data_25068 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25068 _Entry.Title ; NMR Structure and 1H, 13C and 15N Chemical Shift Assignments for High mobility group protein from Plasmodium falciparum 3D7. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-07-02 _Entry.Accession_date 2014-07-02 _Entry.Last_release_date 2014-07-21 _Entry.Original_release_date 2014-07-21 _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 'NMR, 10 STRUCTURES' _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 Changyan Tang . . . 25068 2 'Ravi P' Barnwal . . . 25068 3 Gabriele Varani . . . 25068 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 SSGCID 'Seattle Structural Genomics Center for Infectious Disease' . 25068 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Plasmodium falciparum' . 25068 'NMR Structure' . 25068 pathogenesis . 25068 virulence . 25068 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25068 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 497 25068 '13C chemical shifts' 351 25068 '15N chemical shifts' 80 25068 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2014-07-21 2014-07-02 original author . 25068 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MRC 'BMRB Entry Tracking System' 25068 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 25068 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'NMR Structure and 1H, 13C and 15N Chemical Shift Assignments for High mobility group protein from Plasmodium falciparum 3D7.' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'To be Published' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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 Changyan Tang . . . 25068 1 2 'Ravi P' Barnwal . . . 25068 1 3 Gabriele Varani . . . 25068 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25068 _Assembly.ID 1 _Assembly.Name 'High mobility group protein from Plasmodium falciparum 3D7' _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 entity 1 $entity A . yes native no no . . . 25068 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25068 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _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 ; MAHHHHHHMKKKDPLAPKRA LSAYMFYVKDKRLEIIKEKP ELAKDVAQVGKLIGEAWGQL SPAQKAPYEKKAQLDKVRYS KEIEEYRKKNQE ; _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 92 _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 10861.796 _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 2MRC . "Nmr Structure And 1h, 13c And 15n Chemical Shift Assignments For High Mobility Group Protein From Plasmodium Falciparum 3d7" . . . . . 100.00 92 100.00 100.00 1.38e-57 . . . . 25068 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 25068 1 2 . ALA . 25068 1 3 . HIS . 25068 1 4 . HIS . 25068 1 5 . HIS . 25068 1 6 . HIS . 25068 1 7 . HIS . 25068 1 8 . HIS . 25068 1 9 . MET . 25068 1 10 . LYS . 25068 1 11 . LYS . 25068 1 12 . LYS . 25068 1 13 . ASP . 25068 1 14 . PRO . 25068 1 15 . LEU . 25068 1 16 . ALA . 25068 1 17 . PRO . 25068 1 18 . LYS . 25068 1 19 . ARG . 25068 1 20 . ALA . 25068 1 21 . LEU . 25068 1 22 . SER . 25068 1 23 . ALA . 25068 1 24 . TYR . 25068 1 25 . MET . 25068 1 26 . PHE . 25068 1 27 . TYR . 25068 1 28 . VAL . 25068 1 29 . LYS . 25068 1 30 . ASP . 25068 1 31 . LYS . 25068 1 32 . ARG . 25068 1 33 . LEU . 25068 1 34 . GLU . 25068 1 35 . ILE . 25068 1 36 . ILE . 25068 1 37 . LYS . 25068 1 38 . GLU . 25068 1 39 . LYS . 25068 1 40 . PRO . 25068 1 41 . GLU . 25068 1 42 . LEU . 25068 1 43 . ALA . 25068 1 44 . LYS . 25068 1 45 . ASP . 25068 1 46 . VAL . 25068 1 47 . ALA . 25068 1 48 . GLN . 25068 1 49 . VAL . 25068 1 50 . GLY . 25068 1 51 . LYS . 25068 1 52 . LEU . 25068 1 53 . ILE . 25068 1 54 . GLY . 25068 1 55 . GLU . 25068 1 56 . ALA . 25068 1 57 . TRP . 25068 1 58 . GLY . 25068 1 59 . GLN . 25068 1 60 . LEU . 25068 1 61 . SER . 25068 1 62 . PRO . 25068 1 63 . ALA . 25068 1 64 . GLN . 25068 1 65 . LYS . 25068 1 66 . ALA . 25068 1 67 . PRO . 25068 1 68 . TYR . 25068 1 69 . GLU . 25068 1 70 . LYS . 25068 1 71 . LYS . 25068 1 72 . ALA . 25068 1 73 . GLN . 25068 1 74 . LEU . 25068 1 75 . ASP . 25068 1 76 . LYS . 25068 1 77 . VAL . 25068 1 78 . ARG . 25068 1 79 . TYR . 25068 1 80 . SER . 25068 1 81 . LYS . 25068 1 82 . GLU . 25068 1 83 . ILE . 25068 1 84 . GLU . 25068 1 85 . GLU . 25068 1 86 . TYR . 25068 1 87 . ARG . 25068 1 88 . LYS . 25068 1 89 . LYS . 25068 1 90 . ASN . 25068 1 91 . GLN . 25068 1 92 . GLU . 25068 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 25068 1 . ALA 2 2 25068 1 . HIS 3 3 25068 1 . HIS 4 4 25068 1 . HIS 5 5 25068 1 . HIS 6 6 25068 1 . HIS 7 7 25068 1 . HIS 8 8 25068 1 . MET 9 9 25068 1 . LYS 10 10 25068 1 . LYS 11 11 25068 1 . LYS 12 12 25068 1 . ASP 13 13 25068 1 . PRO 14 14 25068 1 . LEU 15 15 25068 1 . ALA 16 16 25068 1 . PRO 17 17 25068 1 . LYS 18 18 25068 1 . ARG 19 19 25068 1 . ALA 20 20 25068 1 . LEU 21 21 25068 1 . SER 22 22 25068 1 . ALA 23 23 25068 1 . TYR 24 24 25068 1 . MET 25 25 25068 1 . PHE 26 26 25068 1 . TYR 27 27 25068 1 . VAL 28 28 25068 1 . LYS 29 29 25068 1 . ASP 30 30 25068 1 . LYS 31 31 25068 1 . ARG 32 32 25068 1 . LEU 33 33 25068 1 . GLU 34 34 25068 1 . ILE 35 35 25068 1 . ILE 36 36 25068 1 . LYS 37 37 25068 1 . GLU 38 38 25068 1 . LYS 39 39 25068 1 . PRO 40 40 25068 1 . GLU 41 41 25068 1 . LEU 42 42 25068 1 . ALA 43 43 25068 1 . LYS 44 44 25068 1 . ASP 45 45 25068 1 . VAL 46 46 25068 1 . ALA 47 47 25068 1 . GLN 48 48 25068 1 . VAL 49 49 25068 1 . GLY 50 50 25068 1 . LYS 51 51 25068 1 . LEU 52 52 25068 1 . ILE 53 53 25068 1 . GLY 54 54 25068 1 . GLU 55 55 25068 1 . ALA 56 56 25068 1 . TRP 57 57 25068 1 . GLY 58 58 25068 1 . GLN 59 59 25068 1 . LEU 60 60 25068 1 . SER 61 61 25068 1 . PRO 62 62 25068 1 . ALA 63 63 25068 1 . GLN 64 64 25068 1 . LYS 65 65 25068 1 . ALA 66 66 25068 1 . PRO 67 67 25068 1 . TYR 68 68 25068 1 . GLU 69 69 25068 1 . LYS 70 70 25068 1 . LYS 71 71 25068 1 . ALA 72 72 25068 1 . GLN 73 73 25068 1 . LEU 74 74 25068 1 . ASP 75 75 25068 1 . LYS 76 76 25068 1 . VAL 77 77 25068 1 . ARG 78 78 25068 1 . TYR 79 79 25068 1 . SER 80 80 25068 1 . LYS 81 81 25068 1 . GLU 82 82 25068 1 . ILE 83 83 25068 1 . GLU 84 84 25068 1 . GLU 85 85 25068 1 . TYR 86 86 25068 1 . ARG 87 87 25068 1 . LYS 88 88 25068 1 . LYS 89 89 25068 1 . ASN 90 90 25068 1 . GLN 91 91 25068 1 . GLU 92 92 25068 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 25068 _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 $entity . 36329 organism . 'Plasmodium falciparum 3D7' apicomplexans . . Eukaryota . Plasmodium falciparum 3D7 . . . . . . . . . . . . . . . . . 'High mobility group protein from Plasmodium falciparum 3D7.' . . 25068 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 25068 _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 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . 'AVA vector' . . . . . . 25068 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25068 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 'High mobility group protein' '[U-95% 13C; U-95% 15N]' . . 1 $entity . . 0.9 . . mM . . . . 25068 1 2 H2O 'natural abundance' . . . . . . 93 . . % . . . . 25068 1 3 D20 'natural abundance' . . . . . . 7 . . % . . . . 25068 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 25068 _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 temperature 298 . K 25068 1 pH 7.0 . pH 25068 1 pressure 1 . atm 25068 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25068 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25068 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25068 1 processing 25068 1 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 25068 _Software.ID 2 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 25068 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25068 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25068 _Software.ID 3 _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' . . 25068 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25068 3 refinement 25068 3 stop_ save_ save_CCPNMR _Software.Sf_category software _Software.Sf_framecode CCPNMR _Software.Entry_ID 25068 _Software.ID 4 _Software.Name CCPNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 25068 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25068 4 'chemical shift assignment' 25068 4 'peak picking' 25068 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25068 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25068 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 25068 _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 AMX . 500 . . . 25068 1 2 spectrometer_2 Bruker Avance . 800 . . . 25068 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 25068 _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 . . . . . . . . . . . . . . . . 25068 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25068 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25068 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25068 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25068 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25068 1 7 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25068 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25068 1 9 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25068 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25068 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25068 1 12 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25068 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 25068 _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 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25068 1 C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 25068 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25068 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 25068 _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' . . . 