data_6517 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6517 _Entry.Title ; NMR structure of P. aeruginosa protein PA4738: Northeast Structural Genomics Consortium target PaP2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-02-19 _Entry.Accession_date 2005-02-21 _Entry.Last_release_date 2005-04-26 _Entry.Original_release_date 2005-04-26 _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 John Cort . R. . 6517 2 Michael Kennedy . A. . 6517 3 Shuisong Ni . . . 6517 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . NESGC . 6517 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6517 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 280 6517 '15N chemical shifts' 68 6517 '1H chemical shifts' 438 6517 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 . . 2005-04-26 2005-02-19 original author . 6517 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6517 _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 Pseudomonas aeruginosa protein PA4738' _Citation.Status 'in preparation' _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 John Cort . R. . 6517 1 2 Michael Kennedy . A. . 6517 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6517 _Assembly.ID 1 _Assembly.Name PA4738 _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 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details polypeptide _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 PA4738 1 $PA4738 . . yes native no no . . . 6517 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PA4738 _Entity.Sf_category entity _Entity.Sf_framecode PA4738 _Entity.Entry_ID 6517 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PA4738 _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 ; MNSDVIKGKWKQLTGKIKER WGDLTDDDLQAADGHAEYLV GKLQERYGWSKERAEQEVRD FSDRL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 65 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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 1YWW . "Nmr Structure Of P. Aeruginosa Protein Pa4738: Northeast Structural Genomics Consortium Target Pap2" . . . . . 100.00 85 100.00 100.00 3.01e-38 . . . . 6517 1 2 no DBJ BAK87684 . "hypothetical protein NCGM2_0801 [Pseudomonas aeruginosa NCGM2.S1]" . . . . . 100.00 65 100.00 100.00 9.42e-38 . . . . 6517 1 3 no DBJ BAP24533 . "hypothetical protein NCGM1900_5468 [Pseudomonas aeruginosa]" . . . . . 100.00 65 100.00 100.00 9.42e-38 . . . . 6517 1 4 no DBJ BAP53307 . "hypothetical protein NCGM1984_5372 [Pseudomonas aeruginosa]" . . . . . 100.00 65 100.00 100.00 9.42e-38 . . . . 6517 1 5 no DBJ GAA20805 . "conserved hypothetical protein [Pseudomonas aeruginosa NCMG1179]" . . . . . 100.00 65 100.00 100.00 9.42e-38 . . . . 6517 1 6 no EMBL CAW29877 . "conserved hypothetical protein [Pseudomonas aeruginosa LESB58]" . . . . . 100.00 65 100.00 100.00 9.42e-38 . . . . 6517 1 7 no EMBL CCQ88990 . "Protein yjbJ [Pseudomonas aeruginosa 18A]" . . . . . 100.00 65 100.00 100.00 9.42e-38 . . . . 6517 1 8 no EMBL CDH73490 . "hypothetical protein P38_5303 [Pseudomonas aeruginosa MH38]" . . . . . 100.00 65 100.00 100.00 9.42e-38 . . . . 6517 1 9 no EMBL CDH79804 . "hypothetical protein PAMH27_5450 [Pseudomonas aeruginosa MH27]" . . . . . 100.00 65 100.00 100.00 9.42e-38 . . . . 6517 1 10 no EMBL CDI93297 . "CsbD family protein [Pseudomonas aeruginosa PA38182]" . . . . . 100.00 65 100.00 100.00 9.42e-38 . . . . 6517 1 11 no GB AAG08124 . "conserved hypothetical protein [Pseudomonas aeruginosa PAO1]" . . . . . 100.00 65 100.00 100.00 9.42e-38 . . . . 6517 1 12 no GB AAT50542 . "PA4738, partial [synthetic construct]" . . . . . 100.00 66 100.00 100.00 1.12e-37 . . . . 6517 1 13 no GB ABJ14121 . "conserved hypothetical protein [Pseudomonas aeruginosa UCBPP-PA14]" . . . . . 100.00 65 100.00 100.00 9.42e-38 . . . . 6517 1 14 no GB ABR86199 . "conserved hypothetical protein [Pseudomonas aeruginosa PA7]" . . . . . 100.00 65 100.00 100.00 9.42e-38 . . . . 6517 1 15 no GB AEO77326 . "hypothetical protein PAM18_4846 [Pseudomonas aeruginosa M18]" . . . . . 100.00 65 100.00 100.00 9.42e-38 . . . . 6517 1 16 no REF NP_253426 . "hypothetical protein PA4738 [Pseudomonas aeruginosa PAO1]" . . . . . 100.00 65 100.00 100.00 9.42e-38 . . . . 6517 1 17 no REF WP_003095174 . "MULTISPECIES: hypothetical protein [Pseudomonas]" . . . . . 100.00 65 100.00 100.00 9.42e-38 . . . . 6517 1 18 no REF WP_003121075 . "hypothetical protein, partial [Pseudomonas aeruginosa]" . . . . . 89.23 58 100.00 100.00 2.41e-32 . . . . 6517 1 19 no REF WP_031766196 . "hypothetical protein, partial [Pseudomonas aeruginosa]" . . . . . 98.46 64 100.00 100.00 4.59e-37 . . . . 6517 1 20 no REF WP_031799240 . "hypothetical protein, partial [Pseudomonas aeruginosa]" . . . . . 61.54 40 100.00 100.00 1.69e-18 . . . . 6517 1 21 no SP Q9HV61 . "RecName: Full=UPF0337 protein PA4738 [Pseudomonas aeruginosa PAO1]" . . . . . 100.00 65 100.00 100.00 9.42e-38 . . . . 6517 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 . 6517 1 2 . ASN . 6517 1 3 . SER . 6517 1 4 . ASP . 6517 1 5 . VAL . 6517 1 6 . ILE . 6517 1 7 . LYS . 6517 1 8 . GLY . 6517 1 9 . LYS . 6517 1 10 . TRP . 6517 1 11 . LYS . 6517 1 12 . GLN . 6517 1 13 . LEU . 6517 1 14 . THR . 6517 1 15 . GLY . 6517 1 16 . LYS . 6517 1 17 . ILE . 6517 1 18 . LYS . 6517 1 19 . GLU . 6517 1 20 . ARG . 6517 1 21 . TRP . 6517 1 22 . GLY . 6517 1 23 . ASP . 6517 1 24 . LEU . 6517 1 25 . THR . 6517 1 26 . ASP . 6517 1 27 . ASP . 6517 1 28 . ASP . 6517 1 29 . LEU . 6517 1 30 . GLN . 6517 1 31 . ALA . 6517 1 32 . ALA . 6517 1 33 . ASP . 6517 1 34 . GLY . 6517 1 35 . HIS . 6517 1 36 . ALA . 6517 1 37 . GLU . 6517 1 38 . TYR . 6517 1 39 . LEU . 6517 1 40 . VAL . 6517 1 41 . GLY . 6517 1 42 . LYS . 6517 1 43 . LEU . 6517 1 44 . GLN . 6517 1 45 . GLU . 6517 1 46 . ARG . 6517 1 47 . TYR . 6517 1 48 . GLY . 6517 1 49 . TRP . 6517 1 50 . SER . 6517 1 51 . LYS . 6517 1 52 . GLU . 6517 1 53 . ARG . 6517 1 54 . ALA . 6517 1 55 . GLU . 6517 1 56 . GLN . 6517 1 57 . GLU . 6517 1 58 . VAL . 6517 1 59 . ARG . 6517 1 60 . ASP . 6517 1 61 . PHE . 6517 1 62 . SER . 6517 1 63 . ASP . 6517 1 64 . ARG . 6517 1 65 . LEU . 6517 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 6517 1 . ASN 2 2 6517 1 . SER 3 3 6517 1 . ASP 4 4 6517 1 . VAL 5 5 6517 1 . ILE 6 6 6517 1 . LYS 7 7 6517 1 . GLY 8 8 6517 1 . LYS 9 9 6517 1 . TRP 10 10 6517 1 . LYS 11 11 6517 1 . GLN 12 12 6517 1 . LEU 13 13 6517 1 . THR 14 14 6517 1 . GLY 15 15 6517 1 . LYS 16 16 6517 1 . ILE 17 17 6517 1 . LYS 18 18 6517 1 . GLU 19 19 6517 1 . ARG 20 20 6517 1 . TRP 21 21 6517 1 . GLY 22 22 6517 1 . ASP 23 23 6517 1 . LEU 24 24 6517 1 . THR 25 25 6517 1 . ASP 26 26 6517 1 . ASP 27 27 6517 1 . ASP 28 28 6517 1 . LEU 29 29 6517 1 . GLN 30 30 6517 1 . ALA 31 31 6517 1 . ALA 32 32 6517 1 . ASP 33 33 6517 1 . GLY 34 34 6517 1 . HIS 35 35 6517 1 . ALA 36 36 6517 1 . GLU 37 37 6517 1 . TYR 38 38 6517 1 . LEU 39 39 6517 1 . VAL 40 40 6517 1 . GLY 41 41 6517 1 . LYS 42 42 6517 1 . LEU 43 43 6517 1 . GLN 44 44 6517 1 . GLU 45 45 6517 1 . ARG 46 46 6517 1 . TYR 47 47 6517 1 . GLY 48 48 6517 1 . TRP 49 49 6517 1 . SER 50 50 6517 1 . LYS 51 51 6517 1 . GLU 52 52 6517 1 . ARG 53 53 6517 1 . ALA 54 54 6517 1 . GLU 55 55 6517 1 . GLN 56 56 6517 1 . GLU 57 57 6517 1 . VAL 58 58 6517 1 . ARG 59 59 6517 1 . ASP 60 60 6517 1 . PHE 61 61 6517 1 . SER 62 62 6517 1 . ASP 63 63 6517 1 . ARG 64 64 6517 1 . LEU 65 65 6517 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 6517 _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 $PA4738 . 287 organism . 'Pseudomonas aeruginosa' 'Pseudomonas aeruginosa' . . Eubacteria 'Not applicable' Pseudomonas aeruginosa PA01 . . . . . . . . . . . . . . . . . . . . 6517 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 6517 _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 $PA4738 . 'recombinant technology' . 'E. coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . . . . . . . . 