data_19234 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19234 _Entry.Title ; 1H, 13C, 15N assignments for P. yoelii Merozoite Surface Protein 1, E28K variant ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-05-08 _Entry.Accession_date 2013-05-08 _Entry.Last_release_date 2015-08-04 _Entry.Original_release_date 2015-08-04 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Rachel Curd . D. . 19234 2 Berry Birdsall . . . 19234 3 Madhusudan Kadekoppala . . . 19234 4 Solabomi Ogun . A. . 19234 5 Geoff Kelly . . . 19234 6 Anthony Holder . A. . 19234 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'National Institute For Medical Research' . 19234 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19234 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 287 19234 '15N chemical shifts' 104 19234 '1H chemical shifts' 606 19234 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2015-08-04 . original BMRB . 19234 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19233 msp1 19234 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19234 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24403012 _Citation.Full_citation . _Citation.Title ; The structure of Plasmodium yoelii merozoite surface protein 119, antibody specificity and implications for malaria vaccine design ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Open Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 4 _Citation.Journal_issue 1 _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 130091 _Citation.Page_last 130091 _Citation.Year 2014 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Rachel Curd . D. . 19234 1 2 Berry Birdsall . . . 19234 1 3 Madhusudan Kadekoppala . . . 19234 1 4 Solabomi Ogun . A. . 19234 1 5 Geoff Kelly . . . 19234 1 6 Anthony Holder . A. . 19234 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19234 _Assembly.ID 1 _Assembly.Name MSP1-E28K _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 10719.47 _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 MSP1-E28K 1 $MSP1-E28K A . yes native no no . . . 19234 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MSP1-E28K _Entity.Sf_category entity _Entity.Sf_framecode MSP1-E28K _Entity.Entry_ID 19234 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name MSP1-E28K _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 ; GVDPKHVCVDTRDIPKNAGC FRDDDGTKEWRCLLGYKKGE GNTCVENNNPTCDINNGGCD PTASCQNAESTENSKKIICT CKEPTPNAYYEGVFCSSSS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 99 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 19233 . MSP1 . . . . . 100.00 99 98.99 100.00 7.51e-64 . . . . 19234 1 2 no PDB 2MGP . "Structure Of Plasmodium Yoelii Merozoite Surface Protein 1 - C- Terminal Domain" . . . . . 100.00 99 98.99 100.00 7.51e-64 . . . . 19234 1 3 no PDB 2MGR . "Structure Of Plasmodium Yoelii Merozoite Surface Protein 1 - C- Terminal Domain, E28k Mutant" . . . . . 100.00 99 100.00 100.00 2.24e-64 . . . . 19234 1 4 no EMBL CDU17703 . "merozoite surface protein 1 [Plasmodium yoelii]" . . . . . 100.00 1772 97.98 100.00 9.53e-62 . . . . 19234 1 5 no EMBL CDZ11970 . "merozoite surface protein 1 [Plasmodium yoelii]" . . . . . 100.00 1772 97.98 100.00 9.53e-62 . . . . 19234 1 6 no GB AAA29702 . "major merozoite surface antigen [Plasmodium yoelii]" . . . . . 100.00 1772 97.98 100.00 9.53e-62 . . . . 19234 1 7 no GB AAA29762 . "merozoite surface antigen PY230, partial [Plasmodium yoelii]" . . . . . 100.00 680 97.98 100.00 7.28e-63 . . . . 19234 1 8 no GB EAA17822 . "merozoite surface protein 1 precursor [Plasmodium yoelii yoelii]" . . . . . 100.00 1772 97.98 100.00 9.53e-62 . . . . 19234 1 9 no REF XP_726257 . "merozoite surface protein 1 precursor [Plasmodium yoelii yoelii 17XNL]" . . . . . 100.00 1772 97.98 100.00 9.53e-62 . . . . 19234 1 10 no SP P13828 . "RecName: Full=Merozoite surface protein 1; AltName: Full=230 kDa merozoite surface antigen; Short=Py230; AltName: Full=Merozoit" . . . . . 100.00 1772 97.98 100.00 9.53e-62 . . . . 19234 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 GLY . 19234 1 2 2 VAL . 19234 1 3 3 ASP . 19234 1 4 4 PRO . 19234 1 5 5 LYS . 19234 1 6 6 HIS . 19234 1 7 7 VAL . 19234 1 8 8 CYS . 19234 1 9 9 VAL . 19234 1 10 10 ASP . 19234 1 11 11 THR . 19234 1 12 12 ARG . 19234 1 13 13 ASP . 19234 1 14 14 ILE . 19234 1 15 15 PRO . 19234 1 16 16 LYS . 19234 1 17 17 ASN . 19234 1 18 18 ALA . 19234 1 19 19 GLY . 19234 1 20 20 CYS . 19234 1 21 21 PHE . 19234 1 22 22 ARG . 19234 1 23 23 ASP . 19234 1 24 24 ASP . 19234 1 25 25 ASP . 19234 1 26 26 GLY . 19234 1 27 27 THR . 19234 1 28 28 LYS . 19234 1 29 29 GLU . 19234 1 30 30 TRP . 19234 1 31 31 ARG . 19234 1 32 32 CYS . 19234 1 33 33 LEU . 19234 1 34 34 LEU . 19234 1 35 35 GLY . 19234 1 36 36 TYR . 19234 1 37 37 LYS . 19234 1 38 38 LYS . 19234 1 39 39 GLY . 19234 1 40 40 GLU . 19234 1 41 41 GLY . 19234 1 42 42 ASN . 19234 1 43 43 THR . 19234 1 44 44 CYS . 19234 1 45 45 VAL . 19234 1 46 46 GLU . 19234 1 47 47 ASN . 19234 1 48 48 ASN . 19234 1 49 49 ASN . 19234 1 50 50 PRO . 19234 1 51 51 THR . 19234 1 52 52 CYS . 19234 1 53 53 ASP . 19234 1 54 54 ILE . 19234 1 55 55 ASN . 19234 1 56 56 ASN . 19234 1 57 57 GLY . 19234 1 58 58 GLY . 19234 1 59 59 CYS . 19234 1 60 60 ASP . 19234 1 61 61 PRO . 19234 1 62 62 THR . 19234 1 63 63 ALA . 19234 1 64 64 SER . 19234 1 65 65 CYS . 19234 1 66 66 GLN . 19234 1 67 67 ASN . 19234 1 68 68 ALA . 19234 1 69 69 GLU . 19234 1 70 70 SER . 19234 1 71 71 THR . 19234 1 72 72 GLU . 19234 1 73 73 ASN . 19234 1 74 74 SER . 19234 1 75 75 LYS . 19234 1 76 76 LYS . 19234 1 77 77 ILE . 19234 1 78 78 ILE . 19234 1 79 79 CYS . 19234 1 80 80 THR . 19234 1 81 81 CYS . 19234 1 82 82 LYS . 19234 1 83 83 GLU . 19234 1 84 84 PRO . 19234 1 85 85 THR . 19234 1 86 86 PRO . 19234 1 87 87 ASN . 19234 1 88 88 ALA . 19234 1 89 89 TYR . 19234 1 90 90 TYR . 19234 1 91 91 GLU . 19234 1 92 92 GLY . 19234 1 93 93 VAL . 19234 1 94 94 PHE . 19234 1 95 95 CYS . 19234 1 96 96 SER . 19234 1 97 97 SER . 19234 1 98 98 SER . 19234 1 99 99 SER . 19234 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 19234 1 . VAL 2 2 19234 1 . ASP 3 3 19234 1 . PRO 4 4 19234 1 . LYS 5 5 19234 1 . HIS 6 6 19234 1 . VAL 7 7 19234 1 . CYS 8 8 19234 1 . VAL 9 9 19234 1 . ASP 10 10 19234 1 . THR 11 11 19234 1 . ARG 12 12 19234 1 . ASP 13 13 19234 1 . ILE 14 14 19234 1 . PRO 15 15 19234 1 . LYS 16 16 19234 1 . ASN 17 17 19234 1 . ALA 18 18 19234 1 . GLY 19 19 19234 1 . CYS 20 20 19234 1 . PHE 21 21 19234 1 . ARG 22 22 19234 1 . ASP 23 23 19234 1 . ASP 24 24 19234 1 . ASP 25 25 19234 1 . GLY 26 26 19234 1 . THR 27 27 19234 1 . LYS 28 28 19234 1 . GLU 29 29 19234 1 . TRP 30 30 19234 1 . ARG 31 31 19234 1 . CYS 32 32 19234 1 . LEU 33 33 19234 1 . LEU 34 34 19234 1 . GLY 35 35 19234 1 . TYR 36 36 19234 1 . LYS 37 37 19234 1 . LYS 38 38 19234 1 . GLY 39 39 19234 1 . GLU 40 40 19234 1 . GLY 41 41 19234 1 . ASN 42 42 19234 1 . THR 43 43 19234 1 . CYS 44 44 19234 1 . VAL 45 45 19234 1 . GLU 46 46 19234 1 . ASN 47 47 19234 1 . ASN 48 48 19234 1 . ASN 49 49 19234 1 . PRO 50 50 19234 1 . THR 51 51 19234 1 . CYS 52 52 19234 1 . ASP 53 53 19234 1 . ILE 54 54 19234 1 . ASN 55 55 19234 1 . ASN 56 56 19234 1 . GLY 57 57 19234 1 . GLY 58 58 19234 1 . CYS 59 59 19234 1 . ASP 60 60 19234 1 . PRO 61 61 19234 1 . THR 62 62 19234 1 . ALA 63 63 19234 1 . SER 64 64 19234 1 . CYS 65 65 19234 1 . GLN 66 66 19234 1 . ASN 67 67 19234 1 . ALA 68 68 19234 1 . GLU 69 69 19234 1 . SER 70 70 19234 1 . THR 71 71 19234 1 . GLU 72 72 19234 1 . ASN 73 73 19234 1 . SER 74 74 19234 1 . LYS 75 75 19234 1 . LYS 76 76 19234 1 . ILE 77 77 19234 1 . ILE 78 78 19234 1 . CYS 79 79 19234 1 . THR 80 80 19234 1 . CYS 81 81 19234 1 . LYS 82 82 19234 1 . GLU 83 83 19234 1 . PRO 84 84 19234 1 . THR 85 85 19234 1 . PRO 86 86 19234 1 . ASN 87 87 19234 1 . ALA 88 88 19234 1 . TYR 89 89 19234 1 . TYR 90 90 19234 1 . GLU 91 91 19234 1 . GLY 92 92 19234 1 . VAL 93 93 19234 1 . PHE 94 94 19234 1 . CYS 95 95 19234 1 . SER 96 96 19234 1 . SER 97 97 19234 1 . SER 98 98 19234 1 . SER 99 99 19234 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 19234 _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 $MSP1-E28K . 5861 organism . 'Plasmodium Yoelii' Apicomplexans . . Eukaryota . Plasmodium Yoelii . . . . . . . . . . . . . 19234 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 19234 _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 $MSP1-E28K . 'recombinant technology' 'Pichia pastoris' . . . Pichia pastoris . . . . . . pPICK9K . . . 19234 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19234 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1mM 13C/15N pYoelii MSP1 25mM KPi 50mM Kcl ph6.5 ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 MSP1-E28K '[U-99% 13C; U-99% 15N]' . . 1 $MSP1-E28K . . 1.0 . . mM . . . . 19234 1 2 'potassium chloride' 'natural abundance' . . . . . . 50.0 . . mM . . . . 19234 1 3 'potassium phosphate' 'natural abundance' . . . . . . 25.0 . . mM . . . . 19234 1 4 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19234 1 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 19234 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 19234 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH* 6.5 . pH 19234 1 temperature 273 . K 19234 1 stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 19234 _Software.ID 1 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 19234 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19234 1 'data analysis' 19234 1 'peak picking' 19234 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19234 _Software.ID 2 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19234 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19234 2 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 19234 _Software.ID 3 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 19234 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19234 3 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19234 _Software.ID 4 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19234 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19234 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19234 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19234 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 19234 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 19234 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19234 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 800 . . . 