25068 1 3 '3D CBCA(CO)NH' . . . 25068 1 4 '3D HNCACB' . . . 25068 1 5 '3D HNCO' . . . 25068 1 6 '3D HBHA(CO)NH' . . . 25068 1 7 '3D H(CCO)NH' . . . 25068 1 8 '3D HCCH-TOCSY' . . . 25068 1 9 '3D C(CO)NH' . . . 25068 1 12 '3D HNHA' . . . 25068 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 4 $CCPNMR . . 25068 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 14 14 PRO HA H 1 4.322 0.05 . . . . . A 14 PRO HA . 25068 1 2 . 1 1 14 14 PRO HB2 H 1 1.891 0.05 . . . . . A 14 PRO HB2 . 25068 1 3 . 1 1 14 14 PRO HB3 H 1 2.227 0.05 . . . . . A 14 PRO HB3 . 25068 1 4 . 1 1 14 14 PRO HG2 H 1 1.932 0.05 . . . . . A 14 PRO HG2 . 25068 1 5 . 1 1 14 14 PRO HD3 H 1 3.815 0.05 . . . . . A 14 PRO HD3 . 25068 1 6 . 1 1 14 14 PRO C C 13 176.783 0.15 . . . . . A 14 PRO C . 25068 1 7 . 1 1 14 14 PRO CA C 13 64.643 0.15 . . . . . A 14 PRO CA . 25068 1 8 . 1 1 14 14 PRO CB C 13 33.114 0.15 . . . . . A 14 PRO CB . 25068 1 9 . 1 1 14 14 PRO CG C 13 28.128 0.15 . . . . . A 14 PRO CG . 25068 1 10 . 1 1 14 14 PRO CD C 13 51.984 0.15 . . . . . A 14 PRO CD . 25068 1 11 . 1 1 15 15 LEU H H 1 8.189 0.05 . . . . . A 15 LEU H . 25068 1 12 . 1 1 15 15 LEU HA H 1 4.238 0.05 . . . . . A 15 LEU HA . 25068 1 13 . 1 1 15 15 LEU HB2 H 1 1.521 0.05 . . . . . A 15 LEU HB2 . 25068 1 14 . 1 1 15 15 LEU HB3 H 1 1.711 0.05 . . . . . A 15 LEU HB3 . 25068 1 15 . 1 1 15 15 LEU HG H 1 0.852 0.05 . . . . . A 15 LEU HG . 25068 1 16 . 1 1 15 15 LEU HD11 H 1 0.753 0.05 . . . . . A 15 LEU HD11 . 25068 1 17 . 1 1 15 15 LEU HD12 H 1 0.753 0.05 . . . . . A 15 LEU HD12 . 25068 1 18 . 1 1 15 15 LEU HD13 H 1 0.753 0.05 . . . . . A 15 LEU HD13 . 25068 1 19 . 1 1 15 15 LEU HD21 H 1 0.856 0.05 . . . . . A 15 LEU HD21 . 25068 1 20 . 1 1 15 15 LEU HD22 H 1 0.856 0.05 . . . . . A 15 LEU HD22 . 25068 1 21 . 1 1 15 15 LEU HD23 H 1 0.856 0.05 . . . . . A 15 LEU HD23 . 25068 1 22 . 1 1 15 15 LEU C C 13 176.361 0.15 . . . . . A 15 LEU C . 25068 1 23 . 1 1 15 15 LEU CA C 13 55.395 0.15 . . . . . A 15 LEU CA . 25068 1 24 . 1 1 15 15 LEU CB C 13 42.619 0.15 . . . . . A 15 LEU CB . 25068 1 25 . 1 1 15 15 LEU CG C 13 28.036 0.15 . . . . . A 15 LEU CG . 25068 1 26 . 1 1 15 15 LEU CD1 C 13 23.927 0.15 . . . . . A 15 LEU CD1 . 25068 1 27 . 1 1 15 15 LEU CD2 C 13 25.892 0.15 . . . . . A 15 LEU CD2 . 25068 1 28 . 1 1 15 15 LEU N N 15 120.158 0.15 . . . . . A 15 LEU N . 25068 1 29 . 1 1 16 16 ALA H H 1 7.500 0.05 . . . . . A 16 ALA H . 25068 1 30 . 1 1 16 16 ALA HA H 1 3.496 0.05 . . . . . A 16 ALA HA . 25068 1 31 . 1 1 16 16 ALA HB1 H 1 1.029 0.05 . . . . . A 16 ALA HB1 . 25068 1 32 . 1 1 16 16 ALA HB2 H 1 1.029 0.05 . . . . . A 16 ALA HB2 . 25068 1 33 . 1 1 16 16 ALA HB3 H 1 1.029 0.05 . . . . . A 16 ALA HB3 . 25068 1 34 . 1 1 16 16 ALA C C 13 175.124 0.15 . . . . . A 16 ALA C . 25068 1 35 . 1 1 16 16 ALA CA C 13 51.457 0.15 . . . . . A 16 ALA CA . 25068 1 36 . 1 1 16 16 ALA CB C 13 18.105 0.15 . . . . . A 16 ALA CB . 25068 1 37 . 1 1 16 16 ALA N N 15 124.269 0.15 . . . . . A 16 ALA N . 25068 1 38 . 1 1 17 17 PRO HA H 1 4.157 0.05 . . . . . A 17 PRO HA . 25068 1 39 . 1 1 17 17 PRO HB2 H 1 1.493 0.05 . . . . . A 17 PRO HB2 . 25068 1 40 . 1 1 17 17 PRO HB3 H 1 2.283 0.05 . . . . . A 17 PRO HB3 . 25068 1 41 . 1 1 17 17 PRO HG2 H 1 1.354 0.05 . . . . . A 17 PRO HG2 . 25068 1 42 . 1 1 17 17 PRO HG3 H 1 1.499 0.05 . . . . . A 17 PRO HG3 . 25068 1 43 . 1 1 17 17 PRO HD2 H 1 2.767 0.05 . . . . . A 17 PRO HD2 . 25068 1 44 . 1 1 17 17 PRO HD3 H 1 2.846 0.05 . . . . . A 17 PRO HD3 . 25068 1 45 . 1 1 17 17 PRO C C 13 176.396 0.15 . . . . . A 17 PRO C . 25068 1 46 . 1 1 17 17 PRO CA C 13 63.588 0.15 . . . . . A 17 PRO CA . 25068 1 47 . 1 1 17 17 PRO CB C 13 32.850 0.15 . . . . . A 17 PRO CB . 25068 1 48 . 1 1 17 17 PRO CG C 13 28.626 0.15 . . . . . A 17 PRO CG . 25068 1 49 . 1 1 17 17 PRO CD C 13 50.654 0.15 . . . . . A 17 PRO CD . 25068 1 50 . 1 1 18 18 LYS H H 1 8.886 0.05 . . . . . A 18 LYS H . 25068 1 51 . 1 1 18 18 LYS HA H 1 4.147 0.05 . . . . . A 18 LYS HA . 25068 1 52 . 1 1 18 18 LYS HB2 H 1 1.779 0.05 . . . . . A 18 LYS HB2 . 25068 1 53 . 1 1 18 18 LYS HB3 H 1 1.646 0.05 . . . . . A 18 LYS HB3 . 25068 1 54 . 1 1 18 18 LYS HG3 H 1 1.438 0.05 . . . . . A 18 LYS HG3 . 25068 1 55 . 1 1 18 18 LYS HD3 H 1 1.578 0.05 . . . . . A 18 LYS HD3 . 25068 1 56 . 1 1 18 18 LYS HE3 H 1 2.864 0.05 . . . . . A 18 LYS HE3 . 25068 1 57 . 1 1 18 18 LYS C C 13 177.543 0.15 . . . . . A 18 LYS C . 25068 1 58 . 1 1 18 18 LYS CA C 13 57.081 0.15 . . . . . A 18 LYS CA . 25068 1 59 . 1 1 18 18 LYS CB C 13 33.573 0.15 . . . . . A 18 LYS CB . 25068 1 60 . 1 1 18 18 LYS CG C 13 25.774 0.15 . . . . . A 18 LYS CG . 25068 1 61 . 1 1 18 18 LYS CD C 13 29.804 0.15 . . . . . A 18 LYS CD . 25068 1 62 . 1 1 18 18 LYS CE C 13 42.921 0.15 . . . . . A 18 LYS CE . 25068 1 63 . 1 1 18 18 LYS N N 15 124.070 0.15 . . . . . A 18 LYS N . 25068 1 64 . 1 1 19 19 ARG H H 1 8.286 0.05 . . . . . A 19 ARG H . 25068 1 65 . 1 1 19 19 ARG HA H 1 3.437 0.05 . . . . . A 19 ARG HA . 25068 1 66 . 1 1 19 19 ARG HB2 H 1 1.520 0.05 . . . . . A 19 ARG HB2 . 25068 1 67 . 1 1 19 19 ARG HG3 H 1 1.443 0.05 . . . . . A 19 ARG HG3 . 25068 1 68 . 1 1 19 19 ARG HD2 H 1 2.989 0.05 . . . . . A 19 ARG HD2 . 25068 1 69 . 1 1 19 19 ARG HD3 H 1 3.079 0.05 . . . . . A 19 ARG HD3 . 25068 1 70 . 1 1 19 19 ARG C C 13 175.409 0.15 . . . . . A 19 ARG C . 25068 1 71 . 1 1 19 19 ARG CA C 13 57.545 0.15 . . . . . A 19 ARG CA . 25068 1 72 . 1 1 19 19 ARG CB C 13 31.149 0.15 . . . . . A 19 ARG CB . 25068 1 73 . 1 1 19 19 ARG CG C 13 27.837 0.15 . . . . . A 19 ARG CG . 25068 1 74 . 1 1 19 19 ARG CD C 13 44.211 0.15 . . . . . A 19 ARG CD . 25068 1 75 . 1 1 19 19 ARG N N 15 122.242 0.15 . . . . . A 19 ARG N . 25068 1 76 . 1 1 20 20 ALA H H 1 7.348 0.05 . . . . . A 20 ALA H . 25068 1 77 . 1 1 20 20 ALA HA H 1 4.139 0.05 . . . . . A 20 ALA HA . 25068 1 78 . 1 1 20 20 ALA HB1 H 1 1.105 0.05 . . . . . A 20 ALA HB1 . 25068 1 79 . 1 1 20 20 ALA HB2 H 1 1.105 0.05 . . . . . A 20 ALA HB2 . 25068 1 80 . 1 1 20 20 ALA HB3 H 1 1.105 0.05 . . . . . A 20 ALA HB3 . 25068 1 81 . 1 1 20 20 ALA C C 13 177.843 0.15 . . . . . A 20 ALA C . 25068 1 82 . 1 1 20 20 ALA CA C 13 52.391 0.15 . . . . . A 20 ALA CA . 25068 1 83 . 1 1 20 20 ALA CB C 13 19.397 0.15 . . . . . A 20 ALA CB . 25068 1 84 . 1 1 20 20 ALA N N 15 123.176 0.15 . . . . . A 20 ALA N . 25068 1 85 . 1 1 21 21 LEU H H 1 9.055 0.05 . . . . . A 21 LEU H . 25068 1 86 . 1 1 21 21 LEU HA H 1 4.194 0.05 . . . . . A 21 LEU HA . 25068 1 87 . 1 1 21 21 LEU HB2 H 1 0.736 0.05 . . . . . A 21 LEU HB2 . 25068 1 88 . 1 1 21 21 LEU HB3 H 1 1.094 0.05 . . . . . A 21 LEU HB3 . 25068 1 89 . 1 1 21 21 LEU HG H 1 1.359 0.05 . . . . . A 21 LEU HG . 25068 1 90 . 1 1 21 21 LEU HD11 H 1 0.246 0.05 . . . . . A 21 LEU HD11 . 25068 1 91 . 1 1 21 21 LEU HD12 H 1 0.246 0.05 . . . . . A 21 LEU HD12 . 25068 1 92 . 1 1 21 21 LEU HD13 H 1 0.246 0.05 . . . . . A 21 LEU HD13 . 25068 1 93 . 1 1 21 21 LEU HD21 H 1 0.263 0.05 . . . . . A 21 LEU HD21 . 25068 1 94 . 1 1 21 21 LEU HD22 H 1 0.263 0.05 . . . . . A 21 LEU HD22 . 25068 1 95 . 1 1 21 21 LEU HD23 H 1 0.263 0.05 . . . . . A 21 LEU HD23 . 25068 1 96 . 1 1 21 21 LEU C C 13 177.091 0.15 . . . . . A 21 LEU C . 25068 1 97 . 1 1 21 21 LEU CA C 13 55.472 0.15 . . . . . A 21 LEU CA . 25068 1 98 . 1 1 21 21 LEU CB C 13 43.931 0.15 . . . . . A 21 LEU CB . 25068 1 99 . 1 1 21 21 LEU CG C 13 28.357 0.15 . . . . . A 21 LEU CG . 25068 1 100 . 1 1 21 21 LEU CD1 C 13 24.411 0.15 . . . . . A 21 LEU CD1 . 25068 1 101 . 1 1 21 21 LEU CD2 C 13 25.420 0.15 . . . . . A 21 LEU CD2 . 25068 1 102 . 1 1 21 21 LEU N N 15 125.680 0.15 . . . . . A 21 LEU N . 25068 1 103 . 1 1 22 22 SER H H 1 7.549 0.05 . . . . . A 22 SER H . 25068 1 104 . 1 1 22 22 SER HA H 1 4.427 0.05 . . . . . A 22 SER HA . 25068 1 105 . 1 1 22 22 SER HB3 H 1 3.957 0.05 . . . . . A 22 SER HB3 . 25068 1 106 . 1 1 22 22 SER C C 13 174.241 0.15 . . . . . A 22 SER C . 25068 1 107 . 1 1 22 22 SER CA C 13 57.564 0.15 . . . . . A 22 SER CA . 25068 1 108 . 1 1 22 22 SER CB C 13 66.568 0.15 . . . . . A 22 SER CB . 25068 1 109 . 1 1 22 22 SER N N 15 116.686 0.15 . . . . . A 22 SER N . 25068 1 110 . 1 1 23 23 ALA H H 1 9.035 0.05 . . . . . A 23 ALA H . 25068 1 111 . 1 1 23 23 ALA HA H 1 4.163 0.05 . . . . . A 23 ALA HA . 25068 1 112 . 1 1 23 23 ALA HB1 H 1 1.562 0.05 . . . . . A 23 ALA HB1 . 25068 1 113 . 1 1 23 23 ALA HB2 H 1 1.562 0.05 . . . . . A 23 ALA HB2 . 25068 1 114 . 1 1 23 23 ALA HB3 H 1 1.562 0.05 . . . . . A 23 ALA HB3 . 25068 1 115 . 1 1 23 23 ALA C C 13 178.863 0.15 . . . . . A 23 ALA C . 25068 1 116 . 1 1 23 23 ALA CA C 13 57.124 0.15 . . . . . A 23 ALA CA . 25068 1 117 . 1 1 23 23 ALA CB C 13 19.441 0.15 . . . . . A 23 ALA CB . 25068 1 118 . 1 1 23 23 ALA N N 15 123.382 0.15 . . . . . A 23 ALA N . 25068 1 119 . 1 1 24 24 TYR H H 1 8.206 0.05 . . . . . A 24 TYR H . 25068 1 120 . 1 1 24 24 TYR HA H 1 2.590 0.05 . . . . . A 24 TYR HA . 25068 1 121 . 1 1 24 24 TYR HB2 H 1 2.297 0.05 . . . . . A 24 TYR HB2 . 25068 1 122 . 1 1 24 24 TYR HB3 H 1 2.190 0.05 . . . . . A 24 TYR HB3 . 25068 1 123 . 1 1 24 24 TYR C C 13 176.257 0.15 . . . . . A 24 TYR C . 25068 1 124 . 1 1 24 24 TYR CA C 13 60.940 0.15 . . . . . A 24 TYR CA . 25068 1 125 . 1 1 24 24 TYR CB C 13 39.106 0.15 . . . . . A 24 TYR CB . 25068 1 126 . 1 1 24 24 TYR N N 15 115.979 0.15 . . . . . A 24 TYR N . 25068 1 127 . 1 1 25 25 MET H H 1 7.433 0.05 . . . . . A 25 MET H . 