6517 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6517 _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 PA4738 '[U-13C; U-15N]' . . 1 $PA4738 . . 1 . . mM . . . . 6517 1 2 NaCl . . . . . . . 1 . . M . . . . 6517 1 3 'Tris HCl' . . . . . . . 20 . . mM . . . . 6517 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 6517 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.8 0.1 pH 6517 1 temperature 298 1 K 6517 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer _NMR_spectrometer.Entry_ID 6517 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength '600 MHz' save_ save_800MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 800MHz_spectrometer _NMR_spectrometer.Entry_ID 6517 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength '800 MHz' save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6517 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '1H15N HSQC' no 1 $1H15N_HSQC . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6517 1 2 '1H13C HSQC' no 1 $1H15N_HSQC . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6517 1 3 HNCACB no 1 $1H15N_HSQC . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6517 1 4 CBCACONH no 1 $1H15N_HSQC . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6517 1 5 HCCH-TOCSY no 1 $1H15N_HSQC . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6517 1 6 HCCH-COSY no 1 $1H15N_HSQC . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6517 1 7 CC-TOCSY-NH no 1 $1H15N_HSQC . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6517 1 8 HCC-TOCSY-NH no 1 $1H15N_HSQC . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6517 1 9 HNHA no 1 $1H15N_HSQC . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6517 1 stop_ save_ save_1H15N_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H15N_HSQC _NMR_spec_expt.Entry_ID 6517 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 1H15N_HSQC _NMR_spec_expt.Type . _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 . _NMR_spec_expt.NMR_spectrometer_label . _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 . 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 6517 _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 6517 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6517 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 6517 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 6517 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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 $sample_1 isotropic 6517 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 ASN HD21 H 1 7.02 0.02 . 2 . . . . . ASN HD21 . 6517 1 2 . 1 1 2 2 ASN HD22 H 1 7.73 0.02 . 2 . . . . . ASN HD22 . 6517 1 3 . 1 1 2 2 ASN CG C 13 177.1 0.2 . 1 . . . . . ASN CG . 6517 1 4 . 1 1 2 2 ASN ND2 N 15 113.3 0.2 . 1 . . . . . ASN ND2 . 6517 1 5 . 1 1 4 4 ASP HA H 1 4.87 0.02 . 1 . . . . . ASP HA . 6517 1 6 . 1 1 4 4 ASP HB2 H 1 2.84 0.02 . 2 . . . . . ASP HB2 . 6517 1 7 . 1 1 4 4 ASP HB3 H 1 3.00 0.02 . 2 . . . . . ASP HB3 . 6517 1 8 . 1 1 4 4 ASP C C 13 177.3 0.2 . 1 . . . . . ASP C . 6517 1 9 . 1 1 4 4 ASP CA C 13 54.2 0.2 . 1 . . . . . ASP CA . 6517 1 10 . 1 1 4 4 ASP CB C 13 41.3 0.2 . 1 . . . . . ASP CB . 6517 1 11 . 1 1 5 5 VAL H H 1 8.45 0.02 . 1 . . . . . VAL H . 6517 1 12 . 1 1 5 5 VAL HA H 1 4.17 0.02 . 1 . . . . . VAL HA . 6517 1 13 . 1 1 5 5 VAL HB H 1 2.28 0.02 . 1 . . . . . VAL HB . 6517 1 14 . 1 1 5 5 VAL HG11 H 1 1.09 0.02 . 1 . . . . . VAL HG1 . 6517 1 15 . 1 1 5 5 VAL HG12 H 1 1.09 0.02 . 1 . . . . . VAL HG1 . 6517 1 16 . 1 1 5 5 VAL HG13 H 1 1.09 0.02 . 1 . . . . . VAL HG1 . 6517 1 17 . 1 1 5 5 VAL HG21 H 1 1.11 0.02 . 1 . . . . . VAL HG2 . 6517 1 18 . 1 1 5 5 VAL HG22 H 1 1.11 0.02 . 1 . . . . . VAL HG2 . 6517 1 19 . 1 1 5 5 VAL HG23 H 1 1.11 0.02 . 1 . . . . . VAL HG2 . 6517 1 20 . 1 1 5 5 VAL C C 13 176.3 0.2 . 1 . . . . . VAL C . 6517 1 21 . 1 1 5 5 VAL CA C 13 64.0 0.2 . 1 . . . . . VAL CA . 6517 1 22 . 1 1 5 5 VAL CB C 13 32.0 0.2 . 1 . . . . . VAL CB . 6517 1 23 . 1 1 5 5 VAL CG1 C 13 21.1 0.2 . 1 . . . . . VAL CG1 . 6517 1 24 . 1 1 5 5 VAL CG2 C 13 21.3 0.2 . 1 . . . . . VAL CG2 . 6517 1 25 . 1 1 5 5 VAL N N 15 124.2 0.2 . 1 . . . . . VAL N . 6517 1 26 . 1 1 6 6 ILE H H 1 8.12 0.02 . 1 . . . . . ILE H . 6517 1 27 . 1 1 6 6 ILE HA H 1 3.86 0.02 . 1 . . . . . ILE HA . 6517 1 28 . 1 1 6 6 ILE HB H 1 2.42 0.02 . 1 . . . . . ILE HB . 6517 1 29 . 1 1 6 6 ILE HG12 H 1 1.53 0.02 . 2 . . . . . ILE HG12 . 6517 1 30 . 1 1 6 6 ILE HG13 H 1 1.74 0.02 . 2 . . . . . ILE HG13 . 6517 1 31 . 1 1 6 6 ILE HG21 H 1 1.17 0.02 . 1 . . . . . ILE HG2 . 6517 1 32 . 1 1 6 6 ILE HG22 H 1 1.17 0.02 . 1 . . . . . ILE HG2 . 6517 1 33 . 1 1 6 6 ILE HG23 H 1 1.17 0.02 . 1 . . . . . ILE HG2 . 6517 1 34 . 1 1 6 6 ILE HD11 H 1 1.13 0.02 . 1 . . . . . ILE HD1 . 6517 1 35 . 1 1 6 6 ILE HD12 H 1 1.13 0.02 . 1 . . . . . ILE HD1 . 6517 1 36 . 1 1 6 6 ILE HD13 H 1 1.13 0.02 . 1 . . . . . ILE HD1 . 6517 1 37 . 1 1 6 6 ILE C C 13 176.7 0.2 . 1 . . . . . ILE C . 6517 1 38 . 1 1 6 6 ILE CA C 13 63.3 0.2 . 1 . . . . . ILE CA . 6517 1 39 . 1 1 6 6 ILE CB C 13 36.8 0.2 . 1 . . . . . ILE CB . 6517 1 40 . 1 1 6 6 ILE CG1 C 13 28.8 0.2 . 1 . . . . . ILE CG1 . 6517 1 41 . 1 1 6 6 ILE CG2 C 13 18.1 0.2 . 1 . . . . . ILE CG2 . 6517 1 42 . 1 1 6 6 ILE CD1 C 13 11.9 0.2 . 1 . . . . . ILE CD1 . 6517 1 43 . 1 1 6 6 ILE N N 15 120.6 0.2 . 1 . . . . . ILE N . 6517 1 44 . 1 1 7 7 LYS H H 1 7.58 0.02 . 1 . . . . . LYS H . 6517 1 45 . 1 1 7 7 LYS HA H 1 4.55 0.02 . 1 . . . . . LYS HA . 6517 1 46 . 1 1 7 7 LYS HB2 H 1 2.06 0.02 . 2 . . . . . LYS HB2 . 6517 1 47 . 1 1 7 7 LYS HB3 H 1 2.10 0.02 . 2 . . . . . LYS HB3 . 6517 1 48 . 1 1 7 7 LYS HG2 H 1 1.52 0.02 . 2 . . . . . LYS HG2 . 6517 1 49 . 1 1 7 7 LYS HG3 H 1 1.67 0.02 . 2 . . . . . LYS HG3 . 6517 1 50 . 1 1 7 7 LYS HD2 H 1 1.80 0.02 . 2 . . . . . LYS HD2 . 6517 1 51 . 1 1 7 7 LYS HD3 H 1 1.82 0.02 . 2 . . . . . LYS HD3 . 6517 1 52 . 1 1 7 7 LYS HE2 H 1 3.04 0.02 . 2 . . . . . LYS HE2 . 6517 1 53 . 1 1 7 7 LYS HE3 H 1 3.06 0.02 . 2 . . . . . LYS HE3 . 6517 1 54 . 1 1 7 7 LYS C C 13 179.9 0.2 . 1 . . . . . LYS C . 6517 1 55 . 1 1 7 7 LYS CA C 13 58.4 0.2 . 1 . . . . . LYS CA . 6517 1 56 . 1 1 7 7 LYS CB C 13 33.3 0.2 . 1 . . . . . LYS CB . 6517 1 57 . 1 1 7 7 LYS CG C 13 24.7 0.2 . 1 . . . . . LYS CG . 6517 1 58 . 1 1 7 7 LYS CD C 13 29.8 0.2 . 1 . . . . . LYS CD . 6517 1 59 . 1 1 7 7 LYS CE C 13 42.5 0.2 . 1 . . . . . LYS CE . 6517 1 60 . 1 1 7 7 LYS N N 15 118.3 0.2 . 1 . . . . . LYS N . 6517 1 61 . 1 1 8 8 GLY H H 1 8.63 0.02 . 1 . . . . . GLY H . 6517 1 62 . 1 1 8 8 GLY HA2 H 1 4.03 0.02 . 2 . . . . . GLY HA2 . 6517 1 63 . 1 1 8 8 GLY HA3 H 1 4.19 0.02 . 2 . . . . . GLY HA3 . 6517 1 64 . 1 1 8 8 GLY C C 13 175.7 0.2 . 1 . . . . . GLY C . 6517 1 65 . 1 1 8 8 GLY CA C 13 46.8 0.2 . 1 . . . . . GLY CA . 6517 1 66 . 1 1 8 8 GLY N N 15 107.0 0.2 . 1 . . . . . GLY N . 6517 1 67 . 1 1 9 9 LYS H H 1 8.19 0.02 . 1 . . . . . LYS H . 6517 1 68 . 1 1 9 9 LYS HA H 1 4.90 0.02 . 1 . . . . . LYS HA . 6517 1 69 . 1 1 9 9 LYS HB2 H 1 1.84 0.02 . 2 . . . . . LYS HB2 . 6517 1 70 . 1 1 9 9 LYS HB3 H 1 2.20 0.02 . 2 . . . . . LYS HB3 . 6517 1 71 . 1 1 9 9 LYS HG2 H 1 1.45 0.02 . 2 . . . . . LYS HG2 . 6517 1 72 . 1 1 9 9 LYS HG3 H 1 1.60 0.02 . 2 . . . . . LYS HG3 . 6517 1 73 . 1 1 9 9 LYS HD2 H 1 1.67 0.02 . 2 . . . . . LYS HD2 . 6517 1 74 . 1 1 9 9 LYS HD3 H 1 1.76 0.02 . 2 . . . . . LYS HD3 . 6517 1 75 . 1 1 9 9 LYS HE2 H 1 3.04 0.02 . 2 . . . . . LYS HE2 . 6517 1 76 . 1 1 9 9 LYS HE3 H 1 3.06 0.02 . 2 . . . . . LYS HE3 . 6517 1 77 . 1 1 9 9 LYS C C 13 176.2 0.2 . 1 . . . . . LYS C . 6517 1 78 . 1 1 9 9 LYS CA C 13 55.3 0.2 . 1 . . . . . LYS CA . 6517 1 79 . 1 1 9 9 LYS CB C 13 33.0 0.2 . 1 . . . . . LYS CB . 6517 1 80 . 1 1 9 9 LYS CG C 13 25.3 0.2 . 1 . . . . . LYS CG . 6517 1 81 . 1 1 9 9 LYS CD C 13 29.6 0.2 . 1 . . . . . LYS CD . 6517 1 82 . 1 1 9 9 LYS CE C 13 42.3 0.2 . 1 . . . . . LYS CE . 6517 1 83 . 1 1 9 9 LYS N N 15 118.2 0.2 . 1 . . . . . LYS N . 6517 1 84 . 1 1 10 10 TRP H H 1 7.47 0.02 . 1 . . . . . TRP H . 6517 1 85 . 