19234 1 2 spectrometer_2 Varian INOVA . 600 . . . 19234 1 3 spectrometer_3 Bruker Avance . 700 . . . 19234 1 4 spectrometer_4 Bruker Avance . 600 . . . 19234 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 19234 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19234 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 19234 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 19234 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19234 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19234 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 19234 1 7 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19234 1 8 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19234 1 9 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19234 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19234 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19234 1 H 1 water protons . . . . ppm 4.771 internal direct 1.0 . . . . . . . . . 19234 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19234 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19234 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.025 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 19234 1 3 '3D HNCO' . . . 19234 1 4 '3D HNCACB' . . . 19234 1 5 '3D CBCA(CO)NH' . . . 19234 1 6 '3D HCCH-TOCSY' . . . 19234 1 7 '3D H(CCO)NH' . . . 19234 1 8 '3D 1H-13C NOESY aliphatic' . . . 19234 1 9 '3D 1H-13C NOESY aromatic' . . . 19234 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY H H 1 8.454 0.025 . 1 . . . . 1 G HN . 19234 1 2 . 1 1 1 1 GLY HA2 H 1 3.906 0.025 . 2 . . . . 1 G HA2 . 19234 1 3 . 1 1 1 1 GLY HA3 H 1 3.937 0.025 . 2 . . . . 1 G HA3 . 19234 1 4 . 1 1 1 1 GLY CA C 13 45.228 0.10 . 1 . . . . 1 G CA . 19234 1 5 . 1 1 1 1 GLY N N 15 110.312 0.10 . 1 . . . . 1 G N . 19234 1 6 . 1 1 2 2 VAL H H 1 7.919 0.025 . 1 . . . . 2 V HN . 19234 1 7 . 1 1 2 2 VAL HA H 1 4.017 0.025 . 1 . . . . 2 V HA . 19234 1 8 . 1 1 2 2 VAL HB H 1 1.962 0.025 . 1 . . . . 2 V HB . 19234 1 9 . 1 1 2 2 VAL HG11 H 1 0.792 0.025 . 2 . . . . 2 V HG1 . 19234 1 10 . 1 1 2 2 VAL HG12 H 1 0.792 0.025 . 2 . . . . 2 V HG1 . 19234 1 11 . 1 1 2 2 VAL HG13 H 1 0.792 0.025 . 2 . . . . 2 V HG1 . 19234 1 12 . 1 1 2 2 VAL HG21 H 1 0.815 0.025 . 2 . . . . 2 V HG2 . 19234 1 13 . 1 1 2 2 VAL HG22 H 1 0.815 0.025 . 2 . . . . 2 V HG2 . 19234 1 14 . 1 1 2 2 VAL HG23 H 1 0.815 0.025 . 2 . . . . 2 V HG2 . 19234 1 15 . 1 1 2 2 VAL CA C 13 62.140 0.10 . 1 . . . . 2 V CA . 19234 1 16 . 1 1 2 2 VAL CB C 13 32.905 0.10 . 1 . . . . 2 V CB . 19234 1 17 . 1 1 2 2 VAL CG1 C 13 21.190 0.10 . 1 . . . . 2 V CG1 . 19234 1 18 . 1 1 2 2 VAL CG2 C 13 20.158 0.10 . 1 . . . . 2 V CG2 . 19234 1 19 . 1 1 2 2 VAL N N 15 118.607 0.10 . 1 . . . . 2 V N . 19234 1 20 . 1 1 3 3 ASP H H 1 8.341 0.025 . 1 . . . . 3 D HN . 19234 1 21 . 1 1 3 3 ASP HA H 1 4.886 0.025 . 1 . . . . 3 D HA . 19234 1 22 . 1 1 3 3 ASP HB2 H 1 2.867 0.025 . 2 . . . . 3 D HB2 . 19234 1 23 . 1 1 3 3 ASP HB3 H 1 2.655 0.025 . 2 . . . . 3 D HB3 . 19234 1 24 . 1 1 3 3 ASP CA C 13 51.778 0.10 . 1 . . . . 3 D CA . 19234 1 25 . 1 1 3 3 ASP CB C 13 42.025 0.10 . 1 . . . . 3 D CB . 19234 1 26 . 1 1 3 3 ASP N N 15 126.405 0.10 . 1 . . . . 3 D N . 19234 1 27 . 1 1 4 4 PRO HA H 1 3.740 0.025 . 1 . . . . 4 P HA . 19234 1 28 . 1 1 4 4 PRO HB2 H 1 1.640 0.025 . 2 . . . . 4 P HB2 . 19234 1 29 . 1 1 4 4 PRO HB3 H 1 2.066 0.025 . 2 . . . . 4 P HB3 . 19234 1 30 . 1 1 4 4 PRO HG2 H 1 2.099 0.025 . 2 . . . . 4 P HG2 . 19234 1 31 . 1 1 4 4 PRO HG3 H 1 1.797 0.025 . 2 . . . . 4 P HG3 . 19234 1 32 . 1 1 4 4 PRO HD2 H 1 3.142 0.025 . 2 . . . . 4 P HD2 . 19234 1 33 . 1 1 4 4 PRO HD3 H 1 3.610 0.025 . 2 . . . . 4 P HD3 . 19234 1 34 . 1 1 4 4 PRO CA C 13 64.940 0.10 . 1 . . . . 4 P CA . 19234 1 35 . 1 1 4 4 PRO CB C 13 33.067 0.10 . 1 . . . . 4 P CB . 19234 1 36 . 1 1 4 4 PRO CG C 13 26.247 0.10 . 1 . . . . 4 P CG . 19234 1 37 . 1 1 4 4 PRO CD C 13 49.923 0.10 . 1 . . . . 4 P CD . 19234 1 38 . 1 1 5 5 LYS H H 1 8.459 0.025 . 1 . . . . 5 K HN . 19234 1 39 . 1 1 5 5 LYS HA H 1 3.998 0.025 . 1 . . . . 5 K HA . 19234 1 40 . 1 1 5 5 LYS HB2 H 1 1.349 0.025 . 2 . . . . 5 K HB2 . 19234 1 41 . 1 1 5 5 LYS HB3 H 1 1.559 0.025 . 2 . . . . 5 K HB3 . 19234 1 42 . 1 1 5 5 LYS HG2 H 1 1.011 0.025 . 2 . . . . 5 K HG2 . 19234 1 43 . 1 1 5 5 LYS HG3 H 1 0.780 0.025 . 2 . . . . 5 K HG3 . 19234 1 44 . 1 1 5 5 LYS HD2 H 1 1.517 0.025 . 2 . . . . 5 K HD2 . 19234 1 45 . 1 1 5 5 LYS HD3 H 1 1.517 0.025 . 2 . . . . 5 K HD3 . 19234 1 46 . 1 1 5 5 LYS HE2 H 1 2.843 0.025 . 2 . . . . 5 K HE2 . 19234 1 47 . 1 1 5 5 LYS HE3 H 1 2.841 0.025 . 2 . . . . 5 K HE3 . 19234 1 48 . 1 1 5 5 LYS CA C 13 58.117 0.10 . 1 . . . . 5 K CA . 19234 1 49 . 1 1 5 5 LYS CB C 13 31.974 0.10 . 1 . . . . 5 K CB . 19234 1 50 . 1 1 5 5 LYS CG C 13 24.219 0.10 . 1 . . . . 5 K CG . 19234 1 51 . 1 1 5 5 LYS CD C 13 29.086 0.10 . 1 . . . . 5 K CD . 19234 1 52 . 1 1 5 5 LYS CE C 13 41.860 0.10 . 1 . . . . 5 K CE . 19234 1 53 . 1 1 5 5 LYS N N 15 119.198 0.10 . 1 . . . . 5 K N . 19234 1 54 . 1 1 6 6 HIS H H 1 7.911 0.025 . 1 . . . . 6 H HN . 19234 1 55 . 1 1 6 6 HIS HA H 1 4.961 0.025 . 1 . . . . 6 H HA . 19234 1 56 . 1 1 6 6 HIS HB2 H 1 2.567 0.025 . 2 . . . . 6 H HB2 . 19234 1 57 . 1 1 6 6 HIS HB3 H 1 2.239 0.025 . 2 . . . . 6 H HB3 . 19234 1 58 . 1 1 6 6 HIS HD2 H 1 7.374 0.025 . 1 . . . . 6 H HD2 . 19234 1 59 . 1 1 6 6 HIS HE1 H 1 8.814 0.025 . 1 . . . . 6 H HE1 . 19234 1 60 . 1 1 6 6 HIS CA C 13 54.675 0.10 . 1 . . . . 6 H CA . 19234 1 61 . 1 1 6 6 HIS CB C 13 28.584 0.10 . 1 . . . . 6 H CB . 19234 1 62 . 1 1 6 6 HIS CD2 C 13 121.127 0.10 . 1 . . . . 6 H CD2 . 19234 1 63 . 1 1 6 6 HIS CE1 C 13 106.768 0.10 . 1 . . . . 6 H CE1 . 19234 1 64 . 1 1 6 6 HIS N N 15 113.070 0.10 . 1 . . . . 6 H N . 19234 1 65 . 1 1 7 7 VAL H H 1 7.285 0.025 . 1 . . . . 7 V HN . 19234 1 66 . 1 1 7 7 VAL HA H 1 4.092 0.025 . 1 . . . . 7 V HA . 19234 1 67 . 1 1 7 7 VAL HB H 1 2.003 0.025 . 1 . . . . 7 V HB . 19234 1 68 . 1 1 7 7 VAL HG11 H 1 1.023 0.025 . 2 . . . . 7 V HG1 . 19234 1 69 . 1 1 7 7 VAL HG12 H 1 1.023 0.025 . 2 . . . . 7 V HG1 . 19234 1 70 . 1 1 7 7 VAL HG13 H 1 1.023 0.025 . 2 . . . . 7 V HG1 . 19234 1 71 . 1 1 7 7 VAL HG21 H 1 0.927 0.025 . 2 . . . . 7 V HG2 . 19234 1 72 . 1 1 7 7 VAL HG22 H 1 0.927 0.025 . 2 . . . . 7 V HG2 . 19234 1 73 . 1 1 7 7 VAL HG23 H 1 0.927 0.025 . 2 . . . . 7 V HG2 . 19234 1 74 . 1 1 7 7 VAL CA C 13 62.170 0.10 . 1 . . . . 7 V CA . 19234 1 75 . 1 1 7 7 VAL CB C 13 32.807 0.10 . 1 . . . . 7 V CB . 19234 1 76 . 1 1 7 7 VAL CG1 C 13 21.985 0.10 . 1 . . . . 7 V CG1 . 19234 1 77 . 1 1 7 7 VAL CG2 C 13 20.818 0.10 . 1 . . . . 7 V CG2 . 19234 1 78 . 1 1 7 7 VAL N N 15 122.282 0.10 . 1 . . . . 7 V N . 19234 1 79 . 1 1 8 8 CYS H H 1 9.204 0.025 . 1 . . . . 8 C HN . 19234 1 80 . 1 1 8 8 CYS HA H 1 4.328 0.025 . 1 . . . . 8 C HA . 19234 1 81 . 1 1 8 8 CYS HB2 H 1 3.025 0.025 . 2 . . . . 8 C HB2 . 19234 1 82 . 1 1 8 8 CYS HB3 H 1 3.307 0.025 . 2 . . . . 8 C HB3 . 19234 1 83 . 1 1 8 8 CYS CA C 13 54.583 0.10 . 1 . . . . 8 C CA . 19234 1 84 . 1 1 8 8 CYS CB C 13 41.450 0.10 . 1 . . . . 8 C CB . 19234 1 85 . 1 1 8 8 CYS N N 15 125.299 0.10 . 1 . . . . 8 C N . 19234 1 86 . 1 1 9 9 VAL H H 1 8.487 0.025 . 1 . . . . 9 V HN . 19234 1 87 . 1 1 9 9 VAL HA H 1 3.926 0.025 . 1 . . . . 9 V HA . 19234 1 88 . 1 1 9 9 VAL HB H 1 2.117 0.025 . 1 . . . . 9 V HB . 19234 1 89 . 1 1 9 9 VAL HG11 H 1 0.950 0.025 . 2 . . . . 9 V HG1 . 19234 1 90 . 1 1 9 9 VAL HG12 H 1 0.950 0.025 . 2 . . . . 9 V HG1 . 19234 1 91 . 1 1 9 9 VAL HG13 H 1 0.950 0.025 . 2 . . . . 9 V HG1 . 19234 1 92 . 1 1 9 9 VAL HG21 H 1 0.951 0.025 . 2 . . . . 9 V HG2 . 19234 1 93 . 1 1 9 9 VAL HG22 H 1 0.951 0.025 . 2 . . . . 9 V HG2 . 19234 1 94 . 1 1 9 9 VAL HG23 H 1 0.951 0.025 . 2 . . . . 9 V HG2 . 19234 1 95 . 1 1 9 9 VAL CA C 13 64.265 0.10 . 1 . . . . 9 V CA . 19234 1 96 . 1 1 9 9 VAL CB C 13 32.046 0.10 . 1 . . . . 9 V CB . 19234 1 97 . 1 1 9 9 VAL CG1 C 13 20.997 0.10 . 1 . . . . 9 V CG1 . 19234 1 98 . 1 1 9 9 VAL CG2 C 13 21.054 0.10 . 1 . . . . 9 V CG2 . 19234 1 99 . 1 1 9 9 VAL N N 15 123.365 0.10 . 1 . . . . 9 V N . 19234 1 100 . 1 1 10 10 ASP H H 1 8.050 0.025 . 1 . . . . 10 D HN . 19234 1 101 . 1 1 10 10 ASP HA H 1 4.842 0.025 . 1 . . . . 10 D HA . 19234 1 102 . 1 1 10 10 ASP HB2 H 1 2.655 0.025 . 2 . . . . 10 D HB2 . 19234 1 103 . 1 1 10 10 ASP HB3 H 1 2.825 0.025 . 2 . . . . 10 D HB3 . 19234 1 104 . 1 1 10 10 ASP CA C 13 53.435 0.10 . 1 . . . . 10 D CA . 19234 1 105 . 1 1 10 10 ASP CB C 13 42.006 0.10 . 1 . . . . 10 D CB . 19234 1 106 . 1 1 10 10 ASP N N 15 120.126 0.10 . 1 . . . . 10 D N . 19234 1 107 . 1 1 11 11 THR H H 1 8.547 0.025 . 1 . . . . 11 T HN . 19234 1 108 . 1 1 11 11 THR HA H 1 4.465 0.025 . 1 . . . . 11 T HA . 19234 1 109 . 1 1 11 11 THR HB H 1 4.563 0.025 . 1 . . . . 11 T HB . 19234 1 110 . 1 1 11 11 THR HG21 H 1 1.155 0.025 . 1 . . . . 11 T HG2 . 19234 1 111 . 1 1 11 11 THR HG22 H 1 1.155 0.025 . 1 . . . . 11 T HG2 . 19234 1 112 . 1 1 11 11 THR HG23 H 1 1.155 0.025 . 1 . . . . 11 T HG2 . 19234 1 113 . 1 1 11 11 THR CA C 13 60.354 0.10 . 1 . . . . 11 T CA . 19234 1 114 . 1 1 11 11 THR CB C 13 68.415 0.10 . 1 . . . . 11 T CB . 19234 1 115 . 1 1 11 11 THR CG2 C 13 21.891 0.10 . 1 . . . . 11 T CG2 . 19234 1 116 . 1 1 11 11 THR N N 15 113.904 0.10 . 1 . . . . 11 T N . 19234 1 117 . 1 1 12 12 ARG H H 1 8.264 0.025 . 1 . . . . 12 R HN . 19234 1 118 . 1 1 12 12 ARG HA H 1 4.064 0.025 . 1 . . . . 12 R HA . 19234 1 119 . 1 1 12 12 ARG HB2 H 1 1.869 0.025 . 2 . . . . 12 R HB2 . 19234 1 120 . 1 1 12 12 ARG HB3 H 1 1.786 0.025 . 2 . . . . 12 R HB3 . 19234 1 121 . 1 1 12 12 ARG HG2 H 1 1.666 0.025 . 2 . . . . 12 R HG2 . 19234 1 122 . 1 1 12 12 ARG HG3 H 1 1.711 0.025 . 2 . . . . 12 R HG3 . 19234 1 123 . 1 1 12 12 ARG HD2 H 1 3.208 0.025 . 2 . . . . 12 R HD2 . 19234 1 124 . 1 1 12 12 ARG HD3 H 1 3.228 0.025 . 2 . . . . 12 R HD3 . 19234 1 125 . 1 1 12 12 ARG CA C 13 58.839 0.10 . 1 . . . . 12 R CA . 19234 1 126 . 1 1 12 12 ARG CB C 13 29.703 0.10 . 1 . . . . 12 R CB . 19234 1 127 . 1 1 12 12 ARG CG C 13 27.059 0.10 . 