25068 1 128 . 1 1 25 25 MET HA H 1 3.643 0.05 . . . . . A 25 MET HA . 25068 1 129 . 1 1 25 25 MET HB2 H 1 1.944 0.05 . . . . . A 25 MET HB2 . 25068 1 130 . 1 1 25 25 MET HB3 H 1 1.633 0.05 . . . . . A 25 MET HB3 . 25068 1 131 . 1 1 25 25 MET HG2 H 1 2.401 0.05 . . . . . A 25 MET HG2 . 25068 1 132 . 1 1 25 25 MET HG3 H 1 2.569 0.05 . . . . . A 25 MET HG3 . 25068 1 133 . 1 1 25 25 MET C C 13 180.177 0.15 . . . . . A 25 MET C . 25068 1 134 . 1 1 25 25 MET CA C 13 59.161 0.15 . . . . . A 25 MET CA . 25068 1 135 . 1 1 25 25 MET CB C 13 32.748 0.15 . . . . . A 25 MET CB . 25068 1 136 . 1 1 25 25 MET CG C 13 34.339 0.15 . . . . . A 25 MET CG . 25068 1 137 . 1 1 25 25 MET N N 15 116.391 0.15 . . . . . A 25 MET N . 25068 1 138 . 1 1 26 26 PHE H H 1 7.982 0.05 . . . . . A 26 PHE H . 25068 1 139 . 1 1 26 26 PHE HA H 1 4.063 0.05 . . . . . A 26 PHE HA . 25068 1 140 . 1 1 26 26 PHE HB2 H 1 3.331 0.05 . . . . . A 26 PHE HB2 . 25068 1 141 . 1 1 26 26 PHE HB3 H 1 3.242 0.05 . . . . . A 26 PHE HB3 . 25068 1 142 . 1 1 26 26 PHE C C 13 178.055 0.15 . . . . . A 26 PHE C . 25068 1 143 . 1 1 26 26 PHE CA C 13 64.840 0.15 . . . . . A 26 PHE CA . 25068 1 144 . 1 1 26 26 PHE CB C 13 40.437 0.15 . . . . . A 26 PHE CB . 25068 1 145 . 1 1 26 26 PHE N N 15 118.699 0.15 . . . . . A 26 PHE N . 25068 1 146 . 1 1 27 27 TYR H H 1 7.843 0.05 . . . . . A 27 TYR H . 25068 1 147 . 1 1 27 27 TYR HA H 1 3.576 0.05 . . . . . A 27 TYR HA . 25068 1 148 . 1 1 27 27 TYR HB2 H 1 2.391 0.05 . . . . . A 27 TYR HB2 . 25068 1 149 . 1 1 27 27 TYR HB3 H 1 1.923 0.05 . . . . . A 27 TYR HB3 . 25068 1 150 . 1 1 27 27 TYR C C 13 176.691 0.15 . . . . . A 27 TYR C . 25068 1 151 . 1 1 27 27 TYR CA C 13 62.831 0.15 . . . . . A 27 TYR CA . 25068 1 152 . 1 1 27 27 TYR CB C 13 39.238 0.15 . . . . . A 27 TYR CB . 25068 1 153 . 1 1 27 27 TYR N N 15 123.888 0.15 . . . . . A 27 TYR N . 25068 1 154 . 1 1 28 28 VAL H H 1 8.370 0.05 . . . . . A 28 VAL H . 25068 1 155 . 1 1 28 28 VAL HA H 1 2.912 0.05 . . . . . A 28 VAL HA . 25068 1 156 . 1 1 28 28 VAL HB H 1 1.676 0.05 . . . . . A 28 VAL HB . 25068 1 157 . 1 1 28 28 VAL HG11 H 1 0.207 0.05 . . . . . A 28 VAL HG11 . 25068 1 158 . 1 1 28 28 VAL HG12 H 1 0.207 0.05 . . . . . A 28 VAL HG12 . 25068 1 159 . 1 1 28 28 VAL HG13 H 1 0.207 0.05 . . . . . A 28 VAL HG13 . 25068 1 160 . 1 1 28 28 VAL HG21 H 1 0.548 0.05 . . . . . A 28 VAL HG21 . 25068 1 161 . 1 1 28 28 VAL HG22 H 1 0.548 0.05 . . . . . A 28 VAL HG22 . 25068 1 162 . 1 1 28 28 VAL HG23 H 1 0.548 0.05 . . . . . A 28 VAL HG23 . 25068 1 163 . 1 1 28 28 VAL C C 13 177.067 0.15 . . . . . A 28 VAL C . 25068 1 164 . 1 1 28 28 VAL CA C 13 67.149 0.15 . . . . . A 28 VAL CA . 25068 1 165 . 1 1 28 28 VAL CB C 13 32.599 0.15 . . . . . A 28 VAL CB . 25068 1 166 . 1 1 28 28 VAL CG1 C 13 23.592 0.15 . . . . . A 28 VAL CG1 . 25068 1 167 . 1 1 28 28 VAL CG2 C 13 21.986 0.15 . . . . . A 28 VAL CG2 . 25068 1 168 . 1 1 28 28 VAL N N 15 119.501 0.15 . . . . . A 28 VAL N . 25068 1 169 . 1 1 29 29 LYS H H 1 6.821 0.05 . . . . . A 29 LYS H . 25068 1 170 . 1 1 29 29 LYS HA H 1 3.676 0.05 . . . . . A 29 LYS HA . 25068 1 171 . 1 1 29 29 LYS HB3 H 1 1.797 0.05 . . . . . A 29 LYS HB3 . 25068 1 172 . 1 1 29 29 LYS HG2 H 1 1.438 0.05 . . . . . A 29 LYS HG2 . 25068 1 173 . 1 1 29 29 LYS HG3 H 1 1.327 0.05 . . . . . A 29 LYS HG3 . 25068 1 174 . 1 1 29 29 LYS HD3 H 1 1.498 0.05 . . . . . A 29 LYS HD3 . 25068 1 175 . 1 1 29 29 LYS HE2 H 1 2.823 0.05 . . . . . A 29 LYS HE2 . 25068 1 176 . 1 1 29 29 LYS HE3 H 1 2.765 0.05 . . . . . A 29 LYS HE3 . 25068 1 177 . 1 1 29 29 LYS C C 13 178.627 0.15 . . . . . A 29 LYS C . 25068 1 178 . 1 1 29 29 LYS CA C 13 60.349 0.15 . . . . . A 29 LYS CA . 25068 1 179 . 1 1 29 29 LYS CB C 13 33.278 0.15 . . . . . A 29 LYS CB . 25068 1 180 . 1 1 29 29 LYS CG C 13 25.690 0.15 . . . . . A 29 LYS CG . 25068 1 181 . 1 1 29 29 LYS CD C 13 30.583 0.15 . . . . . A 29 LYS CD . 25068 1 182 . 1 1 29 29 LYS CE C 13 42.763 0.15 . . . . . A 29 LYS CE . 25068 1 183 . 1 1 29 29 LYS N N 15 114.512 0.15 . . . . . A 29 LYS N . 25068 1 184 . 1 1 30 30 ASP H H 1 6.875 0.05 . . . . . A 30 ASP H . 25068 1 185 . 1 1 30 30 ASP HA H 1 4.466 0.05 . . . . . A 30 ASP HA . 25068 1 186 . 1 1 30 30 ASP HB2 H 1 2.671 0.05 . . . . . A 30 ASP HB2 . 25068 1 187 . 1 1 30 30 ASP HB3 H 1 2.615 0.05 . . . . . A 30 ASP HB3 . 25068 1 188 . 1 1 30 30 ASP C C 13 178.615 0.15 . . . . . A 30 ASP C . 25068 1 189 . 1 1 30 30 ASP CA C 13 57.223 0.15 . . . . . A 30 ASP CA . 25068 1 190 . 1 1 30 30 ASP CB C 13 42.066 0.15 . . . . . A 30 ASP CB . 25068 1 191 . 1 1 30 30 ASP N N 15 116.793 0.15 . . . . . A 30 ASP N . 25068 1 192 . 1 1 31 31 LYS H H 1 8.910 0.05 . . . . . A 31 LYS H . 25068 1 193 . 1 1 31 31 LYS HA H 1 3.813 0.05 . . . . . A 31 LYS HA . 25068 1 194 . 1 1 31 31 LYS HB2 H 1 0.620 0.05 . . . . . A 31 LYS HB2 . 25068 1 195 . 1 1 31 31 LYS HB3 H 1 1.125 0.05 . . . . . A 31 LYS HB3 . 25068 1 196 . 1 1 31 31 LYS HG3 H 1 1.312 0.05 . . . . . A 31 LYS HG3 . 25068 1 197 . 1 1 31 31 LYS C C 13 178.443 0.15 . . . . . A 31 LYS C . 25068 1 198 . 1 1 31 31 LYS CA C 13 57.494 0.15 . . . . . A 31 LYS CA . 25068 1 199 . 1 1 31 31 LYS CB C 13 32.539 0.15 . . . . . A 31 LYS CB . 25068 1 200 . 1 1 31 31 LYS CG C 13 25.595 0.15 . . . . . A 31 LYS CG . 25068 1 201 . 1 1 31 31 LYS CD C 13 29.000 0.15 . . . . . A 31 LYS CD . 25068 1 202 . 1 1 31 31 LYS CE C 13 42.548 0.15 . . . . . A 31 LYS CE . 25068 1 203 . 1 1 31 31 LYS N N 15 122.423 0.15 . . . . . A 31 LYS N . 25068 1 204 . 1 1 32 32 ARG H H 1 8.501 0.05 . . . . . A 32 ARG H . 25068 1 205 . 1 1 32 32 ARG HA H 1 3.540 0.05 . . . . . A 32 ARG HA . 25068 1 206 . 1 1 32 32 ARG HB2 H 1 1.652 0.05 . . . . . A 32 ARG HB2 . 25068 1 207 . 1 1 32 32 ARG HB3 H 1 1.570 0.05 . . . . . A 32 ARG HB3 . 25068 1 208 . 1 1 32 32 ARG HG2 H 1 1.425 0.05 . . . . . A 32 ARG HG2 . 25068 1 209 . 1 1 32 32 ARG HG3 H 1 1.313 0.05 . . . . . A 32 ARG HG3 . 25068 1 210 . 1 1 32 32 ARG HD2 H 1 2.995 0.05 . . . . . A 32 ARG HD2 . 25068 1 211 . 1 1 32 32 ARG HD3 H 1 2.933 0.05 . . . . . A 32 ARG HD3 . 25068 1 212 . 1 1 32 32 ARG C C 13 176.951 0.15 . . . . . A 32 ARG C . 25068 1 213 . 1 1 32 32 ARG CA C 13 61.259 0.15 . . . . . A 32 ARG CA . 25068 1 214 . 1 1 32 32 ARG CB C 13 30.668 0.15 . . . . . A 32 ARG CB . 25068 1 215 . 1 1 32 32 ARG CG C 13 28.262 0.15 . . . . . A 32 ARG CG . 25068 1 216 . 1 1 32 32 ARG CD C 13 44.298 0.15 . . . . . A 32 ARG CD . 25068 1 217 . 1 1 32 32 ARG N N 15 117.823 0.15 . . . . . A 32 ARG N . 25068 1 218 . 1 1 33 33 LEU H H 1 6.549 0.05 . . . . . A 33 LEU H . 25068 1 219 . 1 1 33 33 LEU HA H 1 3.871 0.05 . . . . . A 33 LEU HA . 25068 1 220 . 1 1 33 33 LEU HB2 H 1 1.461 0.05 . . . . . A 33 LEU HB2 . 25068 1 221 . 1 1 33 33 LEU HB3 H 1 1.746 0.05 . . . . . A 33 LEU HB3 . 25068 1 222 . 1 1 33 33 LEU HG H 1 1.696 0.05 . . . . . A 33 LEU HG . 25068 1 223 . 1 1 33 33 LEU HD11 H 1 0.785 0.05 . . . . . A 33 LEU HD11 . 25068 1 224 . 1 1 33 33 LEU HD12 H 1 0.785 0.05 . . . . . A 33 LEU HD12 . 25068 1 225 . 1 1 33 33 LEU HD13 H 1 0.785 0.05 . . . . . A 33 LEU HD13 . 25068 1 226 . 1 1 33 33 LEU HD21 H 1 0.903 0.05 . . . . . A 33 LEU HD21 . 25068 1 227 . 1 1 33 33 LEU HD22 H 1 0.903 0.05 . . . . . A 33 LEU HD22 . 25068 1 228 . 1 1 33 33 LEU HD23 H 1 0.903 0.05 . . . . . A 33 LEU HD23 . 25068 1 229 . 1 1 33 33 LEU C C 13 179.180 0.15 . . . . . A 33 LEU C . 25068 1 230 . 1 1 33 33 LEU CA C 13 58.377 0.15 . . . . . A 33 LEU CA . 25068 1 231 . 1 1 33 33 LEU CB C 13 42.429 0.15 . . . . . A 33 LEU CB . 25068 1 232 . 1 1 33 33 LEU CG C 13 27.809 0.15 . . . . . A 33 LEU CG . 25068 1 233 . 1 1 33 33 LEU CD1 C 13 23.973 0.15 . . . . . A 33 LEU CD1 . 25068 1 234 . 1 1 33 33 LEU CD2 C 13 26.146 0.15 . . . . . A 33 LEU CD2 . 25068 1 235 . 1 1 33 33 LEU N N 15 114.878 0.15 . . . . . A 33 LEU N . 25068 1 236 . 1 1 34 34 GLU H H 1 7.135 0.05 . . . . . A 34 GLU H . 25068 1 237 . 1 1 34 34 GLU HA H 1 3.866 0.05 . . . . . A 34 GLU HA . 25068 1 238 . 1 1 34 34 GLU HB2 H 1 2.054 0.05 . . . . . A 34 GLU HB2 . 25068 1 239 . 1 1 34 34 GLU HB3 H 1 2.024 0.05 . . . . . A 34 GLU HB3 . 25068 1 240 . 1 1 34 34 GLU HG2 H 1 2.024 0.05 . . . . . A 34 GLU HG2 . 25068 1 241 . 1 1 34 34 GLU HG3 H 1 2.264 0.05 . . . . . A 34 GLU HG3 . 25068 1 242 . 1 1 34 34 GLU C C 13 178.988 0.15 . . . . . A 34 GLU C . 25068 1 243 . 1 1 34 34 GLU CA C 13 60.248 0.15 . . . . . A 34 GLU CA . 25068 1 244 . 1 1 34 34 GLU CB C 13 31.325 0.15 . . . . . A 34 GLU CB . 25068 1 245 . 1 1 34 34 GLU CG C 13 37.049 0.15 . . . . . A 34 GLU CG . 25068 1 246 . 1 1 34 34 GLU N N 15 118.637 0.15 . . . . . A 34 GLU N . 25068 1 247 . 1 1 35 35 ILE H H 1 8.076 0.05 . . . . . A 35 ILE H . 25068 1 248 . 1 1 35 35 ILE HA H 1 3.693 0.05 . . . . . A 35 ILE HA . 25068 1 249 . 1 1 35 35 ILE HB H 1 1.717 0.05 . . . . . A 35 ILE HB . 25068 1 250 . 1 1 35 35 ILE HG12 H 1 1.570 0.05 . . . . . A 35 ILE HG12 . 25068 1 251 . 1 1 35 35 ILE HG13 H 1 1.118 0.05 . . . . . A 35 ILE HG13 . 25068 1 252 . 1 1 35 35 ILE HG21 H 1 0.764 0.05 . . . . . A 35 ILE HG21 . 25068 1 253 . 1 1 35 35 ILE HG22 H 1 0.764 0.05 . . . . . A 35 ILE HG22 . 25068 1 254 . 1 1 35 35 ILE HG23 H 1 0.764 0.05 . . . . . A 35 ILE HG23 . 25068 1 255 . 1 1 35 35 ILE HD11 H 1 0.671 0.05 . . . . . A 35 ILE HD11 . 25068 1 256 . 1 1 35 35 ILE HD12 H 1 0.671 0.05 . . . . . A 35 ILE HD12 . 25068 1 257 . 1 1 35 35 ILE HD13 H 1 0.671 0.05 . . . . . A 35 ILE HD13 . 25068 1 258 . 1 1 35 35 ILE C C 13 177.789 0.15 . . . . . A 35 ILE C . 25068 1 259 . 1 1 35 35 ILE CA C 13 65.753 0.15 . . . . . A 35 ILE CA . 25068 1 260 . 1 1 35 35 ILE CB C 13 38.940 0.15 . . . . . A 35 ILE CB . 25068 1 261 . 