data_6493 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6493 _Entry.Title ; Assignment of the 1H, 13C, and 15N resonances of URNdesign, a computationally redisgned RRM protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-02-07 _Entry.Accession_date 2005-02-07 _Entry.Last_release_date 2005-11-03 _Entry.Original_release_date 2005-11-03 _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 'Backbone assignments of URNdesign' _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 Neil Dobson . . . 6493 2 Gautam Dantas . . . 6493 3 Gabriele Varani . . . 6493 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6493 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 717 6493 '13C chemical shifts' 443 6493 '15N chemical shifts' 104 6493 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 . . 2005-11-03 2005-02-07 original author . 6493 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2A3J 'BMRB Entry Tracking System' 6493 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6493 _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 'Letter to the Editor: 1H, 13C and 15N resonance assignments of URNdesign, a computationally redesigned RRM protein' _Citation.Status submitted _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _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 Neil Dobson . . . 6493 1 2 Gautam Dantas . . . 6493 1 3 Gabriele Varani . . . 6493 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Computational design' 6493 1 'NMR assignments' 6493 1 RRM 6493 1 'U1A protein' 6493 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6493 _Assembly.ID 1 _Assembly.Name URNdesign _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 11454 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID protein 6493 1 stop_ 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 URNdesign 1 $URNdesign . . yes native no no . . . 6493 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_URNdesign _Entity.Sf_category entity _Entity.Sf_framecode URNdesign _Entity.Entry_ID 6493 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name URNdesign _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 ; MDSPDLGSTPPHTEPSQVVL ITNINPEVPKEKLQALLYAL ASSQGDILDIVVDLSDDNSG KAYIVFATQESAQAFVEAFQ GYPFQGNPLVITFSETPQSQ VAEDGSL ; _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 107 _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 11453 _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 2A3J . "Structure Of Urndesign, A Complete Computational Redesign Of Human U1a Protein" . . . . . 100.00 127 100.00 100.00 1.23e-69 . . . . 6493 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 . 6493 1 2 . ASP . 6493 1 3 . SER . 6493 1 4 . PRO . 6493 1 5 . ASP . 6493 1 6 . LEU . 6493 1 7 . GLY . 6493 1 8 . SER . 6493 1 9 . THR . 6493 1 10 . PRO . 6493 1 11 . PRO . 6493 1 12 . HIS . 6493 1 13 . THR . 6493 1 14 . GLU . 6493 1 15 . PRO . 6493 1 16 . SER . 6493 1 17 . GLN . 6493 1 18 . VAL . 6493 1 19 . VAL . 6493 1 20 . LEU . 6493 1 21 . ILE . 6493 1 22 . THR . 6493 1 23 . ASN . 6493 1 24 . ILE . 6493 1 25 . ASN . 6493 1 26 . PRO . 6493 1 27 . GLU . 6493 1 28 . VAL . 6493 1 29 . PRO . 6493 1 30 . LYS . 6493 1 31 . GLU . 6493 1 32 . LYS . 6493 1 33 . LEU . 6493 1 34 . GLN . 6493 1 35 . ALA . 6493 1 36 . LEU . 6493 1 37 . LEU . 6493 1 38 . TYR . 6493 1 39 . ALA . 6493 1 40 . LEU . 6493 1 41 . ALA . 6493 1 42 . SER . 6493 1 43 . SER . 6493 1 44 . GLN . 6493 1 45 . GLY . 6493 1 46 . ASP . 6493 1 47 . ILE . 6493 1 48 . LEU . 6493 1 49 . ASP . 6493 1 50 . ILE . 6493 1 51 . VAL . 6493 1 52 . VAL . 6493 1 53 . ASP . 6493 1 54 . LEU . 6493 1 55 . SER . 6493 1 56 . ASP . 6493 1 57 . ASP . 6493 1 58 . ASN . 6493 1 59 . SER . 6493 1 60 . GLY . 6493 1 61 . LYS . 6493 1 62 . ALA . 6493 1 63 . TYR . 6493 1 64 . ILE . 6493 1 65 . VAL . 6493 1 66 . PHE . 6493 1 67 . ALA . 6493 1 68 . THR . 6493 1 69 . GLN . 6493 1 70 . GLU . 6493 1 71 . SER . 6493 1 72 . ALA . 6493 1 73 . GLN . 6493 1 74 . ALA . 6493 1 75 . PHE . 6493 1 76 . VAL . 6493 1 77 . GLU . 6493 1 78 . ALA . 6493 1 79 . PHE . 6493 1 80 . GLN . 6493 1 81 . GLY . 6493 1 82 . TYR . 6493 1 83 . PRO . 6493 1 84 . PHE . 6493 1 85 . GLN . 6493 1 86 . GLY . 6493 1 87 . ASN . 6493 1 88 . PRO . 6493 1 89 . LEU . 6493 1 90 . VAL . 6493 1 91 . ILE . 6493 1 92 . THR . 6493 1 93 . PHE . 6493 1 94 . SER . 6493 1 95 . GLU . 6493 1 96 . THR . 6493 1 97 . PRO . 6493 1 98 . GLN . 6493 1 99 . SER . 6493 1 100 . GLN . 6493 1 101 . VAL . 6493 1 102 . ALA . 6493 1 103 . GLU . 6493 1 104 . ASP . 6493 1 105 . GLY . 6493 1 106 . SER . 6493 1 107 . LEU . 6493 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 6493 1 . ASP 2 2 6493 1 . SER 3 3 6493 1 . PRO 4 4 6493 1 . ASP 5 5 6493 1 . LEU 6 6 6493 1 . GLY 7 7 6493 1 . SER 8 8 6493 1 . THR 9 9 6493 1 . PRO 10 10 6493 1 . PRO 11 11 6493 1 . HIS 12 12 6493 1 . THR 13 13 6493 1 . GLU 14 14 6493 1 . PRO 15 15 6493 1 . SER 16 16 6493 1 . GLN 17 17 6493 1 . VAL 18 18 6493 1 . VAL 19 19 6493 1 . LEU 20 20 6493 1 . ILE 21 21 6493 1 . THR 22 22 6493 1 . ASN 23 23 6493 1 . ILE 24 24 6493 1 . ASN 25 25 6493 1 . PRO 26 26 6493 1 . GLU 27 27 6493 1 . VAL 28 28 6493 1 . PRO 29 29 6493 1 . LYS 30 30 6493 1 . GLU 31 31 6493 1 . LYS 32 32 6493 1 . LEU 33 33 6493 1 . GLN 34 34 6493 1 . ALA 35 35 6493 1 . LEU 36 36 6493 1 . LEU 37 37 6493 1 . TYR 38 38 6493 1 . ALA 39 39 6493 1 . LEU 40 40 6493 1 . ALA 41 41 6493 1 . SER 42 42 6493 1 . SER 43 43 6493 1 . GLN 44 44 6493 1 . GLY 45 45 6493 1 . ASP 46 46 6493 1 . ILE 47 47 6493 1 . LEU 48 48 6493 1 . ASP 49 49 6493 1 . ILE 50 50 6493 1 . VAL 51 51 6493 1 . VAL 52 52 6493 1 . ASP 53 53 6493 1 . LEU 54 54 6493 1 . SER 55 55 6493 1 . ASP 56 56 6493 1 . ASP 57 57 6493 1 . ASN 58 58 6493 1 . SER 59 59 6493 1 . GLY 60 60 6493 1 . LYS 61 61 6493 1 . ALA 62 62 6493 1 . TYR 63 63 6493 1 . ILE 64 64 6493 1 . VAL 65 65 6493 1 . PHE 66 66 6493 1 . ALA 67 67 6493 1 . THR 68 68 6493 1 . GLN 69 69 6493 1 . GLU 70 70 6493 1 . SER 71 71 6493 1 . ALA 72 72 6493 1 . GLN 73 73 6493 1 . ALA 74 74 6493 1 . PHE 75 75 6493 1 . VAL 76 76 6493 1 . GLU 77 77 6493 1 . ALA 78 78 6493 1 . PHE 79 79 6493 1 . GLN 80 80 6493 1 . GLY 81 81 6493 1 . TYR 82 82 6493 1 . PRO 83 83 6493 1 . PHE 84 84 6493 1 . GLN 85 85 6493 1 . GLY 86 86 6493 1 . ASN 87 87 6493 1 . PRO 88 88 6493 1 . LEU 89 89 6493 1 . VAL 90 90 6493 1 . ILE 91 91 6493 1 . THR 92 92 6493 1 . PHE 93 93 6493 1 . SER 94 94 6493 1 . GLU 95 95 6493 1 . THR 96 96 6493 1 . PRO 97 97 6493 1 . GLN 98 98 6493 1 . SER 99 99 6493 1 . GLN 100 100 6493 1 . VAL 101 101 6493 1 . ALA 102 102 6493 1 . GLU 103 103 6493 1 . ASP 104 104 6493 1 . GLY 105 105 6493 1 . SER 106 106 6493 1 . LEU 107 107 6493 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 6493 _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 $URNdesign . . . no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6493 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 6493 _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 $URNdesign . 'recombinant technology' . . . . . . . . . . . . . 'E. coli' . . . . . . . . pET 29b . . . . . 6493 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6493 _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 URNdesign . . . 1 $URNdesign . . 1.0 . . mM . . . . 6493 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 6493 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.8 0.2 pH 6493 1 temperature 298 0.5 K 6493 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_500MHz_Spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 500MHz_Spectrometer _NMR_spectrometer.Entry_ID 6493 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Bruker Advance with TXI HCN triple resonance probe with triple axis gradients' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500MHz save_ save_750MHz_Spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 750MHz_Spectrometer _NMR_spectrometer.Entry_ID 6493 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'Bruker Advance with TXI HCN triple resonance probe with z-axis gradients' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750MHz save_ save_600MHz_Spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_Spectrometer _NMR_spectrometer.Entry_ID 6493 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details 'spectrometer with cryoprobe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model . _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600MHz 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 6493 _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 isotropic . . 1 $conditions_1 . . . 1 $500MHz_Spectrometer . . . . . . . . . . . . . . . . 6493 1 2 HNCO no 1 $1H15N-HSQC . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6493 1 3 HNCACB no 1 $1H15N-HSQC . