data_7175 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7175 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for Bacillus Subilis YorP ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-06-19 _Entry.Accession_date 2006-06-19 _Entry.Last_release_date 2006-08-14 _Entry.Original_release_date 2006-08-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Theresa Ramelot . A. . 7175 2 Michael Kennedy . A. . 7175 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7175 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 362 7175 '15N chemical shifts' 81 7175 '1H chemical shifts' 557 7175 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 . . 2006-08-14 2006-06-19 original author . 7175 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7175 _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 of YorP from Bacillus sbutilis' _Citation.Status submitted _Citation.Type 'BMRB only' _Citation.Journal_abbrev . _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 Theresa Ramelot . A. . 7175 1 2 Michael Kennedy . A. . 7175 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7175 _Assembly.ID 1 _Assembly.Name YorP _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 9542 _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 protein 1 $YorP . . no native no no . . . 7175 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_YorP _Entity.Sf_category entity _Entity.Sf_framecode YorP _Entity.Entry_ID 7175 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name YorP _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MAGDPLPKYWSYPVGLAVEI NNNARYGCPHHVGRKGKIIE HLHSATYDYAVSDETGDITY FKEHELTPLKGGLAYVLEHH HHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; N-term non-native res: MAGDPL C-term: CLEHHHHHH ; _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 84 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 2HEQ . "Nmr Structure Of Bacillus Subtilis Protein Yorp, Northeast Structural Genomics Target Sr399" . . . . . 100.00 84 100.00 100.00 1.31e-53 . . . . 7175 1 2 no EMBL CAB13922 . "hypothetical protein; phage SPbeta [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 84.52 71 98.59 100.00 1.28e-43 . . . . 7175 1 3 no EMBL CEI57236 . "SPBc2 prophage-derived uncharacterized protein YorP [Bacillus subtilis]" . . . . . 84.52 71 98.59 100.00 1.28e-43 . . . . 7175 1 4 no EMBL CEJ77661 . "SPBc2 prophage-derived uncharacterized protein YorP [Bacillus sp.]" . . . . . 84.52 71 98.59 100.00 1.28e-43 . . . . 7175 1 5 no GB AAC13110 . "unknown [Bacillus phage SPbeta]" . . . . . 84.52 71 98.59 100.00 1.28e-43 . . . . 7175 1 6 no GB AGG61418 . "phage SPbeta [Bacillus subtilis subsp. subtilis 6051-HGW]" . . . . . 84.52 71 98.59 100.00 1.28e-43 . . . . 7175 1 7 no GB AIC40467 . "hypothetical protein BSUA_02187 [Bacillus subtilis subsp. subtilis str. JH642 substr. AG174]" . . . . . 84.52 71 98.59 100.00 1.28e-43 . . . . 7175 1 8 no GB AIC44699 . "yorP [Bacillus subtilis subsp. subtilis str. AG1839]" . . . . . 84.52 71 98.59 100.00 1.28e-43 . . . . 7175 1 9 no GB AIY95507 . "hypothetical protein QU35_11185 [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 84.52 71 98.59 100.00 1.28e-43 . . . . 7175 1 10 no REF NP_046689 . "hypothetical protein SPBc2p137 [Bacillus phage SPBc2]" . . . . . 84.52 71 98.59 100.00 1.28e-43 . . . . 7175 1 11 no REF NP_389912 . "hypothetical protein BSU20300 [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 84.52 71 98.59 100.00 1.28e-43 . . . . 7175 1 12 no REF WP_009967472 . "hypothetical protein [Bacillus subtilis]" . . . . . 84.52 71 98.59 100.00 1.28e-43 . . . . 7175 1 13 no REF WP_019712328 . "hypothetical protein [Bacillus subtilis]" . . . . . 84.52 71 97.18 98.59 5.04e-43 . . . . 7175 1 14 no REF YP_007534001 . "phage SPbeta [Bacillus subtilis subsp. subtilis 6051-HGW]" . . . . . 84.52 71 98.59 100.00 1.28e-43 . . . . 7175 1 15 no SP O31898 . "RecName: Full=SPBc2 prophage-derived uncharacterized protein YorP [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 84.52 71 98.59 100.00 1.28e-43 . . . . 7175 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 . 7175 1 2 . ALA . 7175 1 3 . GLY . 7175 1 4 . ASP . 7175 1 5 . PRO . 7175 1 6 . LEU . 7175 1 7 . PRO . 7175 1 8 . LYS . 7175 1 9 . TYR . 7175 1 10 . TRP . 7175 1 11 . SER . 7175 1 12 . TYR . 7175 1 13 . PRO . 7175 1 14 . VAL . 7175 1 15 . GLY . 7175 1 16 . LEU . 7175 1 17 . ALA . 7175 1 18 . VAL . 7175 1 19 . GLU . 7175 1 20 . ILE . 7175 1 21 . ASN . 7175 1 22 . ASN . 7175 1 23 . ASN . 7175 1 24 . ALA . 7175 1 25 . ARG . 7175 1 26 . TYR . 7175 1 27 . GLY . 7175 1 28 . CYS . 7175 1 29 . PRO . 7175 1 30 . HIS . 7175 1 31 . HIS . 7175 1 32 . VAL . 7175 1 33 . GLY . 7175 1 34 . ARG . 7175 1 35 . LYS . 7175 1 36 . GLY . 7175 1 37 . LYS . 7175 1 38 . ILE . 7175 1 39 . ILE . 7175 1 40 . GLU . 7175 1 41 . HIS . 7175 1 42 . LEU . 7175 1 43 . HIS . 7175 1 44 . SER . 7175 1 45 . ALA . 7175 1 46 . THR . 7175 1 47 . TYR . 7175 1 48 . ASP . 7175 1 49 . TYR . 7175 1 50 . ALA . 7175 1 51 . VAL . 7175 1 52 . SER . 7175 1 53 . ASP . 7175 1 54 . GLU . 7175 1 55 . THR . 7175 1 56 . GLY . 7175 1 57 . ASP . 7175 1 58 . ILE . 7175 1 59 . THR . 7175 1 60 . TYR . 7175 1 61 . PHE . 7175 1 62 . LYS . 7175 1 63 . GLU . 7175 1 64 . HIS . 7175 1 65 . GLU . 7175 1 66 . LEU . 7175 1 67 . THR . 7175 1 68 . PRO . 7175 1 69 . LEU . 7175 1 70 . LYS . 7175 1 71 . GLY . 7175 1 72 . GLY . 7175 1 73 . LEU . 7175 1 74 . ALA . 7175 1 75 . TYR . 7175 1 76 . VAL . 7175 1 77 . LEU . 7175 1 78 . GLU . 7175 1 79 . HIS . 7175 1 80 . HIS . 7175 1 81 . HIS . 7175 1 82 . HIS . 7175 1 83 . HIS . 7175 1 84 . HIS . 7175 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 7175 1 . ALA 2 2 7175 1 . GLY 3 3 7175 1 . ASP 4 4 7175 1 . PRO 5 5 7175 1 . LEU 6 6 7175 1 . PRO 7 7 7175 1 . LYS 8 8 7175 1 . TYR 9 9 7175 1 . TRP 10 10 7175 1 . SER 11 11 7175 1 . TYR 12 12 7175 1 . PRO 13 13 7175 1 . VAL 14 14 7175 1 . GLY 15 15 7175 1 . LEU 16 16 7175 1 . ALA 17 17 7175 1 . VAL 18 18 7175 1 . GLU 19 19 7175 1 . ILE 20 20 7175 1 . ASN 21 21 7175 1 . ASN 22 22 7175 1 . ASN 23 23 7175 1 . ALA 24 24 7175 1 . ARG 25 25 7175 1 . TYR 26 26 7175 1 . GLY 27 27 7175 1 . CYS 28 28 7175 1 . PRO 29 29 7175 1 . HIS 30 30 7175 1 . HIS 31 31 7175 1 . VAL 32 32 7175 1 . GLY 33 33 7175 1 . ARG 34 34 7175 1 . LYS 35 35 7175 1 . GLY 36 36 7175 1 . LYS 37 37 7175 1 . ILE 38 38 7175 1 . ILE 39 39 7175 1 . GLU 40 40 7175 1 . HIS 41 41 7175 1 . LEU 42 42 7175 1 . HIS 43 43 7175 1 . SER 44 44 7175 1 . ALA 45 45 7175 1 . THR 46 46 7175 1 . TYR 47 47 7175 1 . ASP 48 48 7175 1 . TYR 49 49 7175 1 . ALA 50 50 7175 1 . VAL 51 51 7175 1 . SER 52 52 7175 1 . ASP 53 53 7175 1 . GLU 54 54 7175 1 . THR 55 55 7175 1 . GLY 56 56 7175 1 . ASP 57 57 7175 1 . ILE 58 58 7175 1 . THR 59 59 7175 1 . TYR 60 60 7175 1 . PHE 61 61 7175 1 . LYS 62 62 7175 1 . GLU 63 63 7175 1 . HIS 64 64 7175 1 . GLU 65 65 7175 1 . LEU 66 66 7175 1 . THR 67 67 7175 1 . PRO 68 68 7175 1 . LEU 69 69 7175 1 . LYS 70 70 7175 1 . GLY 71 71 7175 1 . GLY 72 72 7175 1 . LEU 73 73 7175 1 . ALA 74 74 7175 1 . TYR 75 75 7175 1 . VAL 76 76 7175 1 . LEU 77 77 7175 1 . GLU 78 78 7175 1 . HIS 79 79 7175 1 . HIS 80 80 7175 1 . HIS 81 81 7175 1 . HIS 82 82 7175 1 . HIS 83 83 7175 1 . HIS 84 84 7175 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 7175 _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 $YorP . 1423 . no . 'Bacillus subtilis' . . Eubacteria . Bacillus subtilis . . . . . . . . . . . . . . . . . . . . . 7175 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 7175 _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 $YorP . 'recombinant technology' . 'E. coli' 'BL21 (DE3) pMGK' . . . . . . . . . . . . . . . . plasmid . . PET21 . . . . . . 7175 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7175 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 YorP '[U-100% 13C; U-100% 15N]' . . 1 $YorP . . 1 . . mM . . . . 7175 1 2 NH4OAc . . . . . . . 20 . . mM . . . . 7175 1 3 NaCL . . . . . . . 100 . . mM . . . . 7175 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 7175 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 10 mM 7175 1 pH 5.5 0.1 pH 7175 1 temperature 293 1 K 7175 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz _NMR_spectrometer.Entry_ID 7175 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_750MHz _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 750MHz _NMR_spectrometer.Entry_ID 7175 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 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 7175 _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 600MHz Varian Inova . 600 . . . 7175 1 2 750MHz Varian Inova . 750 . . . 7175 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 7175 _Experiment_list.ID 1 _Experiment_list.Details 'experiment information not available' 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 unknown no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $conditions_1 . . . 1 $600MHz . . . . . . . . . . . . . . . . 7175 1 2 unknown no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $conditions_1 . . . 2 $750MHz . . . . . . . . . . . . . . . . 7175 1 stop_ save_ save_NMR_spec_expt_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt_1 _NMR_spec_expt.Entry_ID 7175 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name unknown _NMR_spec_expt.Type unknown _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'experiment information not available' save_ save_NMR_spec_expt_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt_2 _NMR_spec_expt.Entry_ID 7175 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name unknown _NMR_spec_expt.Type unknown _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $750MHz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'experiment information not available' save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 7175 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 7175 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 7175 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 7175 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7175 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 unknown 1 $sample_1 isotropic 7175 1 2 unknown 1 $sample_1 isotropic 7175 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ALA HA H 1 4.09 0.02 . 