1 1 35 35 ILE CG1 C 13 29.853 0.15 . . . . . A 35 ILE CG1 . 25068 1 262 . 1 1 35 35 ILE CG2 C 13 18.938 0.15 . . . . . A 35 ILE CG2 . 25068 1 263 . 1 1 35 35 ILE CD1 C 13 15.953 0.15 . . . . . A 35 ILE CD1 . 25068 1 264 . 1 1 35 35 ILE N N 15 119.142 0.15 . . . . . A 35 ILE N . 25068 1 265 . 1 1 36 36 ILE H H 1 7.754 0.05 . . . . . A 36 ILE H . 25068 1 266 . 1 1 36 36 ILE HA H 1 3.640 0.05 . . . . . A 36 ILE HA . 25068 1 267 . 1 1 36 36 ILE HB H 1 1.736 0.05 . . . . . A 36 ILE HB . 25068 1 268 . 1 1 36 36 ILE HG12 H 1 1.441 0.05 . . . . . A 36 ILE HG12 . 25068 1 269 . 1 1 36 36 ILE HG13 H 1 1.029 0.05 . . . . . A 36 ILE HG13 . 25068 1 270 . 1 1 36 36 ILE HG21 H 1 0.778 0.05 . . . . . A 36 ILE HG21 . 25068 1 271 . 1 1 36 36 ILE HG22 H 1 0.778 0.05 . . . . . A 36 ILE HG22 . 25068 1 272 . 1 1 36 36 ILE HG23 H 1 0.778 0.05 . . . . . A 36 ILE HG23 . 25068 1 273 . 1 1 36 36 ILE HD11 H 1 0.678 0.05 . . . . . A 36 ILE HD11 . 25068 1 274 . 1 1 36 36 ILE HD12 H 1 0.678 0.05 . . . . . A 36 ILE HD12 . 25068 1 275 . 1 1 36 36 ILE HD13 H 1 0.678 0.05 . . . . . A 36 ILE HD13 . 25068 1 276 . 1 1 36 36 ILE C C 13 177.270 0.15 . . . . . A 36 ILE C . 25068 1 277 . 1 1 36 36 ILE CA C 13 64.633 0.15 . . . . . A 36 ILE CA . 25068 1 278 . 1 1 36 36 ILE CB C 13 38.718 0.15 . . . . . A 36 ILE CB . 25068 1 279 . 1 1 36 36 ILE CG1 C 13 29.746 0.15 . . . . . A 36 ILE CG1 . 25068 1 280 . 1 1 36 36 ILE CG2 C 13 18.611 0.15 . . . . . A 36 ILE CG2 . 25068 1 281 . 1 1 36 36 ILE CD1 C 13 14.270 0.15 . . . . . A 36 ILE CD1 . 25068 1 282 . 1 1 36 36 ILE N N 15 116.296 0.15 . . . . . A 36 ILE N . 25068 1 283 . 1 1 37 37 LYS H H 1 7.413 0.05 . . . . . A 37 LYS H . 25068 1 284 . 1 1 37 37 LYS HA H 1 3.922 0.05 . . . . . A 37 LYS HA . 25068 1 285 . 1 1 37 37 LYS HB3 H 1 1.793 0.05 . . . . . A 37 LYS HB3 . 25068 1 286 . 1 1 37 37 LYS HG2 H 1 1.302 0.05 . . . . . A 37 LYS HG2 . 25068 1 287 . 1 1 37 37 LYS HG3 H 1 1.440 0.05 . . . . . A 37 LYS HG3 . 25068 1 288 . 1 1 37 37 LYS HD3 H 1 1.596 0.05 . . . . . A 37 LYS HD3 . 25068 1 289 . 1 1 37 37 LYS HE3 H 1 2.867 0.05 . . . . . A 37 LYS HE3 . 25068 1 290 . 1 1 37 37 LYS C C 13 178.129 0.15 . . . . . A 37 LYS C . 25068 1 291 . 1 1 37 37 LYS CA C 13 59.996 0.15 . . . . . A 37 LYS CA . 25068 1 292 . 1 1 37 37 LYS CB C 13 33.487 0.15 . . . . . A 37 LYS CB . 25068 1 293 . 1 1 37 37 LYS CG C 13 25.759 0.15 . . . . . A 37 LYS CG . 25068 1 294 . 1 1 37 37 LYS CD C 13 30.160 0.15 . . . . . A 37 LYS CD . 25068 1 295 . 1 1 37 37 LYS CE C 13 42.894 0.15 . . . . . A 37 LYS CE . 25068 1 296 . 1 1 37 37 LYS N N 15 119.626 0.15 . . . . . A 37 LYS N . 25068 1 297 . 1 1 38 38 GLU H H 1 7.354 0.05 . . . . . A 38 GLU H . 25068 1 298 . 1 1 38 38 GLU HA H 1 4.060 0.05 . . . . . A 38 GLU HA . 25068 1 299 . 1 1 38 38 GLU HB3 H 1 2.017 0.05 . . . . . A 38 GLU HB3 . 25068 1 300 . 1 1 38 38 GLU HG2 H 1 2.334 0.05 . . . . . A 38 GLU HG2 . 25068 1 301 . 1 1 38 38 GLU HG3 H 1 2.189 0.05 . . . . . A 38 GLU HG3 . 25068 1 302 . 1 1 38 38 GLU C C 13 177.004 0.15 . . . . . A 38 GLU C . 25068 1 303 . 1 1 38 38 GLU CA C 13 59.070 0.15 . . . . . A 38 GLU CA . 25068 1 304 . 1 1 38 38 GLU CB C 13 31.665 0.15 . . . . . A 38 GLU CB . 25068 1 305 . 1 1 38 38 GLU CG C 13 37.429 0.15 . . . . . A 38 GLU CG . 25068 1 306 . 1 1 38 38 GLU N N 15 116.708 0.15 . . . . . A 38 GLU N . 25068 1 307 . 1 1 39 39 LYS H H 1 8.176 0.05 . . . . . A 39 LYS H . 25068 1 308 . 1 1 39 39 LYS HA H 1 4.690 0.05 . . . . . A 39 LYS HA . 25068 1 309 . 1 1 39 39 LYS HB3 H 1 1.642 0.05 . . . . . A 39 LYS HB3 . 25068 1 310 . 1 1 39 39 LYS HG3 H 1 1.253 0.05 . . . . . A 39 LYS HG3 . 25068 1 311 . 1 1 39 39 LYS HD3 H 1 1.531 0.05 . . . . . A 39 LYS HD3 . 25068 1 312 . 1 1 39 39 LYS HE3 H 1 2.863 0.05 . . . . . A 39 LYS HE3 . 25068 1 313 . 1 1 39 39 LYS C C 13 172.792 0.15 . . . . . A 39 LYS C . 25068 1 314 . 1 1 39 39 LYS CA C 13 54.596 0.15 . . . . . A 39 LYS CA . 25068 1 315 . 1 1 39 39 LYS CB C 13 33.945 0.15 . . . . . A 39 LYS CB . 25068 1 316 . 1 1 39 39 LYS CG C 13 25.845 0.15 . . . . . A 39 LYS CG . 25068 1 317 . 1 1 39 39 LYS CD C 13 30.585 0.15 . . . . . A 39 LYS CD . 25068 1 318 . 1 1 39 39 LYS CE C 13 42.920 0.15 . . . . . A 39 LYS CE . 25068 1 319 . 1 1 39 39 LYS N N 15 118.621 0.15 . . . . . A 39 LYS N . 25068 1 320 . 1 1 40 40 PRO HA H 1 4.429 0.05 . . . . . A 40 PRO HA . 25068 1 321 . 1 1 40 40 PRO HB2 H 1 2.313 0.05 . . . . . A 40 PRO HB2 . 25068 1 322 . 1 1 40 40 PRO HB3 H 1 1.846 0.05 . . . . . A 40 PRO HB3 . 25068 1 323 . 1 1 40 40 PRO HG2 H 1 1.938 0.05 . . . . . A 40 PRO HG2 . 25068 1 324 . 1 1 40 40 PRO HD2 H 1 3.612 0.05 . . . . . A 40 PRO HD2 . 25068 1 325 . 1 1 40 40 PRO HD3 H 1 3.253 0.05 . . . . . A 40 PRO HD3 . 25068 1 326 . 1 1 40 40 PRO C C 13 179.829 0.15 . . . . . A 40 PRO C . 25068 1 327 . 1 1 40 40 PRO CA C 13 66.040 0.15 . . . . . A 40 PRO CA . 25068 1 328 . 1 1 40 40 PRO CB C 13 32.606 0.15 . . . . . A 40 PRO CB . 25068 1 329 . 1 1 40 40 PRO CG C 13 28.271 0.15 . . . . . A 40 PRO CG . 25068 1 330 . 1 1 40 40 PRO CD C 13 51.070 0.15 . . . . . A 40 PRO CD . 25068 1 331 . 1 1 41 41 GLU H H 1 9.789 0.05 . . . . . A 41 GLU H . 25068 1 332 . 1 1 41 41 GLU HA H 1 4.143 0.05 . . . . . A 41 GLU HA . 25068 1 333 . 1 1 41 41 GLU HB2 H 1 1.927 0.05 . . . . . A 41 GLU HB2 . 25068 1 334 . 1 1 41 41 GLU HG2 H 1 2.020 0.05 . . . . . A 41 GLU HG2 . 25068 1 335 . 1 1 41 41 GLU HG3 H 1 2.280 0.05 . . . . . A 41 GLU HG3 . 25068 1 336 . 1 1 41 41 GLU C C 13 178.502 0.15 . . . . . A 41 GLU C . 25068 1 337 . 1 1 41 41 GLU CA C 13 59.485 0.15 . . . . . A 41 GLU CA . 25068 1 338 . 1 1 41 41 GLU CB C 13 28.574 0.15 . . . . . A 41 GLU CB . 25068 1 339 . 1 1 41 41 GLU CG C 13 36.551 0.15 . . . . . A 41 GLU CG . 25068 1 340 . 1 1 41 41 GLU N N 15 119.150 0.15 . . . . . A 41 GLU N . 25068 1 341 . 1 1 42 42 LEU H H 1 8.312 0.05 . . . . . A 42 LEU H . 25068 1 342 . 1 1 42 42 LEU HA H 1 4.185 0.05 . . . . . A 42 LEU HA . 25068 1 343 . 1 1 42 42 LEU HB2 H 1 1.474 0.05 . . . . . A 42 LEU HB2 . 25068 1 344 . 1 1 42 42 LEU HB3 H 1 1.720 0.05 . . . . . A 42 LEU HB3 . 25068 1 345 . 1 1 42 42 LEU HG H 1 1.521 0.05 . . . . . A 42 LEU HG . 25068 1 346 . 1 1 42 42 LEU HD11 H 1 0.714 0.05 . . . . . A 42 LEU HD11 . 25068 1 347 . 1 1 42 42 LEU HD12 H 1 0.714 0.05 . . . . . A 42 LEU HD12 . 25068 1 348 . 1 1 42 42 LEU HD13 H 1 0.714 0.05 . . . . . A 42 LEU HD13 . 25068 1 349 . 1 1 42 42 LEU HD21 H 1 0.728 0.05 . . . . . A 42 LEU HD21 . 25068 1 350 . 1 1 42 42 LEU HD22 H 1 0.728 0.05 . . . . . A 42 LEU HD22 . 25068 1 351 . 1 1 42 42 LEU HD23 H 1 0.728 0.05 . . . . . A 42 LEU HD23 . 25068 1 352 . 1 1 42 42 LEU C C 13 177.815 0.15 . . . . . A 42 LEU C . 25068 1 353 . 1 1 42 42 LEU CA C 13 56.730 0.15 . . . . . A 42 LEU CA . 25068 1 354 . 1 1 42 42 LEU CB C 13 42.013 0.15 . . . . . A 42 LEU CB . 25068 1 355 . 1 1 42 42 LEU CG C 13 28.123 0.15 . . . . . A 42 LEU CG . 25068 1 356 . 1 1 42 42 LEU CD1 C 13 27.223 0.15 . . . . . A 42 LEU CD1 . 25068 1 357 . 1 1 42 42 LEU CD2 C 13 24.109 0.15 . . . . . A 42 LEU CD2 . 25068 1 358 . 1 1 42 42 LEU N N 15 121.443 0.15 . . . . . A 42 LEU N . 25068 1 359 . 1 1 43 43 ALA H H 1 7.554 0.05 . . . . . A 43 ALA H . 25068 1 360 . 1 1 43 43 ALA HA H 1 3.746 0.05 . . . . . A 43 ALA HA . 25068 1 361 . 1 1 43 43 ALA HB1 H 1 1.382 0.05 . . . . . A 43 ALA HB1 . 25068 1 362 . 1 1 43 43 ALA HB2 H 1 1.382 0.05 . . . . . A 43 ALA HB2 . 25068 1 363 . 1 1 43 43 ALA HB3 H 1 1.382 0.05 . . . . . A 43 ALA HB3 . 25068 1 364 . 1 1 43 43 ALA C C 13 178.635 0.15 . . . . . A 43 ALA C . 25068 1 365 . 1 1 43 43 ALA CA C 13 56.164 0.15 . . . . . A 43 ALA CA . 25068 1 366 . 1 1 43 43 ALA CB C 13 19.670 0.15 . . . . . A 43 ALA CB . 25068 1 367 . 1 1 43 43 ALA N N 15 119.949 0.15 . . . . . A 43 ALA N . 25068 1 368 . 1 1 44 44 LYS H H 1 7.560 0.05 . . . . . A 44 LYS H . 25068 1 369 . 1 1 44 44 LYS HA H 1 4.232 0.05 . . . . . A 44 LYS HA . 25068 1 370 . 1 1 44 44 LYS HB2 H 1 1.654 0.05 . . . . . A 44 LYS HB2 . 25068 1 371 . 1 1 44 44 LYS HB3 H 1 1.914 0.05 . . . . . A 44 LYS HB3 . 25068 1 372 . 1 1 44 44 LYS HG3 H 1 1.336 0.05 . . . . . A 44 LYS HG3 . 25068 1 373 . 1 1 44 44 LYS HD3 H 1 1.559 0.05 . . . . . A 44 LYS HD3 . 25068 1 374 . 1 1 44 44 LYS HE3 H 1 2.894 0.05 . . . . . A 44 LYS HE3 . 25068 1 375 . 1 1 44 44 LYS C C 13 175.949 0.15 . . . . . A 44 LYS C . 25068 1 376 . 1 1 44 44 LYS CA C 13 56.987 0.15 . . . . . A 44 LYS CA . 25068 1 377 . 1 1 44 44 LYS CB C 13 33.345 0.15 . . . . . A 44 LYS CB . 25068 1 378 . 1 1 44 44 LYS CG C 13 25.781 0.15 . . . . . A 44 LYS CG . 25068 1 379 . 1 1 44 44 LYS CD C 13 29.974 0.15 . . . . . A 44 LYS CD . 25068 1 380 . 1 1 44 44 LYS CE C 13 43.032 0.15 . . . . . A 44 LYS CE . 25068 1 381 . 1 1 44 44 LYS N N 15 112.690 0.15 . . . . . A 44 LYS N . 25068 1 382 . 1 1 45 45 ASP H H 1 7.672 0.05 . . . . . A 45 ASP H . 25068 1 383 . 1 1 45 45 ASP HA H 1 4.749 0.05 . . . . . A 45 ASP HA . 25068 1 384 . 1 1 45 45 ASP HB2 H 1 2.249 0.05 . . . . . A 45 ASP HB2 . 25068 1 385 . 1 1 45 45 ASP HB3 H 1 2.976 0.05 . . . . . A 45 ASP HB3 . 25068 1 386 . 1 1 45 45 ASP C C 13 174.677 0.15 . . . . . A 45 ASP C . 25068 1 387 . 1 1 45 45 ASP CA C 13 53.030 0.15 . . . . . A 45 ASP CA . 25068 1 388 . 1 1 45 45 ASP CB C 13 41.549 0.15 . . . . . A 45 ASP CB . 25068 1 389 . 1 1 45 45 ASP N N 15 122.529 0.15 . . . . . A 45 ASP N . 25068 1 390 . 1 1 46 46 VAL H H 1 7.808 0.05 . . . . . A 46 VAL H . 25068 1 391 . 1 1 46 46 VAL HA H 1 3.639 0.05 . . . . . A 46 VAL HA . 25068 1 392 . 1 1 46 46 VAL HB H 1 1.981 0.05 . . . . . A 46 VAL HB . 25068 1 393 . 1 1 46 46 VAL HG11 H 1 0.917 0.05 . . . . . A 46 VAL HG11 . 25068 1 394 . 1 1 46 46 VAL HG12 H 1 0.917 0.05 . . . . . A 46 VAL HG12 . 