98 LYS HB2 H 1 1.772 0.00 . . . . . . . 98 LYS QB . 50574 1 739 . 1 . 1 98 98 LYS HB3 H 1 1.772 0.00 . . . . . . . 98 LYS QB . 50574 1 740 . 1 . 1 98 98 LYS CA C 13 56.783 0.00 . . . . . . . 98 LYS CA . 50574 1 741 . 1 . 1 98 98 LYS CB C 13 32.606 0.05 . . . . . . . 98 LYS CB . 50574 1 742 . 1 . 1 98 98 LYS CG C 13 24.874 0.00 . . . . . . . 98 LYS CG . 50574 1 743 . 1 . 1 98 98 LYS CD C 13 29.245 0.00 . . . . . . . 98 LYS CD . 50574 1 744 . 1 . 1 98 98 LYS CE C 13 42.398 0.00 . . . . . . . 98 LYS CE . 50574 1 745 . 1 . 1 99 99 ARG H H 1 8.639 0.00 . . . . . . . 99 ARG H . 50574 1 746 . 1 . 1 99 99 ARG HA H 1 3.844 0.00 . . . . . . . 99 ARG HA . 50574 1 747 . 1 . 1 99 99 ARG HB2 H 1 1.764 0.00 . . . . . . . 99 ARG QB . 50574 1 748 . 1 . 1 99 99 ARG HB3 H 1 1.764 0.00 . . . . . . . 99 ARG QB . 50574 1 749 . 1 . 1 99 99 ARG CA C 13 58.416 0.03 . . . . . . . 99 ARG CA . 50574 1 750 . 1 . 1 99 99 ARG CB C 13 29.927 0.11 . . . . . . . 99 ARG CB . 50574 1 751 . 1 . 1 99 99 ARG CG C 13 27.130 0.00 . . . . . . . 99 ARG CG . 50574 1 752 . 1 . 1 99 99 ARG CD C 13 43.436 0.00 . . . . . . . 99 ARG CD . 50574 1 753 . 1 . 1 99 99 ARG N N 15 124.185 0.04 . . . . . . . 99 ARG N . 50574 1 754 . 1 . 1 100 100 ASP H H 1 8.207 0.00 . . . . . . . 100 ASP H . 50574 1 755 . 1 . 1 100 100 ASP HA H 1 4.526 0.00 . . . . . . . 100 ASP HA . 50574 1 756 . 1 . 1 100 100 ASP HB2 H 1 2.773 0.00 . . . . . . . 100 ASP HB2 . 50574 1 757 . 1 . 1 100 100 ASP HB3 H 1 2.541 0.00 . . . . . . . 100 ASP HB3 . 50574 1 758 . 1 . 1 100 100 ASP CA C 13 52.945 0.09 . . . . . . . 100 ASP CA . 50574 1 759 . 1 . 1 100 100 ASP CB C 13 40.325 0.11 . . . . . . . 100 ASP CB . 50574 1 760 . 1 . 1 100 100 ASP N N 15 116.191 0.06 . . . . . . . 100 ASP N . 50574 1 761 . 1 . 1 101 101 GLY H H 1 7.615 0.00 . . . . . . . 101 GLY H . 50574 1 762 . 1 . 1 101 101 GLY HA2 H 1 4.238 0.00 . . . . . . . 101 GLY HA2 . 50574 1 763 . 1 . 1 101 101 GLY HA3 H 1 3.890 0.00 . . . . . . . 101 GLY HA3 . 50574 1 764 . 1 . 1 101 101 GLY CA C 13 44.736 0.02 . . . . . . . 101 GLY CA . 50574 1 765 . 1 . 1 101 101 GLY N N 15 106.660 0.03 . . . . . . . 101 GLY N . 50574 1 766 . 1 . 1 102 102 THR H H 1 8.371 0.01 . . . . . . . 102 THR H . 50574 1 767 . 1 . 1 102 102 THR HA H 1 4.191 0.00 . . . . . . . 102 THR HA . 50574 1 768 . 1 . 1 102 102 THR HB H 1 3.693 0.00 . . . . . . . 102 THR HB . 50574 1 769 . 1 . 1 102 102 THR CA C 13 67.042 0.10 . . . . . . . 102 THR CA . 50574 1 770 . 1 . 1 102 102 THR CB C 13 68.692 0.05 . . . . . . . 102 THR CB . 50574 1 771 . 1 . 1 102 102 THR CG2 C 13 22.631 0.00 . . . . . . . 102 THR CG2 . 50574 1 772 . 1 . 1 102 102 THR N N 15 115.242 0.09 . . . . . . . 102 THR N . 50574 1 773 . 1 . 1 103 103 LEU H H 1 8.299 0.00 . . . . . . . 103 LEU H . 50574 1 774 . 1 . 1 103 103 LEU HA H 1 4.296 0.00 . . . . . . . 103 LEU HA . 50574 1 775 . 1 . 1 103 103 LEU HB2 H 1 1.716 0.00 . . . . . . . 103 LEU HB2 . 50574 1 776 . 1 . 1 103 103 LEU HB3 H 1 1.527 0.00 . . . . . . . 103 LEU HB3 . 50574 1 777 . 1 . 1 103 103 LEU CA C 13 59.583 0.10 . . . . . . . 103 LEU CA . 50574 1 778 . 1 . 1 103 103 LEU CB C 13 41.877 0.10 . . . . . . . 103 LEU CB . 50574 1 779 . 1 . 1 103 103 LEU CG C 13 27.546 0.00 . . . . . . . 103 LEU CG . 50574 1 780 . 1 . 1 103 103 LEU CD1 C 13 25.924 0.00 . . . . . . . 103 LEU CD1 . 50574 1 781 . 1 . 1 103 103 LEU N N 15 121.072 0.06 . . . . . . . 103 LEU N . 50574 1 782 . 1 . 1 104 104 ALA H H 1 8.537 0.00 . . . . . . . 104 ALA H . 50574 1 783 . 1 . 1 104 104 ALA HA H 1 3.787 0.00 . . . . . . . 104 ALA HA . 50574 1 784 . 1 . 1 104 104 ALA HB1 H 1 1.338 0.00 . . . . . . . 104 ALA MB . 50574 1 785 . 1 . 1 104 104 ALA HB2 H 1 1.338 0.00 . . . . . . . 104 ALA MB . 50574 1 786 . 1 . 