data_19860 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19860 _Entry.Title ; Solution structure of a ribosomal protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-03-17 _Entry.Accession_date 2014-03-17 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _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 Yingang Feng . . . 19860 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19860 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Ribosomal protein' . 19860 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19860 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 360 19860 '15N chemical shifts' 83 19860 '1H chemical shifts' 579 19860 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2014-09-29 2014-03-17 update BMRB 'update entry citation' 19860 1 . . 2014-06-09 2014-03-17 original author 'original release' 19860 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MMP 'BMRB Entry Tracking System' 19860 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19860 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1016/j.bbrc.2014.05.077 _Citation.PubMed_ID 24875358 _Citation.Full_citation . _Citation.Title 'Structure determination of archaea-specific ribosomal protein L46a reveals a novel protein fold.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochem. Biophys. Res. Commun.' _Citation.Journal_name_full 'Biochemical and biophysical research communications' _Citation.Journal_volume 450 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1090-2104 _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 67 _Citation.Page_last 72 _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 Yingang Feng Y. . . 19860 1 2 Xiaxia Song X. . . 19860 1 3 Jinzhong Lin J. . . 19860 1 4 Jinsong Xuan J. . . 19860 1 5 Qiu Cui Q. . . 19860 1 6 Jinfeng Wang J. . . 19860 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19860 _Assembly.ID 1 _Assembly.Name 'a ribosomal protein' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 rib_prot 1 $rib_prot A . yes native no no . . . 19860 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_rib_prot _Entity.Sf_category entity _Entity.Sf_framecode rib_prot _Entity.Entry_ID 19860 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name rib_prot _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MLKHGKYVYIDLNNGKYVKV RILKSRDDNSVEKYVLTSHV SKNRPKNAIVIKMDNLPIEV KDKLTRFFLLEHHHHHH ; _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 77 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9223.893 _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 PDB 2MMP . "Solution Structure Of A Ribosomal Protein" . . . . . 100.00 77 100.00 100.00 5.89e-46 . . . . 19860 1 2 no GB ACX92136 . "conserved hypothetical protein [Sulfolobus solfataricus 98/2]" . . . . . 89.61 69 100.00 100.00 8.64e-40 . . . . 19860 1 3 no GB AKA74176 . "hypothetical protein SULB_1958 [Sulfolobus solfataricus]" . . . . . 89.61 69 100.00 100.00 8.64e-40 . . . . 19860 1 4 no GB AKA76874 . "hypothetical protein SULC_1956 [Sulfolobus solfataricus]" . . . . . 89.61 69 100.00 100.00 8.64e-40 . . . . 19860 1 5 no GB AKA79567 . "hypothetical protein SULA_1957 [Sulfolobus solfataricus]" . . . . . 89.61 69 100.00 100.00 8.64e-40 . . . . 19860 1 6 no REF WP_009992386 . "hypothetical protein [Sulfolobus solfataricus]" . . . . . 89.61 69 100.00 100.00 8.64e-40 . . . . 19860 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 MET . 19860 1 2 2 LEU . 19860 1 3 3 LYS . 19860 1 4 4 HIS . 19860 1 5 5 GLY . 19860 1 6 6 LYS . 19860 1 7 7 TYR . 19860 1 8 8 VAL . 19860 1 9 9 TYR . 19860 1 10 10 ILE . 19860 1 11 11 ASP . 19860 1 12 12 LEU . 19860 1 13 13 ASN . 19860 1 14 14 ASN . 19860 1 15 15 GLY . 19860 1 16 16 LYS . 19860 1 17 17 TYR . 19860 1 18 18 VAL . 19860 1 19 19 LYS . 19860 1 20 20 VAL . 19860 1 21 21 ARG . 19860 1 22 22 ILE . 19860 1 23 23 LEU . 19860 1 24 24 LYS . 19860 1 25 25 SER . 19860 1 26 26 ARG . 19860 1 27 27 ASP . 19860 1 28 28 ASP . 19860 1 29 29 ASN . 19860 1 30 30 SER . 19860 1 31 31 VAL . 19860 1 32 32 GLU . 19860 1 33 33 LYS . 19860 1 34 34 TYR . 19860 1 35 35 VAL . 19860 1 36 36 LEU . 19860 1 37 37 THR . 19860 1 38 38 SER . 19860 1 39 39 HIS . 19860 1 40 40 VAL . 19860 1 41 41 SER . 19860 1 42 42 LYS . 19860 1 43 43 ASN . 19860 1 44 44 ARG . 19860 1 45 45 PRO . 19860 1 46 46 LYS . 19860 1 47 47 ASN . 19860 1 48 48 ALA . 19860 1 49 49 ILE . 19860 1 50 50 VAL . 19860 1 51 51 ILE . 19860 1 52 52 LYS . 19860 1 53 53 MET . 19860 1 54 54 ASP . 19860 1 55 55 ASN . 19860 1 56 56 LEU . 19860 1 57 57 PRO . 19860 1 58 58 ILE . 19860 1 59 59 GLU . 19860 1 60 60 VAL . 19860 1 61 61 LYS . 19860 1 62 62 ASP . 19860 1 63 63 LYS . 19860 1 64 64 LEU . 19860 1 65 65 THR . 19860 1 66 66 ARG . 19860 1 67 67 PHE . 19860 1 68 68 PHE . 19860 1 69 69 LEU . 19860 1 70 70 LEU . 19860 1 71 71 GLU . 19860 1 72 72 HIS . 19860 1 73 73 HIS . 19860 1 74 74 HIS . 19860 1 75 75 HIS . 19860 1 76 76 HIS . 19860 1 77 77 HIS . 19860 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 19860 1 . LEU 2 2 19860 1 . LYS 3 3 19860 1 . HIS 4 4 19860 1 . GLY 5 5 19860 1 . LYS 6 6 19860 1 . TYR 7 7 19860 1 . VAL 8 8 19860 1 . TYR 9 9 19860 1 . ILE 10 10 19860 1 . ASP 11 11 19860 1 . LEU 12 12 19860 1 . ASN 13 13 19860 1 . ASN 14 14 19860 1 . GLY 15 15 19860 1 . LYS 16 16 19860 1 . TYR 17 17 19860 1 . VAL 18 18 19860 1 . LYS 19 19 19860 1 . VAL 20 20 19860 1 . ARG 21 21 19860 1 . ILE 22 22 19860 1 . LEU 23 23 19860 1 . LYS 24 24 19860 1 . SER 25 25 19860 1 . ARG 26 26 19860 1 . ASP 27 27 19860 1 . ASP 28 28 19860 1 . ASN 29 29 19860 1 . SER 30 30 19860 1 . VAL 31 31 19860 1 . GLU 32 32 19860 1 . LYS 33 33 19860 1 . TYR 34 34 19860 1 . VAL 35 35 19860 1 . LEU 36 36 19860 1 . THR 37 37 19860 1 . SER 38 38 19860 1 . HIS 39 39 19860 1 . VAL 40 40 19860 1 . SER 41 41 19860 1 . LYS 42 42 19860 1 . ASN 43 43 19860 1 . ARG 44 44 19860 1 . PRO 45 45 19860 1 . LYS 46 46 19860 1 . ASN 47 47 19860 1 . ALA 48 48 19860 1 . ILE 49 49 19860 1 . VAL 50 50 19860 1 . ILE 51 51 19860 1 . LYS 52 52 19860 1 . MET 53 53 19860 1 . ASP 54 54 19860 1 . ASN 55 55 19860 1 . LEU 56 56 19860 1 . PRO 57 57 19860 1 . ILE 58 58 19860 1 . GLU 59 59 19860 1 . VAL 60 60 19860 1 . LYS 61 61 19860 1 . ASP 62 62 19860 1 . LYS 63 63 19860 1 . LEU 64 64 19860 1 . THR 65 65 19860 1 . ARG 66 66 19860 1 . PHE 67 67 19860 1 . PHE 68 68 19860 1 . LEU 69 69 19860 1 . LEU 70 70 19860 1 . GLU 71 71 19860 1 . HIS 72 72 19860 1 . HIS 73 73 19860 1 . HIS 74 74 19860 1 . HIS 75 75 19860 1 . HIS 76 76 19860 1 . HIS 77 77 19860 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 19860 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $rib_prot . 2287 organism . 'Sulfolobus solfataricus' crenarchaeotes . . Archaea . Sulfolobus solfataricus . . . . . . . . . . . . . . . . . . . . . 19860 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 19860 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $rib_prot . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET30a . . . . . . 19860 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19860 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 rib_prot '[U-13C; U-15N]' . . 1 $rib_prot . . . 0.5 1.0 mM . . . . 19860 1 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 19860 1 3 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 19860 1 4 EDTA 'natural abundance' . . . . . . 2 . . mM . . . . 19860 1 5 DSS 'natural abundance' . . . . . . 0.02 . . % . . . . 19860 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19860 1 7 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 19860 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 19860 _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 'ionic strength' 100 . mM 19860 1 pH 6.0 . pH 19860 1 pressure 1 . atm 19860 1 temperature 298 . K 19860 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 19860 _Software.ID 1 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19860 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19860 1 stop_ save_ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 19860 _Software.ID 2 _Software.Name Felix _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 19860 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19860 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 19860 _Software.ID 3 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 19860 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19860 3 'data analysis' 19860 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19860 _Software.ID 4 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 19860 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19860 4 stop_ save_ save_SANE _Software.Sf_category software _Software.Sf_framecode SANE _Software.Entry_ID 19860 _Software.ID 5 _Software.Name SANE _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Duggan, Legge, Dyson & Wright' . . 19860 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19860 5 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 19860 _Software.ID 6 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 19860 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19860 6 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 19860 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _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 19860 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DMX . 600 . . . 19860 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 19860 _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 . . . . . . . . . . . . . . . . 19860 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19860 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19860 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19860 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19860 1 6 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19860 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19860 1 8 '3D HBHANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19860 1 9 '3D CCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19860 1 10 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19860 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19860 1 12 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19860 1 13 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19860 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 19860 _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 . . . . . . . . . 19860 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19860 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19860 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 19860 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 19860 1 2 '2D 1H-13C HSQC' . . . 