1 . . . . 2 ALA HA . 7175 1 2 . 1 1 2 2 ALA HB1 H 1 1.49 0.02 . 1 . . . . 2 ALA HB . 7175 1 3 . 1 1 2 2 ALA HB2 H 1 1.49 0.02 . 1 . . . . 2 ALA HB . 7175 1 4 . 1 1 2 2 ALA HB3 H 1 1.49 0.02 . 1 . . . . 2 ALA HB . 7175 1 5 . 1 1 2 2 ALA C C 13 174.1 0.2 . 1 . . . . 2 ALA C . 7175 1 6 . 1 1 2 2 ALA CA C 13 52.3 0.2 . 1 . . . . 2 ALA CA . 7175 1 7 . 1 1 2 2 ALA CB C 13 19.2 0.2 . 1 . . . . 2 ALA CB . 7175 1 8 . 1 1 3 3 GLY H H 1 8.62 0.02 . 1 . . . . 3 GLY H . 7175 1 9 . 1 1 3 3 GLY HA2 H 1 3.95 0.02 . 1 . . . . 3 GLY HA2 . 7175 1 10 . 1 1 3 3 GLY HA3 H 1 3.95 0.02 . 1 . . . . 3 GLY HA3 . 7175 1 11 . 1 1 3 3 GLY C C 13 173.4 0.2 . 1 . . . . 3 GLY C . 7175 1 12 . 1 1 3 3 GLY CA C 13 44.7 0.2 . 1 . . . . 3 GLY CA . 7175 1 13 . 1 1 3 3 GLY N N 15 108.6 0.2 . 1 . . . . 3 GLY N . 7175 1 14 . 1 1 4 4 ASP H H 1 8.35 0.02 . 1 . . . . 4 ASP H . 7175 1 15 . 1 1 4 4 ASP HA H 1 4.79 0.02 . 1 . . . . 4 ASP HA . 7175 1 16 . 1 1 4 4 ASP HB2 H 1 2.40 0.02 . 2 . . . . 4 ASP HB2 . 7175 1 17 . 1 1 4 4 ASP HB3 H 1 2.65 0.02 . 2 . . . . 4 ASP HB3 . 7175 1 18 . 1 1 4 4 ASP CA C 13 52.7 0.2 . 1 . . . . 4 ASP CA . 7175 1 19 . 1 1 4 4 ASP CB C 13 40.5 0.2 . 1 . . . . 4 ASP CB . 7175 1 20 . 1 1 4 4 ASP N N 15 121.9 0.2 . 1 . . . . 4 ASP N . 7175 1 21 . 1 1 5 5 PRO HA H 1 4.37 0.02 . 1 . . . . 5 PRO HA . 7175 1 22 . 1 1 5 5 PRO HB2 H 1 1.83 0.02 . 2 . . . . 5 PRO HB2 . 7175 1 23 . 1 1 5 5 PRO HB3 H 1 2.18 0.02 . 2 . . . . 5 PRO HB3 . 7175 1 24 . 1 1 5 5 PRO HG2 H 1 1.95 0.02 . 1 . . . . 5 PRO HG2 . 7175 1 25 . 1 1 5 5 PRO HG3 H 1 1.95 0.02 . 1 . . . . 5 PRO HG3 . 7175 1 26 . 1 1 5 5 PRO HD2 H 1 3.64 0.02 . 2 . . . . 5 PRO HD2 . 7175 1 27 . 1 1 5 5 PRO HD3 H 1 3.79 0.02 . 2 . . . . 5 PRO HD3 . 7175 1 28 . 1 1 5 5 PRO C C 13 176.5 0.2 . 1 . . . . 5 PRO C . 7175 1 29 . 1 1 5 5 PRO CA C 13 62.9 0.2 . 1 . . . . 5 PRO CA . 7175 1 30 . 1 1 5 5 PRO CB C 13 32.0 0.2 . 1 . . . . 5 PRO CB . 7175 1 31 . 1 1 5 5 PRO CG C 13 27.2 0.2 . 1 . . . . 5 PRO CG . 7175 1 32 . 1 1 5 5 PRO CD C 13 50.5 0.2 . 1 . . . . 5 PRO CD . 7175 1 33 . 1 1 6 6 LEU H H 1 8.30 0.02 . 1 . . . . 6 LEU H . 7175 1 34 . 1 1 6 6 LEU HA H 1 4.49 0.02 . 1 . . . . 6 LEU HA . 7175 1 35 . 1 1 6 6 LEU HB2 H 1 1.48 0.02 . 1 . . . . 6 LEU HB2 . 7175 1 36 . 1 1 6 6 LEU HB3 H 1 1.48 0.02 . 1 . . . . 6 LEU HB3 . 7175 1 37 . 1 1 6 6 LEU HG H 1 1.63 0.02 . 1 . . . . 6 LEU HG . 7175 1 38 . 1 1 6 6 LEU HD11 H 1 0.88 0.02 . 1 . . . . 6 LEU HD1 . 7175 1 39 . 1 1 6 6 LEU HD12 H 1 0.88 0.02 . 1 . . . . 6 LEU HD1 . 7175 1 40 . 1 1 6 6 LEU HD13 H 1 0.88 0.02 . 1 . . . . 6 LEU HD1 . 7175 1 41 . 1 1 6 6 LEU HD21 H 1 0.85 0.02 . 1 . . . . 6 LEU HD2 . 7175 1 42 . 1 1 6 6 LEU HD22 H 1 0.85 0.02 . 1 . . . . 6 LEU HD2 . 7175 1 43 . 1 1 6 6 LEU HD23 H 1 0.85 0.02 . 1 . . . . 6 LEU HD2 . 7175 1 44 . 1 1 6 6 LEU CA C 13 53.0 0.2 . 1 . . . . 6 LEU CA . 7175 1 45 . 1 1 6 6 LEU CB C 13 41.5 0.2 . 1 . . . . 6 LEU CB . 7175 1 46 . 1 1 6 6 LEU CG C 13 27.0 0.2 . 1 . . . . 6 LEU CG . 7175 1 47 . 1 1 6 6 LEU CD1 C 13 25.1 0.02 . 1 . . . . 6 LEU CD1 . 7175 1 48 . 1 1 6 6 LEU CD2 C 13 23.4 0.02 . 1 . . . . 6 LEU CD2 . 7175 1 49 . 1 1 6 6 LEU N N 15 123.6 0.2 . 1 . . . . 6 LEU N . 7175 1 50 . 1 1 7 7 PRO HA H 1 4.26 0.02 . 1 . . . . 7 PRO HA . 7175 1 51 . 1 1 7 7 PRO HB2 H 1 1.67 0.02 . 2 . . . . 7 PRO HB2 . 7175 1 52 . 1 1 7 7 PRO HB3 H 1 2.14 0.02 . 2 . . . . 7 PRO HB3 . 7175 1 53 . 1 1 7 7 PRO HG2 H 1 1.94 0.02 . 1 . . . . 7 PRO HG2 . 7175 1 54 . 1 1 7 7 PRO HG3 H 1 1.94 0.02 . 1 . . . . 7 PRO HG3 . 7175 1 55 . 1 1 7 7 PRO HD2 H 1 3.54 0.02 . 2 . . . . 7 PRO HD2 . 7175 1 56 . 1 1 7 7 PRO HD3 H 1 3.76 0.02 . 2 . . . . 7 PRO HD3 . 7175 1 57 . 1 1 7 7 PRO C C 13 175.9 0.2 . 1 . . . . 7 PRO C . 7175 1 58 . 1 1 7 7 PRO CA C 13 62.8 0.2 . 1 . . . . 7 PRO CA . 7175 1 59 . 1 1 7 7 PRO CB C 13 31.9 0.2 . 1 . . . . 7 PRO CB . 7175 1 60 . 1 1 7 7 PRO CG C 13 27.3 0.2 . 1 . . . . 7 PRO CG . 7175 1 61 . 1 1 7 7 PRO CD C 13 50.4 0.2 . 1 . . . . 7 PRO CD . 7175 1 62 . 1 1 8 8 LYS H H 1 7.81 0.02 . 1 . . . . 8 LYS H . 7175 1 63 . 1 1 8 8 LYS HA H 1 3.85 0.02 . 1 . . . . 8 LYS HA . 7175 1 64 . 1 1 8 8 LYS HB2 H 1 0.80 0.02 . 2 . . . . 8 LYS HB2 . 7175 1 65 . 1 1 8 8 LYS HB3 H 1 1.00 0.02 . 2 . . . . 8 LYS HB3 . 7175 1 66 . 1 1 8 8 LYS HG2 H 1 0.49 0.02 . 2 . . . . 8 LYS HG2 . 7175 1 67 . 1 1 8 8 LYS HG3 H 1 0.66 0.02 . 2 . . . . 8 LYS HG3 . 7175 1 68 . 1 1 8 8 LYS HD2 H 1 1.28 0.02 . 1 . . . . 8 LYS HD2 . 7175 1 69 . 1 1 8 8 LYS HD3 H 1 1.28 0.02 . 1 . . . . 8 LYS HD3 . 7175 1 70 . 1 1 8 8 LYS HE2 H 1 2.45 0.02 . 2 . . . . 8 LYS HE2 . 7175 1 71 . 1 1 8 8 LYS HE3 H 1 2.67 0.02 . 2 . . . . 8 LYS HE3 . 7175 1 72 . 1 1 8 8 LYS C C 13 174.0 0.2 . 1 . . . . 8 LYS C . 7175 1 73 . 1 1 8 8 LYS CA C 13 55.5 0.2 . 1 . . . . 8 LYS CA . 7175 1 74 . 1 1 8 8 LYS CB C 13 33.1 0.2 . 1 . . . . 8 LYS CB . 7175 1 75 . 1 1 8 8 LYS CG C 13 24.5 0.2 . 1 . . . . 8 LYS CG . 7175 1 76 . 1 1 8 8 LYS CD C 13 28.9 0.2 . 1 . . . . 8 LYS CD . 7175 1 77 . 1 1 8 8 LYS CE C 13 42.1 0.2 . 1 . . . . 8 LYS CE . 7175 1 78 . 1 1 8 8 LYS N N 15 121.7 0.2 . 1 . . . . 8 LYS N . 7175 1 79 . 1 1 9 9 TYR H H 1 7.65 0.02 . 1 . . . . 9 TYR H . 7175 1 80 . 1 1 9 9 TYR HA H 1 4.29 0.02 . 1 . . . . 9 TYR HA . 7175 1 81 . 1 1 9 9 TYR HB2 H 1 2.58 0.02 . 1 . . . . 9 TYR HB2 . 7175 1 82 . 1 1 9 9 TYR HB3 H 1 2.58 0.02 . 1 . . . . 9 TYR HB3 . 7175 1 83 . 1 1 9 9 TYR HD1 H 1 6.84 0.02 . 1 . . . . 9 TYR HD1 . 7175 1 84 . 1 1 9 9 TYR HD2 H 1 6.84 0.02 . 1 . . . . 9 TYR HD2 . 7175 1 85 . 1 1 9 9 TYR HE1 H 1 6.66 0.02 . 1 . . . . 9 TYR HE1 . 7175 1 86 . 1 1 9 9 TYR HE2 H 1 6.66 0.02 . 1 . . . . 9 TYR HE2 . 7175 1 87 . 1 1 9 9 TYR C C 13 173.8 0.2 . 1 . . . . 9 TYR C . 7175 1 88 . 1 1 9 9 TYR CA C 13 56.7 0.2 . 1 . . . . 9 TYR CA . 7175 1 89 . 1 1 9 9 TYR CB C 13 40.3 0.2 . 1 . . . . 9 TYR CB . 7175 1 90 . 1 1 9 9 TYR CD1 C 13 133.2 0.02 . 1 . . . . 9 TYR CD1 . 7175 1 91 . 1 1 9 9 TYR CD2 C 13 133.2 0.02 . 1 . . . . 9 TYR CD2 . 7175 1 92 . 1 1 9 9 TYR CE1 C 13 118.0 0.02 . 1 . . . . 9 TYR CE1 . 7175 1 93 . 1 1 9 9 TYR CE2 C 13 118.0 0.02 . 1 . . . . 9 TYR CE2 . 7175 1 94 . 1 1 9 9 TYR N N 15 121.6 0.2 . 1 . . . . 9 TYR N . 7175 1 95 . 1 1 10 10 TRP H H 1 8.04 0.02 . 1 . . . . 10 TRP H . 7175 1 96 . 1 1 10 10 TRP HA H 1 4.29 0.02 . 1 . . . . 10 TRP HA . 7175 1 97 . 1 1 10 10 TRP HB2 H 1 2.76 0.02 . 2 . . . . 10 TRP HB2 . 7175 1 98 . 1 1 10 10 TRP HB3 H 1 2.43 0.02 . 2 . . . . 10 TRP HB3 . 7175 1 99 . 1 1 10 10 TRP HD1 H 1 6.14 0.02 . 1 . . . . 10 TRP HD1 . 7175 1 100 . 1 1 10 10 TRP HE1 H 1 9.50 0.02 . 1 . . . . 10 TRP HE1 . 7175 1 101 . 1 1 10 10 TRP HE3 H 1 7.44 0.02 . 1 . . . . 10 TRP HE3 . 7175 1 102 . 1 1 10 10 TRP HZ2 H 1 6.68 0.02 . 1 . . . . 10 TRP HZ2 . 7175 1 103 . 1 1 10 10 TRP HZ3 H 1 6.77 0.02 . 1 . . . . 10 TRP HZ3 . 7175 1 104 . 1 1 10 10 TRP HH2 H 1 6.96 0.02 . 1 . . . . 10 TRP HH2 . 7175 1 105 . 1 1 10 10 TRP C C 13 175.5 0.2 . 1 . . . . 10 TRP C . 7175 1 106 . 1 1 10 10 TRP CA C 13 58.2 0.2 . 1 . . . . 10 TRP CA . 7175 1 107 . 1 1 10 10 TRP CB C 13 29.2 0.2 . 1 . . . . 10 TRP CB . 7175 1 108 . 1 1 10 10 TRP CD1 C 13 126.4 0.2 . 1 . . . . 10 TRP CD1 . 7175 1 109 . 1 1 10 10 TRP CE3 C 13 121.2 0.2 . 1 . . . . 10 TRP CE3 . 7175 1 110 . 1 1 10 10 TRP CZ2 C 13 113.6 0.2 . 1 . . . . 10 TRP CZ2 . 7175 1 111 . 1 1 10 10 TRP CZ3 C 13 124.1 0.2 . 1 . . . . 10 TRP CZ3 . 7175 1 112 . 1 1 10 10 TRP CH2 C 13 122.3 0.2 . 1 . . . . 10 TRP CH2 . 7175 1 113 . 1 1 10 10 TRP N N 15 123.8 0.2 . 1 . . . . 10 TRP N . 7175 1 114 . 1 1 10 10 TRP NE1 N 15 127.8 0.2 . 1 . . . . 10 TRP NE1 . 7175 1 115 . 1 1 11 11 SER H H 1 8.58 0.02 . 1 . . . . 11 SER H . 7175 1 116 . 1 1 11 11 SER HA H 1 4.12 0.02 . 1 . . . . 11 SER HA . 7175 1 117 . 1 1 11 11 SER HB2 H 1 2.82 0.02 . 2 . . . . 11 SER HB2 . 7175 1 118 . 1 1 11 11 SER HB3 H 1 3.42 0.02 . 2 . . . . 11 SER HB3 . 7175 1 119 . 1 1 11 11 SER C C 13 174.0 0.2 . 1 . . . . 11 SER C . 7175 1 120 . 1 1 11 11 SER CA C 13 60.6 0.2 . 1 . . . . 11 SER CA . 7175 1 121 . 1 1 11 11 SER CB C 13 62.5 0.2 . 1 . . . . 11 SER CB . 7175 1 122 . 1 1 11 11 SER N N 15 119.7 0.2 . 1 . . . . 11 SER N . 7175 1 123 . 1 1 12 12 TYR H H 1 8.02 0.02 . 1 . . . . 12 TYR H . 7175 1 124 . 1 1 12 12 TYR HA H 1 5.40 0.02 . 1 . . . . 12 TYR HA . 7175 1 125 . 1 1 12 12 TYR HB2 H 1 2.52 0.02 . 2 . . . . 12 TYR HB2 . 7175 1 126 . 1 1 12 12 TYR HB3 H 1 2.69 0.02 . 2 . . . . 12 TYR HB3 . 7175 1 127 . 1 1 12 12 TYR HD1 H 1 6.53 0.02 . 1 . . . . 12 TYR HD1 . 7175 1 128 . 1 1 12 12 TYR HD2 H 1 6.53 0.02 . 1 . . . . 12 TYR HD2 . 7175 1 129 . 1 1 12 12 TYR HE1 H 1 6.75 0.02 . 1 . . . . 12 TYR HE1 . 7175 1 130 . 1 1 12 12 TYR HE2 H 1 6.75 0.02 . 1 . . . . 12 TYR HE2 . 7175 1 131 . 1 1 12 12 TYR CA C 13 51.3 0.2 . 1 . . . . 12 TYR CA . 7175 1 132 . 1 1 12 12 TYR CB C 13 38.6 0.2 . 1 . . . . 12 TYR CB . 7175 1 133 . 1 1 12 12 TYR CD1 C 13 131.2 0.02 . 1 . . . . 12 TYR CD1 . 7175 1 134 . 1 1 12 12 TYR CD2 C 13 131.2 0.02 . 1 . . . . 12 TYR CD2 . 7175 1 135 . 1 1 12 12 TYR CE1 C 13 117.9 0.02 . 1 . . . . 12 TYR CE1 . 7175 1 136 . 1 1 12 12 TYR CE2 C 13 117.9 0.02 . 1 . . . . 12 TYR CE2 . 7175 1 137 . 1 1 12 12 TYR N N 15 118.6 0.2 . 1 . . . . 12 TYR N . 7175 1 138 . 1 1 13 13 PRO HA H 1 4.61 0.02 . 1 . . . . 13 PRO HA . 7175 1 139 . 1 1 13 13 PRO HB2 H 1 1.95 0.02 . 2 . . . . 13 PRO HB2 . 7175 1 140 . 1 1 13 13 PRO HB3 H 1 2.31 0.02 . 2 . . . . 13 PRO HB3 . 7175 1 141 . 1 1 13 13 PRO HG2 H 1 1.96 0.02 . 2 . . . . 13 PRO HG2 . 7175 1 142 . 1 1 13 13 PRO HG3 H 1 2.11 0.02 . 2 . . . . 13 PRO HG3 . 7175 1 143 . 1 1 13 13 PRO HD2 H 1 3.79 0.02 . 2 . . . . 