1 1 10 10 TRP HA H 1 4.34 0.02 . 1 . . . . . TRP HA . 6517 1 86 . 1 1 10 10 TRP HB2 H 1 3.28 0.02 . 2 . . . . . TRP HB2 . 6517 1 87 . 1 1 10 10 TRP HB3 H 1 3.88 0.02 . 2 . . . . . TRP HB3 . 6517 1 88 . 1 1 10 10 TRP HD1 H 1 7.27 0.02 . 1 . . . . . TRP HD1 . 6517 1 89 . 1 1 10 10 TRP HE1 H 1 10.14 0.02 . 1 . . . . . TRP HE1 . 6517 1 90 . 1 1 10 10 TRP HE3 H 1 7.60 0.02 . 1 . . . . . TRP HE3 . 6517 1 91 . 1 1 10 10 TRP HZ2 H 1 7.67 0.02 . 1 . . . . . TRP HZ2 . 6517 1 92 . 1 1 10 10 TRP HZ3 H 1 6.86 0.02 . 1 . . . . . TRP HZ3 . 6517 1 93 . 1 1 10 10 TRP HH2 H 1 7.13 0.02 . 1 . . . . . TRP HH2 . 6517 1 94 . 1 1 10 10 TRP C C 13 177.7 0.2 . 1 . . . . . TRP C . 6517 1 95 . 1 1 10 10 TRP CA C 13 61.8 0.2 . 1 . . . . . TRP CA . 6517 1 96 . 1 1 10 10 TRP CB C 13 31.1 0.2 . 1 . . . . . TRP CB . 6517 1 97 . 1 1 10 10 TRP CD1 C 13 127.6 0.2 . 1 . . . . . TRP CD1 . 6517 1 98 . 1 1 10 10 TRP CE3 C 13 121.6 0.2 . 1 . . . . . TRP CE3 . 6517 1 99 . 1 1 10 10 TRP CZ2 C 13 114.4 0.2 . 1 . . . . . TRP CZ2 . 6517 1 100 . 1 1 10 10 TRP CZ3 C 13 120.7 0.2 . 1 . . . . . TRP CZ3 . 6517 1 101 . 1 1 10 10 TRP CH2 C 13 123.1 0.2 . 1 . . . . . TRP CH2 . 6517 1 102 . 1 1 10 10 TRP N N 15 121.9 0.2 . 1 . . . . . TRP N . 6517 1 103 . 1 1 10 10 TRP NE1 N 15 129.6 0.2 . 1 . . . . . TRP NE1 . 6517 1 104 . 1 1 11 11 LYS H H 1 8.66 0.02 . 1 . . . . . LYS H . 6517 1 105 . 1 1 11 11 LYS HA H 1 4.07 0.02 . 1 . . . . . LYS HA . 6517 1 106 . 1 1 11 11 LYS HB2 H 1 1.98 0.02 . 2 . . . . . LYS HB2 . 6517 1 107 . 1 1 11 11 LYS HB3 H 1 2.04 0.02 . 2 . . . . . LYS HB3 . 6517 1 108 . 1 1 11 11 LYS HG2 H 1 1.72 0.02 . 2 . . . . . LYS HG2 . 6517 1 109 . 1 1 11 11 LYS HG3 H 1 1.84 0.02 . 2 . . . . . LYS HG3 . 6517 1 110 . 1 1 11 11 LYS HD2 H 1 1.86 0.02 . 2 . . . . . LYS HD2 . 6517 1 111 . 1 1 11 11 LYS HD3 H 1 1.93 0.02 . 2 . . . . . LYS HD3 . 6517 1 112 . 1 1 11 11 LYS HE2 H 1 3.21 0.02 . 2 . . . . . LYS HE2 . 6517 1 113 . 1 1 11 11 LYS HE3 H 1 3.23 0.02 . 2 . . . . . LYS HE3 . 6517 1 114 . 1 1 11 11 LYS C C 13 178.9 0.2 . 1 . . . . . LYS C . 6517 1 115 . 1 1 11 11 LYS CA C 13 59.1 0.2 . 1 . . . . . LYS CA . 6517 1 116 . 1 1 11 11 LYS CB C 13 32.1 0.2 . 1 . . . . . LYS CB . 6517 1 117 . 1 1 11 11 LYS CG C 13 25.7 0.2 . 1 . . . . . LYS CG . 6517 1 118 . 1 1 11 11 LYS CD C 13 29.3 0.2 . 1 . . . . . LYS CD . 6517 1 119 . 1 1 11 11 LYS CE C 13 42.3 0.2 . 1 . . . . . LYS CE . 6517 1 120 . 1 1 11 11 LYS N N 15 114.3 0.2 . 1 . . . . . LYS N . 6517 1 121 . 1 1 12 12 GLN H H 1 8.19 0.02 . 1 . . . . . GLN H . 6517 1 122 . 1 1 12 12 GLN HA H 1 4.46 0.02 . 1 . . . . . GLN HA . 6517 1 123 . 1 1 12 12 GLN HB2 H 1 2.30 0.02 . 2 . . . . . GLN HB2 . 6517 1 124 . 1 1 12 12 GLN HB3 H 1 2.34 0.02 . 2 . . . . . GLN HB3 . 6517 1 125 . 1 1 12 12 GLN HG2 H 1 2.49 0.02 . 2 . . . . . GLN HG2 . 6517 1 126 . 1 1 12 12 GLN HG3 H 1 2.62 0.02 . 2 . . . . . GLN HG3 . 6517 1 127 . 1 1 12 12 GLN HE21 H 1 7.00 0.02 . 2 . . . . . GLN HE21 . 6517 1 128 . 1 1 12 12 GLN HE22 H 1 7.69 0.02 . 2 . . . . . GLN HE22 . 6517 1 129 . 1 1 12 12 GLN C C 13 177.9 0.2 . 1 . . . . . GLN C . 6517 1 130 . 1 1 12 12 GLN CA C 13 57.1 0.2 . 1 . . . . . GLN CA . 6517 1 131 . 1 1 12 12 GLN CB C 13 29.1 0.2 . 1 . . . . . GLN CB . 6517 1 132 . 1 1 12 12 GLN CG C 13 34.7 0.2 . 1 . . . . . GLN CG . 6517 1 133 . 1 1 12 12 GLN CD C 13 180.5 0.2 . 1 . . . . . GLN CD . 6517 1 134 . 1 1 12 12 GLN N N 15 116.1 0.2 . 1 . . . . . GLN N . 6517 1 135 . 1 1 12 12 GLN NE2 N 15 112.6 0.2 . 1 . . . . . GLN NE2 . 6517 1 136 . 1 1 13 13 LEU H H 1 7.93 0.02 . 1 . . . . . LEU H . 6517 1 137 . 1 1 13 13 LEU HA H 1 4.55 0.02 . 1 . . . . . LEU HA . 6517 1 138 . 1 1 13 13 LEU HB2 H 1 1.70 0.02 . 2 . . . . . LEU HB2 . 6517 1 139 . 1 1 13 13 LEU HB3 H 1 1.84 0.02 . 2 . . . . . LEU HB3 . 6517 1 140 . 1 1 13 13 LEU HG H 1 1.99 0.02 . 1 . . . . . LEU HG . 6517 1 141 . 1 1 13 13 LEU HD11 H 1 1.04 0.02 . 1 . . . . . LEU HD1 . 6517 1 142 . 1 1 13 13 LEU HD12 H 1 1.04 0.02 . 1 . . . . . LEU HD1 . 6517 1 143 . 1 1 13 13 LEU HD13 H 1 1.04 0.02 . 1 . . . . . LEU HD1 . 6517 1 144 . 1 1 13 13 LEU HD21 H 1 1.01 0.02 . 1 . . . . . LEU HD2 . 6517 1 145 . 1 1 13 13 LEU HD22 H 1 1.01 0.02 . 1 . . . . . LEU HD2 . 6517 1 146 . 1 1 13 13 LEU HD23 H 1 1.01 0.02 . 1 . . . . . LEU HD2 . 6517 1 147 . 1 1 13 13 LEU C C 13 177.1 0.2 . 1 . . . . . LEU C . 6517 1 148 . 1 1 13 13 LEU CA C 13 55.0 0.2 . 1 . . . . . LEU CA . 6517 1 149 . 1 1 13 13 LEU CB C 13 44.2 0.2 . 1 . . . . . LEU CB . 6517 1 150 . 1 1 13 13 LEU CG C 13 26.4 0.2 . 1 . . . . . LEU CG . 6517 1 151 . 1 1 13 13 LEU CD1 C 13 27.7 0.2 . 1 . . . . . LEU CD1 . 6517 1 152 . 1 1 13 13 LEU CD2 C 13 23.8 0.2 . 1 . . . . . LEU CD2 . 6517 1 153 . 1 1 13 13 LEU N N 15 118.9 0.2 . 1 . . . . . LEU N . 6517 1 154 . 1 1 14 14 THR H H 1 7.45 0.02 . 1 . . . . . THR H . 6517 1 155 . 1 1 14 14 THR HA H 1 3.48 0.02 . 1 . . . . . THR HA . 6517 1 156 . 1 1 14 14 THR HB H 1 4.00 0.02 . 1 . . . . . THR HB . 6517 1 157 . 1 1 14 14 THR HG21 H 1 1.01 0.02 . 1 . . . . . THR HG2 . 6517 1 158 . 1 1 14 14 THR HG22 H 1 1.01 0.02 . 1 . . . . . THR HG2 . 6517 1 159 . 1 1 14 14 THR HG23 H 1 1.01 0.02 . 1 . . . . . THR HG2 . 6517 1 160 . 1 1 14 14 THR C C 13 175.8 0.2 . 1 . . . . . THR C . 6517 1 161 . 1 1 14 14 THR CA C 13 67.1 0.2 . 1 . . . . . THR CA . 6517 1 162 . 1 1 14 14 THR CB C 13 68.8 0.2 . 1 . . . . . THR CB . 6517 1 163 . 1 1 14 14 THR CG2 C 13 22.3 0.2 . 1 . . . . . THR CG2 . 6517 1 164 . 1 1 14 14 THR N N 15 113.3 0.2 . 1 . . . . . THR N . 6517 1 165 . 1 1 15 15 GLY H H 1 8.36 0.02 . 1 . . . . . GLY H . 6517 1 166 . 1 1 15 15 GLY HA2 H 1 3.81 0.02 . 2 . . . . . GLY HA2 . 6517 1 167 . 1 1 15 15 GLY HA3 H 1 3.94 0.02 . 2 . . . . . GLY HA3 . 6517 1 168 . 1 1 15 15 GLY C C 13 176.4 0.2 . 1 . . . . . GLY C . 6517 1 169 . 1 1 15 15 GLY CA C 13 47.2 0.2 . 1 . . . . . GLY CA . 6517 1 170 . 1 1 15 15 GLY N N 15 108.4 0.2 . 1 . . . . . GLY N . 6517 1 171 . 1 1 16 16 LYS H H 1 7.90 0.02 . 1 . . . . . LYS H . 6517 1 172 . 1 1 16 16 LYS HA H 1 4.14 0.02 . 1 . . . . . LYS HA . 6517 1 173 . 1 1 16 16 LYS HB2 H 1 2.05 0.02 . 2 . . . . . LYS HB2 . 6517 1 174 . 1 1 16 16 LYS HB3 H 1 2.10 0.02 . 2 . . . . . LYS HB3 . 6517 1 175 . 1 1 16 16 LYS HG2 H 1 1.61 0.02 . 2 . . . . . LYS HG2 . 6517 1 176 . 1 1 16 16 LYS HG3 H 1 1.73 0.02 . 2 . . . . . LYS HG3 . 6517 1 177 . 1 1 16 16 LYS HD2 H 1 1.68 0.02 . 2 . . . . . LYS HD2 . 6517 1 178 . 1 1 16 16 LYS HD3 H 1 1.70 0.02 . 2 . . . . . LYS HD3 . 6517 1 179 . 1 1 16 16 LYS HE2 H 1 3.02 0.02 . 2 . . . . . LYS HE2 . 6517 1 180 . 1 1 16 16 LYS HE3 H 1 3.04 0.02 . 2 . . . . . LYS HE3 . 6517 1 181 . 1 1 16 16 LYS C C 13 179.8 0.2 . 1 . . . . . LYS C . 6517 1 182 . 1 1 16 16 LYS CA C 13 59.0 0.2 . 1 . . . . . LYS CA . 6517 1 183 . 1 1 16 16 LYS CB C 13 32.9 0.2 . 1 . . . . . LYS CB . 6517 1 184 . 1 1 16 16 LYS CG C 13 25.7 0.2 . 1 . . . . . LYS CG . 6517 1 185 . 1 1 16 16 LYS CD C 13 29.2 0.2 . 1 . . . . . LYS CD . 6517 1 186 . 1 1 16 16 LYS CE C 13 42.2 0.2 . 1 . . . . . LYS CE . 6517 1 187 . 1 1 16 16 LYS N N 15 123.4 0.2 . 1 . . . . . LYS N . 6517 1 188 . 1 1 17 17 ILE H H 1 8.67 0.02 . 1 . . . . . ILE H . 6517 1 189 . 1 1 17 17 ILE HA H 1 3.46 0.02 . 1 . . . . . ILE HA . 6517 1 190 . 1 1 17 17 ILE HB H 1 1.81 0.02 . 1 . . . . . ILE HB . 6517 1 191 . 1 1 17 17 ILE HG12 H 1 0.80 0.02 . 2 . . . . . ILE HG12 . 6517 1 192 . 1 1 17 17 ILE HG13 H 1 1.95 0.02 . 2 . . . . . ILE HG13 . 6517 1 193 . 1 1 17 17 ILE HG21 H 1 1.08 0.02 . 1 . . . . . ILE HG2 . 6517 1 194 . 1 1 17 17 ILE HG22 H 1 1.08 0.02 . 1 . . . . . ILE HG2 . 6517 1 195 . 1 1 17 17 ILE HG23 H 1 1.08 0.02 . 1 . . . . . ILE HG2 . 6517 1 196 . 1 1 17 17 ILE HD11 H 1 0.55 0.02 . 1 . . . . . ILE HD1 . 6517 1 197 . 1 1 17 17 ILE HD12 H 1 0.55 0.02 . 1 . . . . . ILE HD1 . 6517 1 198 . 1 1 17 17 ILE HD13 H 1 0.55 0.02 . 1 . . . . . ILE HD1 . 6517 1 199 . 1 1 17 17 ILE C C 13 176.9 0.2 . 1 . . . . . ILE C . 6517 1 200 . 1 1 17 17 ILE CA C 13 65.6 0.2 . 1 . . . . . ILE CA . 6517 1 201 . 1 1 17 17 ILE CB C 13 38.3 0.2 . 