19860 1 3 '3D HNCO' . . . 19860 1 4 '3D HNCACB' . . . 19860 1 5 '3D CBCA(CO)NH' . . . 19860 1 6 '3D HN(CA)CO' . . . 19860 1 7 '3D HBHA(CO)NH' . . . 19860 1 8 '3D HBHANH' . . . 19860 1 9 '3D CCH-TOCSY' . . . 19860 1 10 '3D 1H-15N TOCSY' . . . 19860 1 11 '3D 1H-15N NOESY' . . . 19860 1 12 '3D 1H-13C NOESY aliphatic' . . . 19860 1 13 '3D 1H-13C NOESY aromatic' . . . 19860 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 LEU HA H 1 4.4350 0.02 . 1 . . . A 2 LEU HA . 19860 1 2 . 1 1 2 2 LEU HB2 H 1 1.5390 0.02 . 2 . . . A 2 LEU HB2 . 19860 1 3 . 1 1 2 2 LEU HB3 H 1 1.6250 0.02 . 2 . . . A 2 LEU HB3 . 19860 1 4 . 1 1 2 2 LEU HD11 H 1 0.9330 0.02 . 2 . . . A 2 LEU HD11 . 19860 1 5 . 1 1 2 2 LEU HD12 H 1 0.9330 0.02 . 2 . . . A 2 LEU HD12 . 19860 1 6 . 1 1 2 2 LEU HD13 H 1 0.9330 0.02 . 2 . . . A 2 LEU HD13 . 19860 1 7 . 1 1 2 2 LEU HD21 H 1 0.8980 0.02 . 2 . . . A 2 LEU HD21 . 19860 1 8 . 1 1 2 2 LEU HD22 H 1 0.8980 0.02 . 2 . . . A 2 LEU HD22 . 19860 1 9 . 1 1 2 2 LEU HD23 H 1 0.8980 0.02 . 2 . . . A 2 LEU HD23 . 19860 1 10 . 1 1 2 2 LEU C C 13 176.7730 0.3 . 1 . . . A 2 LEU C . 19860 1 11 . 1 1 2 2 LEU CA C 13 55.2990 0.3 . 1 . . . A 2 LEU CA . 19860 1 12 . 1 1 2 2 LEU CB C 13 42.5290 0.3 . 1 . . . A 2 LEU CB . 19860 1 13 . 1 1 2 2 LEU CG C 13 27.0000 0.3 . 1 . . . A 2 LEU CG . 19860 1 14 . 1 1 2 2 LEU CD1 C 13 24.8770 0.3 . 2 . . . A 2 LEU CD1 . 19860 1 15 . 1 1 2 2 LEU CD2 C 13 23.3500 0.3 . 2 . . . A 2 LEU CD2 . 19860 1 16 . 1 1 3 3 LYS H H 1 8.5200 0.02 . 1 . . . A 3 LYS H . 19860 1 17 . 1 1 3 3 LYS HA H 1 4.3250 0.02 . 1 . . . A 3 LYS HA . 19860 1 18 . 1 1 3 3 LYS HB2 H 1 1.7540 0.02 . 2 . . . A 3 LYS HB2 . 19860 1 19 . 1 1 3 3 LYS HB3 H 1 1.7540 0.02 . 2 . . . A 3 LYS HB3 . 19860 1 20 . 1 1 3 3 LYS HG2 H 1 1.4070 0.02 . 2 . . . A 3 LYS HG2 . 19860 1 21 . 1 1 3 3 LYS HG3 H 1 1.4070 0.02 . 2 . . . A 3 LYS HG3 . 19860 1 22 . 1 1 3 3 LYS HD2 H 1 1.8000 0.02 . 2 . . . A 3 LYS HD2 . 19860 1 23 . 1 1 3 3 LYS HD3 H 1 1.8000 0.02 . 2 . . . A 3 LYS HD3 . 19860 1 24 . 1 1 3 3 LYS HE2 H 1 3.0200 0.02 . 2 . . . A 3 LYS HE2 . 19860 1 25 . 1 1 3 3 LYS HE3 H 1 3.0200 0.02 . 2 . . . A 3 LYS HE3 . 19860 1 26 . 1 1 3 3 LYS C C 13 176.2240 0.3 . 1 . . . A 3 LYS C . 19860 1 27 . 1 1 3 3 LYS CA C 13 56.3440 0.3 . 1 . . . A 3 LYS CA . 19860 1 28 . 1 1 3 3 LYS CB C 13 33.3350 0.3 . 1 . . . A 3 LYS CB . 19860 1 29 . 1 1 3 3 LYS CG C 13 24.9500 0.3 . 1 . . . A 3 LYS CG . 19860 1 30 . 1 1 3 3 LYS CD C 13 29.1500 0.3 . 1 . . . A 3 LYS CD . 19860 1 31 . 1 1 3 3 LYS CE C 13 41.9840 0.3 . 1 . . . A 3 LYS CE . 19860 1 32 . 1 1 3 3 LYS N N 15 123.2200 0.2 . 1 . . . A 3 LYS N . 19860 1 33 . 1 1 4 4 HIS H H 1 8.4860 0.02 . 1 . . . A 4 HIS H . 19860 1 34 . 1 1 4 4 HIS HA H 1 4.7210 0.02 . 1 . . . A 4 HIS HA . 19860 1 35 . 1 1 4 4 HIS HB2 H 1 3.1670 0.02 . 2 . . . A 4 HIS HB2 . 19860 1 36 . 1 1 4 4 HIS HB3 H 1 3.2670 0.02 . 2 . . . A 4 HIS HB3 . 19860 1 37 . 1 1 4 4 HIS HD2 H 1 7.2074 0.02 . 1 . . . A 4 HIS HD2 . 19860 1 38 . 1 1 4 4 HIS C C 13 175.3180 0.3 . 1 . . . A 4 HIS C . 19860 1 39 . 1 1 4 4 HIS CA C 13 55.9410 0.3 . 1 . . . A 4 HIS CA . 19860 1 40 . 1 1 4 4 HIS CB C 13 30.6360 0.3 . 1 . . . A 4 HIS CB . 19860 1 41 . 1 1 4 4 HIS N N 15 119.7270 0.2 . 1 . . . A 4 HIS N . 19860 1 42 . 1 1 5 5 GLY H H 1 8.6020 0.02 . 1 . . . A 5 GLY H . 19860 1 43 . 1 1 5 5 GLY HA2 H 1 3.8780 0.02 . 2 . . . A 5 GLY HA2 . 19860 1 44 . 1 1 5 5 GLY HA3 H 1 4.0610 0.02 . 2 . . . A 5 GLY HA3 . 19860 1 45 . 1 1 5 5 GLY C C 13 172.9660 0.3 . 1 . . . A 5 GLY C . 19860 1 46 . 1 1 5 5 GLY CA C 13 45.1460 0.3 . 1 . . . A 5 GLY CA . 19860 1 47 . 1 1 5 5 GLY N N 15 110.3180 0.2 . 1 . . . A 5 GLY N . 19860 1 48 . 1 1 6 6 LYS H H 1 8.2750 0.02 . 1 . . . A 6 LYS H . 19860 1 49 . 1 1 6 6 LYS HA H 1 4.4380 0.02 . 1 . . . A 6 LYS HA . 19860 1 50 . 1 1 6 6 LYS HB2 H 1 1.7530 0.02 . 2 . . . A 6 LYS HB2 . 19860 1 51 . 1 1 6 6 LYS HB3 H 1 1.7530 0.02 . 2 . . . A 6 LYS HB3 . 19860 1 52 . 1 1 6 6 LYS HG2 H 1 1.2660 0.02 . 2 . . . A 6 LYS HG2 . 19860 1 53 . 1 1 6 6 LYS HG3 H 1 1.2660 0.02 . 2 . . . A 6 LYS HG3 . 19860 1 54 . 1 1 6 6 LYS HD2 H 1 1.6640 0.02 . 2 . . . A 6 LYS HD2 . 19860 1 55 . 1 1 6 6 LYS HD3 H 1 1.6640 0.02 . 2 . . . A 6 LYS HD3 . 19860 1 56 . 1 1 6 6 LYS HE2 H 1 2.9490 0.02 . 2 . . . A 6 LYS HE2 . 19860 1 57 . 1 1 6 6 LYS HE3 H 1 2.9490 0.02 . 2 . . . A 6 LYS HE3 . 19860 1 58 . 1 1 6 6 LYS C C 13 175.1680 0.3 . 1 . . . A 6 LYS C . 19860 1 59 . 1 1 6 6 LYS CA C 13 56.1790 0.3 . 1 . . . A 6 LYS CA . 19860 1 60 . 1 1 6 6 LYS CB C 13 34.2770 0.3 . 1 . . . A 6 LYS CB . 19860 1 61 . 1 1 6 6 LYS CG C 13 24.9800 0.3 . 1 . . . A 6 LYS CG . 19860 1 62 . 1 1 6 6 LYS CD C 13 29.1700 0.3 . 1 . . . A 6 LYS CD . 19860 1 63 . 1 1 6 6 LYS CE C 13 42.1700 0.3 . 1 . . . A 6 LYS CE . 19860 1 64 . 1 1 6 6 LYS N N 15 120.8080 0.2 . 1 . . . A 6 LYS N . 19860 1 65 . 1 1 7 7 TYR H H 1 8.3510 0.02 . 1 . . . A 7 TYR H . 19860 1 66 . 1 1 7 7 TYR HA H 1 5.5130 0.02 . 1 . . . A 7 TYR HA . 19860 1 67 . 1 1 7 7 TYR HB2 H 1 2.7329 0.02 . 2 . . . A 7 TYR HB2 . 19860 1 68 . 1 1 7 7 TYR HB3 H 1 2.7954 0.02 . 2 . . . A 7 TYR HB3 . 19860 1 69 . 1 1 7 7 TYR HD1 H 1 7.0240 0.02 . 3 . . . A 7 TYR HD1 . 19860 1 70 . 1 1 7 7 TYR HD2 H 1 7.0240 0.02 . 3 . . . A 7 TYR HD2 . 19860 1 71 . 1 1 7 7 TYR HE1 H 1 6.8310 0.02 . 3 . . . A 7 TYR HE1 . 19860 1 72 . 1 1 7 7 TYR HE2 H 1 6.8310 0.02 . 3 . . . A 7 TYR HE2 . 19860 1 73 . 1 1 7 7 TYR C C 13 176.0040 0.3 . 1 . . . A 7 TYR C . 19860 1 74 . 1 1 7 7 TYR CA C 13 56.9710 0.3 . 1 . . . A 7 TYR CA . 19860 1 75 . 1 1 7 7 TYR CB C 13 41.0320 0.3 . 1 . . . A 7 TYR CB . 19860 1 76 . 1 1 7 7 TYR CD1 C 13 133.4680 0.3 . 3 . . . A 7 TYR CD1 . 19860 1 77 . 1 1 7 7 TYR CD2 C 13 133.4680 0.3 . 3 . . . A 7 TYR CD2 . 19860 1 78 . 1 1 7 7 TYR CE1 C 13 118.0510 0.3 . 3 . . . A 7 TYR CE1 . 19860 1 79 . 1 1 7 7 TYR CE2 C 13 118.0510 0.3 . 3 . . . A 7 TYR CE2 . 19860 1 80 . 1 1 7 7 TYR N N 15 118.6660 0.2 . 1 . . . A 7 TYR N . 19860 1 81 . 1 1 8 8 VAL H H 1 9.0570 0.02 . 1 . . . A 8 VAL H . 19860 1 82 . 1 1 8 8 VAL HA H 1 4.8600 0.02 . 1 . . . A 8 VAL HA . 19860 1 83 . 1 1 8 8 VAL HB H 1 2.1930 0.02 . 1 . . . A 8 VAL HB . 19860 1 84 . 1 1 8 8 VAL HG11 H 1 0.9470 0.02 . 2 . . . A 8 VAL HG11 . 19860 1 85 . 1 1 8 8 VAL HG12 H 1 0.9470 0.02 . 2 . . . A 8 VAL HG12 . 19860 1 86 . 1 1 8 8 VAL HG13 H 1 0.9470 0.02 . 2 . . . A 8 VAL HG13 . 19860 1 87 . 1 1 8 8 VAL HG21 H 1 0.7740 0.02 . 2 . . . A 8 VAL HG21 . 19860 1 88 . 1 1 8 8 VAL HG22 H 1 0.7740 0.02 . 2 . . . A 8 VAL HG22 . 19860 1 89 . 1 1 8 8 VAL HG23 H 1 0.7740 0.02 . 2 . . . A 8 VAL HG23 . 19860 1 90 . 1 1 8 8 VAL C C 13 173.2200 0.3 . 1 . . . A 8 VAL C . 19860 1 91 . 1 1 8 8 VAL CA C 13 59.6940 0.3 . 1 . . . A 8 VAL CA . 19860 1 92 . 1 1 8 8 VAL CB C 13 35.2460 0.3 . 1 . . . A 8 VAL CB . 19860 1 93 . 1 1 8 8 VAL CG1 C 13 21.9000 0.3 . 2 . . . A 8 VAL CG1 . 19860 1 94 . 1 1 8 8 VAL CG2 C 13 19.2830 0.3 . 2 . . . A 8 VAL CG2 . 19860 1 95 . 1 1 8 8 VAL N N 15 115.9200 0.2 . 1 . . . A 8 VAL N . 19860 1 96 . 1 1 9 9 TYR H H 1 9.1170 0.02 . 1 . . . A 9 TYR H . 19860 1 97 . 1 1 9 9 TYR HA H 1 5.5150 0.02 . 1 . . . A 9 TYR HA . 19860 1 98 . 1 1 9 9 TYR HB2 H 1 2.6100 0.02 . 2 . . . A 9 TYR HB2 . 19860 1 99 . 1 1 9 9 TYR HB3 H 1 2.8950 0.02 . 2 . . . A 9 TYR HB3 . 19860 1 100 . 1 1 9 9 TYR HD1 H 1 6.9190 0.02 . 3 . . . A 9 TYR HD1 . 19860 1 101 . 1 1 9 9 TYR HD2 H 1 6.9190 0.02 . 3 . . . A 9 TYR HD2 . 19860 1 102 . 1 1 9 9 TYR HE1 H 1 6.7360 0.02 . 3 . . . A 9 TYR HE1 . 19860 1 103 . 1 1 9 9 TYR HE2 H 1 6.7360 0.02 . 3 . . . A 9 TYR HE2 . 19860 1 104 . 1 1 9 9 TYR C C 13 175.0720 0.3 . 1 . . . A 9 TYR C . 19860 1 105 . 1 1 9 9 TYR CA C 13 56.5760 0.3 . 1 . . . A 9 TYR CA . 19860 1 106 . 1 1 9 9 TYR CB C 13 41.5320 0.3 . 1 . . . A 9 TYR CB . 19860 1 107 . 1 1 9 9 TYR CD1 C 13 132.7970 0.3 . 3 . . . A 9 TYR CD1 . 19860 1 108 . 1 1 9 9 TYR CD2 C 13 132.7970 0.3 . 3 . . . A 9 TYR CD2 . 19860 1 109 . 1 1 9 9 TYR CE1 C 13 117.9100 0.3 . 3 . . . A 9 TYR CE1 . 19860 1 110 . 1 1 9 9 TYR CE2 C 13 117.9100 0.3 . 3 . . . A 9 TYR CE2 . 19860 1 111 . 1 1 9 9 TYR N N 15 118.7860 0.2 . 1 . . . A 9 TYR N . 19860 1 112 . 1 1 10 10 ILE H H 1 9.5140 0.02 . 1 . . . A 10 ILE H . 19860 1 113 . 1 1 10 10 ILE HA H 1 4.8870 0.02 . 1 . . . A 10 ILE HA . 19860 1 114 . 1 1 10 10 ILE HB H 1 1.8400 0.02 . 1 . . . A 10 ILE HB . 19860 1 115 . 1 1 10 10 ILE HG12 H 1 1.4460 0.02 . 2 . . . A 10 ILE HG12 . 19860 1 116 . 1 1 10 10 ILE HG13 H 1 1.1980 0.02 . 2 . . . A 10 ILE HG13 . 19860 1 117 . 1 1 10 10 ILE HG21 H 1 0.7220 0.02 . 1 . . . A 10 ILE HG21 . 19860 1 118 . 1 1 10 10 ILE HG22 H 1 0.7220 0.02 . 1 . . . A 10 ILE HG22 . 19860 1 119 . 1 1 10 10 ILE HG23 H 1 0.7220 0.02 . 1 . . . A 10 ILE HG23 . 19860 1 120 . 1 1 10 10 ILE HD11 H 1 0.6960 0.02 . 1 . . . A 10 ILE HD11 . 19860 1 121 . 1 1 10 10 ILE HD12 H 1 0.6960 0.02 . 1 . . . A 10 ILE HD12 . 19860 1 122 . 1 1 10 10 ILE HD13 H 1 0.6960 0.02 . 1 . . . A 10 ILE HD13 . 19860 1 123 . 1 1 10 10 ILE C C 13 176.0440 0.3 . 1 . . . A 10 ILE C . 19860 1 124 . 1 1 10 10 ILE CA C 13 58.9480 0.3 . 1 . . . A 10 ILE CA . 19860 1 125 . 1 1 10 10 ILE CB C 13 38.5370 0.3 . 1 . . . A 10 ILE CB . 19860 1 126 . 1 1 10 10 ILE CG1 C 13 27.6220 0.3 . 1 . . . A 10 ILE CG1 . 19860 1 127 . 1 1 10 10 ILE CG2 C 13 17.9570 0.3 . 1 . . . A 10 ILE CG2 . 19860 1 128 . 1 1 10 10 ILE CD1 C 13 13.5080 0.3 . 1 . . . A 10 ILE CD1 . 19860 1 129 . 1 1 10 10 ILE N N 15 121.3760 0.2 . 1 . . . A 10 ILE N . 19860 1 130 . 1 1 11 11 ASP H H 1 8.6760 0.02 . 1 . . . A 11 ASP H . 19860 1 131 . 1 1 11 11 ASP HA H 1 4.3900 0.02 . 1 . . . A 11 ASP HA . 19860 1 132 . 1 1 11 11 ASP HB2 H 1 2.5130 0.02 . 2 . . . A 11 ASP HB2 . 19860 1 133 . 1 1 11 11 ASP HB3 H 1 3.0340 0.02 . 2 . . . A 11 ASP HB3 . 19860 1 134 . 1 1 11 11 ASP C C 13 175.8500 0.3 . 1 . . . A 11 ASP C . 19860 1 135 . 1 1 11 11 ASP CA C 13 53.3770 0.3 . 1 . . . A 11 ASP CA . 19860 1 136 . 1 1 11 11 ASP CB C 13 41.8080 0.3 . 1 . . . A 11 ASP CB . 19860 1 137 . 1 1 11 11 ASP N N 15 126.5010 0.2 . 1 . . . A 11 ASP N . 19860 1 138 . 1 1 12 12 LEU H H 1 7.6920 0.02 . 1 . . . A 12 LEU H . 19860 1 139 . 1 1 12 12 LEU HA H 1 4.3190 0.02 . 1 . . . A 12 LEU HA . 19860 1 140 . 1 1 12 12 LEU HB2 H 1 1.5260 0.02 . 2 . . . A 12 LEU HB2 . 19860 1 141 . 1 1 12 12 LEU HB3 H 1 1.8710 0.02 . 2 . . . A 12 LEU HB3 . 19860 1 142 . 1 1 12 12 LEU HG H 1 1.5340 0.02 . 1 . . . A 12 LEU HG . 19860 1 143 . 1 1 12 12 LEU HD11 H 1 0.5080 0.02 . 2 . . . A 12 LEU HD11 . 19860 1 144 . 1 1 12 12 LEU HD12 H 1 0.5080 0.02 . 2 . . . A 12 LEU HD12 . 19860 1 145 . 1 1 12 12 LEU HD13 H 1 0.5080 0.02 . 2 . . . A 12 LEU HD13 . 19860 1 146 . 1 1 12 12 LEU HD21 H 1 0.7320 0.02 . 