1 . . . . 12 R CG . 19234 1 128 . 1 1 12 12 ARG CD C 13 43.386 0.10 . 1 . . . . 12 R CD . 19234 1 129 . 1 1 12 12 ARG N N 15 123.422 0.10 . 1 . . . . 12 R N . 19234 1 130 . 1 1 13 13 ASP H H 1 8.612 0.025 . 1 . . . . 13 D HN . 19234 1 131 . 1 1 13 13 ASP HA H 1 4.408 0.025 . 1 . . . . 13 D HA . 19234 1 132 . 1 1 13 13 ASP HB2 H 1 2.760 0.025 . 2 . . . . 13 D HB2 . 19234 1 133 . 1 1 13 13 ASP HB3 H 1 2.669 0.025 . 2 . . . . 13 D HB3 . 19234 1 134 . 1 1 13 13 ASP CA C 13 53.722 0.10 . 1 . . . . 13 D CA . 19234 1 135 . 1 1 13 13 ASP CB C 13 39.832 0.10 . 1 . . . . 13 D CB . 19234 1 136 . 1 1 13 13 ASP N N 15 115.753 0.10 . 1 . . . . 13 D N . 19234 1 137 . 1 1 14 14 ILE H H 1 7.227 0.025 . 1 . . . . 14 I HN . 19234 1 138 . 1 1 14 14 ILE HA H 1 3.970 0.025 . 1 . . . . 14 I HA . 19234 1 139 . 1 1 14 14 ILE HB H 1 1.976 0.025 . 1 . . . . 14 I HB . 19234 1 140 . 1 1 14 14 ILE HG12 H 1 1.371 0.025 . 2 . . . . 14 I HG12 . 19234 1 141 . 1 1 14 14 ILE HG13 H 1 1.106 0.025 . 2 . . . . 14 I HG13 . 19234 1 142 . 1 1 14 14 ILE HG21 H 1 0.669 0.025 . 1 . . . . 14 I HG2 . 19234 1 143 . 1 1 14 14 ILE HG22 H 1 0.669 0.025 . 1 . . . . 14 I HG2 . 19234 1 144 . 1 1 14 14 ILE HG23 H 1 0.669 0.025 . 1 . . . . 14 I HG2 . 19234 1 145 . 1 1 14 14 ILE HD11 H 1 0.700 0.025 . 1 . . . . 14 I HD1 . 19234 1 146 . 1 1 14 14 ILE HD12 H 1 0.700 0.025 . 1 . . . . 14 I HD1 . 19234 1 147 . 1 1 14 14 ILE HD13 H 1 0.700 0.025 . 1 . . . . 14 I HD1 . 19234 1 148 . 1 1 14 14 ILE CA C 13 55.842 0.10 . 1 . . . . 14 I CA . 19234 1 149 . 1 1 14 14 ILE CB C 13 36.441 0.10 . 1 . . . . 14 I CB . 19234 1 150 . 1 1 14 14 ILE CG1 C 13 26.340 0.10 . 1 . . . . 14 I CG1 . 19234 1 151 . 1 1 14 14 ILE CG2 C 13 16.113 0.10 . 1 . . . . 14 I CG2 . 19234 1 152 . 1 1 14 14 ILE CD1 C 13 10.793 0.10 . 1 . . . . 14 I CD1 . 19234 1 153 . 1 1 14 14 ILE N N 15 121.058 0.10 . 1 . . . . 14 I N . 19234 1 154 . 1 1 15 15 PRO HA H 1 4.010 0.025 . 1 . . . . 15 P HA . 19234 1 155 . 1 1 15 15 PRO HB2 H 1 1.928 0.025 . 2 . . . . 15 P HB2 . 19234 1 156 . 1 1 15 15 PRO HB3 H 1 1.047 0.025 . 2 . . . . 15 P HB3 . 19234 1 157 . 1 1 15 15 PRO HG2 H 1 -0.221 0.025 . 2 . . . . 15 P HG2 . 19234 1 158 . 1 1 15 15 PRO HG3 H 1 0.729 0.025 . 2 . . . . 15 P HG3 . 19234 1 159 . 1 1 15 15 PRO HD2 H 1 1.713 0.025 . 2 . . . . 15 P HD2 . 19234 1 160 . 1 1 15 15 PRO HD3 H 1 2.555 0.025 . 2 . . . . 15 P HD3 . 19234 1 161 . 1 1 15 15 PRO CA C 13 62.537 0.10 . 1 . . . . 15 P CA . 19234 1 162 . 1 1 15 15 PRO CB C 13 31.977 0.10 . 1 . . . . 15 P CB . 19234 1 163 . 1 1 15 15 PRO CG C 13 26.187 0.10 . 1 . . . . 15 P CG . 19234 1 164 . 1 1 15 15 PRO CD C 13 50.161 0.10 . 1 . . . . 15 P CD . 19234 1 165 . 1 1 16 16 LYS H H 1 7.921 0.025 . 1 . . . . 16 K HN . 19234 1 166 . 1 1 16 16 LYS HA H 1 3.975 0.025 . 1 . . . . 16 K HA . 19234 1 167 . 1 1 16 16 LYS HB2 H 1 1.666 0.025 . 2 . . . . 16 K HB2 . 19234 1 168 . 1 1 16 16 LYS HB3 H 1 1.588 0.025 . 2 . . . . 16 K HB3 . 19234 1 169 . 1 1 16 16 LYS HG2 H 1 1.402 0.025 . 2 . . . . 16 K HG2 . 19234 1 170 . 1 1 16 16 LYS HG3 H 1 1.461 0.025 . 2 . . . . 16 K HG3 . 19234 1 171 . 1 1 16 16 LYS HD2 H 1 1.672 0.025 . 2 . . . . 16 K HD2 . 19234 1 172 . 1 1 16 16 LYS HD3 H 1 1.670 0.025 . 2 . . . . 16 K HD3 . 19234 1 173 . 1 1 16 16 LYS HE2 H 1 2.997 0.025 . 2 . . . . 16 K HE2 . 19234 1 174 . 1 1 16 16 LYS HE3 H 1 2.999 0.025 . 2 . . . . 16 K HE3 . 19234 1 175 . 1 1 16 16 LYS CA C 13 56.844 0.10 . 1 . . . . 16 K CA . 19234 1 176 . 1 1 16 16 LYS CB C 13 32.152 0.10 . 1 . . . . 16 K CB . 19234 1 177 . 1 1 16 16 LYS CG C 13 24.892 0.10 . 1 . . . . 16 K CG . 19234 1 178 . 1 1 16 16 LYS CD C 13 28.977 0.10 . 1 . . . . 16 K CD . 19234 1 179 . 1 1 16 16 LYS CE C 13 42.123 0.10 . 1 . . . . 16 K CE . 19234 1 180 . 1 1 16 16 LYS N N 15 120.669 0.10 . 1 . . . . 16 K N . 19234 1 181 . 1 1 17 17 ASN H H 1 8.791 0.025 . 1 . . . . 17 N HN . 19234 1 182 . 1 1 17 17 ASN HA H 1 3.743 0.025 . 1 . . . . 17 N HA . 19234 1 183 . 1 1 17 17 ASN HB2 H 1 2.410 0.025 . 2 . . . . 17 N HB2 . 19234 1 184 . 1 1 17 17 ASN HB3 H 1 1.140 0.025 . 2 . . . . 17 N HB3 . 19234 1 185 . 1 1 17 17 ASN HD21 H 1 7.055 0.025 . 2 . . . . 17 N HD21 . 19234 1 186 . 1 1 17 17 ASN HD22 H 1 6.836 0.025 . 2 . . . . 17 N HD22 . 19234 1 187 . 1 1 17 17 ASN CA C 13 54.948 0.10 . 1 . . . . 17 N CA . 19234 1 188 . 1 1 17 17 ASN CB C 13 35.957 0.10 . 1 . . . . 17 N CB . 19234 1 189 . 1 1 17 17 ASN N N 15 115.250 0.10 . 1 . . . . 17 N N . 19234 1 190 . 1 1 17 17 ASN ND2 N 15 115.263 0.10 . 1 . . . . 17 N ND2 . 19234 1 191 . 1 1 18 18 ALA H H 1 7.181 0.025 . 1 . . . . 18 A HN . 19234 1 192 . 1 1 18 18 ALA HA H 1 5.056 0.025 . 1 . . . . 18 A HA . 19234 1 193 . 1 1 18 18 ALA HB1 H 1 1.285 0.025 . 1 . . . . 18 A HB . 19234 1 194 . 1 1 18 18 ALA HB2 H 1 1.285 0.025 . 1 . . . . 18 A HB . 19234 1 195 . 1 1 18 18 ALA HB3 H 1 1.285 0.025 . 1 . . . . 18 A HB . 19234 1 196 . 1 1 18 18 ALA CA C 13 50.572 0.10 . 1 . . . . 18 A CA . 19234 1 197 . 1 1 18 18 ALA CB C 13 24.120 0.10 . 1 . . . . 18 A CB . 19234 1 198 . 1 1 18 18 ALA N N 15 115.603 0.10 . 1 . . . . 18 A N . 19234 1 199 . 1 1 19 19 GLY H H 1 8.862 0.025 . 1 . . . . 19 G HN . 19234 1 200 . 1 1 19 19 GLY HA2 H 1 2.241 0.025 . 2 . . . . 19 G HA2 . 19234 1 201 . 1 1 19 19 GLY HA3 H 1 4.121 0.025 . 2 . . . . 19 G HA3 . 19234 1 202 . 1 1 19 19 GLY CA C 13 43.276 0.10 . 1 . . . . 19 G CA . 19234 1 203 . 1 1 19 19 GLY N N 15 106.045 0.10 . 1 . . . . 19 G N . 19234 1 204 . 1 1 20 20 CYS H H 1 8.169 0.025 . 1 . . . . 20 C HN . 19234 1 205 . 1 1 20 20 CYS HA H 1 5.433 0.025 . 1 . . . . 20 C HA . 19234 1 206 . 1 1 20 20 CYS HB2 H 1 2.686 0.025 . 2 . . . . 20 C HB2 . 19234 1 207 . 1 1 20 20 CYS HB3 H 1 3.285 0.025 . 2 . . . . 20 C HB3 . 19234 1 208 . 1 1 20 20 CYS CA C 13 55.474 0.10 . 1 . . . . 20 C CA . 19234 1 209 . 1 1 20 20 CYS CB C 13 40.617 0.10 . 1 . . . . 20 C CB . 19234 1 210 . 1 1 20 20 CYS N N 15 120.801 0.10 . 1 . . . . 20 C N . 19234 1 211 . 1 1 21 21 PHE H H 1 9.337 0.025 . 1 . . . . 21 F HN . 19234 1 212 . 1 1 21 21 PHE HA H 1 4.445 0.025 . 1 . . . . 21 F HA . 19234 1 213 . 1 1 21 21 PHE HB2 H 1 1.820 0.025 . 2 . . . . 21 F HB2 . 19234 1 214 . 1 1 21 21 PHE HB3 H 1 1.060 0.025 . 2 . . . . 21 F HB3 . 19234 1 215 . 1 1 21 21 PHE HD1 H 1 6.460 0.025 . 3 . . . . 21 F HD . 19234 1 216 . 1 1 21 21 PHE HD2 H 1 6.460 0.025 . 3 . . . . 21 F HD . 19234 1 217 . 1 1 21 21 PHE HE1 H 1 6.306 0.025 . 3 . . . . 21 F HE . 19234 1 218 . 1 1 21 21 PHE HE2 H 1 6.306 0.025 . 3 . . . . 21 F HE . 19234 1 219 . 1 1 21 21 PHE HZ H 1 6.178 0.025 . 1 . . . . 21 F HZ . 19234 1 220 . 1 1 21 21 PHE CA C 13 57.290 0.10 . 1 . . . . 21 F CA . 19234 1 221 . 1 1 21 21 PHE CB C 13 42.551 0.10 . 1 . . . . 21 F CB . 19234 1 222 . 1 1 21 21 PHE CD1 C 13 131.892 0.10 . 1 . . . . 21 F CD1 . 19234 1 223 . 1 1 21 21 PHE CE1 C 13 130.782 0.10 . 1 . . . . 21 F CE1 . 19234 1 224 . 1 1 21 21 PHE CZ C 13 128.267 0.10 . 1 . . . . 21 F CZ . 19234 1 225 . 1 1 21 21 PHE N N 15 134.016 0.10 . 1 . . . . 21 F N . 19234 1 226 . 1 1 22 22 ARG H H 1 7.409 0.025 . 1 . . . . 22 R HN . 19234 1 227 . 1 1 22 22 ARG HA H 1 4.834 0.025 . 1 . . . . 22 R HA . 19234 1 228 . 1 1 22 22 ARG HB2 H 1 1.123 0.025 . 2 . . . . 22 R HB2 . 19234 1 229 . 1 1 22 22 ARG HB3 H 1 1.294 0.025 . 2 . . . . 22 R HB3 . 19234 1 230 . 1 1 22 22 ARG HG2 H 1 1.266 0.025 . 2 . . . . 22 R HG2 . 19234 1 231 . 1 1 22 22 ARG HG3 H 1 1.536 0.025 . 2 . . . . 22 R HG3 . 19234 1 232 . 1 1 22 22 ARG HD2 H 1 3.103 0.025 . 2 . . . . 22 R HD2 . 19234 1 233 . 1 1 22 22 ARG HD3 H 1 3.162 0.025 . 2 . . . . 22 R HD3 . 19234 1 234 . 1 1 22 22 ARG CA C 13 53.820 0.10 . 1 . . . . 22 R CA . 19234 1 235 . 1 1 22 22 ARG CB C 13 31.761 0.10 . 1 . . . . 22 R CB . 19234 1 236 . 1 1 22 22 ARG CG C 13 27.362 0.10 . 1 . . . . 22 R CG . 19234 1 237 . 1 1 22 22 ARG CD C 13 43.782 0.10 . 1 . . . . 22 R CD . 19234 1 238 . 1 1 22 22 ARG N N 15 128.547 0.10 . 1 . . . . 22 R N . 19234 1 239 . 1 1 23 23 ASP H H 1 8.890 0.025 . 1 . . . . 23 D HN . 19234 1 240 . 1 1 23 23 ASP HA H 1 4.669 0.025 . 1 . . . . 23 D HA . 19234 1 241 . 1 1 23 23 ASP HB2 H 1 3.115 0.025 . 2 . . . . 23 D HB2 . 19234 1 242 . 1 1 23 23 ASP HB3 H 1 3.115 0.025 . 2 . . . . 23 D HB3 . 19234 1 243 . 1 1 23 23 ASP CA C 13 53.356 0.10 . 1 . . . . 23 D CA . 19234 1 244 . 1 1 23 23 ASP CB C 13 40.846 0.10 . 1 . . . . 23 D CB . 19234 1 245 . 1 1 23 23 ASP N N 15 127.243 0.10 . 1 . . . . 23 D N . 19234 1 246 . 1 1 24 24 ASP H H 1 9.124 0.025 . 1 . . . . 24 D HN . 19234 1 247 . 1 1 24 24 ASP HA H 1 4.281 0.025 . 1 . . . . 24 D HA . 19234 1 248 . 1 1 24 24 ASP HB2 H 1 2.712 0.025 . 2 . . . . 24 D HB2 . 19234 1 249 . 1 1 24 24 ASP HB3 H 1 2.719 0.025 . 2 . . . . 24 D HB3 . 19234 1 250 . 1 1 24 24 ASP CA C 13 57.412 0.10 . 1 . . . . 24 D CA . 19234 1 251 . 1 1 24 24 ASP CB C 13 40.119 0.10 . 1 . . . . 24 D CB . 19234 1 252 . 1 1 24 24 ASP N N 15 121.300 0.10 . 1 . . . . 24 D N . 19234 1 253 . 1 1 25 25 ASP H H 1 8.170 0.025 . 1 . . . . 25 D HN . 19234 1 254 . 1 1 25 25 ASP HA H 1 4.564 0.025 . 1 . . . . 25 D HA . 19234 1 255 . 1 1 25 25 ASP HB2 H 1 3.031 0.025 . 2 . . . . 25 D HB2 . 19234 1 256 . 1 1 25 25 ASP HB3 H 1 2.710 0.025 . 2 . . . . 25 D HB3 . 19234 1 257 . 1 1 25 25 ASP CA C 13 53.745 0.10 . 1 . . . . 25 D CA . 19234 1 258 . 1 1 25 25 ASP CB C 13 40.147 0.10 . 1 . . . . 25 D CB . 19234 1 259 . 1 1 25 25 ASP N N 15 116.672 0.10 . 1 . . . . 25 D N . 19234 1 260 . 1 1 26 26 GLY H H 1 8.205 0.025 . 1 . . . . 26 G HN . 19234 1 261 . 1 1 26 26 GLY HA2 H 1 4.386 0.025 . 2 . . . . 26 G HA2 . 19234 1 262 . 1 1 26 26 GLY HA3 H 1 3.472 0.025 . 2 . . . . 26 G HA3 . 19234 1 263 . 1 1 26 26 GLY CA C 13 44.881 0.10 . 1 . . . . 26 G CA . 19234 1 264 . 1 1 26 26 GLY N N 15 108.602 0.10 . 1 . . . . 26 G N . 19234 1 265 . 1 1 27 27 THR H H 1 8.285 0.025 . 1 . . . . 27 T HN . 19234 1 266 . 1 1 27 27 THR HG21 H 1 1.228 0.025 . 1 . . . . 27 T HG2 . 19234 1 267 . 1 1 27 27 THR HG22 H 1 1.228 0.025 . 1 . . . . 27 T HG2 . 19234 1 268 . 1 1 27 27 THR HG23 H 1 1.228 0.025 . 1 . . . . 27 T HG2 . 19234 1 269 . 1 1 27 27 THR CG2 C 13 21.656 0.10 . 1 . . . . 27 T CG2 . 19234 1 270 . 1 1 27 27 THR N N 15 119.118 0.10 . 1 . . . . 27 T N . 19234 1 271 . 1 1 28 28 LYS H H 1 8.673 0.025 . 1 . . . . 28 K HN . 19234 1 272 . 1 1 28 28 LYS HA H 1 4.833 0.025 . 1 . . . . 28 K HA . 