25068 1 395 . 1 1 46 46 VAL HG13 H 1 0.917 0.05 . . . . . A 46 VAL HG13 . 25068 1 396 . 1 1 46 46 VAL HG21 H 1 0.882 0.05 . . . . . A 46 VAL HG21 . 25068 1 397 . 1 1 46 46 VAL HG22 H 1 0.882 0.05 . . . . . A 46 VAL HG22 . 25068 1 398 . 1 1 46 46 VAL HG23 H 1 0.882 0.05 . . . . . A 46 VAL HG23 . 25068 1 399 . 1 1 46 46 VAL C C 13 179.102 0.15 . . . . . A 46 VAL C . 25068 1 400 . 1 1 46 46 VAL CA C 13 66.430 0.15 . . . . . A 46 VAL CA . 25068 1 401 . 1 1 46 46 VAL CB C 13 32.650 0.15 . . . . . A 46 VAL CB . 25068 1 402 . 1 1 46 46 VAL CG1 C 13 22.323 0.15 . . . . . A 46 VAL CG1 . 25068 1 403 . 1 1 46 46 VAL CG2 C 13 22.050 0.15 . . . . . A 46 VAL CG2 . 25068 1 404 . 1 1 46 46 VAL N N 15 121.529 0.15 . . . . . A 46 VAL N . 25068 1 405 . 1 1 47 47 ALA H H 1 8.505 0.05 . . . . . A 47 ALA H . 25068 1 406 . 1 1 47 47 ALA HA H 1 4.112 0.05 . . . . . A 47 ALA HA . 25068 1 407 . 1 1 47 47 ALA HB1 H 1 1.383 0.05 . . . . . A 47 ALA HB1 . 25068 1 408 . 1 1 47 47 ALA HB2 H 1 1.383 0.05 . . . . . A 47 ALA HB2 . 25068 1 409 . 1 1 47 47 ALA HB3 H 1 1.383 0.05 . . . . . A 47 ALA HB3 . 25068 1 410 . 1 1 47 47 ALA C C 13 180.665 0.15 . . . . . A 47 ALA C . 25068 1 411 . 1 1 47 47 ALA CA C 13 55.822 0.15 . . . . . A 47 ALA CA . 25068 1 412 . 1 1 47 47 ALA CB C 13 19.129 0.15 . . . . . A 47 ALA CB . 25068 1 413 . 1 1 47 47 ALA N N 15 123.933 0.15 . . . . . A 47 ALA N . 25068 1 414 . 1 1 48 48 GLN H H 1 7.852 0.05 . . . . . A 48 GLN H . 25068 1 415 . 1 1 48 48 GLN HA H 1 4.033 0.05 . . . . . A 48 GLN HA . 25068 1 416 . 1 1 48 48 GLN HB2 H 1 2.034 0.05 . . . . . A 48 GLN HB2 . 25068 1 417 . 1 1 48 48 GLN HB3 H 1 1.776 0.05 . . . . . A 48 GLN HB3 . 25068 1 418 . 1 1 48 48 GLN HG3 H 1 2.275 0.05 . . . . . A 48 GLN HG3 . 25068 1 419 . 1 1 48 48 GLN HE21 H 1 6.901 0.05 . . . . . A 48 GLN HE21 . 25068 1 420 . 1 1 48 48 GLN HE22 H 1 7.313 0.05 . . . . . A 48 GLN HE22 . 25068 1 421 . 1 1 48 48 GLN C C 13 178.486 0.15 . . . . . A 48 GLN C . 25068 1 422 . 1 1 48 48 GLN CA C 13 59.436 0.15 . . . . . A 48 GLN CA . 25068 1 423 . 1 1 48 48 GLN CB C 13 29.436 0.15 . . . . . A 48 GLN CB . 25068 1 424 . 1 1 48 48 GLN CG C 13 34.767 0.15 . . . . . A 48 GLN CG . 25068 1 425 . 1 1 48 48 GLN CD C 13 179.138 0.15 . . . . . A 48 GLN CD . 25068 1 426 . 1 1 48 48 GLN N N 15 120.047 0.15 . . . . . A 48 GLN N . 25068 1 427 . 1 1 48 48 GLN NE2 N 15 111.227 0.15 . . . . . A 48 GLN NE2 . 25068 1 428 . 1 1 49 49 VAL H H 1 7.984 0.05 . . . . . A 49 VAL H . 25068 1 429 . 1 1 49 49 VAL HA H 1 3.424 0.05 . . . . . A 49 VAL HA . 25068 1 430 . 1 1 49 49 VAL HB H 1 1.992 0.05 . . . . . A 49 VAL HB . 25068 1 431 . 1 1 49 49 VAL HG11 H 1 0.810 0.05 . . . . . A 49 VAL HG11 . 25068 1 432 . 1 1 49 49 VAL HG12 H 1 0.810 0.05 . . . . . A 49 VAL HG12 . 25068 1 433 . 1 1 49 49 VAL HG13 H 1 0.810 0.05 . . . . . A 49 VAL HG13 . 25068 1 434 . 1 1 49 49 VAL HG21 H 1 0.908 0.05 . . . . . A 49 VAL HG21 . 25068 1 435 . 1 1 49 49 VAL HG22 H 1 0.908 0.05 . . . . . A 49 VAL HG22 . 25068 1 436 . 1 1 49 49 VAL HG23 H 1 0.908 0.05 . . . . . A 49 VAL HG23 . 25068 1 437 . 1 1 49 49 VAL C C 13 177.519 0.15 . . . . . A 49 VAL C . 25068 1 438 . 1 1 49 49 VAL CA C 13 68.854 0.15 . . . . . A 49 VAL CA . 25068 1 439 . 1 1 49 49 VAL CB C 13 32.454 0.15 . . . . . A 49 VAL CB . 25068 1 440 . 1 1 49 49 VAL CG1 C 13 22.696 0.15 . . . . . A 49 VAL CG1 . 25068 1 441 . 1 1 49 49 VAL CG2 C 13 26.122 0.15 . . . . . A 49 VAL CG2 . 25068 1 442 . 1 1 49 49 VAL N N 15 119.185 0.15 . . . . . A 49 VAL N . 25068 1 443 . 1 1 50 50 GLY H H 1 8.020 0.05 . . . . . A 50 GLY H . 25068 1 444 . 1 1 50 50 GLY HA2 H 1 3.635 0.05 . . . . . A 50 GLY HA2 . 25068 1 445 . 1 1 50 50 GLY HA3 H 1 3.850 0.05 . . . . . A 50 GLY HA3 . 25068 1 446 . 1 1 50 50 GLY C C 13 176.825 0.15 . . . . . A 50 GLY C . 25068 1 447 . 1 1 50 50 GLY CA C 13 48.398 0.15 . . . . . A 50 GLY CA . 25068 1 448 . 1 1 50 50 GLY N N 15 104.919 0.15 . . . . . A 50 GLY N . 25068 1 449 . 1 1 51 51 LYS H H 1 7.699 0.05 . . . . . A 51 LYS H . 25068 1 450 . 1 1 51 51 LYS HA H 1 4.032 0.05 . . . . . A 51 LYS HA . 25068 1 451 . 1 1 51 51 LYS HB3 H 1 1.897 0.05 . . . . . A 51 LYS HB3 . 25068 1 452 . 1 1 51 51 LYS HG2 H 1 1.447 0.05 . . . . . A 51 LYS HG2 . 25068 1 453 . 1 1 51 51 LYS HG3 H 1 1.298 0.05 . . . . . A 51 LYS HG3 . 25068 1 454 . 1 1 51 51 LYS HD3 H 1 1.576 0.05 . . . . . A 51 LYS HD3 . 25068 1 455 . 1 1 51 51 LYS HE3 H 1 2.876 0.05 . . . . . A 51 LYS HE3 . 25068 1 456 . 1 1 51 51 LYS C C 13 179.332 0.15 . . . . . A 51 LYS C . 25068 1 457 . 1 1 51 51 LYS CA C 13 60.246 0.15 . . . . . A 51 LYS CA . 25068 1 458 . 1 1 51 51 LYS CB C 13 33.626 0.15 . . . . . A 51 LYS CB . 25068 1 459 . 1 1 51 51 LYS CG C 13 25.817 0.15 . . . . . A 51 LYS CG . 25068 1 460 . 1 1 51 51 LYS CD C 13 30.119 0.15 . . . . . A 51 LYS CD . 25068 1 461 . 1 1 51 51 LYS CE C 13 42.861 0.15 . . . . . A 51 LYS CE . 25068 1 462 . 1 1 51 51 LYS N N 15 123.422 0.15 . . . . . A 51 LYS N . 25068 1 463 . 1 1 52 52 LEU H H 1 8.088 0.05 . . . . . A 52 LEU H . 25068 1 464 . 1 1 52 52 LEU HA H 1 4.041 0.05 . . . . . A 52 LEU HA . 25068 1 465 . 1 1 52 52 LEU HB2 H 1 1.404 0.05 . . . . . A 52 LEU HB2 . 25068 1 466 . 1 1 52 52 LEU HB3 H 1 1.998 0.05 . . . . . A 52 LEU HB3 . 25068 1 467 . 1 1 52 52 LEU HG H 1 1.824 0.05 . . . . . A 52 LEU HG . 25068 1 468 . 1 1 52 52 LEU HD11 H 1 0.803 0.05 . . . . . A 52 LEU HD11 . 25068 1 469 . 1 1 52 52 LEU HD12 H 1 0.803 0.05 . . . . . A 52 LEU HD12 . 25068 1 470 . 1 1 52 52 LEU HD13 H 1 0.803 0.05 . . . . . A 52 LEU HD13 . 25068 1 471 . 1 1 52 52 LEU HD21 H 1 0.809 0.05 . . . . . A 52 LEU HD21 . 25068 1 472 . 1 1 52 52 LEU HD22 H 1 0.809 0.05 . . . . . A 52 LEU HD22 . 25068 1 473 . 1 1 52 52 LEU HD23 H 1 0.809 0.05 . . . . . A 52 LEU HD23 . 25068 1 474 . 1 1 52 52 LEU C C 13 180.984 0.15 . . . . . A 52 LEU C . 25068 1 475 . 1 1 52 52 LEU CA C 13 58.855 0.15 . . . . . A 52 LEU CA . 25068 1 476 . 1 1 52 52 LEU CB C 13 43.046 0.15 . . . . . A 52 LEU CB . 25068 1 477 . 1 1 52 52 LEU CG C 13 27.799 0.15 . . . . . A 52 LEU CG . 25068 1 478 . 1 1 52 52 LEU CD1 C 13 26.907 0.15 . . . . . A 52 LEU CD1 . 25068 1 479 . 1 1 52 52 LEU CD2 C 13 23.293 0.15 . . . . . A 52 LEU CD2 . 25068 1 480 . 1 1 52 52 LEU N N 15 120.442 0.15 . . . . . A 52 LEU N . 25068 1 481 . 1 1 53 53 ILE H H 1 8.475 0.05 . . . . . A 53 ILE H . 25068 1 482 . 1 1 53 53 ILE HA H 1 3.557 0.05 . . . . . A 53 ILE HA . 25068 1 483 . 1 1 53 53 ILE HB H 1 1.802 0.05 . . . . . A 53 ILE HB . 25068 1 484 . 1 1 53 53 ILE HG12 H 1 0.376 0.05 . . . . . A 53 ILE HG12 . 25068 1 485 . 1 1 53 53 ILE HG13 H 1 1.977 0.05 . . . . . A 53 ILE HG13 . 25068 1 486 . 1 1 53 53 ILE HG21 H 1 0.854 0.05 . . . . . A 53 ILE HG21 . 25068 1 487 . 1 1 53 53 ILE HG22 H 1 0.854 0.05 . . . . . A 53 ILE HG22 . 25068 1 488 . 1 1 53 53 ILE HG23 H 1 0.854 0.05 . . . . . A 53 ILE HG23 . 25068 1 489 . 1 1 53 53 ILE HD11 H 1 0.630 0.05 . . . . . A 53 ILE HD11 . 25068 1 490 . 1 1 53 53 ILE HD12 H 1 0.630 0.05 . . . . . A 53 ILE HD12 . 25068 1 491 . 1 1 53 53 ILE HD13 H 1 0.630 0.05 . . . . . A 53 ILE HD13 . 25068 1 492 . 1 1 53 53 ILE C C 13 177.945 0.15 . . . . . A 53 ILE C . 25068 1 493 . 1 1 53 53 ILE CA C 13 67.431 0.15 . . . . . A 53 ILE CA . 25068 1 494 . 1 1 53 53 ILE CB C 13 38.887 0.15 . . . . . A 53 ILE CB . 25068 1 495 . 1 1 53 53 ILE CG1 C 13 30.640 0.15 . . . . . A 53 ILE CG1 . 25068 1 496 . 1 1 53 53 ILE CG2 C 13 20.030 0.15 . . . . . A 53 ILE CG2 . 25068 1 497 . 1 1 53 53 ILE CD1 C 13 16.205 0.15 . . . . . A 53 ILE CD1 . 25068 1 498 . 1 1 53 53 ILE N N 15 121.249 0.15 . . . . . A 53 ILE N . 25068 1 499 . 1 1 54 54 GLY H H 1 8.130 0.05 . . . . . A 54 GLY H . 25068 1 500 . 1 1 54 54 GLY HA2 H 1 3.980 0.05 . . . . . A 54 GLY HA2 . 25068 1 501 . 1 1 54 54 GLY C C 13 177.691 0.15 . . . . . A 54 GLY C . 25068 1 502 . 1 1 54 54 GLY CA C 13 48.997 0.15 . . . . . A 54 GLY CA . 25068 1 503 . 1 1 54 54 GLY N N 15 107.755 0.15 . . . . . A 54 GLY N . 25068 1 504 . 1 1 55 55 GLU H H 1 8.089 0.05 . . . . . A 55 GLU H . 25068 1 505 . 1 1 55 55 GLU HA H 1 4.032 0.05 . . . . . A 55 GLU HA . 25068 1 506 . 1 1 55 55 GLU HB2 H 1 1.968 0.05 . . . . . A 55 GLU HB2 . 25068 1 507 . 1 1 55 55 GLU HB3 H 1 2.054 0.05 . . . . . A 55 GLU HB3 . 25068 1 508 . 1 1 55 55 GLU HG2 H 1 2.163 0.05 . . . . . A 55 GLU HG2 . 25068 1 509 . 1 1 55 55 GLU HG3 H 1 2.374 0.05 . . . . . A 55 GLU HG3 . 25068 1 510 . 1 1 55 55 GLU C C 13 179.146 0.15 . . . . . A 55 GLU C . 25068 1 511 . 1 1 55 55 GLU CA C 13 59.958 0.15 . . . . . A 55 GLU CA . 25068 1 512 . 1 1 55 55 GLU CB C 13 30.551 0.15 . . . . . A 55 GLU CB . 25068 1 513 . 1 1 55 55 GLU CG C 13 37.617 0.15 . . . . . A 55 GLU CG . 25068 1 514 . 1 1 55 55 GLU N N 15 122.138 0.15 . . . . . A 55 GLU N . 25068 1 515 . 1 1 56 56 ALA H H 1 7.947 0.05 . . . . . A 56 ALA H . 25068 1 516 . 1 1 56 56 ALA HA H 1 4.107 0.05 . . . . . A 56 ALA HA . 25068 1 517 . 1 1 56 56 ALA HB1 H 1 1.698 0.05 . . . . . A 56 ALA HB1 . 25068 1 518 . 1 1 56 56 ALA HB2 H 1 1.698 0.05 . . . . . A 56 ALA HB2 . 25068 1 519 . 1 1 56 56 ALA HB3 H 1 1.698 0.05 . . . . . A 56 ALA HB3 . 25068 1 520 . 1 1 56 56 ALA C C 13 181.177 0.15 . . . . . A 56 ALA C . 25068 1 521 . 1 1 56 56 ALA CA C 13 56.414 0.15 . . . . . A 56 ALA CA . 25068 1 522 . 1 1 56 56 ALA CB C 13 19.948 0.15 . . . . . A 56 ALA CB . 25068 1 523 . 1 1 56 56 ALA N N 15 122.985 0.15 . . . . . A 56 ALA N . 25068 1 524 . 1 1 57 57 TRP H H 1 8.910 0.05 . . . . . A 57 TRP H . 25068 1 525 . 1 1 57 57 TRP HA H 1 3.940 0.05 . . . . . A 57 TRP HA . 25068 1 526 . 1 1 57 57 TRP HB2 H 1 3.296 0.05 . . . . . A 57 TRP HB2 . 25068 1 527 . 1 1 57 57 TRP HB3 H 1 3.443 0.05 . . . . . A 57 TRP HB3 . 25068 1 528 . 