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6493 1 4 HBHA(CO)NH no 1 $1H15N-HSQC . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6493 1 5 HN(CO)CA no 1 $1H15N-HSQC . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6493 1 6 3D_15N_TOCSY no 1 $1H15N-HSQC . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6493 1 7 HCCH_TOCSY no 1 $1H15N-HSQC . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6493 1 8 3D_15N_NOESY no 1 $1H15N-HSQC . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6493 1 9 3D_13C_NOESY no 1 $1H15N-HSQC . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6493 1 10 2D_D2O_TOCSY no 1 $1H15N-HSQC . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6493 1 11 2D_D2O_NOESY no 1 $1H15N-HSQC . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6493 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 6493 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _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 1 _NMR_spec_expt.NMR_spectrometer_label $500MHz_Spectrometer _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 6493 _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 . . . . . . . . . 6493 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6493 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6493 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 6493 _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 1H15N-HSQC 1 $sample_1 isotropic 6493 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 3 3 SER HA H 1 4.41 . . 1 . . . . 3 SER HA . 6493 1 2 . 1 1 3 3 SER HB2 H 1 3.97 . . 2 . . . . 3 SER HB2 . 6493 1 3 . 1 1 3 3 SER HB3 H 1 3.75 . . 2 . . . . 3 SER HB3 . 6493 1 4 . 1 1 3 3 SER CA C 13 55.0 . . 1 . . . . 3 SER CA . 6493 1 5 . 1 1 3 3 SER CB C 13 62.9 . . 1 . . . . 3 SER CB . 6493 1 6 . 1 1 4 4 PRO HA H 1 4.35 . . 1 . . . . 4 PRO HA . 6493 1 7 . 1 1 4 4 PRO HB2 H 1 2.15 . . 2 . . . . 4 PRO HB2 . 6493 1 8 . 1 1 4 4 PRO HB3 H 1 1.79 . . 2 . . . . 4 PRO HB3 . 6493 1 9 . 1 1 4 4 PRO HG2 H 1 1.90 . . 1 . . . . 4 PRO HG2 . 6493 1 10 . 1 1 4 4 PRO HG3 H 1 1.90 . . 1 . . . . 4 PRO HG3 . 6493 1 11 . 1 1 4 4 PRO HD2 H 1 3.65 . . 2 . . . . 4 PRO HD2 . 6493 1 12 . 1 1 4 4 PRO HD3 H 1 3.54 . . 2 . . . . 4 PRO HD3 . 6493 1 13 . 1 1 4 4 PRO C C 13 173.4 . . 1 . . . . 4 PRO C . 6493 1 14 . 1 1 4 4 PRO CA C 13 61.20 . . 1 . . . . 4 PRO CA . 6493 1 15 . 1 1 4 4 PRO CB C 13 29.70 . . 1 . . . . 4 PRO CB . 6493 1 16 . 1 1 4 4 PRO CG C 13 24.9 . . 1 . . . . 4 PRO CG . 6493 1 17 . 1 1 4 4 PRO CD C 13 48.1 . . 1 . . . . 4 PRO CD . 6493 1 18 . 1 1 5 5 ASP H H 1 8.23 . . 1 . . . . 5 ASP H . 6493 1 19 . 1 1 5 5 ASP HA H 1 4.47 . . 1 . . . . 5 ASP HA . 6493 1 20 . 1 1 5 5 ASP HB2 H 1 2.61 . . 2 . . . . 5 ASP HB2 . 6493 1 21 . 1 1 5 5 ASP HB3 H 1 2.48 . . 2 . . . . 5 ASP HB3 . 6493 1 22 . 1 1 5 5 ASP C C 13 173.30 . . 1 . . . . 5 ASP C . 6493 1 23 . 1 1 5 5 ASP CA C 13 52.0 . . 1 . . . . 5 ASP CA . 6493 1 24 . 1 1 5 5 ASP CB C 13 28.40 . . 1 . . . . 5 ASP CB . 6493 1 25 . 1 1 5 5 ASP N N 15 119.10 . . 1 . . . . 5 ASP N . 6493 1 26 . 1 1 6 6 LEU H H 1 8.10 . . 1 . . . . 6 LEU H . 6493 1 27 . 1 1 6 6 LEU HA H 1 4.23 . . 1 . . . . 6 LEU HA . 6493 1 28 . 1 1 6 6 LEU HB2 H 1 1.54 . . 2 . . . . 6 LEU HB2 . 6493 1 29 . 1 1 6 6 LEU HB3 H 1 1.69 . . 2 . . . . 6 LEU HB3 . 6493 1 30 . 1 1 6 6 LEU HG H 1 1.51 . . 1 . . . . 6 LEU HG . 6493 1 31 . 1 1 6 6 LEU HD11 H 1 0.82 . . 2 . . . . 6 LEU HD1 . 6493 1 32 . 1 1 6 6 LEU HD12 H 1 0.82 . . 2 . . . . 6 LEU HD1 . 6493 1 33 . 1 1 6 6 LEU HD13 H 1 0.82 . . 2 . . . . 6 LEU HD1 . 6493 1 34 . 1 1 6 6 LEU HD21 H 1 0.75 . . 2 . . . . 6 LEU HD2 . 6493 1 35 . 1 1 6 6 LEU HD22 H 1 0.75 . . 2 . . . . 6 LEU HD2 . 6493 1 36 . 1 1 6 6 LEU HD23 H 1 0.75 . . 2 . . . . 6 LEU HD2 . 6493 1 37 . 1 1 6 6 LEU C C 13 175.00 . . 1 . . . . 6 LEU C . 6493 1 38 . 1 1 6 6 LEU CA C 13 53.10 . . 1 . . . . 6 LEU CA . 6493 1 39 . 1 1 6 6 LEU CB C 13 39.60 . . 1 . . . . 6 LEU CB . 6493 1 40 . 1 1 6 6 LEU CG C 13 24.40 . . 1 . . . . 6 LEU CG . 6493 1 41 . 1 1 6 6 LEU CD1 C 13 22.5 . . 2 . . . . 6 LEU CD1 . 6493 1 42 . 1 1 6 6 LEU CD2 C 13 20.6 . . 2 . . . . 6 LEU CD2 . 6493 1 43 . 1 1 6 6 LEU N N 15 122.60 . . 1 . . . . 6 LEU N . 6493 1 44 . 1 1 7 7 GLY H H 1 8.33 . . 1 . . . . 7 GLY H . 6493 1 45 . 1 1 7 7 GLY HA2 H 1 3.86 . . 1 . . . . 7 GLY HA2 . 6493 1 46 . 1 1 7 7 GLY HA3 H 1 3.86 . . 1 . . . . 7 GLY HA3 . 6493 1 47 . 1 1 7 7 GLY C C 13 175.60 . . 1 . . . . 7 GLY C . 6493 1 48 . 1 1 7 7 GLY CA C 13 47.45 . . 1 . . . . 7 GLY CA . 6493 1 49 . 1 1 7 7 GLY N N 15 109.27 . . 1 . . . . 7 GLY N . 6493 1 50 . 1 1 8 8 SER H H 1 8.00 . . 1 . . . . 8 SER H . 6493 1 51 . 1 1 8 8 SER HA H 1 4.41 . . 1 . . . . 8 SER HA . 6493 1 52 . 1 1 8 8 SER HB2 H 1 3.72 . . 1 . . . . 8 SER HB2 . 6493 1 53 . 1 1 8 8 SER HB3 H 1 3.72 . . 1 . . . . 8 SER HB3 . 6493 1 54 . 1 1 8 8 SER C C 13 175.65 . . 1 . . . . 8 SER C . 6493 1 55 . 1 1 8 8 SER CA C 13 59.95 . . 1 . . . . 8 SER CA . 6493 1 56 . 1 1 8 8 SER CB C 13 65.95 . . 1 . . . . 8 SER CB . 6493 1 57 . 1 1 8 8 SER N N 15 114.70 . . 1 . . . . 8 SER N . 6493 1 58 . 1 1 9 9 THR H H 1 8.10 . . 1 . . . . 9 THR H . 6493 1 59 . 1 1 9 9 THR HA H 1 4.48 . . 1 . . . . 9 THR HA . 6493 1 60 . 1 1 9 9 THR HB H 1 4.00 . . 1 . . . . 9 THR HB . 6493 1 61 . 1 1 9 9 THR HG21 H 1 1.13 . . 1 . . . . 9 THR HG2 . 6493 1 62 . 1 1 9 9 THR HG22 H 1 1.13 . . 1 . . . . 9 THR HG2 . 6493 1 63 . 1 1 9 9 THR HG23 H 1 1.13 . . 1 . . . . 9 THR HG2 . 6493 1 64 . 1 1 9 9 THR CA C 13 61.95 . . 1 . . . . 9 THR CA . 6493 1 65 . 1 1 9 9 THR CB C 13 71.85 . . 1 . . . . 9 THR CB . 6493 1 66 . 1 1 9 9 THR CG2 C 13 23.25 . . 1 . . . . 9 THR CG2 . 6493 1 67 . 1 1 9 9 THR N N 15 118.71 . . 1 . . . . 9 THR N . 6493 1 68 . 1 1 10 10 PRO HA H 1 4.56 . . 1 . . . . 10 PRO HA . 6493 1 69 . 1 1 10 10 PRO HB2 H 1 2.25 . . 2 . . . . 10 PRO HB2 . 6493 1 70 . 1 1 10 10 PRO HB3 H 1 1.76 . . 2 . . . . 10 PRO HB3 . 6493 1 71 . 1 1 10 10 PRO HG2 H 1 1.93 . . 2 . . . . 10 PRO HG2 . 6493 1 72 . 1 1 10 10 PRO HG3 H 1 1.92 . . 2 . . . . 10 PRO HG3 . 6493 1 73 . 1 1 10 10 PRO HD2 H 1 3.77 . . 2 . . . . 10 PRO HD2 . 6493 1 74 . 1 1 10 10 PRO HD3 H 1 3.57 . . 2 . . . . 10 PRO HD3 . 6493 1 75 . 1 1 10 10 PRO CA C 13 65.45 . . 1 . . . . 10 PRO CA . 6493 1 76 . 1 1 10 10 PRO CB C 13 32.75 . . 1 . . . . 10 PRO CB . 6493 1 77 . 1 1 10 10 PRO CG C 13 29.15 . . 1 . . . . 10 PRO CG . 6493 1 78 . 1 1 10 10 PRO CD C 13 53.15 . . 1 . . . . 10 PRO CD . 6493 1 79 . 1 1 11 11 PRO HA H 1 4.32 . . 1 . . . . 11 PRO HA . 6493 1 80 . 1 1 11 11 PRO HB2 H 1 2.17 . . 2 . . . . 11 PRO HB2 . 6493 1 81 . 1 1 11 11 PRO HB3 H 1 1.76 . . 2 . . . . 11 PRO HB3 . 6493 1 82 . 1 1 11 11 PRO HG2 H 1 1.9 . . 1 . . . . 11 PRO HG2 . 6493 1 83 . 1 1 11 11 PRO HG3 H 1 1.9 . . 1 . . . . 11 PRO HG3 . 6493 1 84 . 1 1 11 11 PRO HD2 H 1 3.70 . . 2 . . . . 11 PRO HD2 . 6493 1 85 . 1 1 11 11 PRO HD3 H 1 3.55 . . 2 . . . . 11 PRO HD3 . 6493 1 86 . 1 1 11 11 PRO C C 13 177.70 . . 1 . . . . 11 PRO C . 6493 1 87 . 1 1 11 11 PRO CA C 13 64.95 . . 1 . . . . 11 PRO CA . 6493 1 88 . 1 1 11 11 PRO CB C 13 34.15 . . 1 . . . . 11 PRO CB . 6493 1 89 . 1 1 11 11 PRO CG C 13 28.95 . . 1 . . . . 11 PRO CG . 6493 1 90 . 1 1 11 11 PRO CD C 13 52.65 . . 1 . . . . 11 PRO CD . 6493 1 91 . 1 1 12 12 HIS H H 1 8.46 . . 1 . . . . 12 HIS H . 6493 1 92 . 1 1 12 12 HIS HA H 1 4.63 . . 1 . . . . 12 HIS HA . 6493 1 93 . 1 1 12 12 HIS HB2 H 1 3.11 . . 1 . . . . 12 HIS HB2 . 6493 1 94 . 1 1 12 12 HIS HB3 H 1 3.11 . . 1 . . . . 12 HIS HB3 . 6493 1 95 . 1 1 12 12 HIS C C 13 176.30 . . 1 . . . . 12 HIS C . 6493 1 96 . 1 1 12 12 HIS CA C 13 57.85 . . 1 . . . . 12 HIS CA . 6493 1 97 . 1 1 12 12 HIS CB C 13 31.65 . . 1 . . . . 12 HIS CB . 6493 1 98 . 1 1 12 12 HIS N N 15 119.65 . . 1 . . . . 12 HIS N . 6493 1 99 . 1 1 13 13 THR H H 1 8.04 . . 1 . . . . 13 THR H . 6493 1 100 . 1 1 13 13 THR HA H 1 4.25 . . 1 . . . . 13 THR HA . 6493 1 101 . 1 1 13 13 THR HB H 1 4.03 . . 1 . . . . 13 THR HB . 6493 1 102 . 1 1 13 13 THR HG21 H 1 1.09 . . 1 . . . . 13 THR HG2 . 6493 1 103 . 1 1 13 13 THR HG22 H 1 1.09 . . 1 . . . . 13 THR HG2 . 6493 1 104 . 1 1 13 13 THR HG23 H 1 1.09 . . 1 . . . . 13 THR HG2 . 6493 1 105 . 1 1 13 13 THR C C 13 175.15 . . 1 . . . . 13 THR C . 6493 1 106 . 1 1 13 13 THR CA C 13 63.55 . . 1 . . . . 13 THR CA . 6493 1 107 . 1 1 13 13 THR CB C 13 72.15 . . 1 . . . . 13 THR CB . 6493 1 108 . 1 1 13 13 THR CG2 C 13 23.75 . . 1 . . . . 13 THR CG2 . 6493 1 109 . 1 1 13 13 THR N N 15 117.25 . . 1 . . . . 13 THR N . 6493 1 110 . 1 1 14 14 GLU H H 1 8.33 . . 1 . . . . 14 GLU H . 6493 1 111 . 1 1 14 14 GLU HA H 1 4.43 . . 1 . . . . 14 GLU HA . 6493 1 112 . 1 1 14 14 GLU HB2 H 1 1.93 . . 2 . . . . 14 GLU HB2 . 6493 1 113 . 1 1 14 14 GLU HB3 H 1 1.74 . . 2 . . . . 14 GLU HB3 . 6493 1 114 . 1 1 14 14 GLU HG2 H 1 2.19 . . 1 . . . . 