19234 1 273 . 1 1 28 28 LYS HB2 H 1 1.828 0.025 . 2 . . . . 28 K HB2 . 19234 1 274 . 1 1 28 28 LYS HB3 H 1 1.764 0.025 . 2 . . . . 28 K HB3 . 19234 1 275 . 1 1 28 28 LYS HG2 H 1 1.417 0.025 . 2 . . . . 28 K HG2 . 19234 1 276 . 1 1 28 28 LYS HG3 H 1 1.574 0.025 . 2 . . . . 28 K HG3 . 19234 1 277 . 1 1 28 28 LYS HD2 H 1 1.858 0.025 . 2 . . . . 28 K HD2 . 19234 1 278 . 1 1 28 28 LYS HD3 H 1 1.791 0.025 . 2 . . . . 28 K HD3 . 19234 1 279 . 1 1 28 28 LYS CA C 13 56.117 0.10 . 1 . . . . 28 K CA . 19234 1 280 . 1 1 28 28 LYS CB C 13 34.056 0.10 . 1 . . . . 28 K CB . 19234 1 281 . 1 1 28 28 LYS CG C 13 25.036 0.10 . 1 . . . . 28 K CG . 19234 1 282 . 1 1 28 28 LYS CD C 13 30.217 0.10 . 1 . . . . 28 K CD . 19234 1 283 . 1 1 28 28 LYS N N 15 125.519 0.10 . 1 . . . . 28 K N . 19234 1 284 . 1 1 29 29 GLU H H 1 8.959 0.025 . 1 . . . . 29 E HN . 19234 1 285 . 1 1 29 29 GLU HA H 1 4.823 0.025 . 1 . . . . 29 E HA . 19234 1 286 . 1 1 29 29 GLU HB2 H 1 2.232 0.025 . 2 . . . . 29 E HB2 . 19234 1 287 . 1 1 29 29 GLU HB3 H 1 2.151 0.025 . 2 . . . . 29 E HB3 . 19234 1 288 . 1 1 29 29 GLU HG2 H 1 2.444 0.025 . 2 . . . . 29 E HG2 . 19234 1 289 . 1 1 29 29 GLU CA C 13 54.498 0.10 . 1 . . . . 29 E CA . 19234 1 290 . 1 1 29 29 GLU CB C 13 33.320 0.10 . 1 . . . . 29 E CB . 19234 1 291 . 1 1 29 29 GLU CG C 13 34.939 0.10 . 1 . . . . 29 E CG . 19234 1 292 . 1 1 29 29 GLU N N 15 124.428 0.10 . 1 . . . . 29 E N . 19234 1 293 . 1 1 30 30 TRP H H 1 8.266 0.025 . 1 . . . . 30 W H . 19234 1 294 . 1 1 30 30 TRP HA H 1 6.226 0.025 . 1 . . . . 30 W HA . 19234 1 295 . 1 1 30 30 TRP HB2 H 1 3.244 0.025 . 2 . . . . 30 W HB2 . 19234 1 296 . 1 1 30 30 TRP HB3 H 1 2.939 0.025 . 2 . . . . 30 W HB3 . 19234 1 297 . 1 1 30 30 TRP HD1 H 1 7.169 0.025 . 1 . . . . 30 W HD1 . 19234 1 298 . 1 1 30 30 TRP HE1 H 1 10.198 0.025 . 1 . . . . 30 W HE1 . 19234 1 299 . 1 1 30 30 TRP HE3 H 1 6.900 0.025 . 1 . . . . 30 W HE3 . 19234 1 300 . 1 1 30 30 TRP HZ2 H 1 7.479 0.025 . 1 . . . . 30 W HZ2 . 19234 1 301 . 1 1 30 30 TRP HH2 H 1 6.961 0.025 . 1 . . . . 30 W HH2 . 19234 1 302 . 1 1 30 30 TRP CA C 13 54.303 0.10 . 1 . . . . 30 W CA . 19234 1 303 . 1 1 30 30 TRP CB C 13 123.643 0.10 . 1 . . . . 30 W CB . 19234 1 304 . 1 1 30 30 TRP CD1 C 13 128.556 0.10 . 1 . . . . 30 W CD1 . 19234 1 305 . 1 1 30 30 TRP CE3 C 13 120.546 0.10 . 1 . . . . 30 W CE3 . 19234 1 306 . 1 1 30 30 TRP CZ2 C 13 115.017 0.10 . 1 . . . . 30 W CZ2 . 19234 1 307 . 1 1 30 30 TRP CH2 C 13 123.715 0.10 . 1 . . . . 30 W CH2 . 19234 1 308 . 1 1 30 30 TRP N N 15 118.168 0.10 . 1 . . . . 30 W N . 19234 1 309 . 1 1 30 30 TRP NE1 N 15 130.058 0.10 . 1 . . . . 30 W NE1 . 19234 1 310 . 1 1 31 31 ARG H H 1 8.436 0.025 . 1 . . . . 31 R HN . 19234 1 311 . 1 1 31 31 ARG HA H 1 4.465 0.025 . 1 . . . . 31 R HA . 19234 1 312 . 1 1 31 31 ARG HB2 H 1 1.728 0.025 . 2 . . . . 31 R HB2 . 19234 1 313 . 1 1 31 31 ARG HB3 H 1 0.905 0.025 . 2 . . . . 31 R HB3 . 19234 1 314 . 1 1 31 31 ARG HG2 H 1 1.573 0.025 . 2 . . . . 31 R HG2 . 19234 1 315 . 1 1 31 31 ARG HG3 H 1 1.238 0.025 . 2 . . . . 31 R HG3 . 19234 1 316 . 1 1 31 31 ARG HD2 H 1 2.743 0.025 . 2 . . . . 31 R HD2 . 19234 1 317 . 1 1 31 31 ARG HD3 H 1 1.145 0.025 . 2 . . . . 31 R HD3 . 19234 1 318 . 1 1 31 31 ARG CA C 13 54.681 0.10 . 1 . . . . 31 R CA . 19234 1 319 . 1 1 31 31 ARG CB C 13 36.023 0.10 . 1 . . . . 31 R CB . 19234 1 320 . 1 1 31 31 ARG CG C 13 28.128 0.10 . 1 . . . . 31 R CG . 19234 1 321 . 1 1 31 31 ARG CD C 13 42.962 0.10 . 1 . . . . 31 R CD . 19234 1 322 . 1 1 31 31 ARG N N 15 118.250 0.10 . 1 . . . . 31 R N . 19234 1 323 . 1 1 32 32 CYS H H 1 9.263 0.025 . 1 . . . . 32 C HN . 19234 1 324 . 1 1 32 32 CYS HA H 1 4.970 0.025 . 1 . . . . 32 C HA . 19234 1 325 . 1 1 32 32 CYS HB2 H 1 3.043 0.025 . 2 . . . . 32 C HB2 . 19234 1 326 . 1 1 32 32 CYS HB3 H 1 2.660 0.025 . 2 . . . . 32 C HB3 . 19234 1 327 . 1 1 32 32 CYS CA C 13 54.462 0.10 . 1 . . . . 32 C CA . 19234 1 328 . 1 1 32 32 CYS CB C 13 36.284 0.10 . 1 . . . . 32 C CB . 19234 1 329 . 1 1 32 32 CYS N N 15 120.119 0.10 . 1 . . . . 32 C N . 19234 1 330 . 1 1 33 33 LEU H H 1 8.231 0.025 . 1 . . . . 33 L HN . 19234 1 331 . 1 1 33 33 LEU HA H 1 4.323 0.025 . 1 . . . . 33 L HA . 19234 1 332 . 1 1 33 33 LEU HB2 H 1 1.831 0.025 . 2 . . . . 33 L HB2 . 19234 1 333 . 1 1 33 33 LEU HB3 H 1 1.504 0.025 . 2 . . . . 33 L HB3 . 19234 1 334 . 1 1 33 33 LEU HG H 1 1.140 0.025 . 1 . . . . 33 L HG . 19234 1 335 . 1 1 33 33 LEU HD11 H 1 0.710 0.025 . 2 . . . . 33 L HD1 . 19234 1 336 . 1 1 33 33 LEU HD12 H 1 0.710 0.025 . 2 . . . . 33 L HD1 . 19234 1 337 . 1 1 33 33 LEU HD13 H 1 0.710 0.025 . 2 . . . . 33 L HD1 . 19234 1 338 . 1 1 33 33 LEU HD21 H 1 0.733 0.025 . 2 . . . . 33 L HD2 . 19234 1 339 . 1 1 33 33 LEU HD22 H 1 0.733 0.025 . 2 . . . . 33 L HD2 . 19234 1 340 . 1 1 33 33 LEU HD23 H 1 0.733 0.025 . 2 . . . . 33 L HD2 . 19234 1 341 . 1 1 33 33 LEU CA C 13 54.504 0.10 . 1 . . . . 33 L CA . 19234 1 342 . 1 1 33 33 LEU CB C 13 41.715 0.10 . 1 . . . . 33 L CB . 19234 1 343 . 1 1 33 33 LEU CG C 13 27.285 0.10 . 1 . . . . 33 L CG . 19234 1 344 . 1 1 33 33 LEU CD1 C 13 22.321 0.10 . 1 . . . . 33 L CD1 . 19234 1 345 . 1 1 33 33 LEU CD2 C 13 25.577 0.10 . 1 . . . . 33 L CD2 . 19234 1 346 . 1 1 33 33 LEU N N 15 120.135 0.10 . 1 . . . . 33 L N . 19234 1 347 . 1 1 34 34 LEU H H 1 8.543 0.025 . 1 . . . . 34 L HN . 19234 1 348 . 1 1 34 34 LEU HA H 1 4.304 0.025 . 1 . . . . 34 L HA . 19234 1 349 . 1 1 34 34 LEU HB2 H 1 1.542 0.025 . 2 . . . . 34 L HB2 . 19234 1 350 . 1 1 34 34 LEU HB3 H 1 1.827 0.025 . 2 . . . . 34 L HB3 . 19234 1 351 . 1 1 34 34 LEU HG H 1 1.870 0.025 . 1 . . . . 34 L HG . 19234 1 352 . 1 1 34 34 LEU HD11 H 1 1.046 0.025 . 2 . . . . 34 L HD1 . 19234 1 353 . 1 1 34 34 LEU HD12 H 1 1.046 0.025 . 2 . . . . 34 L HD1 . 19234 1 354 . 1 1 34 34 LEU HD13 H 1 1.046 0.025 . 2 . . . . 34 L HD1 . 19234 1 355 . 1 1 34 34 LEU HD21 H 1 0.754 0.025 . 2 . . . . 34 L HD2 . 19234 1 356 . 1 1 34 34 LEU HD22 H 1 0.754 0.025 . 2 . . . . 34 L HD2 . 19234 1 357 . 1 1 34 34 LEU HD23 H 1 0.754 0.025 . 2 . . . . 34 L HD2 . 19234 1 358 . 1 1 34 34 LEU CA C 13 56.583 0.10 . 1 . . . . 34 L CA . 19234 1 359 . 1 1 34 34 LEU CB C 13 40.598 0.10 . 1 . . . . 34 L CB . 19234 1 360 . 1 1 34 34 LEU CG C 13 26.868 0.10 . 1 . . . . 34 L CG . 19234 1 361 . 1 1 34 34 LEU CD1 C 13 26.070 0.10 . 1 . . . . 34 L CD1 . 19234 1 362 . 1 1 34 34 LEU CD2 C 13 22.018 0.10 . 1 . . . . 34 L CD2 . 19234 1 363 . 1 1 34 34 LEU N N 15 117.291 0.10 . 1 . . . . 34 L N . 19234 1 364 . 1 1 35 35 GLY H H 1 8.344 0.025 . 1 . . . . 35 G HN . 19234 1 365 . 1 1 35 35 GLY HA2 H 1 3.062 0.025 . 2 . . . . 35 G HA2 . 19234 1 366 . 1 1 35 35 GLY HA3 H 1 4.009 0.025 . 2 . . . . 35 G HA3 . 19234 1 367 . 1 1 35 35 GLY CA C 13 44.373 0.10 . 1 . . . . 35 G CA . 19234 1 368 . 1 1 35 35 GLY N N 15 106.710 0.10 . 1 . . . . 35 G N . 19234 1 369 . 1 1 36 36 TYR H H 1 8.757 0.025 . 1 . . . . 36 Y HN . 19234 1 370 . 1 1 36 36 TYR HA H 1 5.135 0.025 . 1 . . . . 36 Y HA . 19234 1 371 . 1 1 36 36 TYR HB2 H 1 2.662 0.025 . 2 . . . . 36 Y HB2 . 19234 1 372 . 1 1 36 36 TYR HB3 H 1 3.371 0.025 . 2 . . . . 36 Y HB3 . 19234 1 373 . 1 1 36 36 TYR HD1 H 1 6.622 0.025 . 3 . . . . 36 Y HD . 19234 1 374 . 1 1 36 36 TYR HD2 H 1 6.622 0.025 . 3 . . . . 36 Y HD . 19234 1 375 . 1 1 36 36 TYR HE1 H 1 6.681 0.025 . 3 . . . . 36 Y HE . 19234 1 376 . 1 1 36 36 TYR HE2 H 1 6.681 0.025 . 3 . . . . 36 Y HE . 19234 1 377 . 1 1 36 36 TYR CA C 13 56.974 0.10 . 1 . . . . 36 Y CA . 19234 1 378 . 1 1 36 36 TYR CB C 13 41.416 0.10 . 1 . . . . 36 Y CB . 19234 1 379 . 1 1 36 36 TYR CD1 C 13 133.195 0.10 . 1 . . . . 36 Y CD1 . 19234 1 380 . 1 1 36 36 TYR CE1 C 13 118.234 0.10 . 1 . . . . 36 Y CE1 . 19234 1 381 . 1 1 36 36 TYR N N 15 119.409 0.10 . 1 . . . . 36 Y N . 19234 1 382 . 1 1 37 37 LYS H H 1 10.003 0.025 . 1 . . . . 37 K HN . 19234 1 383 . 1 1 37 37 LYS HA H 1 4.862 0.025 . 1 . . . . 37 K HA . 19234 1 384 . 1 1 37 37 LYS HB2 H 1 1.983 0.025 . 2 . . . . 37 K HB2 . 19234 1 385 . 1 1 37 37 LYS HB3 H 1 1.585 0.025 . 2 . . . . 37 K HB3 . 19234 1 386 . 1 1 37 37 LYS HG2 H 1 1.099 0.025 . 2 . . . . 37 K HG2 . 19234 1 387 . 1 1 37 37 LYS HG3 H 1 1.099 0.025 . 2 . . . . 37 K HG3 . 19234 1 388 . 1 1 37 37 LYS HD2 H 1 1.332 0.025 . 2 . . . . 37 K HD2 . 19234 1 389 . 1 1 37 37 LYS HD3 H 1 1.591 0.025 . 2 . . . . 37 K HD3 . 19234 1 390 . 1 1 37 37 LYS HE2 H 1 2.879 0.025 . 2 . . . . 37 K HE2 . 19234 1 391 . 1 1 37 37 LYS HE3 H 1 2.951 0.025 . 2 . . . . 37 K HE3 . 19234 1 392 . 1 1 37 37 LYS CA C 13 53.741 0.10 . 1 . . . . 37 K CA . 19234 1 393 . 1 1 37 37 LYS CB C 13 36.285 0.10 . 1 . . . . 37 K CB . 19234 1 394 . 1 1 37 37 LYS CG C 13 23.676 0.10 . 1 . . . . 37 K CG . 19234 1 395 . 1 1 37 37 LYS CD C 13 29.776 0.10 . 1 . . . . 37 K CD . 19234 1 396 . 1 1 37 37 LYS CE C 13 42.226 0.10 . 1 . . . . 37 K CE . 19234 1 397 . 1 1 37 37 LYS N N 15 119.802 0.10 . 1 . . . . 37 K N . 19234 1 398 . 1 1 38 38 LYS H H 1 8.703 0.025 . 1 . . . . 38 K HN . 19234 1 399 . 1 1 38 38 LYS HA H 1 4.933 0.025 . 1 . . . . 38 K HA . 19234 1 400 . 1 1 38 38 LYS HB2 H 1 1.963 0.025 . 2 . . . . 38 K HB2 . 19234 1 401 . 1 1 38 38 LYS HG2 H 1 1.929 0.025 . 2 . . . . 38 K HG2 . 19234 1 402 . 1 1 38 38 LYS HG3 H 1 1.896 0.025 . 2 . . . . 38 K HG3 . 19234 1 403 . 1 1 38 38 LYS HD2 H 1 1.974 0.025 . 2 . . . . 38 K HD2 . 19234 1 404 . 1 1 38 38 LYS HD3 H 1 1.798 0.025 . 2 . . . . 38 K HD3 . 19234 1 405 . 1 1 38 38 LYS HE2 H 1 3.127 0.025 . 2 . . . . 38 K HE2 . 19234 1 406 . 1 1 38 38 LYS HE3 H 1 3.127 0.025 . 2 . . . . 38 K HE3 . 19234 1 407 . 1 1 38 38 LYS CA C 13 58.016 0.10 . 1 . . . . 38 K CA . 19234 1 408 . 1 1 38 38 LYS CB C 13 32.892 0.10 . 1 . . . . 38 K CB . 19234 1 409 . 1 1 38 38 LYS CG C 13 25.117 0.10 . 1 . . . . 38 K CG . 19234 1 410 . 1 1 38 38 LYS CD C 13 29.252 0.10 . 1 . . . . 38 K CD . 19234 1 411 . 1 1 38 38 LYS CE C 13 42.453 0.10 . 1 . . . . 38 K CE . 19234 1 412 . 1 1 38 38 LYS N N 15 124.066 0.10 . 1 . . . . 38 K N . 19234 1 413 . 1 1 39 39 GLY H H 1 8.585 0.025 . 1 . . . . 39 G HN . 19234 1 414 . 1 1 39 39 GLY HA2 H 1 4.523 0.025 . 2 . . . . 39 G HA2 . 19234 1 415 . 1 1 39 39 GLY HA3 H 1 3.549 0.025 . 2 . . . . 39 G HA3 . 19234 1 416 . 1 1 39 39 GLY CA C 13 43.919 0.10 . 1 . . . . 39 G CA . 19234 1 417 . 1 1 39 39 GLY N N 15 115.238 0.10 . 1 . . . . 