1 104 104 ALA HB3 H 1 1.338 0.00 . . . . . . . 104 ALA MB . 50574 1 787 . 1 . 1 104 104 ALA CA C 13 55.428 0.14 . . . . . . . 104 ALA CA . 50574 1 788 . 1 . 1 104 104 ALA CB C 13 18.643 0.08 . . . . . . . 104 ALA CB . 50574 1 789 . 1 . 1 104 104 ALA N N 15 121.375 0.02 . . . . . . . 104 ALA N . 50574 1 790 . 1 . 1 105 105 LEU H H 1 8.256 0.00 . . . . . . . 105 LEU H . 50574 1 791 . 1 . 1 105 105 LEU HA H 1 4.197 0.00 . . . . . . . 105 LEU HA . 50574 1 792 . 1 . 1 105 105 LEU HB2 H 1 1.178 0.00 . . . . . . . 105 LEU QB . 50574 1 793 . 1 . 1 105 105 LEU HB3 H 1 1.178 0.00 . . . . . . . 105 LEU QB . 50574 1 794 . 1 . 1 105 105 LEU CA C 13 57.613 0.09 . . . . . . . 105 LEU CA . 50574 1 795 . 1 . 1 105 105 LEU CB C 13 41.941 0.20 . . . . . . . 105 LEU CB . 50574 1 796 . 1 . 1 105 105 LEU CG C 13 27.228 0.00 . . . . . . . 105 LEU CG . 50574 1 797 . 1 . 1 105 105 LEU CD1 C 13 26.357 0.00 . . . . . . . 105 LEU CD1 . 50574 1 798 . 1 . 1 105 105 LEU CD2 C 13 22.978 0.00 . . . . . . . 105 LEU CD2 . 50574 1 799 . 1 . 1 105 105 LEU N N 15 119.205 0.03 . . . . . . . 105 LEU N . 50574 1 800 . 1 . 1 106 106 ALA H H 1 8.745 0.00 . . . . . . . 106 ALA H . 50574 1 801 . 1 . 1 106 106 ALA HA H 1 3.933 0.00 . . . . . . . 106 ALA HA . 50574 1 802 . 1 . 1 106 106 ALA HB1 H 1 1.411 0.00 . . . . . . . 106 ALA MB . 50574 1 803 . 1 . 1 106 106 ALA HB2 H 1 1.411 0.00 . . . . . . . 106 ALA MB . 50574 1 804 . 1 . 1 106 106 ALA HB3 H 1 1.411 0.00 . . . . . . . 106 ALA MB . 50574 1 805 . 1 . 1 106 106 ALA CA C 13 55.259 0.11 . . . . . . . 106 ALA CA . 50574 1 806 . 1 . 1 106 106 ALA CB C 13 18.450 0.07 . . . . . . . 106 ALA CB . 50574 1 807 . 1 . 1 106 106 ALA N N 15 123.084 0.06 . . . . . . . 106 ALA N . 50574 1 808 . 1 . 1 107 107 ALA H H 1 8.817 0.00 . . . . . . . 107 ALA H . 50574 1 809 . 1 . 1 107 107 ALA HA H 1 3.752 0.00 . . . . . . . 107 ALA HA . 50574 1 810 . 1 . 1 107 107 ALA HB1 H 1 1.314 0.00 . . . . . . . 107 ALA MB . 50574 1 811 . 1 . 1 107 107 ALA HB2 H 1 1.314 0.00 . . . . . . . 107 ALA MB . 50574 1 812 . 1 . 1 107 107 ALA HB3 H 1 1.314 0.00 . . . . . . . 107 ALA MB . 50574 1 813 . 1 . 1 107 107 ALA CA C 13 55.739 0.09 . . . . . . . 107 ALA CA . 50574 1 814 . 1 . 1 107 107 ALA CB C 13 17.921 0.06 . . . . . . . 107 ALA CB . 50574 1 815 . 1 . 1 107 107 ALA N N 15 119.495 0.03 . . . . . . . 107 ALA N . 50574 1 816 . 1 . 1 108 108 GLY H H 1 7.976 0.00 . . . . . . . 108 GLY H . 50574 1 817 . 1 . 1 108 108 GLY HA2 H 1 3.788 0.00 . . . . . . . 108 GLY HA2 . 50574 1 818 . 1 . 1 108 108 GLY HA3 H 1 3.664 0.00 . . . . . . . 108 GLY HA3 . 50574 1 819 . 1 . 1 108 108 GLY CA C 13 47.360 0.04 . . . . . . . 108 GLY CA . 50574 1 820 . 1 . 1 108 108 GLY N N 15 103.511 0.02 . . . . . . . 108 GLY N . 50574 1 821 . 1 . 1 109 109 ALA H H 1 7.438 0.00 . . . . . . . 109 ALA H . 50574 1 822 . 1 . 1 109 109 ALA HA H 1 4.085 0.00 . . . . . . . 109 ALA HA . 50574 1 823 . 1 . 1 109 109 ALA HB1 H 1 1.217 0.00 . . . . . . . 109 ALA MB . 50574 1 824 . 1 . 1 109 109 ALA HB2 H 1 1.217 0.00 . . . . . . . 109 ALA MB . 50574 1 825 . 1 . 1 109 109 ALA HB3 H 1 1.217 0.00 . . . . . . . 109 ALA MB . 50574 1 826 . 1 . 1 109 109 ALA CA C 13 55.071 0.00 . . . . . . . 109 ALA CA . 50574 1 827 . 1 . 1 109 109 ALA CB C 13 18.847 0.02 . . . . . . . 109 ALA CB . 50574 1 828 . 1 . 1 109 109 ALA N N 15 123.095 0.03 . . . . . . . 109 ALA N . 50574 1 829 . 1 . 1 110 110 LEU H H 1 8.180 0.00 . . . . . . . 110 LEU H . 50574 1 830 . 1 . 1 110 110 LEU HA H 1 3.761 0.00 . . . . . . . 110 LEU HA . 50574 1 831 . 1 . 1 110 110 LEU HB2 H 1 1.882 0.00 . . . . . . . 110 LEU QB . 50574 1 832 . 1 . 1 110 110 LEU HB3 H 1 1.882 0.00 . . . . . . . 110 LEU QB . 50574 1 833 . 1 . 1 110 110 LEU CA C 13 58.011 0.08 . . . . . . . 