13 PRO HD2 . 7175 1 144 . 1 1 13 13 PRO HD3 H 1 4.13 0.02 . 2 . . . . 13 PRO HD3 . 7175 1 145 . 1 1 13 13 PRO C C 13 175.6 0.2 . 1 . . . . 13 PRO C . 7175 1 146 . 1 1 13 13 PRO CA C 13 62.3 0.2 . 1 . . . . 13 PRO CA . 7175 1 147 . 1 1 13 13 PRO CB C 13 32.4 0.2 . 1 . . . . 13 PRO CB . 7175 1 148 . 1 1 13 13 PRO CG C 13 27.0 0.2 . 1 . . . . 13 PRO CG . 7175 1 149 . 1 1 13 13 PRO CD C 13 51.6 0.2 . 1 . . . . 13 PRO CD . 7175 1 150 . 1 1 14 14 VAL H H 1 8.26 0.02 . 1 . . . . 14 VAL H . 7175 1 151 . 1 1 14 14 VAL HA H 1 3.07 0.02 . 1 . . . . 14 VAL HA . 7175 1 152 . 1 1 14 14 VAL HB H 1 1.62 0.02 . 1 . . . . 14 VAL HB . 7175 1 153 . 1 1 14 14 VAL HG11 H 1 0.68 0.02 . 1 . . . . 14 VAL HG1 . 7175 1 154 . 1 1 14 14 VAL HG12 H 1 0.68 0.02 . 1 . . . . 14 VAL HG1 . 7175 1 155 . 1 1 14 14 VAL HG13 H 1 0.68 0.02 . 1 . . . . 14 VAL HG1 . 7175 1 156 . 1 1 14 14 VAL HG21 H 1 0.23 0.02 . 1 . . . . 14 VAL HG2 . 7175 1 157 . 1 1 14 14 VAL HG22 H 1 0.23 0.02 . 1 . . . . 14 VAL HG2 . 7175 1 158 . 1 1 14 14 VAL HG23 H 1 0.23 0.02 . 1 . . . . 14 VAL HG2 . 7175 1 159 . 1 1 14 14 VAL C C 13 177.0 0.2 . 1 . . . . 14 VAL C . 7175 1 160 . 1 1 14 14 VAL CA C 13 65.6 0.2 . 1 . . . . 14 VAL CA . 7175 1 161 . 1 1 14 14 VAL CB C 13 30.8 0.2 . 1 . . . . 14 VAL CB . 7175 1 162 . 1 1 14 14 VAL CG1 C 13 21.5 0.02 . 1 . . . . 14 VAL CG1 . 7175 1 163 . 1 1 14 14 VAL CG2 C 13 21.8 0.02 . 1 . . . . 14 VAL CG2 . 7175 1 164 . 1 1 14 14 VAL N N 15 119.5 0.2 . 1 . . . . 14 VAL N . 7175 1 165 . 1 1 15 15 GLY H H 1 8.82 0.02 . 1 . . . . 15 GLY H . 7175 1 166 . 1 1 15 15 GLY HA2 H 1 3.49 0.02 . 2 . . . . 15 GLY HA2 . 7175 1 167 . 1 1 15 15 GLY HA3 H 1 4.39 0.02 . 2 . . . . 15 GLY HA3 . 7175 1 168 . 1 1 15 15 GLY C C 13 173.8 0.2 . 1 . . . . 15 GLY C . 7175 1 169 . 1 1 15 15 GLY CA C 13 44.0 0.2 . 1 . . . . 15 GLY CA . 7175 1 170 . 1 1 15 15 GLY N N 15 116.4 0.2 . 1 . . . . 15 GLY N . 7175 1 171 . 1 1 16 16 LEU H H 1 7.42 0.02 . 1 . . . . 16 LEU H . 7175 1 172 . 1 1 16 16 LEU HA H 1 4.03 0.02 . 1 . . . . 16 LEU HA . 7175 1 173 . 1 1 16 16 LEU HB2 H 1 1.39 0.02 . 2 . . . . 16 LEU HB2 . 7175 1 174 . 1 1 16 16 LEU HB3 H 1 1.56 0.02 . 2 . . . . 16 LEU HB3 . 7175 1 175 . 1 1 16 16 LEU HG H 1 1.65 0.02 . 1 . . . . 16 LEU HG . 7175 1 176 . 1 1 16 16 LEU HD11 H 1 0.94 0.02 . 1 . . . . 16 LEU HD1 . 7175 1 177 . 1 1 16 16 LEU HD12 H 1 0.94 0.02 . 1 . . . . 16 LEU HD1 . 7175 1 178 . 1 1 16 16 LEU HD13 H 1 0.94 0.02 . 1 . . . . 16 LEU HD1 . 7175 1 179 . 1 1 16 16 LEU HD21 H 1 0.44 0.02 . 1 . . . . 16 LEU HD2 . 7175 1 180 . 1 1 16 16 LEU HD22 H 1 0.44 0.02 . 1 . . . . 16 LEU HD2 . 7175 1 181 . 1 1 16 16 LEU HD23 H 1 0.44 0.02 . 1 . . . . 16 LEU HD2 . 7175 1 182 . 1 1 16 16 LEU C C 13 176.0 0.2 . 1 . . . . 16 LEU C . 7175 1 183 . 1 1 16 16 LEU CA C 13 55.8 0.2 . 1 . . . . 16 LEU CA . 7175 1 184 . 1 1 16 16 LEU CB C 13 43.4 0.2 . 1 . . . . 16 LEU CB . 7175 1 185 . 1 1 16 16 LEU CG C 13 25.7 0.2 . 1 . . . . 16 LEU CG . 7175 1 186 . 1 1 16 16 LEU CD1 C 13 23.7 0.02 . 1 . . . . 16 LEU CD1 . 7175 1 187 . 1 1 16 16 LEU CD2 C 13 27.4 0.02 . 1 . . . . 16 LEU CD2 . 7175 1 188 . 1 1 16 16 LEU N N 15 122.0 0.2 . 1 . . . . 16 LEU N . 7175 1 189 . 1 1 17 17 ALA H H 1 8.38 0.02 . 1 . . . . 17 ALA H . 7175 1 190 . 1 1 17 17 ALA HA H 1 4.94 0.02 . 1 . . . . 17 ALA HA . 7175 1 191 . 1 1 17 17 ALA HB1 H 1 1.38 0.02 . 1 . . . . 17 ALA HB . 7175 1 192 . 1 1 17 17 ALA HB2 H 1 1.38 0.02 . 1 . . . . 17 ALA HB . 7175 1 193 . 1 1 17 17 ALA HB3 H 1 1.38 0.02 . 1 . . . . 17 ALA HB . 7175 1 194 . 1 1 17 17 ALA C C 13 177.2 0.2 . 1 . . . . 17 ALA C . 7175 1 195 . 1 1 17 17 ALA CA C 13 51.7 0.2 . 1 . . . . 17 ALA CA . 7175 1 196 . 1 1 17 17 ALA CB C 13 19.3 0.2 . 1 . . . . 17 ALA CB . 7175 1 197 . 1 1 17 17 ALA N N 15 129.0 0.2 . 1 . . . . 17 ALA N . 7175 1 198 . 1 1 18 18 VAL H H 1 8.63 0.02 . 1 . . . . 18 VAL H . 7175 1 199 . 1 1 18 18 VAL HA H 1 4.80 0.02 . 1 . . . . 18 VAL HA . 7175 1 200 . 1 1 18 18 VAL HB H 1 1.59 0.02 . 1 . . . . 18 VAL HB . 7175 1 201 . 1 1 18 18 VAL HG11 H 1 0.20 0.02 . 1 . . . . 18 VAL HG1 . 7175 1 202 . 1 1 18 18 VAL HG12 H 1 0.20 0.02 . 1 . . . . 18 VAL HG1 . 7175 1 203 . 1 1 18 18 VAL HG13 H 1 0.20 0.02 . 1 . . . . 18 VAL HG1 . 7175 1 204 . 1 1 18 18 VAL HG21 H 1 0.27 0.02 . 1 . . . . 18 VAL HG2 . 7175 1 205 . 1 1 18 18 VAL HG22 H 1 0.27 0.02 . 1 . . . . 18 VAL HG2 . 7175 1 206 . 1 1 18 18 VAL HG23 H 1 0.27 0.02 . 1 . . . . 18 VAL HG2 . 7175 1 207 . 1 1 18 18 VAL C C 13 173.2 0.2 . 1 . . . . 18 VAL C . 7175 1 208 . 1 1 18 18 VAL CA C 13 58.5 0.2 . 1 . . . . 18 VAL CA . 7175 1 209 . 1 1 18 18 VAL CB C 13 36.2 0.2 . 1 . . . . 18 VAL CB . 7175 1 210 . 1 1 18 18 VAL CG1 C 13 21.6 0.02 . 1 . . . . 18 VAL CG1 . 7175 1 211 . 1 1 18 18 VAL CG2 C 13 17.4 0.02 . 1 . . . . 18 VAL CG2 . 7175 1 212 . 1 1 18 18 VAL N N 15 115.0 0.2 . 1 . . . . 18 VAL N . 7175 1 213 . 1 1 19 19 GLU H H 1 8.90 0.02 . 1 . . . . 19 GLU H . 7175 1 214 . 1 1 19 19 GLU HA H 1 4.90 0.02 . 1 . . . . 19 GLU HA . 7175 1 215 . 1 1 19 19 GLU HB2 H 1 1.75 0.02 . 1 . . . . 19 GLU HB2 . 7175 1 216 . 1 1 19 19 GLU HB3 H 1 1.75 0.02 . 1 . . . . 19 GLU HB3 . 7175 1 217 . 1 1 19 19 GLU HG2 H 1 1.92 0.02 . 1 . . . . 19 GLU HG2 . 7175 1 218 . 1 1 19 19 GLU HG3 H 1 1.92 0.02 . 1 . . . . 19 GLU HG3 . 7175 1 219 . 1 1 19 19 GLU C C 13 175.0 0.2 . 1 . . . . 19 GLU C . 7175 1 220 . 1 1 19 19 GLU CA C 13 53.9 0.2 . 1 . . . . 19 GLU CA . 7175 1 221 . 1 1 19 19 GLU CB C 13 32.9 0.2 . 1 . . . . 19 GLU CB . 7175 1 222 . 1 1 19 19 GLU CG C 13 36.3 0.2 . 1 . . . . 19 GLU CG . 7175 1 223 . 1 1 19 19 GLU N N 15 119.2 0.2 . 1 . . . . 19 GLU N . 7175 1 224 . 1 1 20 20 ILE H H 1 8.31 0.02 . 1 . . . . 20 ILE H . 7175 1 225 . 1 1 20 20 ILE HA H 1 3.94 0.02 . 1 . . . . 20 ILE HA . 7175 1 226 . 1 1 20 20 ILE HB H 1 1.73 0.02 . 1 . . . . 20 ILE HB . 7175 1 227 . 1 1 20 20 ILE HG12 H 1 0.31 0.02 . 2 . . . . 20 ILE HG12 . 7175 1 228 . 1 1 20 20 ILE HG13 H 1 0.83 0.02 . 2 . . . . 20 ILE HG13 . 7175 1 229 . 1 1 20 20 ILE HG21 H 1 0.54 0.02 . 1 . . . . 20 ILE HG2 . 7175 1 230 . 1 1 20 20 ILE HG22 H 1 0.54 0.02 . 1 . . . . 20 ILE HG2 . 7175 1 231 . 1 1 20 20 ILE HG23 H 1 0.54 0.02 . 1 . . . . 20 ILE HG2 . 7175 1 232 . 1 1 20 20 ILE HD11 H 1 0.36 0.02 . 1 . . . . 20 ILE HD1 . 7175 1 233 . 1 1 20 20 ILE HD12 H 1 0.36 0.02 . 1 . . . . 20 ILE HD1 . 7175 1 234 . 1 1 20 20 ILE HD13 H 1 0.36 0.02 . 1 . . . . 20 ILE HD1 . 7175 1 235 . 1 1 20 20 ILE C C 13 176.4 0.2 . 1 . . . . 20 ILE C . 7175 1 236 . 1 1 20 20 ILE CA C 13 61.1 0.2 . 1 . . . . 20 ILE CA . 7175 1 237 . 1 1 20 20 ILE CB C 13 37.3 0.2 . 1 . . . . 20 ILE CB . 7175 1 238 . 1 1 20 20 ILE CG1 C 13 27.6 0.2 . 1 . . . . 20 ILE CG1 . 7175 1 239 . 1 1 20 20 ILE CG2 C 13 19.3 0.2 . 1 . . . . 20 ILE CG2 . 7175 1 240 . 1 1 20 20 ILE CD1 C 13 13.7 0.2 . 1 . . . . 20 ILE CD1 . 7175 1 241 . 1 1 20 20 ILE N N 15 125.4 0.2 . 1 . . . . 20 ILE N . 7175 1 242 . 1 1 21 21 ASN H H 1 8.59 0.02 . 1 . . . . 21 ASN H . 7175 1 243 . 1 1 21 21 ASN HA H 1 4.77 0.02 . 1 . . . . 21 ASN HA . 7175 1 244 . 1 1 21 21 ASN HB2 H 1 2.59 0.02 . 2 . . . . 21 ASN HB2 . 7175 1 245 . 1 1 21 21 ASN HB3 H 1 3.02 0.02 . 2 . . . . 21 ASN HB3 . 7175 1 246 . 1 1 21 21 ASN HD21 H 1 7.32 0.02 . 2 . . . . 21 ASN HD21 . 7175 1 247 . 1 1 21 21 ASN HD22 H 1 6.85 0.02 . 2 . . . . 21 ASN HD22 . 7175 1 248 . 1 1 21 21 ASN C C 13 175.2 0.2 . 1 . . . . 21 ASN C . 7175 1 249 . 1 1 21 21 ASN CA C 13 52.7 0.2 . 1 . . . . 21 ASN CA . 7175 1 250 . 1 1 21 21 ASN CB C 13 39.6 0.2 . 1 . . . . 21 ASN CB . 7175 1 251 . 1 1 21 21 ASN N N 15 128.0 0.2 . 1 . . . . 21 ASN N . 7175 1 252 . 1 1 21 21 ASN ND2 N 15 112.4 0.2 . 1 . . . . 21 ASN ND2 . 7175 1 253 . 1 1 22 22 ASN H H 1 8.40 0.02 . 1 . . . . 22 ASN H . 7175 1 254 . 1 1 22 22 ASN HA H 1 4.53 0.02 . 1 . . . . 22 ASN HA . 7175 1 255 . 1 1 22 22 ASN HB2 H 1 2.74 0.02 . 2 . . . . 22 ASN HB2 . 7175 1 256 . 1 1 22 22 ASN HB3 H 1 2.80 0.02 . 2 . . . . 22 ASN HB3 . 7175 1 257 . 1 1 22 22 ASN HD21 H 1 7.64 0.02 . 1 . . . . 22 ASN HD21 . 7175 1 258 . 1 1 22 22 ASN HD22 H 1 6.94 0.02 . 1 . . . . 22 ASN HD22 . 7175 1 259 . 1 1 22 22 ASN C C 13 177.0 0.2 . 1 . . . . 22 ASN C . 7175 1 260 . 1 1 22 22 ASN CA C 13 54.7 0.2 . 1 . . . . 22 ASN CA . 7175 1 261 . 1 1 22 22 ASN CB C 13 38.7 0.2 . 1 . . . . 22 ASN CB . 7175 1 262 . 1 1 22 22 ASN N N 15 115.8 0.2 . 1 . . . . 22 ASN N . 7175 1 263 . 1 1 22 22 ASN ND2 N 15 112.8 0.2 . 1 . . . . 22 ASN ND2 . 7175 1 264 . 1 1 23 23 ASN H H 1 9.04 0.02 . 1 . . . . 23 ASN H . 7175 1 265 . 1 1 23 23 ASN HA H 1 4.65 0.02 . 1 . . . . 23 ASN HA . 7175 1 266 . 1 1 23 23 ASN HB2 H 1 2.83 0.02 . 2 . . . . 23 ASN HB2 . 7175 1 267 . 1 1 23 23 ASN HB3 H 1 2.92 0.02 . 2 . . . . 23 ASN HB3 . 7175 1 268 . 1 1 23 23 ASN HD21 H 1 7.50 0.02 . 1 . . . . 23 ASN HD21 . 7175 1 269 . 1 1 23 23 ASN HD22 H 1 7.14 0.02 . 1 . . . . 23 ASN HD22 . 7175 1 270 . 1 1 23 23 ASN C C 13 176.1 0.2 . 1 . . . . 23 ASN C . 7175 1 271 . 1 1 23 23 ASN CA C 13 54.7 0.2 . 1 . . . . 23 ASN CA . 7175 1 272 . 1 1 23 23 ASN CB C 13 38.3 0.2 . 1 . . . . 23 ASN CB . 7175 1 273 . 1 1 23 23 ASN N N 15 119.4 0.2 . 1 . . . . 23 ASN N . 7175 1 274 . 1 1 23 23 ASN ND2 N 15 114.0 0.2 . 1 . . . . 23 ASN ND2 . 7175 1 275 . 1 1 24 24 ALA H H 1 8.17 0.02 . 1 . . . . 24 ALA H . 7175 1 276 . 1 1 24 24 ALA HA H 1 4.57 0.02 . 1 . . . . 24 ALA HA . 7175 1 277 . 1 1 24 24 ALA HB1 H 1 1.48 0.02 . 1 . . . . 24 ALA HB . 7175 1 278 . 1 1 24 24 ALA HB2 H 1 1.48 0.02 . 1 . . . . 24 ALA HB . 7175 1 279 . 1 1 24 24 ALA HB3 H 1 1.48 0.02 . 1 . . . . 24 ALA HB . 7175 1 280 . 1 1 24 24 ALA C C 13 177.3 0.2 . 1 . . . . 24 ALA C . 7175 1 281 . 1 1 24 24 ALA CA C 13 52.7 0.2 . 1 . . . . 24 ALA CA . 7175 1 282 . 1 1 24 24 ALA CB C 13 19.3 0.2 . 1 . . . . 24 ALA CB . 7175 1 283 . 1 1 24 24 ALA N N 15 122.3 0.2 . 1 . . . . 24 ALA N . 7175 1 284 . 1 1 25 25 ARG H H 1 7.74 0.02 . 1 . . . . 25 ARG H . 7175 1 285 . 1 1 25 25 ARG HA H 1 3.92 0.02 . 1 . . . . 25 ARG HA . 7175 1 286 . 1 1 25 25 ARG HB2 H 1 1.67 0.02 . 