39 G N . 19234 1 418 . 1 1 40 40 GLU H H 1 8.335 0.025 . 1 . . . . 40 E HN . 19234 1 419 . 1 1 40 40 GLU HA H 1 4.256 0.025 . 1 . . . . 40 E HA . 19234 1 420 . 1 1 40 40 GLU HB2 H 1 1.982 0.025 . 2 . . . . 40 E HB2 . 19234 1 421 . 1 1 40 40 GLU HB3 H 1 1.983 0.025 . 2 . . . . 40 E HB3 . 19234 1 422 . 1 1 40 40 GLU HG2 H 1 2.333 0.025 . 2 . . . . 40 E HG2 . 19234 1 423 . 1 1 40 40 GLU HG3 H 1 2.331 0.025 . 2 . . . . 40 E HG3 . 19234 1 424 . 1 1 40 40 GLU CA C 13 56.947 0.10 . 1 . . . . 40 E CA . 19234 1 425 . 1 1 40 40 GLU CB C 13 29.582 0.10 . 1 . . . . 40 E CB . 19234 1 426 . 1 1 40 40 GLU CG C 13 35.953 0.10 . 1 . . . . 40 E CG . 19234 1 427 . 1 1 40 40 GLU N N 15 120.782 0.10 . 1 . . . . 40 E N . 19234 1 428 . 1 1 41 41 GLY H H 1 8.930 0.025 . 1 . . . . 41 G HN . 19234 1 429 . 1 1 41 41 GLY HA2 H 1 3.950 0.025 . 2 . . . . 41 G HA2 . 19234 1 430 . 1 1 41 41 GLY HA3 H 1 3.877 0.025 . 2 . . . . 41 G HA3 . 19234 1 431 . 1 1 41 41 GLY CA C 13 45.946 0.10 . 1 . . . . 41 G CA . 19234 1 432 . 1 1 41 41 GLY N N 15 113.795 0.10 . 1 . . . . 41 G N . 19234 1 433 . 1 1 42 42 ASN H H 1 8.818 0.025 . 1 . . . . 42 N HN . 19234 1 434 . 1 1 42 42 ASN HA H 1 5.011 0.025 . 1 . . . . 42 N HA . 19234 1 435 . 1 1 42 42 ASN HB2 H 1 2.812 0.025 . 2 . . . . 42 N HB2 . 19234 1 436 . 1 1 42 42 ASN HB3 H 1 2.812 0.025 . 2 . . . . 42 N HB3 . 19234 1 437 . 1 1 42 42 ASN HD21 H 1 7.702 0.025 . 2 . . . . 42 N HD21 . 19234 1 438 . 1 1 42 42 ASN HD22 H 1 7.065 0.025 . 2 . . . . 42 N HD22 . 19234 1 439 . 1 1 42 42 ASN CA C 13 52.483 0.10 . 1 . . . . 42 N CA . 19234 1 440 . 1 1 42 42 ASN CB C 13 36.802 0.10 . 1 . . . . 42 N CB . 19234 1 441 . 1 1 42 42 ASN N N 15 121.221 0.10 . 1 . . . . 42 N N . 19234 1 442 . 1 1 42 42 ASN ND2 N 15 113.892 0.10 . 1 . . . . 42 N ND2 . 19234 1 443 . 1 1 43 43 THR H H 1 7.370 0.025 . 1 . . . . 43 T HN . 19234 1 444 . 1 1 43 43 THR HA H 1 4.577 0.025 . 1 . . . . 43 T HA . 19234 1 445 . 1 1 43 43 THR HB H 1 3.988 0.025 . 1 . . . . 43 T HB . 19234 1 446 . 1 1 43 43 THR HG21 H 1 1.156 0.025 . 1 . . . . 43 T HG2 . 19234 1 447 . 1 1 43 43 THR HG22 H 1 1.156 0.025 . 1 . . . . 43 T HG2 . 19234 1 448 . 1 1 43 43 THR HG23 H 1 1.156 0.025 . 1 . . . . 43 T HG2 . 19234 1 449 . 1 1 43 43 THR CA C 13 59.719 0.10 . 1 . . . . 43 T CA . 19234 1 450 . 1 1 43 43 THR CB C 13 73.013 0.10 . 1 . . . . 43 T CB . 19234 1 451 . 1 1 43 43 THR CG2 C 13 21.876 0.10 . 1 . . . . 43 T CG2 . 19234 1 452 . 1 1 43 43 THR N N 15 107.789 0.10 . 1 . . . . 43 T N . 19234 1 453 . 1 1 44 44 CYS H H 1 8.967 0.025 . 1 . . . . 44 C HN . 19234 1 454 . 1 1 44 44 CYS HA H 1 5.418 0.025 . 1 . . . . 44 C HA . 19234 1 455 . 1 1 44 44 CYS HB2 H 1 3.000 0.025 . 2 . . . . 44 C HB2 . 19234 1 456 . 1 1 44 44 CYS HB3 H 1 2.618 0.025 . 2 . . . . 44 C HB3 . 19234 1 457 . 1 1 44 44 CYS CA C 13 54.860 0.10 . 1 . . . . 44 C CA . 19234 1 458 . 1 1 44 44 CYS CB C 13 42.330 0.10 . 1 . . . . 44 C CB . 19234 1 459 . 1 1 44 44 CYS N N 15 120.250 0.10 . 1 . . . . 44 C N . 19234 1 460 . 1 1 45 45 VAL H H 1 9.658 0.025 . 1 . . . . 45 V HN . 19234 1 461 . 1 1 45 45 VAL HA H 1 4.899 0.025 . 1 . . . . 45 V HA . 19234 1 462 . 1 1 45 45 VAL HB H 1 2.379 0.025 . 1 . . . . 45 V HB . 19234 1 463 . 1 1 45 45 VAL HG11 H 1 1.002 0.025 . 2 . . . . 45 V HG1 . 19234 1 464 . 1 1 45 45 VAL HG12 H 1 1.002 0.025 . 2 . . . . 45 V HG1 . 19234 1 465 . 1 1 45 45 VAL HG13 H 1 1.002 0.025 . 2 . . . . 45 V HG1 . 19234 1 466 . 1 1 45 45 VAL HG21 H 1 0.833 0.025 . 2 . . . . 45 V HG2 . 19234 1 467 . 1 1 45 45 VAL HG22 H 1 0.833 0.025 . 2 . . . . 45 V HG2 . 19234 1 468 . 1 1 45 45 VAL HG23 H 1 0.833 0.025 . 2 . . . . 45 V HG2 . 19234 1 469 . 1 1 45 45 VAL CA C 13 58.652 0.10 . 1 . . . . 45 V CA . 19234 1 470 . 1 1 45 45 VAL CB C 13 35.075 0.10 . 1 . . . . 45 V CB . 19234 1 471 . 1 1 45 45 VAL CG1 C 13 21.609 0.10 . 1 . . . . 45 V CG1 . 19234 1 472 . 1 1 45 45 VAL CG2 C 13 18.506 0.10 . 1 . . . . 45 V CG2 . 19234 1 473 . 1 1 45 45 VAL N N 15 118.238 0.10 . 1 . . . . 45 V N . 19234 1 474 . 1 1 46 46 GLU H H 1 9.109 0.025 . 1 . . . . 46 E HN . 19234 1 475 . 1 1 46 46 GLU HA H 1 3.525 0.025 . 1 . . . . 46 E HA . 19234 1 476 . 1 1 46 46 GLU HB2 H 1 1.908 0.025 . 2 . . . . 46 E HB2 . 19234 1 477 . 1 1 46 46 GLU HB3 H 1 1.795 0.025 . 2 . . . . 46 E HB3 . 19234 1 478 . 1 1 46 46 GLU HG2 H 1 2.148 0.025 . 2 . . . . 46 E HG2 . 19234 1 479 . 1 1 46 46 GLU HG3 H 1 2.171 0.025 . 2 . . . . 46 E HG3 . 19234 1 480 . 1 1 46 46 GLU CA C 13 58.665 0.10 . 1 . . . . 46 E CA . 19234 1 481 . 1 1 46 46 GLU CB C 13 29.478 0.10 . 1 . . . . 46 E CB . 19234 1 482 . 1 1 46 46 GLU CG C 13 36.417 0.10 . 1 . . . . 46 E CG . 19234 1 483 . 1 1 46 46 GLU N N 15 122.862 0.10 . 1 . . . . 46 E N . 19234 1 484 . 1 1 47 47 ASN H H 1 8.309 0.025 . 1 . . . . 47 N HN . 19234 1 485 . 1 1 47 47 ASN HA H 1 4.724 0.025 . 1 . . . . 47 N HA . 19234 1 486 . 1 1 47 47 ASN HB2 H 1 2.692 0.025 . 2 . . . . 47 N HB2 . 19234 1 487 . 1 1 47 47 ASN HB3 H 1 1.821 0.025 . 2 . . . . 47 N HB3 . 19234 1 488 . 1 1 47 47 ASN HD21 H 1 7.993 0.025 . 2 . . . . 47 N HD21 . 19234 1 489 . 1 1 47 47 ASN HD22 H 1 7.371 0.025 . 2 . . . . 47 N HD22 . 19234 1 490 . 1 1 47 47 ASN CA C 13 50.088 0.10 . 1 . . . . 47 N CA . 19234 1 491 . 1 1 47 47 ASN CB C 13 38.500 0.10 . 1 . . . . 47 N CB . 19234 1 492 . 1 1 47 47 ASN N N 15 120.907 0.10 . 1 . . . . 47 N N . 19234 1 493 . 1 1 47 47 ASN ND2 N 15 111.519 0.10 . 1 . . . . 47 N ND2 . 19234 1 494 . 1 1 48 48 ASN H H 1 8.556 0.025 . 1 . . . . 48 N HN . 19234 1 495 . 1 1 48 48 ASN HA H 1 4.608 0.025 . 1 . . . . 48 N HA . 19234 1 496 . 1 1 48 48 ASN HB2 H 1 2.768 0.025 . 2 . . . . 48 N HB2 . 19234 1 497 . 1 1 48 48 ASN HB3 H 1 2.796 0.025 . 2 . . . . 48 N HB3 . 19234 1 498 . 1 1 48 48 ASN HD21 H 1 7.666 0.025 . 2 . . . . 48 N HD21 . 19234 1 499 . 1 1 48 48 ASN HD22 H 1 6.995 0.025 . 2 . . . . 48 N HD22 . 19234 1 500 . 1 1 48 48 ASN CA C 13 53.606 0.10 . 1 . . . . 48 N CA . 19234 1 501 . 1 1 48 48 ASN CB C 13 38.689 0.10 . 1 . . . . 48 N CB . 19234 1 502 . 1 1 48 48 ASN N N 15 119.289 0.10 . 1 . . . . 48 N N . 19234 1 503 . 1 1 48 48 ASN ND2 N 15 113.118 0.10 . 1 . . . . 48 N ND2 . 19234 1 504 . 1 1 49 49 ASN H H 1 7.710 0.025 . 1 . . . . 49 N HN . 19234 1 505 . 1 1 49 49 ASN HA H 1 5.059 0.025 . 1 . . . . 49 N HA . 19234 1 506 . 1 1 49 49 ASN HB2 H 1 2.721 0.025 . 2 . . . . 49 N HB2 . 19234 1 507 . 1 1 49 49 ASN HB3 H 1 2.410 0.025 . 2 . . . . 49 N HB3 . 19234 1 508 . 1 1 49 49 ASN HD21 H 1 7.488 0.025 . 2 . . . . 49 N HD21 . 19234 1 509 . 1 1 49 49 ASN HD22 H 1 6.811 0.025 . 2 . . . . 49 N HD22 . 19234 1 510 . 1 1 49 49 ASN CA C 13 51.705 0.10 . 1 . . . . 49 N CA . 19234 1 511 . 1 1 49 49 ASN CB C 13 39.832 0.10 . 1 . . . . 49 N CB . 19234 1 512 . 1 1 49 49 ASN N N 15 115.508 0.10 . 1 . . . . 49 N N . 19234 1 513 . 1 1 49 49 ASN ND2 N 15 112.095 0.10 . 1 . . . . 49 N ND2 . 19234 1 514 . 1 1 50 50 PRO HA H 1 4.313 0.025 . 1 . . . . 50 P HA . 19234 1 515 . 1 1 50 50 PRO HB2 H 1 1.969 0.025 . 2 . . . . 50 P HB2 . 19234 1 516 . 1 1 50 50 PRO HB3 H 1 1.802 0.025 . 2 . . . . 50 P HB3 . 19234 1 517 . 1 1 50 50 PRO HG2 H 1 2.143 0.025 . 2 . . . . 50 P HG2 . 19234 1 518 . 1 1 50 50 PRO HG3 H 1 1.871 0.025 . 2 . . . . 50 P HG3 . 19234 1 519 . 1 1 50 50 PRO HD2 H 1 3.508 0.025 . 2 . . . . 50 P HD2 . 19234 1 520 . 1 1 50 50 PRO HD3 H 1 3.261 0.025 . 2 . . . . 50 P HD3 . 19234 1 521 . 1 1 50 50 PRO CA C 13 63.538 0.10 . 1 . . . . 50 P CA . 19234 1 522 . 1 1 50 50 PRO CB C 13 31.959 0.10 . 1 . . . . 50 P CB . 19234 1 523 . 1 1 50 50 PRO CG C 13 28.008 0.10 . 1 . . . . 50 P CG . 19234 1 524 . 1 1 50 50 PRO CD C 13 49.267 0.10 . 1 . . . . 50 P CD . 19234 1 525 . 1 1 51 51 THR H H 1 8.516 0.025 . 1 . . . . 51 T HN . 19234 1 526 . 1 1 51 51 THR HA H 1 4.690 0.025 . 1 . . . . 51 T HA . 19234 1 527 . 1 1 51 51 THR HB H 1 4.321 0.025 . 1 . . . . 51 T HB . 19234 1 528 . 1 1 51 51 THR HG21 H 1 1.207 0.025 . 1 . . . . 51 T HG2 . 19234 1 529 . 1 1 51 51 THR HG22 H 1 1.207 0.025 . 1 . . . . 51 T HG2 . 19234 1 530 . 1 1 51 51 THR HG23 H 1 1.207 0.025 . 1 . . . . 51 T HG2 . 19234 1 531 . 1 1 51 51 THR CA C 13 59.593 0.10 . 1 . . . . 51 T CA . 19234 1 532 . 1 1 51 51 THR CB C 13 69.341 0.10 . 1 . . . . 51 T CB . 19234 1 533 . 1 1 51 51 THR CG2 C 13 10.907 0.10 . 1 . . . . 51 T CG2 . 19234 1 534 . 1 1 51 51 THR N N 15 115.945 0.10 . 1 . . . . 51 T N . 19234 1 535 . 1 1 52 52 CYS H H 1 8.939 0.025 . 1 . . . . 52 C HN . 19234 1 536 . 1 1 52 52 CYS HA H 1 4.371 0.025 . 1 . . . . 52 C HA . 19234 1 537 . 1 1 52 52 CYS HB2 H 1 3.055 0.025 . 2 . . . . 52 C HB2 . 19234 1 538 . 1 1 52 52 CYS HB3 H 1 2.692 0.025 . 2 . . . . 52 C HB3 . 19234 1 539 . 1 1 52 52 CYS CA C 13 55.720 0.10 . 1 . . . . 52 C CA . 19234 1 540 . 1 1 52 52 CYS CB C 13 36.863 0.10 . 1 . . . . 52 C CB . 19234 1 541 . 1 1 52 52 CYS N N 15 125.371 0.10 . 1 . . . . 52 C N . 19234 1 542 . 1 1 53 53 ASP H H 1 8.297 0.025 . 1 . . . . 53 D HN . 19234 1 543 . 1 1 53 53 ASP HA H 1 4.494 0.025 . 1 . . . . 53 D HA . 19234 1 544 . 1 1 53 53 ASP HB2 H 1 2.762 0.025 . 2 . . . . 53 D HB2 . 19234 1 545 . 1 1 53 53 ASP HB3 H 1 2.611 0.025 . 2 . . . . 53 D HB3 . 19234 1 546 . 1 1 53 53 ASP CA C 13 55.634 0.10 . 1 . . . . 53 D CA . 19234 1 547 . 1 1 53 53 ASP CB C 13 40.869 0.10 . 1 . . . . 53 D CB . 19234 1 548 . 1 1 53 53 ASP N N 15 116.967 0.10 . 1 . . . . 53 D N . 19234 1 549 . 1 1 54 54 ILE H H 1 7.544 0.025 . 1 . . . . 54 I HN . 19234 1 550 . 1 1 54 54 ILE HA H 1 4.329 0.025 . 1 . . . . 54 I HA . 19234 1 551 . 1 1 54 54 ILE HB H 1 1.710 0.025 . 1 . . . . 54 I HB . 19234 1 552 . 1 1 54 54 ILE HG12 H 1 1.374 0.025 . 2 . . . . 54 I HG12 . 19234 1 553 . 1 1 54 54 ILE HG13 H 1 1.039 0.025 . 2 . . . . 54 I HG13 . 19234 1 554 . 1 1 54 54 ILE HG21 H 1 0.892 0.025 . 1 . . . . 54 I HG2 . 19234 1 555 . 1 1 54 54 ILE HG22 H 1 0.892 0.025 . 1 . . . . 54 I HG2 . 19234 1 556 . 1 1 54 54 ILE HG23 H 1 0.892 0.025 . 1 . . . . 54 I HG2 . 19234 1 557 . 1 1 54 54 ILE HD11 H 1 0.848 0.025 . 1 . . . . 54 I HD1 . 19234 1 558 . 1 1 54 54 ILE HD12 H 1 0.848 0.025 . 1 . . . . 54 I HD1 . 19234 1 559 . 1 1 54 54 ILE HD13 H 1 0.848 0.025 . 1 . . . . 54 I HD1 . 19234 1 560 . 1 1 54 54 ILE CA C 13 60.248 0.10 . 1 . . . . 54 I CA . 19234 1 561 . 1 1 54 54 ILE CB C 13 39.985 0.10 . 1 . . . . 54 I CB . 19234 1 562 . 1 1 54 54 ILE CG1 C 13 26.964 0.10 . 