14 GLU HG2 . 6493 1 115 . 1 1 14 14 GLU HG3 H 1 2.19 . . 1 . . . . 14 GLU HG3 . 6493 1 116 . 1 1 14 14 GLU CA C 13 55.95 . . 1 . . . . 14 GLU CA . 6493 1 117 . 1 1 14 14 GLU CB C 13 31.75 . . 1 . . . . 14 GLU CB . 6493 1 118 . 1 1 14 14 GLU CG C 13 38.15 . . 1 . . . . 14 GLU CG . 6493 1 119 . 1 1 14 14 GLU N N 15 124.99 . . 1 . . . . 14 GLU N . 6493 1 120 . 1 1 15 15 PRO HA H 1 3.15 . . 1 . . . . 15 PRO HA . 6493 1 121 . 1 1 15 15 PRO HB2 H 1 1.70 . . 2 . . . . 15 PRO HB2 . 6493 1 122 . 1 1 15 15 PRO HB3 H 1 1.52 . . 2 . . . . 15 PRO HB3 . 6493 1 123 . 1 1 15 15 PRO HG2 H 1 1.80 . . 1 . . . . 15 PRO HG2 . 6493 1 124 . 1 1 15 15 PRO HG3 H 1 1.80 . . 1 . . . . 15 PRO HG3 . 6493 1 125 . 1 1 15 15 PRO HD2 H 1 3.61 . . 2 . . . . 15 PRO HD2 . 6493 1 126 . 1 1 15 15 PRO HD3 H 1 3.48 . . 2 . . . . 15 PRO HD3 . 6493 1 127 . 1 1 15 15 PRO C C 13 176.85 . . 1 . . . . 15 PRO C . 6493 1 128 . 1 1 15 15 PRO CA C 13 64.75 . . 1 . . . . 15 PRO CA . 6493 1 129 . 1 1 15 15 PRO CB C 13 33.95 . . 1 . . . . 15 PRO CB . 6493 1 130 . 1 1 15 15 PRO CG C 13 29.15 . . 1 . . . . 15 PRO CG . 6493 1 131 . 1 1 15 15 PRO CD C 13 52.25 . . 1 . . . . 15 PRO CD . 6493 1 132 . 1 1 16 16 SER H H 1 7.08 . . 1 . . . . 16 SER H . 6493 1 133 . 1 1 16 16 SER HA H 1 4.41 . . 1 . . . . 16 SER HA . 6493 1 134 . 1 1 16 16 SER HB2 H 1 3.95 . . 2 . . . . 16 SER HB2 . 6493 1 135 . 1 1 16 16 SER HB3 H 1 3.75 . . 2 . . . . 16 SER HB3 . 6493 1 136 . 1 1 16 16 SER C C 13 174.45 . . 1 . . . . 16 SER C . 6493 1 137 . 1 1 16 16 SER CA C 13 58.65 . . 1 . . . . 16 SER CA . 6493 1 138 . 1 1 16 16 SER CB C 13 66.95 . . 1 . . . . 16 SER CB . 6493 1 139 . 1 1 16 16 SER N N 15 114.55 . . 1 . . . . 16 SER N . 6493 1 140 . 1 1 17 17 GLN H H 1 8.35 . . 1 . . . . 17 GLN H . 6493 1 141 . 1 1 17 17 GLN HA H 1 4.32 . . 1 . . . . 17 GLN HA . 6493 1 142 . 1 1 17 17 GLN HB2 H 1 2.08 . . 2 . . . . 17 GLN HB2 . 6493 1 143 . 1 1 17 17 GLN HB3 H 1 2.02 . . 2 . . . . 17 GLN HB3 . 6493 1 144 . 1 1 17 17 GLN HG2 H 1 2.11 . . 2 . . . . 17 GLN HG2 . 6493 1 145 . 1 1 17 17 GLN HG3 H 1 2.02 . . 2 . . . . 17 GLN HG3 . 6493 1 146 . 1 1 17 17 GLN HE21 H 1 7.64 . . 2 . . . . 17 GLN HE21 . 6493 1 147 . 1 1 17 17 GLN HE22 H 1 6.81 . . 2 . . . . 17 GLN HE22 . 6493 1 148 . 1 1 17 17 GLN C C 13 177.25 . . 1 . . . . 17 GLN C . 6493 1 149 . 1 1 17 17 GLN CA C 13 58.65 . . 1 . . . . 17 GLN CA . 6493 1 150 . 1 1 17 17 GLN CB C 13 32.65 . . 1 . . . . 17 GLN CB . 6493 1 151 . 1 1 17 17 GLN CG C 13 36.95 . . 1 . . . . 17 GLN CG . 6493 1 152 . 1 1 17 17 GLN N N 15 117.05 . . 1 . . . . 17 GLN N . 6493 1 153 . 1 1 17 17 GLN NE2 N 15 110.90 . . 1 . . . . 17 GLN NE2 . 6493 1 154 . 1 1 18 18 VAL H H 1 8.39 . . 1 . . . . 18 VAL H . 6493 1 155 . 1 1 18 18 VAL HA H 1 4.85 . . 1 . . . . 18 VAL HA . 6493 1 156 . 1 1 18 18 VAL HB H 1 2.03 . . 1 . . . . 18 VAL HB . 6493 1 157 . 1 1 18 18 VAL HG11 H 1 0.91 . . 2 . . . . 18 VAL HG1 . 6493 1 158 . 1 1 18 18 VAL HG12 H 1 0.91 . . 2 . . . . 18 VAL HG1 . 6493 1 159 . 1 1 18 18 VAL HG13 H 1 0.91 . . 2 . . . . 18 VAL HG1 . 6493 1 160 . 1 1 18 18 VAL HG21 H 1 0.82 . . 2 . . . . 18 VAL HG2 . 6493 1 161 . 1 1 18 18 VAL HG22 H 1 0.82 . . 2 . . . . 18 VAL HG2 . 6493 1 162 . 1 1 18 18 VAL HG23 H 1 0.82 . . 2 . . . . 18 VAL HG2 . 6493 1 163 . 1 1 18 18 VAL C C 13 176.75 . . 1 . . . . 18 VAL C . 6493 1 164 . 1 1 18 18 VAL CA C 13 64.15 . . 1 . . . . 18 VAL CA . 6493 1 165 . 1 1 18 18 VAL CB C 13 34.55 . . 1 . . . . 18 VAL CB . 6493 1 166 . 1 1 18 18 VAL CG1 C 13 24.2 . . 2 . . . . 18 VAL CG1 . 6493 1 167 . 1 1 18 18 VAL CG2 C 13 23.7 . . 2 . . . . 18 VAL CG2 . 6493 1 168 . 1 1 18 18 VAL N N 15 121.95 . . 1 . . . . 18 VAL N . 6493 1 169 . 1 1 19 19 VAL H H 1 8.97 . . 1 . . . . 19 VAL H . 6493 1 170 . 1 1 19 19 VAL HA H 1 4.74 . . 1 . . . . 19 VAL HA . 6493 1 171 . 1 1 19 19 VAL HB H 1 1.97 . . 1 . . . . 19 VAL HB . 6493 1 172 . 1 1 19 19 VAL HG11 H 1 0.93 . . 2 . . . . 19 VAL HG1 . 6493 1 173 . 1 1 19 19 VAL HG12 H 1 0.93 . . 2 . . . . 19 VAL HG1 . 6493 1 174 . 1 1 19 19 VAL HG13 H 1 0.93 . . 2 . . . . 19 VAL HG1 . 6493 1 175 . 1 1 19 19 VAL HG21 H 1 0.81 . . 2 . . . . 19 VAL HG2 . 6493 1 176 . 1 1 19 19 VAL HG22 H 1 0.81 . . 2 . . . . 19 VAL HG2 . 6493 1 177 . 1 1 19 19 VAL HG23 H 1 0.81 . . 2 . . . . 19 VAL HG2 . 6493 1 178 . 1 1 19 19 VAL C C 13 174.55 . . 1 . . . . 19 VAL C . 6493 1 179 . 1 1 19 19 VAL CA C 13 61.85 . . 1 . . . . 19 VAL CA . 6493 1 180 . 1 1 19 19 VAL CB C 13 36.05 . . 1 . . . . 19 VAL CB . 6493 1 181 . 1 1 19 19 VAL CG1 C 13 23.5 . . 2 . . . . 19 VAL CG1 . 6493 1 182 . 1 1 19 19 VAL CG2 C 13 24.5 . . 2 . . . . 19 VAL CG2 . 6493 1 183 . 1 1 19 19 VAL N N 15 123.25 . . 1 . . . . 19 VAL N . 6493 1 184 . 1 1 20 20 LEU H H 1 8.97 . . 1 . . . . 20 LEU H . 6493 1 185 . 1 1 20 20 LEU HA H 1 4.80 . . 1 . . . . 20 LEU HA . 6493 1 186 . 1 1 20 20 LEU HB2 H 1 1.53 . . 2 . . . . 20 LEU HB2 . 6493 1 187 . 1 1 20 20 LEU HB3 H 1 1.06 . . 2 . . . . 20 LEU HB3 . 6493 1 188 . 1 1 20 20 LEU HG H 1 1.18 . . 1 . . . . 20 LEU HG . 6493 1 189 . 1 1 20 20 LEU HD11 H 1 0.62 . . 2 . . . . 20 LEU HD1 . 6493 1 190 . 1 1 20 20 LEU HD12 H 1 0.62 . . 2 . . . . 20 LEU HD1 . 6493 1 191 . 1 1 20 20 LEU HD13 H 1 0.62 . . 2 . . . . 20 LEU HD1 . 6493 1 192 . 1 1 20 20 LEU HD21 H 1 0.14 . . 2 . . . . 20 LEU HD2 . 6493 1 193 . 1 1 20 20 LEU HD22 H 1 0.14 . . 2 . . . . 20 LEU HD2 . 6493 1 194 . 1 1 20 20 LEU HD23 H 1 0.14 . . 2 . . . . 20 LEU HD2 . 6493 1 195 . 1 1 20 20 LEU C C 13 176.15 . . 1 . . . . 20 LEU C . 6493 1 196 . 1 1 20 20 LEU CA C 13 55.58 . . 1 . . . . 20 LEU CA . 6493 1 197 . 1 1 20 20 LEU CB C 13 46.05 . . 1 . . . . 20 LEU CB . 6493 1 198 . 1 1 20 20 LEU CG C 13 28.95 . . 1 . . . . 20 LEU CG . 6493 1 199 . 1 1 20 20 LEU CD1 C 13 28.0 . . 2 . . . . 20 LEU CD1 . 6493 1 200 . 1 1 20 20 LEU CD2 C 13 23.6 . . 2 . . . . 20 LEU CD2 . 6493 1 201 . 1 1 20 20 LEU N N 15 126.80 . . 1 . . . . 20 LEU N . 6493 1 202 . 1 1 21 21 ILE H H 1 9.31 . . 1 . . . . 21 ILE H . 6493 1 203 . 1 1 21 21 ILE HA H 1 4.89 . . 1 . . . . 21 ILE HA . 6493 1 204 . 1 1 21 21 ILE HB H 1 1.56 . . 1 . . . . 21 ILE HB . 6493 1 205 . 1 1 21 21 ILE HG12 H 1 1.53 . . 4 . . . . 21 ILE HG12 . 6493 1 206 . 1 1 21 21 ILE HG13 H 1 0.93 . . 4 . . . . 21 ILE HG13 . 6493 1 207 . 1 1 21 21 ILE HG21 H 1 0.79 . . 4 . . . . 21 ILE HG2 . 6493 1 208 . 1 1 21 21 ILE HG22 H 1 0.79 . . 4 . . . . 21 ILE HG2 . 6493 1 209 . 1 1 21 21 ILE HG23 H 1 0.79 . . 4 . . . . 21 ILE HG2 . 6493 1 210 . 1 1 21 21 ILE HD11 H 1 0.70 . . 1 . . . . 21 ILE HD1 . 6493 1 211 . 1 1 21 21 ILE HD12 H 1 0.70 . . 1 . . . . 21 ILE HD1 . 6493 1 212 . 1 1 21 21 ILE HD13 H 1 0.70 . . 1 . . . . 21 ILE HD1 . 6493 1 213 . 1 1 21 21 ILE C C 13 176.75 . . 1 . . . . 21 ILE C . 6493 1 214 . 1 1 21 21 ILE CA C 13 61.95 . . 1 . . . . 21 ILE CA . 6493 1 215 . 1 1 21 21 ILE CB C 13 41.85 . . 1 . . . . 21 ILE CB . 6493 1 216 . 1 1 21 21 ILE CG1 C 13 30.2 . . 2 . . . . 21 ILE CG1 . 6493 1 217 . 1 1 21 21 ILE CG2 C 13 22.9 . . 2 . . . . 21 ILE CG2 . 6493 1 218 . 1 1 21 21 ILE CD1 C 13 17.45 . . 1 . . . . 21 ILE CD1 . 6493 1 219 . 1 1 21 21 ILE N N 15 127.60 . . 1 . . . . 21 ILE N . 6493 1 220 . 1 1 22 22 THR H H 1 8.93 . . 1 . . . . 22 THR H . 6493 1 221 . 1 1 22 22 THR HA H 1 4.86 . . 1 . . . . 22 THR HA . 6493 1 222 . 1 1 22 22 THR HB H 1 4.27 . . 1 . . . . 22 THR HB . 6493 1 223 . 1 1 22 22 THR HG21 H 1 1.03 . . 1 . . . . 22 THR HG2 . 6493 1 224 . 1 1 22 22 THR HG22 H 1 1.03 . . 1 . . . . 22 THR HG2 . 6493 1 225 . 1 1 22 22 THR HG23 H 1 1.03 . . 1 . . . . 22 THR HG2 . 6493 1 226 . 1 1 22 22 THR C C 13 174.95 . . 1 . . . . 22 THR C . 6493 1 227 . 1 1 22 22 THR CA C 13 62.15 . . 1 . . . . 22 THR CA . 6493 1 228 . 1 1 22 22 THR CB C 13 73.45 . . 1 . . . . 22 THR CB . 6493 1 229 . 1 1 22 22 THR CG2 C 13 23.05 . . 1 . . . . 22 THR CG2 . 6493 1 230 . 1 1 22 22 THR N N 15 116.30 . . 1 . . . . 22 THR N . 6493 1 231 . 1 1 23 23 ASN H H 1 8.59 . . 1 . . . . 23 ASN H . 6493 1 232 . 1 1 23 23 ASN HA H 1 4.31 . . 1 . . . . 23 ASN HA . 6493 1 233 . 1 1 23 23 ASN HB2 H 1 3.63 . . 2 . . . . 23 ASN HB2 . 6493 1 234 . 1 1 23 23 ASN HB3 H 1 2.43 . . 2 . . . . 23 ASN HB3 . 6493 1 235 . 1 1 23 23 ASN HD21 H 1 8.13 . . 2 . . . . 23 ASN HD21 . 6493 1 236 . 1 1 23 23 ASN HD22 H 1 7.02 . . 2 . . . . 23 ASN HD22 . 6493 1 237 . 1 1 23 23 ASN C C 13 176.75 . . 1 . . . . 23 ASN C . 6493 1 238 . 1 1 23 23 ASN CA C 13 56.15 . . 1 . . . . 23 ASN CA . 6493 1 239 . 1 1 23 23 ASN CB C 13 40.95 . . 1 . . . . 23 ASN CB . 6493 1 240 . 1 1 23 23 ASN N N 15 114.90 . . 1 . . . . 23 ASN N . 6493 1 241 . 1 1 23 23 ASN ND2 N 15 110.80 . . 1 . . . . 23 ASN ND2 . 6493 1 242 . 1 1 24 24 ILE H H 1 7.39 . . 1 . . . . 24 ILE H . 6493 1 243 . 1 1 24 24 ILE HA H 1 3.84 . . 1 . . . . 24 ILE HA . 6493 1 244 . 1 1 24 24 ILE HB H 1 1.12 . . 1 . . . . 24 ILE HB . 6493 1 245 . 