2 . . . . 25 ARG HB2 . 7175 1 287 . 1 1 25 25 ARG HB3 H 1 1.76 0.02 . 2 . . . . 25 ARG HB3 . 7175 1 288 . 1 1 25 25 ARG HG2 H 1 1.16 0.02 . 2 . . . . 25 ARG HG2 . 7175 1 289 . 1 1 25 25 ARG HG3 H 1 1.37 0.02 . 2 . . . . 25 ARG HG3 . 7175 1 290 . 1 1 25 25 ARG HD2 H 1 3.06 0.02 . 2 . . . . 25 ARG HD2 . 7175 1 291 . 1 1 25 25 ARG HD3 H 1 3.09 0.02 . 2 . . . . 25 ARG HD3 . 7175 1 292 . 1 1 25 25 ARG HE H 1 7.22 0.02 . 1 . . . . 25 ARG HE . 7175 1 293 . 1 1 25 25 ARG C C 13 175.8 0.2 . 1 . . . . 25 ARG C . 7175 1 294 . 1 1 25 25 ARG CA C 13 57.6 0.2 . 1 . . . . 25 ARG CA . 7175 1 295 . 1 1 25 25 ARG CB C 13 30.2 0.2 . 1 . . . . 25 ARG CB . 7175 1 296 . 1 1 25 25 ARG CG C 13 26.6 0.2 . 1 . . . . 25 ARG CG . 7175 1 297 . 1 1 25 25 ARG CD C 13 43.3 0.2 . 1 . . . . 25 ARG CD . 7175 1 298 . 1 1 25 25 ARG N N 15 117.8 0.2 . 1 . . . . 25 ARG N . 7175 1 299 . 1 1 25 25 ARG NE N 15 84.4 0.2 . 1 . . . . 25 ARG NE . 7175 1 300 . 1 1 26 26 TYR H H 1 7.83 0.02 . 1 . . . . 26 TYR H . 7175 1 301 . 1 1 26 26 TYR HA H 1 4.39 0.02 . 1 . . . . 26 TYR HA . 7175 1 302 . 1 1 26 26 TYR HB2 H 1 2.96 0.02 . 2 . . . . 26 TYR HB2 . 7175 1 303 . 1 1 26 26 TYR HB3 H 1 3.07 0.02 . 2 . . . . 26 TYR HB3 . 7175 1 304 . 1 1 26 26 TYR HD1 H 1 7.13 0.02 . 1 . . . . 26 TYR HD1 . 7175 1 305 . 1 1 26 26 TYR HD2 H 1 7.13 0.02 . 1 . . . . 26 TYR HD2 . 7175 1 306 . 1 1 26 26 TYR HE1 H 1 6.82 0.02 . 1 . . . . 26 TYR HE1 . 7175 1 307 . 1 1 26 26 TYR HE2 H 1 6.82 0.02 . 1 . . . . 26 TYR HE2 . 7175 1 308 . 1 1 26 26 TYR C C 13 177.0 0.2 . 1 . . . . 26 TYR C . 7175 1 309 . 1 1 26 26 TYR CA C 13 59.2 0.2 . 1 . . . . 26 TYR CA . 7175 1 310 . 1 1 26 26 TYR CB C 13 38.0 0.2 . 1 . . . . 26 TYR CB . 7175 1 311 . 1 1 26 26 TYR CD1 C 13 133.1 0.02 . 1 . . . . 26 TYR CD1 . 7175 1 312 . 1 1 26 26 TYR CD2 C 13 133.1 0.02 . 1 . . . . 26 TYR CD2 . 7175 1 313 . 1 1 26 26 TYR CE1 C 13 118.2 0.02 . 1 . . . . 26 TYR CE1 . 7175 1 314 . 1 1 26 26 TYR CE2 C 13 118.2 0.02 . 1 . . . . 26 TYR CE2 . 7175 1 315 . 1 1 26 26 TYR N N 15 118.5 0.2 . 1 . . . . 26 TYR N . 7175 1 316 . 1 1 27 27 GLY H H 1 8.21 0.02 . 1 . . . . 27 GLY H . 7175 1 317 . 1 1 27 27 GLY HA2 H 1 3.96 0.02 . 1 . . . . 27 GLY HA2 . 7175 1 318 . 1 1 27 27 GLY HA3 H 1 3.96 0.02 . 1 . . . . 27 GLY HA3 . 7175 1 319 . 1 1 27 27 GLY C C 13 174.3 0.2 . 1 . . . . 27 GLY C . 7175 1 320 . 1 1 27 27 GLY CA C 13 45.5 0.2 . 1 . . . . 27 GLY CA . 7175 1 321 . 1 1 27 27 GLY N N 15 108.5 0.2 . 1 . . . . 27 GLY N . 7175 1 322 . 1 1 28 28 CYS H H 1 8.10 0.02 . 1 . . . . 28 CYS H . 7175 1 323 . 1 1 28 28 CYS HA H 1 4.90 0.02 . 1 . . . . 28 CYS HA . 7175 1 324 . 1 1 28 28 CYS HB2 H 1 2.85 0.02 . 2 . . . . 28 CYS HB2 . 7175 1 325 . 1 1 28 28 CYS HB3 H 1 2.96 0.02 . 2 . . . . 28 CYS HB3 . 7175 1 326 . 1 1 28 28 CYS CA C 13 56.4 0.2 . 1 . . . . 28 CYS CA . 7175 1 327 . 1 1 28 28 CYS CB C 13 27.8 0.2 . 1 . . . . 28 CYS CB . 7175 1 328 . 1 1 28 28 CYS N N 15 118.9 0.2 . 1 . . . . 28 CYS N . 7175 1 329 . 1 1 29 29 PRO HA H 1 4.25 0.02 . 1 . . . . 29 PRO HA . 7175 1 330 . 1 1 29 29 PRO HB2 H 1 1.69 0.02 . 2 . . . . 29 PRO HB2 . 7175 1 331 . 1 1 29 29 PRO HB3 H 1 2.32 0.02 . 2 . . . . 29 PRO HB3 . 7175 1 332 . 1 1 29 29 PRO HG2 H 1 1.73 0.02 . 2 . . . . 29 PRO HG2 . 7175 1 333 . 1 1 29 29 PRO HG3 H 1 1.96 0.02 . 2 . . . . 29 PRO HG3 . 7175 1 334 . 1 1 29 29 PRO HD2 H 1 3.51 0.02 . 2 . . . . 29 PRO HD2 . 7175 1 335 . 1 1 29 29 PRO HD3 H 1 3.61 0.02 . 2 . . . . 29 PRO HD3 . 7175 1 336 . 1 1 29 29 PRO C C 13 178.0 0.2 . 1 . . . . 29 PRO C . 7175 1 337 . 1 1 29 29 PRO CA C 13 64.4 0.2 . 1 . . . . 29 PRO CA . 7175 1 338 . 1 1 29 29 PRO CB C 13 31.8 0.2 . 1 . . . . 29 PRO CB . 7175 1 339 . 1 1 29 29 PRO CG C 13 27.1 0.2 . 1 . . . . 29 PRO CG . 7175 1 340 . 1 1 29 29 PRO CD C 13 50.5 0.2 . 1 . . . . 29 PRO CD . 7175 1 341 . 1 1 30 30 HIS H H 1 8.61 0.02 . 1 . . . . 30 HIS H . 7175 1 342 . 1 1 30 30 HIS HA H 1 4.63 0.02 . 1 . . . . 30 HIS HA . 7175 1 343 . 1 1 30 30 HIS HB2 H 1 3.18 0.02 . 1 . . . . 30 HIS HB2 . 7175 1 344 . 1 1 30 30 HIS HB3 H 1 3.18 0.02 . 1 . . . . 30 HIS HB3 . 7175 1 345 . 1 1 30 30 HIS HD2 H 1 7.19 0.02 . 1 . . . . 30 HIS HD2 . 7175 1 346 . 1 1 30 30 HIS C C 13 174.4 0.2 . 1 . . . . 30 HIS C . 7175 1 347 . 1 1 30 30 HIS CA C 13 55.6 0.2 . 1 . . . . 30 HIS CA . 7175 1 348 . 1 1 30 30 HIS CB C 13 28.5 0.2 . 1 . . . . 30 HIS CB . 7175 1 349 . 1 1 30 30 HIS CD2 C 13 119.8 0.2 . 1 . . . . 30 HIS CD2 . 7175 1 350 . 1 1 30 30 HIS N N 15 115.8 0.2 . 1 . . . . 30 HIS N . 7175 1 351 . 1 1 31 31 HIS H H 1 8.24 0.02 . 1 . . . . 31 HIS H . 7175 1 352 . 1 1 31 31 HIS HA H 1 4.42 0.02 . 1 . . . . 31 HIS HA . 7175 1 353 . 1 1 31 31 HIS HB2 H 1 3.18 0.02 . 2 . . . . 31 HIS HB2 . 7175 1 354 . 1 1 31 31 HIS HB3 H 1 3.25 0.02 . 2 . . . . 31 HIS HB3 . 7175 1 355 . 1 1 31 31 HIS HD2 H 1 7.17 0.02 . 1 . . . . 31 HIS HD2 . 7175 1 356 . 1 1 31 31 HIS C C 13 174.6 0.2 . 1 . . . . 31 HIS C . 7175 1 357 . 1 1 31 31 HIS CA C 13 56.7 0.2 . 1 . . . . 31 HIS CA . 7175 1 358 . 1 1 31 31 HIS CB C 13 30.5 0.2 . 1 . . . . 31 HIS CB . 7175 1 359 . 1 1 31 31 HIS CD2 C 13 119.1 0.2 . 1 . . . . 31 HIS CD2 . 7175 1 360 . 1 1 31 31 HIS N N 15 118.2 0.2 . 1 . . . . 31 HIS N . 7175 1 361 . 1 1 32 32 VAL H H 1 7.52 0.02 . 1 . . . . 32 VAL H . 7175 1 362 . 1 1 32 32 VAL HA H 1 3.59 0.02 . 1 . . . . 32 VAL HA . 7175 1 363 . 1 1 32 32 VAL HB H 1 1.93 0.02 . 1 . . . . 32 VAL HB . 7175 1 364 . 1 1 32 32 VAL HG11 H 1 0.84 0.02 . 1 . . . . 32 VAL HG1 . 7175 1 365 . 1 1 32 32 VAL HG12 H 1 0.84 0.02 . 1 . . . . 32 VAL HG1 . 7175 1 366 . 1 1 32 32 VAL HG13 H 1 0.84 0.02 . 1 . . . . 32 VAL HG1 . 7175 1 367 . 1 1 32 32 VAL HG21 H 1 0.91 0.02 . 1 . . . . 32 VAL HG2 . 7175 1 368 . 1 1 32 32 VAL HG22 H 1 0.91 0.02 . 1 . . . . 32 VAL HG2 . 7175 1 369 . 1 1 32 32 VAL HG23 H 1 0.91 0.02 . 1 . . . . 32 VAL HG2 . 7175 1 370 . 1 1 32 32 VAL C C 13 176.8 0.2 . 1 . . . . 32 VAL C . 7175 1 371 . 1 1 32 32 VAL CA C 13 64.0 0.2 . 1 . . . . 32 VAL CA . 7175 1 372 . 1 1 32 32 VAL CB C 13 32.1 0.2 . 1 . . . . 32 VAL CB . 7175 1 373 . 1 1 32 32 VAL CG1 C 13 21.0 0.02 . 1 . . . . 32 VAL CG1 . 7175 1 374 . 1 1 32 32 VAL CG2 C 13 21.2 0.02 . 1 . . . . 32 VAL CG2 . 7175 1 375 . 1 1 32 32 VAL N N 15 120.4 0.2 . 1 . . . . 32 VAL N . 7175 1 376 . 1 1 33 33 GLY H H 1 8.92 0.02 . 1 . . . . 33 GLY H . 7175 1 377 . 1 1 33 33 GLY HA2 H 1 3.87 0.02 . 2 . . . . 33 GLY HA2 . 7175 1 378 . 1 1 33 33 GLY HA3 H 1 4.13 0.02 . 2 . . . . 33 GLY HA3 . 7175 1 379 . 1 1 33 33 GLY C C 13 174.2 0.2 . 1 . . . . 33 GLY C . 7175 1 380 . 1 1 33 33 GLY CA C 13 45.0 0.2 . 1 . . . . 33 GLY CA . 7175 1 381 . 1 1 33 33 GLY N N 15 115.4 0.2 . 1 . . . . 33 GLY N . 7175 1 382 . 1 1 34 34 ARG H H 1 8.20 0.02 . 1 . . . . 34 ARG H . 7175 1 383 . 1 1 34 34 ARG HA H 1 4.35 0.02 . 1 . . . . 34 ARG HA . 7175 1 384 . 1 1 34 34 ARG HB2 H 1 1.84 0.02 . 2 . . . . 34 ARG HB2 . 7175 1 385 . 1 1 34 34 ARG HB3 H 1 1.90 0.02 . 2 . . . . 34 ARG HB3 . 7175 1 386 . 1 1 34 34 ARG HG2 H 1 1.61 0.02 . 2 . . . . 34 ARG HG2 . 7175 1 387 . 1 1 34 34 ARG HG3 H 1 1.67 0.02 . 2 . . . . 34 ARG HG3 . 7175 1 388 . 1 1 34 34 ARG HD2 H 1 3.03 0.02 . 1 . . . . 34 ARG HD2 . 7175 1 389 . 1 1 34 34 ARG HD3 H 1 3.03 0.02 . 1 . . . . 34 ARG HD3 . 7175 1 390 . 1 1 34 34 ARG HE H 1 7.22 0.02 . 1 . . . . 34 ARG HE . 7175 1 391 . 1 1 34 34 ARG C C 13 175.1 0.2 . 1 . . . . 34 ARG C . 7175 1 392 . 1 1 34 34 ARG CA C 13 56.6 0.2 . 1 . . . . 34 ARG CA . 7175 1 393 . 1 1 34 34 ARG CB C 13 31.9 0.2 . 1 . . . . 34 ARG CB . 7175 1 394 . 1 1 34 34 ARG CG C 13 27.4 0.2 . 1 . . . . 34 ARG CG . 7175 1 395 . 1 1 34 34 ARG CD C 13 44.0 0.2 . 1 . . . . 34 ARG CD . 7175 1 396 . 1 1 34 34 ARG N N 15 120.1 0.2 . 1 . . . . 34 ARG N . 7175 1 397 . 1 1 34 34 ARG NE N 15 83.9 0.2 . 1 . . . . 34 ARG NE . 7175 1 398 . 1 1 35 35 LYS H H 1 8.53 0.02 . 1 . . . . 35 LYS H . 7175 1 399 . 1 1 35 35 LYS HA H 1 5.05 0.02 . 1 . . . . 35 LYS HA . 7175 1 400 . 1 1 35 35 LYS HB2 H 1 1.67 0.02 . 2 . . . . 35 LYS HB2 . 7175 1 401 . 1 1 35 35 LYS HB3 H 1 1.78 0.02 . 2 . . . . 35 LYS HB3 . 7175 1 402 . 1 1 35 35 LYS HG2 H 1 1.32 0.02 . 2 . . . . 35 LYS HG2 . 7175 1 403 . 1 1 35 35 LYS HG3 H 1 1.48 0.02 . 2 . . . . 35 LYS HG3 . 7175 1 404 . 1 1 35 35 LYS HD2 H 1 1.58 0.02 . 1 . . . . 35 LYS HD2 . 7175 1 405 . 1 1 35 35 LYS HD3 H 1 1.58 0.02 . 1 . . . . 35 LYS HD3 . 7175 1 406 . 1 1 35 35 LYS HE2 H 1 2.90 0.02 . 1 . . . . 35 LYS HE2 . 7175 1 407 . 1 1 35 35 LYS HE3 H 1 2.90 0.02 . 1 . . . . 35 LYS HE3 . 7175 1 408 . 1 1 35 35 LYS C C 13 176.4 0.2 . 1 . . . . 35 LYS C . 7175 1 409 . 1 1 35 35 LYS CA C 13 54.9 0.2 . 1 . . . . 35 LYS CA . 7175 1 410 . 1 1 35 35 LYS CB C 13 34.8 0.2 . 1 . . . . 35 LYS CB . 7175 1 411 . 1 1 35 35 LYS CG C 13 25.7 0.2 . 1 . . . . 35 LYS CG . 7175 1 412 . 1 1 35 35 LYS CD C 13 29.2 0.2 . 1 . . . . 35 LYS CD . 7175 1 413 . 1 1 35 35 LYS CE C 13 42.0 0.2 . 1 . . . . 35 LYS CE . 7175 1 414 . 1 1 35 35 LYS N N 15 120.2 0.2 . 1 . . . . 35 LYS N . 7175 1 415 . 1 1 36 36 GLY H H 1 8.84 0.02 . 1 . . . . 36 GLY H . 7175 1 416 . 1 1 36 36 GLY HA2 H 1 3.55 0.02 . 2 . . . . 36 GLY HA2 . 7175 1 417 . 1 1 36 36 GLY HA3 H 1 4.52 0.02 . 2 . . . . 36 GLY HA3 . 7175 1 418 . 1 1 36 36 GLY C C 13 171.9 0.2 . 1 . . . . 36 GLY C . 7175 1 419 . 1 1 36 36 GLY CA C 13 46.0 0.2 . 1 . . . . 36 GLY CA . 7175 1 420 . 1 1 36 36 GLY N N 15 106.6 0.2 . 1 . . . . 36 GLY N . 7175 1 421 . 1 1 37 37 LYS H H 1 8.56 0.02 . 1 . . . . 37 LYS H . 7175 1 422 . 1 1 37 37 LYS HA H 1 5.19 0.02 . 1 . . . . 37 LYS HA . 7175 1 423 . 1 1 37 37 LYS HB2 H 1 1.47 0.02 . 1 . . . . 37 LYS HB2 . 7175 1 424 . 1 1 37 37 LYS HB3 H 1 1.47 0.02 . 1 . . . . 37 LYS HB3 . 7175 1 425 . 1 1 37 37 LYS HG2 H 1 1.12 0.02 . 2 . . . . 37 LYS HG2 . 7175 1 426 . 1 1 37 37 LYS HG3 H 1 1.16 0.02 . 2 . . . . 37 LYS HG3 . 7175 1 427 . 1 1 37 37 LYS HD2 H 1 1.54 0.02 . 1 . . . . 37 LYS HD2 . 7175 1 428 . 1 1 37 37 LYS HD3 H 1 1.54 0.02 . 1 . . . . 37 LYS HD3 . 7175 1 429 . 1 1 37 37 LYS HE2 H 1 2.84 0.02 . 1 . . . . 