2 . . . A 12 LEU HD21 . 19860 1 147 . 1 1 12 12 LEU HD22 H 1 0.7320 0.02 . 2 . . . A 12 LEU HD22 . 19860 1 148 . 1 1 12 12 LEU HD23 H 1 0.7320 0.02 . 2 . . . A 12 LEU HD23 . 19860 1 149 . 1 1 12 12 LEU C C 13 176.1320 0.3 . 1 . . . A 12 LEU C . 19860 1 150 . 1 1 12 12 LEU CA C 13 55.4390 0.3 . 1 . . . A 12 LEU CA . 19860 1 151 . 1 1 12 12 LEU CB C 13 40.3120 0.3 . 1 . . . A 12 LEU CB . 19860 1 152 . 1 1 12 12 LEU CG C 13 26.5000 0.3 . 1 . . . A 12 LEU CG . 19860 1 153 . 1 1 12 12 LEU CD1 C 13 25.4930 0.3 . 2 . . . A 12 LEU CD1 . 19860 1 154 . 1 1 12 12 LEU CD2 C 13 23.3410 0.3 . 2 . . . A 12 LEU CD2 . 19860 1 155 . 1 1 12 12 LEU N N 15 127.5050 0.2 . 1 . . . A 12 LEU N . 19860 1 156 . 1 1 13 13 ASN H H 1 9.1870 0.02 . 1 . . . A 13 ASN H . 19860 1 157 . 1 1 13 13 ASN HA H 1 4.3910 0.02 . 1 . . . A 13 ASN HA . 19860 1 158 . 1 1 13 13 ASN HB2 H 1 2.7840 0.02 . 2 . . . A 13 ASN HB2 . 19860 1 159 . 1 1 13 13 ASN HB3 H 1 3.1990 0.02 . 2 . . . A 13 ASN HB3 . 19860 1 160 . 1 1 13 13 ASN HD21 H 1 7.5780 0.02 . 2 . . . A 13 ASN HD21 . 19860 1 161 . 1 1 13 13 ASN HD22 H 1 7.0020 0.02 . 2 . . . A 13 ASN HD22 . 19860 1 162 . 1 1 13 13 ASN C C 13 174.4400 0.3 . 1 . . . A 13 ASN C . 19860 1 163 . 1 1 13 13 ASN CA C 13 54.4820 0.3 . 1 . . . A 13 ASN CA . 19860 1 164 . 1 1 13 13 ASN CB C 13 37.8610 0.3 . 1 . . . A 13 ASN CB . 19860 1 165 . 1 1 13 13 ASN N N 15 114.3510 0.2 . 1 . . . A 13 ASN N . 19860 1 166 . 1 1 13 13 ASN ND2 N 15 112.6140 0.2 . 1 . . . A 13 ASN ND2 . 19860 1 167 . 1 1 14 14 ASN H H 1 7.7370 0.02 . 1 . . . A 14 ASN H . 19860 1 168 . 1 1 14 14 ASN HA H 1 4.7790 0.02 . 1 . . . A 14 ASN HA . 19860 1 169 . 1 1 14 14 ASN HB2 H 1 2.5790 0.02 . 2 . . . A 14 ASN HB2 . 19860 1 170 . 1 1 14 14 ASN HB3 H 1 3.1770 0.02 . 2 . . . A 14 ASN HB3 . 19860 1 171 . 1 1 14 14 ASN HD21 H 1 5.8640 0.02 . 2 . . . A 14 ASN HD21 . 19860 1 172 . 1 1 14 14 ASN HD22 H 1 7.4670 0.02 . 2 . . . A 14 ASN HD22 . 19860 1 173 . 1 1 14 14 ASN C C 13 176.2130 0.3 . 1 . . . A 14 ASN C . 19860 1 174 . 1 1 14 14 ASN CA C 13 52.1490 0.3 . 1 . . . A 14 ASN CA . 19860 1 175 . 1 1 14 14 ASN CB C 13 38.7270 0.3 . 1 . . . A 14 ASN CB . 19860 1 176 . 1 1 14 14 ASN N N 15 115.0570 0.2 . 1 . . . A 14 ASN N . 19860 1 177 . 1 1 14 14 ASN ND2 N 15 106.2960 0.2 . 1 . . . A 14 ASN ND2 . 19860 1 178 . 1 1 15 15 GLY H H 1 8.7440 0.02 . 1 . . . A 15 GLY H . 19860 1 179 . 1 1 15 15 GLY HA2 H 1 3.6040 0.02 . 2 . . . A 15 GLY HA2 . 19860 1 180 . 1 1 15 15 GLY HA3 H 1 4.3360 0.02 . 2 . . . A 15 GLY HA3 . 19860 1 181 . 1 1 15 15 GLY C C 13 172.9680 0.3 . 1 . . . A 15 GLY C . 19860 1 182 . 1 1 15 15 GLY CA C 13 45.1360 0.3 . 1 . . . A 15 GLY CA . 19860 1 183 . 1 1 15 15 GLY N N 15 110.4530 0.2 . 1 . . . A 15 GLY N . 19860 1 184 . 1 1 16 16 LYS H H 1 7.5590 0.02 . 1 . . . A 16 LYS H . 19860 1 185 . 1 1 16 16 LYS HA H 1 4.9920 0.02 . 1 . . . A 16 LYS HA . 19860 1 186 . 1 1 16 16 LYS HB2 H 1 1.4940 0.02 . 2 . . . A 16 LYS HB2 . 19860 1 187 . 1 1 16 16 LYS HB3 H 1 1.8690 0.02 . 2 . . . A 16 LYS HB3 . 19860 1 188 . 1 1 16 16 LYS HG2 H 1 1.1780 0.02 . 2 . . . A 16 LYS HG2 . 19860 1 189 . 1 1 16 16 LYS HG3 H 1 1.2500 0.02 . 2 . . . A 16 LYS HG3 . 19860 1 190 . 1 1 16 16 LYS HD2 H 1 1.5910 0.02 . 2 . . . A 16 LYS HD2 . 19860 1 191 . 1 1 16 16 LYS HD3 H 1 1.4750 0.02 . 2 . . . A 16 LYS HD3 . 19860 1 192 . 1 1 16 16 LYS HE2 H 1 2.9100 0.02 . 2 . . . A 16 LYS HE2 . 19860 1 193 . 1 1 16 16 LYS HE3 H 1 2.9100 0.02 . 2 . . . A 16 LYS HE3 . 19860 1 194 . 1 1 16 16 LYS C C 13 175.2140 0.3 . 1 . . . A 16 LYS C . 19860 1 195 . 1 1 16 16 LYS CA C 13 54.6530 0.3 . 1 . . . A 16 LYS CA . 19860 1 196 . 1 1 16 16 LYS CB C 13 35.3590 0.3 . 1 . . . A 16 LYS CB . 19860 1 197 . 1 1 16 16 LYS CG C 13 25.8100 0.3 . 1 . . . A 16 LYS CG . 19860 1 198 . 1 1 16 16 LYS CD C 13 29.4800 0.3 . 1 . . . A 16 LYS CD . 19860 1 199 . 1 1 16 16 LYS CE C 13 42.4800 0.3 . 1 . . . A 16 LYS CE . 19860 1 200 . 1 1 16 16 LYS N N 15 116.5570 0.2 . 1 . . . A 16 LYS N . 19860 1 201 . 1 1 17 17 TYR H H 1 8.5770 0.02 . 1 . . . A 17 TYR H . 19860 1 202 . 1 1 17 17 TYR HA H 1 5.5510 0.02 . 1 . . . A 17 TYR HA . 19860 1 203 . 1 1 17 17 TYR HB2 H 1 2.7800 0.02 . 2 . . . A 17 TYR HB2 . 19860 1 204 . 1 1 17 17 TYR HB3 H 1 2.7800 0.02 . 2 . . . A 17 TYR HB3 . 19860 1 205 . 1 1 17 17 TYR HD1 H 1 6.7710 0.02 . 3 . . . A 17 TYR HD1 . 19860 1 206 . 1 1 17 17 TYR HD2 H 1 6.7710 0.02 . 3 . . . A 17 TYR HD2 . 19860 1 207 . 1 1 17 17 TYR HE1 H 1 6.5940 0.02 . 3 . . . A 17 TYR HE1 . 19860 1 208 . 1 1 17 17 TYR HE2 H 1 6.5940 0.02 . 3 . . . A 17 TYR HE2 . 19860 1 209 . 1 1 17 17 TYR C C 13 175.4910 0.3 . 1 . . . A 17 TYR C . 19860 1 210 . 1 1 17 17 TYR CA C 13 56.2550 0.3 . 1 . . . A 17 TYR CA . 19860 1 211 . 1 1 17 17 TYR CB C 13 42.2700 0.3 . 1 . . . A 17 TYR CB . 19860 1 212 . 1 1 17 17 TYR CD1 C 13 133.1130 0.3 . 3 . . . A 17 TYR CD1 . 19860 1 213 . 1 1 17 17 TYR CD2 C 13 133.1130 0.3 . 3 . . . A 17 TYR CD2 . 19860 1 214 . 1 1 17 17 TYR CE1 C 13 117.5130 0.3 . 3 . . . A 17 TYR CE1 . 19860 1 215 . 1 1 17 17 TYR CE2 C 13 117.5130 0.3 . 3 . . . A 17 TYR CE2 . 19860 1 216 . 1 1 17 17 TYR N N 15 117.0200 0.2 . 1 . . . A 17 TYR N . 19860 1 217 . 1 1 18 18 VAL H H 1 8.8290 0.02 . 1 . . . A 18 VAL H . 19860 1 218 . 1 1 18 18 VAL HA H 1 5.0270 0.02 . 1 . . . A 18 VAL HA . 19860 1 219 . 1 1 18 18 VAL HB H 1 1.7130 0.02 . 1 . . . A 18 VAL HB . 19860 1 220 . 1 1 18 18 VAL HG11 H 1 0.7870 0.02 . 2 . . . A 18 VAL HG11 . 19860 1 221 . 1 1 18 18 VAL HG12 H 1 0.7870 0.02 . 2 . . . A 18 VAL HG12 . 19860 1 222 . 1 1 18 18 VAL HG13 H 1 0.7870 0.02 . 2 . . . A 18 VAL HG13 . 19860 1 223 . 1 1 18 18 VAL HG21 H 1 0.8330 0.02 . 2 . . . A 18 VAL HG21 . 19860 1 224 . 1 1 18 18 VAL HG22 H 1 0.8330 0.02 . 2 . . . A 18 VAL HG22 . 19860 1 225 . 1 1 18 18 VAL HG23 H 1 0.8330 0.02 . 2 . . . A 18 VAL HG23 . 19860 1 226 . 1 1 18 18 VAL C C 13 174.0460 0.3 . 1 . . . A 18 VAL C . 19860 1 227 . 1 1 18 18 VAL CA C 13 59.7110 0.3 . 1 . . . A 18 VAL CA . 19860 1 228 . 1 1 18 18 VAL CB C 13 35.0760 0.3 . 1 . . . A 18 VAL CB . 19860 1 229 . 1 1 18 18 VAL CG1 C 13 22.0800 0.3 . 2 . . . A 18 VAL CG1 . 19860 1 230 . 1 1 18 18 VAL CG2 C 13 20.6200 0.3 . 2 . . . A 18 VAL CG2 . 19860 1 231 . 1 1 18 18 VAL N N 15 121.0320 0.2 . 1 . . . A 18 VAL N . 19860 1 232 . 1 1 19 19 LYS H H 1 8.3880 0.02 . 1 . . . A 19 LYS H . 19860 1 233 . 1 1 19 19 LYS HA H 1 4.0550 0.02 . 1 . . . A 19 LYS HA . 19860 1 234 . 1 1 19 19 LYS HB2 H 1 1.3550 0.02 . 2 . . . A 19 LYS HB2 . 19860 1 235 . 1 1 19 19 LYS HB3 H 1 1.9060 0.02 . 2 . . . A 19 LYS HB3 . 19860 1 236 . 1 1 19 19 LYS HG2 H 1 0.5900 0.02 . 2 . . . A 19 LYS HG2 . 19860 1 237 . 1 1 19 19 LYS HG3 H 1 0.5900 0.02 . 2 . . . A 19 LYS HG3 . 19860 1 238 . 1 1 19 19 LYS HD2 H 1 1.2010 0.02 . 2 . . . A 19 LYS HD2 . 19860 1 239 . 1 1 19 19 LYS HD3 H 1 1.2010 0.02 . 2 . . . A 19 LYS HD3 . 19860 1 240 . 1 1 19 19 LYS HE2 H 1 2.0410 0.02 . 2 . . . A 19 LYS HE2 . 19860 1 241 . 1 1 19 19 LYS HE3 H 1 2.1630 0.02 . 2 . . . A 19 LYS HE3 . 19860 1 242 . 1 1 19 19 LYS C C 13 175.6280 0.3 . 1 . . . A 19 LYS C . 19860 1 243 . 1 1 19 19 LYS CA C 13 56.9750 0.3 . 1 . . . A 19 LYS CA . 19860 1 244 . 1 1 19 19 LYS CB C 13 33.3800 0.3 . 1 . . . A 19 LYS CB . 19860 1 245 . 1 1 19 19 LYS CG C 13 25.1660 0.3 . 1 . . . A 19 LYS CG . 19860 1 246 . 1 1 19 19 LYS CD C 13 29.7750 0.3 . 1 . . . A 19 LYS CD . 19860 1 247 . 1 1 19 19 LYS CE C 13 41.1220 0.3 . 1 . . . A 19 LYS CE . 19860 1 248 . 1 1 19 19 LYS N N 15 130.2510 0.2 . 1 . . . A 19 LYS N . 19860 1 249 . 1 1 20 20 VAL H H 1 9.4280 0.02 . 1 . . . A 20 VAL H . 19860 1 250 . 1 1 20 20 VAL HA H 1 4.9460 0.02 . 1 . . . A 20 VAL HA . 19860 1 251 . 1 1 20 20 VAL HB H 1 2.0090 0.02 . 1 . . . A 20 VAL HB . 19860 1 252 . 1 1 20 20 VAL HG11 H 1 0.9420 0.02 . 2 . . . A 20 VAL HG11 . 19860 1 253 . 1 1 20 20 VAL HG12 H 1 0.9420 0.02 . 2 . . . A 20 VAL HG12 . 19860 1 254 . 1 1 20 20 VAL HG13 H 1 0.9420 0.02 . 2 . . . A 20 VAL HG13 . 19860 1 255 . 1 1 20 20 VAL HG21 H 1 0.9420 0.02 . 2 . . . A 20 VAL HG21 . 19860 1 256 . 1 1 20 20 VAL HG22 H 1 0.9420 0.02 . 2 . . . A 20 VAL HG22 . 19860 1 257 . 1 1 20 20 VAL HG23 H 1 0.9420 0.02 . 2 . . . A 20 VAL HG23 . 19860 1 258 . 1 1 20 20 VAL C C 13 173.5810 0.3 . 1 . . . A 20 VAL C . 19860 1 259 . 1 1 20 20 VAL CA C 13 60.4830 0.3 . 1 . . . A 20 VAL CA . 19860 1 260 . 1 1 20 20 VAL CB C 13 35.6650 0.3 . 1 . . . A 20 VAL CB . 19860 1 261 . 1 1 20 20 VAL CG1 C 13 22.4760 0.3 . 2 . . . A 20 VAL CG1 . 19860 1 262 . 1 1 20 20 VAL CG2 C 13 22.4760 0.3 . 2 . . . A 20 VAL CG2 . 19860 1 263 . 1 1 20 20 VAL N N 15 127.5300 0.2 . 1 . . . A 20 VAL N . 19860 1 264 . 1 1 21 21 ARG H H 1 9.0840 0.02 . 1 . . . A 21 ARG H . 19860 1 265 . 1 1 21 21 ARG HA H 1 4.7160 0.02 . 1 . . . A 21 ARG HA . 19860 1 266 . 1 1 21 21 ARG HB2 H 1 1.5900 0.02 . 2 . . . A 21 ARG HB2 . 19860 1 267 . 1 1 21 21 ARG HB3 H 1 1.8120 0.02 . 2 . . . A 21 ARG HB3 . 19860 1 268 . 1 1 21 21 ARG HG2 H 1 1.1620 0.02 . 2 . . . A 21 ARG HG2 . 19860 1 269 . 1 1 21 21 ARG HG3 H 1 1.3200 0.02 . 2 . . . A 21 ARG HG3 . 19860 1 270 . 1 1 21 21 ARG HD2 H 1 2.9520 0.02 . 2 . . . A 21 ARG HD2 . 19860 1 271 . 1 1 21 21 ARG HD3 H 1 3.0270 0.02 . 2 . . . A 21 ARG HD3 . 19860 1 272 . 1 1 21 21 ARG HE H 1 7.2240 0.02 . 1 . . . A 21 ARG HE . 19860 1 273 . 1 1 21 21 ARG C C 13 174.9050 0.3 . 1 . . . A 21 ARG C . 19860 1 274 . 1 1 21 21 ARG CA C 13 54.8640 0.3 . 1 . . . A 21 ARG CA . 19860 1 275 . 1 1 21 21 ARG CB C 13 32.8810 0.3 . 1 . . . A 21 ARG CB . 19860 1 276 . 1 1 21 21 ARG CG C 13 27.8100 0.3 . 1 . . . A 21 ARG CG . 19860 1 277 . 1 1 21 21 ARG CD C 13 43.5260 0.3 . 1 . . . A 21 ARG CD . 19860 1 278 . 1 1 21 21 ARG N N 15 125.8040 0.2 . 1 . . . A 21 ARG N . 19860 1 279 . 1 1 21 21 ARG NE N 15 84.0400 0.2 . 1 . . . A 21 ARG NE . 19860 1 280 . 1 1 22 22 ILE H H 1 8.5540 0.02 . 1 . . . A 22 ILE H . 19860 1 281 . 1 1 22 22 ILE HA H 1 4.6240 0.02 . 1 . . . A 22 ILE HA . 19860 1 282 . 1 1 22 22 ILE HB H 1 1.5820 0.02 . 1 . . . A 22 ILE HB . 19860 1 283 . 1 1 22 22 ILE HG12 H 1 0.7630 0.02 . 2 . . . A 22 ILE HG12 . 19860 1 284 . 1 1 22 22 ILE HG13 H 1 1.3210 0.02 . 2 . . . A 22 ILE HG13 . 19860 1 285 . 1 1 22 22 ILE HG21 H 1 0.5810 0.02 . 1 . . . A 22 ILE HG21 . 19860 1 286 . 1 1 22 22 ILE HG22 H 1 0.5810 0.02 . 1 . . . A 22 ILE HG22 . 19860 1 287 . 1 1 22 22 ILE HG23 H 1 0.5810 0.02 . 1 . . . A 22 ILE HG23 . 19860 1 288 . 1 1 22 22 ILE HD11 H 1 0.6410 0.02 . 1 . . . A 22 ILE HD11 . 19860 1 289 . 1 1 22 22 ILE HD12 H 1 0.6410 0.02 . 1 . . . A 22 ILE HD12 . 19860 1 290 . 1 1 22 22 ILE HD13 H 1 0.6410 0.02 . 1 . . . A 22 ILE HD13 . 19860 1 291 . 1 1 22 22 ILE C C 13 175.8870 0.3 . 1 . . . A 22 ILE C . 19860 1 292 . 1 1 22 22 ILE CA C 13 59.7170 0.3 . 