1 . . . . . ILE CB . 6517 1 202 . 1 1 17 17 ILE CG1 C 13 30.9 0.2 . 1 . . . . . ILE CG1 . 6517 1 203 . 1 1 17 17 ILE CG2 C 13 19.5 0.2 . 1 . . . . . ILE CG2 . 6517 1 204 . 1 1 17 17 ILE CD1 C 13 14.2 0.2 . 1 . . . . . ILE CD1 . 6517 1 205 . 1 1 17 17 ILE N N 15 121.8 0.2 . 1 . . . . . ILE N . 6517 1 206 . 1 1 18 18 LYS H H 1 7.93 0.02 . 1 . . . . . LYS H . 6517 1 207 . 1 1 18 18 LYS HA H 1 4.01 0.02 . 1 . . . . . LYS HA . 6517 1 208 . 1 1 18 18 LYS HB2 H 1 1.81 0.02 . 2 . . . . . LYS HB2 . 6517 1 209 . 1 1 18 18 LYS HB3 H 1 1.97 0.02 . 2 . . . . . LYS HB3 . 6517 1 210 . 1 1 18 18 LYS HG2 H 1 1.51 0.02 . 2 . . . . . LYS HG2 . 6517 1 211 . 1 1 18 18 LYS HG3 H 1 1.53 0.02 . 2 . . . . . LYS HG3 . 6517 1 212 . 1 1 18 18 LYS HD2 H 1 1.59 0.02 . 2 . . . . . LYS HD2 . 6517 1 213 . 1 1 18 18 LYS HD3 H 1 1.77 0.02 . 2 . . . . . LYS HD3 . 6517 1 214 . 1 1 18 18 LYS HE2 H 1 2.99 0.02 . 2 . . . . . LYS HE2 . 6517 1 215 . 1 1 18 18 LYS HE3 H 1 3.04 0.02 . 2 . . . . . LYS HE3 . 6517 1 216 . 1 1 18 18 LYS C C 13 178.0 0.2 . 1 . . . . . LYS C . 6517 1 217 . 1 1 18 18 LYS CA C 13 58.2 0.2 . 1 . . . . . LYS CA . 6517 1 218 . 1 1 18 18 LYS CB C 13 32.4 0.2 . 1 . . . . . LYS CB . 6517 1 219 . 1 1 18 18 LYS CG C 13 25.1 0.2 . 1 . . . . . LYS CG . 6517 1 220 . 1 1 18 18 LYS CD C 13 29.0 0.2 . 1 . . . . . LYS CD . 6517 1 221 . 1 1 18 18 LYS CE C 13 42.5 0.2 . 1 . . . . . LYS CE . 6517 1 222 . 1 1 18 18 LYS N N 15 119.2 0.2 . 1 . . . . . LYS N . 6517 1 223 . 1 1 19 19 GLU H H 1 7.65 0.02 . 1 . . . . . GLU H . 6517 1 224 . 1 1 19 19 GLU HA H 1 3.93 0.02 . 1 . . . . . GLU HA . 6517 1 225 . 1 1 19 19 GLU HB2 H 1 2.05 0.02 . 2 . . . . . GLU HB2 . 6517 1 226 . 1 1 19 19 GLU HB3 H 1 2.10 0.02 . 2 . . . . . GLU HB3 . 6517 1 227 . 1 1 19 19 GLU HG2 H 1 2.23 0.02 . 2 . . . . . GLU HG2 . 6517 1 228 . 1 1 19 19 GLU HG3 H 1 2.39 0.02 . 2 . . . . . GLU HG3 . 6517 1 229 . 1 1 19 19 GLU C C 13 177.7 0.2 . 1 . . . . . GLU C . 6517 1 230 . 1 1 19 19 GLU CA C 13 58.5 0.2 . 1 . . . . . GLU CA . 6517 1 231 . 1 1 19 19 GLU CB C 13 30.1 0.2 . 1 . . . . . GLU CB . 6517 1 232 . 1 1 19 19 GLU CG C 13 36.6 0.2 . 1 . . . . . GLU CG . 6517 1 233 . 1 1 19 19 GLU N N 15 116.0 0.2 . 1 . . . . . GLU N . 6517 1 234 . 1 1 20 20 ARG H H 1 7.31 0.02 . 1 . . . . . ARG H . 6517 1 235 . 1 1 20 20 ARG HA H 1 3.94 0.02 . 1 . . . . . ARG HA . 6517 1 236 . 1 1 20 20 ARG HB2 H 1 0.90 0.02 . 2 . . . . . ARG HB2 . 6517 1 237 . 1 1 20 20 ARG HB3 H 1 1.29 0.02 . 2 . . . . . ARG HB3 . 6517 1 238 . 1 1 20 20 ARG HG2 H 1 0.06 0.02 . 2 . . . . . ARG HG2 . 6517 1 239 . 1 1 20 20 ARG HG3 H 1 -0.40 0.02 . 2 . . . . . ARG HG3 . 6517 1 240 . 1 1 20 20 ARG HD2 H 1 2.13 0.02 . 2 . . . . . ARG HD2 . 6517 1 241 . 1 1 20 20 ARG HD3 H 1 2.88 0.02 . 2 . . . . . ARG HD3 . 6517 1 242 . 1 1 20 20 ARG C C 13 176.5 0.2 . 1 . . . . . ARG C . 6517 1 243 . 1 1 20 20 ARG CA C 13 57.8 0.2 . 1 . . . . . ARG CA . 6517 1 244 . 1 1 20 20 ARG CB C 13 29.9 0.2 . 1 . . . . . ARG CB . 6517 1 245 . 1 1 20 20 ARG CG C 13 25.7 0.2 . 1 . . . . . ARG CG . 6517 1 246 . 1 1 20 20 ARG CD C 13 42.6 0.2 . 1 . . . . . ARG CD . 6517 1 247 . 1 1 20 20 ARG N N 15 119.0 0.2 . 1 . . . . . ARG N . 6517 1 248 . 1 1 21 21 TRP H H 1 8.25 0.02 . 1 . . . . . TRP H . 6517 1 249 . 1 1 21 21 TRP HA H 1 5.15 0.02 . 1 . . . . . TRP HA . 6517 1 250 . 1 1 21 21 TRP HB2 H 1 3.16 0.02 . 2 . . . . . TRP HB2 . 6517 1 251 . 1 1 21 21 TRP HB3 H 1 3.38 0.02 . 2 . . . . . TRP HB3 . 6517 1 252 . 1 1 21 21 TRP HD1 H 1 7.09 0.02 . 1 . . . . . TRP HD1 . 6517 1 253 . 1 1 21 21 TRP HE1 H 1 10.58 0.02 . 1 . . . . . TRP HE1 . 6517 1 254 . 1 1 21 21 TRP HE3 H 1 7.70 0.02 . 1 . . . . . TRP HE3 . 6517 1 255 . 1 1 21 21 TRP HZ2 H 1 7.34 0.02 . 1 . . . . . TRP HZ2 . 6517 1 256 . 1 1 21 21 TRP HZ3 H 1 6.10 0.02 . 1 . . . . . TRP HZ3 . 6517 1 257 . 1 1 21 21 TRP HH2 H 1 6.64 0.02 . 1 . . . . . TRP HH2 . 6517 1 258 . 1 1 21 21 TRP C C 13 176.1 0.2 . 1 . . . . . TRP C . 6517 1 259 . 1 1 21 21 TRP CA C 13 56.8 0.2 . 1 . . . . . TRP CA . 6517 1 260 . 1 1 21 21 TRP CB C 13 27.2 0.2 . 1 . . . . . TRP CB . 6517 1 261 . 1 1 21 21 TRP CD1 C 13 126.3 0.2 . 1 . . . . . TRP CD1 . 6517 1 262 . 1 1 21 21 TRP CE3 C 13 121.3 0.2 . 1 . . . . . TRP CE3 . 6517 1 263 . 1 1 21 21 TRP CZ2 C 13 113.2 0.2 . 1 . . . . . TRP CZ2 . 6517 1 264 . 1 1 21 21 TRP CZ3 C 13 120.0 0.2 . 1 . . . . . TRP CZ3 . 6517 1 265 . 1 1 21 21 TRP CH2 C 13 124.0 0.2 . 1 . . . . . TRP CH2 . 6517 1 266 . 1 1 21 21 TRP N N 15 120.4 0.2 . 1 . . . . . TRP N . 6517 1 267 . 1 1 21 21 TRP NE1 N 15 128.5 0.2 . 1 . . . . . TRP NE1 . 6517 1 268 . 1 1 22 22 GLY H H 1 8.03 0.02 . 1 . . . . . GLY H . 6517 1 269 . 1 1 22 22 GLY HA2 H 1 3.91 0.02 . 2 . . . . . GLY HA2 . 6517 1 270 . 1 1 22 22 GLY HA3 H 1 4.37 0.02 . 2 . . . . . GLY HA3 . 6517 1 271 . 1 1 22 22 GLY C C 13 168.4 0.2 . 1 . . . . . GLY C . 6517 1 272 . 1 1 22 22 GLY CA C 13 47.6 0.2 . 1 . . . . . GLY CA . 6517 1 273 . 1 1 22 22 GLY N N 15 107.2 0.2 . 1 . . . . . GLY N . 6517 1 274 . 1 1 23 23 ASP H H 1 7.98 0.02 . 1 . . . . . ASP H . 6517 1 275 . 1 1 23 23 ASP HA H 1 4.71 0.02 . 1 . . . . . ASP HA . 6517 1 276 . 1 1 23 23 ASP HB2 H 1 1.80 0.02 . 2 . . . . . ASP HB2 . 6517 1 277 . 1 1 23 23 ASP HB3 H 1 2.35 0.02 . 2 . . . . . ASP HB3 . 6517 1 278 . 1 1 23 23 ASP C C 13 177.7 0.2 . 1 . . . . . ASP C . 6517 1 279 . 1 1 23 23 ASP CA C 13 54.3 0.2 . 1 . . . . . ASP CA . 6517 1 280 . 1 1 23 23 ASP CB C 13 39.6 0.2 . 1 . . . . . ASP CB . 6517 1 281 . 1 1 23 23 ASP N N 15 117.6 0.2 . 1 . . . . . ASP N . 6517 1 282 . 1 1 24 24 LEU H H 1 7.66 0.02 . 1 . . . . . LEU H . 6517 1 283 . 1 1 24 24 LEU HA H 1 4.48 0.02 . 1 . . . . . LEU HA . 6517 1 284 . 1 1 24 24 LEU HB2 H 1 1.40 0.02 . 2 . . . . . LEU HB2 . 6517 1 285 . 1 1 24 24 LEU HB3 H 1 2.12 0.02 . 2 . . . . . LEU HB3 . 6517 1 286 . 1 1 24 24 LEU HG H 1 1.94 0.02 . 1 . . . . . LEU HG . 6517 1 287 . 1 1 24 24 LEU HD11 H 1 1.00 0.02 . 1 . . . . . LEU HD1 . 6517 1 288 . 1 1 24 24 LEU HD12 H 1 1.00 0.02 . 1 . . . . . LEU HD1 . 6517 1 289 . 1 1 24 24 LEU HD13 H 1 1.00 0.02 . 1 . . . . . LEU HD1 . 6517 1 290 . 1 1 24 24 LEU HD21 H 1 0.71 0.02 . 1 . . . . . LEU HD2 . 6517 1 291 . 1 1 24 24 LEU HD22 H 1 0.71 0.02 . 1 . . . . . LEU HD2 . 6517 1 292 . 1 1 24 24 LEU HD23 H 1 0.71 0.02 . 1 . . . . . LEU HD2 . 6517 1 293 . 1 1 24 24 LEU C C 13 177.0 0.2 . 1 . . . . . LEU C . 6517 1 294 . 1 1 24 24 LEU CA C 13 55.7 0.2 . 1 . . . . . LEU CA . 6517 1 295 . 1 1 24 24 LEU CB C 13 42.2 0.2 . 1 . . . . . LEU CB . 6517 1 296 . 1 1 24 24 LEU CG C 13 27.6 0.2 . 1 . . . . . LEU CG . 6517 1 297 . 1 1 24 24 LEU CD1 C 13 28.3 0.2 . 1 . . . . . LEU CD1 . 6517 1 298 . 1 1 24 24 LEU CD2 C 13 23.3 0.2 . 1 . . . . . LEU CD2 . 6517 1 299 . 1 1 24 24 LEU N N 15 119.2 0.2 . 1 . . . . . LEU N . 6517 1 300 . 1 1 25 25 THR H H 1 9.09 0.02 . 1 . . . . . THR H . 6517 1 301 . 1 1 25 25 THR HA H 1 4.54 0.02 . 1 . . . . . THR HA . 6517 1 302 . 1 1 25 25 THR HB H 1 4.72 0.02 . 1 . . . . . THR HB . 6517 1 303 . 1 1 25 25 THR HG21 H 1 1.25 0.02 . 1 . . . . . THR HG2 . 6517 1 304 . 1 1 25 25 THR HG22 H 1 1.25 0.02 . 1 . . . . . THR HG2 . 6517 1 305 . 1 1 25 25 THR HG23 H 1 1.25 0.02 . 1 . . . . . THR HG2 . 6517 1 306 . 1 1 25 25 THR C C 13 175.7 0.2 . 1 . . . . . THR C . 6517 1 307 . 1 1 25 25 THR CA C 13 60.1 0.2 . 1 . . . . . THR CA . 6517 1 308 . 1 1 25 25 THR CB C 13 71.7 0.2 . 1 . . . . . THR CB . 6517 1 309 . 1 1 25 25 THR CG2 C 13 21.4 0.2 . 1 . . . . . THR CG2 . 6517 1 310 . 1 1 25 25 THR N N 15 114.0 0.2 . 1 . . . . . THR N . 6517 1 311 . 1 1 26 26 ASP H H 1 8.78 0.02 . 1 . . . . . ASP H . 6517 1 312 . 1 1 26 26 ASP HA H 1 4.45 0.02 . 1 . . . . . ASP HA . 6517 1 313 . 1 1 26 26 ASP HB2 H 1 2.84 0.02 . 2 . . . . . ASP HB2 . 6517 1 314 . 1 1 26 26 ASP HB3 H 1 2.92 0.02 . 2 . . . . . ASP HB3 . 6517 1 315 . 1 1 26 26 ASP C C 13 179.3 0.2 . 1 . . . . . ASP C . 6517 1 316 . 1 1 26 26 ASP CA C 13 57.8 0.2 . 1 . . . . . ASP CA . 6517 1 317 . 1 1 26 26 ASP CB C 13 39.8 0.2 . 1 . . . . . ASP CB . 6517 1 318 . 1 1 26 26 ASP N N 15 119.8 0.2 . 