37 LYS HE2 . 7175 1 430 . 1 1 37 37 LYS HE3 H 1 2.84 0.02 . 1 . . . . 37 LYS HE3 . 7175 1 431 . 1 1 37 37 LYS C C 13 175.7 0.2 . 1 . . . . 37 LYS C . 7175 1 432 . 1 1 37 37 LYS CA C 13 54.2 0.2 . 1 . . . . 37 LYS CA . 7175 1 433 . 1 1 37 37 LYS CB C 13 36.1 0.2 . 1 . . . . 37 LYS CB . 7175 1 434 . 1 1 37 37 LYS CG C 13 24.5 0.2 . 1 . . . . 37 LYS CG . 7175 1 435 . 1 1 37 37 LYS CD C 13 29.4 0.2 . 1 . . . . 37 LYS CD . 7175 1 436 . 1 1 37 37 LYS CE C 13 41.9 0.2 . 1 . . . . 37 LYS CE . 7175 1 437 . 1 1 37 37 LYS N N 15 120.3 0.2 . 1 . . . . 37 LYS N . 7175 1 438 . 1 1 38 38 ILE H H 1 8.37 0.02 . 1 . . . . 38 ILE H . 7175 1 439 . 1 1 38 38 ILE HA H 1 4.09 0.02 . 1 . . . . 38 ILE HA . 7175 1 440 . 1 1 38 38 ILE HB H 1 1.98 0.02 . 1 . . . . 38 ILE HB . 7175 1 441 . 1 1 38 38 ILE HG12 H 1 0.79 0.02 . 2 . . . . 38 ILE HG12 . 7175 1 442 . 1 1 38 38 ILE HG13 H 1 1.52 0.02 . 2 . . . . 38 ILE HG13 . 7175 1 443 . 1 1 38 38 ILE HG21 H 1 1.00 0.02 . 1 . . . . 38 ILE HG2 . 7175 1 444 . 1 1 38 38 ILE HG22 H 1 1.00 0.02 . 1 . . . . 38 ILE HG2 . 7175 1 445 . 1 1 38 38 ILE HG23 H 1 1.00 0.02 . 1 . . . . 38 ILE HG2 . 7175 1 446 . 1 1 38 38 ILE HD11 H 1 0.32 0.02 . 1 . . . . 38 ILE HD1 . 7175 1 447 . 1 1 38 38 ILE HD12 H 1 0.32 0.02 . 1 . . . . 38 ILE HD1 . 7175 1 448 . 1 1 38 38 ILE HD13 H 1 0.32 0.02 . 1 . . . . 38 ILE HD1 . 7175 1 449 . 1 1 38 38 ILE C C 13 177.2 0.2 . 1 . . . . 38 ILE C . 7175 1 450 . 1 1 38 38 ILE CA C 13 62.5 0.2 . 1 . . . . 38 ILE CA . 7175 1 451 . 1 1 38 38 ILE CB C 13 37.9 0.2 . 1 . . . . 38 ILE CB . 7175 1 452 . 1 1 38 38 ILE CG1 C 13 27.9 0.2 . 1 . . . . 38 ILE CG1 . 7175 1 453 . 1 1 38 38 ILE CG2 C 13 19.4 0.2 . 1 . . . . 38 ILE CG2 . 7175 1 454 . 1 1 38 38 ILE CD1 C 13 14.0 0.2 . 1 . . . . 38 ILE CD1 . 7175 1 455 . 1 1 38 38 ILE N N 15 122.9 0.2 . 1 . . . . 38 ILE N . 7175 1 456 . 1 1 39 39 ILE H H 1 9.18 0.02 . 1 . . . . 39 ILE H . 7175 1 457 . 1 1 39 39 ILE HA H 1 4.68 0.02 . 1 . . . . 39 ILE HA . 7175 1 458 . 1 1 39 39 ILE HB H 1 1.99 0.02 . 1 . . . . 39 ILE HB . 7175 1 459 . 1 1 39 39 ILE HG12 H 1 0.94 0.02 . 2 . . . . 39 ILE HG12 . 7175 1 460 . 1 1 39 39 ILE HG13 H 1 1.28 0.02 . 2 . . . . 39 ILE HG13 . 7175 1 461 . 1 1 39 39 ILE HG21 H 1 0.89 0.02 . 1 . . . . 39 ILE HG2 . 7175 1 462 . 1 1 39 39 ILE HG22 H 1 0.89 0.02 . 1 . . . . 39 ILE HG2 . 7175 1 463 . 1 1 39 39 ILE HG23 H 1 0.89 0.02 . 1 . . . . 39 ILE HG2 . 7175 1 464 . 1 1 39 39 ILE HD11 H 1 0.83 0.02 . 1 . . . . 39 ILE HD1 . 7175 1 465 . 1 1 39 39 ILE HD12 H 1 0.83 0.02 . 1 . . . . 39 ILE HD1 . 7175 1 466 . 1 1 39 39 ILE HD13 H 1 0.83 0.02 . 1 . . . . 39 ILE HD1 . 7175 1 467 . 1 1 39 39 ILE C C 13 175.5 0.2 . 1 . . . . 39 ILE C . 7175 1 468 . 1 1 39 39 ILE CA C 13 61.0 0.2 . 1 . . . . 39 ILE CA . 7175 1 469 . 1 1 39 39 ILE CB C 13 40.0 0.2 . 1 . . . . 39 ILE CB . 7175 1 470 . 1 1 39 39 ILE CG1 C 13 26.9 0.2 . 1 . . . . 39 ILE CG1 . 7175 1 471 . 1 1 39 39 ILE CG2 C 13 18.2 0.2 . 1 . . . . 39 ILE CG2 . 7175 1 472 . 1 1 39 39 ILE CD1 C 13 13.9 0.2 . 1 . . . . 39 ILE CD1 . 7175 1 473 . 1 1 39 39 ILE N N 15 123.6 0.2 . 1 . . . . 39 ILE N . 7175 1 474 . 1 1 40 40 GLU H H 1 7.57 0.02 . 1 . . . . 40 GLU H . 7175 1 475 . 1 1 40 40 GLU HA H 1 4.36 0.02 . 1 . . . . 40 GLU HA . 7175 1 476 . 1 1 40 40 GLU HB2 H 1 1.78 0.02 . 2 . . . . 40 GLU HB2 . 7175 1 477 . 1 1 40 40 GLU HB3 H 1 1.94 0.02 . 2 . . . . 40 GLU HB3 . 7175 1 478 . 1 1 40 40 GLU HG2 H 1 2.07 0.02 . 2 . . . . 40 GLU HG2 . 7175 1 479 . 1 1 40 40 GLU HG3 H 1 2.16 0.02 . 2 . . . . 40 GLU HG3 . 7175 1 480 . 1 1 40 40 GLU C C 13 175.5 0.2 . 1 . . . . 40 GLU C . 7175 1 481 . 1 1 40 40 GLU CA C 13 56.5 0.2 . 1 . . . . 40 GLU CA . 7175 1 482 . 1 1 40 40 GLU CB C 13 34.8 0.2 . 1 . . . . 40 GLU CB . 7175 1 483 . 1 1 40 40 GLU CG C 13 36.0 0.2 . 1 . . . . 40 GLU CG . 7175 1 484 . 1 1 40 40 GLU N N 15 119.0 0.2 . 1 . . . . 40 GLU N . 7175 1 485 . 1 1 41 41 HIS H H 1 8.98 0.02 . 1 . . . . 41 HIS H . 7175 1 486 . 1 1 41 41 HIS HA H 1 4.43 0.02 . 1 . . . . 41 HIS HA . 7175 1 487 . 1 1 41 41 HIS HB2 H 1 0.72 0.02 . 2 . . . . 41 HIS HB2 . 7175 1 488 . 1 1 41 41 HIS HB3 H 1 2.34 0.02 . 2 . . . . 41 HIS HB3 . 7175 1 489 . 1 1 41 41 HIS HD2 H 1 6.54 0.02 . 1 . . . . 41 HIS HD2 . 7175 1 490 . 1 1 41 41 HIS HE1 H 1 8.51 0.02 . 1 . . . . 41 HIS HE1 . 7175 1 491 . 1 1 41 41 HIS C C 13 173.2 0.2 . 1 . . . . 41 HIS C . 7175 1 492 . 1 1 41 41 HIS CA C 13 52.9 0.2 . 1 . . . . 41 HIS CA . 7175 1 493 . 1 1 41 41 HIS CB C 13 28.1 0.2 . 1 . . . . 41 HIS CB . 7175 1 494 . 1 1 41 41 HIS CD2 C 13 114.5 0.2 . 1 . . . . 41 HIS CD2 . 7175 1 495 . 1 1 41 41 HIS CE1 C 13 137.7 0.2 . 1 . . . . 41 HIS CE1 . 7175 1 496 . 1 1 41 41 HIS N N 15 124.6 0.2 . 1 . . . . 41 HIS N . 7175 1 497 . 1 1 42 42 LEU H H 1 8.14 0.02 . 1 . . . . 42 LEU H . 7175 1 498 . 1 1 42 42 LEU HA H 1 4.49 0.02 . 1 . . . . 42 LEU HA . 7175 1 499 . 1 1 42 42 LEU HB2 H 1 1.20 0.02 . 2 . . . . 42 LEU HB2 . 7175 1 500 . 1 1 42 42 LEU HB3 H 1 1.26 0.02 . 2 . . . . 42 LEU HB3 . 7175 1 501 . 1 1 42 42 LEU HG H 1 1.15 0.02 . 1 . . . . 42 LEU HG . 7175 1 502 . 1 1 42 42 LEU HD11 H 1 0.18 0.02 . 1 . . . . 42 LEU HD1 . 7175 1 503 . 1 1 42 42 LEU HD12 H 1 0.18 0.02 . 1 . . . . 42 LEU HD1 . 7175 1 504 . 1 1 42 42 LEU HD13 H 1 0.18 0.02 . 1 . . . . 42 LEU HD1 . 7175 1 505 . 1 1 42 42 LEU HD21 H 1 0.46 0.02 . 1 . . . . 42 LEU HD2 . 7175 1 506 . 1 1 42 42 LEU HD22 H 1 0.46 0.02 . 1 . . . . 42 LEU HD2 . 7175 1 507 . 1 1 42 42 LEU HD23 H 1 0.46 0.02 . 1 . . . . 42 LEU HD2 . 7175 1 508 . 1 1 42 42 LEU CA C 13 54.0 0.2 . 1 . . . . 42 LEU CA . 7175 1 509 . 1 1 42 42 LEU CB C 13 42.9 0.2 . 1 . . . . 42 LEU CB . 7175 1 510 . 1 1 42 42 LEU CG C 13 26.7 0.2 . 1 . . . . 42 LEU CG . 7175 1 511 . 1 1 42 42 LEU CD1 C 13 26.1 0.02 . 1 . . . . 42 LEU CD1 . 7175 1 512 . 1 1 42 42 LEU CD2 C 13 21.9 0.02 . 1 . . . . 42 LEU CD2 . 7175 1 513 . 1 1 42 42 LEU N N 15 122.6 0.2 . 1 . . . . 42 LEU N . 7175 1 514 . 1 1 43 43 HIS HA H 1 4.79 0.02 . 1 . . . . 43 HIS HA . 7175 1 515 . 1 1 43 43 HIS HB2 H 1 3.14 0.02 . 2 . . . . 43 HIS HB2 . 7175 1 516 . 1 1 43 43 HIS HB3 H 1 3.39 0.02 . 2 . . . . 43 HIS HB3 . 7175 1 517 . 1 1 43 43 HIS HD2 H 1 7.28 0.02 . 1 . . . . 43 HIS HD2 . 7175 1 518 . 1 1 43 43 HIS C C 13 173.5 0.2 . 1 . . . . 43 HIS C . 7175 1 519 . 1 1 43 43 HIS CA C 13 55.7 0.2 . 1 . . . . 43 HIS CA . 7175 1 520 . 1 1 43 43 HIS CB C 13 28.8 0.2 . 1 . . . . 43 HIS CB . 7175 1 521 . 1 1 43 43 HIS CD2 C 13 119.8 0.2 . 1 . . . . 43 HIS CD2 . 7175 1 522 . 1 1 44 44 SER H H 1 7.38 0.02 . 1 . . . . 44 SER H . 7175 1 523 . 1 1 44 44 SER HA H 1 4.55 0.02 . 1 . . . . 44 SER HA . 7175 1 524 . 1 1 44 44 SER HB2 H 1 3.94 0.02 . 2 . . . . 44 SER HB2 . 7175 1 525 . 1 1 44 44 SER HB3 H 1 4.05 0.02 . 2 . . . . 44 SER HB3 . 7175 1 526 . 1 1 44 44 SER C C 13 173.4 0.2 . 1 . . . . 44 SER C . 7175 1 527 . 1 1 44 44 SER CA C 13 56.6 0.2 . 1 . . . . 44 SER CA . 7175 1 528 . 1 1 44 44 SER CB C 13 64.1 0.2 . 1 . . . . 44 SER CB . 7175 1 529 . 1 1 44 44 SER N N 15 114.9 0.2 . 1 . . . . 44 SER N . 7175 1 530 . 1 1 45 45 ALA H H 1 8.85 0.02 . 1 . . . . 45 ALA H . 7175 1 531 . 1 1 45 45 ALA HA H 1 4.20 0.02 . 1 . . . . 45 ALA HA . 7175 1 532 . 1 1 45 45 ALA HB1 H 1 1.38 0.02 . 1 . . . . 45 ALA HB . 7175 1 533 . 1 1 45 45 ALA HB2 H 1 1.38 0.02 . 1 . . . . 45 ALA HB . 7175 1 534 . 1 1 45 45 ALA HB3 H 1 1.38 0.02 . 1 . . . . 45 ALA HB . 7175 1 535 . 1 1 45 45 ALA C C 13 178.5 0.2 . 1 . . . . 45 ALA C . 7175 1 536 . 1 1 45 45 ALA CA C 13 53.8 0.2 . 1 . . . . 45 ALA CA . 7175 1 537 . 1 1 45 45 ALA CB C 13 18.9 0.2 . 1 . . . . 45 ALA CB . 7175 1 538 . 1 1 45 45 ALA N N 15 125.6 0.2 . 1 . . . . 45 ALA N . 7175 1 539 . 1 1 46 46 THR H H 1 7.98 0.02 . 1 . . . . 46 THR H . 7175 1 540 . 1 1 46 46 THR HA H 1 3.88 0.02 . 1 . . . . 46 THR HA . 7175 1 541 . 1 1 46 46 THR HB H 1 3.42 0.02 . 1 . . . . 46 THR HB . 7175 1 542 . 1 1 46 46 THR HG21 H 1 0.56 0.02 . 1 . . . . 46 THR HG2 . 7175 1 543 . 1 1 46 46 THR HG22 H 1 0.56 0.02 . 1 . . . . 46 THR HG2 . 7175 1 544 . 1 1 46 46 THR HG23 H 1 0.56 0.02 . 1 . . . . 46 THR HG2 . 7175 1 545 . 1 1 46 46 THR C C 13 172.7 0.2 . 1 . . . . 46 THR C . 7175 1 546 . 1 1 46 46 THR CA C 13 63.3 0.2 . 1 . . . . 46 THR CA . 7175 1 547 . 1 1 46 46 THR CB C 13 69.9 0.2 . 1 . . . . 46 THR CB . 7175 1 548 . 1 1 46 46 THR CG2 C 13 22.0 0.2 . 1 . . . . 46 THR CG2 . 7175 1 549 . 1 1 46 46 THR N N 15 110.2 0.2 . 1 . . . . 46 THR N . 7175 1 550 . 1 1 47 47 TYR H H 1 7.23 0.02 . 1 . . . . 47 TYR H . 7175 1 551 . 1 1 47 47 TYR HA H 1 4.45 0.02 . 1 . . . . 47 TYR HA . 7175 1 552 . 1 1 47 47 TYR HB2 H 1 2.27 0.02 . 2 . . . . 47 TYR HB2 . 7175 1 553 . 1 1 47 47 TYR HB3 H 1 2.89 0.02 . 2 . . . . 47 TYR HB3 . 7175 1 554 . 1 1 47 47 TYR HD1 H 1 6.77 0.02 . 1 . . . . 47 TYR HD1 . 7175 1 555 . 1 1 47 47 TYR HD2 H 1 6.77 0.02 . 1 . . . . 47 TYR HD2 . 7175 1 556 . 1 1 47 47 TYR HE1 H 1 6.76 0.02 . 1 . . . . 47 TYR HE1 . 7175 1 557 . 1 1 47 47 TYR HE2 H 1 6.76 0.02 . 1 . . . . 47 TYR HE2 . 7175 1 558 . 1 1 47 47 TYR C C 13 172.6 0.2 . 1 . . . . 47 TYR C . 7175 1 559 . 1 1 47 47 TYR CA C 13 56.4 0.2 . 1 . . . . 47 TYR CA . 7175 1 560 . 1 1 47 47 TYR CB C 13 43.1 0.2 . 1 . . . . 47 TYR CB . 7175 1 561 . 1 1 47 47 TYR CD1 C 13 133.6 0.02 . 1 . . . . 47 TYR CD1 . 7175 1 562 . 1 1 47 47 TYR CD2 C 13 133.6 0.02 . 1 . . . . 47 TYR CD2 . 7175 1 563 . 1 1 47 47 TYR CE1 C 13 118.5 0.02 . 1 . . . . 47 TYR CE1 . 7175 1 564 . 1 1 47 47 TYR CE2 C 13 118.5 0.02 . 1 . . . . 47 TYR CE2 . 7175 1 565 . 1 1 47 47 TYR N N 15 115.8 0.2 . 1 . . . . 47 TYR N . 7175 1 566 . 1 1 48 48 ASP H H 1 8.28 0.02 . 1 . . . . 48 ASP H . 7175 1 567 . 1 1 48 48 ASP HA H 1 4.95 0.02 . 1 . . . . 48 ASP HA . 7175 1 568 . 1 1 48 48 ASP HB2 H 1 2.43 0.02 . 2 . . . . 48 ASP HB2 . 7175 1 569 . 1 1 48 48 ASP HB3 H 1 2.54 0.02 . 2 . . . . 48 ASP HB3 . 7175 1 570 . 1 1 48 48 ASP C C 13 175.9 0.2 . 1 . . . . 48 ASP C . 7175 1 571 . 1 1 48 48 ASP CA C 13 55.7 0.2 . 1 . . . . 48 ASP CA . 7175 1 572 . 1 1 48 48 ASP CB C 13 46.6 0.2 . 