1 . . . A 22 ILE CA . 19860 1 293 . 1 1 22 22 ILE CB C 13 38.6990 0.3 . 1 . . . A 22 ILE CB . 19860 1 294 . 1 1 22 22 ILE CG1 C 13 27.1820 0.3 . 1 . . . A 22 ILE CG1 . 19860 1 295 . 1 1 22 22 ILE CG2 C 13 17.7490 0.3 . 1 . . . A 22 ILE CG2 . 19860 1 296 . 1 1 22 22 ILE CD1 C 13 13.4910 0.3 . 1 . . . A 22 ILE CD1 . 19860 1 297 . 1 1 22 22 ILE N N 15 124.1670 0.2 . 1 . . . A 22 ILE N . 19860 1 298 . 1 1 23 23 LEU H H 1 8.8350 0.02 . 1 . . . A 23 LEU H . 19860 1 299 . 1 1 23 23 LEU HA H 1 4.6630 0.02 . 1 . . . A 23 LEU HA . 19860 1 300 . 1 1 23 23 LEU HB2 H 1 1.5410 0.02 . 2 . . . A 23 LEU HB2 . 19860 1 301 . 1 1 23 23 LEU HB3 H 1 1.5410 0.02 . 2 . . . A 23 LEU HB3 . 19860 1 302 . 1 1 23 23 LEU HG H 1 1.4880 0.02 . 1 . . . A 23 LEU HG . 19860 1 303 . 1 1 23 23 LEU HD11 H 1 0.8300 0.02 . 2 . . . A 23 LEU HD11 . 19860 1 304 . 1 1 23 23 LEU HD12 H 1 0.8300 0.02 . 2 . . . A 23 LEU HD12 . 19860 1 305 . 1 1 23 23 LEU HD13 H 1 0.8300 0.02 . 2 . . . A 23 LEU HD13 . 19860 1 306 . 1 1 23 23 LEU HD21 H 1 0.7920 0.02 . 2 . . . A 23 LEU HD21 . 19860 1 307 . 1 1 23 23 LEU HD22 H 1 0.7920 0.02 . 2 . . . A 23 LEU HD22 . 19860 1 308 . 1 1 23 23 LEU HD23 H 1 0.7920 0.02 . 2 . . . A 23 LEU HD23 . 19860 1 309 . 1 1 23 23 LEU C C 13 176.1740 0.3 . 1 . . . A 23 LEU C . 19860 1 310 . 1 1 23 23 LEU CA C 13 53.8970 0.3 . 1 . . . A 23 LEU CA . 19860 1 311 . 1 1 23 23 LEU CB C 13 43.5560 0.3 . 1 . . . A 23 LEU CB . 19860 1 312 . 1 1 23 23 LEU CG C 13 27.3200 0.3 . 1 . . . A 23 LEU CG . 19860 1 313 . 1 1 23 23 LEU CD1 C 13 25.2010 0.3 . 2 . . . A 23 LEU CD1 . 19860 1 314 . 1 1 23 23 LEU CD2 C 13 24.1450 0.3 . 2 . . . A 23 LEU CD2 . 19860 1 315 . 1 1 23 23 LEU N N 15 128.9810 0.2 . 1 . . . A 23 LEU N . 19860 1 316 . 1 1 24 24 LYS H H 1 8.5660 0.02 . 1 . . . A 24 LYS H . 19860 1 317 . 1 1 24 24 LYS HA H 1 4.5680 0.02 . 1 . . . A 24 LYS HA . 19860 1 318 . 1 1 24 24 LYS HB2 H 1 1.7500 0.02 . 2 . . . A 24 LYS HB2 . 19860 1 319 . 1 1 24 24 LYS HB3 H 1 1.8150 0.02 . 2 . . . A 24 LYS HB3 . 19860 1 320 . 1 1 24 24 LYS HG2 H 1 1.4350 0.02 . 2 . . . A 24 LYS HG2 . 19860 1 321 . 1 1 24 24 LYS HG3 H 1 1.4350 0.02 . 2 . . . A 24 LYS HG3 . 19860 1 322 . 1 1 24 24 LYS HD2 H 1 1.6650 0.02 . 2 . . . A 24 LYS HD2 . 19860 1 323 . 1 1 24 24 LYS HD3 H 1 1.6650 0.02 . 2 . . . A 24 LYS HD3 . 19860 1 324 . 1 1 24 24 LYS HE2 H 1 2.9510 0.02 . 2 . . . A 24 LYS HE2 . 19860 1 325 . 1 1 24 24 LYS HE3 H 1 2.9510 0.02 . 2 . . . A 24 LYS HE3 . 19860 1 326 . 1 1 24 24 LYS C C 13 176.4070 0.3 . 1 . . . A 24 LYS C . 19860 1 327 . 1 1 24 24 LYS CA C 13 55.8080 0.3 . 1 . . . A 24 LYS CA . 19860 1 328 . 1 1 24 24 LYS CB C 13 34.0820 0.3 . 1 . . . A 24 LYS CB . 19860 1 329 . 1 1 24 24 LYS CG C 13 24.7560 0.3 . 1 . . . A 24 LYS CG . 19860 1 330 . 1 1 24 24 LYS CD C 13 29.1400 0.3 . 1 . . . A 24 LYS CD . 19860 1 331 . 1 1 24 24 LYS CE C 13 42.0700 0.3 . 1 . . . A 24 LYS CE . 19860 1 332 . 1 1 24 24 LYS N N 15 122.7970 0.2 . 1 . . . A 24 LYS N . 19860 1 333 . 1 1 25 25 SER H H 1 8.6680 0.02 . 1 . . . A 25 SER H . 19860 1 334 . 1 1 25 25 SER HA H 1 4.4770 0.02 . 1 . . . A 25 SER HA . 19860 1 335 . 1 1 25 25 SER HB2 H 1 3.9530 0.02 . 2 . . . A 25 SER HB2 . 19860 1 336 . 1 1 25 25 SER HB3 H 1 3.9530 0.02 . 2 . . . A 25 SER HB3 . 19860 1 337 . 1 1 25 25 SER C C 13 175.0380 0.3 . 1 . . . A 25 SER C . 19860 1 338 . 1 1 25 25 SER CA C 13 58.1460 0.3 . 1 . . . A 25 SER CA . 19860 1 339 . 1 1 25 25 SER CB C 13 63.9770 0.3 . 1 . . . A 25 SER CB . 19860 1 340 . 1 1 25 25 SER N N 15 118.4530 0.2 . 1 . . . A 25 SER N . 19860 1 341 . 1 1 26 26 ARG H H 1 8.6670 0.02 . 1 . . . A 26 ARG H . 19860 1 342 . 1 1 26 26 ARG HA H 1 4.2840 0.02 . 1 . . . A 26 ARG HA . 19860 1 343 . 1 1 26 26 ARG HB2 H 1 1.9050 0.02 . 2 . . . A 26 ARG HB2 . 19860 1 344 . 1 1 26 26 ARG HB3 H 1 1.9050 0.02 . 2 . . . A 26 ARG HB3 . 19860 1 345 . 1 1 26 26 ARG HG2 H 1 1.6890 0.02 . 2 . . . A 26 ARG HG2 . 19860 1 346 . 1 1 26 26 ARG HG3 H 1 1.6890 0.02 . 2 . . . A 26 ARG HG3 . 19860 1 347 . 1 1 26 26 ARG HD2 H 1 3.2340 0.02 . 2 . . . A 26 ARG HD2 . 19860 1 348 . 1 1 26 26 ARG HD3 H 1 3.2340 0.02 . 2 . . . A 26 ARG HD3 . 19860 1 349 . 1 1 26 26 ARG HE H 1 7.3630 0.02 . 1 . . . A 26 ARG HE . 19860 1 350 . 1 1 26 26 ARG C C 13 176.6400 0.3 . 1 . . . A 26 ARG C . 19860 1 351 . 1 1 26 26 ARG CA C 13 57.1710 0.3 . 1 . . . A 26 ARG CA . 19860 1 352 . 1 1 26 26 ARG CB C 13 30.7480 0.3 . 1 . . . A 26 ARG CB . 19860 1 353 . 1 1 26 26 ARG CG C 13 27.1080 0.3 . 1 . . . A 26 ARG CG . 19860 1 354 . 1 1 26 26 ARG CD C 13 43.3700 0.3 . 1 . . . A 26 ARG CD . 19860 1 355 . 1 1 26 26 ARG N N 15 123.0080 0.2 . 1 . . . A 26 ARG N . 19860 1 356 . 1 1 26 26 ARG NE N 15 84.7000 0.2 . 1 . . . A 26 ARG NE . 19860 1 357 . 1 1 27 27 ASP H H 1 8.2460 0.02 . 1 . . . A 27 ASP H . 19860 1 358 . 1 1 27 27 ASP HA H 1 4.5980 0.02 . 1 . . . A 27 ASP HA . 19860 1 359 . 1 1 27 27 ASP HB2 H 1 2.6750 0.02 . 2 . . . A 27 ASP HB2 . 19860 1 360 . 1 1 27 27 ASP HB3 H 1 2.7430 0.02 . 2 . . . A 27 ASP HB3 . 19860 1 361 . 1 1 27 27 ASP C C 13 176.0280 0.3 . 1 . . . A 27 ASP C . 19860 1 362 . 1 1 27 27 ASP CA C 13 54.6570 0.3 . 1 . . . A 27 ASP CA . 19860 1 363 . 1 1 27 27 ASP CB C 13 41.4160 0.3 . 1 . . . A 27 ASP CB . 19860 1 364 . 1 1 27 27 ASP N N 15 118.2810 0.2 . 1 . . . A 27 ASP N . 19860 1 365 . 1 1 28 28 ASP H H 1 8.0340 0.02 . 1 . . . A 28 ASP H . 19860 1 366 . 1 1 28 28 ASP HA H 1 4.5630 0.02 . 1 . . . A 28 ASP HA . 19860 1 367 . 1 1 28 28 ASP HB2 H 1 2.7400 0.02 . 2 . . . A 28 ASP HB2 . 19860 1 368 . 1 1 28 28 ASP HB3 H 1 2.7400 0.02 . 2 . . . A 28 ASP HB3 . 19860 1 369 . 1 1 28 28 ASP C C 13 176.1650 0.3 . 1 . . . A 28 ASP C . 19860 1 370 . 1 1 28 28 ASP CA C 13 54.8220 0.3 . 1 . . . A 28 ASP CA . 19860 1 371 . 1 1 28 28 ASP CB C 13 41.1500 0.3 . 1 . . . A 28 ASP CB . 19860 1 372 . 1 1 28 28 ASP N N 15 118.6460 0.2 . 1 . . . A 28 ASP N . 19860 1 373 . 1 1 29 29 ASN H H 1 8.4730 0.02 . 1 . . . A 29 ASN H . 19860 1 374 . 1 1 29 29 ASN HA H 1 4.7340 0.02 . 1 . . . A 29 ASN HA . 19860 1 375 . 1 1 29 29 ASN HB2 H 1 2.8650 0.02 . 2 . . . A 29 ASN HB2 . 19860 1 376 . 1 1 29 29 ASN HB3 H 1 2.9240 0.02 . 2 . . . A 29 ASN HB3 . 19860 1 377 . 1 1 29 29 ASN HD21 H 1 7.6460 0.02 . 2 . . . A 29 ASN HD21 . 19860 1 378 . 1 1 29 29 ASN HD22 H 1 6.9860 0.02 . 2 . . . A 29 ASN HD22 . 19860 1 379 . 1 1 29 29 ASN C C 13 175.1160 0.3 . 1 . . . A 29 ASN C . 19860 1 380 . 1 1 29 29 ASN CA C 13 53.9510 0.3 . 1 . . . A 29 ASN CA . 19860 1 381 . 1 1 29 29 ASN CB C 13 38.7790 0.3 . 1 . . . A 29 ASN CB . 19860 1 382 . 1 1 29 29 ASN N N 15 117.5190 0.2 . 1 . . . A 29 ASN N . 19860 1 383 . 1 1 29 29 ASN ND2 N 15 113.1720 0.2 . 1 . . . A 29 ASN ND2 . 19860 1 384 . 1 1 30 30 SER H H 1 8.2060 0.02 . 1 . . . A 30 SER H . 19860 1 385 . 1 1 30 30 SER HA H 1 4.4930 0.02 . 1 . . . A 30 SER HA . 19860 1 386 . 1 1 30 30 SER HB2 H 1 3.9550 0.02 . 2 . . . A 30 SER HB2 . 19860 1 387 . 1 1 30 30 SER HB3 H 1 3.9550 0.02 . 2 . . . A 30 SER HB3 . 19860 1 388 . 1 1 30 30 SER C C 13 174.2350 0.3 . 1 . . . A 30 SER C . 19860 1 389 . 1 1 30 30 SER CA C 13 58.6690 0.3 . 1 . . . A 30 SER CA . 19860 1 390 . 1 1 30 30 SER CB C 13 64.4030 0.3 . 1 . . . A 30 SER CB . 19860 1 391 . 1 1 30 30 SER N N 15 114.9100 0.2 . 1 . . . A 30 SER N . 19860 1 392 . 1 1 31 31 VAL H H 1 8.2420 0.02 . 1 . . . A 31 VAL H . 19860 1 393 . 1 1 31 31 VAL HA H 1 4.0900 0.02 . 1 . . . A 31 VAL HA . 19860 1 394 . 1 1 31 31 VAL HB H 1 2.0940 0.02 . 1 . . . A 31 VAL HB . 19860 1 395 . 1 1 31 31 VAL HG11 H 1 0.8370 0.02 . 2 . . . A 31 VAL HG11 . 19860 1 396 . 1 1 31 31 VAL HG12 H 1 0.8370 0.02 . 2 . . . A 31 VAL HG12 . 19860 1 397 . 1 1 31 31 VAL HG13 H 1 0.8370 0.02 . 2 . . . A 31 VAL HG13 . 19860 1 398 . 1 1 31 31 VAL HG21 H 1 0.9730 0.02 . 2 . . . A 31 VAL HG21 . 19860 1 399 . 1 1 31 31 VAL HG22 H 1 0.9730 0.02 . 2 . . . A 31 VAL HG22 . 19860 1 400 . 1 1 31 31 VAL HG23 H 1 0.9730 0.02 . 2 . . . A 31 VAL HG23 . 19860 1 401 . 1 1 31 31 VAL C C 13 175.8730 0.3 . 1 . . . A 31 VAL C . 19860 1 402 . 1 1 31 31 VAL CA C 13 62.9390 0.3 . 1 . . . A 31 VAL CA . 19860 1 403 . 1 1 31 31 VAL CB C 13 32.8780 0.3 . 1 . . . A 31 VAL CB . 19860 1 404 . 1 1 31 31 VAL CG1 C 13 21.3420 0.3 . 2 . . . A 31 VAL CG1 . 19860 1 405 . 1 1 31 31 VAL CG2 C 13 21.1760 0.3 . 2 . . . A 31 VAL CG2 . 19860 1 406 . 1 1 31 31 VAL N N 15 121.6400 0.2 . 1 . . . A 31 VAL N . 19860 1 407 . 1 1 32 32 GLU H H 1 8.6790 0.02 . 1 . . . A 32 GLU H . 19860 1 408 . 1 1 32 32 GLU HA H 1 4.4170 0.02 . 1 . . . A 32 GLU HA . 19860 1 409 . 1 1 32 32 GLU HB2 H 1 1.8100 0.02 . 2 . . . A 32 GLU HB2 . 19860 1 410 . 1 1 32 32 GLU HB3 H 1 1.8500 0.02 . 2 . . . A 32 GLU HB3 . 19860 1 411 . 1 1 32 32 GLU HG2 H 1 2.1100 0.02 . 2 . . . A 32 GLU HG2 . 19860 1 412 . 1 1 32 32 GLU HG3 H 1 2.2300 0.02 . 2 . . . A 32 GLU HG3 . 19860 1 413 . 1 1 32 32 GLU C C 13 175.5320 0.3 . 1 . . . A 32 GLU C . 19860 1 414 . 1 1 32 32 GLU CA C 13 56.8860 0.3 . 1 . . . A 32 GLU CA . 19860 1 415 . 1 1 32 32 GLU CB C 13 31.0590 0.3 . 1 . . . A 32 GLU CB . 19860 1 416 . 1 1 32 32 GLU CG C 13 36.7400 0.3 . 1 . . . A 32 GLU CG . 19860 1 417 . 1 1 32 32 GLU N N 15 125.1440 0.2 . 1 . . . A 32 GLU N . 19860 1 418 . 1 1 33 33 LYS H H 1 8.2290 0.02 . 1 . . . A 33 LYS H . 19860 1 419 . 1 1 33 33 LYS HA H 1 4.5740 0.02 . 1 . . . A 33 LYS HA . 19860 1 420 . 1 1 33 33 LYS HB2 H 1 1.6850 0.02 . 2 . . . A 33 LYS HB2 . 19860 1 421 . 1 1 33 33 LYS HB3 H 1 1.7440 0.02 . 2 . . . A 33 LYS HB3 . 19860 1 422 . 1 1 33 33 LYS HG2 H 1 1.2800 0.02 . 2 . . . A 33 LYS HG2 . 19860 1 423 . 1 1 33 33 LYS HG3 H 1 1.3800 0.02 . 2 . . . A 33 LYS HG3 . 19860 1 424 . 1 1 33 33 LYS HD2 H 1 1.6600 0.02 . 2 . . . A 33 LYS HD2 . 19860 1 425 . 1 1 33 33 LYS HD3 H 1 1.6600 0.02 . 2 . . . A 33 LYS HD3 . 19860 1 426 . 1 1 33 33 LYS HE2 H 1 2.9300 0.02 . 2 . . . A 33 LYS HE2 . 19860 1 427 . 1 1 33 33 LYS HE3 H 1 2.9300 0.02 . 2 . . . A 33 LYS HE3 . 19860 1 428 . 1 1 33 33 LYS C C 13 174.1940 0.3 . 1 . . . A 33 LYS C . 19860 1 429 . 1 1 33 33 LYS CA C 13 55.3240 0.3 . 1 . . . A 33 LYS CA . 19860 1 430 . 1 1 33 33 LYS CB C 13 35.2580 0.3 . 1 . . . A 33 LYS CB . 19860 1 431 . 1 1 33 33 LYS CG C 13 24.9900 0.3 . 1 . . . A 33 LYS CG . 19860 1 432 . 1 1 33 33 LYS CD C 13 29.3700 0.3 . 1 . . . A 33 LYS CD . 19860 1 433 . 1 1 33 33 LYS CE C 13 42.1500 0.3 . 1 . . . A 33 LYS CE . 19860 1 434 . 1 1 33 33 LYS N N 15 120.2220 0.2 . 1 . . . A 33 LYS N . 19860 1 435 . 1 1 34 34 TYR H H 1 8.5520 0.02 . 1 . . . A 34 TYR H . 19860 1 436 . 1 1 34 34 TYR HA H 1 4.9100 0.02 . 1 . . . A 34 TYR HA . 19860 1 437 . 1 1 34 34 TYR HB2 H 1 2.4840 0.02 . 2 . . . A 34 TYR HB2 . 19860 1 438 . 1 1 34 34 TYR HB3 H 1 2.9350 0.02 . 2 . . . A 34 TYR HB3 . 19860 1 439 . 