1 . . . . . ASP N . 6517 1 319 . 1 1 27 27 ASP H H 1 8.19 0.02 . 1 . . . . . ASP H . 6517 1 320 . 1 1 27 27 ASP HA H 1 4.42 0.02 . 1 . . . . . ASP HA . 6517 1 321 . 1 1 27 27 ASP HB2 H 1 2.60 0.02 . 2 . . . . . ASP HB2 . 6517 1 322 . 1 1 27 27 ASP HB3 H 1 2.64 0.02 . 2 . . . . . ASP HB3 . 6517 1 323 . 1 1 27 27 ASP C C 13 178.6 0.2 . 1 . . . . . ASP C . 6517 1 324 . 1 1 27 27 ASP CA C 13 57.5 0.2 . 1 . . . . . ASP CA . 6517 1 325 . 1 1 27 27 ASP CB C 13 40.6 0.2 . 1 . . . . . ASP CB . 6517 1 326 . 1 1 27 27 ASP N N 15 118.4 0.2 . 1 . . . . . ASP N . 6517 1 327 . 1 1 28 28 ASP H H 1 7.94 0.02 . 1 . . . . . ASP H . 6517 1 328 . 1 1 28 28 ASP HA H 1 4.38 0.02 . 1 . . . . . ASP HA . 6517 1 329 . 1 1 28 28 ASP HB2 H 1 2.40 0.02 . 2 . . . . . ASP HB2 . 6517 1 330 . 1 1 28 28 ASP HB3 H 1 3.40 0.02 . 2 . . . . . ASP HB3 . 6517 1 331 . 1 1 28 28 ASP C C 13 179.1 0.2 . 1 . . . . . ASP C . 6517 1 332 . 1 1 28 28 ASP CA C 13 57.1 0.2 . 1 . . . . . ASP CA . 6517 1 333 . 1 1 28 28 ASP CB C 13 41.2 0.2 . 1 . . . . . ASP CB . 6517 1 334 . 1 1 28 28 ASP N N 15 119.8 0.2 . 1 . . . . . ASP N . 6517 1 335 . 1 1 29 29 LEU H H 1 7.64 0.02 . 1 . . . . . LEU H . 6517 1 336 . 1 1 29 29 LEU HA H 1 4.80 0.02 . 1 . . . . . LEU HA . 6517 1 337 . 1 1 29 29 LEU HB2 H 1 1.69 0.02 . 2 . . . . . LEU HB2 . 6517 1 338 . 1 1 29 29 LEU HB3 H 1 1.98 0.02 . 2 . . . . . LEU HB3 . 6517 1 339 . 1 1 29 29 LEU HG H 1 1.97 0.02 . 1 . . . . . LEU HG . 6517 1 340 . 1 1 29 29 LEU HD11 H 1 0.95 0.02 . 1 . . . . . LEU HD1 . 6517 1 341 . 1 1 29 29 LEU HD12 H 1 0.95 0.02 . 1 . . . . . LEU HD1 . 6517 1 342 . 1 1 29 29 LEU HD13 H 1 0.95 0.02 . 1 . . . . . LEU HD1 . 6517 1 343 . 1 1 29 29 LEU HD21 H 1 0.96 0.02 . 1 . . . . . LEU HD2 . 6517 1 344 . 1 1 29 29 LEU HD22 H 1 0.96 0.02 . 1 . . . . . LEU HD2 . 6517 1 345 . 1 1 29 29 LEU HD23 H 1 0.96 0.02 . 1 . . . . . LEU HD2 . 6517 1 346 . 1 1 29 29 LEU C C 13 177.2 0.2 . 1 . . . . . LEU C . 6517 1 347 . 1 1 29 29 LEU CA C 13 55.8 0.2 . 1 . . . . . LEU CA . 6517 1 348 . 1 1 29 29 LEU CB C 13 42.1 0.2 . 1 . . . . . LEU CB . 6517 1 349 . 1 1 29 29 LEU CG C 13 27.0 0.2 . 1 . . . . . LEU CG . 6517 1 350 . 1 1 29 29 LEU CD1 C 13 26.5 0.2 . 1 . . . . . LEU CD1 . 6517 1 351 . 1 1 29 29 LEU CD2 C 13 23.1 0.2 . 1 . . . . . LEU CD2 . 6517 1 352 . 1 1 29 29 LEU N N 15 117.3 0.2 . 1 . . . . . LEU N . 6517 1 353 . 1 1 30 30 GLN H H 1 8.02 0.02 . 1 . . . . . GLN H . 6517 1 354 . 1 1 30 30 GLN HA H 1 4.44 0.02 . 1 . . . . . GLN HA . 6517 1 355 . 1 1 30 30 GLN HB2 H 1 2.17 0.02 . 2 . . . . . GLN HB2 . 6517 1 356 . 1 1 30 30 GLN HB3 H 1 2.31 0.02 . 2 . . . . . GLN HB3 . 6517 1 357 . 1 1 30 30 GLN HG2 H 1 2.56 0.02 . 2 . . . . . GLN HG2 . 6517 1 358 . 1 1 30 30 GLN HG3 H 1 2.59 0.02 . 2 . . . . . GLN HG3 . 6517 1 359 . 1 1 30 30 GLN HE21 H 1 6.84 0.02 . 2 . . . . . GLN HE21 . 6517 1 360 . 1 1 30 30 GLN HE22 H 1 7.53 0.02 . 2 . . . . . GLN HE22 . 6517 1 361 . 1 1 30 30 GLN C C 13 176.0 0.2 . 1 . . . . . GLN C . 6517 1 362 . 1 1 30 30 GLN CA C 13 56.4 0.2 . 1 . . . . . GLN CA . 6517 1 363 . 1 1 30 30 GLN CB C 13 28.4 0.2 . 1 . . . . . GLN CB . 6517 1 364 . 1 1 30 30 GLN CG C 13 33.9 0.2 . 1 . . . . . GLN CG . 6517 1 365 . 1 1 30 30 GLN CD C 13 180.5 0.2 . 1 . . . . . GLN CD . 6517 1 366 . 1 1 30 30 GLN N N 15 118.3 0.2 . 1 . . . . . GLN N . 6517 1 367 . 1 1 30 30 GLN NE2 N 15 111.9 0.2 . 1 . . . . . GLN NE2 . 6517 1 368 . 1 1 31 31 ALA H H 1 7.38 0.02 . 1 . . . . . ALA H . 6517 1 369 . 1 1 31 31 ALA HA H 1 4.25 0.02 . 1 . . . . . ALA HA . 6517 1 370 . 1 1 31 31 ALA HB1 H 1 1.17 0.02 . 1 . . . . . ALA HB . 6517 1 371 . 1 1 31 31 ALA HB2 H 1 1.17 0.02 . 1 . . . . . ALA HB . 6517 1 372 . 1 1 31 31 ALA HB3 H 1 1.17 0.02 . 1 . . . . . ALA HB . 6517 1 373 . 1 1 31 31 ALA CA C 13 52.4 0.2 . 1 . . . . . ALA CA . 6517 1 374 . 1 1 31 31 ALA CB C 13 18.9 0.2 . 1 . . . . . ALA CB . 6517 1 375 . 1 1 31 31 ALA N N 15 122.3 0.2 . 1 . . . . . ALA N . 6517 1 376 . 1 1 32 32 ALA HA H 1 4.18 0.02 . 1 . . . . . ALA HA . 6517 1 377 . 1 1 32 32 ALA HB1 H 1 1.29 0.02 . 1 . . . . . ALA HB . 6517 1 378 . 1 1 32 32 ALA HB2 H 1 1.29 0.02 . 1 . . . . . ALA HB . 6517 1 379 . 1 1 32 32 ALA HB3 H 1 1.29 0.02 . 1 . . . . . ALA HB . 6517 1 380 . 1 1 32 32 ALA C C 13 177.4 0.2 . 1 . . . . . ALA C . 6517 1 381 . 1 1 32 32 ALA CA C 13 53.2 0.2 . 1 . . . . . ALA CA . 6517 1 382 . 1 1 32 32 ALA CB C 13 19.7 0.2 . 1 . . . . . ALA CB . 6517 1 383 . 1 1 33 33 ASP H H 1 7.96 0.02 . 1 . . . . . ASP H . 6517 1 384 . 1 1 33 33 ASP HA H 1 4.49 0.02 . 1 . . . . . ASP HA . 6517 1 385 . 1 1 33 33 ASP HB2 H 1 2.43 0.02 . 2 . . . . . ASP HB2 . 6517 1 386 . 1 1 33 33 ASP HB3 H 1 2.54 0.02 . 2 . . . . . ASP HB3 . 6517 1 387 . 1 1 33 33 ASP C C 13 174.9 0.2 . 1 . . . . . ASP C . 6517 1 388 . 1 1 33 33 ASP CA C 13 53.1 0.2 . 1 . . . . . ASP CA . 6517 1 389 . 1 1 33 33 ASP CB C 13 40.8 0.2 . 1 . . . . . ASP CB . 6517 1 390 . 1 1 33 33 ASP N N 15 117.3 0.2 . 1 . . . . . ASP N . 6517 1 391 . 1 1 34 34 GLY H H 1 5.89 0.02 . 1 . . . . . GLY H . 6517 1 392 . 1 1 34 34 GLY HA2 H 1 1.10 0.02 . 2 . . . . . GLY HA2 . 6517 1 393 . 1 1 34 34 GLY HA3 H 1 2.50 0.02 . 2 . . . . . GLY HA3 . 6517 1 394 . 1 1 34 34 GLY C C 13 171.0 0.2 . 1 . . . . . GLY C . 6517 1 395 . 1 1 34 34 GLY CA C 13 44.3 0.2 . 1 . . . . . GLY CA . 6517 1 396 . 1 1 34 34 GLY N N 15 103.9 0.2 . 1 . . . . . GLY N . 6517 1 397 . 1 1 35 35 HIS H H 1 6.20 0.02 . 1 . . . . . HIS H . 6517 1 398 . 1 1 35 35 HIS HA H 1 4.45 0.02 . 1 . . . . . HIS HA . 6517 1 399 . 1 1 35 35 HIS HB2 H 1 3.42 0.02 . 2 . . . . . HIS HB2 . 6517 1 400 . 1 1 35 35 HIS HB3 H 1 3.53 0.02 . 2 . . . . . HIS HB3 . 6517 1 401 . 1 1 35 35 HIS HD2 H 1 7.03 0.02 . 1 . . . . . HIS HD2 . 6517 1 402 . 1 1 35 35 HIS HE1 H 1 7.83 0.02 . 1 . . . . . HIS HE1 . 6517 1 403 . 1 1 35 35 HIS C C 13 175.4 0.2 . 1 . . . . . HIS C . 6517 1 404 . 1 1 35 35 HIS CA C 13 54.7 0.2 . 1 . . . . . HIS CA . 6517 1 405 . 1 1 35 35 HIS CB C 13 31.3 0.2 . 1 . . . . . HIS CB . 6517 1 406 . 1 1 35 35 HIS CD2 C 13 121.4 0.2 . 1 . . . . . HIS CD2 . 6517 1 407 . 1 1 35 35 HIS CE1 C 13 139.9 0.2 . 1 . . . . . HIS CE1 . 6517 1 408 . 1 1 35 35 HIS N N 15 111.1 0.2 . 1 . . . . . HIS N . 6517 1 409 . 1 1 36 36 ALA H H 1 10.31 0.02 . 1 . . . . . ALA H . 6517 1 410 . 1 1 36 36 ALA HA H 1 4.08 0.02 . 1 . . . . . ALA HA . 6517 1 411 . 1 1 36 36 ALA HB1 H 1 1.68 0.02 . 1 . . . . . ALA HB . 6517 1 412 . 1 1 36 36 ALA HB2 H 1 1.68 0.02 . 1 . . . . . ALA HB . 6517 1 413 . 1 1 36 36 ALA HB3 H 1 1.68 0.02 . 1 . . . . . ALA HB . 6517 1 414 . 1 1 36 36 ALA C C 13 178.7 0.2 . 1 . . . . . ALA C . 6517 1 415 . 1 1 36 36 ALA CA C 13 57.6 0.2 . 1 . . . . . ALA CA . 6517 1 416 . 1 1 36 36 ALA CB C 13 18.3 0.2 . 1 . . . . . ALA CB . 6517 1 417 . 1 1 36 36 ALA N N 15 125.3 0.2 . 1 . . . . . ALA N . 6517 1 418 . 1 1 37 37 GLU H H 1 8.88 0.02 . 1 . . . . . GLU H . 6517 1 419 . 1 1 37 37 GLU HA H 1 4.01 0.02 . 1 . . . . . GLU HA . 6517 1 420 . 1 1 37 37 GLU HB2 H 1 2.20 0.02 . 2 . . . . . GLU HB2 . 6517 1 421 . 1 1 37 37 GLU HB3 H 1 2.26 0.02 . 2 . . . . . GLU HB3 . 6517 1 422 . 1 1 37 37 GLU HG2 H 1 2.43 0.02 . 2 . . . . . GLU HG2 . 6517 1 423 . 1 1 37 37 GLU HG3 H 1 2.46 0.02 . 2 . . . . . GLU HG3 . 6517 1 424 . 1 1 37 37 GLU C C 13 179.6 0.2 . 1 . . . . . GLU C . 6517 1 425 . 1 1 37 37 GLU CA C 13 60.4 0.2 . 1 . . . . . GLU CA . 6517 1 426 . 1 1 37 37 GLU CB C 13 29.3 0.2 . 1 . . . . . GLU CB . 6517 1 427 . 1 1 37 37 GLU CG C 13 37.1 0.2 . 1 . . . . . GLU CG . 6517 1 428 . 1 1 37 37 GLU N N 15 117.0 0.2 . 1 . . . . . GLU N . 6517 1 429 . 1 1 38 38 TYR H H 1 7.88 0.02 . 1 . . . . . TYR H . 6517 1 430 . 1 1 38 38 TYR HA H 1 4.19 0.02 . 1 . . . . . TYR HA . 6517 1 431 . 1 1 38 38 TYR HB2 H 1 2.58 0.02 . 2 . . . . . TYR HB2 . 6517 1 432 . 1 1 38 38 TYR HB3 H 1 2.29 0.02 . 2 . . . . . TYR HB3 . 6517 1 433 . 1 1 38 38 TYR HD1 H 1 6.84 0.02 . 3 . . . . . TYR HD1 . 6517 1 434 . 1 1 38 38 TYR HE1 H 1 6.87 0.02 . 3 . . . . . TYR HE1 . 6517 1 435 . 1 1 38 38 TYR C C 13 177.6 0.2 . 1 . . . . . TYR C . 6517 1 436 . 