1 1 24 24 ILE HG12 H 1 1.19 . . 4 . . . . 24 ILE HG12 . 6493 1 246 . 1 1 24 24 ILE HG13 H 1 0.63 . . 4 . . . . 24 ILE HG13 . 6493 1 247 . 1 1 24 24 ILE HG21 H 1 0.78 . . 4 . . . . 24 ILE HG2 . 6493 1 248 . 1 1 24 24 ILE HG22 H 1 0.78 . . 4 . . . . 24 ILE HG2 . 6493 1 249 . 1 1 24 24 ILE HG23 H 1 0.78 . . 4 . . . . 24 ILE HG2 . 6493 1 250 . 1 1 24 24 ILE HD11 H 1 0.44 . . 1 . . . . 24 ILE HD1 . 6493 1 251 . 1 1 24 24 ILE HD12 H 1 0.44 . . 1 . . . . 24 ILE HD1 . 6493 1 252 . 1 1 24 24 ILE HD13 H 1 0.44 . . 1 . . . . 24 ILE HD1 . 6493 1 253 . 1 1 24 24 ILE C C 13 177.35 . . 1 . . . . 24 ILE C . 6493 1 254 . 1 1 24 24 ILE CA C 13 62.75 . . 1 . . . . 24 ILE CA . 6493 1 255 . 1 1 24 24 ILE CB C 13 40.95 . . 1 . . . . 24 ILE CB . 6493 1 256 . 1 1 24 24 ILE CG1 C 13 29.6 . . 2 . . . . 24 ILE CG1 . 6493 1 257 . 1 1 24 24 ILE CG2 C 13 20.5 . . 2 . . . . 24 ILE CG2 . 6493 1 258 . 1 1 24 24 ILE CD1 C 13 15.85 . . 1 . . . . 24 ILE CD1 . 6493 1 259 . 1 1 24 24 ILE N N 15 117.24 . . 1 . . . . 24 ILE N . 6493 1 260 . 1 1 25 25 ASN H H 1 8.95 . . 1 . . . . 25 ASN H . 6493 1 261 . 1 1 25 25 ASN HA H 1 4.50 . . 1 . . . . 25 ASN HA . 6493 1 262 . 1 1 25 25 ASN HB2 H 1 2.85 . . 2 . . . . 25 ASN HB2 . 6493 1 263 . 1 1 25 25 ASN HB3 H 1 2.71 . . 2 . . . . 25 ASN HB3 . 6493 1 264 . 1 1 25 25 ASN HD21 H 1 7.66 . . 2 . . . . 25 ASN HD21 . 6493 1 265 . 1 1 25 25 ASN HD22 H 1 7.05 . . 2 . . . . 25 ASN HD22 . 6493 1 266 . 1 1 25 25 ASN CA C 13 53.45 . . 1 . . . . 25 ASN CA . 6493 1 267 . 1 1 25 25 ASN CB C 13 41.15 . . 1 . . . . 25 ASN CB . 6493 1 268 . 1 1 25 25 ASN N N 15 128.89 . . 1 . . . . 25 ASN N . 6493 1 269 . 1 1 25 25 ASN ND2 N 15 111.30 . . 1 . . . . 25 ASN ND2 . 6493 1 270 . 1 1 26 26 PRO HA H 1 4.36 . . 1 . . . . 26 PRO HA . 6493 1 271 . 1 1 26 26 PRO HB2 H 1 2.02 . . 2 . . . . 26 PRO HB2 . 6493 1 272 . 1 1 26 26 PRO HB3 H 1 1.93 . . 2 . . . . 26 PRO HB3 . 6493 1 273 . 1 1 26 26 PRO HG2 H 1 1.83 . . 1 . . . . 26 PRO HG2 . 6493 1 274 . 1 1 26 26 PRO HG3 H 1 1.83 . . 1 . . . . 26 PRO HG3 . 6493 1 275 . 1 1 26 26 PRO HD2 H 1 3.91 . . 2 . . . . 26 PRO HD2 . 6493 1 276 . 1 1 26 26 PRO HD3 H 1 3.75 . . 2 . . . . 26 PRO HD3 . 6493 1 277 . 1 1 26 26 PRO C C 13 175.90 . . 1 . . . . 26 PRO C . 6493 1 278 . 1 1 26 26 PRO CA C 13 65.55 . . 1 . . . . 26 PRO CA . 6493 1 279 . 1 1 26 26 PRO CB C 13 34.35 . . 1 . . . . 26 PRO CB . 6493 1 280 . 1 1 26 26 PRO CG C 13 28.95 . . 1 . . . . 26 PRO CG . 6493 1 281 . 1 1 26 26 PRO CD C 13 52.95 . . 1 . . . . 26 PRO CD . 6493 1 282 . 1 1 27 27 GLU H H 1 8.11 . . 1 . . . . 27 GLU H . 6493 1 283 . 1 1 27 27 GLU HA H 1 4.11 . . 1 . . . . 27 GLU HA . 6493 1 284 . 1 1 27 27 GLU HB2 H 1 2.00 . . 2 . . . . 27 GLU HB2 . 6493 1 285 . 1 1 27 27 GLU HB3 H 1 1.79 . . 2 . . . . 27 GLU HB3 . 6493 1 286 . 1 1 27 27 GLU HG2 H 1 2.19 . . 2 . . . . 27 GLU HG2 . 6493 1 287 . 1 1 27 27 GLU HG3 H 1 2.10 . . 2 . . . . 27 GLU HG3 . 6493 1 288 . 1 1 27 27 GLU C C 13 178.10 . . 1 . . . . 27 GLU C . 6493 1 289 . 1 1 27 27 GLU CA C 13 58.55 . . 1 . . . . 27 GLU CA . 6493 1 290 . 1 1 27 27 GLU CB C 13 31.45 . . 1 . . . . 27 GLU CB . 6493 1 291 . 1 1 27 27 GLU CG C 13 39.05 . . 1 . . . . 27 GLU CG . 6493 1 292 . 1 1 27 27 GLU N N 15 118.30 . . 1 . . . . 27 GLU N . 6493 1 293 . 1 1 28 28 VAL H H 1 7.10 . . 1 . . . . 28 VAL H . 6493 1 294 . 1 1 28 28 VAL HA H 1 4.12 . . 1 . . . . 28 VAL HA . 6493 1 295 . 1 1 28 28 VAL HB H 1 1.92 . . 1 . . . . 28 VAL HB . 6493 1 296 . 1 1 28 28 VAL HG11 H 1 0.85 . . 1 . . . . 28 VAL HG1 . 6493 1 297 . 1 1 28 28 VAL HG12 H 1 0.85 . . 1 . . . . 28 VAL HG1 . 6493 1 298 . 1 1 28 28 VAL HG13 H 1 0.85 . . 1 . . . . 28 VAL HG1 . 6493 1 299 . 1 1 28 28 VAL HG21 H 1 0.85 . . 1 . . . . 28 VAL HG2 . 6493 1 300 . 1 1 28 28 VAL HG22 H 1 0.85 . . 1 . . . . 28 VAL HG2 . 6493 1 301 . 1 1 28 28 VAL HG23 H 1 0.85 . . 1 . . . . 28 VAL HG2 . 6493 1 302 . 1 1 28 28 VAL CA C 13 62.25 . . 1 . . . . 28 VAL CA . 6493 1 303 . 1 1 28 28 VAL CB C 13 34.75 . . 1 . . . . 28 VAL CB . 6493 1 304 . 1 1 28 28 VAL CG1 C 13 23.2 . . 1 . . . . 28 VAL CG1 . 6493 1 305 . 1 1 28 28 VAL CG2 C 13 23.2 . . 1 . . . . 28 VAL CG2 . 6493 1 306 . 1 1 28 28 VAL N N 15 122.19 . . 1 . . . . 28 VAL N . 6493 1 307 . 1 1 29 29 PRO HA H 1 4.29 . . 1 . . . . 29 PRO HA . 6493 1 308 . 1 1 29 29 PRO HB2 H 1 2.40 . . 2 . . . . 29 PRO HB2 . 6493 1 309 . 1 1 29 29 PRO HB3 H 1 1.78 . . 2 . . . . 29 PRO HB3 . 6493 1 310 . 1 1 29 29 PRO HG2 H 1 2.00 . . 2 . . . . 29 PRO HG2 . 6493 1 311 . 1 1 29 29 PRO HG3 H 1 1.98 . . 2 . . . . 29 PRO HG3 . 6493 1 312 . 1 1 29 29 PRO HD2 H 1 4.00 . . 2 . . . . 29 PRO HD2 . 6493 1 313 . 1 1 29 29 PRO HD3 H 1 3.40 . . 2 . . . . 29 PRO HD3 . 6493 1 314 . 1 1 29 29 PRO C C 13 179.65 . . 1 . . . . 29 PRO C . 6493 1 315 . 1 1 29 29 PRO CA C 13 65.25 . . 1 . . . . 29 PRO CA . 6493 1 316 . 1 1 29 29 PRO CB C 13 34.65 . . 1 . . . . 29 PRO CB . 6493 1 317 . 1 1 29 29 PRO CG C 13 29.75 . . 1 . . . . 29 PRO CG . 6493 1 318 . 1 1 29 29 PRO CD C 13 52.95 . . 1 . . . . 29 PRO CD . 6493 1 319 . 1 1 30 30 LYS H H 1 8.80 . . 1 . . . . 30 LYS H . 6493 1 320 . 1 1 30 30 LYS HA H 1 3.70 . . 1 . . . . 30 LYS HA . 6493 1 321 . 1 1 30 30 LYS HB2 H 1 1.83 . . 2 . . . . 30 LYS HB2 . 6493 1 322 . 1 1 30 30 LYS HB3 H 1 1.71 . . 2 . . . . 30 LYS HB3 . 6493 1 323 . 1 1 30 30 LYS HG2 H 1 1.32 . . 1 . . . . 30 LYS HG2 . 6493 1 324 . 1 1 30 30 LYS HG3 H 1 1.32 . . 1 . . . . 30 LYS HG3 . 6493 1 325 . 1 1 30 30 LYS HD2 H 1 1.63 . . 1 . . . . 30 LYS HD2 . 6493 1 326 . 1 1 30 30 LYS HD3 H 1 1.63 . . 1 . . . . 30 LYS HD3 . 6493 1 327 . 1 1 30 30 LYS HE2 H 1 2.96 . . 1 . . . . 30 LYS HE2 . 6493 1 328 . 1 1 30 30 LYS HE3 H 1 2.96 . . 1 . . . . 30 LYS HE3 . 6493 1 329 . 1 1 30 30 LYS C C 13 179.15 . . 1 . . . . 30 LYS C . 6493 1 330 . 1 1 30 30 LYS CA C 13 62.65 . . 1 . . . . 30 LYS CA . 6493 1 331 . 1 1 30 30 LYS CB C 13 34.65 . . 1 . . . . 30 LYS CB . 6493 1 332 . 1 1 30 30 LYS CG C 13 26.85 . . 1 . . . . 30 LYS CG . 6493 1 333 . 1 1 30 30 LYS CD C 13 31.45 . . 1 . . . . 30 LYS CD . 6493 1 334 . 1 1 30 30 LYS CE C 13 44.45 . . 1 . . . . 30 LYS CE . 6493 1 335 . 1 1 30 30 LYS N N 15 125.15 . . 1 . . . . 30 LYS N . 6493 1 336 . 1 1 31 31 GLU H H 1 9.37 . . 1 . . . . 31 GLU H . 6493 1 337 . 1 1 31 31 GLU HA H 1 4.05 . . 1 . . . . 31 GLU HA . 6493 1 338 . 1 1 31 31 GLU HB2 H 1 1.94 . . 1 . . . . 31 GLU HB2 . 6493 1 339 . 1 1 31 31 GLU HB3 H 1 1.94 . . 1 . . . . 31 GLU HB3 . 6493 1 340 . 1 1 31 31 GLU HG2 H 1 2.24 . . 1 . . . . 31 GLU HG2 . 6493 1 341 . 1 1 31 31 GLU HG3 H 1 2.24 . . 1 . . . . 31 GLU HG3 . 6493 1 342 . 1 1 31 31 GLU C C 13 180.45 . . 1 . . . . 31 GLU C . 6493 1 343 . 1 1 31 31 GLU CA C 13 61.65 . . 1 . . . . 31 GLU CA . 6493 1 344 . 1 1 31 31 GLU CB C 13 30.25 . . 1 . . . . 31 GLU CB . 6493 1 345 . 1 1 31 31 GLU CG C 13 38.45 . . 1 . . . . 31 GLU CG . 6493 1 346 . 1 1 31 31 GLU N N 15 117.25 . . 1 . . . . 31 GLU N . 6493 1 347 . 1 1 32 32 LYS H H 1 7.06 . . 1 . . . . 32 LYS H . 6493 1 348 . 1 1 32 32 LYS HA H 1 4.20 . . 1 . . . . 32 LYS HA . 6493 1 349 . 1 1 32 32 LYS HB2 H 1 1.78 . . 1 . . . . 32 LYS HB2 . 6493 1 350 . 1 1 32 32 LYS HB3 H 1 1.78 . . 1 . . . . 32 LYS HB3 . 6493 1 351 . 1 1 32 32 LYS HG2 H 1 1.39 . . 2 . . . . 32 LYS HG2 . 6493 1 352 . 1 1 32 32 LYS HG3 H 1 1.24 . . 2 . . . . 32 LYS HG3 . 6493 1 353 . 1 1 32 32 LYS HD2 H 1 1.57 . . 1 . . . . 32 LYS HD2 . 6493 1 354 . 1 1 32 32 LYS HD3 H 1 1.57 . . 1 . . . . 32 LYS HD3 . 6493 1 355 . 1 1 32 32 LYS HE2 H 1 2.86 . . 2 . . . . 32 LYS HE2 . 6493 1 356 . 1 1 32 32 LYS HE3 H 1 2.80 . . 2 . . . . 32 LYS HE3 . 6493 1 357 . 1 1 32 32 LYS C C 13 179.25 . . 1 . . . . 32 LYS C . 6493 1 358 . 1 1 32 32 LYS CA C 13 60.05 . . 1 . . . . 32 LYS CA . 6493 1 359 . 1 1 32 32 LYS CB C 13 34.45 . . 1 . . . . 32 LYS CB . 6493 1 360 . 1 1 32 32 LYS CG C 13 27.25 . . 1 . . . . 32 LYS CG . 6493 1 361 . 1 1 32 32 LYS CD C 13 31.15 . . 1 . . . . 32 LYS CD . 6493 1 362 . 1 1 32 32 LYS CE C 13 43.95 . . 1 . . . . 32 LYS CE . 6493 1 363 . 1 1 32 32 LYS N N 15 120.35 . . 1 . . . . 32 LYS N . 6493 1 364 . 1 1 33 33 LEU H H 1 8.10 . . 1 . . . . 33 LEU H . 6493 1 365 . 1 1 33 33 LEU HA H 1 3.87 . . 1 . . . . 33 LEU HA . 6493 1 366 . 1 1 33 33 LEU HB2 H 1 1.69 . . 2 . . . . 33 LEU HB2 . 6493 1 367 . 1 1 33 33 LEU HB3 H 1 1.53 . . 2 . . . . 33 LEU HB3 . 6493 1 368 . 1 1 33 33 LEU HG H 1 1.45 . . 1 . . . . 33 LEU HG . 6493 1 369 . 1 1 33 33 LEU HD11 H 1 0.86 . . 2 . . . . 33 LEU HD1 . 6493 1 370 . 1 1 33 33 LEU HD12 H 1 0.86 . . 2 . . . . 33 LEU HD1 . 6493 1 371 . 1 1 33 33 LEU HD13 H 1 0.86 . . 2 . . . . 33 LEU HD1 . 6493 1 372 . 1 1 33 33 LEU HD21 H 1 0.84 . . 2 . . . . 33 LEU HD2 . 6493 1 373 . 1 1 33 33 LEU HD22 H 1 0.84 . . 2 . . . . 33 LEU HD2 . 6493 1 374 . 1 1 33 33 LEU HD23 H 1 0.84 . . 2 . . . . 33 LEU HD2 . 6493 1 375 . 1 1 33 33 LEU C C 13 179.65 . . 