1 1 34 34 TYR HD1 H 1 6.9510 0.02 . 3 . . . A 34 TYR HD1 . 19860 1 440 . 1 1 34 34 TYR HD2 H 1 6.9510 0.02 . 3 . . . A 34 TYR HD2 . 19860 1 441 . 1 1 34 34 TYR HE1 H 1 6.6560 0.02 . 3 . . . A 34 TYR HE1 . 19860 1 442 . 1 1 34 34 TYR HE2 H 1 6.6560 0.02 . 3 . . . A 34 TYR HE2 . 19860 1 443 . 1 1 34 34 TYR C C 13 175.6670 0.3 . 1 . . . A 34 TYR C . 19860 1 444 . 1 1 34 34 TYR CA C 13 56.9840 0.3 . 1 . . . A 34 TYR CA . 19860 1 445 . 1 1 34 34 TYR CB C 13 40.0360 0.3 . 1 . . . A 34 TYR CB . 19860 1 446 . 1 1 34 34 TYR CD1 C 13 133.0000 0.3 . 3 . . . A 34 TYR CD1 . 19860 1 447 . 1 1 34 34 TYR CD2 C 13 133.0000 0.3 . 3 . . . A 34 TYR CD2 . 19860 1 448 . 1 1 34 34 TYR CE1 C 13 118.0800 0.3 . 3 . . . A 34 TYR CE1 . 19860 1 449 . 1 1 34 34 TYR CE2 C 13 118.0800 0.3 . 3 . . . A 34 TYR CE2 . 19860 1 450 . 1 1 34 34 TYR N N 15 121.0140 0.2 . 1 . . . A 34 TYR N . 19860 1 451 . 1 1 35 35 VAL H H 1 9.3370 0.02 . 1 . . . A 35 VAL H . 19860 1 452 . 1 1 35 35 VAL HA H 1 4.3010 0.02 . 1 . . . A 35 VAL HA . 19860 1 453 . 1 1 35 35 VAL HB H 1 2.0630 0.02 . 1 . . . A 35 VAL HB . 19860 1 454 . 1 1 35 35 VAL HG11 H 1 0.8930 0.02 . 2 . . . A 35 VAL HG11 . 19860 1 455 . 1 1 35 35 VAL HG12 H 1 0.8930 0.02 . 2 . . . A 35 VAL HG12 . 19860 1 456 . 1 1 35 35 VAL HG13 H 1 0.8930 0.02 . 2 . . . A 35 VAL HG13 . 19860 1 457 . 1 1 35 35 VAL HG21 H 1 1.0040 0.02 . 2 . . . A 35 VAL HG21 . 19860 1 458 . 1 1 35 35 VAL HG22 H 1 1.0040 0.02 . 2 . . . A 35 VAL HG22 . 19860 1 459 . 1 1 35 35 VAL HG23 H 1 1.0040 0.02 . 2 . . . A 35 VAL HG23 . 19860 1 460 . 1 1 35 35 VAL C C 13 175.4900 0.3 . 1 . . . A 35 VAL C . 19860 1 461 . 1 1 35 35 VAL CA C 13 61.8690 0.3 . 1 . . . A 35 VAL CA . 19860 1 462 . 1 1 35 35 VAL CB C 13 33.5100 0.3 . 1 . . . A 35 VAL CB . 19860 1 463 . 1 1 35 35 VAL CG1 C 13 20.8590 0.3 . 2 . . . A 35 VAL CG1 . 19860 1 464 . 1 1 35 35 VAL CG2 C 13 20.8590 0.3 . 2 . . . A 35 VAL CG2 . 19860 1 465 . 1 1 35 35 VAL N N 15 124.6240 0.2 . 1 . . . A 35 VAL N . 19860 1 466 . 1 1 36 36 LEU H H 1 8.8450 0.02 . 1 . . . A 36 LEU H . 19860 1 467 . 1 1 36 36 LEU HA H 1 4.3260 0.02 . 1 . . . A 36 LEU HA . 19860 1 468 . 1 1 36 36 LEU HB2 H 1 1.7290 0.02 . 2 . . . A 36 LEU HB2 . 19860 1 469 . 1 1 36 36 LEU HB3 H 1 1.6010 0.02 . 2 . . . A 36 LEU HB3 . 19860 1 470 . 1 1 36 36 LEU HG H 1 1.8490 0.02 . 1 . . . A 36 LEU HG . 19860 1 471 . 1 1 36 36 LEU HD11 H 1 0.8920 0.02 . 2 . . . A 36 LEU HD11 . 19860 1 472 . 1 1 36 36 LEU HD12 H 1 0.8920 0.02 . 2 . . . A 36 LEU HD12 . 19860 1 473 . 1 1 36 36 LEU HD13 H 1 0.8920 0.02 . 2 . . . A 36 LEU HD13 . 19860 1 474 . 1 1 36 36 LEU HD21 H 1 0.8320 0.02 . 2 . . . A 36 LEU HD21 . 19860 1 475 . 1 1 36 36 LEU HD22 H 1 0.8320 0.02 . 2 . . . A 36 LEU HD22 . 19860 1 476 . 1 1 36 36 LEU HD23 H 1 0.8320 0.02 . 2 . . . A 36 LEU HD23 . 19860 1 477 . 1 1 36 36 LEU C C 13 177.3550 0.3 . 1 . . . A 36 LEU C . 19860 1 478 . 1 1 36 36 LEU CA C 13 56.6120 0.3 . 1 . . . A 36 LEU CA . 19860 1 479 . 1 1 36 36 LEU CB C 13 41.8990 0.3 . 1 . . . A 36 LEU CB . 19860 1 480 . 1 1 36 36 LEU CG C 13 27.9700 0.3 . 1 . . . A 36 LEU CG . 19860 1 481 . 1 1 36 36 LEU CD1 C 13 24.9900 0.3 . 2 . . . A 36 LEU CD1 . 19860 1 482 . 1 1 36 36 LEU CD2 C 13 24.4700 0.3 . 2 . . . A 36 LEU CD2 . 19860 1 483 . 1 1 36 36 LEU N N 15 127.8140 0.2 . 1 . . . A 36 LEU N . 19860 1 484 . 1 1 37 37 THR H H 1 7.3740 0.02 . 1 . . . A 37 THR H . 19860 1 485 . 1 1 37 37 THR HA H 1 4.9040 0.02 . 1 . . . A 37 THR HA . 19860 1 486 . 1 1 37 37 THR HB H 1 4.5750 0.02 . 1 . . . A 37 THR HB . 19860 1 487 . 1 1 37 37 THR HG21 H 1 1.3320 0.02 . 1 . . . A 37 THR HG21 . 19860 1 488 . 1 1 37 37 THR HG22 H 1 1.3320 0.02 . 1 . . . A 37 THR HG22 . 19860 1 489 . 1 1 37 37 THR HG23 H 1 1.3320 0.02 . 1 . . . A 37 THR HG23 . 19860 1 490 . 1 1 37 37 THR C C 13 173.2280 0.3 . 1 . . . A 37 THR C . 19860 1 491 . 1 1 37 37 THR CA C 13 61.0230 0.3 . 1 . . . A 37 THR CA . 19860 1 492 . 1 1 37 37 THR CB C 13 70.8290 0.3 . 1 . . . A 37 THR CB . 19860 1 493 . 1 1 37 37 THR CG2 C 13 20.7780 0.3 . 1 . . . A 37 THR CG2 . 19860 1 494 . 1 1 37 37 THR N N 15 112.0160 0.2 . 1 . . . A 37 THR N . 19860 1 495 . 1 1 38 38 SER H H 1 8.3870 0.02 . 1 . . . A 38 SER H . 19860 1 496 . 1 1 38 38 SER HA H 1 4.6350 0.02 . 1 . . . A 38 SER HA . 19860 1 497 . 1 1 38 38 SER HB2 H 1 3.9340 0.02 . 2 . . . A 38 SER HB2 . 19860 1 498 . 1 1 38 38 SER HB3 H 1 4.1390 0.02 . 2 . . . A 38 SER HB3 . 19860 1 499 . 1 1 38 38 SER C C 13 174.6060 0.3 . 1 . . . A 38 SER C . 19860 1 500 . 1 1 38 38 SER CA C 13 57.9570 0.3 . 1 . . . A 38 SER CA . 19860 1 501 . 1 1 38 38 SER CB C 13 63.8490 0.3 . 1 . . . A 38 SER CB . 19860 1 502 . 1 1 38 38 SER N N 15 111.0490 0.2 . 1 . . . A 38 SER N . 19860 1 503 . 1 1 39 39 HIS H H 1 8.4240 0.02 . 1 . . . A 39 HIS H . 19860 1 504 . 1 1 39 39 HIS HA H 1 4.7680 0.02 . 1 . . . A 39 HIS HA . 19860 1 505 . 1 1 39 39 HIS HB2 H 1 3.1660 0.02 . 2 . . . A 39 HIS HB2 . 19860 1 506 . 1 1 39 39 HIS HB3 H 1 3.2660 0.02 . 2 . . . A 39 HIS HB3 . 19860 1 507 . 1 1 39 39 HIS HD2 H 1 7.0420 0.02 . 1 . . . A 39 HIS HD2 . 19860 1 508 . 1 1 39 39 HIS C C 13 173.1430 0.3 . 1 . . . A 39 HIS C . 19860 1 509 . 1 1 39 39 HIS CA C 13 56.3280 0.3 . 1 . . . A 39 HIS CA . 19860 1 510 . 1 1 39 39 HIS CB C 13 29.9380 0.3 . 1 . . . A 39 HIS CB . 19860 1 511 . 1 1 39 39 HIS CD2 C 13 119.5260 0.3 . 1 . . . A 39 HIS CD2 . 19860 1 512 . 1 1 39 39 HIS N N 15 122.2300 0.2 . 1 . . . A 39 HIS N . 19860 1 513 . 1 1 40 40 VAL H H 1 8.3640 0.02 . 1 . . . A 40 VAL H . 19860 1 514 . 1 1 40 40 VAL HA H 1 4.9150 0.02 . 1 . . . A 40 VAL HA . 19860 1 515 . 1 1 40 40 VAL HB H 1 2.0300 0.02 . 1 . . . A 40 VAL HB . 19860 1 516 . 1 1 40 40 VAL HG11 H 1 0.7870 0.02 . 2 . . . A 40 VAL HG11 . 19860 1 517 . 1 1 40 40 VAL HG12 H 1 0.7870 0.02 . 2 . . . A 40 VAL HG12 . 19860 1 518 . 1 1 40 40 VAL HG13 H 1 0.7870 0.02 . 2 . . . A 40 VAL HG13 . 19860 1 519 . 1 1 40 40 VAL HG21 H 1 0.9400 0.02 . 2 . . . A 40 VAL HG21 . 19860 1 520 . 1 1 40 40 VAL HG22 H 1 0.9400 0.02 . 2 . . . A 40 VAL HG22 . 19860 1 521 . 1 1 40 40 VAL HG23 H 1 0.9400 0.02 . 2 . . . A 40 VAL HG23 . 19860 1 522 . 1 1 40 40 VAL C C 13 175.7630 0.3 . 1 . . . A 40 VAL C . 19860 1 523 . 1 1 40 40 VAL CA C 13 60.6120 0.3 . 1 . . . A 40 VAL CA . 19860 1 524 . 1 1 40 40 VAL CB C 13 34.0850 0.3 . 1 . . . A 40 VAL CB . 19860 1 525 . 1 1 40 40 VAL CG1 C 13 21.7370 0.3 . 2 . . . A 40 VAL CG1 . 19860 1 526 . 1 1 40 40 VAL CG2 C 13 21.7350 0.3 . 2 . . . A 40 VAL CG2 . 19860 1 527 . 1 1 40 40 VAL N N 15 126.5820 0.2 . 1 . . . A 40 VAL N . 19860 1 528 . 1 1 41 41 SER H H 1 9.2970 0.02 . 1 . . . A 41 SER H . 19860 1 529 . 1 1 41 41 SER HA H 1 4.9470 0.02 . 1 . . . A 41 SER HA . 19860 1 530 . 1 1 41 41 SER HB2 H 1 3.9620 0.02 . 2 . . . A 41 SER HB2 . 19860 1 531 . 1 1 41 41 SER HB3 H 1 3.9620 0.02 . 2 . . . A 41 SER HB3 . 19860 1 532 . 1 1 41 41 SER C C 13 174.5050 0.3 . 1 . . . A 41 SER C . 19860 1 533 . 1 1 41 41 SER CA C 13 57.0010 0.3 . 1 . . . A 41 SER CA . 19860 1 534 . 1 1 41 41 SER CB C 13 65.5040 0.3 . 1 . . . A 41 SER CB . 19860 1 535 . 1 1 41 41 SER N N 15 121.0670 0.2 . 1 . . . A 41 SER N . 19860 1 536 . 1 1 42 42 LYS H H 1 8.9620 0.02 . 1 . . . A 42 LYS H . 19860 1 537 . 1 1 42 42 LYS HA H 1 4.9050 0.02 . 1 . . . A 42 LYS HA . 19860 1 538 . 1 1 42 42 LYS HB2 H 1 1.8250 0.02 . 2 . . . A 42 LYS HB2 . 19860 1 539 . 1 1 42 42 LYS HB3 H 1 2.0770 0.02 . 2 . . . A 42 LYS HB3 . 19860 1 540 . 1 1 42 42 LYS HG2 H 1 1.4752 0.02 . 2 . . . A 42 LYS HG2 . 19860 1 541 . 1 1 42 42 LYS HG3 H 1 1.5530 0.02 . 2 . . . A 42 LYS HG3 . 19860 1 542 . 1 1 42 42 LYS HD2 H 1 1.7750 0.02 . 2 . . . A 42 LYS HD2 . 19860 1 543 . 1 1 42 42 LYS HD3 H 1 1.7750 0.02 . 2 . . . A 42 LYS HD3 . 19860 1 544 . 1 1 42 42 LYS HE2 H 1 3.0190 0.02 . 2 . . . A 42 LYS HE2 . 19860 1 545 . 1 1 42 42 LYS HE3 H 1 3.0190 0.02 . 2 . . . A 42 LYS HE3 . 19860 1 546 . 1 1 42 42 LYS C C 13 175.0370 0.3 . 1 . . . A 42 LYS C . 19860 1 547 . 1 1 42 42 LYS CA C 13 56.6000 0.3 . 1 . . . A 42 LYS CA . 19860 1 548 . 1 1 42 42 LYS CB C 13 32.8270 0.3 . 1 . . . A 42 LYS CB . 19860 1 549 . 1 1 42 42 LYS CG C 13 25.3400 0.3 . 1 . . . A 42 LYS CG . 19860 1 550 . 1 1 42 42 LYS CD C 13 29.3800 0.3 . 1 . . . A 42 LYS CD . 19860 1 551 . 1 1 42 42 LYS CE C 13 42.3200 0.3 . 1 . . . A 42 LYS CE . 19860 1 552 . 1 1 42 42 LYS N N 15 123.8120 0.2 . 1 . . . A 42 LYS N . 19860 1 553 . 1 1 43 43 ASN H H 1 8.0530 0.02 . 1 . . . A 43 ASN H . 19860 1 554 . 1 1 43 43 ASN HA H 1 4.9060 0.02 . 1 . . . A 43 ASN HA . 19860 1 555 . 1 1 43 43 ASN HB2 H 1 2.5970 0.02 . 2 . . . A 43 ASN HB2 . 19860 1 556 . 1 1 43 43 ASN HB3 H 1 2.6590 0.02 . 2 . . . A 43 ASN HB3 . 19860 1 557 . 1 1 43 43 ASN HD21 H 1 7.6430 0.02 . 2 . . . A 43 ASN HD21 . 19860 1 558 . 1 1 43 43 ASN HD22 H 1 6.9720 0.02 . 2 . . . A 43 ASN HD22 . 19860 1 559 . 1 1 43 43 ASN C C 13 173.4790 0.3 . 1 . . . A 43 ASN C . 19860 1 560 . 1 1 43 43 ASN CA C 13 51.8400 0.3 . 1 . . . A 43 ASN CA . 19860 1 561 . 1 1 43 43 ASN CB C 13 40.7630 0.3 . 1 . . . A 43 ASN CB . 19860 1 562 . 1 1 43 43 ASN N N 15 115.7790 0.2 . 1 . . . A 43 ASN N . 19860 1 563 . 1 1 43 43 ASN ND2 N 15 114.2730 0.2 . 1 . . . A 43 ASN ND2 . 19860 1 564 . 1 1 44 44 ARG H H 1 8.5650 0.02 . 1 . . . A 44 ARG H . 19860 1 565 . 1 1 44 44 ARG HA H 1 3.2170 0.02 . 1 . . . A 44 ARG HA . 19860 1 566 . 1 1 44 44 ARG HB2 H 1 1.2620 0.02 . 2 . . . A 44 ARG HB2 . 19860 1 567 . 1 1 44 44 ARG HB3 H 1 1.3170 0.02 . 2 . . . A 44 ARG HB3 . 19860 1 568 . 1 1 44 44 ARG HG2 H 1 1.1530 0.02 . 2 . . . A 44 ARG HG2 . 19860 1 569 . 1 1 44 44 ARG HG3 H 1 0.9070 0.02 . 2 . . . A 44 ARG HG3 . 19860 1 570 . 1 1 44 44 ARG HD2 H 1 2.8770 0.02 . 2 . . . A 44 ARG HD2 . 19860 1 571 . 1 1 44 44 ARG HD3 H 1 2.8770 0.02 . 2 . . . A 44 ARG HD3 . 19860 1 572 . 1 1 44 44 ARG HE H 1 7.1470 0.02 . 1 . . . A 44 ARG HE . 19860 1 573 . 1 1 44 44 ARG C C 13 173.8690 0.3 . 1 . . . A 44 ARG C . 19860 1 574 . 1 1 44 44 ARG CA C 13 54.0340 0.3 . 1 . . . A 44 ARG CA . 19860 1 575 . 1 1 44 44 ARG CB C 13 29.9170 0.3 . 1 . . . A 44 ARG CB . 19860 1 576 . 1 1 44 44 ARG CG C 13 26.8900 0.3 . 1 . . . A 44 ARG CG . 19860 1 577 . 1 1 44 44 ARG CD C 13 43.5400 0.3 . 1 . . . A 44 ARG CD . 19860 1 578 . 1 1 44 44 ARG N N 15 124.4710 0.2 . 1 . . . A 44 ARG N . 19860 1 579 . 1 1 44 44 ARG NE N 15 84.8800 0.2 . 1 . . . A 44 ARG NE . 19860 1 580 . 1 1 45 45 PRO HA H 1 4.1230 0.02 . 1 . . . A 45 PRO HA . 19860 1 581 . 1 1 45 45 PRO HB2 H 1 1.7230 0.02 . 2 . . . A 45 PRO HB2 . 19860 1 582 . 1 1 45 45 PRO HB3 H 1 1.3040 0.02 . 2 . . . A 45 PRO HB3 . 19860 1 583 . 1 1 45 45 PRO HG2 H 1 0.9690 0.02 . 2 . . . A 45 PRO HG2 . 19860 1 584 . 1 1 45 45 PRO HG3 H 1 0.9690 0.02 . 2 . . . A 45 PRO HG3 . 19860 1 585 . 