1 1 38 38 TYR CA C 13 60.1 0.2 . 1 . . . . . TYR CA . 6517 1 437 . 1 1 38 38 TYR CB C 13 37.8 0.2 . 1 . . . . . TYR CB . 6517 1 438 . 1 1 38 38 TYR CD1 C 13 133.0 0.2 . 3 . . . . . TYR CD1 . 6517 1 439 . 1 1 38 38 TYR CE1 C 13 117.9 0.2 . 3 . . . . . TYR CE1 . 6517 1 440 . 1 1 38 38 TYR N N 15 122.2 0.2 . 1 . . . . . TYR N . 6517 1 441 . 1 1 39 39 LEU H H 1 7.93 0.02 . 1 . . . . . LEU H . 6517 1 442 . 1 1 39 39 LEU HA H 1 3.80 0.02 . 1 . . . . . LEU HA . 6517 1 443 . 1 1 39 39 LEU HB2 H 1 1.74 0.02 . 2 . . . . . LEU HB2 . 6517 1 444 . 1 1 39 39 LEU HB3 H 1 2.05 0.02 . 2 . . . . . LEU HB3 . 6517 1 445 . 1 1 39 39 LEU HG H 1 1.50 0.02 . 1 . . . . . LEU HG . 6517 1 446 . 1 1 39 39 LEU HD11 H 1 0.94 0.02 . 1 . . . . . LEU HD1 . 6517 1 447 . 1 1 39 39 LEU HD12 H 1 0.94 0.02 . 1 . . . . . LEU HD1 . 6517 1 448 . 1 1 39 39 LEU HD13 H 1 0.94 0.02 . 1 . . . . . LEU HD1 . 6517 1 449 . 1 1 39 39 LEU HD21 H 1 1.05 0.02 . 1 . . . . . LEU HD2 . 6517 1 450 . 1 1 39 39 LEU HD22 H 1 1.05 0.02 . 1 . . . . . LEU HD2 . 6517 1 451 . 1 1 39 39 LEU HD23 H 1 1.05 0.02 . 1 . . . . . LEU HD2 . 6517 1 452 . 1 1 39 39 LEU C C 13 177.4 0.2 . 1 . . . . . LEU C . 6517 1 453 . 1 1 39 39 LEU CA C 13 57.8 0.2 . 1 . . . . . LEU CA . 6517 1 454 . 1 1 39 39 LEU CB C 13 42.6 0.2 . 1 . . . . . LEU CB . 6517 1 455 . 1 1 39 39 LEU CG C 13 27.0 0.2 . 1 . . . . . LEU CG . 6517 1 456 . 1 1 39 39 LEU CD1 C 13 23.4 0.2 . 1 . . . . . LEU CD1 . 6517 1 457 . 1 1 39 39 LEU CD2 C 13 25.8 0.2 . 1 . . . . . LEU CD2 . 6517 1 458 . 1 1 39 39 LEU N N 15 121.1 0.2 . 1 . . . . . LEU N . 6517 1 459 . 1 1 40 40 VAL H H 1 8.63 0.02 . 1 . . . . . VAL H . 6517 1 460 . 1 1 40 40 VAL HA H 1 3.33 0.02 . 1 . . . . . VAL HA . 6517 1 461 . 1 1 40 40 VAL HB H 1 2.30 0.02 . 1 . . . . . VAL HB . 6517 1 462 . 1 1 40 40 VAL HG11 H 1 1.05 0.02 . 1 . . . . . VAL HG1 . 6517 1 463 . 1 1 40 40 VAL HG12 H 1 1.05 0.02 . 1 . . . . . VAL HG1 . 6517 1 464 . 1 1 40 40 VAL HG13 H 1 1.05 0.02 . 1 . . . . . VAL HG1 . 6517 1 465 . 1 1 40 40 VAL HG21 H 1 1.10 0.02 . 1 . . . . . VAL HG2 . 6517 1 466 . 1 1 40 40 VAL HG22 H 1 1.10 0.02 . 1 . . . . . VAL HG2 . 6517 1 467 . 1 1 40 40 VAL HG23 H 1 1.10 0.02 . 1 . . . . . VAL HG2 . 6517 1 468 . 1 1 40 40 VAL C C 13 178.5 0.2 . 1 . . . . . VAL C . 6517 1 469 . 1 1 40 40 VAL CA C 13 67.4 0.2 . 1 . . . . . VAL CA . 6517 1 470 . 1 1 40 40 VAL CB C 13 32.3 0.2 . 1 . . . . . VAL CB . 6517 1 471 . 1 1 40 40 VAL CG1 C 13 21.5 0.2 . 1 . . . . . VAL CG1 . 6517 1 472 . 1 1 40 40 VAL CG2 C 13 24.5 0.2 . 1 . . . . . VAL CG2 . 6517 1 473 . 1 1 40 40 VAL N N 15 119.5 0.2 . 1 . . . . . VAL N . 6517 1 474 . 1 1 41 41 GLY H H 1 7.76 0.02 . 1 . . . . . GLY H . 6517 1 475 . 1 1 41 41 GLY HA2 H 1 3.91 0.02 . 2 . . . . . GLY HA2 . 6517 1 476 . 1 1 41 41 GLY HA3 H 1 3.97 0.02 . 2 . . . . . GLY HA3 . 6517 1 477 . 1 1 41 41 GLY C C 13 177.3 0.2 . 1 . . . . . GLY C . 6517 1 478 . 1 1 41 41 GLY CA C 13 47.2 0.2 . 1 . . . . . GLY CA . 6517 1 479 . 1 1 41 41 GLY N N 15 104.5 0.2 . 1 . . . . . GLY N . 6517 1 480 . 1 1 42 42 LYS H H 1 7.89 0.02 . 1 . . . . . LYS H . 6517 1 481 . 1 1 42 42 LYS HA H 1 4.10 0.02 . 1 . . . . . LYS HA . 6517 1 482 . 1 1 42 42 LYS HB2 H 1 1.41 0.02 . 2 . . . . . LYS HB2 . 6517 1 483 . 1 1 42 42 LYS HB3 H 1 1.71 0.02 . 2 . . . . . LYS HB3 . 6517 1 484 . 1 1 42 42 LYS HG2 H 1 0.87 0.02 . 2 . . . . . LYS HG2 . 6517 1 485 . 1 1 42 42 LYS HG3 H 1 0.98 0.02 . 2 . . . . . LYS HG3 . 6517 1 486 . 1 1 42 42 LYS HD2 H 1 1.40 0.02 . 2 . . . . . LYS HD2 . 6517 1 487 . 1 1 42 42 LYS HD3 H 1 1.67 0.02 . 2 . . . . . LYS HD3 . 6517 1 488 . 1 1 42 42 LYS HE2 H 1 2.81 0.02 . 2 . . . . . LYS HE2 . 6517 1 489 . 1 1 42 42 LYS HE3 H 1 3.03 0.02 . 2 . . . . . LYS HE3 . 6517 1 490 . 1 1 42 42 LYS C C 13 178.7 0.2 . 1 . . . . . LYS C . 6517 1 491 . 1 1 42 42 LYS CA C 13 56.6 0.2 . 1 . . . . . LYS CA . 6517 1 492 . 1 1 42 42 LYS CB C 13 31.3 0.2 . 1 . . . . . LYS CB . 6517 1 493 . 1 1 42 42 LYS CG C 13 24.0 0.2 . 1 . . . . . LYS CG . 6517 1 494 . 1 1 42 42 LYS CD C 13 27.3 0.2 . 1 . . . . . LYS CD . 6517 1 495 . 1 1 42 42 LYS CE C 13 42.1 0.2 . 1 . . . . . LYS CE . 6517 1 496 . 1 1 42 42 LYS N N 15 121.9 0.2 . 1 . . . . . LYS N . 6517 1 497 . 1 1 43 43 LEU H H 1 8.51 0.02 . 1 . . . . . LEU H . 6517 1 498 . 1 1 43 43 LEU HA H 1 3.91 0.02 . 1 . . . . . LEU HA . 6517 1 499 . 1 1 43 43 LEU HB2 H 1 1.30 0.02 . 2 . . . . . LEU HB2 . 6517 1 500 . 1 1 43 43 LEU HB3 H 1 1.95 0.02 . 2 . . . . . LEU HB3 . 6517 1 501 . 1 1 43 43 LEU HG H 1 1.35 0.02 . 1 . . . . . LEU HG . 6517 1 502 . 1 1 43 43 LEU HD11 H 1 -0.05 0.02 . 1 . . . . . LEU HD1 . 6517 1 503 . 1 1 43 43 LEU HD12 H 1 -0.05 0.02 . 1 . . . . . LEU HD1 . 6517 1 504 . 1 1 43 43 LEU HD13 H 1 -0.05 0.02 . 1 . . . . . LEU HD1 . 6517 1 505 . 1 1 43 43 LEU HD21 H 1 -0.09 0.02 . 1 . . . . . LEU HD2 . 6517 1 506 . 1 1 43 43 LEU HD22 H 1 -0.09 0.02 . 1 . . . . . LEU HD2 . 6517 1 507 . 1 1 43 43 LEU HD23 H 1 -0.09 0.02 . 1 . . . . . LEU HD2 . 6517 1 508 . 1 1 43 43 LEU C C 13 175.0 0.2 . 1 . . . . . LEU C . 6517 1 509 . 1 1 43 43 LEU CA C 13 58.1 0.2 . 1 . . . . . LEU CA . 6517 1 510 . 1 1 43 43 LEU CB C 13 41.2 0.2 . 1 . . . . . LEU CB . 6517 1 511 . 1 1 43 43 LEU CG C 13 26.1 0.2 . 1 . . . . . LEU CG . 6517 1 512 . 1 1 43 43 LEU CD1 C 13 25.6 0.2 . 1 . . . . . LEU CD1 . 6517 1 513 . 1 1 43 43 LEU CD2 C 13 21.7 0.2 . 1 . . . . . LEU CD2 . 6517 1 514 . 1 1 43 43 LEU N N 15 120.8 0.2 . 1 . . . . . LEU N . 6517 1 515 . 1 1 44 44 GLN H H 1 7.98 0.02 . 1 . . . . . GLN H . 6517 1 516 . 1 1 44 44 GLN HA H 1 4.10 0.02 . 1 . . . . . GLN HA . 6517 1 517 . 1 1 44 44 GLN HB2 H 1 2.21 0.02 . 2 . . . . . GLN HB2 . 6517 1 518 . 1 1 44 44 GLN HB3 H 1 2.38 0.02 . 2 . . . . . GLN HB3 . 6517 1 519 . 1 1 44 44 GLN HG2 H 1 2.35 0.02 . 2 . . . . . GLN HG2 . 6517 1 520 . 1 1 44 44 GLN HG3 H 1 2.47 0.02 . 2 . . . . . GLN HG3 . 6517 1 521 . 1 1 44 44 GLN HE21 H 1 6.95 0.02 . 2 . . . . . GLN HE21 . 6517 1 522 . 1 1 44 44 GLN HE22 H 1 7.02 0.02 . 2 . . . . . GLN HE22 . 6517 1 523 . 1 1 44 44 GLN C C 13 179.2 0.2 . 1 . . . . . GLN C . 6517 1 524 . 1 1 44 44 GLN CA C 13 60.7 0.2 . 1 . . . . . GLN CA . 6517 1 525 . 1 1 44 44 GLN CB C 13 31.3 0.2 . 1 . . . . . GLN CB . 6517 1 526 . 1 1 44 44 GLN CG C 13 35.6 0.2 . 1 . . . . . GLN CG . 6517 1 527 . 1 1 44 44 GLN CD C 13 179.9 0.2 . 1 . . . . . GLN CD . 6517 1 528 . 1 1 44 44 GLN N N 15 117.6 0.2 . 1 . . . . . GLN N . 6517 1 529 . 1 1 44 44 GLN NE2 N 15 109.4 0.2 . 1 . . . . . GLN NE2 . 6517 1 530 . 1 1 45 45 GLU H H 1 7.81 0.02 . 1 . . . . . GLU H . 6517 1 531 . 1 1 45 45 GLU HA H 1 3.96 0.02 . 1 . . . . . GLU HA . 6517 1 532 . 1 1 45 45 GLU HB2 H 1 2.07 0.02 . 2 . . . . . GLU HB2 . 6517 1 533 . 1 1 45 45 GLU HB3 H 1 2.13 0.02 . 2 . . . . . GLU HB3 . 6517 1 534 . 1 1 45 45 GLU HG2 H 1 2.06 0.02 . 2 . . . . . GLU HG2 . 6517 1 535 . 1 1 45 45 GLU HG3 H 1 2.35 0.02 . 2 . . . . . GLU HG3 . 6517 1 536 . 1 1 45 45 GLU C C 13 178.8 0.2 . 1 . . . . . GLU C . 6517 1 537 . 1 1 45 45 GLU CA C 13 59.3 0.2 . 1 . . . . . GLU CA . 6517 1 538 . 1 1 45 45 GLU CB C 13 30.8 0.2 . 1 . . . . . GLU CB . 6517 1 539 . 1 1 45 45 GLU CG C 13 35.8 0.2 . 1 . . . . . GLU CG . 6517 1 540 . 1 1 45 45 GLU N N 15 119.1 0.2 . 1 . . . . . GLU N . 6517 1 541 . 1 1 46 46 ARG H H 1 8.63 0.02 . 1 . . . . . ARG H . 6517 1 542 . 1 1 46 46 ARG HA H 1 4.06 0.02 . 1 . . . . . ARG HA . 6517 1 543 . 1 1 46 46 ARG HB2 H 1 1.30 0.02 . 2 . . . . . ARG HB2 . 6517 1 544 . 1 1 46 46 ARG HB3 H 1 1.65 0.02 . 2 . . . . . ARG HB3 . 6517 1 545 . 1 1 46 46 ARG HG2 H 1 1.55 0.02 . 2 . . . . . ARG HG2 . 6517 1 546 . 1 1 46 46 ARG HG3 H 1 1.66 0.02 . 2 . . . . . ARG HG3 . 6517 1 547 . 1 1 46 46 ARG HD2 H 1 3.07 0.02 . 2 . . . . . ARG HD2 . 6517 1 548 . 1 1 46 46 ARG HD3 H 1 3.09 0.02 . 2 . . . . . ARG HD3 . 6517 1 549 . 1 1 46 46 ARG C C 13 177.7 0.2 . 1 . . . . . ARG C . 6517 1 550 . 1 1 46 46 ARG CA C 13 56.0 0.2 . 1 . . . . . ARG CA . 6517 1 551 . 1 1 46 46 ARG CB C 13 29.7 0.2 . 1 . . . . . ARG CB . 6517 1 552 . 1 1 46 46 ARG CG C 13 26.6 0.2 . 1 . . . . . ARG CG . 