1 1 57 57 TRP HE1 H 1 9.963 0.05 . . . . . A 57 TRP HE1 . 25068 1 529 . 1 1 57 57 TRP C C 13 178.537 0.15 . . . . . A 57 TRP C . 25068 1 530 . 1 1 57 57 TRP CA C 13 60.633 0.15 . . . . . A 57 TRP CA . 25068 1 531 . 1 1 57 57 TRP CB C 13 31.681 0.15 . . . . . A 57 TRP CB . 25068 1 532 . 1 1 57 57 TRP N N 15 120.485 0.15 . . . . . A 57 TRP N . 25068 1 533 . 1 1 57 57 TRP NE1 N 15 127.971 0.15 . . . . . A 57 TRP NE1 . 25068 1 534 . 1 1 58 58 GLY H H 1 7.668 0.05 . . . . . A 58 GLY H . 25068 1 535 . 1 1 58 58 GLY HA2 H 1 3.830 0.05 . . . . . A 58 GLY HA2 . 25068 1 536 . 1 1 58 58 GLY HA3 H 1 3.753 0.05 . . . . . A 58 GLY HA3 . 25068 1 537 . 1 1 58 58 GLY C C 13 174.723 0.15 . . . . . A 58 GLY C . 25068 1 538 . 1 1 58 58 GLY CA C 13 47.091 0.15 . . . . . A 58 GLY CA . 25068 1 539 . 1 1 58 58 GLY N N 15 102.004 0.15 . . . . . A 58 GLY N . 25068 1 540 . 1 1 59 59 GLN H H 1 7.189 0.05 . . . . . A 59 GLN H . 25068 1 541 . 1 1 59 59 GLN HA H 1 4.259 0.05 . . . . . A 59 GLN HA . 25068 1 542 . 1 1 59 59 GLN HB2 H 1 2.205 0.05 . . . . . A 59 GLN HB2 . 25068 1 543 . 1 1 59 59 GLN HB3 H 1 1.899 0.05 . . . . . A 59 GLN HB3 . 25068 1 544 . 1 1 59 59 GLN HG2 H 1 2.332 0.05 . . . . . A 59 GLN HG2 . 25068 1 545 . 1 1 59 59 GLN HG3 H 1 2.402 0.05 . . . . . A 59 GLN HG3 . 25068 1 546 . 1 1 59 59 GLN HE21 H 1 6.767 0.05 . . . . . A 59 GLN HE21 . 25068 1 547 . 1 1 59 59 GLN HE22 H 1 7.374 0.05 . . . . . A 59 GLN HE22 . 25068 1 548 . 1 1 59 59 GLN C C 13 176.221 0.15 . . . . . A 59 GLN C . 25068 1 549 . 1 1 59 59 GLN CA C 13 55.967 0.15 . . . . . A 59 GLN CA . 25068 1 550 . 1 1 59 59 GLN CB C 13 30.741 0.15 . . . . . A 59 GLN CB . 25068 1 551 . 1 1 59 59 GLN CG C 13 34.733 0.15 . . . . . A 59 GLN CG . 25068 1 552 . 1 1 59 59 GLN CD C 13 180.522 0.15 . . . . . A 59 GLN CD . 25068 1 553 . 1 1 59 59 GLN N N 15 116.202 0.15 . . . . . A 59 GLN N . 25068 1 554 . 1 1 59 59 GLN NE2 N 15 112.260 0.15 . . . . . A 59 GLN NE2 . 25068 1 555 . 1 1 60 60 LEU H H 1 6.968 0.05 . . . . . A 60 LEU H . 25068 1 556 . 1 1 60 60 LEU HA H 1 4.185 0.05 . . . . . A 60 LEU HA . 25068 1 557 . 1 1 60 60 LEU HB2 H 1 1.098 0.05 . . . . . A 60 LEU HB2 . 25068 1 558 . 1 1 60 60 LEU HB3 H 1 1.207 0.05 . . . . . A 60 LEU HB3 . 25068 1 559 . 1 1 60 60 LEU HG H 1 1.836 0.05 . . . . . A 60 LEU HG . 25068 1 560 . 1 1 60 60 LEU HD11 H 1 0.652 0.05 . . . . . A 60 LEU HD11 . 25068 1 561 . 1 1 60 60 LEU HD12 H 1 0.652 0.05 . . . . . A 60 LEU HD12 . 25068 1 562 . 1 1 60 60 LEU HD13 H 1 0.652 0.05 . . . . . A 60 LEU HD13 . 25068 1 563 . 1 1 60 60 LEU HD21 H 1 0.438 0.05 . . . . . A 60 LEU HD21 . 25068 1 564 . 1 1 60 60 LEU HD22 H 1 0.438 0.05 . . . . . A 60 LEU HD22 . 25068 1 565 . 1 1 60 60 LEU HD23 H 1 0.438 0.05 . . . . . A 60 LEU HD23 . 25068 1 566 . 1 1 60 60 LEU C C 13 177.372 0.15 . . . . . A 60 LEU C . 25068 1 567 . 1 1 60 60 LEU CA C 13 56.061 0.15 . . . . . A 60 LEU CA . 25068 1 568 . 1 1 60 60 LEU CB C 13 43.696 0.15 . . . . . A 60 LEU CB . 25068 1 569 . 1 1 60 60 LEU CG C 13 26.955 0.15 . . . . . A 60 LEU CG . 25068 1 570 . 1 1 60 60 LEU CD1 C 13 23.520 0.15 . . . . . A 60 LEU CD1 . 25068 1 571 . 1 1 60 60 LEU CD2 C 13 27.353 0.15 . . . . . A 60 LEU CD2 . 25068 1 572 . 1 1 60 60 LEU N N 15 120.776 0.15 . . . . . A 60 LEU N . 25068 1 573 . 1 1 61 61 SER H H 1 8.885 0.05 . . . . . A 61 SER H . 25068 1 574 . 1 1 61 61 SER HA H 1 4.582 0.05 . . . . . A 61 SER HA . 25068 1 575 . 1 1 61 61 SER HB2 H 1 4.261 0.05 . . . . . A 61 SER HB2 . 25068 1 576 . 1 1 61 61 SER HB3 H 1 3.874 0.05 . . . . . A 61 SER HB3 . 25068 1 577 . 1 1 61 61 SER C C 13 173.500 0.15 . . . . . A 61 SER C . 25068 1 578 . 1 1 61 61 SER CA C 13 57.204 0.15 . . . . . A 61 SER CA . 25068 1 579 . 1 1 61 61 SER CB C 13 63.980 0.15 . . . . . A 61 SER CB . 25068 1 580 . 1 1 61 61 SER N N 15 120.432 0.15 . . . . . A 61 SER N . 25068 1 581 . 1 1 63 63 ALA HA H 1 4.089 0.05 . . . . . A 63 ALA HA . 25068 1 582 . 1 1 63 63 ALA HB1 H 1 1.311 0.05 . . . . . A 63 ALA HB1 . 25068 1 583 . 1 1 63 63 ALA HB2 H 1 1.311 0.05 . . . . . A 63 ALA HB2 . 25068 1 584 . 1 1 63 63 ALA HB3 H 1 1.311 0.05 . . . . . A 63 ALA HB3 . 25068 1 585 . 1 1 63 63 ALA C C 13 180.570 0.15 . . . . . A 63 ALA C . 25068 1 586 . 1 1 63 63 ALA CA C 13 56.005 0.15 . . . . . A 63 ALA CA . 25068 1 587 . 1 1 63 63 ALA CB C 13 19.317 0.15 . . . . . A 63 ALA CB . 25068 1 588 . 1 1 64 64 GLN H H 1 7.603 0.05 . . . . . A 64 GLN H . 25068 1 589 . 1 1 64 64 GLN HA H 1 4.122 0.05 . . . . . A 64 GLN HA . 25068 1 590 . 1 1 64 64 GLN HB2 H 1 2.063 0.05 . . . . . A 64 GLN HB2 . 25068 1 591 . 1 1 64 64 GLN HG3 H 1 2.343 0.05 . . . . . A 64 GLN HG3 . 25068 1 592 . 1 1 64 64 GLN HE21 H 1 6.853 0.05 . . . . . A 64 GLN HE21 . 25068 1 593 . 1 1 64 64 GLN HE22 H 1 7.558 0.05 . . . . . A 64 GLN HE22 . 25068 1 594 . 1 1 64 64 GLN C C 13 178.275 0.15 . . . . . A 64 GLN C . 25068 1 595 . 1 1 64 64 GLN CA C 13 58.622 0.15 . . . . . A 64 GLN CA . 25068 1 596 . 1 1 64 64 GLN CB C 13 31.350 0.15 . . . . . A 64 GLN CB . 25068 1 597 . 1 1 64 64 GLN CG C 13 36.112 0.15 . . . . . A 64 GLN CG . 25068 1 598 . 1 1 64 64 GLN CD C 13 179.985 0.15 . . . . . A 64 GLN CD . 25068 1 599 . 1 1 64 64 GLN N N 15 116.774 0.15 . . . . . A 64 GLN N . 25068 1 600 . 1 1 64 64 GLN NE2 N 15 112.490 0.15 . . . . . A 64 GLN NE2 . 25068 1 601 . 1 1 65 65 LYS H H 1 7.810 0.05 . . . . . A 65 LYS H . 25068 1 602 . 1 1 65 65 LYS HA H 1 4.129 0.05 . . . . . A 65 LYS HA . 25068 1 603 . 1 1 65 65 LYS HB2 H 1 1.637 0.05 . . . . . A 65 LYS HB2 . 25068 1 604 . 1 1 65 65 LYS HB3 H 1 1.519 0.05 . . . . . A 65 LYS HB3 . 25068 1 605 . 1 1 65 65 LYS HG2 H 1 0.055 0.05 . . . . . A 65 LYS HG2 . 25068 1 606 . 1 1 65 65 LYS HG3 H 1 0.940 0.05 . . . . . A 65 LYS HG3 . 25068 1 607 . 1 1 65 65 LYS HD2 H 1 0.823 0.05 . . . . . A 65 LYS HD2 . 25068 1 608 . 1 1 65 65 LYS HD3 H 1 0.900 0.05 . . . . . A 65 LYS HD3 . 25068 1 609 . 1 1 65 65 LYS HE3 H 1 2.852 0.05 . . . . . A 65 LYS HE3 . 25068 1 610 . 1 1 65 65 LYS C C 13 178.449 0.15 . . . . . A 65 LYS C . 25068 1 611 . 1 1 65 65 LYS CA C 13 59.891 0.15 . . . . . A 65 LYS CA . 25068 1 612 . 1 1 65 65 LYS CB C 13 34.351 0.15 . . . . . A 65 LYS CB . 25068 1 613 . 1 1 65 65 LYS CG C 13 27.686 0.15 . . . . . A 65 LYS CG . 25068 1 614 . 1 1 65 65 LYS CD C 13 30.278 0.15 . . . . . A 65 LYS CD . 25068 1 615 . 1 1 65 65 LYS CE C 13 42.740 0.15 . . . . . A 65 LYS CE . 25068 1 616 . 1 1 65 65 LYS N N 15 117.203 0.15 . . . . . A 65 LYS N . 25068 1 617 . 1 1 66 66 ALA H H 1 7.469 0.05 . . . . . A 66 ALA H . 25068 1 618 . 1 1 66 66 ALA HA H 1 4.290 0.05 . . . . . A 66 ALA HA . 25068 1 619 . 1 1 66 66 ALA HB1 H 1 1.470 0.05 . . . . . A 66 ALA HB1 . 25068 1 620 . 1 1 66 66 ALA HB2 H 1 1.470 0.05 . . . . . A 66 ALA HB2 . 25068 1 621 . 1 1 66 66 ALA HB3 H 1 1.470 0.05 . . . . . A 66 ALA HB3 . 25068 1 622 . 1 1 66 66 ALA C C 13 176.135 0.15 . . . . . A 66 ALA C . 25068 1 623 . 1 1 66 66 ALA CA C 13 57.745 0.15 . . . . . A 66 ALA CA . 25068 1 624 . 1 1 66 66 ALA CB C 13 17.033 0.15 . . . . . A 66 ALA CB . 25068 1 625 . 1 1 66 66 ALA N N 15 122.218 0.15 . . . . . A 66 ALA N . 25068 1 626 . 1 1 67 67 PRO HA H 1 4.142 0.05 . . . . . A 67 PRO HA . 25068 1 627 . 1 1 67 67 PRO HB2 H 1 1.166 0.05 . . . . . A 67 PRO HB2 . 25068 1 628 . 1 1 67 67 PRO HB3 H 1 2.105 0.05 . . . . . A 67 PRO HB3 . 25068 1 629 . 1 1 67 67 PRO HG2 H 1 1.858 0.05 . . . . . A 67 PRO HG2 . 25068 1 630 . 1 1 67 67 PRO HD3 H 1 3.611 0.05 . . . . . A 67 PRO HD3 . 25068 1 631 . 1 1 67 67 PRO C C 13 179.591 0.15 . . . . . A 67 PRO C . 25068 1 632 . 1 1 67 67 PRO CA C 13 66.960 0.15 . . . . . A 67 PRO CA . 25068 1 633 . 1 1 67 67 PRO CB C 13 32.014 0.15 . . . . . A 67 PRO CB . 25068 1 634 . 1 1 67 67 PRO CG C 13 29.259 0.15 . . . . . A 67 PRO CG . 25068 1 635 . 1 1 67 67 PRO CD C 13 51.254 0.15 . . . . . A 67 PRO CD . 25068 1 636 . 1 1 68 68 TYR H H 1 7.268 0.05 . . . . . A 68 TYR H . 25068 1 637 . 1 1 68 68 TYR HA H 1 3.940 0.05 . . . . . A 68 TYR HA . 25068 1 638 . 1 1 68 68 TYR HB2 H 1 3.262 0.05 . . . . . A 68 TYR HB2 . 25068 1 639 . 1 1 68 68 TYR HB3 H 1 3.723 0.05 . . . . . A 68 TYR HB3 . 25068 1 640 . 1 1 68 68 TYR C C 13 177.733 0.15 . . . . . A 68 TYR C . 25068 1 641 . 1 1 68 68 TYR CA C 13 63.505 0.15 . . . . . A 68 TYR CA . 25068 1 642 . 1 1 68 68 TYR CB C 13 38.503 0.15 . . . . . A 68 TYR CB . 25068 1 643 . 1 1 68 68 TYR N N 15 117.140 0.15 . . . . . A 68 TYR N . 25068 1 644 . 1 1 69 69 GLU H H 1 8.048 0.05 . . . . . A 69 GLU H . 25068 1 645 . 1 1 69 69 GLU HA H 1 4.253 0.05 . . . . . A 69 GLU HA . 25068 1 646 . 1 1 69 69 GLU HB2 H 1 2.183 0.05 . . . . . A 69 GLU HB2 . 25068 1 647 . 1 1 69 69 GLU HB3 H 1 2.035 0.05 . . . . . A 69 GLU HB3 . 25068 1 648 . 1 1 69 69 GLU HG2 H 1 2.333 0.05 . . . . . A 69 GLU HG2 . 25068 1 649 . 1 1 69 69 GLU HG3 H 1 2.233 0.05 . . . . . A 69 GLU HG3 . 25068 1 650 . 1 1 69 69 GLU C C 13 179.805 0.15 . . . . . A 69 GLU C . 25068 1 651 . 1 1 69 69 GLU CA C 13 60.145 0.15 . . . . . A 69 GLU CA . 25068 1 652 . 1 1 69 69 GLU CB C 13 29.808 0.15 . . . . . A 69 GLU CB . 25068 1 653 . 1 1 69 69 GLU CG C 13 36.791 0.15 . . . . . A 69 GLU CG . 25068 1 654 . 1 1 69 69 GLU N N 15 120.747 0.15 . . . . . A 69 GLU N . 25068 1 655 . 1 1 70 70 LYS H H 1 8.301 0.05 . . . . . A 70 LYS H . 25068 1 656 . 1 1 70 70 LYS HA H 1 4.020 0.05 . . . . . A 70 LYS HA . 25068 1 657 . 1 1 70 70 LYS HB3 H 1 1.752 0.05 . . . . . A 70 LYS HB3 . 25068 1 658 . 1 1 70 70 LYS HG3 H 1 1.322 0.05 . . . . . A 70 LYS HG3 . 25068 1 659 . 1 1 70 70 LYS HD3 H 1 1.580 0.05 . . . . . A 70 LYS HD3 . 25068 1 660 . 1 1 70 70 LYS HE3 H 1 2.836 0.05 . . . . . A 70 LYS HE3 . 25068 1 661 . 1 1 70 70 LYS C C 13 178.740 0.15 . . . . . A 70 LYS C . 