1 1 45 45 PRO HD2 H 1 2.3350 0.02 . 2 . . . A 45 PRO HD2 . 19860 1 586 . 1 1 45 45 PRO HD3 H 1 3.0140 0.02 . 2 . . . A 45 PRO HD3 . 19860 1 587 . 1 1 45 45 PRO C C 13 176.4340 0.3 . 1 . . . A 45 PRO C . 19860 1 588 . 1 1 45 45 PRO CA C 13 62.2920 0.3 . 1 . . . A 45 PRO CA . 19860 1 589 . 1 1 45 45 PRO CB C 13 32.1100 0.3 . 1 . . . A 45 PRO CB . 19860 1 590 . 1 1 45 45 PRO CG C 13 26.6670 0.3 . 1 . . . A 45 PRO CG . 19860 1 591 . 1 1 45 45 PRO CD C 13 50.0240 0.3 . 1 . . . A 45 PRO CD . 19860 1 592 . 1 1 46 46 LYS H H 1 8.4700 0.02 . 1 . . . A 46 LYS H . 19860 1 593 . 1 1 46 46 LYS HA H 1 4.1100 0.02 . 1 . . . A 46 LYS HA . 19860 1 594 . 1 1 46 46 LYS HB2 H 1 1.7300 0.02 . 2 . . . A 46 LYS HB2 . 19860 1 595 . 1 1 46 46 LYS HB3 H 1 1.7300 0.02 . 2 . . . A 46 LYS HB3 . 19860 1 596 . 1 1 46 46 LYS HG2 H 1 1.4340 0.02 . 2 . . . A 46 LYS HG2 . 19860 1 597 . 1 1 46 46 LYS HG3 H 1 1.4340 0.02 . 2 . . . A 46 LYS HG3 . 19860 1 598 . 1 1 46 46 LYS HD2 H 1 1.6750 0.02 . 2 . . . A 46 LYS HD2 . 19860 1 599 . 1 1 46 46 LYS HD3 H 1 1.6750 0.02 . 2 . . . A 46 LYS HD3 . 19860 1 600 . 1 1 46 46 LYS HE2 H 1 3.0060 0.02 . 2 . . . A 46 LYS HE2 . 19860 1 601 . 1 1 46 46 LYS HE3 H 1 3.0060 0.02 . 2 . . . A 46 LYS HE3 . 19860 1 602 . 1 1 46 46 LYS C C 13 176.9310 0.3 . 1 . . . A 46 LYS C . 19860 1 603 . 1 1 46 46 LYS CA C 13 57.0000 0.3 . 1 . . . A 46 LYS CA . 19860 1 604 . 1 1 46 46 LYS CB C 13 33.0950 0.3 . 1 . . . A 46 LYS CB . 19860 1 605 . 1 1 46 46 LYS CG C 13 25.0270 0.3 . 1 . . . A 46 LYS CG . 19860 1 606 . 1 1 46 46 LYS CD C 13 29.1000 0.3 . 1 . . . A 46 LYS CD . 19860 1 607 . 1 1 46 46 LYS CE C 13 42.2000 0.3 . 1 . . . A 46 LYS CE . 19860 1 608 . 1 1 46 46 LYS N N 15 122.5290 0.2 . 1 . . . A 46 LYS N . 19860 1 609 . 1 1 47 47 ASN H H 1 8.7450 0.02 . 1 . . . A 47 ASN H . 19860 1 610 . 1 1 47 47 ASN HA H 1 4.5890 0.02 . 1 . . . A 47 ASN HA . 19860 1 611 . 1 1 47 47 ASN HB2 H 1 2.8710 0.02 . 2 . . . A 47 ASN HB2 . 19860 1 612 . 1 1 47 47 ASN HB3 H 1 2.9360 0.02 . 2 . . . A 47 ASN HB3 . 19860 1 613 . 1 1 47 47 ASN HD21 H 1 7.7050 0.02 . 2 . . . A 47 ASN HD21 . 19860 1 614 . 1 1 47 47 ASN HD22 H 1 6.9880 0.02 . 2 . . . A 47 ASN HD22 . 19860 1 615 . 1 1 47 47 ASN C C 13 174.0110 0.3 . 1 . . . A 47 ASN C . 19860 1 616 . 1 1 47 47 ASN CA C 13 53.4930 0.3 . 1 . . . A 47 ASN CA . 19860 1 617 . 1 1 47 47 ASN CB C 13 37.8680 0.3 . 1 . . . A 47 ASN CB . 19860 1 618 . 1 1 47 47 ASN N N 15 117.1220 0.2 . 1 . . . A 47 ASN N . 19860 1 619 . 1 1 47 47 ASN ND2 N 15 113.2070 0.2 . 1 . . . A 47 ASN ND2 . 19860 1 620 . 1 1 48 48 ALA H H 1 7.3940 0.02 . 1 . . . A 48 ALA H . 19860 1 621 . 1 1 48 48 ALA HA H 1 4.6090 0.02 . 1 . . . A 48 ALA HA . 19860 1 622 . 1 1 48 48 ALA HB1 H 1 1.2440 0.02 . 1 . . . A 48 ALA HB1 . 19860 1 623 . 1 1 48 48 ALA HB2 H 1 1.2440 0.02 . 1 . . . A 48 ALA HB2 . 19860 1 624 . 1 1 48 48 ALA HB3 H 1 1.2440 0.02 . 1 . . . A 48 ALA HB3 . 19860 1 625 . 1 1 48 48 ALA C C 13 176.5060 0.3 . 1 . . . A 48 ALA C . 19860 1 626 . 1 1 48 48 ALA CA C 13 51.1360 0.3 . 1 . . . A 48 ALA CA . 19860 1 627 . 1 1 48 48 ALA CB C 13 22.3890 0.3 . 1 . . . A 48 ALA CB . 19860 1 628 . 1 1 48 48 ALA N N 15 119.9080 0.2 . 1 . . . A 48 ALA N . 19860 1 629 . 1 1 49 49 ILE H H 1 8.8780 0.02 . 1 . . . A 49 ILE H . 19860 1 630 . 1 1 49 49 ILE HA H 1 4.1400 0.02 . 1 . . . A 49 ILE HA . 19860 1 631 . 1 1 49 49 ILE HB H 1 2.0480 0.02 . 1 . . . A 49 ILE HB . 19860 1 632 . 1 1 49 49 ILE HG12 H 1 1.3390 0.02 . 2 . . . A 49 ILE HG12 . 19860 1 633 . 1 1 49 49 ILE HG13 H 1 1.7200 0.02 . 2 . . . A 49 ILE HG13 . 19860 1 634 . 1 1 49 49 ILE HG21 H 1 0.9790 0.02 . 1 . . . A 49 ILE HG21 . 19860 1 635 . 1 1 49 49 ILE HG22 H 1 0.9790 0.02 . 1 . . . A 49 ILE HG22 . 19860 1 636 . 1 1 49 49 ILE HG23 H 1 0.9790 0.02 . 1 . . . A 49 ILE HG23 . 19860 1 637 . 1 1 49 49 ILE HD11 H 1 0.9510 0.02 . 1 . . . A 49 ILE HD11 . 19860 1 638 . 1 1 49 49 ILE HD12 H 1 0.9510 0.02 . 1 . . . A 49 ILE HD12 . 19860 1 639 . 1 1 49 49 ILE HD13 H 1 0.9510 0.02 . 1 . . . A 49 ILE HD13 . 19860 1 640 . 1 1 49 49 ILE C C 13 174.7310 0.3 . 1 . . . A 49 ILE C . 19860 1 641 . 1 1 49 49 ILE CA C 13 61.5970 0.3 . 1 . . . A 49 ILE CA . 19860 1 642 . 1 1 49 49 ILE CB C 13 38.1660 0.3 . 1 . . . A 49 ILE CB . 19860 1 643 . 1 1 49 49 ILE CG1 C 13 27.7310 0.3 . 1 . . . A 49 ILE CG1 . 19860 1 644 . 1 1 49 49 ILE CG2 C 13 17.4240 0.3 . 1 . . . A 49 ILE CG2 . 19860 1 645 . 1 1 49 49 ILE CD1 C 13 12.6580 0.3 . 1 . . . A 49 ILE CD1 . 19860 1 646 . 1 1 49 49 ILE N N 15 123.1920 0.2 . 1 . . . A 49 ILE N . 19860 1 647 . 1 1 50 50 VAL H H 1 8.3710 0.02 . 1 . . . A 50 VAL H . 19860 1 648 . 1 1 50 50 VAL HA H 1 5.2890 0.02 . 1 . . . A 50 VAL HA . 19860 1 649 . 1 1 50 50 VAL HB H 1 2.0160 0.02 . 1 . . . A 50 VAL HB . 19860 1 650 . 1 1 50 50 VAL HG11 H 1 0.7800 0.02 . 2 . . . A 50 VAL HG11 . 19860 1 651 . 1 1 50 50 VAL HG12 H 1 0.7800 0.02 . 2 . . . A 50 VAL HG12 . 19860 1 652 . 1 1 50 50 VAL HG13 H 1 0.7800 0.02 . 2 . . . A 50 VAL HG13 . 19860 1 653 . 1 1 50 50 VAL HG21 H 1 1.1050 0.02 . 2 . . . A 50 VAL HG21 . 19860 1 654 . 1 1 50 50 VAL HG22 H 1 1.1050 0.02 . 2 . . . A 50 VAL HG22 . 19860 1 655 . 1 1 50 50 VAL HG23 H 1 1.1050 0.02 . 2 . . . A 50 VAL HG23 . 19860 1 656 . 1 1 50 50 VAL C C 13 176.4110 0.3 . 1 . . . A 50 VAL C . 19860 1 657 . 1 1 50 50 VAL CA C 13 60.4990 0.3 . 1 . . . A 50 VAL CA . 19860 1 658 . 1 1 50 50 VAL CB C 13 33.8900 0.3 . 1 . . . A 50 VAL CB . 19860 1 659 . 1 1 50 50 VAL CG1 C 13 21.4730 0.3 . 2 . . . A 50 VAL CG1 . 19860 1 660 . 1 1 50 50 VAL CG2 C 13 22.7410 0.3 . 2 . . . A 50 VAL CG2 . 19860 1 661 . 1 1 50 50 VAL N N 15 127.5520 0.2 . 1 . . . A 50 VAL N . 19860 1 662 . 1 1 51 51 ILE H H 1 9.3140 0.02 . 1 . . . A 51 ILE H . 19860 1 663 . 1 1 51 51 ILE HA H 1 4.6910 0.02 . 1 . . . A 51 ILE HA . 19860 1 664 . 1 1 51 51 ILE HB H 1 1.8840 0.02 . 1 . . . A 51 ILE HB . 19860 1 665 . 1 1 51 51 ILE HG12 H 1 1.0960 0.02 . 2 . . . A 51 ILE HG12 . 19860 1 666 . 1 1 51 51 ILE HG13 H 1 1.4730 0.02 . 2 . . . A 51 ILE HG13 . 19860 1 667 . 1 1 51 51 ILE HG21 H 1 0.9990 0.02 . 1 . . . A 51 ILE HG21 . 19860 1 668 . 1 1 51 51 ILE HG22 H 1 0.9990 0.02 . 1 . . . A 51 ILE HG22 . 19860 1 669 . 1 1 51 51 ILE HG23 H 1 0.9990 0.02 . 1 . . . A 51 ILE HG23 . 19860 1 670 . 1 1 51 51 ILE HD11 H 1 0.8750 0.02 . 1 . . . A 51 ILE HD11 . 19860 1 671 . 1 1 51 51 ILE HD12 H 1 0.8750 0.02 . 1 . . . A 51 ILE HD12 . 19860 1 672 . 1 1 51 51 ILE HD13 H 1 0.8750 0.02 . 1 . . . A 51 ILE HD13 . 19860 1 673 . 1 1 51 51 ILE C C 13 175.3220 0.3 . 1 . . . A 51 ILE C . 19860 1 674 . 1 1 51 51 ILE CA C 13 59.4390 0.3 . 1 . . . A 51 ILE CA . 19860 1 675 . 1 1 51 51 ILE CB C 13 41.1890 0.3 . 1 . . . A 51 ILE CB . 19860 1 676 . 1 1 51 51 ILE CG1 C 13 27.0250 0.3 . 1 . . . A 51 ILE CG1 . 19860 1 677 . 1 1 51 51 ILE CG2 C 13 17.2740 0.3 . 1 . . . A 51 ILE CG2 . 19860 1 678 . 1 1 51 51 ILE CD1 C 13 13.6480 0.3 . 1 . . . A 51 ILE CD1 . 19860 1 679 . 1 1 51 51 ILE N N 15 126.9060 0.2 . 1 . . . A 51 ILE N . 19860 1 680 . 1 1 52 52 LYS H H 1 8.7370 0.02 . 1 . . . A 52 LYS H . 19860 1 681 . 1 1 52 52 LYS HA H 1 4.6860 0.02 . 1 . . . A 52 LYS HA . 19860 1 682 . 1 1 52 52 LYS HB2 H 1 1.8620 0.02 . 2 . . . A 52 LYS HB2 . 19860 1 683 . 1 1 52 52 LYS HB3 H 1 2.1430 0.02 . 2 . . . A 52 LYS HB3 . 19860 1 684 . 1 1 52 52 LYS HG2 H 1 1.6130 0.02 . 2 . . . A 52 LYS HG2 . 19860 1 685 . 1 1 52 52 LYS HG3 H 1 1.7260 0.02 . 2 . . . A 52 LYS HG3 . 19860 1 686 . 1 1 52 52 LYS HD2 H 1 1.8010 0.02 . 2 . . . A 52 LYS HD2 . 19860 1 687 . 1 1 52 52 LYS HD3 H 1 1.8010 0.02 . 2 . . . A 52 LYS HD3 . 19860 1 688 . 1 1 52 52 LYS HE2 H 1 3.0920 0.02 . 2 . . . A 52 LYS HE2 . 19860 1 689 . 1 1 52 52 LYS HE3 H 1 3.0920 0.02 . 2 . . . A 52 LYS HE3 . 19860 1 690 . 1 1 52 52 LYS C C 13 178.2370 0.3 . 1 . . . A 52 LYS C . 19860 1 691 . 1 1 52 52 LYS CA C 13 56.1200 0.3 . 1 . . . A 52 LYS CA . 19860 1 692 . 1 1 52 52 LYS CB C 13 33.3920 0.3 . 1 . . . A 52 LYS CB . 19860 1 693 . 1 1 52 52 LYS CG C 13 25.4660 0.3 . 1 . . . A 52 LYS CG . 19860 1 694 . 1 1 52 52 LYS CD C 13 29.3380 0.3 . 1 . . . A 52 LYS CD . 19860 1 695 . 1 1 52 52 LYS CE C 13 42.1250 0.3 . 1 . . . A 52 LYS CE . 19860 1 696 . 1 1 52 52 LYS N N 15 123.5230 0.2 . 1 . . . A 52 LYS N . 19860 1 697 . 1 1 53 53 MET H H 1 8.7990 0.02 . 1 . . . A 53 MET H . 19860 1 698 . 1 1 53 53 MET HA H 1 3.9080 0.02 . 1 . . . A 53 MET HA . 19860 1 699 . 1 1 53 53 MET HB2 H 1 1.9560 0.02 . 2 . . . A 53 MET HB2 . 19860 1 700 . 1 1 53 53 MET HB3 H 1 2.1300 0.02 . 2 . . . A 53 MET HB3 . 19860 1 701 . 1 1 53 53 MET HG2 H 1 2.3880 0.02 . 2 . . . A 53 MET HG2 . 19860 1 702 . 1 1 53 53 MET HG3 H 1 2.5970 0.02 . 2 . . . A 53 MET HG3 . 19860 1 703 . 1 1 53 53 MET HE1 H 1 2.0430 0.02 . 1 . . . A 53 MET HE1 . 19860 1 704 . 1 1 53 53 MET HE2 H 1 2.0430 0.02 . 1 . . . A 53 MET HE2 . 19860 1 705 . 1 1 53 53 MET HE3 H 1 2.0430 0.02 . 1 . . . A 53 MET HE3 . 19860 1 706 . 1 1 53 53 MET C C 13 177.4010 0.3 . 1 . . . A 53 MET C . 19860 1 707 . 1 1 53 53 MET CA C 13 58.7250 0.3 . 1 . . . A 53 MET CA . 19860 1 708 . 1 1 53 53 MET CB C 13 33.3830 0.3 . 1 . . . A 53 MET CB . 19860 1 709 . 1 1 53 53 MET CG C 13 32.1200 0.3 . 1 . . . A 53 MET CG . 19860 1 710 . 1 1 53 53 MET CE C 13 17.2230 0.3 . 1 . . . A 53 MET CE . 19860 1 711 . 1 1 53 53 MET N N 15 119.7010 0.2 . 1 . . . A 53 MET N . 19860 1 712 . 1 1 54 54 ASP H H 1 8.2620 0.02 . 1 . . . A 54 ASP H . 19860 1 713 . 1 1 54 54 ASP HA H 1 4.2880 0.02 . 1 . . . A 54 ASP HA . 19860 1 714 . 1 1 54 54 ASP HB2 H 1 2.4610 0.02 . 2 . . . A 54 ASP HB2 . 19860 1 715 . 1 1 54 54 ASP HB3 H 1 2.7010 0.02 . 2 . . . A 54 ASP HB3 . 19860 1 716 . 1 1 54 54 ASP C C 13 176.6490 0.3 . 1 . . . A 54 ASP C . 19860 1 717 . 1 1 54 54 ASP CA C 13 56.6820 0.3 . 1 . . . A 54 ASP CA . 19860 1 718 . 1 1 54 54 ASP CB C 13 40.6700 0.3 . 1 . . . A 54 ASP CB . 19860 1 719 . 1 1 54 54 ASP N N 15 113.3570 0.2 . 1 . . . A 54 ASP N . 19860 1 720 . 1 1 55 55 ASN H H 1 7.9710 0.02 . 1 . . . A 55 ASN H . 19860 1 721 . 1 1 55 55 ASN HA H 1 5.0010 0.02 . 1 . . . A 55 ASN HA . 19860 1 722 . 1 1 55 55 ASN HB2 H 1 2.6880 0.02 . 2 . . . A 55 ASN HB2 . 19860 1 723 . 1 1 55 55 ASN HB3 H 1 3.1290 0.02 . 2 . . . A 55 ASN HB3 . 19860 1 724 . 1 1 55 55 ASN HD21 H 1 7.7240 0.02 . 2 . . . A 55 ASN HD21 . 19860 1 725 . 1 1 55 55 ASN HD22 H 1 7.0800 0.02 . 2 . . . A 55 ASN HD22 . 19860 1 726 . 1 1 55 55 ASN C C 13 175.0320 0.3 . 1 . . . A 55 ASN C . 19860 1 727 . 1 1 55 55 ASN CA C 13 52.8970 0.3 . 1 . . . A 55 ASN CA . 19860 1 728 . 1 1 55 55 ASN CB C 13 39.1840 0.3 . 1 . . . A 55 ASN CB . 19860 1 729 . 1 1 55 55 ASN N N 15 114.9350 0.2 . 1 . . . A 55 ASN N . 19860 1 730 . 1 1 55 55 ASN ND2 N 15 112.1680 0.2 . 1 . . . A 55 ASN ND2 . 19860 1 731 . 