6517 1 553 . 1 1 46 46 ARG CD C 13 41.7 0.2 . 1 . . . . . ARG CD . 6517 1 554 . 1 1 46 46 ARG N N 15 114.7 0.2 . 1 . . . . . ARG N . 6517 1 555 . 1 1 47 47 TYR H H 1 7.94 0.02 . 1 . . . . . TYR H . 6517 1 556 . 1 1 47 47 TYR HA H 1 4.08 0.02 . 1 . . . . . TYR HA . 6517 1 557 . 1 1 47 47 TYR HB2 H 1 1.16 0.02 . 2 . . . . . TYR HB2 . 6517 1 558 . 1 1 47 47 TYR HB3 H 1 1.47 0.02 . 2 . . . . . TYR HB3 . 6517 1 559 . 1 1 47 47 TYR HD1 H 1 6.63 0.02 . 3 . . . . . TYR HD1 . 6517 1 560 . 1 1 47 47 TYR HE1 H 1 6.56 0.02 . 3 . . . . . TYR HE1 . 6517 1 561 . 1 1 47 47 TYR C C 13 176.8 0.2 . 1 . . . . . TYR C . 6517 1 562 . 1 1 47 47 TYR CA C 13 58.8 0.2 . 1 . . . . . TYR CA . 6517 1 563 . 1 1 47 47 TYR CB C 13 36.9 0.2 . 1 . . . . . TYR CB . 6517 1 564 . 1 1 47 47 TYR CD1 C 13 132.7 0.2 . 3 . . . . . TYR CD1 . 6517 1 565 . 1 1 47 47 TYR CE1 C 13 117.3 0.2 . 3 . . . . . TYR CE1 . 6517 1 566 . 1 1 47 47 TYR N N 15 113.7 0.2 . 1 . . . . . TYR N . 6517 1 567 . 1 1 48 48 GLY H H 1 7.57 0.02 . 1 . . . . . GLY H . 6517 1 568 . 1 1 48 48 GLY HA2 H 1 3.96 0.02 . 2 . . . . . GLY HA2 . 6517 1 569 . 1 1 48 48 GLY HA3 H 1 4.07 0.02 . 2 . . . . . GLY HA3 . 6517 1 570 . 1 1 48 48 GLY C C 13 174.5 0.2 . 1 . . . . . GLY C . 6517 1 571 . 1 1 48 48 GLY CA C 13 46.0 0.2 . 1 . . . . . GLY CA . 6517 1 572 . 1 1 48 48 GLY N N 15 109.1 0.2 . 1 . . . . . GLY N . 6517 1 573 . 1 1 49 49 TRP H H 1 6.41 0.02 . 1 . . . . . TRP H . 6517 1 574 . 1 1 49 49 TRP HA H 1 5.14 0.02 . 1 . . . . . TRP HA . 6517 1 575 . 1 1 49 49 TRP HB2 H 1 2.76 0.02 . 2 . . . . . TRP HB2 . 6517 1 576 . 1 1 49 49 TRP HB3 H 1 3.36 0.02 . 2 . . . . . TRP HB3 . 6517 1 577 . 1 1 49 49 TRP HD1 H 1 7.13 0.02 . 1 . . . . . TRP HD1 . 6517 1 578 . 1 1 49 49 TRP HE1 H 1 10.33 0.02 . 1 . . . . . TRP HE1 . 6517 1 579 . 1 1 49 49 TRP HE3 H 1 6.79 0.02 . 1 . . . . . TRP HE3 . 6517 1 580 . 1 1 49 49 TRP HZ2 H 1 7.21 0.02 . 1 . . . . . TRP HZ2 . 6517 1 581 . 1 1 49 49 TRP HZ3 H 1 6.51 0.02 . 1 . . . . . TRP HZ3 . 6517 1 582 . 1 1 49 49 TRP HH2 H 1 6.79 0.02 . 1 . . . . . TRP HH2 . 6517 1 583 . 1 1 49 49 TRP C C 13 176.4 0.2 . 1 . . . . . TRP C . 6517 1 584 . 1 1 49 49 TRP CA C 13 53.8 0.2 . 1 . . . . . TRP CA . 6517 1 585 . 1 1 49 49 TRP CB C 13 31.8 0.2 . 1 . . . . . TRP CB . 6517 1 586 . 1 1 49 49 TRP CD1 C 13 124.2 0.2 . 1 . . . . . TRP CD1 . 6517 1 587 . 1 1 49 49 TRP CE3 C 13 117.4 0.2 . 1 . . . . . TRP CE3 . 6517 1 588 . 1 1 49 49 TRP CZ2 C 13 115.7 0.2 . 1 . . . . . TRP CZ2 . 6517 1 589 . 1 1 49 49 TRP CZ3 C 13 121.8 0.2 . 1 . . . . . TRP CZ3 . 6517 1 590 . 1 1 49 49 TRP CH2 C 13 124.1 0.2 . 1 . . . . . TRP CH2 . 6517 1 591 . 1 1 49 49 TRP N N 15 118.9 0.2 . 1 . . . . . TRP N . 6517 1 592 . 1 1 49 49 TRP NE1 N 15 129.4 0.2 . 1 . . . . . TRP NE1 . 6517 1 593 . 1 1 50 50 SER H H 1 8.84 0.02 . 1 . . . . . SER H . 6517 1 594 . 1 1 50 50 SER HA H 1 4.52 0.02 . 1 . . . . . SER HA . 6517 1 595 . 1 1 50 50 SER HB2 H 1 4.24 0.02 . 2 . . . . . SER HB2 . 6517 1 596 . 1 1 50 50 SER HB3 H 1 4.48 0.02 . 2 . . . . . SER HB3 . 6517 1 597 . 1 1 50 50 SER C C 13 174.3 0.2 . 1 . . . . . SER C . 6517 1 598 . 1 1 50 50 SER CA C 13 57.3 0.2 . 1 . . . . . SER CA . 6517 1 599 . 1 1 50 50 SER CB C 13 64.7 0.2 . 1 . . . . . SER CB . 6517 1 600 . 1 1 50 50 SER N N 15 116.9 0.2 . 1 . . . . . SER N . 6517 1 601 . 1 1 51 51 LYS H H 1 8.94 0.02 . 1 . . . . . LYS H . 6517 1 602 . 1 1 51 51 LYS HA H 1 3.67 0.02 . 1 . . . . . LYS HA . 6517 1 603 . 1 1 51 51 LYS HB2 H 1 1.82 0.02 . 2 . . . . . LYS HB2 . 6517 1 604 . 1 1 51 51 LYS HB3 H 1 1.90 0.02 . 2 . . . . . LYS HB3 . 6517 1 605 . 1 1 51 51 LYS HG2 H 1 1.31 0.02 . 2 . . . . . LYS HG2 . 6517 1 606 . 1 1 51 51 LYS HG3 H 1 1.41 0.02 . 2 . . . . . LYS HG3 . 6517 1 607 . 1 1 51 51 LYS HD2 H 1 1.68 0.02 . 2 . . . . . LYS HD2 . 6517 1 608 . 1 1 51 51 LYS HD3 H 1 1.71 0.02 . 2 . . . . . LYS HD3 . 6517 1 609 . 1 1 51 51 LYS HE2 H 1 3.05 0.02 . 2 . . . . . LYS HE2 . 6517 1 610 . 1 1 51 51 LYS HE3 H 1 3.07 0.02 . 2 . . . . . LYS HE3 . 6517 1 611 . 1 1 51 51 LYS C C 13 177.7 0.2 . 1 . . . . . LYS C . 6517 1 612 . 1 1 51 51 LYS CA C 13 60.6 0.2 . 1 . . . . . LYS CA . 6517 1 613 . 1 1 51 51 LYS CB C 13 32.5 0.2 . 1 . . . . . LYS CB . 6517 1 614 . 1 1 51 51 LYS CG C 13 24.9 0.2 . 1 . . . . . LYS CG . 6517 1 615 . 1 1 51 51 LYS CD C 13 29.6 0.2 . 1 . . . . . LYS CD . 6517 1 616 . 1 1 51 51 LYS CE C 13 42.2 0.2 . 1 . . . . . LYS CE . 6517 1 617 . 1 1 51 51 LYS N N 15 123.8 0.2 . 1 . . . . . LYS N . 6517 1 618 . 1 1 52 52 GLU H H 1 8.66 0.02 . 1 . . . . . GLU H . 6517 1 619 . 1 1 52 52 GLU HA H 1 4.09 0.02 . 1 . . . . . GLU HA . 6517 1 620 . 1 1 52 52 GLU HB2 H 1 1.95 0.02 . 2 . . . . . GLU HB2 . 6517 1 621 . 1 1 52 52 GLU HB3 H 1 2.10 0.02 . 2 . . . . . GLU HB3 . 6517 1 622 . 1 1 52 52 GLU HG2 H 1 2.32 0.02 . 2 . . . . . GLU HG2 . 6517 1 623 . 1 1 52 52 GLU HG3 H 1 2.40 0.02 . 2 . . . . . GLU HG3 . 6517 1 624 . 1 1 52 52 GLU C C 13 179.2 0.2 . 1 . . . . . GLU C . 6517 1 625 . 1 1 52 52 GLU CA C 13 60.2 0.2 . 1 . . . . . GLU CA . 6517 1 626 . 1 1 52 52 GLU CB C 13 29.1 0.2 . 1 . . . . . GLU CB . 6517 1 627 . 1 1 52 52 GLU CG C 13 37.0 0.2 . 1 . . . . . GLU CG . 6517 1 628 . 1 1 52 52 GLU N N 15 116.3 0.2 . 1 . . . . . GLU N . 6517 1 629 . 1 1 53 53 ARG H H 1 7.88 0.02 . 1 . . . . . ARG H . 6517 1 630 . 1 1 53 53 ARG HA H 1 4.07 0.02 . 1 . . . . . ARG HA . 6517 1 631 . 1 1 53 53 ARG HB2 H 1 1.78 0.02 . 2 . . . . . ARG HB2 . 6517 1 632 . 1 1 53 53 ARG HB3 H 1 1.84 0.02 . 2 . . . . . ARG HB3 . 6517 1 633 . 1 1 53 53 ARG HG2 H 1 0.85 0.02 . 2 . . . . . ARG HG2 . 6517 1 634 . 1 1 53 53 ARG HG3 H 1 0.89 0.02 . 2 . . . . . ARG HG3 . 6517 1 635 . 1 1 53 53 ARG HD2 H 1 2.43 0.02 . 2 . . . . . ARG HD2 . 6517 1 636 . 1 1 53 53 ARG HD3 H 1 2.82 0.02 . 2 . . . . . ARG HD3 . 6517 1 637 . 1 1 53 53 ARG C C 13 177.8 0.2 . 1 . . . . . ARG C . 6517 1 638 . 1 1 53 53 ARG CA C 13 58.4 0.2 . 1 . . . . . ARG CA . 6517 1 639 . 1 1 53 53 ARG CB C 13 29.5 0.2 . 1 . . . . . ARG CB . 6517 1 640 . 1 1 53 53 ARG CG C 13 26.5 0.2 . 1 . . . . . ARG CG . 6517 1 641 . 1 1 53 53 ARG CD C 13 42.4 0.2 . 1 . . . . . ARG CD . 6517 1 642 . 1 1 53 53 ARG N N 15 121.4 0.2 . 1 . . . . . ARG N . 6517 1 643 . 1 1 54 54 ALA H H 1 8.50 0.02 . 1 . . . . . ALA H . 6517 1 644 . 1 1 54 54 ALA HA H 1 4.08 0.02 . 1 . . . . . ALA HA . 6517 1 645 . 1 1 54 54 ALA HB1 H 1 1.71 0.02 . 1 . . . . . ALA HB . 6517 1 646 . 1 1 54 54 ALA HB2 H 1 1.71 0.02 . 1 . . . . . ALA HB . 6517 1 647 . 1 1 54 54 ALA HB3 H 1 1.71 0.02 . 1 . . . . . ALA HB . 6517 1 648 . 1 1 54 54 ALA C C 13 179.0 0.2 . 1 . . . . . ALA C . 6517 1 649 . 1 1 54 54 ALA CA C 13 55.9 0.2 . 1 . . . . . ALA CA . 6517 1 650 . 1 1 54 54 ALA CB C 13 20.6 0.2 . 1 . . . . . ALA CB . 6517 1 651 . 1 1 54 54 ALA N N 15 121.1 0.2 . 1 . . . . . ALA N . 6517 1 652 . 1 1 55 55 GLU H H 1 9.06 0.02 . 1 . . . . . GLU H . 6517 1 653 . 1 1 55 55 GLU HA H 1 3.93 0.02 . 1 . . . . . GLU HA . 6517 1 654 . 1 1 55 55 GLU HB2 H 1 1.98 0.02 . 2 . . . . . GLU HB2 . 6517 1 655 . 1 1 55 55 GLU HB3 H 1 2.27 0.02 . 2 . . . . . GLU HB3 . 6517 1 656 . 1 1 55 55 GLU HG2 H 1 2.26 0.02 . 2 . . . . . GLU HG2 . 6517 1 657 . 1 1 55 55 GLU HG3 H 1 2.66 0.02 . 2 . . . . . GLU HG3 . 6517 1 658 . 1 1 55 55 GLU C C 13 179.5 0.2 . 1 . . . . . GLU C . 6517 1 659 . 1 1 55 55 GLU CA C 13 60.0 0.2 . 1 . . . . . GLU CA . 6517 1 660 . 1 1 55 55 GLU CB C 13 29.7 0.2 . 1 . . . . . GLU CB . 6517 1 661 . 1 1 55 55 GLU CG C 13 38.2 0.2 . 1 . . . . . GLU CG . 6517 1 662 . 1 1 55 55 GLU N N 15 116.5 0.2 . 1 . . . . . GLU N . 6517 1 663 . 1 1 56 56 GLN H H 1 7.98 0.02 . 1 . . . . . GLN H . 6517 1 664 . 1 1 56 56 GLN HA H 1 4.00 0.02 . 1 . . . . . GLN HA . 6517 1 665 . 1 1 56 56 GLN HB2 H 1 2.28 0.02 . 2 . . . . . GLN HB2 . 6517 1 666 . 1 1 56 56 GLN HB3 H 1 2.31 0.02 . 2 . . . . . GLN HB3 . 6517 1 667 . 1 1 56 56 GLN HG2 H 1 2.43 0.02 . 2 . . . . . GLN HG2 . 6517 1 668 . 1 1 56 56 GLN HG3 H 1 2.52 0.02 . 2 . . . . . GLN HG3 . 6517 1 669 . 1 1 56 56 GLN HE21 H 1 6.82 0.02 . 2 . . . . . GLN HE21 . 