1 . . . . 48 ASP CB . 7175 1 573 . 1 1 48 48 ASP N N 15 115.3 0.2 . 1 . . . . 48 ASP N . 7175 1 574 . 1 1 49 49 TYR H H 1 8.69 0.02 . 1 . . . . 49 TYR H . 7175 1 575 . 1 1 49 49 TYR HA H 1 5.56 0.02 . 1 . . . . 49 TYR HA . 7175 1 576 . 1 1 49 49 TYR HB2 H 1 2.50 0.02 . 2 . . . . 49 TYR HB2 . 7175 1 577 . 1 1 49 49 TYR HB3 H 1 3.17 0.02 . 2 . . . . 49 TYR HB3 . 7175 1 578 . 1 1 49 49 TYR HD1 H 1 7.14 0.02 . 1 . . . . 49 TYR HD1 . 7175 1 579 . 1 1 49 49 TYR HD2 H 1 7.14 0.02 . 1 . . . . 49 TYR HD2 . 7175 1 580 . 1 1 49 49 TYR HE1 H 1 6.54 0.02 . 1 . . . . 49 TYR HE1 . 7175 1 581 . 1 1 49 49 TYR HE2 H 1 6.54 0.02 . 1 . . . . 49 TYR HE2 . 7175 1 582 . 1 1 49 49 TYR C C 13 174.5 0.2 . 1 . . . . 49 TYR C . 7175 1 583 . 1 1 49 49 TYR CA C 13 56.8 0.2 . 1 . . . . 49 TYR CA . 7175 1 584 . 1 1 49 49 TYR CB C 13 44.7 0.2 . 1 . . . . 49 TYR CB . 7175 1 585 . 1 1 49 49 TYR CD1 C 13 134.1 0.02 . 1 . . . . 49 TYR CD1 . 7175 1 586 . 1 1 49 49 TYR CD2 C 13 134.1 0.02 . 1 . . . . 49 TYR CD2 . 7175 1 587 . 1 1 49 49 TYR CE1 C 13 114.5 0.02 . 1 . . . . 49 TYR CE1 . 7175 1 588 . 1 1 49 49 TYR CE2 C 13 114.5 0.02 . 1 . . . . 49 TYR CE2 . 7175 1 589 . 1 1 49 49 TYR N N 15 115.5 0.2 . 1 . . . . 49 TYR N . 7175 1 590 . 1 1 50 50 ALA H H 1 8.42 0.02 . 1 . . . . 50 ALA H . 7175 1 591 . 1 1 50 50 ALA HA H 1 5.25 0.02 . 1 . . . . 50 ALA HA . 7175 1 592 . 1 1 50 50 ALA HB1 H 1 1.39 0.02 . 1 . . . . 50 ALA HB . 7175 1 593 . 1 1 50 50 ALA HB2 H 1 1.39 0.02 . 1 . . . . 50 ALA HB . 7175 1 594 . 1 1 50 50 ALA HB3 H 1 1.39 0.02 . 1 . . . . 50 ALA HB . 7175 1 595 . 1 1 50 50 ALA C C 13 176.5 0.2 . 1 . . . . 50 ALA C . 7175 1 596 . 1 1 50 50 ALA CA C 13 51.3 0.2 . 1 . . . . 50 ALA CA . 7175 1 597 . 1 1 50 50 ALA CB C 13 21.7 0.2 . 1 . . . . 50 ALA CB . 7175 1 598 . 1 1 50 50 ALA N N 15 122.9 0.2 . 1 . . . . 50 ALA N . 7175 1 599 . 1 1 51 51 VAL H H 1 9.26 0.02 . 1 . . . . 51 VAL H . 7175 1 600 . 1 1 51 51 VAL HA H 1 4.86 0.02 . 1 . . . . 51 VAL HA . 7175 1 601 . 1 1 51 51 VAL HB H 1 2.16 0.02 . 1 . . . . 51 VAL HB . 7175 1 602 . 1 1 51 51 VAL HG11 H 1 0.53 0.02 . 1 . . . . 51 VAL HG1 . 7175 1 603 . 1 1 51 51 VAL HG12 H 1 0.53 0.02 . 1 . . . . 51 VAL HG1 . 7175 1 604 . 1 1 51 51 VAL HG13 H 1 0.53 0.02 . 1 . . . . 51 VAL HG1 . 7175 1 605 . 1 1 51 51 VAL HG21 H 1 0.84 0.02 . 1 . . . . 51 VAL HG2 . 7175 1 606 . 1 1 51 51 VAL HG22 H 1 0.84 0.02 . 1 . . . . 51 VAL HG2 . 7175 1 607 . 1 1 51 51 VAL HG23 H 1 0.84 0.02 . 1 . . . . 51 VAL HG2 . 7175 1 608 . 1 1 51 51 VAL C C 13 174.3 0.2 . 1 . . . . 51 VAL C . 7175 1 609 . 1 1 51 51 VAL CA C 13 60.5 0.2 . 1 . . . . 51 VAL CA . 7175 1 610 . 1 1 51 51 VAL CB C 13 35.9 0.2 . 1 . . . . 51 VAL CB . 7175 1 611 . 1 1 51 51 VAL CG1 C 13 20.3 0.02 . 1 . . . . 51 VAL CG1 . 7175 1 612 . 1 1 51 51 VAL CG2 C 13 23.7 0.02 . 1 . . . . 51 VAL CG2 . 7175 1 613 . 1 1 51 51 VAL N N 15 125.6 0.2 . 1 . . . . 51 VAL N . 7175 1 614 . 1 1 52 52 SER H H 1 8.70 0.02 . 1 . . . . 52 SER H . 7175 1 615 . 1 1 52 52 SER HA H 1 5.36 0.02 . 1 . . . . 52 SER HA . 7175 1 616 . 1 1 52 52 SER HB2 H 1 3.69 0.02 . 1 . . . . 52 SER HB2 . 7175 1 617 . 1 1 52 52 SER HB3 H 1 3.69 0.02 . 1 . . . . 52 SER HB3 . 7175 1 618 . 1 1 52 52 SER C C 13 175.2 0.2 . 1 . . . . 52 SER C . 7175 1 619 . 1 1 52 52 SER CA C 13 55.4 0.2 . 1 . . . . 52 SER CA . 7175 1 620 . 1 1 52 52 SER CB C 13 65.0 0.2 . 1 . . . . 52 SER CB . 7175 1 621 . 1 1 52 52 SER N N 15 121.2 0.2 . 1 . . . . 52 SER N . 7175 1 622 . 1 1 53 53 ASP H H 1 8.65 0.02 . 1 . . . . 53 ASP H . 7175 1 623 . 1 1 53 53 ASP HA H 1 5.26 0.02 . 1 . . . . 53 ASP HA . 7175 1 624 . 1 1 53 53 ASP HB2 H 1 2.61 0.02 . 2 . . . . 53 ASP HB2 . 7175 1 625 . 1 1 53 53 ASP HB3 H 1 3.29 0.02 . 2 . . . . 53 ASP HB3 . 7175 1 626 . 1 1 53 53 ASP C C 13 178.5 0.2 . 1 . . . . 53 ASP C . 7175 1 627 . 1 1 53 53 ASP CA C 13 52.8 0.2 . 1 . . . . 53 ASP CA . 7175 1 628 . 1 1 53 53 ASP CB C 13 42.8 0.2 . 1 . . . . 53 ASP CB . 7175 1 629 . 1 1 53 53 ASP N N 15 126.1 0.2 . 1 . . . . 53 ASP N . 7175 1 630 . 1 1 54 54 GLU H H 1 8.87 0.02 . 1 . . . . 54 GLU H . 7175 1 631 . 1 1 54 54 GLU HA H 1 4.14 0.02 . 1 . . . . 54 GLU HA . 7175 1 632 . 1 1 54 54 GLU HB2 H 1 2.11 0.02 . 1 . . . . 54 GLU HB2 . 7175 1 633 . 1 1 54 54 GLU HB3 H 1 2.11 0.02 . 1 . . . . 54 GLU HB3 . 7175 1 634 . 1 1 54 54 GLU HG2 H 1 2.27 0.02 . 1 . . . . 54 GLU HG2 . 7175 1 635 . 1 1 54 54 GLU HG3 H 1 2.27 0.02 . 1 . . . . 54 GLU HG3 . 7175 1 636 . 1 1 54 54 GLU C C 13 177.2 0.2 . 1 . . . . 54 GLU C . 7175 1 637 . 1 1 54 54 GLU CA C 13 58.7 0.2 . 1 . . . . 54 GLU CA . 7175 1 638 . 1 1 54 54 GLU CB C 13 29.6 0.2 . 1 . . . . 54 GLU CB . 7175 1 639 . 1 1 54 54 GLU CG C 13 36.4 0.2 . 1 . . . . 54 GLU CG . 7175 1 640 . 1 1 54 54 GLU N N 15 117.3 0.2 . 1 . . . . 54 GLU N . 7175 1 641 . 1 1 55 55 THR H H 1 8.77 0.02 . 1 . . . . 55 THR H . 7175 1 642 . 1 1 55 55 THR HA H 1 4.44 0.02 . 1 . . . . 55 THR HA . 7175 1 643 . 1 1 55 55 THR HB H 1 4.32 0.02 . 1 . . . . 55 THR HB . 7175 1 644 . 1 1 55 55 THR HG21 H 1 1.11 0.02 . 1 . . . . 55 THR HG2 . 7175 1 645 . 1 1 55 55 THR HG22 H 1 1.11 0.02 . 1 . . . . 55 THR HG2 . 7175 1 646 . 1 1 55 55 THR HG23 H 1 1.11 0.02 . 1 . . . . 55 THR HG2 . 7175 1 647 . 1 1 55 55 THR C C 13 175.5 0.2 . 1 . . . . 55 THR C . 7175 1 648 . 1 1 55 55 THR CA C 13 62.2 0.2 . 1 . . . . 55 THR CA . 7175 1 649 . 1 1 55 55 THR CB C 13 69.9 0.2 . 1 . . . . 55 THR CB . 7175 1 650 . 1 1 55 55 THR CG2 C 13 21.7 0.2 . 1 . . . . 55 THR CG2 . 7175 1 651 . 1 1 55 55 THR N N 15 111.8 0.2 . 1 . . . . 55 THR N . 7175 1 652 . 1 1 56 56 GLY H H 1 8.21 0.02 . 1 . . . . 56 GLY H . 7175 1 653 . 1 1 56 56 GLY HA2 H 1 3.58 0.02 . 2 . . . . 56 GLY HA2 . 7175 1 654 . 1 1 56 56 GLY HA3 H 1 4.32 0.02 . 2 . . . . 56 GLY HA3 . 7175 1 655 . 1 1 56 56 GLY C C 13 173.9 0.2 . 1 . . . . 56 GLY C . 7175 1 656 . 1 1 56 56 GLY CA C 13 44.7 0.2 . 1 . . . . 56 GLY CA . 7175 1 657 . 1 1 56 56 GLY N N 15 110.4 0.2 . 1 . . . . 56 GLY N . 7175 1 658 . 1 1 57 57 ASP H H 1 7.66 0.02 . 1 . . . . 57 ASP H . 7175 1 659 . 1 1 57 57 ASP HA H 1 4.54 0.02 . 1 . . . . 57 ASP HA . 7175 1 660 . 1 1 57 57 ASP HB2 H 1 2.59 0.02 . 2 . . . . 57 ASP HB2 . 7175 1 661 . 1 1 57 57 ASP HB3 H 1 2.61 0.02 . 2 . . . . 57 ASP HB3 . 7175 1 662 . 1 1 57 57 ASP C C 13 175.6 0.2 . 1 . . . . 57 ASP C . 7175 1 663 . 1 1 57 57 ASP CA C 13 54.6 0.2 . 1 . . . . 57 ASP CA . 7175 1 664 . 1 1 57 57 ASP CB C 13 41.5 0.2 . 1 . . . . 57 ASP CB . 7175 1 665 . 1 1 57 57 ASP N N 15 122.3 0.2 . 1 . . . . 57 ASP N . 7175 1 666 . 1 1 58 58 ILE H H 1 8.24 0.02 . 1 . . . . 58 ILE H . 7175 1 667 . 1 1 58 58 ILE HA H 1 4.94 0.02 . 1 . . . . 58 ILE HA . 7175 1 668 . 1 1 58 58 ILE HB H 1 1.58 0.02 . 1 . . . . 58 ILE HB . 7175 1 669 . 1 1 58 58 ILE HG12 H 1 0.82 0.02 . 2 . . . . 58 ILE HG12 . 7175 1 670 . 1 1 58 58 ILE HG13 H 1 1.62 0.02 . 2 . . . . 58 ILE HG13 . 7175 1 671 . 1 1 58 58 ILE HG21 H 1 0.67 0.02 . 1 . . . . 58 ILE HG2 . 7175 1 672 . 1 1 58 58 ILE HG22 H 1 0.67 0.02 . 1 . . . . 58 ILE HG2 . 7175 1 673 . 1 1 58 58 ILE HG23 H 1 0.67 0.02 . 1 . . . . 58 ILE HG2 . 7175 1 674 . 1 1 58 58 ILE HD11 H 1 0.80 0.02 . 1 . . . . 58 ILE HD1 . 7175 1 675 . 1 1 58 58 ILE HD12 H 1 0.80 0.02 . 1 . . . . 58 ILE HD1 . 7175 1 676 . 1 1 58 58 ILE HD13 H 1 0.80 0.02 . 1 . . . . 58 ILE HD1 . 7175 1 677 . 1 1 58 58 ILE C C 13 175.7 0.2 . 1 . . . . 58 ILE C . 7175 1 678 . 1 1 58 58 ILE CA C 13 60.6 0.2 . 1 . . . . 58 ILE CA . 7175 1 679 . 1 1 58 58 ILE CB C 13 39.2 0.2 . 1 . . . . 58 ILE CB . 7175 1 680 . 1 1 58 58 ILE CG1 C 13 27.8 0.2 . 1 . . . . 58 ILE CG1 . 7175 1 681 . 1 1 58 58 ILE CG2 C 13 17.9 0.2 . 1 . . . . 58 ILE CG2 . 7175 1 682 . 1 1 58 58 ILE CD1 C 13 13.2 0.2 . 1 . . . . 58 ILE CD1 . 7175 1 683 . 1 1 58 58 ILE N N 15 124.1 0.2 . 1 . . . . 58 ILE N . 7175 1 684 . 1 1 59 59 THR H H 1 8.53 0.02 . 1 . . . . 59 THR H . 7175 1 685 . 1 1 59 59 THR HA H 1 4.03 0.02 . 1 . . . . 59 THR HA . 7175 1 686 . 1 1 59 59 THR HB H 1 3.73 0.02 . 1 . . . . 59 THR HB . 7175 1 687 . 1 1 59 59 THR HG21 H 1 0.60 0.02 . 1 . . . . 59 THR HG2 . 7175 1 688 . 1 1 59 59 THR HG22 H 1 0.60 0.02 . 1 . . . . 59 THR HG2 . 7175 1 689 . 1 1 59 59 THR HG23 H 1 0.60 0.02 . 1 . . . . 59 THR HG2 . 7175 1 690 . 1 1 59 59 THR C C 13 171.9 0.2 . 1 . . . . 59 THR C . 7175 1 691 . 1 1 59 59 THR CA C 13 60.6 0.2 . 1 . . . . 59 THR CA . 7175 1 692 . 1 1 59 59 THR CB C 13 70.7 0.2 . 1 . . . . 59 THR CB . 7175 1 693 . 1 1 59 59 THR CG2 C 13 22.3 0.2 . 1 . . . . 59 THR CG2 . 7175 1 694 . 1 1 59 59 THR N N 15 122.9 0.2 . 1 . . . . 59 THR N . 7175 1 695 . 1 1 60 60 TYR H H 1 7.61 0.02 . 1 . . . . 60 TYR H . 7175 1 696 . 1 1 60 60 TYR HA H 1 5.45 0.02 . 1 . . . . 60 TYR HA . 7175 1 697 . 1 1 60 60 TYR HB2 H 1 1.57 0.02 . 2 . . . . 60 TYR HB2 . 7175 1 698 . 1 1 60 60 TYR HB3 H 1 1.95 0.02 . 2 . . . . 60 TYR HB3 . 7175 1 699 . 1 1 60 60 TYR HD1 H 1 6.51 0.02 . 1 . . . . 60 TYR HD1 . 7175 1 700 . 1 1 60 60 TYR HD2 H 1 6.51 0.02 . 1 . . . . 60 TYR HD2 . 7175 1 701 . 1 1 60 60 TYR HE1 H 1 6.60 0.02 . 1 . . . . 60 TYR HE1 . 7175 1 702 . 1 1 60 60 TYR HE2 H 1 6.60 0.02 . 1 . . . . 60 TYR HE2 . 7175 1 703 . 1 1 60 60 TYR C C 13 174.5 0.2 . 1 . . . . 60 TYR C . 7175 1 704 . 1 1 60 60 TYR CA C 13 53.8 0.2 . 1 . . . . 60 TYR CA . 7175 1 705 . 1 1 60 60 TYR CB C 13 37.0 0.2 . 1 . . . . 60 TYR CB . 7175 1 706 . 1 1 60 60 TYR CD1 C 13 131.2 0.02 . 1 . . . . 60 TYR CD1 . 7175 1 707 . 1 1 60 60 TYR CD2 C 13 131.2 0.02 . 1 . . . . 60 TYR CD2 . 7175 1 708 . 1 1 60 60 TYR CE1 C 13 117.8 0.02 . 1 . . . . 60 TYR CE1 . 7175 1 709 . 1 1 60 60 TYR CE2 C 13 117.8 0.02 . 1 . . . . 60 TYR CE2 . 7175 1 710 . 1 1 60 60 TYR N N 15 123.6 0.2 . 1 . . . . 60 TYR N . 7175 1 711 . 1 1 61 61 PHE H H 1 8.91 0.02 . 1 . . . . 61 PHE H . 7175 1 712 . 1 1 61 61 PHE HA H 1 5.21 0.02 . 1 . . . . 61 PHE HA . 7175 1 713 . 1 1 61 61 PHE HB2 H 1 2.35 0.02 . 2 . . . . 61 PHE HB2 . 7175 1 714 . 1 1 61 61 PHE HB3 H 1 3.68 0.02 . 2 . . . . 61 PHE HB3 . 7175 1 715 . 1 1 61 61 PHE HD1 H 1 7.13 0.02 . 