1 . . . . 33 LEU C . 6493 1 376 . 1 1 33 33 LEU CA C 13 60.35 . . 1 . . . . 33 LEU CA . 6493 1 377 . 1 1 33 33 LEU CB C 13 44.35 . . 1 . . . . 33 LEU CB . 6493 1 378 . 1 1 33 33 LEU CG C 13 28.75 . . 1 . . . . 33 LEU CG . 6493 1 379 . 1 1 33 33 LEU CD1 C 13 27.1 . . 1 . . . . 33 LEU CD1 . 6493 1 380 . 1 1 33 33 LEU CD2 C 13 27.1 . . 1 . . . . 33 LEU CD2 . 6493 1 381 . 1 1 33 33 LEU N N 15 120.05 . . 1 . . . . 33 LEU N . 6493 1 382 . 1 1 34 34 GLN H H 1 8.52 . . 1 . . . . 34 GLN H . 6493 1 383 . 1 1 34 34 GLN HA H 1 3.51 . . 1 . . . . 34 GLN HA . 6493 1 384 . 1 1 34 34 GLN HB2 H 1 2.07 . . 2 . . . . 34 GLN HB2 . 6493 1 385 . 1 1 34 34 GLN HB3 H 1 2.00 . . 2 . . . . 34 GLN HB3 . 6493 1 386 . 1 1 34 34 GLN HG2 H 1 2.16 . . 1 . . . . 34 GLN HG2 . 6493 1 387 . 1 1 34 34 GLN HG3 H 1 2.16 . . 1 . . . . 34 GLN HG3 . 6493 1 388 . 1 1 34 34 GLN HE21 H 1 7.30 . . 2 . . . . 34 GLN HE21 . 6493 1 389 . 1 1 34 34 GLN HE22 H 1 6.78 . . 2 . . . . 34 GLN HE22 . 6493 1 390 . 1 1 34 34 GLN C C 13 178.45 . . 1 . . . . 34 GLN C . 6493 1 391 . 1 1 34 34 GLN CA C 13 62.55 . . 1 . . . . 34 GLN CA . 6493 1 392 . 1 1 34 34 GLN CB C 13 30.65 . . 1 . . . . 34 GLN CB . 6493 1 393 . 1 1 34 34 GLN CG C 13 36.25 . . 1 . . . . 34 GLN CG . 6493 1 394 . 1 1 34 34 GLN N N 15 117.05 . . 1 . . . . 34 GLN N . 6493 1 395 . 1 1 34 34 GLN NE2 N 15 110.40 . . 1 . . . . 34 GLN NE2 . 6493 1 396 . 1 1 35 35 ALA H H 1 7.39 . . 1 . . . . 35 ALA H . 6493 1 397 . 1 1 35 35 ALA HA H 1 4.10 . . 1 . . . . 35 ALA HA . 6493 1 398 . 1 1 35 35 ALA HB1 H 1 1.44 . . 1 . . . . 35 ALA HB . 6493 1 399 . 1 1 35 35 ALA HB2 H 1 1.44 . . 1 . . . . 35 ALA HB . 6493 1 400 . 1 1 35 35 ALA HB3 H 1 1.44 . . 1 . . . . 35 ALA HB . 6493 1 401 . 1 1 35 35 ALA C C 13 182.85 . . 1 . . . . 35 ALA C . 6493 1 402 . 1 1 35 35 ALA CA C 13 57.15 . . 1 . . . . 35 ALA CA . 6493 1 403 . 1 1 35 35 ALA CB C 13 20.45 . . 1 . . . . 35 ALA CB . 6493 1 404 . 1 1 35 35 ALA N N 15 120.35 . . 1 . . . . 35 ALA N . 6493 1 405 . 1 1 36 36 LEU H H 1 8.44 . . 1 . . . . 36 LEU H . 6493 1 406 . 1 1 36 36 LEU HA H 1 4.14 . . 1 . . . . 36 LEU HA . 6493 1 407 . 1 1 36 36 LEU HB2 H 1 2.04 . . 2 . . . . 36 LEU HB2 . 6493 1 408 . 1 1 36 36 LEU HB3 H 1 1.61 . . 2 . . . . 36 LEU HB3 . 6493 1 409 . 1 1 36 36 LEU HG H 1 1.82 . . 1 . . . . 36 LEU HG . 6493 1 410 . 1 1 36 36 LEU HD11 H 1 0.68 . . 2 . . . . 36 LEU HD1 . 6493 1 411 . 1 1 36 36 LEU HD12 H 1 0.68 . . 2 . . . . 36 LEU HD1 . 6493 1 412 . 1 1 36 36 LEU HD13 H 1 0.68 . . 2 . . . . 36 LEU HD1 . 6493 1 413 . 1 1 36 36 LEU HD21 H 1 0.79 . . 2 . . . . 36 LEU HD2 . 6493 1 414 . 1 1 36 36 LEU HD22 H 1 0.79 . . 2 . . . . 36 LEU HD2 . 6493 1 415 . 1 1 36 36 LEU HD23 H 1 0.79 . . 2 . . . . 36 LEU HD2 . 6493 1 416 . 1 1 36 36 LEU C C 13 181.85 . . 1 . . . . 36 LEU C . 6493 1 417 . 1 1 36 36 LEU CA C 13 59.75 . . 1 . . . . 36 LEU CA . 6493 1 418 . 1 1 36 36 LEU CB C 13 44.45 . . 1 . . . . 36 LEU CB . 6493 1 419 . 1 1 36 36 LEU CG C 13 28.55 . . 1 . . . . 36 LEU CG . 6493 1 420 . 1 1 36 36 LEU CD1 C 13 27.5 . . 2 . . . . 36 LEU CD1 . 6493 1 421 . 1 1 36 36 LEU CD2 C 13 24.5 . . 2 . . . . 36 LEU CD2 . 6493 1 422 . 1 1 36 36 LEU N N 15 120.15 . . 1 . . . . 36 LEU N . 6493 1 423 . 1 1 37 37 LEU H H 1 8.53 . . 1 . . . . 37 LEU H . 6493 1 424 . 1 1 37 37 LEU HA H 1 3.79 . . 1 . . . . 37 LEU HA . 6493 1 425 . 1 1 37 37 LEU HB2 H 1 1.73 . . 2 . . . . 37 LEU HB2 . 6493 1 426 . 1 1 37 37 LEU HB3 H 1 0.85 . . 2 . . . . 37 LEU HB3 . 6493 1 427 . 1 1 37 37 LEU HG H 1 1.60 . . 1 . . . . 37 LEU HG . 6493 1 428 . 1 1 37 37 LEU HD11 H 1 0.35 . . 2 . . . . 37 LEU HD1 . 6493 1 429 . 1 1 37 37 LEU HD12 H 1 0.35 . . 2 . . . . 37 LEU HD1 . 6493 1 430 . 1 1 37 37 LEU HD13 H 1 0.35 . . 2 . . . . 37 LEU HD1 . 6493 1 431 . 1 1 37 37 LEU HD21 H 1 0.15 . . 2 . . . . 37 LEU HD2 . 6493 1 432 . 1 1 37 37 LEU HD22 H 1 0.15 . . 2 . . . . 37 LEU HD2 . 6493 1 433 . 1 1 37 37 LEU HD23 H 1 0.15 . . 2 . . . . 37 LEU HD2 . 6493 1 434 . 1 1 37 37 LEU C C 13 180.35 . . 1 . . . . 37 LEU C . 6493 1 435 . 1 1 37 37 LEU CA C 13 59.55 . . 1 . . . . 37 LEU CA . 6493 1 436 . 1 1 37 37 LEU CB C 13 43.75 . . 1 . . . . 37 LEU CB . 6493 1 437 . 1 1 37 37 LEU CG C 13 28.45 . . 1 . . . . 37 LEU CG . 6493 1 438 . 1 1 37 37 LEU CD1 C 13 27.7 . . 2 . . . . 37 LEU CD1 . 6493 1 439 . 1 1 37 37 LEU CD2 C 13 23.9 . . 2 . . . . 37 LEU CD2 . 6493 1 440 . 1 1 37 37 LEU N N 15 119.55 . . 1 . . . . 37 LEU N . 6493 1 441 . 1 1 38 38 TYR H H 1 8.36 . . 1 . . . . 38 TYR H . 6493 1 442 . 1 1 38 38 TYR HA H 1 3.53 . . 1 . . . . 38 TYR HA . 6493 1 443 . 1 1 38 38 TYR HB2 H 1 2.98 . . 1 . . . . 38 TYR HB2 . 6493 1 444 . 1 1 38 38 TYR HB3 H 1 2.98 . . 1 . . . . 38 TYR HB3 . 6493 1 445 . 1 1 38 38 TYR HD1 H 1 6.83 . . 1 . . . . 38 TYR HD1 . 6493 1 446 . 1 1 38 38 TYR HD2 H 1 6.83 . . 1 . . . . 38 TYR HD2 . 6493 1 447 . 1 1 38 38 TYR HE1 H 1 6.63 . . 1 . . . . 38 TYR HE1 . 6493 1 448 . 1 1 38 38 TYR HE2 H 1 6.63 . . 1 . . . . 38 TYR HE2 . 6493 1 449 . 1 1 38 38 TYR C C 13 179.75 . . 1 . . . . 38 TYR C . 6493 1 450 . 1 1 38 38 TYR CA C 13 64.65 . . 1 . . . . 38 TYR CA . 6493 1 451 . 1 1 38 38 TYR CB C 13 40.15 . . 1 . . . . 38 TYR CB . 6493 1 452 . 1 1 38 38 TYR CD1 C 13 129.6 . . 1 . . . . 38 TYR CD1 . 6493 1 453 . 1 1 38 38 TYR CD2 C 13 129.6 . . 1 . . . . 38 TYR CD2 . 6493 1 454 . 1 1 38 38 TYR CE1 C 13 115.5 . . 1 . . . . 38 TYR CE1 . 6493 1 455 . 1 1 38 38 TYR CE2 C 13 115.5 . . 1 . . . . 38 TYR CE2 . 6493 1 456 . 1 1 38 38 TYR N N 15 120.35 . . 1 . . . . 38 TYR N . 6493 1 457 . 1 1 39 39 ALA H H 1 7.76 . . 1 . . . . 39 ALA H . 6493 1 458 . 1 1 39 39 ALA HA H 1 3.91 . . 1 . . . . 39 ALA HA . 6493 1 459 . 1 1 39 39 ALA HB1 H 1 1.47 . . 1 . . . . 39 ALA HB . 6493 1 460 . 1 1 39 39 ALA HB2 H 1 1.47 . . 1 . . . . 39 ALA HB . 6493 1 461 . 1 1 39 39 ALA HB3 H 1 1.47 . . 1 . . . . 39 ALA HB . 6493 1 462 . 1 1 39 39 ALA C C 13 181.25 . . 1 . . . . 39 ALA C . 6493 1 463 . 1 1 39 39 ALA CA C 13 57.05 . . 1 . . . . 39 ALA CA . 6493 1 464 . 1 1 39 39 ALA CB C 13 20.15 . . 1 . . . . 39 ALA CB . 6493 1 465 . 1 1 39 39 ALA N N 15 121.85 . . 1 . . . . 39 ALA N . 6493 1 466 . 1 1 40 40 LEU H H 1 7.45 . . 1 . . . . 40 LEU H . 6493 1 467 . 1 1 40 40 LEU HA H 1 3.89 . . 1 . . . . 40 LEU HA . 6493 1 468 . 1 1 40 40 LEU HB2 H 1 1.41 . . 2 . . . . 40 LEU HB2 . 6493 1 469 . 1 1 40 40 LEU HB3 H 1 0.99 . . 2 . . . . 40 LEU HB3 . 6493 1 470 . 1 1 40 40 LEU HG H 1 1.16 . . 1 . . . . 40 LEU HG . 6493 1 471 . 1 1 40 40 LEU HD11 H 1 0.32 . . 2 . . . . 40 LEU HD1 . 6493 1 472 . 1 1 40 40 LEU HD12 H 1 0.32 . . 2 . . . . 40 LEU HD1 . 6493 1 473 . 1 1 40 40 LEU HD13 H 1 0.32 . . 2 . . . . 40 LEU HD1 . 6493 1 474 . 1 1 40 40 LEU HD21 H 1 0.31 . . 2 . . . . 40 LEU HD2 . 6493 1 475 . 1 1 40 40 LEU HD22 H 1 0.31 . . 2 . . . . 40 LEU HD2 . 6493 1 476 . 1 1 40 40 LEU HD23 H 1 0.31 . . 2 . . . . 40 LEU HD2 . 6493 1 477 . 1 1 40 40 LEU C C 13 180.35 . . 1 . . . . 40 LEU C . 6493 1 478 . 1 1 40 40 LEU CA C 13 59.35 . . 1 . . . . 40 LEU CA . 6493 1 479 . 1 1 40 40 LEU CB C 13 44.55 . . 1 . . . . 40 LEU CB . 6493 1 480 . 1 1 40 40 LEU CG C 13 27.75 . . 1 . . . . 40 LEU CG . 6493 1 481 . 1 1 40 40 LEU CD1 C 13 26.7 . . 2 . . . . 40 LEU CD1 . 6493 1 482 . 1 1 40 40 LEU CD2 C 13 25.7 . . 2 . . . . 40 LEU CD2 . 6493 1 483 . 1 1 40 40 LEU N N 15 117.35 . . 1 . . . . 40 LEU N . 6493 1 484 . 1 1 41 41 ALA H H 1 8.34 . . 1 . . . . 41 ALA H . 6493 1 485 . 1 1 41 41 ALA HA H 1 3.91 . . 1 . . . . 41 ALA HA . 6493 1 486 . 1 1 41 41 ALA HB1 H 1 0.74 . . 1 . . . . 41 ALA HB . 6493 1 487 . 1 1 41 41 ALA HB2 H 1 0.74 . . 1 . . . . 41 ALA HB . 6493 1 488 . 1 1 41 41 ALA HB3 H 1 0.74 . . 1 . . . . 41 ALA HB . 6493 1 489 . 1 1 41 41 ALA C C 13 180.45 . . 1 . . . . 41 ALA C . 6493 1 490 . 1 1 41 41 ALA CA C 13 56.95 . . 1 . . . . 41 ALA CA . 6493 1 491 . 1 1 41 41 ALA CB C 13 20.75 . . 1 . . . . 41 ALA CB . 6493 1 492 . 1 1 41 41 ALA N N 15 120.45 . . 1 . . . . 41 ALA N . 6493 1 493 . 1 1 42 42 SER H H 1 8.18 . . 1 . . . . 42 SER H . 6493 1 494 . 1 1 42 42 SER HA H 1 4.40 . . 1 . . . . 42 SER HA . 6493 1 495 . 1 1 42 42 SER HB2 H 1 3.76 . . 2 . . . . 42 SER HB2 . 6493 1 496 . 1 1 42 42 SER HB3 H 1 3.33 . . 2 . . . . 42 SER HB3 . 6493 1 497 . 1 1 42 42 SER C C 13 177.05 . . 1 . . . . 42 SER C . 6493 1 498 . 1 1 42 42 SER CA C 13 62.75 . . 1 . . . . 42 SER CA . 6493 1 499 . 1 1 42 42 SER CB C 13 64.45 . . 1 . . . . 42 SER CB . 6493 1 500 . 1 1 42 42 SER N N 15 112.55 . . 1 . . . . 42 SER N . 6493 1 501 . 1 1 43 43 SER H H 1 7.31 . . 1 . . . . 43 SER H . 6493 1 502 . 1 1 43 43 SER HA H 1 4.25 . . 1 . . . . 43 SER HA . 6493 1 503 . 1 1 43 43 SER HB2 H 1 4.02 . . 1 . . . . 43 SER HB2 . 6493 1 504 . 1 1 43 43 SER HB3 H 1 4.02 . . 1 . . . . 43 SER HB3 . 6493 1 505 . 1 1 43 43 SER C C 13 176.65 . . 1 . . . . 43 SER C . 6493 1 506 . 1 1 43 43 SER CA C 13 62.45 . . 