1 . . . . 54 I CG1 . 19234 1 563 . 1 1 54 54 ILE CG2 C 13 16.789 0.10 . 1 . . . . 54 I CG2 . 19234 1 564 . 1 1 54 54 ILE CD1 C 13 12.390 0.10 . 1 . . . . 54 I CD1 . 19234 1 565 . 1 1 54 54 ILE N N 15 119.620 0.10 . 1 . . . . 54 I N . 19234 1 566 . 1 1 55 55 ASN H H 1 9.511 0.025 . 1 . . . . 55 N HN . 19234 1 567 . 1 1 55 55 ASN HA H 1 4.458 0.025 . 1 . . . . 55 N HA . 19234 1 568 . 1 1 55 55 ASN HB2 H 1 2.535 0.025 . 2 . . . . 55 N HB2 . 19234 1 569 . 1 1 55 55 ASN HB3 H 1 3.261 0.025 . 2 . . . . 55 N HB3 . 19234 1 570 . 1 1 55 55 ASN HD21 H 1 6.973 0.025 . 2 . . . . 55 N HD21 . 19234 1 571 . 1 1 55 55 ASN HD22 H 1 7.556 0.025 . 2 . . . . 55 N HD22 . 19234 1 572 . 1 1 55 55 ASN CA C 13 54.201 0.10 . 1 . . . . 55 N CA . 19234 1 573 . 1 1 55 55 ASN CB C 13 37.596 0.10 . 1 . . . . 55 N CB . 19234 1 574 . 1 1 55 55 ASN N N 15 126.772 0.10 . 1 . . . . 55 N N . 19234 1 575 . 1 1 55 55 ASN ND2 N 15 111.882 0.10 . 1 . . . . 55 N ND2 . 19234 1 576 . 1 1 56 56 ASN H H 1 9.246 0.025 . 1 . . . . 56 N HN . 19234 1 577 . 1 1 56 56 ASN HA H 1 4.685 0.025 . 1 . . . . 56 N HA . 19234 1 578 . 1 1 56 56 ASN HB2 H 1 3.192 0.025 . 2 . . . . 56 N HB2 . 19234 1 579 . 1 1 56 56 ASN HB3 H 1 2.282 0.025 . 2 . . . . 56 N HB3 . 19234 1 580 . 1 1 56 56 ASN HD21 H 1 111.320 0.025 . 2 . . . . 56 N HD2 . 19234 1 581 . 1 1 56 56 ASN HD22 H 1 111.320 0.025 . 2 . . . . 56 N HD2 . 19234 1 582 . 1 1 56 56 ASN CA C 13 53.686 0.10 . 1 . . . . 56 N CA . 19234 1 583 . 1 1 56 56 ASN CB C 13 39.376 0.10 . 1 . . . . 56 N CB . 19234 1 584 . 1 1 56 56 ASN N N 15 119.935 0.10 . 1 . . . . 56 N N . 19234 1 585 . 1 1 57 57 GLY H H 1 7.903 0.025 . 1 . . . . 57 G HN . 19234 1 586 . 1 1 57 57 GLY HA2 H 1 3.509 0.025 . 2 . . . . 57 G HA2 . 19234 1 587 . 1 1 57 57 GLY HA3 H 1 4.125 0.025 . 2 . . . . 57 G HA3 . 19234 1 588 . 1 1 57 57 GLY CA C 13 46.572 0.10 . 1 . . . . 57 G CA . 19234 1 589 . 1 1 57 57 GLY N N 15 106.042 0.10 . 1 . . . . 57 G N . 19234 1 590 . 1 1 58 58 GLY H H 1 8.128 0.025 . 1 . . . . 58 G HN . 19234 1 591 . 1 1 58 58 GLY HA2 H 1 4.442 0.025 . 2 . . . . 58 G HA2 . 19234 1 592 . 1 1 58 58 GLY HA3 H 1 3.490 0.025 . 2 . . . . 58 G HA3 . 19234 1 593 . 1 1 58 58 GLY CA C 13 44.188 0.10 . 1 . . . . 58 G CA . 19234 1 594 . 1 1 58 58 GLY N N 15 105.823 0.10 . 1 . . . . 58 G N . 19234 1 595 . 1 1 59 59 CYS H H 1 7.832 0.025 . 1 . . . . 59 C HN . 19234 1 596 . 1 1 59 59 CYS HA H 1 4.314 0.025 . 1 . . . . 59 C HA . 19234 1 597 . 1 1 59 59 CYS HB2 H 1 3.061 0.025 . 2 . . . . 59 C HB2 . 19234 1 598 . 1 1 59 59 CYS HB3 H 1 2.824 0.025 . 2 . . . . 59 C HB3 . 19234 1 599 . 1 1 59 59 CYS CA C 13 52.839 0.10 . 1 . . . . 59 C CA . 19234 1 600 . 1 1 59 59 CYS CB C 13 36.927 0.10 . 1 . . . . 59 C CB . 19234 1 601 . 1 1 59 59 CYS N N 15 119.059 0.10 . 1 . . . . 59 C N . 19234 1 602 . 1 1 60 60 ASP H H 1 8.706 0.025 . 1 . . . . 60 D HN . 19234 1 603 . 1 1 60 60 ASP HA H 1 4.351 0.025 . 1 . . . . 60 D HA . 19234 1 604 . 1 1 60 60 ASP HB2 H 1 2.429 0.025 . 2 . . . . 60 D HB2 . 19234 1 605 . 1 1 60 60 ASP HB3 H 1 2.265 0.025 . 2 . . . . 60 D HB3 . 19234 1 606 . 1 1 60 60 ASP CA C 13 53.619 0.10 . 1 . . . . 60 D CA . 19234 1 607 . 1 1 60 60 ASP CB C 13 44.622 0.10 . 1 . . . . 60 D CB . 19234 1 608 . 1 1 60 60 ASP N N 15 123.860 0.10 . 1 . . . . 60 D N . 19234 1 609 . 1 1 61 61 PRO HA H 1 4.148 0.025 . 1 . . . . 61 P HA . 19234 1 610 . 1 1 61 61 PRO HB2 H 1 2.430 0.025 . 2 . . . . 61 P HB2 . 19234 1 611 . 1 1 61 61 PRO HB3 H 1 1.927 0.025 . 2 . . . . 61 P HB3 . 19234 1 612 . 1 1 61 61 PRO HG2 H 1 2.049 0.025 . 2 . . . . 61 P HG2 . 19234 1 613 . 1 1 61 61 PRO HD2 H 1 3.739 0.025 . 2 . . . . 61 P HD2 . 19234 1 614 . 1 1 61 61 PRO HD3 H 1 3.559 0.025 . 2 . . . . 61 P HD3 . 19234 1 615 . 1 1 61 61 PRO CA C 13 65.750 0.10 . 1 . . . . 61 P CA . 19234 1 616 . 1 1 61 61 PRO CB C 13 32.706 0.10 . 1 . . . . 61 P CB . 19234 1 617 . 1 1 61 61 PRO CG C 13 27.512 0.10 . 1 . . . . 61 P CG . 19234 1 618 . 1 1 61 61 PRO CD C 13 50.927 0.10 . 1 . . . . 61 P CD . 19234 1 619 . 1 1 62 62 THR H H 1 9.105 0.025 . 1 . . . . 62 T HN . 19234 1 620 . 1 1 62 62 THR HA H 1 4.362 0.025 . 1 . . . . 62 T HA . 19234 1 621 . 1 1 62 62 THR HB H 1 4.361 0.025 . 1 . . . . 62 T HB . 19234 1 622 . 1 1 62 62 THR HG21 H 1 1.269 0.025 . 1 . . . . 62 T HG2 . 19234 1 623 . 1 1 62 62 THR HG22 H 1 1.269 0.025 . 1 . . . . 62 T HG2 . 19234 1 624 . 1 1 62 62 THR HG23 H 1 1.269 0.025 . 1 . . . . 62 T HG2 . 19234 1 625 . 1 1 62 62 THR CA C 13 62.641 0.10 . 1 . . . . 62 T CA . 19234 1 626 . 1 1 62 62 THR CB C 13 70.029 0.10 . 1 . . . . 62 T CB . 19234 1 627 . 1 1 62 62 THR CG2 C 13 21.845 0.10 . 1 . . . . 62 T CG . 19234 1 628 . 1 1 62 62 THR N N 15 107.838 0.10 . 1 . . . . 62 T N . 19234 1 629 . 1 1 63 63 ALA H H 1 8.097 0.025 . 1 . . . . 63 A HN . 19234 1 630 . 1 1 63 63 ALA HA H 1 4.572 0.025 . 1 . . . . 63 A HA . 19234 1 631 . 1 1 63 63 ALA HB1 H 1 1.402 0.025 . 1 . . . . 63 A HB . 19234 1 632 . 1 1 63 63 ALA HB2 H 1 1.402 0.025 . 1 . . . . 63 A HB . 19234 1 633 . 1 1 63 63 ALA HB3 H 1 1.402 0.025 . 1 . . . . 63 A HB . 19234 1 634 . 1 1 63 63 ALA CA C 13 51.395 0.10 . 1 . . . . 63 A CA . 19234 1 635 . 1 1 63 63 ALA CB C 13 19.633 0.10 . 1 . . . . 63 A CB . 19234 1 636 . 1 1 63 63 ALA N N 15 125.373 0.10 . 1 . . . . 63 A N . 19234 1 637 . 1 1 64 64 SER H H 1 8.880 0.025 . 1 . . . . 64 S HN . 19234 1 638 . 1 1 64 64 SER HA H 1 4.712 0.025 . 1 . . . . 64 S HA . 19234 1 639 . 1 1 64 64 SER HB2 H 1 3.846 0.025 . 2 . . . . 64 S HB2 . 19234 1 640 . 1 1 64 64 SER HB3 H 1 3.928 0.025 . 2 . . . . 64 S HB3 . 19234 1 641 . 1 1 64 64 SER CA C 13 58.212 0.10 . 1 . . . . 64 S CA . 19234 1 642 . 1 1 64 64 SER CB C 13 64.002 0.10 . 1 . . . . 64 S CB . 19234 1 643 . 1 1 64 64 SER N N 15 116.232 0.10 . 1 . . . . 64 S N . 19234 1 644 . 1 1 65 65 CYS H H 1 8.746 0.025 . 1 . . . . 65 C HN . 19234 1 645 . 1 1 65 65 CYS HA H 1 5.191 0.025 . 1 . . . . 65 C HA . 19234 1 646 . 1 1 65 65 CYS HB3 H 1 2.317 0.025 . 2 . . . . 65 C HB3 . 19234 1 647 . 1 1 65 65 CYS CA C 13 55.830 0.10 . 1 . . . . 65 C CA . 19234 1 648 . 1 1 65 65 CYS CB C 13 38.015 0.10 . 1 . . . . 65 C CB . 19234 1 649 . 1 1 65 65 CYS N N 15 126.711 0.10 . 1 . . . . 65 C N . 19234 1 650 . 1 1 66 66 GLN H H 1 8.933 0.025 . 1 . . . . 66 Q HN . 19234 1 651 . 1 1 66 66 GLN HA H 1 4.664 0.025 . 1 . . . . 66 Q HA . 19234 1 652 . 1 1 66 66 GLN HB2 H 1 2.394 0.025 . 2 . . . . 66 Q HB2 . 19234 1 653 . 1 1 66 66 GLN HB3 H 1 2.298 0.025 . 2 . . . . 66 Q HB3 . 19234 1 654 . 1 1 66 66 GLN HG2 H 1 1.984 0.025 . 2 . . . . 66 Q HG2 . 19234 1 655 . 1 1 66 66 GLN HE21 H 1 6.883 0.025 . 2 . . . . 66 Q HE21 . 19234 1 656 . 1 1 66 66 GLN HE22 H 1 7.571 0.025 . 2 . . . . 66 Q HE22 . 19234 1 657 . 1 1 66 66 GLN CA C 13 55.451 0.10 . 1 . . . . 66 Q CA . 19234 1 658 . 1 1 66 66 GLN CB C 13 34.090 0.10 . 1 . . . . 66 Q CB . 19234 1 659 . 1 1 66 66 GLN CG C 13 33.265 0.10 . 1 . . . . 66 Q CG . 19234 1 660 . 1 1 66 66 GLN N N 15 129.412 0.10 . 1 . . . . 66 Q N . 19234 1 661 . 1 1 66 66 GLN NE2 N 15 112.379 0.10 . 1 . . . . 66 Q NE2 . 19234 1 662 . 1 1 67 67 ASN H H 1 8.723 0.025 . 1 . . . . 67 N HN . 19234 1 663 . 1 1 67 67 ASN HA H 1 5.141 0.025 . 1 . . . . 67 N HA . 19234 1 664 . 1 1 67 67 ASN HB2 H 1 2.746 0.025 . 2 . . . . 67 N HB2 . 19234 1 665 . 1 1 67 67 ASN HB3 H 1 2.682 0.025 . 2 . . . . 67 N HB3 . 19234 1 666 . 1 1 67 67 ASN HD21 H 1 7.479 0.025 . 2 . . . . 67 N HD21 . 19234 1 667 . 1 1 67 67 ASN HD22 H 1 6.918 0.025 . 2 . . . . 67 N HD22 . 19234 1 668 . 1 1 67 67 ASN CA C 13 53.452 0.10 . 1 . . . . 67 N CA . 19234 1 669 . 1 1 67 67 ASN CB C 13 39.857 0.10 . 1 . . . . 67 N CB . 19234 1 670 . 1 1 67 67 ASN N N 15 123.283 0.10 . 1 . . . . 67 N N . 19234 1 671 . 1 1 67 67 ASN ND2 N 15 112.945 0.10 . 1 . . . . 67 N ND2 . 19234 1 672 . 1 1 68 68 ALA H H 1 8.819 0.025 . 1 . . . . 68 A HN . 19234 1 673 . 1 1 68 68 ALA HA H 1 4.578 0.025 . 1 . . . . 68 A HA . 19234 1 674 . 1 1 68 68 ALA HB1 H 1 1.316 0.025 . 1 . . . . 68 A HB . 19234 1 675 . 1 1 68 68 ALA HB2 H 1 1.316 0.025 . 1 . . . . 68 A HB . 19234 1 676 . 1 1 68 68 ALA HB3 H 1 1.316 0.025 . 1 . . . . 68 A HB . 19234 1 677 . 1 1 68 68 ALA CA C 13 50.740 0.10 . 1 . . . . 68 A CA . 19234 1 678 . 1 1 68 68 ALA CB C 13 21.654 0.10 . 1 . . . . 68 A CB . 19234 1 679 . 1 1 68 68 ALA N N 15 126.870 0.10 . 1 . . . . 68 A N . 19234 1 680 . 1 1 69 69 GLU H H 1 8.424 0.025 . 1 . . . . 69 E HN . 19234 1 681 . 1 1 69 69 GLU HA H 1 4.398 0.025 . 1 . . . . 69 E HA . 19234 1 682 . 1 1 69 69 GLU HB2 H 1 1.920 0.025 . 2 . . . . 69 E HB2 . 19234 1 683 . 1 1 69 69 GLU HB3 H 1 1.975 0.025 . 2 . . . . 69 E HB3 . 19234 1 684 . 1 1 69 69 GLU HG2 H 1 2.223 0.025 . 2 . . . . 69 E HG2 . 19234 1 685 . 1 1 69 69 GLU HG3 H 1 2.226 0.025 . 2 . . . . 69 E HG3 . 19234 1 686 . 1 1 69 69 GLU CA C 13 56.065 0.10 . 1 . . . . 69 E CA . 19234 1 687 . 1 1 69 69 GLU CB C 13 29.465 0.10 . 1 . . . . 69 E CB . 19234 1 688 . 1 1 69 69 GLU CG C 13 35.989 0.10 . 1 . . . . 69 E CG . 19234 1 689 . 1 1 69 69 GLU N N 15 120.858 0.10 . 1 . . . . 69 E N . 19234 1 690 . 1 1 70 70 SER H H 1 7.912 0.025 . 1 . . . . 70 S HN . 19234 1 691 . 1 1 70 70 SER HA H 1 4.521 0.025 . 1 . . . . 70 S HA . 19234 1 692 . 1 1 70 70 SER HB2 H 1 3.826 0.025 . 2 . . . . 70 S HB2 . 19234 1 693 . 1 1 70 70 SER HB3 H 1 3.181 0.025 . 2 . . . . 70 S HB3 . 19234 1 694 . 1 1 70 70 SER CA C 13 57.678 0.10 . 1 . . . . 70 S CA . 19234 1 695 . 1 1 70 70 SER CB C 13 63.805 0.10 . 1 . . . . 70 S CB . 19234 1 696 . 1 1 70 70 SER N N 15 117.973 0.10 . 1 . . . . 70 S N . 19234 1 697 . 1 1 71 71 THR H H 1 8.176 0.025 . 1 . . . . 71 T HN . 19234 1 698 . 1 1 71 71 THR HA H 1 4.340 0.025 . 1 . . . . 71 T HA . 19234 1 699 . 1 1 71 71 THR HB H 1 4.417 0.025 . 1 . . . . 71 T HB . 19234 1 700 . 1 1 71 71 THR HG21 H 1 1.248 0.025 . 1 . . . . 71 T HG2 . 19234 1 701 . 1 1 71 71 THR HG22 H 1 1.248 0.025 . 1 . . . . 71 T HG2 . 19234 1 702 . 1 1 71 71 THR HG23 H 1 1.248 0.025 . 1 . . . . 71 T HG2 . 19234 1 703 . 1 1 71 71 THR CA C 13 62.341 0.10 . 1 . . . . 71 T CA . 19234 1 704 . 1 1 71 71 THR CB C 13 68.978 0.10 . 1 . . . . 71 T CB . 19234 1 705 . 1 1 71 71 THR CG2 C 13 21.476 0.10 . 1 . . . . 71 T CG2 . 19234 1 706 . 1 1 71 71 THR N N 15 114.526 0.10 . 1 . . . . 71 T N . 19234 1 707 . 1 1 72 72 GLU H H 1 8.553 0.025 . 1 . . . . 72 E HN . 