110 LEU CA . 50574 1 834 . 1 . 1 110 110 LEU CB C 13 42.269 0.06 . . . . . . . 110 LEU CB . 50574 1 835 . 1 . 1 110 110 LEU CG C 13 27.143 0.00 . . . . . . . 110 LEU CG . 50574 1 836 . 1 . 1 110 110 LEU CD1 C 13 25.278 0.00 . . . . . . . 110 LEU CD1 . 50574 1 837 . 1 . 1 110 110 LEU CD2 C 13 24.362 0.00 . . . . . . . 110 LEU CD2 . 50574 1 838 . 1 . 1 110 110 LEU N N 15 117.837 0.05 . . . . . . . 110 LEU N . 50574 1 839 . 1 . 1 111 111 CYS H H 1 8.066 0.00 . . . . . . . 111 CYS H . 50574 1 840 . 1 . 1 111 111 CYS HA H 1 4.042 0.00 . . . . . . . 111 CYS HA . 50574 1 841 . 1 . 1 111 111 CYS HB2 H 1 2.849 0.00 . . . . . . . 111 CYS QB . 50574 1 842 . 1 . 1 111 111 CYS HB3 H 1 2.849 0.00 . . . . . . . 111 CYS QB . 50574 1 843 . 1 . 1 111 111 CYS CA C 13 62.817 0.04 . . . . . . . 111 CYS CA . 50574 1 844 . 1 . 1 111 111 CYS CB C 13 27.105 0.07 . . . . . . . 111 CYS CB . 50574 1 845 . 1 . 1 111 111 CYS N N 15 114.759 0.03 . . . . . . . 111 CYS N . 50574 1 846 . 1 . 1 112 112 ARG H H 1 7.452 0.00 . . . . . . . 112 ARG H . 50574 1 847 . 1 . 1 112 112 ARG HA H 1 4.131 0.00 . . . . . . . 112 ARG HA . 50574 1 848 . 1 . 1 112 112 ARG HB2 H 1 1.885 0.00 . . . . . . . 112 ARG HB2 . 50574 1 849 . 1 . 1 112 112 ARG HB3 H 1 1.783 0.00 . . . . . . . 112 ARG HB3 . 50574 1 850 . 1 . 1 112 112 ARG CA C 13 58.728 0.10 . . . . . . . 112 ARG CA . 50574 1 851 . 1 . 1 112 112 ARG CB C 13 32.002 0.06 . . . . . . . 112 ARG CB . 50574 1 852 . 1 . 1 112 112 ARG CG C 13 28.706 0.00 . . . . . . . 112 ARG CG . 50574 1 853 . 1 . 1 112 112 ARG CD C 13 43.414 0.00 . . . . . . . 112 ARG CD . 50574 1 854 . 1 . 1 112 112 ARG N N 15 115.979 0.01 . . . . . . . 112 ARG N . 50574 1 855 . 1 . 1 113 113 GLU H H 1 7.878 0.00 . . . . . . . 113 GLU H . 50574 1 856 . 1 . 1 113 113 GLU HB2 H 1 2.150 0.00 . . . . . . . 113 GLU HB2 . 50574 1 857 . 1 . 1 113 113 GLU HB3 H 1 1.804 0.00 . . . . . . . 113 GLU HB3 . 50574 1 858 . 1 . 1 113 113 GLU CA C 13 57.253 0.09 . . . . . . . 113 GLU CA . 50574 1 859 . 1 . 1 113 113 GLU CB C 13 32.693 0.05 . . . . . . . 113 GLU CB . 50574 1 860 . 1 . 1 113 113 GLU CG C 13 37.486 0.00 . . . . . . . 113 GLU CG . 50574 1 861 . 1 . 1 113 113 GLU N N 15 114.199 0.02 . . . . . . . 113 GLU N . 50574 1 862 . 1 . 1 114 114 ALA H H 1 8.238 0.00 . . . . . . . 114 ALA H . 50574 1 863 . 1 . 1 114 114 ALA HA H 1 4.560 0.00 . . . . . . . 114 ALA HA . 50574 1 864 . 1 . 1 114 114 ALA HB1 H 1 1.216 0.00 . . . . . . . 114 ALA MB . 50574 1 865 . 1 . 1 114 114 ALA HB2 H 1 1.216 0.00 . . . . . . . 114 ALA MB . 50574 1 866 . 1 . 1 114 114 ALA HB3 H 1 1.216 0.00 . . . . . . . 114 ALA MB . 50574 1 867 . 1 . 1 114 114 ALA CA C 13 51.266 0.01 . . . . . . . 114 ALA CA . 50574 1 868 . 1 . 1 114 114 ALA CB C 13 18.310 0.08 . . . . . . . 114 ALA CB . 50574 1 869 . 1 . 1 114 114 ALA N N 15 123.778 0.03 . . . . . . . 114 ALA N . 50574 1 870 . 1 . 1 115 115 ARG H H 1 7.641 0.00 . . . . . . . 115 ARG H . 50574 1 871 . 1 . 1 115 115 ARG HA H 1 4.220 0.00 . . . . . . . 115 ARG HA . 50574 1 872 . 1 . 1 115 115 ARG HB2 H 1 1.828 0.00 . . . . . . . 115 ARG HB2 . 50574 1 873 . 1 . 1 115 115 ARG HB3 H 1 1.653 0.00 . . . . . . . 115 ARG HB3 . 50574 1 874 . 1 . 1 115 115 ARG CA C 13 56.833 0.08 . . . . . . . 115 ARG CA . 50574 1 875 . 1 . 1 115 115 ARG CB C 13 30.039 0.00 . . . . . . . 115 ARG CB . 50574 1 876 . 1 . 1 115 115 ARG CG C 13 27.299 0.00 . . . . . . . 115 ARG CG . 50574 1 877 . 1 . 1 115 115 ARG CD C 13 45.359 0.00 . . . . . . . 115 ARG CD . 50574 1 878 . 1 . 1 115 115 ARG N N 15 117.976 0.03 . . . . . . . 115 ARG N . 50574 1 879 . 1 . 1 116 116 ALA H H 1 8.288 0.01 . . . . . . . 116 ALA H . 50574 1 880 . 1 . 1 116 116 ALA HA H 1 4.288 0.00 . . . . . . . 116 ALA HA . 50574 1 881 . 1 . 