1 . . . . 43 SER CA . 6493 1 507 . 1 1 43 43 SER CB C 13 65.45 . . 1 . . . . 43 SER CB . 6493 1 508 . 1 1 43 43 SER N N 15 116.15 . . 1 . . . . 43 SER N . 6493 1 509 . 1 1 44 44 GLN H H 1 7.98 . . 1 . . . . 44 GLN H . 6493 1 510 . 1 1 44 44 GLN HA H 1 4.40 . . 1 . . . . 44 GLN HA . 6493 1 511 . 1 1 44 44 GLN HB2 H 1 2.45 . . 2 . . . . 44 GLN HB2 . 6493 1 512 . 1 1 44 44 GLN HB3 H 1 1.95 . . 2 . . . . 44 GLN HB3 . 6493 1 513 . 1 1 44 44 GLN HG2 H 1 2.61 . . 2 . . . . 44 GLN HG2 . 6493 1 514 . 1 1 44 44 GLN HG3 H 1 2.18 . . 2 . . . . 44 GLN HG3 . 6493 1 515 . 1 1 44 44 GLN HE21 H 1 7.15 . . 2 . . . . 44 GLN HE21 . 6493 1 516 . 1 1 44 44 GLN HE22 H 1 6.15 . . 2 . . . . 44 GLN HE22 . 6493 1 517 . 1 1 44 44 GLN C C 13 177.25 . . 1 . . . . 44 GLN C . 6493 1 518 . 1 1 44 44 GLN CA C 13 56.65 . . 1 . . . . 44 GLN CA . 6493 1 519 . 1 1 44 44 GLN CB C 13 31.65 . . 1 . . . . 44 GLN CB . 6493 1 520 . 1 1 44 44 GLN CG C 13 35.75 . . 1 . . . . 44 GLN CG . 6493 1 521 . 1 1 44 44 GLN N N 15 118.35 . . 1 . . . . 44 GLN N . 6493 1 522 . 1 1 44 44 GLN NE2 N 15 111.40 . . 1 . . . . 44 GLN NE2 . 6493 1 523 . 1 1 45 45 GLY H H 1 7.44 . . 1 . . . . 45 GLY H . 6493 1 524 . 1 1 45 45 GLY HA2 H 1 4.19 . . 2 . . . . 45 GLY HA2 . 6493 1 525 . 1 1 45 45 GLY HA3 H 1 3.90 . . 2 . . . . 45 GLY HA3 . 6493 1 526 . 1 1 45 45 GLY C C 13 172.05 . . 1 . . . . 45 GLY C . 6493 1 527 . 1 1 45 45 GLY CA C 13 47.15 . . 1 . . . . 45 GLY CA . 6493 1 528 . 1 1 45 45 GLY N N 15 106.55 . . 1 . . . . 45 GLY N . 6493 1 529 . 1 1 46 46 ASP H H 1 8.22 . . 1 . . . . 46 ASP H . 6493 1 530 . 1 1 46 46 ASP HA H 1 4.53 . . 1 . . . . 46 ASP HA . 6493 1 531 . 1 1 46 46 ASP HB2 H 1 2.48 . . 1 . . . . 46 ASP HB2 . 6493 1 532 . 1 1 46 46 ASP HB3 H 1 2.48 . . 1 . . . . 46 ASP HB3 . 6493 1 533 . 1 1 46 46 ASP C C 13 177.25 . . 1 . . . . 46 ASP C . 6493 1 534 . 1 1 46 46 ASP CA C 13 56.95 . . 1 . . . . 46 ASP CA . 6493 1 535 . 1 1 46 46 ASP CB C 13 43.25 . . 1 . . . . 46 ASP CB . 6493 1 536 . 1 1 46 46 ASP N N 15 177.25 . . 1 . . . . 46 ASP N . 6493 1 537 . 1 1 47 47 ILE H H 1 8.40 . . 1 . . . . 47 ILE H . 6493 1 538 . 1 1 47 47 ILE HA H 1 3.87 . . 1 . . . . 47 ILE HA . 6493 1 539 . 1 1 47 47 ILE HB H 1 1.54 . . 1 . . . . 47 ILE HB . 6493 1 540 . 1 1 47 47 ILE HG12 H 1 0.87 . . 4 . . . . 47 ILE HG12 . 6493 1 541 . 1 1 47 47 ILE HG13 H 1 0.47 . . 4 . . . . 47 ILE HG13 . 6493 1 542 . 1 1 47 47 ILE HG21 H 1 0.31 . . 4 . . . . 47 ILE HG2 . 6493 1 543 . 1 1 47 47 ILE HG22 H 1 0.31 . . 4 . . . . 47 ILE HG2 . 6493 1 544 . 1 1 47 47 ILE HG23 H 1 0.31 . . 4 . . . . 47 ILE HG2 . 6493 1 545 . 1 1 47 47 ILE HD11 H 1 -0.08 . . 1 . . . . 47 ILE HD1 . 6493 1 546 . 1 1 47 47 ILE HD12 H 1 -0.08 . . 1 . . . . 47 ILE HD1 . 6493 1 547 . 1 1 47 47 ILE HD13 H 1 -0.08 . . 1 . . . . 47 ILE HD1 . 6493 1 548 . 1 1 47 47 ILE C C 13 177.55 . . 1 . . . . 47 ILE C . 6493 1 549 . 1 1 47 47 ILE CA C 13 61.65 . . 1 . . . . 47 ILE CA . 6493 1 550 . 1 1 47 47 ILE CB C 13 41.45 . . 1 . . . . 47 ILE CB . 6493 1 551 . 1 1 47 47 ILE CG1 C 13 28.8 . . 2 . . . . 47 ILE CG1 . 6493 1 552 . 1 1 47 47 ILE CG2 C 13 20.6 . . 2 . . . . 47 ILE CG2 . 6493 1 553 . 1 1 47 47 ILE CD1 C 13 15.65 . . 1 . . . . 47 ILE CD1 . 6493 1 554 . 1 1 47 47 ILE N N 15 123.25 . . 1 . . . . 47 ILE N . 6493 1 555 . 1 1 48 48 LEU H H 1 8.97 . . 1 . . . . 48 LEU H . 6493 1 556 . 1 1 48 48 LEU HA H 1 4.28 . . 1 . . . . 48 LEU HA . 6493 1 557 . 1 1 48 48 LEU HB2 H 1 1.30 . . 1 . . . . 48 LEU HB2 . 6493 1 558 . 1 1 48 48 LEU HB3 H 1 1.30 . . 1 . . . . 48 LEU HB3 . 6493 1 559 . 1 1 48 48 LEU HG H 1 1.20 . . 1 . . . . 48 LEU HG . 6493 1 560 . 1 1 48 48 LEU HD11 H 1 0.73 . . 2 . . . . 48 LEU HD1 . 6493 1 561 . 1 1 48 48 LEU HD12 H 1 0.73 . . 2 . . . . 48 LEU HD1 . 6493 1 562 . 1 1 48 48 LEU HD13 H 1 0.73 . . 2 . . . . 48 LEU HD1 . 6493 1 563 . 1 1 48 48 LEU HD21 H 1 0.68 . . 2 . . . . 48 LEU HD2 . 6493 1 564 . 1 1 48 48 LEU HD22 H 1 0.68 . . 2 . . . . 48 LEU HD2 . 6493 1 565 . 1 1 48 48 LEU HD23 H 1 0.68 . . 2 . . . . 48 LEU HD2 . 6493 1 566 . 1 1 48 48 LEU C C 13 177.15 . . 1 . . . . 48 LEU C . 6493 1 567 . 1 1 48 48 LEU CA C 13 57.65 . . 1 . . . . 48 LEU CA . 6493 1 568 . 1 1 48 48 LEU CB C 13 43.75 . . 1 . . . . 48 LEU CB . 6493 1 569 . 1 1 48 48 LEU CG C 13 29.35 . . 1 . . . . 48 LEU CG . 6493 1 570 . 1 1 48 48 LEU CD1 C 13 27.5 . . 2 . . . . 48 LEU CD1 . 6493 1 571 . 1 1 48 48 LEU CD2 C 13 24.0 . . 2 . . . . 48 LEU CD2 . 6493 1 572 . 1 1 48 48 LEU N N 15 126.35 . . 1 . . . . 48 LEU N . 6493 1 573 . 1 1 49 49 ASP H H 1 7.31 . . 1 . . . . 49 ASP H . 6493 1 574 . 1 1 49 49 ASP HA H 1 4.64 . . 1 . . . . 49 ASP HA . 6493 1 575 . 1 1 49 49 ASP HB2 H 1 2.45 . . 2 . . . . 49 ASP HB2 . 6493 1 576 . 1 1 49 49 ASP HB3 H 1 2.05 . . 2 . . . . 49 ASP HB3 . 6493 1 577 . 1 1 49 49 ASP C C 13 175.25 . . 1 . . . . 49 ASP C . 6493 1 578 . 1 1 49 49 ASP CA C 13 56.05 . . 1 . . . . 49 ASP CA . 6493 1 579 . 1 1 49 49 ASP CB C 13 45.95 . . 1 . . . . 49 ASP CB . 6493 1 580 . 1 1 49 49 ASP N N 15 116.15 . . 1 . . . . 49 ASP N . 6493 1 581 . 1 1 50 50 ILE H H 1 7.97 . . 1 . . . . 50 ILE H . 6493 1 582 . 1 1 50 50 ILE HA H 1 4.71 . . 1 . . . . 50 ILE HA . 6493 1 583 . 1 1 50 50 ILE HB H 1 1.51 . . 1 . . . . 50 ILE HB . 6493 1 584 . 1 1 50 50 ILE HG12 H 1 1.36 . . 4 . . . . 50 ILE HG12 . 6493 1 585 . 1 1 50 50 ILE HG13 H 1 0.70 . . 4 . . . . 50 ILE HG13 . 6493 1 586 . 1 1 50 50 ILE HG21 H 1 0.59 . . 4 . . . . 50 ILE HG2 . 6493 1 587 . 1 1 50 50 ILE HG22 H 1 0.59 . . 4 . . . . 50 ILE HG2 . 6493 1 588 . 1 1 50 50 ILE HG23 H 1 0.59 . . 4 . . . . 50 ILE HG2 . 6493 1 589 . 1 1 50 50 ILE HD11 H 1 0.53 . . 1 . . . . 50 ILE HD1 . 6493 1 590 . 1 1 50 50 ILE HD12 H 1 0.53 . . 1 . . . . 50 ILE HD1 . 6493 1 591 . 1 1 50 50 ILE HD13 H 1 0.53 . . 1 . . . . 50 ILE HD1 . 6493 1 592 . 1 1 50 50 ILE C C 13 175.15 . . 1 . . . . 50 ILE C . 6493 1 593 . 1 1 50 50 ILE CA C 13 63.25 . . 1 . . . . 50 ILE CA . 6493 1 594 . 1 1 50 50 ILE CB C 13 42.65 . . 1 . . . . 50 ILE CB . 6493 1 595 . 1 1 50 50 ILE CG1 C 13 30.0 . . 2 . . . . 50 ILE CG1 . 6493 1 596 . 1 1 50 50 ILE CG2 C 13 17.8 . . 2 . . . . 50 ILE CG2 . 6493 1 597 . 1 1 50 50 ILE CD1 C 13 15.65 . . 1 . . . . 50 ILE CD1 . 6493 1 598 . 1 1 50 50 ILE N N 15 120.85 . . 1 . . . . 50 ILE N . 6493 1 599 . 1 1 51 51 VAL H H 1 8.88 . . 1 . . . . 51 VAL H . 6493 1 600 . 1 1 51 51 VAL HA H 1 4.22 . . 1 . . . . 51 VAL HA . 6493 1 601 . 1 1 51 51 VAL HB H 1 1.73 . . 1 . . . . 51 VAL HB . 6493 1 602 . 1 1 51 51 VAL HG11 H 1 0.76 . . 2 . . . . 51 VAL HG1 . 6493 1 603 . 1 1 51 51 VAL HG12 H 1 0.76 . . 2 . . . . 51 VAL HG1 . 6493 1 604 . 1 1 51 51 VAL HG13 H 1 0.76 . . 2 . . . . 51 VAL HG1 . 6493 1 605 . 1 1 51 51 VAL HG21 H 1 0.68 . . 2 . . . . 51 VAL HG2 . 6493 1 606 . 1 1 51 51 VAL HG22 H 1 0.68 . . 2 . . . . 51 VAL HG2 . 6493 1 607 . 1 1 51 51 VAL HG23 H 1 0.68 . . 2 . . . . 51 VAL HG2 . 6493 1 608 . 1 1 51 51 VAL C C 13 176.35 . . 1 . . . . 51 VAL C . 6493 1 609 . 1 1 51 51 VAL CA C 13 63.15 . . 1 . . . . 51 VAL CA . 6493 1 610 . 1 1 51 51 VAL CB C 13 37.15 . . 1 . . . . 51 VAL CB . 6493 1 611 . 1 1 51 51 VAL CG1 C 13 23.1 . . 1 . . . . 51 VAL CG1 . 6493 1 612 . 1 1 51 51 VAL CG2 C 13 23.1 . . 1 . . . . 51 VAL CG2 . 6493 1 613 . 1 1 51 51 VAL N N 15 128.45 . . 1 . . . . 51 VAL N . 6493 1 614 . 1 1 52 52 VAL H H 1 8.73 . . 1 . . . . 52 VAL H . 6493 1 615 . 1 1 52 52 VAL HA H 1 4.38 . . 1 . . . . 52 VAL HA . 6493 1 616 . 1 1 52 52 VAL HB H 1 1.91 . . 1 . . . . 52 VAL HB . 6493 1 617 . 1 1 52 52 VAL HG11 H 1 0.80 . . 2 . . . . 52 VAL HG1 . 6493 1 618 . 1 1 52 52 VAL HG12 H 1 0.80 . . 2 . . . . 52 VAL HG1 . 6493 1 619 . 1 1 52 52 VAL HG13 H 1 0.80 . . 2 . . . . 52 VAL HG1 . 6493 1 620 . 1 1 52 52 VAL HG21 H 1 0.73 . . 2 . . . . 52 VAL HG2 . 6493 1 621 . 1 1 52 52 VAL HG22 H 1 0.73 . . 2 . . . . 52 VAL HG2 . 6493 1 622 . 1 1 52 52 VAL HG23 H 1 0.73 . . 2 . . . . 52 VAL HG2 . 6493 1 623 . 1 1 52 52 VAL C C 13 175.55 . . 1 . . . . 52 VAL C . 6493 1 624 . 1 1 52 52 VAL CA C 13 63.25 . . 1 . . . . 52 VAL CA . 6493 1 625 . 1 1 52 52 VAL CB C 13 35.25 . . 1 . . . . 52 VAL CB . 6493 1 626 . 1 1 52 52 VAL CG1 C 13 23.0 . . 1 . . . . 52 VAL CG1 . 6493 1 627 . 1 1 52 52 VAL CG2 C 13 23.0 . . 1 . . . . 52 VAL CG2 . 6493 1 628 . 1 1 52 52 VAL N N 15 125.65 . . 1 . . . . 52 VAL N . 6493 1 629 . 1 1 53 53 ASP H H 1 8.90 . . 1 . . . . 53 ASP H . 6493 1 630 . 1 1 53 53 ASP HA H 1 4.80 . . 1 . . . . 53 ASP HA . 6493 1 631 . 1 1 53 53 ASP HB2 H 1 2.75 . . 2 . . . . 53 ASP HB2 . 6493 1 632 . 1 1 53 53 ASP HB3 H 1 2.40 . . 2 . . . . 53 ASP HB3 . 6493 1 633 . 1 1 53 53 ASP C C 13 177.15 . . 1 . . . . 53 ASP C . 6493 1 634 . 1 1 53 53 ASP CA C 13 55.35 . . 1 . . . . 53 ASP CA . 6493 1 635 . 1 1 53 53 ASP CB C 13 44.65 . . 1 . . . . 53 ASP CB . 6493 1 636 . 1 1 53 53 ASP N N 15 126.65 . . 1 . . . . 53 ASP N . 