1 1 56 56 LEU H H 1 7.3310 0.02 . 1 . . . A 56 LEU H . 19860 1 732 . 1 1 56 56 LEU HA H 1 4.4880 0.02 . 1 . . . A 56 LEU HA . 19860 1 733 . 1 1 56 56 LEU HB2 H 1 1.1260 0.02 . 2 . . . A 56 LEU HB2 . 19860 1 734 . 1 1 56 56 LEU HB3 H 1 1.7270 0.02 . 2 . . . A 56 LEU HB3 . 19860 1 735 . 1 1 56 56 LEU HG H 1 1.7370 0.02 . 1 . . . A 56 LEU HG . 19860 1 736 . 1 1 56 56 LEU HD11 H 1 0.6240 0.02 . 2 . . . A 56 LEU HD11 . 19860 1 737 . 1 1 56 56 LEU HD12 H 1 0.6240 0.02 . 2 . . . A 56 LEU HD12 . 19860 1 738 . 1 1 56 56 LEU HD13 H 1 0.6240 0.02 . 2 . . . A 56 LEU HD13 . 19860 1 739 . 1 1 56 56 LEU HD21 H 1 0.7720 0.02 . 2 . . . A 56 LEU HD21 . 19860 1 740 . 1 1 56 56 LEU HD22 H 1 0.7720 0.02 . 2 . . . A 56 LEU HD22 . 19860 1 741 . 1 1 56 56 LEU HD23 H 1 0.7720 0.02 . 2 . . . A 56 LEU HD23 . 19860 1 742 . 1 1 56 56 LEU C C 13 174.1310 0.3 . 1 . . . A 56 LEU C . 19860 1 743 . 1 1 56 56 LEU CA C 13 52.9120 0.3 . 1 . . . A 56 LEU CA . 19860 1 744 . 1 1 56 56 LEU CB C 13 41.9580 0.3 . 1 . . . A 56 LEU CB . 19860 1 745 . 1 1 56 56 LEU CG C 13 26.3000 0.3 . 1 . . . A 56 LEU CG . 19860 1 746 . 1 1 56 56 LEU CD1 C 13 22.5930 0.3 . 2 . . . A 56 LEU CD1 . 19860 1 747 . 1 1 56 56 LEU CD2 C 13 27.0940 0.3 . 2 . . . A 56 LEU CD2 . 19860 1 748 . 1 1 56 56 LEU N N 15 120.3850 0.2 . 1 . . . A 56 LEU N . 19860 1 749 . 1 1 57 57 PRO HA H 1 4.6170 0.02 . 1 . . . A 57 PRO HA . 19860 1 750 . 1 1 57 57 PRO HB2 H 1 2.6640 0.02 . 2 . . . A 57 PRO HB2 . 19860 1 751 . 1 1 57 57 PRO HB3 H 1 1.8890 0.02 . 2 . . . A 57 PRO HB3 . 19860 1 752 . 1 1 57 57 PRO HG2 H 1 2.2270 0.02 . 2 . . . A 57 PRO HG2 . 19860 1 753 . 1 1 57 57 PRO HG3 H 1 2.2270 0.02 . 2 . . . A 57 PRO HG3 . 19860 1 754 . 1 1 57 57 PRO HD2 H 1 3.0740 0.02 . 2 . . . A 57 PRO HD2 . 19860 1 755 . 1 1 57 57 PRO HD3 H 1 3.9120 0.02 . 2 . . . A 57 PRO HD3 . 19860 1 756 . 1 1 57 57 PRO C C 13 178.6270 0.3 . 1 . . . A 57 PRO C . 19860 1 757 . 1 1 57 57 PRO CA C 13 62.7510 0.3 . 1 . . . A 57 PRO CA . 19860 1 758 . 1 1 57 57 PRO CB C 13 32.7180 0.3 . 1 . . . A 57 PRO CB . 19860 1 759 . 1 1 57 57 PRO CG C 13 28.3310 0.3 . 1 . . . A 57 PRO CG . 19860 1 760 . 1 1 57 57 PRO CD C 13 50.4420 0.3 . 1 . . . A 57 PRO CD . 19860 1 761 . 1 1 58 58 ILE H H 1 8.8820 0.02 . 1 . . . A 58 ILE H . 19860 1 762 . 1 1 58 58 ILE HA H 1 3.7830 0.02 . 1 . . . A 58 ILE HA . 19860 1 763 . 1 1 58 58 ILE HB H 1 1.9530 0.02 . 1 . . . A 58 ILE HB . 19860 1 764 . 1 1 58 58 ILE HG12 H 1 1.3930 0.02 . 2 . . . A 58 ILE HG12 . 19860 1 765 . 1 1 58 58 ILE HG13 H 1 1.6140 0.02 . 2 . . . A 58 ILE HG13 . 19860 1 766 . 1 1 58 58 ILE HG21 H 1 1.0350 0.02 . 1 . . . A 58 ILE HG21 . 19860 1 767 . 1 1 58 58 ILE HG22 H 1 1.0350 0.02 . 1 . . . A 58 ILE HG22 . 19860 1 768 . 1 1 58 58 ILE HG23 H 1 1.0350 0.02 . 1 . . . A 58 ILE HG23 . 19860 1 769 . 1 1 58 58 ILE HD11 H 1 0.9830 0.02 . 1 . . . A 58 ILE HD11 . 19860 1 770 . 1 1 58 58 ILE HD12 H 1 0.9830 0.02 . 1 . . . A 58 ILE HD12 . 19860 1 771 . 1 1 58 58 ILE HD13 H 1 0.9830 0.02 . 1 . . . A 58 ILE HD13 . 19860 1 772 . 1 1 58 58 ILE C C 13 176.7760 0.3 . 1 . . . A 58 ILE C . 19860 1 773 . 1 1 58 58 ILE CA C 13 64.5830 0.3 . 1 . . . A 58 ILE CA . 19860 1 774 . 1 1 58 58 ILE CB C 13 37.9590 0.3 . 1 . . . A 58 ILE CB . 19860 1 775 . 1 1 58 58 ILE CG1 C 13 28.7540 0.3 . 1 . . . A 58 ILE CG1 . 19860 1 776 . 1 1 58 58 ILE CG2 C 13 17.6900 0.3 . 1 . . . A 58 ILE CG2 . 19860 1 777 . 1 1 58 58 ILE CD1 C 13 13.5400 0.3 . 1 . . . A 58 ILE CD1 . 19860 1 778 . 1 1 58 58 ILE N N 15 125.2950 0.2 . 1 . . . A 58 ILE N . 19860 1 779 . 1 1 59 59 GLU H H 1 9.3480 0.02 . 1 . . . A 59 GLU H . 19860 1 780 . 1 1 59 59 GLU HA H 1 4.2540 0.02 . 1 . . . A 59 GLU HA . 19860 1 781 . 1 1 59 59 GLU HB2 H 1 2.0900 0.02 . 2 . . . A 59 GLU HB2 . 19860 1 782 . 1 1 59 59 GLU HB3 H 1 2.1300 0.02 . 2 . . . A 59 GLU HB3 . 19860 1 783 . 1 1 59 59 GLU HG2 H 1 2.4240 0.02 . 2 . . . A 59 GLU HG2 . 19860 1 784 . 1 1 59 59 GLU HG3 H 1 2.4240 0.02 . 2 . . . A 59 GLU HG3 . 19860 1 785 . 1 1 59 59 GLU C C 13 179.3700 0.3 . 1 . . . A 59 GLU C . 19860 1 786 . 1 1 59 59 GLU CA C 13 59.7570 0.3 . 1 . . . A 59 GLU CA . 19860 1 787 . 1 1 59 59 GLU CB C 13 29.0530 0.3 . 1 . . . A 59 GLU CB . 19860 1 788 . 1 1 59 59 GLU CG C 13 36.3790 0.3 . 1 . . . A 59 GLU CG . 19860 1 789 . 1 1 59 59 GLU N N 15 118.8690 0.2 . 1 . . . A 59 GLU N . 19860 1 790 . 1 1 60 60 VAL H H 1 7.2900 0.02 . 1 . . . A 60 VAL H . 19860 1 791 . 1 1 60 60 VAL HA H 1 3.7720 0.02 . 1 . . . A 60 VAL HA . 19860 1 792 . 1 1 60 60 VAL HB H 1 1.9700 0.02 . 1 . . . A 60 VAL HB . 19860 1 793 . 1 1 60 60 VAL HG11 H 1 0.7680 0.02 . 2 . . . A 60 VAL HG11 . 19860 1 794 . 1 1 60 60 VAL HG12 H 1 0.7680 0.02 . 2 . . . A 60 VAL HG12 . 19860 1 795 . 1 1 60 60 VAL HG13 H 1 0.7680 0.02 . 2 . . . A 60 VAL HG13 . 19860 1 796 . 1 1 60 60 VAL HG21 H 1 0.9820 0.02 . 2 . . . A 60 VAL HG21 . 19860 1 797 . 1 1 60 60 VAL HG22 H 1 0.9820 0.02 . 2 . . . A 60 VAL HG22 . 19860 1 798 . 1 1 60 60 VAL HG23 H 1 0.9820 0.02 . 2 . . . A 60 VAL HG23 . 19860 1 799 . 1 1 60 60 VAL C C 13 177.4510 0.3 . 1 . . . A 60 VAL C . 19860 1 800 . 1 1 60 60 VAL CA C 13 65.3310 0.3 . 1 . . . A 60 VAL CA . 19860 1 801 . 1 1 60 60 VAL CB C 13 31.8690 0.3 . 1 . . . A 60 VAL CB . 19860 1 802 . 1 1 60 60 VAL CG1 C 13 21.5090 0.3 . 2 . . . A 60 VAL CG1 . 19860 1 803 . 1 1 60 60 VAL CG2 C 13 22.6040 0.3 . 2 . . . A 60 VAL CG2 . 19860 1 804 . 1 1 60 60 VAL N N 15 118.9900 0.2 . 1 . . . A 60 VAL N . 19860 1 805 . 1 1 61 61 LYS H H 1 8.0430 0.02 . 1 . . . A 61 LYS H . 19860 1 806 . 1 1 61 61 LYS HA H 1 3.7820 0.02 . 1 . . . A 61 LYS HA . 19860 1 807 . 1 1 61 61 LYS HB2 H 1 1.9030 0.02 . 2 . . . A 61 LYS HB2 . 19860 1 808 . 1 1 61 61 LYS HB3 H 1 1.9030 0.02 . 2 . . . A 61 LYS HB3 . 19860 1 809 . 1 1 61 61 LYS HG2 H 1 1.3380 0.02 . 2 . . . A 61 LYS HG2 . 19860 1 810 . 1 1 61 61 LYS HG3 H 1 1.4800 0.02 . 2 . . . A 61 LYS HG3 . 19860 1 811 . 1 1 61 61 LYS HD2 H 1 1.7280 0.02 . 2 . . . A 61 LYS HD2 . 19860 1 812 . 1 1 61 61 LYS HD3 H 1 1.7280 0.02 . 2 . . . A 61 LYS HD3 . 19860 1 813 . 1 1 61 61 LYS HE2 H 1 3.0110 0.02 . 2 . . . A 61 LYS HE2 . 19860 1 814 . 1 1 61 61 LYS HE3 H 1 3.0110 0.02 . 2 . . . A 61 LYS HE3 . 19860 1 815 . 1 1 61 61 LYS C C 13 179.4440 0.3 . 1 . . . A 61 LYS C . 19860 1 816 . 1 1 61 61 LYS CA C 13 61.0600 0.3 . 1 . . . A 61 LYS CA . 19860 1 817 . 1 1 61 61 LYS CB C 13 32.1960 0.3 . 1 . . . A 61 LYS CB . 19860 1 818 . 1 1 61 61 LYS CG C 13 25.9570 0.3 . 1 . . . A 61 LYS CG . 19860 1 819 . 1 1 61 61 LYS CD C 13 29.8320 0.3 . 1 . . . A 61 LYS CD . 19860 1 820 . 1 1 61 61 LYS CE C 13 42.0330 0.3 . 1 . . . A 61 LYS CE . 19860 1 821 . 1 1 61 61 LYS N N 15 120.8240 0.2 . 1 . . . A 61 LYS N . 19860 1 822 . 1 1 62 62 ASP H H 1 8.7660 0.02 . 1 . . . A 62 ASP H . 19860 1 823 . 1 1 62 62 ASP HA H 1 4.4270 0.02 . 1 . . . A 62 ASP HA . 19860 1 824 . 1 1 62 62 ASP HB2 H 1 2.6550 0.02 . 2 . . . A 62 ASP HB2 . 19860 1 825 . 1 1 62 62 ASP HB3 H 1 2.7890 0.02 . 2 . . . A 62 ASP HB3 . 19860 1 826 . 1 1 62 62 ASP C C 13 178.4200 0.3 . 1 . . . A 62 ASP C . 19860 1 827 . 1 1 62 62 ASP CA C 13 57.8510 0.3 . 1 . . . A 62 ASP CA . 19860 1 828 . 1 1 62 62 ASP CB C 13 40.7800 0.3 . 1 . . . A 62 ASP CB . 19860 1 829 . 1 1 62 62 ASP N N 15 119.2310 0.2 . 1 . . . A 62 ASP N . 19860 1 830 . 1 1 63 63 LYS H H 1 7.3910 0.02 . 1 . . . A 63 LYS H . 19860 1 831 . 1 1 63 63 LYS HA H 1 4.0250 0.02 . 1 . . . A 63 LYS HA . 19860 1 832 . 1 1 63 63 LYS HB2 H 1 1.9080 0.02 . 2 . . . A 63 LYS HB2 . 19860 1 833 . 1 1 63 63 LYS HB3 H 1 2.0530 0.02 . 2 . . . A 63 LYS HB3 . 19860 1 834 . 1 1 63 63 LYS HG2 H 1 1.4640 0.02 . 2 . . . A 63 LYS HG2 . 19860 1 835 . 1 1 63 63 LYS HG3 H 1 1.7120 0.02 . 2 . . . A 63 LYS HG3 . 19860 1 836 . 1 1 63 63 LYS HD2 H 1 1.7810 0.02 . 2 . . . A 63 LYS HD2 . 19860 1 837 . 1 1 63 63 LYS HD3 H 1 1.7400 0.02 . 2 . . . A 63 LYS HD3 . 19860 1 838 . 1 1 63 63 LYS HE2 H 1 3.0180 0.02 . 2 . . . A 63 LYS HE2 . 19860 1 839 . 1 1 63 63 LYS HE3 H 1 3.0180 0.02 . 2 . . . A 63 LYS HE3 . 19860 1 840 . 1 1 63 63 LYS C C 13 178.8660 0.3 . 1 . . . A 63 LYS C . 19860 1 841 . 1 1 63 63 LYS CA C 13 59.6670 0.3 . 1 . . . A 63 LYS CA . 19860 1 842 . 1 1 63 63 LYS CB C 13 32.9290 0.3 . 1 . . . A 63 LYS CB . 19860 1 843 . 1 1 63 63 LYS CG C 13 25.7350 0.3 . 1 . . . A 63 LYS CG . 19860 1 844 . 1 1 63 63 LYS CD C 13 29.6690 0.3 . 1 . . . A 63 LYS CD . 19860 1 845 . 1 1 63 63 LYS CE C 13 42.4720 0.3 . 1 . . . A 63 LYS CE . 19860 1 846 . 1 1 63 63 LYS N N 15 119.6230 0.2 . 1 . . . A 63 LYS N . 19860 1 847 . 1 1 64 64 LEU H H 1 8.3570 0.02 . 1 . . . A 64 LEU H . 19860 1 848 . 1 1 64 64 LEU HA H 1 4.2160 0.02 . 1 . . . A 64 LEU HA . 19860 1 849 . 1 1 64 64 LEU HB2 H 1 1.5730 0.02 . 2 . . . A 64 LEU HB2 . 19860 1 850 . 1 1 64 64 LEU HB3 H 1 2.0850 0.02 . 2 . . . A 64 LEU HB3 . 19860 1 851 . 1 1 64 64 LEU HG H 1 1.9440 0.02 . 1 . . . A 64 LEU HG . 19860 1 852 . 1 1 64 64 LEU HD11 H 1 0.8410 0.02 . 2 . . . A 64 LEU HD11 . 19860 1 853 . 1 1 64 64 LEU HD12 H 1 0.8410 0.02 . 2 . . . A 64 LEU HD12 . 19860 1 854 . 1 1 64 64 LEU HD13 H 1 0.8410 0.02 . 2 . . . A 64 LEU HD13 . 19860 1 855 . 1 1 64 64 LEU HD21 H 1 0.9150 0.02 . 2 . . . A 64 LEU HD21 . 19860 1 856 . 1 1 64 64 LEU HD22 H 1 0.9150 0.02 . 2 . . . A 64 LEU HD22 . 19860 1 857 . 1 1 64 64 LEU HD23 H 1 0.9150 0.02 . 2 . . . A 64 LEU HD23 . 19860 1 858 . 1 1 64 64 LEU C C 13 178.7930 0.3 . 1 . . . A 64 LEU C . 19860 1 859 . 1 1 64 64 LEU CA C 13 58.0110 0.3 . 1 . . . A 64 LEU CA . 19860 1 860 . 1 1 64 64 LEU CB C 13 42.2510 0.3 . 1 . . . A 64 LEU CB . 19860 1 861 . 1 1 64 64 LEU CG C 13 26.9910 0.3 . 1 . . . A 64 LEU CG . 19860 1 862 . 1 1 64 64 LEU CD1 C 13 26.9920 0.3 . 2 . . . A 64 LEU CD1 . 19860 1 863 . 1 1 64 64 LEU CD2 C 13 24.4420 0.3 . 2 . . . A 64 LEU CD2 . 19860 1 864 . 1 1 64 64 LEU N N 15 118.8060 0.2 . 1 . . . A 64 LEU N . 19860 1 865 . 1 1 65 65 THR H H 1 8.3430 0.02 . 1 . . . A 65 THR H . 19860 1 866 . 1 1 65 65 THR HA H 1 3.9200 0.02 . 1 . . . A 65 THR HA . 19860 1 867 . 1 1 65 65 THR HB H 1 4.3990 0.02 . 1 . . . A 65 THR HB . 19860 1 868 . 1 1 65 65 THR HG21 H 1 1.2880 0.02 . 1 . . . A 65 THR HG21 . 19860 1 869 . 1 1 65 65 THR HG22 H 1 1.2880 0.02 . 1 . . . A 65 THR HG22 . 19860 1 870 . 1 1 65 65 THR HG23 H 1 1.2880 0.02 . 1 . . . A 65 THR HG23 . 19860 1 871 . 1 1 65 65 THR C C 13 176.4100 0.3 . 1 . . . A 65 THR C . 19860 1 872 . 1 1 65 65 THR CA C 13 66.7050 0.3 . 1 . . . A 65 THR CA . 19860 1 873 . 1 1 65 65 THR CB C 13 68.8760 0.3 . 1 . . . A 65 THR CB . 19860 1 874 . 1 1 65 65 THR CG2 C 13 21.5680 0.3 . 1 . . . A 65 THR CG2 . 19860 1 875 . 1 1 65 65 THR N N 15 115.1020 0.2 . 1 . . . A 65 THR N . 19860 1 876 . 1 1 66 66 ARG H H 1 7.8320 0.02 . 1 . . . A 66 ARG H . 19860 1 877 . 