1 . . . . 61 PHE HD1 . 7175 1 716 . 1 1 61 61 PHE HD2 H 1 7.13 0.02 . 1 . . . . 61 PHE HD2 . 7175 1 717 . 1 1 61 61 PHE HE1 H 1 7.08 0.02 . 1 . . . . 61 PHE HE1 . 7175 1 718 . 1 1 61 61 PHE HE2 H 1 7.08 0.02 . 1 . . . . 61 PHE HE2 . 7175 1 719 . 1 1 61 61 PHE HZ H 1 6.91 0.02 . 1 . . . . 61 PHE HZ . 7175 1 720 . 1 1 61 61 PHE C C 13 177.7 0.2 . 1 . . . . 61 PHE C . 7175 1 721 . 1 1 61 61 PHE CA C 13 58.1 0.2 . 1 . . . . 61 PHE CA . 7175 1 722 . 1 1 61 61 PHE CB C 13 46.3 0.2 . 1 . . . . 61 PHE CB . 7175 1 723 . 1 1 61 61 PHE CD1 C 13 131.6 0.02 . 1 . . . . 61 PHE CD1 . 7175 1 724 . 1 1 61 61 PHE CD2 C 13 131.6 0.02 . 1 . . . . 61 PHE CD2 . 7175 1 725 . 1 1 61 61 PHE CE1 C 13 131.2 0.02 . 1 . . . . 61 PHE CE1 . 7175 1 726 . 1 1 61 61 PHE CE2 C 13 131.2 0.02 . 1 . . . . 61 PHE CE2 . 7175 1 727 . 1 1 61 61 PHE CZ C 13 129.8 0.2 . 1 . . . . 61 PHE CZ . 7175 1 728 . 1 1 61 61 PHE N N 15 115.2 0.2 . 1 . . . . 61 PHE N . 7175 1 729 . 1 1 62 62 LYS H H 1 10.09 0.02 . 1 . . . . 62 LYS H . 7175 1 730 . 1 1 62 62 LYS HA H 1 4.75 0.02 . 1 . . . . 62 LYS HA . 7175 1 731 . 1 1 62 62 LYS HB2 H 1 1.56 0.02 . 2 . . . . 62 LYS HB2 . 7175 1 732 . 1 1 62 62 LYS HB3 H 1 2.16 0.02 . 2 . . . . 62 LYS HB3 . 7175 1 733 . 1 1 62 62 LYS HG2 H 1 1.61 0.02 . 2 . . . . 62 LYS HG2 . 7175 1 734 . 1 1 62 62 LYS HG3 H 1 1.72 0.02 . 2 . . . . 62 LYS HG3 . 7175 1 735 . 1 1 62 62 LYS HD2 H 1 1.71 0.02 . 2 . . . . 62 LYS HD2 . 7175 1 736 . 1 1 62 62 LYS HD3 H 1 1.76 0.02 . 2 . . . . 62 LYS HD3 . 7175 1 737 . 1 1 62 62 LYS HE2 H 1 2.95 0.02 . 2 . . . . 62 LYS HE2 . 7175 1 738 . 1 1 62 62 LYS HE3 H 1 3.00 0.02 . 2 . . . . 62 LYS HE3 . 7175 1 739 . 1 1 62 62 LYS C C 13 178.1 0.2 . 1 . . . . 62 LYS C . 7175 1 740 . 1 1 62 62 LYS CA C 13 56.2 0.2 . 1 . . . . 62 LYS CA . 7175 1 741 . 1 1 62 62 LYS CB C 13 34.7 0.2 . 1 . . . . 62 LYS CB . 7175 1 742 . 1 1 62 62 LYS CG C 13 26.2 0.2 . 1 . . . . 62 LYS CG . 7175 1 743 . 1 1 62 62 LYS CD C 13 29.6 0.2 . 1 . . . . 62 LYS CD . 7175 1 744 . 1 1 62 62 LYS CE C 13 42.0 0.2 . 1 . . . . 62 LYS CE . 7175 1 745 . 1 1 62 62 LYS N N 15 124.9 0.2 . 1 . . . . 62 LYS N . 7175 1 746 . 1 1 63 63 GLU H H 1 10.67 0.02 . 1 . . . . 63 GLU H . 7175 1 747 . 1 1 63 63 GLU HA H 1 4.17 0.02 . 1 . . . . 63 GLU HA . 7175 1 748 . 1 1 63 63 GLU HB2 H 1 2.40 0.02 . 1 . . . . 63 GLU HB2 . 7175 1 749 . 1 1 63 63 GLU HB3 H 1 2.40 0.02 . 1 . . . . 63 GLU HB3 . 7175 1 750 . 1 1 63 63 GLU HG2 H 1 2.25 0.02 . 2 . . . . 63 GLU HG2 . 7175 1 751 . 1 1 63 63 GLU HG3 H 1 2.31 0.02 . 2 . . . . 63 GLU HG3 . 7175 1 752 . 1 1 63 63 GLU C C 13 177.8 0.2 . 1 . . . . 63 GLU C . 7175 1 753 . 1 1 63 63 GLU CA C 13 61.9 0.2 . 1 . . . . 63 GLU CA . 7175 1 754 . 1 1 63 63 GLU CB C 13 30.7 0.2 . 1 . . . . 63 GLU CB . 7175 1 755 . 1 1 63 63 GLU CG C 13 37.7 0.2 . 1 . . . . 63 GLU CG . 7175 1 756 . 1 1 63 63 GLU N N 15 123.9 0.2 . 1 . . . . 63 GLU N . 7175 1 757 . 1 1 64 64 HIS H H 1 8.59 0.02 . 1 . . . . 64 HIS H . 7175 1 758 . 1 1 64 64 HIS HA H 1 4.72 0.02 . 1 . . . . 64 HIS HA . 7175 1 759 . 1 1 64 64 HIS HB2 H 1 3.18 0.02 . 2 . . . . 64 HIS HB2 . 7175 1 760 . 1 1 64 64 HIS HB3 H 1 3.42 0.02 . 2 . . . . 64 HIS HB3 . 7175 1 761 . 1 1 64 64 HIS HD2 H 1 7.10 0.02 . 1 . . . . 64 HIS HD2 . 7175 1 762 . 1 1 64 64 HIS HE1 H 1 8.11 0.02 . 1 . . . . 64 HIS HE1 . 7175 1 763 . 1 1 64 64 HIS C C 13 176.1 0.2 . 1 . . . . 64 HIS C . 7175 1 764 . 1 1 64 64 HIS CA C 13 57.8 0.2 . 1 . . . . 64 HIS CA . 7175 1 765 . 1 1 64 64 HIS CB C 13 28.8 0.2 . 1 . . . . 64 HIS CB . 7175 1 766 . 1 1 64 64 HIS CD2 C 13 119.4 0.2 . 1 . . . . 64 HIS CD2 . 7175 1 767 . 1 1 64 64 HIS CE1 C 13 138.0 0.2 . 1 . . . . 64 HIS CE1 . 7175 1 768 . 1 1 64 64 HIS N N 15 111.4 0.2 . 1 . . . . 64 HIS N . 7175 1 769 . 1 1 65 65 GLU H H 1 7.75 0.02 . 1 . . . . 65 GLU H . 7175 1 770 . 1 1 65 65 GLU HA H 1 4.32 0.02 . 1 . . . . 65 GLU HA . 7175 1 771 . 1 1 65 65 GLU HB2 H 1 2.32 0.02 . 2 . . . . 65 GLU HB2 . 7175 1 772 . 1 1 65 65 GLU HB3 H 1 2.57 0.02 . 2 . . . . 65 GLU HB3 . 7175 1 773 . 1 1 65 65 GLU HG2 H 1 1.77 0.02 . 2 . . . . 65 GLU HG2 . 7175 1 774 . 1 1 65 65 GLU HG3 H 1 1.92 0.02 . 2 . . . . 65 GLU HG3 . 7175 1 775 . 1 1 65 65 GLU C C 13 173.5 0.2 . 1 . . . . 65 GLU C . 7175 1 776 . 1 1 65 65 GLU CA C 13 56.8 0.2 . 1 . . . . 65 GLU CA . 7175 1 777 . 1 1 65 65 GLU CB C 13 30.5 0.2 . 1 . . . . 65 GLU CB . 7175 1 778 . 1 1 65 65 GLU CG C 13 38.2 0.2 . 1 . . . . 65 GLU CG . 7175 1 779 . 1 1 65 65 GLU N N 15 119.5 0.2 . 1 . . . . 65 GLU N . 7175 1 780 . 1 1 66 66 LEU H H 1 7.57 0.02 . 1 . . . . 66 LEU H . 7175 1 781 . 1 1 66 66 LEU HA H 1 4.94 0.02 . 1 . . . . 66 LEU HA . 7175 1 782 . 1 1 66 66 LEU HB2 H 1 0.66 0.02 . 2 . . . . 66 LEU HB2 . 7175 1 783 . 1 1 66 66 LEU HB3 H 1 1.83 0.02 . 2 . . . . 66 LEU HB3 . 7175 1 784 . 1 1 66 66 LEU HG H 1 1.63 0.02 . 1 . . . . 66 LEU HG . 7175 1 785 . 1 1 66 66 LEU HD11 H 1 0.48 0.02 . 1 . . . . 66 LEU HD1 . 7175 1 786 . 1 1 66 66 LEU HD12 H 1 0.48 0.02 . 1 . . . . 66 LEU HD1 . 7175 1 787 . 1 1 66 66 LEU HD13 H 1 0.48 0.02 . 1 . . . . 66 LEU HD1 . 7175 1 788 . 1 1 66 66 LEU HD21 H 1 0.12 0.02 . 1 . . . . 66 LEU HD2 . 7175 1 789 . 1 1 66 66 LEU HD22 H 1 0.12 0.02 . 1 . . . . 66 LEU HD2 . 7175 1 790 . 1 1 66 66 LEU HD23 H 1 0.12 0.02 . 1 . . . . 66 LEU HD2 . 7175 1 791 . 1 1 66 66 LEU C C 13 175.8 0.2 . 1 . . . . 66 LEU C . 7175 1 792 . 1 1 66 66 LEU CA C 13 52.4 0.2 . 1 . . . . 66 LEU CA . 7175 1 793 . 1 1 66 66 LEU CB C 13 45.3 0.2 . 1 . . . . 66 LEU CB . 7175 1 794 . 1 1 66 66 LEU CG C 13 26.2 0.2 . 1 . . . . 66 LEU CG . 7175 1 795 . 1 1 66 66 LEU CD1 C 13 26.7 0.02 . 1 . . . . 66 LEU CD1 . 7175 1 796 . 1 1 66 66 LEU CD2 C 13 23.1 0.02 . 1 . . . . 66 LEU CD2 . 7175 1 797 . 1 1 66 66 LEU N N 15 116.9 0.2 . 1 . . . . 66 LEU N . 7175 1 798 . 1 1 67 67 THR H H 1 8.70 0.02 . 1 . . . . 67 THR H . 7175 1 799 . 1 1 67 67 THR HA H 1 4.82 0.02 . 1 . . . . 67 THR HA . 7175 1 800 . 1 1 67 67 THR HB H 1 3.87 0.02 . 1 . . . . 67 THR HB . 7175 1 801 . 1 1 67 67 THR HG21 H 1 1.23 0.02 . 1 . . . . 67 THR HG2 . 7175 1 802 . 1 1 67 67 THR HG22 H 1 1.23 0.02 . 1 . . . . 67 THR HG2 . 7175 1 803 . 1 1 67 67 THR HG23 H 1 1.23 0.02 . 1 . . . . 67 THR HG2 . 7175 1 804 . 1 1 67 67 THR CA C 13 58.8 0.2 . 1 . . . . 67 THR CA . 7175 1 805 . 1 1 67 67 THR CB C 13 72.4 0.2 . 1 . . . . 67 THR CB . 7175 1 806 . 1 1 67 67 THR CG2 C 13 21.6 0.2 . 1 . . . . 67 THR CG2 . 7175 1 807 . 1 1 67 67 THR N N 15 117.2 0.2 . 1 . . . . 67 THR N . 7175 1 808 . 1 1 68 68 PRO HA H 1 4.14 0.02 . 1 . . . . 68 PRO HA . 7175 1 809 . 1 1 68 68 PRO HB2 H 1 1.76 0.02 . 2 . . . . 68 PRO HB2 . 7175 1 810 . 1 1 68 68 PRO HB3 H 1 1.98 0.02 . 2 . . . . 68 PRO HB3 . 7175 1 811 . 1 1 68 68 PRO HG2 H 1 1.25 0.02 . 2 . . . . 68 PRO HG2 . 7175 1 812 . 1 1 68 68 PRO HG3 H 1 2.02 0.02 . 2 . . . . 68 PRO HG3 . 7175 1 813 . 1 1 68 68 PRO HD2 H 1 3.65 0.02 . 1 . . . . 68 PRO HD2 . 7175 1 814 . 1 1 68 68 PRO HD3 H 1 3.65 0.02 . 1 . . . . 68 PRO HD3 . 7175 1 815 . 1 1 68 68 PRO C C 13 176.1 0.2 . 1 . . . . 68 PRO C . 7175 1 816 . 1 1 68 68 PRO CA C 13 63.1 0.2 . 1 . . . . 68 PRO CA . 7175 1 817 . 1 1 68 68 PRO CB C 13 32.4 0.2 . 1 . . . . 68 PRO CB . 7175 1 818 . 1 1 68 68 PRO CG C 13 28.3 0.2 . 1 . . . . 68 PRO CG . 7175 1 819 . 1 1 68 68 PRO CD C 13 51.0 0.2 . 1 . . . . 68 PRO CD . 7175 1 820 . 1 1 69 69 LEU H H 1 8.04 0.02 . 1 . . . . 69 LEU H . 7175 1 821 . 1 1 69 69 LEU HA H 1 4.23 0.02 . 1 . . . . 69 LEU HA . 7175 1 822 . 1 1 69 69 LEU HB2 H 1 1.24 0.02 . 2 . . . . 69 LEU HB2 . 7175 1 823 . 1 1 69 69 LEU HB3 H 1 1.38 0.02 . 2 . . . . 69 LEU HB3 . 7175 1 824 . 1 1 69 69 LEU HG H 1 1.34 0.02 . 1 . . . . 69 LEU HG . 7175 1 825 . 1 1 69 69 LEU HD11 H 1 0.74 0.02 . 1 . . . . 69 LEU HD1 . 7175 1 826 . 1 1 69 69 LEU HD12 H 1 0.74 0.02 . 1 . . . . 69 LEU HD1 . 7175 1 827 . 1 1 69 69 LEU HD13 H 1 0.74 0.02 . 1 . . . . 69 LEU HD1 . 7175 1 828 . 1 1 69 69 LEU HD21 H 1 0.73 0.02 . 1 . . . . 69 LEU HD2 . 7175 1 829 . 1 1 69 69 LEU HD22 H 1 0.73 0.02 . 1 . . . . 69 LEU HD2 . 7175 1 830 . 1 1 69 69 LEU HD23 H 1 0.73 0.02 . 1 . . . . 69 LEU HD2 . 7175 1 831 . 1 1 69 69 LEU C C 13 177.2 0.2 . 1 . . . . 69 LEU C . 7175 1 832 . 1 1 69 69 LEU CA C 13 54.8 0.2 . 1 . . . . 69 LEU CA . 7175 1 833 . 1 1 69 69 LEU CB C 13 42.2 0.2 . 1 . . . . 69 LEU CB . 7175 1 834 . 1 1 69 69 LEU CG C 13 26.8 0.2 . 1 . . . . 69 LEU CG . 7175 1 835 . 1 1 69 69 LEU CD1 C 13 25.3 0.02 . 1 . . . . 69 LEU CD1 . 7175 1 836 . 1 1 69 69 LEU CD2 C 13 24.0 0.02 . 1 . . . . 69 LEU CD2 . 7175 1 837 . 1 1 69 69 LEU N N 15 124.3 0.2 . 1 . . . . 69 LEU N . 7175 1 838 . 1 1 70 70 LYS H H 1 8.48 0.02 . 1 . . . . 70 LYS H . 7175 1 839 . 1 1 70 70 LYS HA H 1 4.23 0.02 . 1 . . . . 70 LYS HA . 7175 1 840 . 1 1 70 70 LYS HB2 H 1 1.70 0.02 . 2 . . . . 70 LYS HB2 . 7175 1 841 . 1 1 70 70 LYS HB3 H 1 1.75 0.02 . 2 . . . . 70 LYS HB3 . 7175 1 842 . 1 1 70 70 LYS HG2 H 1 1.33 0.02 . 2 . . . . 70 LYS HG2 . 7175 1 843 . 1 1 70 70 LYS HG3 H 1 1.40 0.02 . 2 . . . . 70 LYS HG3 . 7175 1 844 . 1 1 70 70 LYS HD2 H 1 1.62 0.02 . 1 . . . . 70 LYS HD2 . 7175 1 845 . 1 1 70 70 LYS HD3 H 1 1.62 0.02 . 1 . . . . 70 LYS HD3 . 7175 1 846 . 1 1 70 70 LYS HE2 H 1 2.93 0.02 . 1 . . . . 70 LYS HE2 . 7175 1 847 . 1 1 70 70 LYS HE3 H 1 2.93 0.02 . 1 . . . . 70 LYS HE3 . 7175 1 848 . 1 1 70 70 LYS C C 13 176.9 0.2 . 1 . . . . 70 LYS C . 7175 1 849 . 1 1 70 70 LYS CA C 13 56.6 0.2 . 1 . . . . 70 LYS CA . 7175 1 850 . 1 1 70 70 LYS CB C 13 32.9 0.2 . 1 . . . . 70 LYS CB . 7175 1 851 . 1 1 70 70 LYS CG C 13 24.9 0.2 . 1 . . . . 70 LYS CG . 7175 1 852 . 1 1 70 70 LYS CD C 13 29.1 0.2 . 1 . . . . 70 LYS CD . 7175 1 853 . 1 1 70 70 LYS CE C 13 42.0 0.2 . 1 . . . . 70 LYS CE . 7175 1 854 . 1 1 70 70 LYS N N 15 123.1 0.2 . 1 . . . . 70 LYS N . 7175 1 855 . 1 1 71 71 GLY H H 1 8.48 0.02 . 1 . . . . 71 GLY H . 7175 1 856 . 1 1 71 71 GLY HA2 H 1 3.87 0.02 . 2 . . . . 71 GLY HA2 . 7175 1 857 . 1 1 71 71 GLY HA3 H 1 3.97 0.02 . 2 . . . . 71 GLY HA3 . 7175 1 858 . 