6517 1 670 . 1 1 56 56 GLN HE22 H 1 7.70 0.02 . 2 . . . . . GLN HE22 . 6517 1 671 . 1 1 56 56 GLN C C 13 178.6 0.2 . 1 . . . . . GLN C . 6517 1 672 . 1 1 56 56 GLN CA C 13 59.1 0.2 . 1 . . . . . GLN CA . 6517 1 673 . 1 1 56 56 GLN CB C 13 27.9 0.2 . 1 . . . . . GLN CB . 6517 1 674 . 1 1 56 56 GLN CG C 13 33.6 0.2 . 1 . . . . . GLN CG . 6517 1 675 . 1 1 56 56 GLN CD C 13 180.5 0.2 . 1 . . . . . GLN CD . 6517 1 676 . 1 1 56 56 GLN N N 15 120.8 0.2 . 1 . . . . . GLN N . 6517 1 677 . 1 1 56 56 GLN NE2 N 15 113.5 0.2 . 1 . . . . . GLN NE2 . 6517 1 678 . 1 1 57 57 GLU H H 1 8.49 0.02 . 1 . . . . . GLU H . 6517 1 679 . 1 1 57 57 GLU HA H 1 4.11 0.02 . 1 . . . . . GLU HA . 6517 1 680 . 1 1 57 57 GLU HB2 H 1 2.31 0.02 . 2 . . . . . GLU HB2 . 6517 1 681 . 1 1 57 57 GLU HB3 H 1 2.80 0.02 . 2 . . . . . GLU HB3 . 6517 1 682 . 1 1 57 57 GLU HG2 H 1 2.07 0.02 . 2 . . . . . GLU HG2 . 6517 1 683 . 1 1 57 57 GLU HG3 H 1 2.09 0.02 . 2 . . . . . GLU HG3 . 6517 1 684 . 1 1 57 57 GLU C C 13 179.5 0.2 . 1 . . . . . GLU C . 6517 1 685 . 1 1 57 57 GLU CA C 13 60.2 0.2 . 1 . . . . . GLU CA . 6517 1 686 . 1 1 57 57 GLU CB C 13 28.5 0.2 . 1 . . . . . GLU CB . 6517 1 687 . 1 1 57 57 GLU CG C 13 37.2 0.2 . 1 . . . . . GLU CG . 6517 1 688 . 1 1 57 57 GLU N N 15 120.4 0.2 . 1 . . . . . GLU N . 6517 1 689 . 1 1 58 58 VAL H H 1 8.25 0.02 . 1 . . . . . VAL H . 6517 1 690 . 1 1 58 58 VAL HA H 1 4.05 0.02 . 1 . . . . . VAL HA . 6517 1 691 . 1 1 58 58 VAL HB H 1 2.17 0.02 . 1 . . . . . VAL HB . 6517 1 692 . 1 1 58 58 VAL HG11 H 1 1.15 0.02 . 1 . . . . . VAL HG1 . 6517 1 693 . 1 1 58 58 VAL HG12 H 1 1.15 0.02 . 1 . . . . . VAL HG1 . 6517 1 694 . 1 1 58 58 VAL HG13 H 1 1.15 0.02 . 1 . . . . . VAL HG1 . 6517 1 695 . 1 1 58 58 VAL HG21 H 1 0.96 0.02 . 1 . . . . . VAL HG2 . 6517 1 696 . 1 1 58 58 VAL HG22 H 1 0.96 0.02 . 1 . . . . . VAL HG2 . 6517 1 697 . 1 1 58 58 VAL HG23 H 1 0.96 0.02 . 1 . . . . . VAL HG2 . 6517 1 698 . 1 1 58 58 VAL C C 13 178.7 0.2 . 1 . . . . . VAL C . 6517 1 699 . 1 1 58 58 VAL CA C 13 67.9 0.2 . 1 . . . . . VAL CA . 6517 1 700 . 1 1 58 58 VAL CB C 13 31.5 0.2 . 1 . . . . . VAL CB . 6517 1 701 . 1 1 58 58 VAL CG1 C 13 21.9 0.2 . 1 . . . . . VAL CG1 . 6517 1 702 . 1 1 58 58 VAL CG2 C 13 25.4 0.2 . 1 . . . . . VAL CG2 . 6517 1 703 . 1 1 58 58 VAL N N 15 120.3 0.2 . 1 . . . . . VAL N . 6517 1 704 . 1 1 59 59 ARG H H 1 8.68 0.02 . 1 . . . . . ARG H . 6517 1 705 . 1 1 59 59 ARG HA H 1 4.18 0.02 . 1 . . . . . ARG HA . 6517 1 706 . 1 1 59 59 ARG HB2 H 1 2.04 0.02 . 2 . . . . . ARG HB2 . 6517 1 707 . 1 1 59 59 ARG HB3 H 1 2.03 0.02 . 2 . . . . . ARG HB3 . 6517 1 708 . 1 1 59 59 ARG HG2 H 1 1.74 0.02 . 2 . . . . . ARG HG2 . 6517 1 709 . 1 1 59 59 ARG HG3 H 1 1.85 0.02 . 2 . . . . . ARG HG3 . 6517 1 710 . 1 1 59 59 ARG HD2 H 1 3.28 0.02 . 2 . . . . . ARG HD2 . 6517 1 711 . 1 1 59 59 ARG HD3 H 1 3.33 0.02 . 2 . . . . . ARG HD3 . 6517 1 712 . 1 1 59 59 ARG C C 13 178.2 0.2 . 1 . . . . . ARG C . 6517 1 713 . 1 1 59 59 ARG CA C 13 59.9 0.2 . 1 . . . . . ARG CA . 6517 1 714 . 1 1 59 59 ARG CB C 13 30.1 0.2 . 1 . . . . . ARG CB . 6517 1 715 . 1 1 59 59 ARG CG C 13 27.5 0.2 . 1 . . . . . ARG CG . 6517 1 716 . 1 1 59 59 ARG CD C 13 43.5 0.2 . 1 . . . . . ARG CD . 6517 1 717 . 1 1 59 59 ARG N N 15 124.3 0.2 . 1 . . . . . ARG N . 6517 1 718 . 1 1 60 60 ASP H H 1 8.57 0.02 . 1 . . . . . ASP H . 6517 1 719 . 1 1 60 60 ASP HA H 1 4.43 0.02 . 1 . . . . . ASP HA . 6517 1 720 . 1 1 60 60 ASP HB2 H 1 2.87 0.02 . 2 . . . . . ASP HB2 . 6517 1 721 . 1 1 60 60 ASP HB3 H 1 2.89 0.02 . 2 . . . . . ASP HB3 . 6517 1 722 . 1 1 60 60 ASP C C 13 178.3 0.2 . 1 . . . . . ASP C . 6517 1 723 . 1 1 60 60 ASP CA C 13 57.8 0.2 . 1 . . . . . ASP CA . 6517 1 724 . 1 1 60 60 ASP CB C 13 41.7 0.2 . 1 . . . . . ASP CB . 6517 1 725 . 1 1 60 60 ASP N N 15 119.5 0.2 . 1 . . . . . ASP N . 6517 1 726 . 1 1 61 61 PHE H H 1 8.19 0.02 . 1 . . . . . PHE H . 6517 1 727 . 1 1 61 61 PHE HA H 1 4.22 0.02 . 1 . . . . . PHE HA . 6517 1 728 . 1 1 61 61 PHE HB2 H 1 3.40 0.02 . 2 . . . . . PHE HB2 . 6517 1 729 . 1 1 61 61 PHE HB3 H 1 3.59 0.02 . 2 . . . . . PHE HB3 . 6517 1 730 . 1 1 61 61 PHE HD1 H 1 7.16 0.02 . 3 . . . . . PHE HD1 . 6517 1 731 . 1 1 61 61 PHE HE1 H 1 7.10 0.02 . 3 . . . . . PHE HE1 . 6517 1 732 . 1 1 61 61 PHE HZ H 1 7.02 0.02 . 1 . . . . . PHE HZ . 6517 1 733 . 1 1 61 61 PHE C C 13 177.6 0.2 . 1 . . . . . PHE C . 6517 1 734 . 1 1 61 61 PHE CA C 13 60.6 0.2 . 1 . . . . . PHE CA . 6517 1 735 . 1 1 61 61 PHE CB C 13 41.4 0.2 . 1 . . . . . PHE CB . 6517 1 736 . 1 1 61 61 PHE CD1 C 13 132.5 0.2 . 3 . . . . . PHE CD1 . 6517 1 737 . 1 1 61 61 PHE CE1 C 13 130.8 0.2 . 3 . . . . . PHE CE1 . 6517 1 738 . 1 1 61 61 PHE CZ C 13 129.3 0.2 . 1 . . . . . PHE CZ . 6517 1 739 . 1 1 61 61 PHE N N 15 118.6 0.2 . 1 . . . . . PHE N . 6517 1 740 . 1 1 62 62 SER H H 1 8.77 0.02 . 1 . . . . . SER H . 6517 1 741 . 1 1 62 62 SER HA H 1 3.97 0.02 . 1 . . . . . SER HA . 6517 1 742 . 1 1 62 62 SER HB2 H 1 4.03 0.02 . 2 . . . . . SER HB2 . 6517 1 743 . 1 1 62 62 SER HB3 H 1 4.24 0.02 . 2 . . . . . SER HB3 . 6517 1 744 . 1 1 62 62 SER C C 13 176.1 0.2 . 1 . . . . . SER C . 6517 1 745 . 1 1 62 62 SER CA C 13 61.6 0.2 . 1 . . . . . SER CA . 6517 1 746 . 1 1 62 62 SER CB C 13 63.3 0.2 . 1 . . . . . SER CB . 6517 1 747 . 1 1 62 62 SER N N 15 114.5 0.2 . 1 . . . . . SER N . 6517 1 748 . 1 1 63 63 ASP H H 1 8.33 0.02 . 1 . . . . . ASP H . 6517 1 749 . 1 1 63 63 ASP HA H 1 4.57 0.02 . 1 . . . . . ASP HA . 6517 1 750 . 1 1 63 63 ASP HB2 H 1 2.75 0.02 . 2 . . . . . ASP HB2 . 6517 1 751 . 1 1 63 63 ASP HB3 H 1 2.94 0.02 . 2 . . . . . ASP HB3 . 6517 1 752 . 1 1 63 63 ASP C C 13 177.3 0.2 . 1 . . . . . ASP C . 6517 1 753 . 1 1 63 63 ASP CA C 13 56.4 0.2 . 1 . . . . . ASP CA . 6517 1 754 . 1 1 63 63 ASP CB C 13 41.2 0.2 . 1 . . . . . ASP CB . 6517 1 755 . 1 1 63 63 ASP N N 15 121.3 0.2 . 1 . . . . . ASP N . 6517 1 756 . 1 1 64 64 ARG H H 1 7.31 0.02 . 1 . . . . . ARG H . 6517 1 757 . 1 1 64 64 ARG HA H 1 4.39 0.02 . 1 . . . . . ARG HA . 6517 1 758 . 1 1 64 64 ARG HB2 H 1 1.67 0.02 . 2 . . . . . ARG HB2 . 6517 1 759 . 1 1 64 64 ARG HB3 H 1 2.04 0.02 . 2 . . . . . ARG HB3 . 6517 1 760 . 1 1 64 64 ARG HG2 H 1 1.67 0.02 . 2 . . . . . ARG HG2 . 6517 1 761 . 1 1 64 64 ARG HG3 H 1 1.79 0.02 . 2 . . . . . ARG HG3 . 6517 1 762 . 1 1 64 64 ARG HD2 H 1 3.15 0.02 . 2 . . . . . ARG HD2 . 6517 1 763 . 1 1 64 64 ARG HD3 H 1 3.20 0.02 . 2 . . . . . ARG HD3 . 6517 1 764 . 1 1 64 64 ARG C C 13 176.0 0.2 . 1 . . . . . ARG C . 6517 1 765 . 1 1 64 64 ARG CA C 13 55.7 0.2 . 1 . . . . . ARG CA . 6517 1 766 . 1 1 64 64 ARG CB C 13 30.6 0.2 . 1 . . . . . ARG CB . 6517 1 767 . 1 1 64 64 ARG CG C 13 27.6 0.2 . 1 . . . . . ARG CG . 6517 1 768 . 1 1 64 64 ARG CD C 13 43.6 0.2 . 1 . . . . . ARG CD . 6517 1 769 . 1 1 64 64 ARG N N 15 117.0 0.2 . 1 . . . . . ARG N . 6517 1 770 . 1 1 65 65 LEU H H 1 7.06 0.02 . 1 . . . . . LEU H . 6517 1 771 . 1 1 65 65 LEU HA H 1 3.94 0.02 . 1 . . . . . LEU HA . 6517 1 772 . 1 1 65 65 LEU HB2 H 1 1.41 0.02 . 2 . . . . . LEU HB2 . 6517 1 773 . 1 1 65 65 LEU HB3 H 1 1.72 0.02 . 2 . . . . . LEU HB3 . 6517 1 774 . 1 1 65 65 LEU HG H 1 1.59 0.02 . 1 . . . . . LEU HG . 6517 1 775 . 1 1 65 65 LEU HD11 H 1 0.72 0.02 . 1 . . . . . LEU HD1 . 6517 1 776 . 1 1 65 65 LEU HD12 H 1 0.72 0.02 . 1 . . . . . LEU HD1 . 6517 1 777 . 1 1 65 65 LEU HD13 H 1 0.72 0.02 . 1 . . . . . LEU HD1 . 6517 1 778 . 1 1 65 65 LEU HD21 H 1 0.47 0.02 . 1 . . . . . LEU HD2 . 6517 1 779 . 1 1 65 65 LEU HD22 H 1 0.47 0.02 . 1 . . . . . LEU HD2 . 6517 1 780 . 1 1 65 65 LEU HD23 H 1 0.47 0.02 . 1 . . . . . LEU HD2 . 6517 1 781 . 1 1 65 65 LEU CA C 13 56.7 0.2 . 1 . . . . . LEU CA . 6517 1 782 . 1 1 65 65 LEU CB C 13 42.8 0.2 . 1 . . . . . LEU CB . 6517 1 783 . 1 1 65 65 LEU CG C 13 26.3 0.2 . 1 . . . . . LEU CG . 6517 1 784 . 1 1 65 65 LEU CD1 C 13 26.4 0.2 . 1 . . . . . LEU CD1 . 6517 1 785 . 1 1 65 65 LEU CD2 C 13 22.7 0.2 . 1 . . . . . LEU CD2 . 6517 1 786 . 1 1 65 65 LEU N N 15 126.3 0.2 . 1 . . . . . LEU N . 6517 1 stop_ save_