1 116 116 ALA HB1 H 1 1.286 0.00 . . . . . . . 116 ALA MB . 50574 1 882 . 1 . 1 116 116 ALA HB2 H 1 1.286 0.00 . . . . . . . 116 ALA MB . 50574 1 883 . 1 . 1 116 116 ALA HB3 H 1 1.286 0.00 . . . . . . . 116 ALA MB . 50574 1 884 . 1 . 1 116 116 ALA CA C 13 52.253 0.06 . . . . . . . 116 ALA CA . 50574 1 885 . 1 . 1 116 116 ALA CB C 13 19.051 0.04 . . . . . . . 116 ALA CB . 50574 1 886 . 1 . 1 116 116 ALA N N 15 121.504 0.12 . . . . . . . 116 ALA N . 50574 1 887 . 1 . 1 117 117 ALA H H 1 7.582 0.00 . . . . . . . 117 ALA H . 50574 1 888 . 1 . 1 117 117 ALA HA H 1 4.293 0.00 . . . . . . . 117 ALA HA . 50574 1 889 . 1 . 1 117 117 ALA HB1 H 1 1.105 0.00 . . . . . . . 117 ALA MB . 50574 1 890 . 1 . 1 117 117 ALA HB2 H 1 1.105 0.00 . . . . . . . 117 ALA MB . 50574 1 891 . 1 . 1 117 117 ALA HB3 H 1 1.105 0.00 . . . . . . . 117 ALA MB . 50574 1 892 . 1 . 1 117 117 ALA CA C 13 51.762 0.07 . . . . . . . 117 ALA CA . 50574 1 893 . 1 . 1 117 117 ALA CB C 13 20.116 0.03 . . . . . . . 117 ALA CB . 50574 1 894 . 1 . 1 117 117 ALA N N 15 120.660 0.02 . . . . . . . 117 ALA N . 50574 1 895 . 1 . 1 118 118 GLN H H 1 7.758 0.01 . . . . . . . 118 GLN H . 50574 1 896 . 1 . 1 118 118 GLN HA H 1 4.184 0.00 . . . . . . . 118 GLN HA . 50574 1 897 . 1 . 1 118 118 GLN HB2 H 1 1.855 0.00 . . . . . . . 118 GLN HB2 . 50574 1 898 . 1 . 1 118 118 GLN HB3 H 1 1.770 0.00 . . . . . . . 118 GLN HB3 . 50574 1 899 . 1 . 1 118 118 GLN CA C 13 55.394 0.08 . . . . . . . 118 GLN CA . 50574 1 900 . 1 . 1 118 118 GLN CB C 13 30.129 0.04 . . . . . . . 118 GLN CB . 50574 1 901 . 1 . 1 118 118 GLN CG C 13 34.391 0.00 . . . . . . . 118 GLN CG . 50574 1 902 . 1 . 1 118 118 GLN N N 15 119.622 0.03 . . . . . . . 118 GLN N . 50574 1 903 . 1 . 1 119 119 VAL H H 1 8.259 0.00 . . . . . . . 119 VAL H . 50574 1 904 . 1 . 1 119 119 VAL HA H 1 4.711 0.00 . . . . . . . 119 VAL HA . 50574 1 905 . 1 . 1 119 119 VAL HB H 1 1.762 0.00 . . . . . . . 119 VAL HB . 50574 1 906 . 1 . 1 119 119 VAL CA C 13 61.206 0.12 . . . . . . . 119 VAL CA . 50574 1 907 . 1 . 1 119 119 VAL CB C 13 32.870 0.02 . . . . . . . 119 VAL CB . 50574 1 908 . 1 . 1 119 119 VAL CG1 C 13 22.413 0.00 . . . . . . . 119 VAL CG1 . 50574 1 909 . 1 . 1 119 119 VAL N N 15 124.648 0.05 . . . . . . . 119 VAL N . 50574 1 910 . 1 . 1 120 120 PHE H H 1 9.332 0.00 . . . . . . . 120 PHE H . 50574 1 911 . 1 . 1 120 120 PHE HA H 1 5.072 0.00 . . . . . . . 120 PHE HA . 50574 1 912 . 1 . 1 120 120 PHE HB2 H 1 2.642 0.00 . . . . . . . 120 PHE HB2 . 50574 1 913 . 1 . 1 120 120 PHE HB3 H 1 2.543 0.00 . . . . . . . 120 PHE HB3 . 50574 1 914 . 1 . 1 120 120 PHE CA C 13 56.107 0.09 . . . . . . . 120 PHE CA . 50574 1 915 . 1 . 1 120 120 PHE CB C 13 44.685 0.03 . . . . . . . 120 PHE CB . 50574 1 916 . 1 . 1 120 120 PHE N N 15 124.071 0.03 . . . . . . . 120 PHE N . 50574 1 917 . 1 . 1 121 121 PHE H H 1 8.972 0.00 . . . . . . . 121 PHE H . 50574 1 918 . 1 . 1 121 121 PHE HA H 1 5.071 0.00 . . . . . . . 121 PHE HA . 50574 1 919 . 1 . 1 121 121 PHE HB2 H 1 2.865 0.00 . . . . . . . 121 PHE QB . 50574 1 920 . 1 . 1 121 121 PHE HB3 H 1 2.865 0.00 . . . . . . . 121 PHE QB . 50574 1 921 . 1 . 1 121 121 PHE CA C 13 55.845 0.06 . . . . . . . 121 PHE CA . 50574 1 922 . 1 . 1 121 121 PHE CB C 13 42.656 0.07 . . . . . . . 121 PHE CB . 50574 1 923 . 1 . 1 121 121 PHE N N 15 122.121 0.03 . . . . . . . 121 PHE N . 50574 1 924 . 1 . 1 122 122 LEU H H 1 7.430 0.00 . . . . . . . 122 LEU H . 50574 1 925 . 1 . 1 122 122 LEU HA H 1 4.402 0.00 . . . . . . . 122 LEU HA . 50574 1 926 . 1 . 1 122 122 LEU HB2 H 1 1.674 0.00 . . . . . . . 122 LEU HB2 . 50574 1 927 . 1 . 1 122 122 LEU HB3 H 1 0.531 0.00 . . . . . . . 122 LEU HB3 . 50574 1 928 . 1 . 1 122 122 LEU CA C 13 53.084 0.09 . . . . . . . 