1 1 71 71 GLY C C 13 174.8 0.2 . 1 . . . . 71 GLY C . 7175 1 859 . 1 1 71 71 GLY CA C 13 45.4 0.2 . 1 . . . . 71 GLY CA . 7175 1 860 . 1 1 71 71 GLY N N 15 110.7 0.2 . 1 . . . . 71 GLY N . 7175 1 861 . 1 1 72 72 GLY H H 1 8.26 0.02 . 1 . . . . 72 GLY H . 7175 1 862 . 1 1 72 72 GLY HA2 H 1 3.93 0.02 . 1 . . . . 72 GLY HA2 . 7175 1 863 . 1 1 72 72 GLY HA3 H 1 3.93 0.02 . 1 . . . . 72 GLY HA3 . 7175 1 864 . 1 1 72 72 GLY C C 13 174.3 0.2 . 1 . . . . 72 GLY C . 7175 1 865 . 1 1 72 72 GLY CA C 13 45.2 0.2 . 1 . . . . 72 GLY CA . 7175 1 866 . 1 1 72 72 GLY N N 15 108.4 0.2 . 1 . . . . 72 GLY N . 7175 1 867 . 1 1 73 73 LEU H H 1 8.16 0.02 . 1 . . . . 73 LEU H . 7175 1 868 . 1 1 73 73 LEU HA H 1 4.24 0.02 . 1 . . . . 73 LEU HA . 7175 1 869 . 1 1 73 73 LEU HB2 H 1 1.48 0.02 . 2 . . . . 73 LEU HB2 . 7175 1 870 . 1 1 73 73 LEU HB3 H 1 1.57 0.02 . 2 . . . . 73 LEU HB3 . 7175 1 871 . 1 1 73 73 LEU HG H 1 1.57 0.02 . 1 . . . . 73 LEU HG . 7175 1 872 . 1 1 73 73 LEU HD11 H 1 0.86 0.02 . 1 . . . . 73 LEU HD1 . 7175 1 873 . 1 1 73 73 LEU HD12 H 1 0.86 0.02 . 1 . . . . 73 LEU HD1 . 7175 1 874 . 1 1 73 73 LEU HD13 H 1 0.86 0.02 . 1 . . . . 73 LEU HD1 . 7175 1 875 . 1 1 73 73 LEU HD21 H 1 0.81 0.02 . 1 . . . . 73 LEU HD2 . 7175 1 876 . 1 1 73 73 LEU HD22 H 1 0.81 0.02 . 1 . . . . 73 LEU HD2 . 7175 1 877 . 1 1 73 73 LEU HD23 H 1 0.81 0.02 . 1 . . . . 73 LEU HD2 . 7175 1 878 . 1 1 73 73 LEU C C 13 177.2 0.2 . 1 . . . . 73 LEU C . 7175 1 879 . 1 1 73 73 LEU CA C 13 55.5 0.2 . 1 . . . . 73 LEU CA . 7175 1 880 . 1 1 73 73 LEU CB C 13 42.2 0.2 . 1 . . . . 73 LEU CB . 7175 1 881 . 1 1 73 73 LEU CG C 13 26.9 0.2 . 1 . . . . 73 LEU CG . 7175 1 882 . 1 1 73 73 LEU CD1 C 13 24.9 0.02 . 1 . . . . 73 LEU CD1 . 7175 1 883 . 1 1 73 73 LEU CD2 C 13 23.6 0.02 . 1 . . . . 73 LEU CD2 . 7175 1 884 . 1 1 73 73 LEU N N 15 121.6 0.2 . 1 . . . . 73 LEU N . 7175 1 885 . 1 1 74 74 ALA H H 1 8.21 0.02 . 1 . . . . 74 ALA H . 7175 1 886 . 1 1 74 74 ALA HA H 1 4.18 0.02 . 1 . . . . 74 ALA HA . 7175 1 887 . 1 1 74 74 ALA HB1 H 1 1.28 0.02 . 1 . . . . 74 ALA HB . 7175 1 888 . 1 1 74 74 ALA HB2 H 1 1.28 0.02 . 1 . . . . 74 ALA HB . 7175 1 889 . 1 1 74 74 ALA HB3 H 1 1.28 0.02 . 1 . . . . 74 ALA HB . 7175 1 890 . 1 1 74 74 ALA C C 13 177.7 0.2 . 1 . . . . 74 ALA C . 7175 1 891 . 1 1 74 74 ALA CA C 13 53.1 0.2 . 1 . . . . 74 ALA CA . 7175 1 892 . 1 1 74 74 ALA CB C 13 18.9 0.2 . 1 . . . . 74 ALA CB . 7175 1 893 . 1 1 74 74 ALA N N 15 123.1 0.2 . 1 . . . . 74 ALA N . 7175 1 894 . 1 1 75 75 TYR H H 1 7.89 0.02 . 1 . . . . 75 TYR H . 7175 1 895 . 1 1 75 75 TYR HA H 1 4.47 0.02 . 1 . . . . 75 TYR HA . 7175 1 896 . 1 1 75 75 TYR HB2 H 1 2.94 0.02 . 2 . . . . 75 TYR HB2 . 7175 1 897 . 1 1 75 75 TYR HB3 H 1 2.99 0.02 . 2 . . . . 75 TYR HB3 . 7175 1 898 . 1 1 75 75 TYR HD1 H 1 7.02 0.02 . 1 . . . . 75 TYR HD1 . 7175 1 899 . 1 1 75 75 TYR HD2 H 1 7.02 0.02 . 1 . . . . 75 TYR HD2 . 7175 1 900 . 1 1 75 75 TYR HE1 H 1 6.71 0.02 . 1 . . . . 75 TYR HE1 . 7175 1 901 . 1 1 75 75 TYR HE2 H 1 6.71 0.02 . 1 . . . . 75 TYR HE2 . 7175 1 902 . 1 1 75 75 TYR C C 13 175.9 0.2 . 1 . . . . 75 TYR C . 7175 1 903 . 1 1 75 75 TYR CA C 13 58.4 0.2 . 1 . . . . 75 TYR CA . 7175 1 904 . 1 1 75 75 TYR CB C 13 38.7 0.2 . 1 . . . . 75 TYR CB . 7175 1 905 . 1 1 75 75 TYR CD1 C 13 133.2 0.02 . 1 . . . . 75 TYR CD1 . 7175 1 906 . 1 1 75 75 TYR CD2 C 13 133.2 0.02 . 1 . . . . 75 TYR CD2 . 7175 1 907 . 1 1 75 75 TYR CE1 C 13 118.2 0.02 . 1 . . . . 75 TYR CE1 . 7175 1 908 . 1 1 75 75 TYR CE2 C 13 118.2 0.02 . 1 . . . . 75 TYR CE2 . 7175 1 909 . 1 1 75 75 TYR N N 15 118.5 0.2 . 1 . . . . 75 TYR N . 7175 1 910 . 1 1 76 76 VAL H H 1 7.89 0.02 . 1 . . . . 76 VAL H . 7175 1 911 . 1 1 76 76 VAL HA H 1 3.92 0.02 . 1 . . . . 76 VAL HA . 7175 1 912 . 1 1 76 76 VAL HB H 1 1.99 0.02 . 1 . . . . 76 VAL HB . 7175 1 913 . 1 1 76 76 VAL HG11 H 1 0.85 0.02 . 2 . . . . 76 VAL HG1 . 7175 1 914 . 1 1 76 76 VAL HG12 H 1 0.85 0.02 . 2 . . . . 76 VAL HG1 . 7175 1 915 . 1 1 76 76 VAL HG13 H 1 0.85 0.02 . 2 . . . . 76 VAL HG1 . 7175 1 916 . 1 1 76 76 VAL HG21 H 1 0.89 0.02 . 2 . . . . 76 VAL HG2 . 7175 1 917 . 1 1 76 76 VAL HG22 H 1 0.89 0.02 . 2 . . . . 76 VAL HG2 . 7175 1 918 . 1 1 76 76 VAL HG23 H 1 0.89 0.02 . 2 . . . . 76 VAL HG2 . 7175 1 919 . 1 1 76 76 VAL C C 13 176.1 0.2 . 1 . . . . 76 VAL C . 7175 1 920 . 1 1 76 76 VAL CA C 13 62.8 0.2 . 1 . . . . 76 VAL CA . 7175 1 921 . 1 1 76 76 VAL CB C 13 32.7 0.2 . 1 . . . . 76 VAL CB . 7175 1 922 . 1 1 76 76 VAL CG1 C 13 21.0 0.02 . 1 . . . . 76 VAL CG1 . 7175 1 923 . 1 1 76 76 VAL CG2 C 13 21.0 0.02 . 1 . . . . 76 VAL CG2 . 7175 1 924 . 1 1 76 76 VAL N N 15 121.4 0.2 . 1 . . . . 76 VAL N . 7175 1 925 . 1 1 77 77 LEU H H 1 8.14 0.02 . 1 . . . . 77 LEU H . 7175 1 926 . 1 1 77 77 LEU HA H 1 4.19 0.02 . 1 . . . . 77 LEU HA . 7175 1 927 . 1 1 77 77 LEU HB2 H 1 1.47 0.02 . 2 . . . . 77 LEU HB2 . 7175 1 928 . 1 1 77 77 LEU HB3 H 1 1.57 0.02 . 2 . . . . 77 LEU HB3 . 7175 1 929 . 1 1 77 77 LEU HG H 1 1.58 0.02 . 1 . . . . 77 LEU HG . 7175 1 930 . 1 1 77 77 LEU HD11 H 1 0.84 0.02 . 2 . . . . 77 LEU HD1 . 7175 1 931 . 1 1 77 77 LEU HD12 H 1 0.84 0.02 . 2 . . . . 77 LEU HD1 . 7175 1 932 . 1 1 77 77 LEU HD13 H 1 0.84 0.02 . 2 . . . . 77 LEU HD1 . 7175 1 933 . 1 1 77 77 LEU HD21 H 1 0.82 0.02 . 2 . . . . 77 LEU HD2 . 7175 1 934 . 1 1 77 77 LEU HD22 H 1 0.82 0.02 . 2 . . . . 77 LEU HD2 . 7175 1 935 . 1 1 77 77 LEU HD23 H 1 0.82 0.02 . 2 . . . . 77 LEU HD2 . 7175 1 936 . 1 1 77 77 LEU C C 13 177.3 0.2 . 1 . . . . 77 LEU C . 7175 1 937 . 1 1 77 77 LEU CA C 13 55.5 0.2 . 1 . . . . 77 LEU CA . 7175 1 938 . 1 1 77 77 LEU CB C 13 42.2 0.2 . 1 . . . . 77 LEU CB . 7175 1 939 . 1 1 77 77 LEU CG C 13 27.2 0.2 . 1 . . . . 77 LEU CG . 7175 1 940 . 1 1 77 77 LEU CD1 C 13 25.0 0.02 . 2 . . . . 77 LEU CD1 . 7175 1 941 . 1 1 77 77 LEU CD2 C 13 23.6 0.02 . 2 . . . . 77 LEU CD2 . 7175 1 942 . 1 1 77 77 LEU N N 15 124.5 0.2 . 1 . . . . 77 LEU N . 7175 1 943 . 1 1 78 78 GLU H H 1 8.16 0.02 . 1 . . . . 78 GLU H . 7175 1 944 . 1 1 78 78 GLU HA H 1 4.12 0.02 . 1 . . . . 78 GLU HA . 7175 1 945 . 1 1 78 78 GLU HB2 H 1 1.83 0.02 . 1 . . . . 78 GLU HB2 . 7175 1 946 . 1 1 78 78 GLU HB3 H 1 1.83 0.02 . 1 . . . . 78 GLU HB3 . 7175 1 947 . 1 1 78 78 GLU HG2 H 1 2.09 0.02 . 2 . . . . 78 GLU HG2 . 7175 1 948 . 1 1 78 78 GLU HG3 H 1 2.16 0.02 . 2 . . . . 78 GLU HG3 . 7175 1 949 . 1 1 78 78 GLU C C 13 176.2 0.2 . 1 . . . . 78 GLU C . 7175 1 950 . 1 1 78 78 GLU CA C 13 56.5 0.2 . 1 . . . . 78 GLU CA . 7175 1 951 . 1 1 78 78 GLU CB C 13 30.2 0.2 . 1 . . . . 78 GLU CB . 7175 1 952 . 1 1 78 78 GLU CG C 13 36.0 0.2 . 1 . . . . 78 GLU CG . 7175 1 953 . 1 1 78 78 GLU N N 15 121.0 0.2 . 1 . . . . 78 GLU N . 7175 1 954 . 1 1 79 79 HIS H H 1 8.31 0.02 . 1 . . . . 79 HIS H . 7175 1 955 . 1 1 79 79 HIS HA H 1 4.51 0.02 . 1 . . . . 79 HIS HA . 7175 1 956 . 1 1 79 79 HIS HB2 H 1 2.92 0.02 . 2 . . . . 79 HIS HB2 . 7175 1 957 . 1 1 79 79 HIS HB3 H 1 3.07 0.02 . 2 . . . . 79 HIS HB3 . 7175 1 958 . 1 1 79 79 HIS HD2 H 1 7.03 0.02 . 1 . . . . 79 HIS HD2 . 7175 1 959 . 1 1 79 79 HIS C C 13 174.5 0.2 . 1 . . . . 79 HIS C . 7175 1 960 . 1 1 79 79 HIS CA C 13 55.6 0.2 . 1 . . . . 79 HIS CA . 7175 1 961 . 1 1 79 79 HIS CB C 13 29.3 0.2 . 1 . . . . 79 HIS CB . 7175 1 962 . 1 1 79 79 HIS CD2 C 13 119.8 0.2 . 1 . . . . 79 HIS CD2 . 7175 1 963 . 1 1 79 79 HIS N N 15 118.8 0.2 . 1 . . . . 79 HIS N . 7175 1 964 . 1 1 80 80 HIS H H 1 8.36 0.02 . 1 . . . . 80 HIS H . 7175 1 965 . 1 1 80 80 HIS HA H 1 4.53 0.02 . 1 . . . . 80 HIS HA . 7175 1 966 . 1 1 80 80 HIS HB2 H 1 3.04 0.02 . 2 . . . . 80 HIS HB2 . 7175 1 967 . 1 1 80 80 HIS HB3 H 1 3.12 0.02 . 2 . . . . 80 HIS HB3 . 7175 1 968 . 1 1 80 80 HIS HD2 H 1 7.10 0.02 . 1 . . . . 80 HIS HD2 . 7175 1 969 . 1 1 80 80 HIS C C 13 174.3 0.2 . 1 . . . . 80 HIS C . 7175 1 970 . 1 1 80 80 HIS CA C 13 55.4 0.2 . 1 . . . . 80 HIS CA . 7175 1 971 . 1 1 80 80 HIS CB C 13 29.4 0.2 . 1 . . . . 80 HIS CB . 7175 1 972 . 1 1 80 80 HIS CD2 C 13 119.9 0.2 . 1 . . . . 80 HIS CD2 . 7175 1 973 . 1 1 80 80 HIS N N 15 119.2 0.2 . 1 . . . . 80 HIS N . 7175 1 974 . 1 1 81 81 HIS H H 1 8.52 0.02 . 1 . . . . 81 HIS H . 7175 1 975 . 1 1 81 81 HIS HA H 1 4.56 0.02 . 1 . . . . 81 HIS HA . 7175 1 976 . 1 1 81 81 HIS HB2 H 1 3.02 0.02 . 2 . . . . 81 HIS HB2 . 7175 1 977 . 1 1 81 81 HIS HB3 H 1 3.09 0.02 . 2 . . . . 81 HIS HB3 . 7175 1 978 . 1 1 81 81 HIS HD2 H 1 7.16 0.02 . 1 . . . . 81 HIS HD2 . 7175 1 979 . 1 1 81 81 HIS C C 13 174.3 0.2 . 1 . . . . 81 HIS C . 7175 1 980 . 1 1 81 81 HIS CA C 13 55.5 0.2 . 1 . . . . 81 HIS CA . 7175 1 981 . 1 1 81 81 HIS CB C 13 29.6 0.2 . 1 . . . . 81 HIS CB . 7175 1 982 . 1 1 81 81 HIS CD2 C 13 119.6 0.2 . 1 . . . . 81 HIS CD2 . 7175 1 983 . 1 1 81 81 HIS N N 15 120.5 0.2 . 1 . . . . 81 HIS N . 7175 1 984 . 1 1 82 82 HIS H H 1 8.48 0.02 . 1 . . . . 82 HIS H . 7175 1 985 . 1 1 82 82 HIS HA H 1 4.59 0.02 . 1 . . . . 82 HIS HA . 7175 1 986 . 1 1 82 82 HIS HB2 H 1 3.14 0.02 . 1 . . . . 82 HIS HB2 . 7175 1 987 . 1 1 82 82 HIS HB3 H 1 3.14 0.02 . 1 . . . . 82 HIS HB3 . 7175 1 988 . 1 1 82 82 HIS HD2 H 1 7.18 0.02 . 1 . . . . 82 HIS HD2 . 7175 1 989 . 1 1 82 82 HIS C C 13 173.6 0.2 . 1 . . . . 82 HIS C . 7175 1 990 . 1 1 82 82 HIS CA C 13 55.4 0.2 . 1 . . . . 82 HIS CA . 7175 1 991 . 1 1 82 82 HIS CB C 13 29.5 0.2 . 1 . . . . 82 HIS CB . 7175 1 992 . 1 1 82 82 HIS CD2 C 13 120.2 0.2 . 1 . . . . 82 HIS CD2 . 7175 1 993 . 1 1 82 82 HIS N N 15 119.7 0.2 . 1 . . . . 82 HIS N . 7175 1 994 . 1 1 83 83 HIS H H 1 8.31 0.02 . 1 . . . . 83 HIS H . 7175 1 995 . 1 1 83 83 HIS HA H 1 4.40 0.02 . 1 . . . . 83 HIS HA . 7175 1 996 . 1 1 83 83 HIS HB2 H 1 3.06 0.02 . 2 . . . . 83 HIS HB2 . 7175 1 997 . 1 1 83 83 HIS HB3 H 1 3.17 0.02 . 2 . . . . 83 HIS HB3 . 7175 1 998 . 1 1 83 83 HIS CA C 13 57.1 0.2 . 1 . . . . 83 HIS CA . 7175 1 999 . 1 1 83 83 HIS CB C 13 29.8 0.2 . 1 . . . . 83 HIS CB . 7175 1 1000 . 1 1 83 83 HIS N N 15 125.4 0.2 . 1 . . . . 83 HIS N . 7175 1 stop_ save_