6493 1 637 . 1 1 54 54 LEU H H 1 8.83 . . 1 . . . . 54 LEU H . 6493 1 638 . 1 1 54 54 LEU HA H 1 4.70 . . 1 . . . . 54 LEU HA . 6493 1 639 . 1 1 54 54 LEU HB2 H 1 1.76 . . 2 . . . . 54 LEU HB2 . 6493 1 640 . 1 1 54 54 LEU HB3 H 1 1.52 . . 2 . . . . 54 LEU HB3 . 6493 1 641 . 1 1 54 54 LEU HG H 1 1.47 . . 1 . . . . 54 LEU HG . 6493 1 642 . 1 1 54 54 LEU HD11 H 1 0.86 . . 2 . . . . 54 LEU HD1 . 6493 1 643 . 1 1 54 54 LEU HD12 H 1 0.86 . . 2 . . . . 54 LEU HD1 . 6493 1 644 . 1 1 54 54 LEU HD13 H 1 0.86 . . 2 . . . . 54 LEU HD1 . 6493 1 645 . 1 1 54 54 LEU HD21 H 1 0.73 . . 2 . . . . 54 LEU HD2 . 6493 1 646 . 1 1 54 54 LEU HD22 H 1 0.73 . . 2 . . . . 54 LEU HD2 . 6493 1 647 . 1 1 54 54 LEU HD23 H 1 0.73 . . 2 . . . . 54 LEU HD2 . 6493 1 648 . 1 1 54 54 LEU C C 13 178.25 . . 1 . . . . 54 LEU C . 6493 1 649 . 1 1 54 54 LEU CA C 13 55.75 . . 1 . . . . 54 LEU CA . 6493 1 650 . 1 1 54 54 LEU CB C 13 43.05 . . 1 . . . . 54 LEU CB . 6493 1 651 . 1 1 54 54 LEU CG C 13 29.35 . . 1 . . . . 54 LEU CG . 6493 1 652 . 1 1 54 54 LEU CD1 C 13 27.5 . . 1 . . . . 54 LEU CD1 . 6493 1 653 . 1 1 54 54 LEU CD2 C 13 24.0 . . 1 . . . . 54 LEU CD2 . 6493 1 654 . 1 1 54 54 LEU N N 15 128.15 . . 1 . . . . 54 LEU N . 6493 1 655 . 1 1 55 55 SER H H 1 8.41 . . 1 . . . . 55 SER H . 6493 1 656 . 1 1 55 55 SER HA H 1 4.16 . . 1 . . . . 55 SER HA . 6493 1 657 . 1 1 55 55 SER HB2 H 1 3.84 . . 1 . . . . 55 SER HB2 . 6493 1 658 . 1 1 55 55 SER HB3 H 1 3.84 . . 1 . . . . 55 SER HB3 . 6493 1 659 . 1 1 55 55 SER C C 13 175.95 . . 1 . . . . 55 SER C . 6493 1 660 . 1 1 55 55 SER CA C 13 62.25 . . 1 . . . . 55 SER CA . 6493 1 661 . 1 1 55 55 SER CB C 13 65.85 . . 1 . . . . 55 SER CB . 6493 1 662 . 1 1 55 55 SER N N 15 116.65 . . 1 . . . . 55 SER N . 6493 1 663 . 1 1 56 56 ASP H H 1 8.37 . . 1 . . . . 56 ASP H . 6493 1 664 . 1 1 56 56 ASP HA H 1 4.62 . . 1 . . . . 56 ASP HA . 6493 1 665 . 1 1 56 56 ASP HB2 H 1 2.87 . . 2 . . . . 56 ASP HB2 . 6493 1 666 . 1 1 56 56 ASP HB3 H 1 2.49 . . 2 . . . . 56 ASP HB3 . 6493 1 667 . 1 1 56 56 ASP C C 13 177.45 . . 1 . . . . 56 ASP C . 6493 1 668 . 1 1 56 56 ASP CA C 13 56.15 . . 1 . . . . 56 ASP CA . 6493 1 669 . 1 1 56 56 ASP CB C 13 43.55 . . 1 . . . . 56 ASP CB . 6493 1 670 . 1 1 56 56 ASP N N 15 123.05 . . 1 . . . . 56 ASP N . 6493 1 671 . 1 1 57 57 ASP H H 1 8.27 . . 1 . . . . 57 ASP H . 6493 1 672 . 1 1 57 57 ASP HA H 1 4.29 . . 1 . . . . 57 ASP HA . 6493 1 673 . 1 1 57 57 ASP HB2 H 1 2.56 . . 1 . . . . 57 ASP HB2 . 6493 1 674 . 1 1 57 57 ASP HB3 H 1 2.56 . . 1 . . . . 57 ASP HB3 . 6493 1 675 . 1 1 57 57 ASP C C 13 177.65 . . 1 . . . . 57 ASP C . 6493 1 676 . 1 1 57 57 ASP CA C 13 57.75 . . 1 . . . . 57 ASP CA . 6493 1 677 . 1 1 57 57 ASP CB C 13 42.55 . . 1 . . . . 57 ASP CB . 6493 1 678 . 1 1 57 57 ASP N N 15 121.55 . . 1 . . . . 57 ASP N . 6493 1 679 . 1 1 58 58 ASN H H 1 8.39 . . 1 . . . . 58 ASN H . 6493 1 680 . 1 1 58 58 ASN HA H 1 4.57 . . 1 . . . . 58 ASN HA . 6493 1 681 . 1 1 58 58 ASN HB2 H 1 2.72 . . 2 . . . . 58 ASN HB2 . 6493 1 682 . 1 1 58 58 ASN HB3 H 1 2.67 . . 2 . . . . 58 ASN HB3 . 6493 1 683 . 1 1 58 58 ASN HD21 H 1 7.38 . . 2 . . . . 58 ASN HD21 . 6493 1 684 . 1 1 58 58 ASN HD22 H 1 6.82 . . 2 . . . . 58 ASN HD22 . 6493 1 685 . 1 1 58 58 ASN C C 13 176.55 . . 1 . . . . 58 ASN C . 6493 1 686 . 1 1 58 58 ASN CA C 13 56.35 . . 1 . . . . 58 ASN CA . 6493 1 687 . 1 1 58 58 ASN CB C 13 41.55 . . 1 . . . . 58 ASN CB . 6493 1 688 . 1 1 58 58 ASN N N 15 115.75 . . 1 . . . . 58 ASN N . 6493 1 689 . 1 1 58 58 ASN ND2 N 15 113.50 . . 1 . . . . 58 ASN ND2 . 6493 1 690 . 1 1 59 59 SER H H 1 7.73 . . 1 . . . . 59 SER H . 6493 1 691 . 1 1 59 59 SER HA H 1 4.41 . . 1 . . . . 59 SER HA . 6493 1 692 . 1 1 59 59 SER HB2 H 1 3.72 . . 1 . . . . 59 SER HB2 . 6493 1 693 . 1 1 59 59 SER HB3 H 1 3.72 . . 1 . . . . 59 SER HB3 . 6493 1 694 . 1 1 59 59 SER C C 13 175.45 . . 1 . . . . 59 SER C . 6493 1 695 . 1 1 59 59 SER CA C 13 60.05 . . 1 . . . . 59 SER CA . 6493 1 696 . 1 1 59 59 SER CB C 13 65.95 . . 1 . . . . 59 SER CB . 6493 1 697 . 1 1 59 59 SER N N 15 113.25 . . 1 . . . . 59 SER N . 6493 1 698 . 1 1 60 60 GLY H H 1 9.04 . . 1 . . . . 60 GLY H . 6493 1 699 . 1 1 60 60 GLY HA2 H 1 4.29 . . 2 . . . . 60 GLY HA2 . 6493 1 700 . 1 1 60 60 GLY HA3 H 1 3.42 . . 2 . . . . 60 GLY HA3 . 6493 1 701 . 1 1 60 60 GLY C C 13 173.75 . . 1 . . . . 60 GLY C . 6493 1 702 . 1 1 60 60 GLY CA C 13 47.85 . . 1 . . . . 60 GLY CA . 6493 1 703 . 1 1 60 60 GLY N N 15 113.15 . . 1 . . . . 60 GLY N . 6493 1 704 . 1 1 61 61 LYS H H 1 8.02 . . 1 . . . . 61 LYS H . 6493 1 705 . 1 1 61 61 LYS HA H 1 5.24 . . 1 . . . . 61 LYS HA . 6493 1 706 . 1 1 61 61 LYS HB2 H 1 1.65 . . 2 . . . . 61 LYS HB2 . 6493 1 707 . 1 1 61 61 LYS HB3 H 1 1.55 . . 2 . . . . 61 LYS HB3 . 6493 1 708 . 1 1 61 61 LYS HG2 H 1 1.29 . . 2 . . . . 61 LYS HG2 . 6493 1 709 . 1 1 61 61 LYS HG3 H 1 1.25 . . 2 . . . . 61 LYS HG3 . 6493 1 710 . 1 1 61 61 LYS HD2 H 1 1.52 . . 1 . . . . 61 LYS HD2 . 6493 1 711 . 1 1 61 61 LYS HD3 H 1 1.52 . . 1 . . . . 61 LYS HD3 . 6493 1 712 . 1 1 61 61 LYS HE2 H 1 2.87 . . 1 . . . . 61 LYS HE2 . 6493 1 713 . 1 1 61 61 LYS HE3 H 1 2.87 . . 1 . . . . 61 LYS HE3 . 6493 1 714 . 1 1 61 61 LYS C C 13 175.55 . . 1 . . . . 61 LYS C . 6493 1 715 . 1 1 61 61 LYS CA C 13 56.85 . . 1 . . . . 61 LYS CA . 6493 1 716 . 1 1 61 61 LYS CB C 13 38.75 . . 1 . . . . 61 LYS CB . 6493 1 717 . 1 1 61 61 LYS CG C 13 26.55 . . 1 . . . . 61 LYS CG . 6493 1 718 . 1 1 61 61 LYS CD C 13 31.55 . . 1 . . . . 61 LYS CD . 6493 1 719 . 1 1 61 61 LYS CE C 13 43.95 . . 1 . . . . 61 LYS CE . 6493 1 720 . 1 1 61 61 LYS N N 15 119.35 . . 1 . . . . 61 LYS N . 6493 1 721 . 1 1 62 62 ALA H H 1 8.81 . . 1 . . . . 62 ALA H . 6493 1 722 . 1 1 62 62 ALA HA H 1 5.10 . . 1 . . . . 62 ALA HA . 6493 1 723 . 1 1 62 62 ALA HB1 H 1 0.90 . . 1 . . . . 62 ALA HB . 6493 1 724 . 1 1 62 62 ALA HB2 H 1 0.90 . . 1 . . . . 62 ALA HB . 6493 1 725 . 1 1 62 62 ALA HB3 H 1 0.90 . . 1 . . . . 62 ALA HB . 6493 1 726 . 1 1 62 62 ALA C C 13 175.65 . . 1 . . . . 62 ALA C . 6493 1 727 . 1 1 62 62 ALA CA C 13 52.55 . . 1 . . . . 62 ALA CA . 6493 1 728 . 1 1 62 62 ALA CB C 13 25.05 . . 1 . . . . 62 ALA CB . 6493 1 729 . 1 1 62 62 ALA N N 15 121.05 . . 1 . . . . 62 ALA N . 6493 1 730 . 1 1 63 63 TYR H H 1 9.02 . . 1 . . . . 63 TYR H . 6493 1 731 . 1 1 63 63 TYR HA H 1 5.54 . . 1 . . . . 63 TYR HA . 6493 1 732 . 1 1 63 63 TYR HB2 H 1 2.60 . . 2 . . . . 63 TYR HB2 . 6493 1 733 . 1 1 63 63 TYR HB3 H 1 2.49 . . 2 . . . . 63 TYR HB3 . 6493 1 734 . 1 1 63 63 TYR HD1 H 1 6.75 . . 1 . . . . 63 TYR HD1 . 6493 1 735 . 1 1 63 63 TYR HD2 H 1 6.75 . . 1 . . . . 63 TYR HD2 . 6493 1 736 . 1 1 63 63 TYR HE1 H 1 6.64 . . 1 . . . . 63 TYR HE1 . 6493 1 737 . 1 1 63 63 TYR HE2 H 1 6.64 . . 1 . . . . 63 TYR HE2 . 6493 1 738 . 1 1 63 63 TYR C C 13 176.95 . . 1 . . . . 63 TYR C . 6493 1 739 . 1 1 63 63 TYR CA C 13 58.05 . . 1 . . . . 63 TYR CA . 6493 1 740 . 1 1 63 63 TYR CB C 13 42.55 . . 1 . . . . 63 TYR CB . 6493 1 741 . 1 1 63 63 TYR CD1 C 13 129.9 . . 1 . . . . 63 TYR CD1 . 6493 1 742 . 1 1 63 63 TYR CD2 C 13 129.9 . . 1 . . . . 63 TYR CD2 . 6493 1 743 . 1 1 63 63 TYR CE1 C 13 115.5 . . 1 . . . . 63 TYR CE1 . 6493 1 744 . 1 1 63 63 TYR CE2 C 13 115.5 . . 1 . . . . 63 TYR CE2 . 6493 1 745 . 1 1 63 63 TYR N N 15 118.65 . . 1 . . . . 63 TYR N . 6493 1 746 . 1 1 64 64 ILE H H 1 8.93 . . 1 . . . . 64 ILE H . 6493 1 747 . 1 1 64 64 ILE HA H 1 4.31 . . 1 . . . . 64 ILE HA . 6493 1 748 . 1 1 64 64 ILE HB H 1 1.25 . . 1 . . . . 64 ILE HB . 6493 1 749 . 1 1 64 64 ILE HG12 H 1 1.11 . . 4 . . . . 64 ILE HG12 . 6493 1 750 . 1 1 64 64 ILE HG13 H 1 0.55 . . 4 . . . . 64 ILE HG13 . 6493 1 751 . 1 1 64 64 ILE HG21 H 1 -0.31 . . 4 . . . . 64 ILE HG2 . 6493 1 752 . 1 1 64 64 ILE HG22 H 1 -0.31 . . 4 . . . . 64 ILE HG2 . 6493 1 753 . 1 1 64 64 ILE HG23 H 1 -0.31 . . 4 . . . . 64 ILE HG2 . 6493 1 754 . 1 1 64 64 ILE HD11 H 1 0.13 . . 1 . . . . 64 ILE HD1 . 6493 1 755 . 1 1 64 64 ILE HD12 H 1 0.13 . . 1 . . . . 64 ILE HD1 . 6493 1 756 . 1 1 64 64 ILE HD13 H 1 0.13 . . 1 . . . . 64 ILE HD1 . 6493 1 757 . 1 1 64 64 ILE C C 13 175.25 . . 1 . . . . 64 ILE C . 6493 1 758 . 1 1 64 64 ILE CA C 13 62.65 . . 1 . . . . 64 ILE CA . 6493 1 759 . 1 1 64 64 ILE CB C 13 41.85 . . 1 . . . . 64 ILE CB . 6493 1 760 . 1 1 64 64 ILE CG1 C 13 27.9 . . 2 . . . . 64 ILE CG1 . 6493 1 761 . 1 1 64 64 ILE CG2 C 13 19.8 . . 2 . . . . 64 ILE CG2 . 6493 1 762 . 1 1 64 64 ILE CD1 C 13 15.75 . . 1 . . . . 64 ILE CD1 . 6493 1 763 . 1 1 64 64 ILE N N 15 120.95 . . 1 . . . . 64 ILE N . 6493 1 764 . 1 1 65 65 VAL H H 1 8.38 . . 1 . . . . 65 VAL H . 6493 1 765 . 1 1 65 65 VAL HA H 1 4.34 . . 1 . . . . 65 VAL HA . 6493 1 766 . 1 1 65 65 VAL HB H 1 1.83 . . 1 . . . . 65 VAL HB . 6493 1 767 . 1 1 65 65 VAL HG11 H 1 0.80 . . 1 . . . . 