122 LEU CA . 50574 1 929 . 1 . 1 122 122 LEU CB C 13 42.788 0.08 . . . . . . . 122 LEU CB . 50574 1 930 . 1 . 1 122 122 LEU CG C 13 26.878 0.00 . . . . . . . 122 LEU CG . 50574 1 931 . 1 . 1 122 122 LEU CD1 C 13 23.391 0.00 . . . . . . . 122 LEU CD1 . 50574 1 932 . 1 . 1 122 122 LEU N N 15 127.204 0.02 . . . . . . . 122 LEU N . 50574 1 933 . 1 . 1 123 123 LYS H H 1 8.907 0.00 . . . . . . . 123 LYS H . 50574 1 934 . 1 . 1 123 123 LYS HA H 1 3.780 0.00 . . . . . . . 123 LYS HA . 50574 1 935 . 1 . 1 123 123 LYS HB2 H 1 1.642 0.00 . . . . . . . 123 LYS QB . 50574 1 936 . 1 . 1 123 123 LYS HB3 H 1 1.642 0.00 . . . . . . . 123 LYS QB . 50574 1 937 . 1 . 1 123 123 LYS CA C 13 58.585 0.04 . . . . . . . 123 LYS CA . 50574 1 938 . 1 . 1 123 123 LYS CB C 13 32.273 0.11 . . . . . . . 123 LYS CB . 50574 1 939 . 1 . 1 123 123 LYS CG C 13 24.475 0.00 . . . . . . . 123 LYS CG . 50574 1 940 . 1 . 1 123 123 LYS CE C 13 41.787 0.00 . . . . . . . 123 LYS CE . 50574 1 941 . 1 . 1 123 123 LYS N N 15 132.342 0.05 . . . . . . . 123 LYS N . 50574 1 942 . 1 . 1 124 124 GLY H H 1 8.832 0.00 . . . . . . . 124 GLY H . 50574 1 943 . 1 . 1 124 124 GLY HA2 H 1 4.100 0.00 . . . . . . . 124 GLY HA2 . 50574 1 944 . 1 . 1 124 124 GLY HA3 H 1 3.263 0.00 . . . . . . . 124 GLY HA3 . 50574 1 945 . 1 . 1 124 124 GLY CA C 13 45.253 0.07 . . . . . . . 124 GLY CA . 50574 1 946 . 1 . 1 124 124 GLY N N 15 116.902 0.02 . . . . . . . 124 GLY N . 50574 1 947 . 1 . 1 125 125 GLY H H 1 7.557 0.00 . . . . . . . 125 GLY H . 50574 1 948 . 1 . 1 125 125 GLY HA2 H 1 4.139 0.00 . . . . . . . 125 GLY HA2 . 50574 1 949 . 1 . 1 125 125 GLY HA3 H 1 3.816 0.00 . . . . . . . 125 GLY HA3 . 50574 1 950 . 1 . 1 125 125 GLY CA C 13 46.377 0.04 . . . . . . . 125 GLY CA . 50574 1 951 . 1 . 1 125 125 GLY N N 15 105.697 0.03 . . . . . . . 125 GLY N . 50574 1 952 . 1 . 1 126 126 TYR H H 1 9.013 0.00 . . . . . . . 126 TYR H . 50574 1 953 . 1 . 1 126 126 TYR HA H 1 3.754 0.00 . . . . . . . 126 TYR HA . 50574 1 954 . 1 . 1 126 126 TYR HB2 H 1 2.902 0.00 . . . . . . . 126 TYR HB2 . 50574 1 955 . 1 . 1 126 126 TYR HB3 H 1 2.743 0.00 . . . . . . . 126 TYR HB3 . 50574 1 956 . 1 . 1 126 126 TYR CA C 13 62.330 0.06 . . . . . . . 126 TYR CA . 50574 1 957 . 1 . 1 126 126 TYR CB C 13 39.225 0.03 . . . . . . . 126 TYR CB . 50574 1 958 . 1 . 1 126 126 TYR N N 15 120.738 0.02 . . . . . . . 126 TYR N . 50574 1 959 . 1 . 1 127 127 GLU H H 1 9.275 0.00 . . . . . . . 127 GLU H . 50574 1 960 . 1 . 1 127 127 GLU HA H 1 3.728 0.00 . . . . . . . 127 GLU HA . 50574 1 961 . 1 . 1 127 127 GLU HB2 H 1 2.180 0.00 . . . . . . . 127 GLU HB2 . 50574 1 962 . 1 . 1 127 127 GLU HB3 H 1 2.084 0.00 . . . . . . . 127 GLU HB3 . 50574 1 963 . 1 . 1 127 127 GLU CA C 13 60.528 0.02 . . . . . . . 127 GLU CA . 50574 1 964 . 1 . 1 127 127 GLU CB C 13 30.310 0.02 . . . . . . . 127 GLU CB . 50574 1 965 . 1 . 1 127 127 GLU CG C 13 37.088 0.00 . . . . . . . 127 GLU CG . 50574 1 966 . 1 . 1 127 127 GLU N N 15 119.495 0.04 . . . . . . . 127 GLU N . 50574 1 967 . 1 . 1 128 128 ALA H H 1 7.171 0.00 . . . . . . . 128 ALA H . 50574 1 968 . 1 . 1 128 128 ALA HA H 1 4.146 0.00 . . . . . . . 128 ALA HA . 50574 1 969 . 1 . 1 128 128 ALA HB1 H 1 1.430 0.00 . . . . . . . 128 ALA MB . 50574 1 970 . 1 . 1 128 128 ALA HB2 H 1 1.430 0.00 . . . . . . . 128 ALA MB . 50574 1 971 . 1 . 1 128 128 ALA HB3 H 1 1.430 0.00 . . . . . . . 128 ALA MB . 50574 1 972 . 1 . 1 128 128 ALA CA C 13 54.264 0.08 . . . . . . . 128 ALA CA . 50574 1 973 . 1 . 1 128 128 ALA CB C 13 18.549 0.07 . . . . . . . 128 ALA CB . 50574 1 974 . 1 . 1 128 128 ALA N N 15 118.588 0.02 . . . . . . . 128 ALA N . 50574 1 975 . 1 . 1 129 129 PHE H H 1 7.818 0.00 . . . . . . . 129 PHE H . 50574 1 976 . 1 . 