19234 1 708 . 1 1 72 72 GLU HA H 1 4.485 0.025 . 1 . . . . 72 E HA . 19234 1 709 . 1 1 72 72 GLU HB2 H 1 1.869 0.025 . 2 . . . . 72 E HB2 . 19234 1 710 . 1 1 72 72 GLU HB3 H 1 1.981 0.025 . 2 . . . . 72 E HB3 . 19234 1 711 . 1 1 72 72 GLU HG2 H 1 2.235 0.025 . 2 . . . . 72 E HG2 . 19234 1 712 . 1 1 72 72 GLU HG3 H 1 2.235 0.025 . 2 . . . . 72 E HG3 . 19234 1 713 . 1 1 72 72 GLU CA C 13 55.109 0.10 . 1 . . . . 72 E CA . 19234 1 714 . 1 1 72 72 GLU CB C 13 30.034 0.10 . 1 . . . . 72 E CB . 19234 1 715 . 1 1 72 72 GLU CG C 13 35.957 0.10 . 1 . . . . 72 E CG . 19234 1 716 . 1 1 72 72 GLU N N 15 123.261 0.10 . 1 . . . . 72 E N . 19234 1 717 . 1 1 73 73 ASN H H 1 9.050 0.025 . 1 . . . . 73 N HN . 19234 1 718 . 1 1 73 73 ASN HA H 1 4.210 0.025 . 1 . . . . 73 N HA . 19234 1 719 . 1 1 73 73 ASN HB2 H 1 2.804 0.025 . 2 . . . . 73 N HB2 . 19234 1 720 . 1 1 73 73 ASN HB3 H 1 2.758 0.025 . 2 . . . . 73 N HB3 . 19234 1 721 . 1 1 73 73 ASN HD21 H 1 6.924 0.025 . 2 . . . . 73 N HD21 . 19234 1 722 . 1 1 73 73 ASN HD22 H 1 7.489 0.025 . 2 . . . . 73 N HD22 . 19234 1 723 . 1 1 73 73 ASN CA C 13 56.844 0.10 . 1 . . . . 73 N CA . 19234 1 724 . 1 1 73 73 ASN CB C 13 38.311 0.10 . 1 . . . . 73 N CB . 19234 1 725 . 1 1 73 73 ASN N N 15 125.154 0.10 . 1 . . . . 73 N N . 19234 1 726 . 1 1 73 73 ASN ND2 N 15 112.463 0.10 . 1 . . . . 73 N ND2 . 19234 1 727 . 1 1 74 74 SER H H 1 8.594 0.025 . 1 . . . . 74 S HN . 19234 1 728 . 1 1 74 74 SER HA H 1 3.916 0.025 . 1 . . . . 74 S HA . 19234 1 729 . 1 1 74 74 SER HB2 H 1 3.955 0.025 . 2 . . . . 74 S HB2 . 19234 1 730 . 1 1 74 74 SER HB3 H 1 4.066 0.025 . 2 . . . . 74 S HB3 . 19234 1 731 . 1 1 74 74 SER CA C 13 60.113 0.10 . 1 . . . . 74 S CA . 19234 1 732 . 1 1 74 74 SER CB C 13 63.061 0.10 . 1 . . . . 74 S CB . 19234 1 733 . 1 1 74 74 SER N N 15 112.090 0.10 . 1 . . . . 74 S N . 19234 1 734 . 1 1 75 75 LYS H H 1 7.795 0.025 . 1 . . . . 75 K HN . 19234 1 735 . 1 1 75 75 LYS HA H 1 4.669 0.025 . 1 . . . . 75 K HA . 19234 1 736 . 1 1 75 75 LYS HG2 H 1 1.376 0.025 . 2 . . . . 75 K HG2 . 19234 1 737 . 1 1 75 75 LYS HG3 H 1 1.272 0.025 . 2 . . . . 75 K HG3 . 19234 1 738 . 1 1 75 75 LYS HD2 H 1 1.581 0.025 . 2 . . . . 75 K HD2 . 19234 1 739 . 1 1 75 75 LYS HD3 H 1 1.686 0.025 . 2 . . . . 75 K HD3 . 19234 1 740 . 1 1 75 75 LYS HE2 H 1 2.981 0.025 . 2 . . . . 75 K HE2 . 19234 1 741 . 1 1 75 75 LYS HE3 H 1 2.981 0.025 . 2 . . . . 75 K HE3 . 19234 1 742 . 1 1 75 75 LYS CA C 13 55.213 0.10 . 1 . . . . 75 K CA . 19234 1 743 . 1 1 75 75 LYS CG C 13 24.860 0.10 . 1 . . . . 75 K CG . 19234 1 744 . 1 1 75 75 LYS CD C 13 28.734 0.10 . 1 . . . . 75 K CD . 19234 1 745 . 1 1 75 75 LYS CE C 13 42.422 0.10 . 1 . . . . 75 K CE . 19234 1 746 . 1 1 75 75 LYS N N 15 121.719 0.10 . 1 . . . . 75 K N . 19234 1 747 . 1 1 76 76 LYS H H 1 6.890 0.025 . 1 . . . . 76 K HN . 19234 1 748 . 1 1 76 76 LYS HA H 1 4.307 0.025 . 1 . . . . 76 K HA . 19234 1 749 . 1 1 76 76 LYS HB2 H 1 1.640 0.025 . 2 . . . . 76 K HB2 . 19234 1 750 . 1 1 76 76 LYS HB3 H 1 2.203 0.025 . 2 . . . . 76 K HB3 . 19234 1 751 . 1 1 76 76 LYS HG2 H 1 1.726 0.025 . 2 . . . . 76 K HG2 . 19234 1 752 . 1 1 76 76 LYS HG3 H 1 1.494 0.025 . 2 . . . . 76 K HG3 . 19234 1 753 . 1 1 76 76 LYS HD2 H 1 1.833 0.025 . 2 . . . . 76 K HD2 . 19234 1 754 . 1 1 76 76 LYS HD3 H 1 1.635 0.025 . 2 . . . . 76 K HD3 . 19234 1 755 . 1 1 76 76 LYS HE2 H 1 3.053 0.025 . 2 . . . . 76 K HE2 . 19234 1 756 . 1 1 76 76 LYS HE3 H 1 2.780 0.025 . 2 . . . . 76 K HE3 . 19234 1 757 . 1 1 76 76 LYS CA C 13 58.334 0.10 . 1 . . . . 76 K CA . 19234 1 758 . 1 1 76 76 LYS CB C 13 34.657 0.10 . 1 . . . . 76 K CB . 19234 1 759 . 1 1 76 76 LYS CG C 13 26.766 0.10 . 1 . . . . 76 K CG . 19234 1 760 . 1 1 76 76 LYS CD C 13 30.547 0.10 . 1 . . . . 76 K CD . 19234 1 761 . 1 1 76 76 LYS CE C 13 42.659 0.10 . 1 . . . . 76 K CE . 19234 1 762 . 1 1 76 76 LYS N N 15 117.897 0.10 . 1 . . . . 76 K N . 19234 1 763 . 1 1 77 77 ILE H H 1 7.656 0.025 . 1 . . . . 77 I HN . 19234 1 764 . 1 1 77 77 ILE HA H 1 4.831 0.025 . 1 . . . . 77 I HA . 19234 1 765 . 1 1 77 77 ILE HB H 1 1.869 0.025 . 1 . . . . 77 I HB . 19234 1 766 . 1 1 77 77 ILE HG12 H 1 1.354 0.025 . 2 . . . . 77 I HG12 . 19234 1 767 . 1 1 77 77 ILE HG13 H 1 1.623 0.025 . 2 . . . . 77 I HG13 . 19234 1 768 . 1 1 77 77 ILE HG21 H 1 0.958 0.025 . 1 . . . . 77 I HG2 . 19234 1 769 . 1 1 77 77 ILE HG22 H 1 0.958 0.025 . 1 . . . . 77 I HG2 . 19234 1 770 . 1 1 77 77 ILE HG23 H 1 0.958 0.025 . 1 . . . . 77 I HG2 . 19234 1 771 . 1 1 77 77 ILE HD11 H 1 0.637 0.025 . 1 . . . . 77 I HD1 . 19234 1 772 . 1 1 77 77 ILE HD12 H 1 0.637 0.025 . 1 . . . . 77 I HD1 . 19234 1 773 . 1 1 77 77 ILE HD13 H 1 0.637 0.025 . 1 . . . . 77 I HD1 . 19234 1 774 . 1 1 77 77 ILE CA C 13 56.990 0.10 . 1 . . . . 77 I CA . 19234 1 775 . 1 1 77 77 ILE CB C 13 39.713 0.10 . 1 . . . . 77 I CB . 19234 1 776 . 1 1 77 77 ILE CG1 C 13 25.586 0.10 . 1 . . . . 77 I CG1 . 19234 1 777 . 1 1 77 77 ILE CG2 C 13 18.783 0.10 . 1 . . . . 77 I CG2 . 19234 1 778 . 1 1 77 77 ILE CD1 C 13 10.463 0.10 . 1 . . . . 77 I CD1 . 19234 1 779 . 1 1 77 77 ILE N N 15 119.366 0.10 . 1 . . . . 77 I N . 19234 1 780 . 1 1 78 78 ILE H H 1 8.938 0.025 . 1 . . . . 78 I HN . 19234 1 781 . 1 1 78 78 ILE HA H 1 4.214 0.025 . 1 . . . . 78 I HA . 19234 1 782 . 1 1 78 78 ILE HB H 1 1.607 0.025 . 1 . . . . 78 I HB . 19234 1 783 . 1 1 78 78 ILE HG12 H 1 1.377 0.025 . 2 . . . . 78 I HG12 . 19234 1 784 . 1 1 78 78 ILE HG13 H 1 1.001 0.025 . 2 . . . . 78 I HG13 . 19234 1 785 . 1 1 78 78 ILE HG21 H 1 0.819 0.025 . 1 . . . . 78 I HG2 . 19234 1 786 . 1 1 78 78 ILE HG22 H 1 0.819 0.025 . 1 . . . . 78 I HG2 . 19234 1 787 . 1 1 78 78 ILE HG23 H 1 0.819 0.025 . 1 . . . . 78 I HG2 . 19234 1 788 . 1 1 78 78 ILE HD11 H 1 0.771 0.025 . 1 . . . . 78 I HD1 . 19234 1 789 . 1 1 78 78 ILE HD12 H 1 0.771 0.025 . 1 . . . . 78 I HD1 . 19234 1 790 . 1 1 78 78 ILE HD13 H 1 0.771 0.025 . 1 . . . . 78 I HD1 . 19234 1 791 . 1 1 78 78 ILE CA C 13 60.338 0.10 . 1 . . . . 78 I CA . 19234 1 792 . 1 1 78 78 ILE CB C 13 40.422 0.10 . 1 . . . . 78 I CB . 19234 1 793 . 1 1 78 78 ILE CG1 C 13 27.080 0.10 . 1 . . . . 78 I CG1 . 19234 1 794 . 1 1 78 78 ILE CG2 C 13 17.389 0.10 . 1 . . . . 78 I CG2 . 19234 1 795 . 1 1 78 78 ILE CD1 C 13 13.180 0.10 . 1 . . . . 78 I CD1 . 19234 1 796 . 1 1 78 78 ILE N N 15 125.795 0.10 . 1 . . . . 78 I N . 19234 1 797 . 1 1 79 79 CYS H H 1 9.324 0.025 . 1 . . . . 79 C HN . 19234 1 798 . 1 1 79 79 CYS HA H 1 5.562 0.025 . 1 . . . . 79 C HA . 19234 1 799 . 1 1 79 79 CYS HB2 H 1 2.765 0.025 . 2 . . . . 79 C HB2 . 19234 1 800 . 1 1 79 79 CYS HB3 H 1 3.593 0.025 . 2 . . . . 79 C HB3 . 19234 1 801 . 1 1 79 79 CYS CA C 13 52.050 0.10 . 1 . . . . 79 C CA . 19234 1 802 . 1 1 79 79 CYS CB C 13 39.123 0.10 . 1 . . . . 79 C CB . 19234 1 803 . 1 1 79 79 CYS N N 15 128.836 0.10 . 1 . . . . 79 C N . 19234 1 804 . 1 1 80 80 THR H H 1 8.960 0.025 . 1 . . . . 80 T HN . 19234 1 805 . 1 1 80 80 THR HA H 1 4.643 0.025 . 1 . . . . 80 T HA . 19234 1 806 . 1 1 80 80 THR HB H 1 3.974 0.025 . 1 . . . . 80 T HB . 19234 1 807 . 1 1 80 80 THR HG21 H 1 1.253 0.025 . 1 . . . . 80 T HG2 . 19234 1 808 . 1 1 80 80 THR HG22 H 1 1.253 0.025 . 1 . . . . 80 T HG2 . 19234 1 809 . 1 1 80 80 THR HG23 H 1 1.253 0.025 . 1 . . . . 80 T HG2 . 19234 1 810 . 1 1 80 80 THR CA C 13 61.698 0.10 . 1 . . . . 80 T CA . 19234 1 811 . 1 1 80 80 THR CB C 13 70.643 0.10 . 1 . . . . 80 T CB . 19234 1 812 . 1 1 80 80 THR CG2 C 13 21.075 0.10 . 1 . . . . 80 T CG2 . 19234 1 813 . 1 1 80 80 THR N N 15 119.260 0.10 . 1 . . . . 80 T N . 19234 1 814 . 1 1 81 81 CYS H H 1 9.304 0.025 . 1 . . . . 81 C HN . 19234 1 815 . 1 1 81 81 CYS HA H 1 4.618 0.025 . 1 . . . . 81 C HA . 19234 1 816 . 1 1 81 81 CYS HB2 H 1 2.458 0.025 . 2 . . . . 81 C HB2 . 19234 1 817 . 1 1 81 81 CYS HB3 H 1 4.027 0.025 . 2 . . . . 81 C HB3 . 19234 1 818 . 1 1 81 81 CYS CA C 13 55.048 0.10 . 1 . . . . 81 C CA . 19234 1 819 . 1 1 81 81 CYS CB C 13 37.529 0.10 . 1 . . . . 81 C CB . 19234 1 820 . 1 1 81 81 CYS N N 15 128.499 0.10 . 1 . . . . 81 C N . 19234 1 821 . 1 1 82 82 LYS H H 1 8.981 0.025 . 1 . . . . 82 K HN . 19234 1 822 . 1 1 82 82 LYS HA H 1 4.682 0.025 . 1 . . . . 82 K HA . 19234 1 823 . 1 1 82 82 LYS HB2 H 1 1.893 0.025 . 2 . . . . 82 K HB2 . 19234 1 824 . 1 1 82 82 LYS HB3 H 1 1.726 0.025 . 2 . . . . 82 K HB3 . 19234 1 825 . 1 1 82 82 LYS HG2 H 1 1.473 0.025 . 2 . . . . 82 K HG2 . 19234 1 826 . 1 1 82 82 LYS HG3 H 1 1.471 0.025 . 2 . . . . 82 K HG3 . 19234 1 827 . 1 1 82 82 LYS HD2 H 1 1.723 0.025 . 2 . . . . 82 K HD2 . 19234 1 828 . 1 1 82 82 LYS HD3 H 1 1.683 0.025 . 2 . . . . 82 K HD3 . 19234 1 829 . 1 1 82 82 LYS HE2 H 1 3.003 0.025 . 2 . . . . 82 K HE2 . 19234 1 830 . 1 1 82 82 LYS HE3 H 1 3.000 0.025 . 2 . . . . 82 K HE3 . 19234 1 831 . 1 1 82 82 LYS CA C 13 54.168 0.10 . 1 . . . . 82 K CA . 19234 1 832 . 1 1 82 82 LYS CB C 13 35.812 0.10 . 1 . . . . 82 K CB . 19234 1 833 . 1 1 82 82 LYS CG C 13 23.961 0.10 . 1 . . . . 82 K CG . 19234 1 834 . 1 1 82 82 LYS CD C 13 29.087 0.10 . 1 . . . . 82 K CD . 19234 1 835 . 1 1 82 82 LYS CE C 13 42.255 0.10 . 1 . . . . 82 K CE . 19234 1 836 . 1 1 82 82 LYS N N 15 121.601 0.10 . 1 . . . . 82 K N . 19234 1 837 . 1 1 83 83 GLU H H 1 8.726 0.025 . 1 . . . . 83 E HN . 19234 1 838 . 1 1 83 83 GLU HA H 1 3.978 0.025 . 1 . . . . 83 E HA . 19234 1 839 . 1 1 83 83 GLU HB2 H 1 1.804 0.025 . 2 . . . . 83 E HB2 . 19234 1 840 . 1 1 83 83 GLU HB3 H 1 2.013 0.025 . 2 . . . . 83 E HB3 . 19234 1 841 . 1 1 83 83 GLU CA C 13 56.233 0.10 . 1 . . . . 83 E CA . 19234 1 842 . 1 1 83 83 GLU CB C 13 28.468 0.10 . 1 . . . . 83 E CB . 19234 1 843 . 1 1 83 83 GLU N N 15 120.559 0.10 . 1 . . . . 83 E N . 19234 1 844 . 1 1 84 84 PRO HA H 1 5.214 0.025 . 1 . . . . 84 P HA . 19234 1 845 . 1 1 84 84 PRO HB2 H 1 2.600 0.025 . 2 . . . . 84 P HB2 . 19234 1 846 . 1 1 84 84 PRO HB3 H 1 2.233 0.025 . 2 . . . . 84 P HB3 . 19234 1 847 . 1 1 84 84 PRO HG2 H 1 2.079 0.025 . 2 . . . . 84 P HG2 . 19234 1 848 . 1 1 84 84 PRO HG3 H 1 1.747 0.025 . 2 . . . . 84 P HG3 . 19234 1 849 . 1 1 84 84 PRO HD2 H 1 3.532 0.025 . 2 . . . . 84 P HD2 . 19234 1 850 . 1 1 84 84 PRO HD3 H 1 3.683 0.025 . 2 . . . . 84 P HD3 . 19234 1 851 . 1 1 84 84 PRO CA C 13 63.989 0.10 . 1 . . . . 84 P CA . 19234 1 852 . 1 1 84 84 PRO CB C 13 33.096 0.10 . 1 . . . . 