25068 1 662 . 1 1 70 70 LYS CA C 13 60.202 0.15 . . . . . A 70 LYS CA . 25068 1 663 . 1 1 70 70 LYS CB C 13 32.419 0.15 . . . . . A 70 LYS CB . 25068 1 664 . 1 1 70 70 LYS CG C 13 25.658 0.15 . . . . . A 70 LYS CG . 25068 1 665 . 1 1 70 70 LYS CD C 13 29.771 0.15 . . . . . A 70 LYS CD . 25068 1 666 . 1 1 70 70 LYS CE C 13 43.147 0.15 . . . . . A 70 LYS CE . 25068 1 667 . 1 1 70 70 LYS N N 15 120.938 0.15 . . . . . A 70 LYS N . 25068 1 668 . 1 1 71 71 LYS H H 1 7.234 0.05 . . . . . A 71 LYS H . 25068 1 669 . 1 1 71 71 LYS HA H 1 3.528 0.05 . . . . . A 71 LYS HA . 25068 1 670 . 1 1 71 71 LYS HB2 H 1 1.168 0.05 . . . . . A 71 LYS HB2 . 25068 1 671 . 1 1 71 71 LYS HB3 H 1 0.202 0.05 . . . . . A 71 LYS HB3 . 25068 1 672 . 1 1 71 71 LYS HG2 H 1 1.257 0.05 . . . . . A 71 LYS HG2 . 25068 1 673 . 1 1 71 71 LYS HG3 H 1 0.846 0.05 . . . . . A 71 LYS HG3 . 25068 1 674 . 1 1 71 71 LYS HD2 H 1 1.121 0.05 . . . . . A 71 LYS HD2 . 25068 1 675 . 1 1 71 71 LYS HD3 H 1 1.188 0.05 . . . . . A 71 LYS HD3 . 25068 1 676 . 1 1 71 71 LYS HE3 H 1 2.575 0.05 . . . . . A 71 LYS HE3 . 25068 1 677 . 1 1 71 71 LYS C C 13 179.280 0.15 . . . . . A 71 LYS C . 25068 1 678 . 1 1 71 71 LYS CA C 13 61.146 0.15 . . . . . A 71 LYS CA . 25068 1 679 . 1 1 71 71 LYS CB C 13 32.196 0.15 . . . . . A 71 LYS CB . 25068 1 680 . 1 1 71 71 LYS CG C 13 26.505 0.15 . . . . . A 71 LYS CG . 25068 1 681 . 1 1 71 71 LYS CD C 13 30.850 0.15 . . . . . A 71 LYS CD . 25068 1 682 . 1 1 71 71 LYS CE C 13 42.849 0.15 . . . . . A 71 LYS CE . 25068 1 683 . 1 1 71 71 LYS N N 15 118.427 0.15 . . . . . A 71 LYS N . 25068 1 684 . 1 1 72 72 ALA H H 1 7.890 0.05 . . . . . A 72 ALA H . 25068 1 685 . 1 1 72 72 ALA HA H 1 4.357 0.05 . . . . . A 72 ALA HA . 25068 1 686 . 1 1 72 72 ALA HB1 H 1 1.684 0.05 . . . . . A 72 ALA HB1 . 25068 1 687 . 1 1 72 72 ALA HB2 H 1 1.684 0.05 . . . . . A 72 ALA HB2 . 25068 1 688 . 1 1 72 72 ALA HB3 H 1 1.684 0.05 . . . . . A 72 ALA HB3 . 25068 1 689 . 1 1 72 72 ALA C C 13 180.468 0.15 . . . . . A 72 ALA C . 25068 1 690 . 1 1 72 72 ALA CA C 13 56.457 0.15 . . . . . A 72 ALA CA . 25068 1 691 . 1 1 72 72 ALA CB C 13 19.562 0.15 . . . . . A 72 ALA CB . 25068 1 692 . 1 1 72 72 ALA N N 15 122.126 0.15 . . . . . A 72 ALA N . 25068 1 693 . 1 1 73 73 GLN H H 1 8.353 0.05 . . . . . A 73 GLN H . 25068 1 694 . 1 1 73 73 GLN HA H 1 4.029 0.05 . . . . . A 73 GLN HA . 25068 1 695 . 1 1 73 73 GLN HB3 H 1 2.211 0.05 . . . . . A 73 GLN HB3 . 25068 1 696 . 1 1 73 73 GLN HG2 H 1 2.396 0.05 . . . . . A 73 GLN HG2 . 25068 1 697 . 1 1 73 73 GLN HG3 H 1 2.500 0.05 . . . . . A 73 GLN HG3 . 25068 1 698 . 1 1 73 73 GLN HE21 H 1 6.804 0.05 . . . . . A 73 GLN HE21 . 25068 1 699 . 1 1 73 73 GLN HE22 H 1 7.423 0.05 . . . . . A 73 GLN HE22 . 25068 1 700 . 1 1 73 73 GLN C C 13 179.576 0.15 . . . . . A 73 GLN C . 25068 1 701 . 1 1 73 73 GLN CA C 13 60.427 0.15 . . . . . A 73 GLN CA . 25068 1 702 . 1 1 73 73 GLN CB C 13 28.732 0.15 . . . . . A 73 GLN CB . 25068 1 703 . 1 1 73 73 GLN CG C 13 34.517 0.15 . . . . . A 73 GLN CG . 25068 1 704 . 1 1 73 73 GLN CD C 13 179.907 0.15 . . . . . A 73 GLN CD . 25068 1 705 . 1 1 73 73 GLN N N 15 121.659 0.15 . . . . . A 73 GLN N . 25068 1 706 . 1 1 73 73 GLN NE2 N 15 111.672 0.15 . . . . . A 73 GLN NE2 . 25068 1 707 . 1 1 74 74 LEU H H 1 8.160 0.05 . . . . . A 74 LEU H . 25068 1 708 . 1 1 74 74 LEU HA H 1 4.046 0.05 . . . . . A 74 LEU HA . 25068 1 709 . 1 1 74 74 LEU HB2 H 1 1.787 0.05 . . . . . A 74 LEU HB2 . 25068 1 710 . 1 1 74 74 LEU HB3 H 1 1.462 0.05 . . . . . A 74 LEU HB3 . 25068 1 711 . 1 1 74 74 LEU HG H 1 1.724 0.05 . . . . . A 74 LEU HG . 25068 1 712 . 1 1 74 74 LEU HD11 H 1 0.788 0.05 . . . . . A 74 LEU HD11 . 25068 1 713 . 1 1 74 74 LEU HD12 H 1 0.788 0.05 . . . . . A 74 LEU HD12 . 25068 1 714 . 1 1 74 74 LEU HD13 H 1 0.788 0.05 . . . . . A 74 LEU HD13 . 25068 1 715 . 1 1 74 74 LEU HD21 H 1 0.809 0.05 . . . . . A 74 LEU HD21 . 25068 1 716 . 1 1 74 74 LEU HD22 H 1 0.809 0.05 . . . . . A 74 LEU HD22 . 25068 1 717 . 1 1 74 74 LEU HD23 H 1 0.809 0.05 . . . . . A 74 LEU HD23 . 25068 1 718 . 1 1 74 74 LEU C C 13 180.424 0.15 . . . . . A 74 LEU C . 25068 1 719 . 1 1 74 74 LEU CA C 13 58.675 0.15 . . . . . A 74 LEU CA . 25068 1 720 . 1 1 74 74 LEU CB C 13 42.376 0.15 . . . . . A 74 LEU CB . 25068 1 721 . 1 1 74 74 LEU CG C 13 27.917 0.15 . . . . . A 74 LEU CG . 25068 1 722 . 1 1 74 74 LEU CD1 C 13 26.226 0.15 . . . . . A 74 LEU CD1 . 25068 1 723 . 1 1 74 74 LEU CD2 C 13 23.715 0.15 . . . . . A 74 LEU CD2 . 25068 1 724 . 1 1 74 74 LEU N N 15 119.752 0.15 . . . . . A 74 LEU N . 25068 1 725 . 1 1 75 75 ASP H H 1 8.361 0.05 . . . . . A 75 ASP H . 25068 1 726 . 1 1 75 75 ASP HA H 1 4.988 0.05 . . . . . A 75 ASP HA . 25068 1 727 . 1 1 75 75 ASP HB3 H 1 3.027 0.05 . . . . . A 75 ASP HB3 . 25068 1 728 . 1 1 75 75 ASP C C 13 178.046 0.15 . . . . . A 75 ASP C . 25068 1 729 . 1 1 75 75 ASP CA C 13 58.191 0.15 . . . . . A 75 ASP CA . 25068 1 730 . 1 1 75 75 ASP CB C 13 42.958 0.15 . . . . . A 75 ASP CB . 25068 1 731 . 1 1 75 75 ASP N N 15 122.159 0.15 . . . . . A 75 ASP N . 25068 1 732 . 1 1 76 76 LYS H H 1 7.940 0.05 . . . . . A 76 LYS H . 25068 1 733 . 1 1 76 76 LYS HA H 1 3.988 0.05 . . . . . A 76 LYS HA . 25068 1 734 . 1 1 76 76 LYS HB3 H 1 1.992 0.05 . . . . . A 76 LYS HB3 . 25068 1 735 . 1 1 76 76 LYS HG3 H 1 1.371 0.05 . . . . . A 76 LYS HG3 . 25068 1 736 . 1 1 76 76 LYS HD3 H 1 1.639 0.05 . . . . . A 76 LYS HD3 . 25068 1 737 . 1 1 76 76 LYS C C 13 179.668 0.15 . . . . . A 76 LYS C . 25068 1 738 . 1 1 76 76 LYS CA C 13 60.984 0.15 . . . . . A 76 LYS CA . 25068 1 739 . 1 1 76 76 LYS CB C 13 33.124 0.15 . . . . . A 76 LYS CB . 25068 1 740 . 1 1 76 76 LYS CG C 13 26.441 0.15 . . . . . A 76 LYS CG . 25068 1 741 . 1 1 76 76 LYS CD C 13 30.527 0.15 . . . . . A 76 LYS CD . 25068 1 742 . 1 1 76 76 LYS CE C 13 43.119 0.15 . . . . . A 76 LYS CE . 25068 1 743 . 1 1 76 76 LYS N N 15 119.861 0.15 . . . . . A 76 LYS N . 25068 1 744 . 1 1 77 77 VAL H H 1 7.401 0.05 . . . . . A 77 VAL H . 25068 1 745 . 1 1 77 77 VAL HA H 1 3.687 0.05 . . . . . A 77 VAL HA . 25068 1 746 . 1 1 77 77 VAL HB H 1 2.212 0.05 . . . . . A 77 VAL HB . 25068 1 747 . 1 1 77 77 VAL HG11 H 1 0.918 0.05 . . . . . A 77 VAL HG11 . 25068 1 748 . 1 1 77 77 VAL HG12 H 1 0.918 0.05 . . . . . A 77 VAL HG12 . 25068 1 749 . 1 1 77 77 VAL HG13 H 1 0.918 0.05 . . . . . A 77 VAL HG13 . 25068 1 750 . 1 1 77 77 VAL HG21 H 1 1.062 0.05 . . . . . A 77 VAL HG21 . 25068 1 751 . 1 1 77 77 VAL HG22 H 1 1.062 0.05 . . . . . A 77 VAL HG22 . 25068 1 752 . 1 1 77 77 VAL HG23 H 1 1.062 0.05 . . . . . A 77 VAL HG23 . 25068 1 753 . 1 1 77 77 VAL C C 13 178.070 0.15 . . . . . A 77 VAL C . 25068 1 754 . 1 1 77 77 VAL CA C 13 67.359 0.15 . . . . . A 77 VAL CA . 25068 1 755 . 1 1 77 77 VAL CB C 13 32.645 0.15 . . . . . A 77 VAL CB . 25068 1 756 . 1 1 77 77 VAL CG1 C 13 22.080 0.15 . . . . . A 77 VAL CG1 . 25068 1 757 . 1 1 77 77 VAL CG2 C 13 23.263 0.15 . . . . . A 77 VAL CG2 . 25068 1 758 . 1 1 77 77 VAL N N 15 121.485 0.15 . . . . . A 77 VAL N . 25068 1 759 . 1 1 78 78 ARG H H 1 7.813 0.05 . . . . . A 78 ARG H . 25068 1 760 . 1 1 78 78 ARG HA H 1 4.010 0.05 . . . . . A 78 ARG HA . 25068 1 761 . 1 1 78 78 ARG HB2 H 1 2.484 0.05 . . . . . A 78 ARG HB2 . 25068 1 762 . 1 1 78 78 ARG HB3 H 1 1.952 0.05 . . . . . A 78 ARG HB3 . 25068 1 763 . 1 1 78 78 ARG HG2 H 1 1.878 0.05 . . . . . A 78 ARG HG2 . 25068 1 764 . 1 1 78 78 ARG HG3 H 1 1.714 0.05 . . . . . A 78 ARG HG3 . 25068 1 765 . 1 1 78 78 ARG HD2 H 1 3.001 0.05 . . . . . A 78 ARG HD2 . 25068 1 766 . 1 1 78 78 ARG HD3 H 1 3.114 0.05 . . . . . A 78 ARG HD3 . 25068 1 767 . 1 1 78 78 ARG C C 13 179.144 0.15 . . . . . A 78 ARG C . 25068 1 768 . 1 1 78 78 ARG CA C 13 60.598 0.15 . . . . . A 78 ARG CA . 25068 1 769 . 1 1 78 78 ARG CB C 13 28.352 0.15 . . . . . A 78 ARG CB . 25068 1 770 . 1 1 78 78 ARG CG C 13 26.063 0.15 . . . . . A 78 ARG CG . 25068 1 771 . 1 1 78 78 ARG CD C 13 43.103 0.15 . . . . . A 78 ARG CD . 25068 1 772 . 1 1 78 78 ARG N N 15 121.960 0.15 . . . . . A 78 ARG N . 25068 1 773 . 1 1 79 79 TYR H H 1 8.608 0.05 . . . . . A 79 TYR H . 25068 1 774 . 1 1 79 79 TYR HA H 1 3.878 0.05 . . . . . A 79 TYR HA . 25068 1 775 . 1 1 79 79 TYR HB2 H 1 3.083 0.05 . . . . . A 79 TYR HB2 . 25068 1 776 . 1 1 79 79 TYR HB3 H 1 2.986 0.05 . . . . . A 79 TYR HB3 . 25068 1 777 . 1 1 79 79 TYR C C 13 176.080 0.15 . . . . . A 79 TYR C . 25068 1 778 . 1 1 79 79 TYR CA C 13 63.669 0.15 . . . . . A 79 TYR CA . 25068 1 779 . 1 1 79 79 TYR CB C 13 39.758 0.15 . . . . . A 79 TYR CB . 25068 1 780 . 1 1 79 79 TYR N N 15 120.411 0.15 . . . . . A 79 TYR N . 25068 1 781 . 1 1 80 80 SER H H 1 8.234 0.05 . . . . . A 80 SER H . 25068 1 782 . 1 1 80 80 SER HA H 1 3.880 0.05 . . . . . A 80 SER HA . 25068 1 783 . 1 1 80 80 SER HB3 H 1 3.930 0.05 . . . . . A 80 SER HB3 . 25068 1 784 . 1 1 80 80 SER C C 13 176.794 0.15 . . . . . A 80 SER C . 25068 1 785 . 1 1 80 80 SER CA C 13 62.969 0.15 . . . . . A 80 SER CA . 25068 1 786 . 1 1 80 80 SER CB C 13 63.605 0.15 . . . . . A 80 SER CB . 25068 1 787 . 1 1 80 80 SER N N 15 113.726 0.15 . . . . . A 80 SER N . 25068 1 788 . 1 1 81 81 LYS H H 1 7.958 0.05 . . . . . A 81 LYS H . 25068 1 789 . 1 1 81 81 LYS HA H 1 4.029 0.05 . . . . . A 81 LYS HA . 25068 1 790 . 1 1 81 81 LYS HB3 H 1 1.904 0.05 . . . . . A 81 LYS HB3 . 25068 1 791 . 1 1 81 81 LYS HG3 H 1 1.357 0.05 . . . . . A 81 LYS HG3 . 25068 1 792 . 1 1 81 81 LYS HD3 H 1 1.570 0.05 . . . . . A 81 LYS HD3 . 25068 1 793 . 1 1 81 81 LYS HE3 H 1 2.866 0.05 . . . . . A 81 LYS HE3 . 25068 1 794 . 1 1 81 81 LYS C C 13 179.342 0.15 . . . . . A 81 LYS C . 25068 1 795 . 