1 129 129 PHE HA H 1 3.697 0.00 . . . . . . . 129 PHE HA . 50574 1 977 . 1 . 1 129 129 PHE HB2 H 1 2.952 0.00 . . . . . . . 129 PHE HB2 . 50574 1 978 . 1 . 1 129 129 PHE HB3 H 1 2.429 0.00 . . . . . . . 129 PHE HB3 . 50574 1 979 . 1 . 1 129 129 PHE CA C 13 62.675 0.09 . . . . . . . 129 PHE CA . 50574 1 980 . 1 . 1 129 129 PHE CB C 13 40.177 0.03 . . . . . . . 129 PHE CB . 50574 1 981 . 1 . 1 129 129 PHE N N 15 119.900 0.04 . . . . . . . 129 PHE N . 50574 1 982 . 1 . 1 130 130 SER H H 1 8.663 0.00 . . . . . . . 130 SER H . 50574 1 983 . 1 . 1 130 130 SER HA H 1 3.573 0.00 . . . . . . . 130 SER HA . 50574 1 984 . 1 . 1 130 130 SER HB2 H 1 3.332 0.00 . . . . . . . 130 SER HB2 . 50574 1 985 . 1 . 1 130 130 SER HB3 H 1 2.850 0.00 . . . . . . . 130 SER HB3 . 50574 1 986 . 1 . 1 130 130 SER CA C 13 60.324 0.03 . . . . . . . 130 SER CA . 50574 1 987 . 1 . 1 130 130 SER CB C 13 62.367 0.09 . . . . . . . 130 SER CB . 50574 1 988 . 1 . 1 130 130 SER N N 15 113.420 0.02 . . . . . . . 130 SER N . 50574 1 989 . 1 . 1 131 131 ALA H H 1 6.589 0.00 . . . . . . . 131 ALA H . 50574 1 990 . 1 . 1 131 131 ALA HA H 1 4.038 0.00 . . . . . . . 131 ALA HA . 50574 1 991 . 1 . 1 131 131 ALA HB1 H 1 1.340 0.00 . . . . . . . 131 ALA MB . 50574 1 992 . 1 . 1 131 131 ALA HB2 H 1 1.340 0.00 . . . . . . . 131 ALA MB . 50574 1 993 . 1 . 1 131 131 ALA HB3 H 1 1.340 0.00 . . . . . . . 131 ALA MB . 50574 1 994 . 1 . 1 131 131 ALA CA C 13 53.907 0.07 . . . . . . . 131 ALA CA . 50574 1 995 . 1 . 1 131 131 ALA CB C 13 18.684 0.05 . . . . . . . 131 ALA CB . 50574 1 996 . 1 . 1 131 131 ALA N N 15 121.373 0.02 . . . . . . . 131 ALA N . 50574 1 997 . 1 . 1 132 132 SER H H 1 7.022 0.00 . . . . . . . 132 SER H . 50574 1 998 . 1 . 1 132 132 SER HA H 1 4.242 0.00 . . . . . . . 132 SER HA . 50574 1 999 . 1 . 1 132 132 SER HB2 H 1 3.579 0.00 . . . . . . . 132 SER QB . 50574 1 1000 . 1 . 1 132 132 SER HB3 H 1 3.579 0.00 . . . . . . . 132 SER QB . 50574 1 1001 . 1 . 1 132 132 SER CA C 13 60.404 0.04 . . . . . . . 132 SER CA . 50574 1 1002 . 1 . 1 132 132 SER CB C 13 64.724 0.06 . . . . . . . 132 SER CB . 50574 1 1003 . 1 . 1 132 132 SER N N 15 110.978 0.02 . . . . . . . 132 SER N . 50574 1 1004 . 1 . 1 133 133 CYS H H 1 8.091 0.00 . . . . . . . 133 CYS H . 50574 1 1005 . 1 . 1 133 133 CYS CA C 13 55.059 0.03 . . . . . . . 133 CYS CA . 50574 1 1006 . 1 . 1 133 133 CYS CB C 13 27.532 0.00 . . . . . . . 133 CYS CB . 50574 1 1007 . 1 . 1 133 133 CYS N N 15 118.621 0.02 . . . . . . . 133 CYS N . 50574 1 1008 . 1 . 1 134 134 PRO HA H 1 4.075 0.00 . . . . . . . 134 PRO HA . 50574 1 1009 . 1 . 1 134 134 PRO HB2 H 1 2.206 0.00 . . . . . . . 134 PRO HB2 . 50574 1 1010 . 1 . 1 134 134 PRO HB3 H 1 1.822 0.00 . . . . . . . 134 PRO HB3 . 50574 1 1011 . 1 . 1 134 134 PRO CA C 13 65.291 0.05 . . . . . . . 134 PRO CA . 50574 1 1012 . 1 . 1 134 134 PRO CB C 13 30.928 0.04 . . . . . . . 134 PRO CB . 50574 1 1013 . 1 . 1 134 134 PRO CG C 13 27.278 0.00 . . . . . . . 134 PRO CG . 50574 1 1014 . 1 . 1 134 134 PRO CD C 13 50.147 0.00 . . . . . . . 134 PRO CD . 50574 1 1015 . 1 . 1 135 135 GLU H H 1 9.951 0.00 . . . . . . . 135 GLU H . 50574 1 1016 . 1 . 1 135 135 GLU HA H 1 4.180 0.00 . . . . . . . 135 GLU HA . 50574 1 1017 . 1 . 1 135 135 GLU HB2 H 1 1.934 0.00 . . . . . . . 135 GLU QB . 50574 1 1018 . 1 . 1 135 135 GLU HB3 H 1 1.934 0.00 . . . . . . . 135 GLU QB . 50574 1 1019 . 1 . 1 135 135 GLU CA C 13 58.264 0.12 . . . . . . . 135 GLU CA . 50574 1 1020 . 1 . 1 135 135 GLU CB C 13 27.443 0.03 . . . . . . . 135 GLU CB . 50574 1 1021 . 1 . 1 135 135 GLU CG C 13 35.548 0.00 . . . . . . . 135 GLU CG . 50574 1 1022 . 1 . 1 135 135 GLU N N 15 119.650 0.04 . . . . . . . 135 GLU N . 50574 1 1023 . 1 . 1 136 136 LEU H H 1 7.374 0.00 . . . . . . . 