1 1 66 66 ARG HA H 1 4.0670 0.02 . 1 . . . A 66 ARG HA . 19860 1 878 . 1 1 66 66 ARG HB2 H 1 1.7650 0.02 . 2 . . . A 66 ARG HB2 . 19860 1 879 . 1 1 66 66 ARG HB3 H 1 1.7990 0.02 . 2 . . . A 66 ARG HB3 . 19860 1 880 . 1 1 66 66 ARG HG2 H 1 1.4800 0.02 . 2 . . . A 66 ARG HG2 . 19860 1 881 . 1 1 66 66 ARG HG3 H 1 1.5630 0.02 . 2 . . . A 66 ARG HG3 . 19860 1 882 . 1 1 66 66 ARG HD2 H 1 3.1320 0.02 . 2 . . . A 66 ARG HD2 . 19860 1 883 . 1 1 66 66 ARG HD3 H 1 3.0940 0.02 . 2 . . . A 66 ARG HD3 . 19860 1 884 . 1 1 66 66 ARG HE H 1 7.3620 0.02 . 1 . . . A 66 ARG HE . 19860 1 885 . 1 1 66 66 ARG C C 13 177.9880 0.3 . 1 . . . A 66 ARG C . 19860 1 886 . 1 1 66 66 ARG CA C 13 58.9610 0.3 . 1 . . . A 66 ARG CA . 19860 1 887 . 1 1 66 66 ARG CB C 13 30.3020 0.3 . 1 . . . A 66 ARG CB . 19860 1 888 . 1 1 66 66 ARG CG C 13 27.5300 0.3 . 1 . . . A 66 ARG CG . 19860 1 889 . 1 1 66 66 ARG CD C 13 43.5700 0.3 . 1 . . . A 66 ARG CD . 19860 1 890 . 1 1 66 66 ARG N N 15 119.4050 0.2 . 1 . . . A 66 ARG N . 19860 1 891 . 1 1 66 66 ARG NE N 15 85.0700 0.2 . 1 . . . A 66 ARG NE . 19860 1 892 . 1 1 67 67 PHE H H 1 8.1900 0.02 . 1 . . . A 67 PHE H . 19860 1 893 . 1 1 67 67 PHE HA H 1 4.3230 0.02 . 1 . . . A 67 PHE HA . 19860 1 894 . 1 1 67 67 PHE HB2 H 1 2.6130 0.02 . 2 . . . A 67 PHE HB2 . 19860 1 895 . 1 1 67 67 PHE HB3 H 1 2.8730 0.02 . 2 . . . A 67 PHE HB3 . 19860 1 896 . 1 1 67 67 PHE HD1 H 1 6.8110 0.02 . 3 . . . A 67 PHE HD1 . 19860 1 897 . 1 1 67 67 PHE HD2 H 1 6.8110 0.02 . 3 . . . A 67 PHE HD2 . 19860 1 898 . 1 1 67 67 PHE HE1 H 1 7.1950 0.02 . 3 . . . A 67 PHE HE1 . 19860 1 899 . 1 1 67 67 PHE HE2 H 1 7.1950 0.02 . 3 . . . A 67 PHE HE2 . 19860 1 900 . 1 1 67 67 PHE HZ H 1 7.2420 0.02 . 1 . . . A 67 PHE HZ . 19860 1 901 . 1 1 67 67 PHE C C 13 177.1410 0.3 . 1 . . . A 67 PHE C . 19860 1 902 . 1 1 67 67 PHE CA C 13 59.9890 0.3 . 1 . . . A 67 PHE CA . 19860 1 903 . 1 1 67 67 PHE CB C 13 39.2690 0.3 . 1 . . . A 67 PHE CB . 19860 1 904 . 1 1 67 67 PHE CD1 C 13 131.1280 0.3 . 3 . . . A 67 PHE CD1 . 19860 1 905 . 1 1 67 67 PHE CD2 C 13 131.1280 0.3 . 3 . . . A 67 PHE CD2 . 19860 1 906 . 1 1 67 67 PHE CE1 C 13 131.1910 0.3 . 3 . . . A 67 PHE CE1 . 19860 1 907 . 1 1 67 67 PHE CE2 C 13 131.1910 0.3 . 3 . . . A 67 PHE CE2 . 19860 1 908 . 1 1 67 67 PHE CZ C 13 129.8100 0.3 . 1 . . . A 67 PHE CZ . 19860 1 909 . 1 1 67 67 PHE N N 15 117.3040 0.2 . 1 . . . A 67 PHE N . 19860 1 910 . 1 1 68 68 PHE H H 1 8.0870 0.02 . 1 . . . A 68 PHE H . 19860 1 911 . 1 1 68 68 PHE HA H 1 4.6960 0.02 . 1 . . . A 68 PHE HA . 19860 1 912 . 1 1 68 68 PHE HB2 H 1 3.3260 0.02 . 2 . . . A 68 PHE HB2 . 19860 1 913 . 1 1 68 68 PHE HB3 H 1 2.9870 0.02 . 2 . . . A 68 PHE HB3 . 19860 1 914 . 1 1 68 68 PHE HD1 H 1 7.4620 0.02 . 3 . . . A 68 PHE HD1 . 19860 1 915 . 1 1 68 68 PHE HD2 H 1 7.4620 0.02 . 3 . . . A 68 PHE HD2 . 19860 1 916 . 1 1 68 68 PHE HE1 H 1 7.3500 0.02 . 3 . . . A 68 PHE HE1 . 19860 1 917 . 1 1 68 68 PHE HE2 H 1 7.3500 0.02 . 3 . . . A 68 PHE HE2 . 19860 1 918 . 1 1 68 68 PHE HZ H 1 7.4280 0.02 . 1 . . . A 68 PHE HZ . 19860 1 919 . 1 1 68 68 PHE C C 13 175.9690 0.3 . 1 . . . A 68 PHE C . 19860 1 920 . 1 1 68 68 PHE CA C 13 59.1120 0.3 . 1 . . . A 68 PHE CA . 19860 1 921 . 1 1 68 68 PHE CB C 13 40.1000 0.3 . 1 . . . A 68 PHE CB . 19860 1 922 . 1 1 68 68 PHE CD1 C 13 132.2910 0.3 . 3 . . . A 68 PHE CD1 . 19860 1 923 . 1 1 68 68 PHE CD2 C 13 132.2910 0.3 . 3 . . . A 68 PHE CD2 . 19860 1 924 . 1 1 68 68 PHE CE1 C 13 131.1280 0.3 . 3 . . . A 68 PHE CE1 . 19860 1 925 . 1 1 68 68 PHE CE2 C 13 131.1280 0.3 . 3 . . . A 68 PHE CE2 . 19860 1 926 . 1 1 68 68 PHE CZ C 13 130.3800 0.3 . 1 . . . A 68 PHE CZ . 19860 1 927 . 1 1 68 68 PHE N N 15 114.2970 0.2 . 1 . . . A 68 PHE N . 19860 1 928 . 1 1 69 69 LEU H H 1 7.8230 0.02 . 1 . . . A 69 LEU H . 19860 1 929 . 1 1 69 69 LEU HA H 1 4.4760 0.02 . 1 . . . A 69 LEU HA . 19860 1 930 . 1 1 69 69 LEU HB2 H 1 1.6740 0.02 . 2 . . . A 69 LEU HB2 . 19860 1 931 . 1 1 69 69 LEU HB3 H 1 1.9730 0.02 . 2 . . . A 69 LEU HB3 . 19860 1 932 . 1 1 69 69 LEU HG H 1 1.6700 0.02 . 1 . . . A 69 LEU HG . 19860 1 933 . 1 1 69 69 LEU HD11 H 1 0.9430 0.02 . 2 . . . A 69 LEU HD11 . 19860 1 934 . 1 1 69 69 LEU HD12 H 1 0.9430 0.02 . 2 . . . A 69 LEU HD12 . 19860 1 935 . 1 1 69 69 LEU HD13 H 1 0.9430 0.02 . 2 . . . A 69 LEU HD13 . 19860 1 936 . 1 1 69 69 LEU HD21 H 1 0.9670 0.02 . 2 . . . A 69 LEU HD21 . 19860 1 937 . 1 1 69 69 LEU HD22 H 1 0.9670 0.02 . 2 . . . A 69 LEU HD22 . 19860 1 938 . 1 1 69 69 LEU HD23 H 1 0.9670 0.02 . 2 . . . A 69 LEU HD23 . 19860 1 939 . 1 1 69 69 LEU C C 13 177.4250 0.3 . 1 . . . A 69 LEU C . 19860 1 940 . 1 1 69 69 LEU CA C 13 55.8050 0.3 . 1 . . . A 69 LEU CA . 19860 1 941 . 1 1 69 69 LEU CB C 13 41.3990 0.3 . 1 . . . A 69 LEU CB . 19860 1 942 . 1 1 69 69 LEU CG C 13 27.0000 0.3 . 1 . . . A 69 LEU CG . 19860 1 943 . 1 1 69 69 LEU CD1 C 13 23.6760 0.3 . 2 . . . A 69 LEU CD1 . 19860 1 944 . 1 1 69 69 LEU CD2 C 13 25.2490 0.3 . 2 . . . A 69 LEU CD2 . 19860 1 945 . 1 1 69 69 LEU N N 15 119.5940 0.2 . 1 . . . A 69 LEU N . 19860 1 946 . 1 1 70 70 LEU H H 1 7.9050 0.02 . 1 . . . A 70 LEU H . 19860 1 947 . 1 1 70 70 LEU HA H 1 4.3410 0.02 . 1 . . . A 70 LEU HA . 19860 1 948 . 1 1 70 70 LEU HB2 H 1 1.5830 0.02 . 2 . . . A 70 LEU HB2 . 19860 1 949 . 1 1 70 70 LEU HB3 H 1 1.7100 0.02 . 2 . . . A 70 LEU HB3 . 19860 1 950 . 1 1 70 70 LEU HG H 1 1.6700 0.02 . 1 . . . A 70 LEU HG . 19860 1 951 . 1 1 70 70 LEU HD11 H 1 0.8630 0.02 . 2 . . . A 70 LEU HD11 . 19860 1 952 . 1 1 70 70 LEU HD12 H 1 0.8630 0.02 . 2 . . . A 70 LEU HD12 . 19860 1 953 . 1 1 70 70 LEU HD13 H 1 0.8630 0.02 . 2 . . . A 70 LEU HD13 . 19860 1 954 . 1 1 70 70 LEU HD21 H 1 0.9330 0.02 . 2 . . . A 70 LEU HD21 . 19860 1 955 . 1 1 70 70 LEU HD22 H 1 0.9330 0.02 . 2 . . . A 70 LEU HD22 . 19860 1 956 . 1 1 70 70 LEU HD23 H 1 0.9330 0.02 . 2 . . . A 70 LEU HD23 . 19860 1 957 . 1 1 70 70 LEU C C 13 177.4430 0.3 . 1 . . . A 70 LEU C . 19860 1 958 . 1 1 70 70 LEU CA C 13 55.2880 0.3 . 1 . . . A 70 LEU CA . 19860 1 959 . 1 1 70 70 LEU CB C 13 42.2050 0.3 . 1 . . . A 70 LEU CB . 19860 1 960 . 1 1 70 70 LEU CG C 13 26.8000 0.3 . 1 . . . A 70 LEU CG . 19860 1 961 . 1 1 70 70 LEU CD1 C 13 23.1980 0.3 . 2 . . . A 70 LEU CD1 . 19860 1 962 . 1 1 70 70 LEU CD2 C 13 25.3020 0.3 . 2 . . . A 70 LEU CD2 . 19860 1 963 . 1 1 70 70 LEU N N 15 119.7230 0.2 . 1 . . . A 70 LEU N . 19860 1 964 . 1 1 71 71 GLU H H 1 8.2440 0.02 . 1 . . . A 71 GLU H . 19860 1 965 . 1 1 71 71 GLU HA H 1 4.2000 0.02 . 1 . . . A 71 GLU HA . 19860 1 966 . 1 1 71 71 GLU HB2 H 1 1.9070 0.02 . 2 . . . A 71 GLU HB2 . 19860 1 967 . 1 1 71 71 GLU HB3 H 1 1.9070 0.02 . 2 . . . A 71 GLU HB3 . 19860 1 968 . 1 1 71 71 GLU HG2 H 1 2.1470 0.02 . 2 . . . A 71 GLU HG2 . 19860 1 969 . 1 1 71 71 GLU HG3 H 1 2.2180 0.02 . 2 . . . A 71 GLU HG3 . 19860 1 970 . 1 1 71 71 GLU C C 13 176.2500 0.3 . 1 . . . A 71 GLU C . 19860 1 971 . 1 1 71 71 GLU CA C 13 56.6090 0.3 . 1 . . . A 71 GLU CA . 19860 1 972 . 1 1 71 71 GLU CB C 13 30.4750 0.3 . 1 . . . A 71 GLU CB . 19860 1 973 . 1 1 71 71 GLU CG C 13 36.2900 0.3 . 1 . . . A 71 GLU CG . 19860 1 974 . 1 1 71 71 GLU N N 15 120.5330 0.2 . 1 . . . A 71 GLU N . 19860 1 975 . 1 1 72 72 HIS H H 1 8.4030 0.02 . 1 . . . A 72 HIS H . 19860 1 976 . 1 1 72 72 HIS HA H 1 4.6230 0.02 . 1 . . . A 72 HIS HA . 19860 1 977 . 1 1 72 72 HIS HB2 H 1 3.0740 0.02 . 2 . . . A 72 HIS HB2 . 19860 1 978 . 1 1 72 72 HIS HB3 H 1 3.1240 0.02 . 2 . . . A 72 HIS HB3 . 19860 1 979 . 1 1 72 72 HIS C C 13 174.6450 0.3 . 1 . . . A 72 HIS C . 19860 1 980 . 1 1 72 72 HIS CA C 13 55.7370 0.3 . 1 . . . A 72 HIS CA . 19860 1 981 . 1 1 72 72 HIS CB C 13 29.9010 0.3 . 1 . . . A 72 HIS CB . 19860 1 982 . 1 1 72 72 HIS N N 15 119.7830 0.2 . 1 . . . A 72 HIS N . 19860 1 983 . 1 1 73 73 HIS H H 1 8.5390 0.02 . 1 . . . A 73 HIS H . 19860 1 984 . 1 1 73 73 HIS HA H 1 4.6250 0.02 . 1 . . . A 73 HIS HA . 19860 1 985 . 1 1 73 73 HIS HB2 H 1 3.0330 0.02 . 2 . . . A 73 HIS HB2 . 19860 1 986 . 1 1 73 73 HIS HB3 H 1 3.1660 0.02 . 2 . . . A 73 HIS HB3 . 19860 1 987 . 1 1 73 73 HIS C C 13 174.5520 0.3 . 1 . . . A 73 HIS C . 19860 1 988 . 1 1 73 73 HIS CA C 13 55.7540 0.3 . 1 . . . A 73 HIS CA . 19860 1 989 . 1 1 73 73 HIS CB C 13 29.9760 0.3 . 1 . . . A 73 HIS CB . 19860 1 990 . 1 1 73 73 HIS N N 15 120.1990 0.2 . 1 . . . A 73 HIS N . 19860 1 991 . 1 1 74 74 HIS H H 1 8.6810 0.02 . 1 . . . A 74 HIS H . 19860 1 992 . 1 1 74 74 HIS HA H 1 4.6550 0.02 . 1 . . . A 74 HIS HA . 19860 1 993 . 1 1 74 74 HIS HB2 H 1 3.0820 0.02 . 2 . . . A 74 HIS HB2 . 19860 1 994 . 1 1 74 74 HIS HB3 H 1 3.1640 0.02 . 2 . . . A 74 HIS HB3 . 19860 1 995 . 1 1 74 74 HIS C C 13 174.6380 0.3 . 1 . . . A 74 HIS C . 19860 1 996 . 1 1 74 74 HIS CA C 13 55.7710 0.3 . 1 . . . A 74 HIS CA . 19860 1 997 . 1 1 74 74 HIS CB C 13 29.9160 0.3 . 1 . . . A 74 HIS CB . 19860 1 998 . 1 1 74 74 HIS N N 15 120.4570 0.2 . 1 . . . A 74 HIS N . 19860 1 999 . 1 1 75 75 HIS H H 1 8.7550 0.02 . 1 . . . A 75 HIS H . 19860 1 1000 . 1 1 75 75 HIS HA H 1 4.6710 0.02 . 1 . . . A 75 HIS HA . 19860 1 1001 . 1 1 75 75 HIS HB2 H 1 3.1260 0.02 . 2 . . . A 75 HIS HB2 . 19860 1 1002 . 1 1 75 75 HIS HB3 H 1 3.1730 0.02 . 2 . . . A 75 HIS HB3 . 19860 1 1003 . 1 1 75 75 HIS C C 13 174.5250 0.3 . 1 . . . A 75 HIS C . 19860 1 1004 . 1 1 75 75 HIS CA C 13 55.7580 0.3 . 1 . . . A 75 HIS CA . 19860 1 1005 . 1 1 75 75 HIS CB C 13 29.9340 0.3 . 1 . . . A 75 HIS CB . 19860 1 1006 . 1 1 75 75 HIS N N 15 120.7820 0.2 . 1 . . . A 75 HIS N . 19860 1 1007 . 1 1 76 76 HIS H H 1 8.6930 0.02 . 1 . . . A 76 HIS H . 19860 1 1008 . 1 1 76 76 HIS HA H 1 4.6660 0.02 . 1 . . . A 76 HIS HA . 19860 1 1009 . 1 1 76 76 HIS HB2 H 1 3.2120 0.02 . 2 . . . A 76 HIS HB2 . 19860 1 1010 . 1 1 76 76 HIS HB3 H 1 3.2120 0.02 . 2 . . . A 76 HIS HB3 . 19860 1 1011 . 1 1 76 76 HIS C C 13 173.8730 0.3 . 1 . . . A 76 HIS C . 19860 1 1012 . 1 1 76 76 HIS CA C 13 55.9210 0.3 . 1 . . . A 76 HIS CA . 19860 1 1013 . 1 1 76 76 HIS CB C 13 29.8480 0.3 . 1 . . . A 76 HIS CB . 19860 1 1014 . 1 1 76 76 HIS N N 15 120.7370 0.2 . 1 . . . A 76 HIS N . 19860 1 1015 . 1 1 77 77 HIS H H 1 8.3370 0.02 . 1 . . . A 77 HIS H . 19860 1 1016 . 1 1 77 77 HIS HA H 1 4.4830 0.02 . 1 . . . A 77 HIS HA . 19860 1 1017 . 1 1 77 77 HIS HB2 H 1 3.1440 0.02 . 2 . . . A 77 HIS HB2 . 19860 1 1018 . 1 1 77 77 HIS HB3 H 1 3.2630 0.02 . 2 . . . A 77 HIS HB3 . 19860 1 1019 . 1 1 77 77 HIS C C 13 179.0700 0.3 . 1 . . . A 77 HIS C . 19860 1 1020 . 1 1 77 77 HIS CA C 13 57.2560 0.3 . 1 . . . A 77 HIS CA . 19860 1 1021 . 1 1 77 77 HIS CB C 13 29.9740 0.3 . 1 . . . A 77 HIS CB . 19860 1 1022 . 1 1 77 77 HIS N N 15 125.4660 0.2 . 1 . . . A 77 HIS N . 19860 1 stop_ save_