1 1 81 81 LYS CA C 13 60.138 0.15 . . . . . A 81 LYS CA . 25068 1 796 . 1 1 81 81 LYS CB C 13 33.238 0.15 . . . . . A 81 LYS CB . 25068 1 797 . 1 1 81 81 LYS CG C 13 25.911 0.15 . . . . . A 81 LYS CG . 25068 1 798 . 1 1 81 81 LYS CD C 13 30.174 0.15 . . . . . A 81 LYS CD . 25068 1 799 . 1 1 81 81 LYS CE C 13 43.150 0.15 . . . . . A 81 LYS CE . 25068 1 800 . 1 1 81 81 LYS N N 15 121.920 0.15 . . . . . A 81 LYS N . 25068 1 801 . 1 1 82 82 GLU H H 1 8.310 0.05 . . . . . A 82 GLU H . 25068 1 802 . 1 1 82 82 GLU HA H 1 3.945 0.05 . . . . . A 82 GLU HA . 25068 1 803 . 1 1 82 82 GLU HB2 H 1 1.963 0.05 . . . . . A 82 GLU HB2 . 25068 1 804 . 1 1 82 82 GLU HB3 H 1 1.764 0.05 . . . . . A 82 GLU HB3 . 25068 1 805 . 1 1 82 82 GLU HG2 H 1 2.075 0.05 . . . . . A 82 GLU HG2 . 25068 1 806 . 1 1 82 82 GLU HG3 H 1 2.578 0.05 . . . . . A 82 GLU HG3 . 25068 1 807 . 1 1 82 82 GLU C C 13 180.689 0.15 . . . . . A 82 GLU C . 25068 1 808 . 1 1 82 82 GLU CA C 13 60.920 0.15 . . . . . A 82 GLU CA . 25068 1 809 . 1 1 82 82 GLU CB C 13 30.885 0.15 . . . . . A 82 GLU CB . 25068 1 810 . 1 1 82 82 GLU CG C 13 38.603 0.15 . . . . . A 82 GLU CG . 25068 1 811 . 1 1 82 82 GLU N N 15 119.515 0.15 . . . . . A 82 GLU N . 25068 1 812 . 1 1 83 83 ILE H H 1 8.887 0.05 . . . . . A 83 ILE H . 25068 1 813 . 1 1 83 83 ILE HA H 1 3.889 0.05 . . . . . A 83 ILE HA . 25068 1 814 . 1 1 83 83 ILE HB H 1 1.353 0.05 . . . . . A 83 ILE HB . 25068 1 815 . 1 1 83 83 ILE HG13 H 1 1.020 0.05 . . . . . A 83 ILE HG13 . 25068 1 816 . 1 1 83 83 ILE HG21 H 1 0.753 0.05 . . . . . A 83 ILE HG21 . 25068 1 817 . 1 1 83 83 ILE HG22 H 1 0.753 0.05 . . . . . A 83 ILE HG22 . 25068 1 818 . 1 1 83 83 ILE HG23 H 1 0.753 0.05 . . . . . A 83 ILE HG23 . 25068 1 819 . 1 1 83 83 ILE HD11 H 1 0.611 0.05 . . . . . A 83 ILE HD11 . 25068 1 820 . 1 1 83 83 ILE HD12 H 1 0.611 0.05 . . . . . A 83 ILE HD12 . 25068 1 821 . 1 1 83 83 ILE HD13 H 1 0.611 0.05 . . . . . A 83 ILE HD13 . 25068 1 822 . 1 1 83 83 ILE C C 13 177.207 0.15 . . . . . A 83 ILE C . 25068 1 823 . 1 1 83 83 ILE CA C 13 62.754 0.15 . . . . . A 83 ILE CA . 25068 1 824 . 1 1 83 83 ILE CB C 13 37.651 0.15 . . . . . A 83 ILE CB . 25068 1 825 . 1 1 83 83 ILE CG1 C 13 28.884 0.15 . . . . . A 83 ILE CG1 . 25068 1 826 . 1 1 83 83 ILE CG2 C 13 19.487 0.15 . . . . . A 83 ILE CG2 . 25068 1 827 . 1 1 83 83 ILE CD1 C 13 13.445 0.15 . . . . . A 83 ILE CD1 . 25068 1 828 . 1 1 83 83 ILE N N 15 121.362 0.15 . . . . . A 83 ILE N . 25068 1 829 . 1 1 84 84 GLU H H 1 7.289 0.05 . . . . . A 84 GLU H . 25068 1 830 . 1 1 84 84 GLU HA H 1 4.028 0.05 . . . . . A 84 GLU HA . 25068 1 831 . 1 1 84 84 GLU HB2 H 1 2.026 0.05 . . . . . A 84 GLU HB2 . 25068 1 832 . 1 1 84 84 GLU HG3 H 1 2.271 0.05 . . . . . A 84 GLU HG3 . 25068 1 833 . 1 1 84 84 GLU C C 13 179.047 0.15 . . . . . A 84 GLU C . 25068 1 834 . 1 1 84 84 GLU CA C 13 60.045 0.15 . . . . . A 84 GLU CA . 25068 1 835 . 1 1 84 84 GLU CB C 13 30.099 0.15 . . . . . A 84 GLU CB . 25068 1 836 . 1 1 84 84 GLU CG C 13 36.960 0.15 . . . . . A 84 GLU CG . 25068 1 837 . 1 1 84 84 GLU N N 15 122.327 0.15 . . . . . A 84 GLU N . 25068 1 838 . 1 1 85 85 GLU H H 1 7.545 0.05 . . . . . A 85 GLU H . 25068 1 839 . 1 1 85 85 GLU HA H 1 3.966 0.05 . . . . . A 85 GLU HA . 25068 1 840 . 1 1 85 85 GLU HB2 H 1 2.009 0.05 . . . . . A 85 GLU HB2 . 25068 1 841 . 1 1 85 85 GLU HG2 H 1 2.220 0.05 . . . . . A 85 GLU HG2 . 25068 1 842 . 1 1 85 85 GLU HG3 H 1 2.303 0.05 . . . . . A 85 GLU HG3 . 25068 1 843 . 1 1 85 85 GLU C C 13 178.614 0.15 . . . . . A 85 GLU C . 25068 1 844 . 1 1 85 85 GLU CA C 13 59.997 0.15 . . . . . A 85 GLU CA . 25068 1 845 . 1 1 85 85 GLU CB C 13 30.453 0.15 . . . . . A 85 GLU CB . 25068 1 846 . 1 1 85 85 GLU CG C 13 37.034 0.15 . . . . . A 85 GLU CG . 25068 1 847 . 1 1 85 85 GLU N N 15 118.046 0.15 . . . . . A 85 GLU N . 25068 1 848 . 1 1 86 86 TYR H H 1 8.277 0.05 . . . . . A 86 TYR H . 25068 1 849 . 1 1 86 86 TYR HA H 1 4.094 0.05 . . . . . A 86 TYR HA . 25068 1 850 . 1 1 86 86 TYR HB2 H 1 2.992 0.05 . . . . . A 86 TYR HB2 . 25068 1 851 . 1 1 86 86 TYR HB3 H 1 3.082 0.05 . . . . . A 86 TYR HB3 . 25068 1 852 . 1 1 86 86 TYR C C 13 177.815 0.15 . . . . . A 86 TYR C . 25068 1 853 . 1 1 86 86 TYR CA C 13 62.072 0.15 . . . . . A 86 TYR CA . 25068 1 854 . 1 1 86 86 TYR CB C 13 39.954 0.15 . . . . . A 86 TYR CB . 25068 1 855 . 1 1 86 86 TYR N N 15 121.050 0.15 . . . . . A 86 TYR N . 25068 1 856 . 1 1 87 87 ARG H H 1 8.249 0.05 . . . . . A 87 ARG H . 25068 1 857 . 1 1 87 87 ARG HA H 1 3.877 0.05 . . . . . A 87 ARG HA . 25068 1 858 . 1 1 87 87 ARG HB2 H 1 1.809 0.05 . . . . . A 87 ARG HB2 . 25068 1 859 . 1 1 87 87 ARG HG3 H 1 1.610 0.05 . . . . . A 87 ARG HG3 . 25068 1 860 . 1 1 87 87 ARG HD2 H 1 3.076 0.05 . . . . . A 87 ARG HD2 . 25068 1 861 . 1 1 87 87 ARG C C 13 178.067 0.15 . . . . . A 87 ARG C . 25068 1 862 . 1 1 87 87 ARG CA C 13 59.513 0.15 . . . . . A 87 ARG CA . 25068 1 863 . 1 1 87 87 ARG CB C 13 31.053 0.15 . . . . . A 87 ARG CB . 25068 1 864 . 1 1 87 87 ARG CG C 13 28.819 0.15 . . . . . A 87 ARG CG . 25068 1 865 . 1 1 87 87 ARG CD C 13 44.600 0.15 . . . . . A 87 ARG CD . 25068 1 866 . 1 1 87 87 ARG N N 15 118.353 0.15 . . . . . A 87 ARG N . 25068 1 867 . 1 1 88 88 LYS H H 1 7.465 0.05 . . . . . A 88 LYS H . 25068 1 868 . 1 1 88 88 LYS HA H 1 3.982 0.05 . . . . . A 88 LYS HA . 25068 1 869 . 1 1 88 88 LYS HB3 H 1 1.780 0.05 . . . . . A 88 LYS HB3 . 25068 1 870 . 1 1 88 88 LYS HG3 H 1 1.338 0.05 . . . . . A 88 LYS HG3 . 25068 1 871 . 1 1 88 88 LYS HD3 H 1 1.568 0.05 . . . . . A 88 LYS HD3 . 25068 1 872 . 1 1 88 88 LYS HE3 H 1 2.863 0.05 . . . . . A 88 LYS HE3 . 25068 1 873 . 1 1 88 88 LYS C C 13 178.050 0.15 . . . . . A 88 LYS C . 25068 1 874 . 1 1 88 88 LYS CA C 13 59.265 0.15 . . . . . A 88 LYS CA . 25068 1 875 . 1 1 88 88 LYS CB C 13 33.499 0.15 . . . . . A 88 LYS CB . 25068 1 876 . 1 1 88 88 LYS CG C 13 26.185 0.15 . . . . . A 88 LYS CG . 25068 1 877 . 1 1 88 88 LYS CD C 13 30.315 0.15 . . . . . A 88 LYS CD . 25068 1 878 . 1 1 88 88 LYS CE C 13 43.142 0.15 . . . . . A 88 LYS CE . 25068 1 879 . 1 1 88 88 LYS N N 15 118.205 0.15 . . . . . A 88 LYS N . 25068 1 880 . 1 1 89 89 LYS H H 1 7.580 0.05 . . . . . A 89 LYS H . 25068 1 881 . 1 1 89 89 LYS HA H 1 4.084 0.05 . . . . . A 89 LYS HA . 25068 1 882 . 1 1 89 89 LYS HB3 H 1 1.649 0.05 . . . . . A 89 LYS HB3 . 25068 1 883 . 1 1 89 89 LYS HG3 H 1 1.334 0.05 . . . . . A 89 LYS HG3 . 25068 1 884 . 1 1 89 89 LYS HD3 H 1 1.553 0.05 . . . . . A 89 LYS HD3 . 25068 1 885 . 1 1 89 89 LYS HE3 H 1 2.853 0.05 . . . . . A 89 LYS HE3 . 25068 1 886 . 1 1 89 89 LYS C C 13 176.691 0.15 . . . . . A 89 LYS C . 25068 1 887 . 1 1 89 89 LYS CA C 13 58.188 0.15 . . . . . A 89 LYS CA . 25068 1 888 . 1 1 89 89 LYS CB C 13 33.809 0.15 . . . . . A 89 LYS CB . 25068 1 889 . 1 1 89 89 LYS CG C 13 25.785 0.15 . . . . . A 89 LYS CG . 25068 1 890 . 1 1 89 89 LYS CD C 13 29.972 0.15 . . . . . A 89 LYS CD . 25068 1 891 . 1 1 89 89 LYS CE C 13 43.121 0.15 . . . . . A 89 LYS CE . 25068 1 892 . 1 1 89 89 LYS N N 15 118.341 0.15 . . . . . A 89 LYS N . 25068 1 893 . 1 1 90 90 ASN H H 1 7.741 0.05 . . . . . A 90 ASN H . 25068 1 894 . 1 1 90 90 ASN HA H 1 4.563 0.05 . . . . . A 90 ASN HA . 25068 1 895 . 1 1 90 90 ASN HB2 H 1 2.312 0.05 . . . . . A 90 ASN HB2 . 25068 1 896 . 1 1 90 90 ASN HB3 H 1 2.549 0.05 . . . . . A 90 ASN HB3 . 25068 1 897 . 1 1 90 90 ASN HD21 H 1 6.996 0.05 . . . . . A 90 ASN HD21 . 25068 1 898 . 1 1 90 90 ASN HD22 H 1 6.496 0.05 . . . . . A 90 ASN HD22 . 25068 1 899 . 1 1 90 90 ASN C C 13 174.419 0.15 . . . . . A 90 ASN C . 25068 1 900 . 1 1 90 90 ASN CA C 13 54.433 0.15 . . . . . A 90 ASN CA . 25068 1 901 . 1 1 90 90 ASN CB C 13 40.182 0.15 . . . . . A 90 ASN CB . 25068 1 902 . 1 1 90 90 ASN CG C 13 176.861 0.15 . . . . . A 90 ASN CG . 25068 1 903 . 1 1 90 90 ASN N N 15 117.604 0.15 . . . . . A 90 ASN N . 25068 1 904 . 1 1 90 90 ASN ND2 N 15 113.661 0.15 . . . . . A 90 ASN ND2 . 25068 1 905 . 1 1 91 91 GLN H H 1 7.925 0.05 . . . . . A 91 GLN H . 25068 1 906 . 1 1 91 91 GLN HA H 1 4.213 0.05 . . . . . A 91 GLN HA . 25068 1 907 . 1 1 91 91 GLN HB2 H 1 1.907 0.05 . . . . . A 91 GLN HB2 . 25068 1 908 . 1 1 91 91 GLN HB3 H 1 2.056 0.05 . . . . . A 91 GLN HB3 . 25068 1 909 . 1 1 91 91 GLN HG3 H 1 2.275 0.05 . . . . . A 91 GLN HG3 . 25068 1 910 . 1 1 91 91 GLN HE21 H 1 6.719 0.05 . . . . . A 91 GLN HE21 . 25068 1 911 . 1 1 91 91 GLN HE22 H 1 7.487 0.05 . . . . . A 91 GLN HE22 . 25068 1 912 . 1 1 91 91 GLN C C 13 174.970 0.15 . . . . . A 91 GLN C . 25068 1 913 . 1 1 91 91 GLN CA C 13 57.011 0.15 . . . . . A 91 GLN CA . 25068 1 914 . 1 1 91 91 GLN CB C 13 30.358 0.15 . . . . . A 91 GLN CB . 25068 1 915 . 1 1 91 91 GLN CG C 13 34.805 0.15 . . . . . A 91 GLN CG . 25068 1 916 . 1 1 91 91 GLN CD C 13 180.724 0.15 . . . . . A 91 GLN CD . 25068 1 917 . 1 1 91 91 GLN N N 15 111.990 0.15 . . . . . A 91 GLN N . 25068 1 918 . 1 1 91 91 GLN NE2 N 15 112.505 0.15 . . . . . A 91 GLN NE2 . 25068 1 919 . 1 1 92 92 GLU H H 1 7.927 0.05 . . . . . A 92 GLU H . 25068 1 920 . 1 1 92 92 GLU HA H 1 4.017 0.05 . . . . . A 92 GLU HA . 25068 1 921 . 1 1 92 92 GLU HB2 H 1 1.784 0.05 . . . . . A 92 GLU HB2 . 25068 1 922 . 1 1 92 92 GLU HB3 H 1 1.943 0.05 . . . . . A 92 GLU HB3 . 25068 1 923 . 1 1 92 92 GLU HG3 H 1 2.109 0.05 . . . . . A 92 GLU HG3 . 25068 1 924 . 1 1 92 92 GLU C C 13 181.150 0.15 . . . . . A 92 GLU C . 25068 1 925 . 1 1 92 92 GLU CA C 13 59.154 0.15 . . . . . A 92 GLU CA . 25068 1 926 . 1 1 92 92 GLU CB C 13 31.798 0.15 . . . . . A 92 GLU CB . 25068 1 927 . 1 1 92 92 GLU CG C 13 37.928 0.15 . . . . . A 92 GLU CG . 25068 1 928 . 1 1 92 92 GLU N N 15 127.233 0.15 . . . . . A 92 GLU N . 25068 1 stop_ save_