136 LEU H . 50574 1 1024 . 1 . 1 136 136 LEU HA H 1 4.593 0.00 . . . . . . . 136 LEU HA . 50574 1 1025 . 1 . 1 136 136 LEU HB2 H 1 1.984 0.00 . . . . . . . 136 LEU HB2 . 50574 1 1026 . 1 . 1 136 136 LEU HB3 H 1 1.772 0.00 . . . . . . . 136 LEU HB3 . 50574 1 1027 . 1 . 1 136 136 LEU CA C 13 54.275 0.11 . . . . . . . 136 LEU CA . 50574 1 1028 . 1 . 1 136 136 LEU CB C 13 42.680 0.09 . . . . . . . 136 LEU CB . 50574 1 1029 . 1 . 1 136 136 LEU CG C 13 27.999 0.21 . . . . . . . 136 LEU CG . 50574 1 1030 . 1 . 1 136 136 LEU CD1 C 13 26.323 0.00 . . . . . . . 136 LEU CD1 . 50574 1 1031 . 1 . 1 136 136 LEU CD2 C 13 22.876 0.00 . . . . . . . 136 LEU CD2 . 50574 1 1032 . 1 . 1 136 136 LEU N N 15 120.560 0.04 . . . . . . . 136 LEU N . 50574 1 1033 . 1 . 1 137 137 CYS H H 1 7.420 0.00 . . . . . . . 137 CYS H . 50574 1 1034 . 1 . 1 137 137 CYS HA H 1 4.902 0.00 . . . . . . . 137 CYS HA . 50574 1 1035 . 1 . 1 137 137 CYS HB2 H 1 2.890 0.00 . . . . . . . 137 CYS HB2 . 50574 1 1036 . 1 . 1 137 137 CYS HB3 H 1 2.807 0.00 . . . . . . . 137 CYS HB3 . 50574 1 1037 . 1 . 1 137 137 CYS CA C 13 58.587 0.05 . . . . . . . 137 CYS CA . 50574 1 1038 . 1 . 1 137 137 CYS CB C 13 29.687 0.08 . . . . . . . 137 CYS CB . 50574 1 1039 . 1 . 1 137 137 CYS N N 15 117.590 0.06 . . . . . . . 137 CYS N . 50574 1 1040 . 1 . 1 138 138 SER H H 1 8.829 0.00 . . . . . . . 138 SER H . 50574 1 1041 . 1 . 1 138 138 SER HA H 1 4.268 0.00 . . . . . . . 138 SER HA . 50574 1 1042 . 1 . 1 138 138 SER HB2 H 1 3.515 0.00 . . . . . . . 138 SER HB2 . 50574 1 1043 . 1 . 1 138 138 SER HB3 H 1 3.260 0.00 . . . . . . . 138 SER HB3 . 50574 1 1044 . 1 . 1 138 138 SER CA C 13 58.520 0.11 . . . . . . . 138 SER CA . 50574 1 1045 . 1 . 1 138 138 SER CB C 13 64.218 0.11 . . . . . . . 138 SER CB . 50574 1 1046 . 1 . 1 138 138 SER N N 15 116.916 0.03 . . . . . . . 138 SER N . 50574 1 1047 . 1 . 1 139 139 LYS H H 1 8.227 0.02 . . . . . . . 139 LYS H . 50574 1 1048 . 1 . 1 139 139 LYS HA H 1 4.235 0.00 . . . . . . . 139 LYS HA . 50574 1 1049 . 1 . 1 139 139 LYS HB2 H 1 1.689 0.00 . . . . . . . 139 LYS HB2 . 50574 1 1050 . 1 . 1 139 139 LYS HB3 H 1 1.546 0.00 . . . . . . . 139 LYS HB3 . 50574 1 1051 . 1 . 1 139 139 LYS CA C 13 55.758 0.02 . . . . . . . 139 LYS CA . 50574 1 1052 . 1 . 1 139 139 LYS CB C 13 33.620 0.07 . . . . . . . 139 LYS CB . 50574 1 1053 . 1 . 1 139 139 LYS CG C 13 24.477 0.00 . . . . . . . 139 LYS CG . 50574 1 1054 . 1 . 1 139 139 LYS CD C 13 28.948 0.00 . . . . . . . 139 LYS CD . 50574 1 1055 . 1 . 1 139 139 LYS CE C 13 42.342 0.00 . . . . . . . 139 LYS CE . 50574 1 1056 . 1 . 1 139 139 LYS N N 15 121.588 0.11 . . . . . . . 139 LYS N . 50574 1 1057 . 1 . 1 140 140 GLN H H 1 8.207 0.00 . . . . . . . 140 GLN H . 50574 1 1058 . 1 . 1 140 140 GLN HA H 1 4.246 0.00 . . . . . . . 140 GLN HA . 50574 1 1059 . 1 . 1 140 140 GLN HB2 H 1 1.960 0.00 . . . . . . . 140 GLN QB . 50574 1 1060 . 1 . 1 140 140 GLN HB3 H 1 1.960 0.00 . . . . . . . 140 GLN QB . 50574 1 1061 . 1 . 1 140 140 GLN CA C 13 55.805 0.02 . . . . . . . 140 GLN CA . 50574 1 1062 . 1 . 1 140 140 GLN CB C 13 29.747 0.03 . . . . . . . 140 GLN CB . 50574 1 1063 . 1 . 1 140 140 GLN CG C 13 33.755 0.00 . . . . . . . 140 GLN CG . 50574 1 1064 . 1 . 1 140 140 GLN N N 15 121.532 0.05 . . . . . . . 140 GLN N . 50574 1 1065 . 1 . 1 141 141 SER H H 1 8.477 0.00 . . . . . . . 141 SER H . 50574 1 1066 . 1 . 1 141 141 SER HA H 1 4.430 0.00 . . . . . . . 141 SER HA . 50574 1 1067 . 1 . 1 141 141 SER HB2 H 1 3.775 0.00 . . . . . . . 141 SER QB . 50574 1 1068 . 1 . 1 141 141 SER HB3 H 1 3.775 0.00 . . . . . . . 141 SER QB . 50574 1 1069 . 1 . 1 141 141 SER CA C 13 58.331 0.00 . . . . . . . 141 SER CA . 50574 1 1070 . 1 . 