84 P CB . 19234 1 853 . 1 1 84 84 PRO CG C 13 24.706 0.10 . 1 . . . . 84 P CG . 19234 1 854 . 1 1 84 84 PRO CD C 13 49.955 0.10 . 1 . . . . 84 P CD . 19234 1 855 . 1 1 85 85 THR H H 1 9.039 0.025 . 1 . . . . 85 T HN . 19234 1 856 . 1 1 85 85 THR HA H 1 4.388 0.025 . 1 . . . . 85 T HA . 19234 1 857 . 1 1 85 85 THR HB H 1 3.774 0.025 . 1 . . . . 85 T HB . 19234 1 858 . 1 1 85 85 THR HG21 H 1 1.026 0.025 . 1 . . . . 85 T HG2 . 19234 1 859 . 1 1 85 85 THR HG22 H 1 1.026 0.025 . 1 . . . . 85 T HG2 . 19234 1 860 . 1 1 85 85 THR HG23 H 1 1.026 0.025 . 1 . . . . 85 T HG2 . 19234 1 861 . 1 1 85 85 THR CA C 13 57.142 0.10 . 1 . . . . 85 T CA . 19234 1 862 . 1 1 85 85 THR CB C 13 68.647 0.10 . 1 . . . . 85 T CB . 19234 1 863 . 1 1 85 85 THR CG2 C 13 20.830 0.10 . 1 . . . . 85 T CG2 . 19234 1 864 . 1 1 85 85 THR N N 15 116.171 0.10 . 1 . . . . 85 T N . 19234 1 865 . 1 1 86 86 PRO HA H 1 4.323 0.025 . 1 . . . . 86 P HA . 19234 1 866 . 1 1 86 86 PRO HB2 H 1 1.972 0.025 . 2 . . . . 86 P HB2 . 19234 1 867 . 1 1 86 86 PRO HB3 H 1 2.332 0.025 . 2 . . . . 86 P HB3 . 19234 1 868 . 1 1 86 86 PRO HG2 H 1 2.021 0.025 . 2 . . . . 86 P HG2 . 19234 1 869 . 1 1 86 86 PRO HG3 H 1 2.021 0.025 . 2 . . . . 86 P HG3 . 19234 1 870 . 1 1 86 86 PRO HD2 H 1 3.979 0.025 . 2 . . . . 86 P HD2 . 19234 1 871 . 1 1 86 86 PRO HD3 H 1 3.869 0.025 . 2 . . . . 86 P HD3 . 19234 1 872 . 1 1 86 86 PRO CA C 13 64.137 0.10 . 1 . . . . 86 P CA . 19234 1 873 . 1 1 86 86 PRO CB C 13 32.212 0.10 . 1 . . . . 86 P CB . 19234 1 874 . 1 1 86 86 PRO CG C 13 27.187 0.10 . 1 . . . . 86 P CG . 19234 1 875 . 1 1 86 86 PRO CD C 13 51.245 0.10 . 1 . . . . 86 P CD . 19234 1 876 . 1 1 87 87 ASN H H 1 8.101 0.025 . 1 . . . . 87 N HN . 19234 1 877 . 1 1 87 87 ASN HA H 1 4.722 0.025 . 1 . . . . 87 N HA . 19234 1 878 . 1 1 87 87 ASN HB2 H 1 2.894 0.025 . 2 . . . . 87 N HB2 . 19234 1 879 . 1 1 87 87 ASN HB3 H 1 2.601 0.025 . 2 . . . . 87 N HB3 . 19234 1 880 . 1 1 87 87 ASN HD21 H 1 7.291 0.025 . 2 . . . . 87 N HD21 . 19234 1 881 . 1 1 87 87 ASN HD22 H 1 6.809 0.025 . 2 . . . . 87 N HD22 . 19234 1 882 . 1 1 87 87 ASN CA C 13 53.679 0.10 . 1 . . . . 87 N CA . 19234 1 883 . 1 1 87 87 ASN CB C 13 39.255 0.10 . 1 . . . . 87 N CB . 19234 1 884 . 1 1 87 87 ASN N N 15 120.073 0.10 . 1 . . . . 87 N N . 19234 1 885 . 1 1 87 87 ASN ND2 N 15 113.975 0.10 . 1 . . . . 87 N ND2 . 19234 1 886 . 1 1 88 88 ALA H H 1 8.524 0.025 . 1 . . . . 88 A HN . 19234 1 887 . 1 1 88 88 ALA HA H 1 5.208 0.025 . 1 . . . . 88 A HA . 19234 1 888 . 1 1 88 88 ALA HB1 H 1 1.314 0.025 . 1 . . . . 88 A HB . 19234 1 889 . 1 1 88 88 ALA HB2 H 1 1.314 0.025 . 1 . . . . 88 A HB . 19234 1 890 . 1 1 88 88 ALA HB3 H 1 1.314 0.025 . 1 . . . . 88 A HB . 19234 1 891 . 1 1 88 88 ALA CA C 13 52.373 0.10 . 1 . . . . 88 A CA . 19234 1 892 . 1 1 88 88 ALA CB C 13 21.670 0.10 . 1 . . . . 88 A CB . 19234 1 893 . 1 1 88 88 ALA N N 15 127.685 0.10 . 1 . . . . 88 A N . 19234 1 894 . 1 1 89 89 TYR H H 1 8.946 0.025 . 1 . . . . 89 Y H . 19234 1 895 . 1 1 89 89 TYR HA H 1 4.611 0.025 . 1 . . . . 89 Y HA . 19234 1 896 . 1 1 89 89 TYR HB2 H 1 2.895 0.025 . 2 . . . . 89 Y HB2 . 19234 1 897 . 1 1 89 89 TYR HB3 H 1 2.926 0.025 . 2 . . . . 89 Y HB3 . 19234 1 898 . 1 1 89 89 TYR HD1 H 1 7.071 0.025 . 3 . . . . 89 Y HD . 19234 1 899 . 1 1 89 89 TYR HD2 H 1 7.071 0.025 . 3 . . . . 89 Y HD . 19234 1 900 . 1 1 89 89 TYR HE1 H 1 6.765 0.025 . 3 . . . . 89 Y HE . 19234 1 901 . 1 1 89 89 TYR HE2 H 1 6.765 0.025 . 3 . . . . 89 Y HE . 19234 1 902 . 1 1 89 89 TYR CA C 13 57.063 0.10 . 1 . . . . 89 Y CA . 19234 1 903 . 1 1 89 89 TYR CB C 13 41.002 0.10 . 1 . . . . 89 Y CB . 19234 1 904 . 1 1 89 89 TYR CD1 C 13 133.507 0.10 . 1 . . . . 89 Y CD1 . 19234 1 905 . 1 1 89 89 TYR CE1 C 13 118.493 0.10 . 1 . . . . 89 Y CE1 . 19234 1 906 . 1 1 89 89 TYR N N 15 120.516 0.10 . 1 . . . . 89 Y N . 19234 1 907 . 1 1 90 90 TYR H H 1 9.590 0.025 . 1 . . . . 90 Y H . 19234 1 908 . 1 1 90 90 TYR HA H 1 4.337 0.025 . 1 . . . . 90 Y HA . 19234 1 909 . 1 1 90 90 TYR HB2 H 1 3.243 0.025 . 2 . . . . 90 Y HB2 . 19234 1 910 . 1 1 90 90 TYR HB3 H 1 3.406 0.025 . 2 . . . . 90 Y HB3 . 19234 1 911 . 1 1 90 90 TYR HD1 H 1 7.260 0.025 . 3 . . . . 90 Y HD . 19234 1 912 . 1 1 90 90 TYR HD2 H 1 7.260 0.025 . 3 . . . . 90 Y HD . 19234 1 913 . 1 1 90 90 TYR HE1 H 1 7.136 0.025 . 3 . . . . 90 Y HE . 19234 1 914 . 1 1 90 90 TYR HE2 H 1 7.136 0.025 . 3 . . . . 90 Y HE . 19234 1 915 . 1 1 90 90 TYR CA C 13 59.739 0.10 . 1 . . . . 90 Y CA . 19234 1 916 . 1 1 90 90 TYR CB C 13 35.808 0.10 . 1 . . . . 90 Y CB . 19234 1 917 . 1 1 90 90 TYR CD1 C 13 133.735 0.10 . 1 . . . . 90 Y CD1 . 19234 1 918 . 1 1 90 90 TYR CE1 C 13 118.861 0.10 . 1 . . . . 90 Y CE1 . 19234 1 919 . 1 1 90 90 TYR N N 15 123.745 0.10 . 1 . . . . 90 Y N . 19234 1 920 . 1 1 91 91 GLU H H 1 8.995 0.025 . 1 . . . . 91 E HN . 19234 1 921 . 1 1 91 91 GLU HA H 1 3.891 0.025 . 1 . . . . 91 E HA . 19234 1 922 . 1 1 91 91 GLU HB2 H 1 2.317 0.025 . 2 . . . . 91 E HB2 . 19234 1 923 . 1 1 91 91 GLU HB3 H 1 2.542 0.025 . 2 . . . . 91 E HB3 . 19234 1 924 . 1 1 91 91 GLU HG2 H 1 2.243 0.025 . 2 . . . . 91 E HG2 . 19234 1 925 . 1 1 91 91 GLU HG3 H 1 2.301 0.025 . 2 . . . . 91 E HG3 . 19234 1 926 . 1 1 91 91 GLU CA C 13 57.063 0.10 . 1 . . . . 91 E CA . 19234 1 927 . 1 1 91 91 GLU CB C 13 26.953 0.10 . 1 . . . . 91 E CB . 19234 1 928 . 1 1 91 91 GLU CG C 13 36.588 0.10 . 1 . . . . 91 E CG . 19234 1 929 . 1 1 91 91 GLU N N 15 110.020 0.10 . 1 . . . . 91 E N . 19234 1 930 . 1 1 92 92 GLY H H 1 7.470 0.025 . 1 . . . . 92 G HN . 19234 1 931 . 1 1 92 92 GLY HA2 H 1 3.427 0.025 . 2 . . . . 92 G HA2 . 19234 1 932 . 1 1 92 92 GLY HA3 H 1 4.167 0.025 . 2 . . . . 92 G HA3 . 19234 1 933 . 1 1 92 92 GLY CA C 13 45.474 0.10 . 1 . . . . 92 G CA . 19234 1 934 . 1 1 92 92 GLY N N 15 102.058 0.10 . 1 . . . . 92 G N . 19234 1 935 . 1 1 93 93 VAL H H 1 7.451 0.025 . 1 . . . . 93 V HN . 19234 1 936 . 1 1 93 93 VAL HA H 1 3.738 0.025 . 1 . . . . 93 V HA . 19234 1 937 . 1 1 93 93 VAL HB H 1 2.081 0.025 . 1 . . . . 93 V HB . 19234 1 938 . 1 1 93 93 VAL HG11 H 1 0.553 0.025 . 2 . . . . 93 V HG1 . 19234 1 939 . 1 1 93 93 VAL HG12 H 1 0.553 0.025 . 2 . . . . 93 V HG1 . 19234 1 940 . 1 1 93 93 VAL HG13 H 1 0.553 0.025 . 2 . . . . 93 V HG1 . 19234 1 941 . 1 1 93 93 VAL HG21 H 1 1.319 0.025 . 2 . . . . 93 V HG2 . 19234 1 942 . 1 1 93 93 VAL HG22 H 1 1.319 0.025 . 2 . . . . 93 V HG2 . 19234 1 943 . 1 1 93 93 VAL HG23 H 1 1.319 0.025 . 2 . . . . 93 V HG2 . 19234 1 944 . 1 1 93 93 VAL CA C 13 66.072 0.10 . 1 . . . . 93 V CA . 19234 1 945 . 1 1 93 93 VAL CB C 13 33.253 0.10 . 1 . . . . 93 V CB . 19234 1 946 . 1 1 93 93 VAL CG1 C 13 22.678 0.10 . 1 . . . . 93 V CG1 . 19234 1 947 . 1 1 93 93 VAL CG2 C 13 24.430 0.10 . 1 . . . . 93 V CG2 . 19234 1 948 . 1 1 93 93 VAL N N 15 122.352 0.10 . 1 . . . . 93 V N . 19234 1 949 . 1 1 94 94 PHE H H 1 7.885 0.025 . 1 . . . . 94 F HN . 19234 1 950 . 1 1 94 94 PHE HA H 1 4.925 0.025 . 1 . . . . 94 F HA . 19234 1 951 . 1 1 94 94 PHE HB2 H 1 2.454 0.025 . 2 . . . . 94 F HB2 . 19234 1 952 . 1 1 94 94 PHE HB3 H 1 2.253 0.025 . 2 . . . . 94 F HB3 . 19234 1 953 . 1 1 94 94 PHE HD1 H 1 6.940 0.025 . 3 . . . . 94 F HD . 19234 1 954 . 1 1 94 94 PHE HD2 H 1 6.940 0.025 . 3 . . . . 94 F HD . 19234 1 955 . 1 1 94 94 PHE HE1 H 1 7.067 0.025 . 3 . . . . 94 F HE . 19234 1 956 . 1 1 94 94 PHE HE2 H 1 7.067 0.025 . 3 . . . . 94 F HE . 19234 1 957 . 1 1 94 94 PHE HZ H 1 6.975 0.025 . 1 . . . . 94 F HZ . 19234 1 958 . 1 1 94 94 PHE CA C 13 56.660 0.10 . 1 . . . . 94 F CA . 19234 1 959 . 1 1 94 94 PHE CB C 13 42.815 0.10 . 1 . . . . 94 F CB . 19234 1 960 . 1 1 94 94 PHE CD1 C 13 133.008 0.10 . 1 . . . . 94 F CD1 . 19234 1 961 . 1 1 94 94 PHE CE1 C 13 0.000 0.10 . 1 . . . . 94 F CE1 . 19234 1 962 . 1 1 94 94 PHE CZ C 13 130.891 0.10 . 1 . . . . 94 F CZ . 19234 1 963 . 1 1 94 94 PHE N N 15 111.998 0.10 . 1 . . . . 94 F N . 19234 1 964 . 1 1 95 95 CYS H H 1 7.907 0.025 . 1 . . . . 95 C HN . 19234 1 965 . 1 1 95 95 CYS HA H 1 5.722 0.025 . 1 . . . . 95 C HA . 19234 1 966 . 1 1 95 95 CYS HB2 H 1 2.218 0.025 . 2 . . . . 95 C HB2 . 19234 1 967 . 1 1 95 95 CYS HB3 H 1 3.937 0.025 . 2 . . . . 95 C HB3 . 19234 1 968 . 1 1 95 95 CYS CA C 13 52.689 0.10 . 1 . . . . 95 C CA . 19234 1 969 . 1 1 95 95 CYS CB C 13 41.343 0.10 . 1 . . . . 95 C CB . 19234 1 970 . 1 1 95 95 CYS N N 15 119.511 0.10 . 1 . . . . 95 C N . 19234 1 971 . 1 1 96 96 SER H H 1 9.468 0.025 . 1 . . . . 96 S HN . 19234 1 972 . 1 1 96 96 SER HA H 1 4.920 0.025 . 1 . . . . 96 S HA . 19234 1 973 . 1 1 96 96 SER HB2 H 1 3.772 0.025 . 2 . . . . 96 S HB2 . 19234 1 974 . 1 1 96 96 SER HB3 H 1 3.825 0.025 . 2 . . . . 96 S HB3 . 19234 1 975 . 1 1 96 96 SER CA C 13 56.355 0.10 . 1 . . . . 96 S CA . 19234 1 976 . 1 1 96 96 SER CB C 13 66.732 0.10 . 1 . . . . 96 S CB . 19234 1 977 . 1 1 96 96 SER N N 15 117.096 0.10 . 1 . . . . 96 S N . 19234 1 978 . 1 1 97 97 SER H H 1 9.071 0.025 . 1 . . . . 97 S HN . 19234 1 979 . 1 1 97 97 SER HA H 1 4.822 0.025 . 1 . . . . 97 S HA . 19234 1 980 . 1 1 97 97 SER HB2 H 1 4.187 0.025 . 2 . . . . 97 S HB2 . 19234 1 981 . 1 1 97 97 SER HB3 H 1 4.298 0.025 . 2 . . . . 97 S HB3 . 19234 1 982 . 1 1 97 97 SER CB C 13 64.208 0.10 . 1 . . . . 97 S CB . 19234 1 983 . 1 1 97 97 SER N N 15 119.743 0.10 . 1 . . . . 97 S N . 19234 1 984 . 1 1 98 98 SER H H 1 8.956 0.025 . 1 . . . . 98 S HN . 19234 1 985 . 1 1 98 98 SER HA H 1 4.704 0.025 . 1 . . . . 98 S HA . 19234 1 986 . 1 1 98 98 SER HB2 H 1 3.998 0.025 . 2 . . . . 98 S HB2 . 19234 1 987 . 1 1 98 98 SER HB3 H 1 3.998 0.025 . 2 . . . . 98 S HB3 . 19234 1 988 . 1 1 98 98 SER CA C 13 58.603 0.10 . 1 . . . . 98 S CA . 19234 1 989 . 1 1 98 98 SER CB C 13 64.248 0.10 . 1 . . . . 98 S CB . 19234 1 990 . 1 1 98 98 SER N N 15 118.358 0.10 . 1 . . . . 98 S N . 19234 1 991 . 1 1 99 99 SER H H 1 8.261 0.025 . 1 . . . . 99 S HN . 19234 1 992 . 1 1 99 99 SER HA H 1 4.351 0.025 . 1 . . . . 99 S HA . 19234 1 993 . 1 1 99 99 SER HB2 H 1 3.905 0.025 . 2 . . . . 99 S HB2 . 19234 1 994 . 1 1 99 99 SER HB3 H 1 3.905 0.025 . 2 . . . . 99 S HB3 . 19234 1 995 . 1 1 99 99 SER CA C 13 60.188 0.10 . 1 . . . . 99 S CA . 19234 1 996 . 1 1 99 99 SER CB C 13 64.770 0.10 . 1 . . . . 99 S CB . 19234 1 997 . 1 1 99 99 SER N N 15 123.701 0.10 . 1 . . . . 99 S N . 19234 1 stop_ save_