1 141 141 SER CB C 13 64.003 0.10 . . . . . . . 141 SER CB . 50574 1 1071 . 1 . 1 141 141 SER N N 15 118.563 0.03 . . . . . . . 141 SER N . 50574 1 1072 . 1 . 1 142 142 THR H H 1 7.960 0.01 . . . . . . . 142 THR H . 50574 1 1073 . 1 . 1 142 142 THR CA C 13 58.837 0.04 . . . . . . . 142 THR CA . 50574 1 1074 . 1 . 1 142 142 THR CB C 13 70.379 0.00 . . . . . . . 142 THR CB . 50574 1 1075 . 1 . 1 142 142 THR N N 15 115.585 0.10 . . . . . . . 142 THR N . 50574 1 1076 . 1 . 1 143 143 PRO HA H 1 4.336 0.00 . . . . . . . 143 PRO HA . 50574 1 1077 . 1 . 1 143 143 PRO HB2 H 1 2.227 0.00 . . . . . . . 143 PRO HB2 . 50574 1 1078 . 1 . 1 143 143 PRO HB3 H 1 1.828 0.00 . . . . . . . 143 PRO HB3 . 50574 1 1079 . 1 . 1 143 143 PRO CA C 13 63.435 0.12 . . . . . . . 143 PRO CA . 50574 1 1080 . 1 . 1 143 143 PRO CB C 13 32.119 0.04 . . . . . . . 143 PRO CB . 50574 1 1081 . 1 . 1 143 143 PRO CG C 13 27.464 0.00 . . . . . . . 143 PRO CG . 50574 1 1082 . 1 . 1 143 143 PRO CD C 13 50.975 0.00 . . . . . . . 143 PRO CD . 50574 1 1083 . 1 . 1 144 144 MET H H 1 8.383 0.00 . . . . . . . 144 MET H . 50574 1 1084 . 1 . 1 144 144 MET HA H 1 4.367 0.00 . . . . . . . 144 MET HA . 50574 1 1085 . 1 . 1 144 144 MET HB2 H 1 1.977 0.00 . . . . . . . 144 MET QB . 50574 1 1086 . 1 . 1 144 144 MET HB3 H 1 1.977 0.00 . . . . . . . 144 MET QB . 50574 1 1087 . 1 . 1 144 144 MET CA C 13 55.632 0.09 . . . . . . . 144 MET CA . 50574 1 1088 . 1 . 1 144 144 MET CB C 13 32.953 0.06 . . . . . . . 144 MET CB . 50574 1 1089 . 1 . 1 144 144 MET CG C 13 32.108 0.00 . . . . . . . 144 MET CG . 50574 1 1090 . 1 . 1 144 144 MET N N 15 120.524 0.02 . . . . . . . 144 MET N . 50574 1 1091 . 1 . 1 145 145 GLY H H 1 8.311 0.00 . . . . . . . 145 GLY H . 50574 1 1092 . 1 . 1 145 145 GLY HA2 H 1 3.853 0.00 . . . . . . . 145 GLY QA . 50574 1 1093 . 1 . 1 145 145 GLY HA3 H 1 3.853 0.00 . . . . . . . 145 GLY QA . 50574 1 1094 . 1 . 1 145 145 GLY CA C 13 45.344 0.06 . . . . . . . 145 GLY CA . 50574 1 1095 . 1 . 1 145 145 GLY N N 15 109.884 0.03 . . . . . . . 145 GLY N . 50574 1 1096 . 1 . 1 146 146 LEU H H 1 7.961 0.00 . . . . . . . 146 LEU H . 50574 1 1097 . 1 . 1 146 146 LEU HA H 1 4.303 0.00 . . . . . . . 146 LEU HA . 50574 1 1098 . 1 . 1 146 146 LEU HB2 H 1 1.513 0.00 . . . . . . . 146 LEU QB . 50574 1 1099 . 1 . 1 146 146 LEU HB3 H 1 1.513 0.00 . . . . . . . 146 LEU QB . 50574 1 1100 . 1 . 1 146 146 LEU CA C 13 55.026 0.08 . . . . . . . 146 LEU CA . 50574 1 1101 . 1 . 1 146 146 LEU CB C 13 42.771 0.17 . . . . . . . 146 LEU CB . 50574 1 1102 . 1 . 1 146 146 LEU CG C 13 26.950 0.00 . . . . . . . 146 LEU CG . 50574 1 1103 . 1 . 1 146 146 LEU CD1 C 13 24.825 0.00 . . . . . . . 146 LEU CD1 . 50574 1 1104 . 1 . 1 146 146 LEU CD2 C 13 23.581 0.00 . . . . . . . 146 LEU CD2 . 50574 1 1105 . 1 . 1 146 146 LEU N N 15 121.423 0.02 . . . . . . . 146 LEU N . 50574 1 1106 . 1 . 1 147 147 SER H H 1 8.230 0.00 . . . . . . . 147 SER H . 50574 1 1107 . 1 . 1 147 147 SER HA H 1 4.365 0.00 . . . . . . . 147 SER HA . 50574 1 1108 . 1 . 1 147 147 SER HB2 H 1 3.725 0.00 . . . . . . . 147 SER QB . 50574 1 1109 . 1 . 1 147 147 SER HB3 H 1 3.725 0.00 . . . . . . . 147 SER QB . 50574 1 1110 . 1 . 1 147 147 SER CA C 13 58.002 0.03 . . . . . . . 147 SER CA . 50574 1 1111 . 1 . 1 147 147 SER CB C 13 63.781 0.04 . . . . . . . 147 SER CB . 50574 1 1112 . 1 . 1 147 147 SER N N 15 117.084 0.03 . . . . . . . 147 SER N . 50574 1 1113 . 1 . 1 148 148 LEU H H 1 7.862 0.00 . . . . . . . 148 LEU H . 50574 1 1114 . 1 . 1 148 148 LEU CA C 13 52.531 0.04 . . . . . . . 148 LEU CA . 50574 1 1115 . 1 . 1 148 148 LEU CB C 13 43.855 0.00 . . . . . . . 148 LEU CB . 50574 1 1116 . 1 . 1 148 148 LEU N N 15 123.974 0.03 . . . . . . . 148 LEU N . 50574 1 stop_ save_