65 VAL HG1 . 6493 1 768 . 1 1 65 65 VAL HG12 H 1 0.80 . . 1 . . . . 65 VAL HG1 . 6493 1 769 . 1 1 65 65 VAL HG13 H 1 0.80 . . 1 . . . . 65 VAL HG1 . 6493 1 770 . 1 1 65 65 VAL HG21 H 1 0.80 . . 1 . . . . 65 VAL HG2 . 6493 1 771 . 1 1 65 65 VAL HG22 H 1 0.80 . . 1 . . . . 65 VAL HG2 . 6493 1 772 . 1 1 65 65 VAL HG23 H 1 0.80 . . 1 . . . . 65 VAL HG2 . 6493 1 773 . 1 1 65 65 VAL C C 13 177.15 . . 1 . . . . 65 VAL C . 6493 1 774 . 1 1 65 65 VAL CA C 13 63.45 . . 1 . . . . 65 VAL CA . 6493 1 775 . 1 1 65 65 VAL CB C 13 33.65 . . 1 . . . . 65 VAL CB . 6493 1 776 . 1 1 65 65 VAL CG1 C 13 23.5 . . 1 . . . . 65 VAL CG1 . 6493 1 777 . 1 1 65 65 VAL CG2 C 13 23.5 . . 1 . . . . 65 VAL CG2 . 6493 1 778 . 1 1 65 65 VAL N N 15 126.55 . . 1 . . . . 65 VAL N . 6493 1 779 . 1 1 66 66 PHE H H 1 9.10 . . 1 . . . . 66 PHE H . 6493 1 780 . 1 1 66 66 PHE HA H 1 4.63 . . 1 . . . . 66 PHE HA . 6493 1 781 . 1 1 66 66 PHE HB2 H 1 3.29 . . 2 . . . . 66 PHE HB2 . 6493 1 782 . 1 1 66 66 PHE HB3 H 1 3.05 . . 2 . . . . 66 PHE HB3 . 6493 1 783 . 1 1 66 66 PHE HD1 H 1 7.01 . . 1 . . . . 66 PHE HD1 . 6493 1 784 . 1 1 66 66 PHE HD2 H 1 7.01 . . 1 . . . . 66 PHE HD2 . 6493 1 785 . 1 1 66 66 PHE HE1 H 1 6.67 . . 1 . . . . 66 PHE HE1 . 6493 1 786 . 1 1 66 66 PHE HE2 H 1 6.67 . . 1 . . . . 66 PHE HE2 . 6493 1 787 . 1 1 66 66 PHE HZ H 1 5.98 . . 1 . . . . 66 PHE HZ . 6493 1 788 . 1 1 66 66 PHE C C 13 177.15 . . 1 . . . . 66 PHE C . 6493 1 789 . 1 1 66 66 PHE CA C 13 60.75 . . 1 . . . . 66 PHE CA . 6493 1 790 . 1 1 66 66 PHE CB C 13 43.65 . . 1 . . . . 66 PHE CB . 6493 1 791 . 1 1 66 66 PHE CD1 C 13 128.9 . . 1 . . . . 66 PHE CD1 . 6493 1 792 . 1 1 66 66 PHE CD2 C 13 128.9 . . 1 . . . . 66 PHE CD2 . 6493 1 793 . 1 1 66 66 PHE CE1 C 13 127.4 . . 1 . . . . 66 PHE CE1 . 6493 1 794 . 1 1 66 66 PHE CE2 C 13 127.4 . . 1 . . . . 66 PHE CE2 . 6493 1 795 . 1 1 66 66 PHE CZ C 13 125.8 . . 1 . . . . 66 PHE CZ . 6493 1 796 . 1 1 66 66 PHE N N 15 127.15 . . 1 . . . . 66 PHE N . 6493 1 797 . 1 1 67 67 ALA H H 1 8.38 . . 1 . . . . 67 ALA H . 6493 1 798 . 1 1 67 67 ALA HA H 1 3.99 . . 1 . . . . 67 ALA HA . 6493 1 799 . 1 1 67 67 ALA HB1 H 1 1.45 . . 1 . . . . 67 ALA HB . 6493 1 800 . 1 1 67 67 ALA HB2 H 1 1.45 . . 1 . . . . 67 ALA HB . 6493 1 801 . 1 1 67 67 ALA HB3 H 1 1.45 . . 1 . . . . 67 ALA HB . 6493 1 802 . 1 1 67 67 ALA C C 13 179.15 . . 1 . . . . 67 ALA C . 6493 1 803 . 1 1 67 67 ALA CA C 13 56.75 . . 1 . . . . 67 ALA CA . 6493 1 804 . 1 1 67 67 ALA CB C 13 20.75 . . 1 . . . . 67 ALA CB . 6493 1 805 . 1 1 67 67 ALA N N 15 120.45 . . 1 . . . . 67 ALA N . 6493 1 806 . 1 1 68 68 THR H H 1 7.73 . . 1 . . . . 68 THR H . 6493 1 807 . 1 1 68 68 THR HA H 1 4.78 . . 1 . . . . 68 THR HA . 6493 1 808 . 1 1 68 68 THR HB H 1 4.62 . . 1 . . . . 68 THR HB . 6493 1 809 . 1 1 68 68 THR HG21 H 1 1.17 . . 1 . . . . 68 THR HG2 . 6493 1 810 . 1 1 68 68 THR HG22 H 1 1.17 . . 1 . . . . 68 THR HG2 . 6493 1 811 . 1 1 68 68 THR HG23 H 1 1.17 . . 1 . . . . 68 THR HG2 . 6493 1 812 . 1 1 68 68 THR C C 13 175.65 . . 1 . . . . 68 THR C . 6493 1 813 . 1 1 68 68 THR CA C 13 60.35 . . 1 . . . . 68 THR CA . 6493 1 814 . 1 1 68 68 THR CB C 13 74.75 . . 1 . . . . 68 THR CB . 6493 1 815 . 1 1 68 68 THR CG2 C 13 23.75 . . 1 . . . . 68 THR CG2 . 6493 1 816 . 1 1 68 68 THR N N 15 103.05 . . 1 . . . . 68 THR N . 6493 1 817 . 1 1 69 69 GLN H H 1 9.08 . . 1 . . . . 69 GLN H . 6493 1 818 . 1 1 69 69 GLN HA H 1 3.83 . . 1 . . . . 69 GLN HA . 6493 1 819 . 1 1 69 69 GLN HB2 H 1 1.96 . . 2 . . . . 69 GLN HB2 . 6493 1 820 . 1 1 69 69 GLN HB3 H 1 1.82 . . 2 . . . . 69 GLN HB3 . 6493 1 821 . 1 1 69 69 GLN HG2 H 1 2.13 . . 1 . . . . 69 GLN HG2 . 6493 1 822 . 1 1 69 69 GLN HG3 H 1 2.13 . . 1 . . . . 69 GLN HG3 . 6493 1 823 . 1 1 69 69 GLN HE21 H 1 7.52 . . 2 . . . . 69 GLN HE21 . 6493 1 824 . 1 1 69 69 GLN HE22 H 1 6.69 . . 2 . . . . 69 GLN HE22 . 6493 1 825 . 1 1 69 69 GLN C C 13 179.05 . . 1 . . . . 69 GLN C . 6493 1 826 . 1 1 69 69 GLN CA C 13 66.65 . . 1 . . . . 69 GLN CA . 6493 1 827 . 1 1 69 69 GLN CB C 13 30.55 . . 1 . . . . 69 GLN CB . 6493 1 828 . 1 1 69 69 GLN CG C 13 35.75 . . 1 . . . . 69 GLN CG . 6493 1 829 . 1 1 69 69 GLN N N 15 122.65 . . 1 . . . . 69 GLN N . 6493 1 830 . 1 1 69 69 GLN NE2 N 15 110.90 . . 1 . . . . 69 GLN NE2 . 6493 1 831 . 1 1 70 70 GLU H H 1 9.03 . . 1 . . . . 70 GLU H . 6493 1 832 . 1 1 70 70 GLU HA H 1 3.92 . . 1 . . . . 70 GLU HA . 6493 1 833 . 1 1 70 70 GLU HB2 H 1 2.01 . . 2 . . . . 70 GLU HB2 . 6493 1 834 . 1 1 70 70 GLU HB3 H 1 1.85 . . 2 . . . . 70 GLU HB3 . 6493 1 835 . 1 1 70 70 GLU HG2 H 1 2.37 . . 2 . . . . 70 GLU HG2 . 6493 1 836 . 1 1 70 70 GLU HG3 H 1 2.20 . . 2 . . . . 70 GLU HG3 . 6493 1 837 . 1 1 70 70 GLU C C 13 181.35 . . 1 . . . . 70 GLU C . 6493 1 838 . 1 1 70 70 GLU CA C 13 63.05 . . 1 . . . . 70 GLU CA . 6493 1 839 . 1 1 70 70 GLU CB C 13 30.75 . . 1 . . . . 70 GLU CB . 6493 1 840 . 1 1 70 70 GLU CG C 13 39.05 . . 1 . . . . 70 GLU CG . 6493 1 841 . 1 1 70 70 GLU N N 15 119.85 . . 1 . . . . 70 GLU N . 6493 1 842 . 1 1 71 71 SER H H 1 7.89 . . 1 . . . . 71 SER H . 6493 1 843 . 1 1 71 71 SER HA H 1 4.03 . . 1 . . . . 71 SER HA . 6493 1 844 . 1 1 71 71 SER HB2 H 1 3.78 . . 2 . . . . 71 SER HB2 . 6493 1 845 . 1 1 71 71 SER HB3 H 1 3.45 . . 2 . . . . 71 SER HB3 . 6493 1 846 . 1 1 71 71 SER C C 13 178.85 . . 1 . . . . 71 SER C . 6493 1 847 . 1 1 71 71 SER CA C 13 64.35 . . 1 . . . . 71 SER CA . 6493 1 848 . 1 1 71 71 SER CB C 13 64.85 . . 1 . . . . 71 SER CB . 6493 1 849 . 1 1 71 71 SER N N 15 117.65 . . 1 . . . . 71 SER N . 6493 1 850 . 1 1 72 72 ALA H H 1 6.79 . . 1 . . . . 72 ALA H . 6493 1 851 . 1 1 72 72 ALA HA H 1 2.82 . . 1 . . . . 72 ALA HA . 6493 1 852 . 1 1 72 72 ALA HB1 H 1 1.44 . . 1 . . . . 72 ALA HB . 6493 1 853 . 1 1 72 72 ALA HB2 H 1 1.44 . . 1 . . . . 72 ALA HB . 6493 1 854 . 1 1 72 72 ALA HB3 H 1 1.44 . . 1 . . . . 72 ALA HB . 6493 1 855 . 1 1 72 72 ALA C C 13 180.35 . . 1 . . . . 72 ALA C . 6493 1 856 . 1 1 72 72 ALA CA C 13 57.05 . . 1 . . . . 72 ALA CA . 6493 1 857 . 1 1 72 72 ALA CB C 13 20.75 . . 1 . . . . 72 ALA CB . 6493 1 858 . 1 1 72 72 ALA N N 15 124.45 . . 1 . . . . 72 ALA N . 6493 1 859 . 1 1 73 73 GLN H H 1 8.37 . . 1 . . . . 73 GLN H . 6493 1 860 . 1 1 73 73 GLN HA H 1 3.97 . . 1 . . . . 73 GLN HA . 6493 1 861 . 1 1 73 73 GLN HB2 H 1 2.16 . . 2 . . . . 73 GLN HB2 . 6493 1 862 . 1 1 73 73 GLN HB3 H 1 2.06 . . 2 . . . . 73 GLN HB3 . 6493 1 863 . 1 1 73 73 GLN HG2 H 1 2.35 . . 1 . . . . 73 GLN HG2 . 6493 1 864 . 1 1 73 73 GLN HG3 H 1 2.35 . . 1 . . . . 73 GLN HG3 . 6493 1 865 . 1 1 73 73 GLN HE21 H 1 7.52 . . 2 . . . . 73 GLN HE21 . 6493 1 866 . 1 1 73 73 GLN HE22 H 1 6.69 . . 2 . . . . 73 GLN HE22 . 6493 1 867 . 1 1 73 73 GLN C C 13 179.45 . . 1 . . . . 73 GLN C . 6493 1 868 . 1 1 73 73 GLN CA C 13 61.25 . . 1 . . . . 73 GLN CA . 6493 1 869 . 1 1 73 73 GLN CB C 13 30.65 . . 1 . . . . 73 GLN CB . 6493 1 870 . 1 1 73 73 GLN CG C 13 35.95 . . 1 . . . . 73 GLN CG . 6493 1 871 . 1 1 73 73 GLN N N 15 116.15 . . 1 . . . . 73 GLN N . 6493 1 872 . 1 1 73 73 GLN NE2 N 15 110.9 . . 1 . . . . 73 GLN NE2 . 6493 1 873 . 1 1 74 74 ALA H H 1 7.75 . . 1 . . . . 74 ALA H . 6493 1 874 . 1 1 74 74 ALA HA H 1 4.00 . . 1 . . . . 74 ALA HA . 6493 1 875 . 1 1 74 74 ALA HB1 H 1 1.47 . . 1 . . . . 74 ALA HB . 6493 1 876 . 1 1 74 74 ALA HB2 H 1 1.47 . . 1 . . . . 74 ALA HB . 6493 1 877 . 1 1 74 74 ALA HB3 H 1 1.47 . . 1 . . . . 74 ALA HB . 6493 1 878 . 1 1 74 74 ALA C C 13 181.55 . . 1 . . . . 74 ALA C . 6493 1 879 . 1 1 74 74 ALA CA C 13 57.05 . . 1 . . . . 74 ALA CA . 6493 1 880 . 1 1 74 74 ALA CB C 13 20.15 . . 1 . . . . 74 ALA CB . 6493 1 881 . 1 1 74 74 ALA N N 15 121.95 . . 1 . . . . 74 ALA N . 6493 1 882 . 1 1 75 75 PHE H H 1 8.05 . . 1 . . . . 75 PHE H . 6493 1 883 . 1 1 75 75 PHE HA H 1 3.99 . . 1 . . . . 75 PHE HA . 6493 1 884 . 1 1 75 75 PHE HB2 H 1 3.05 . . 2 . . . . 75 PHE HB2 . 6493 1 885 . 1 1 75 75 PHE HB3 H 1 2.75 . . 2 . . . . 75 PHE HB3 . 6493 1 886 . 1 1 75 75 PHE HD1 H 1 7.03 . . 1 . . . . 75 PHE HD1 . 6493 1 887 . 1 1 75 75 PHE HD2 H 1 7.03 . . 1 . . . . 75 PHE HD2 . 6493 1 888 . 1 1 75 75 PHE HE1 H 1 6.56 . . 1 . . . . 75 PHE HE1 . 6493 1 889 . 1 1 75 75 PHE HE2 H 1 6.56 . . 1 . . . . 75 PHE HE2 . 6493 1 890 . 1 1 75 75 PHE HZ H 1 6.48 . . 1 . . . . 75 PHE HZ . 6493 1 891 . 1 1 75 75 PHE C C 13 177.25 . . 1 . . . . 75 PHE C . 6493 1 892 . 1 1 75 75 PHE CA C 13 64.25 . . 1 . . . . 75 PHE CA . 6493 1 893 . 1 1 75 75 PHE CB C 13 41.95 . . 1 . . . . 75 PHE CB . 6493 1 894 . 1 1 75 75 PHE CD1 C 13 128.9 . . 1 . . . . 75 PHE CD1 . 6493 1 895 . 1 1 75 75 PHE CD2 C 13 128.9 . . 1 . . . . 75 PHE CD2 . 6493 1 896 . 1 1 75 75 PHE CE1 C 13 128.1 . . 1 . . . . 75 PHE CE1 . 6493 1 897 . 1 1 75 75 PHE CE2 C 13 128.1 . . 1 . . . . 75 PHE CE2 . 6493 1 898 . 1 1 75 75 PHE CZ C 13 125.1 . . 1 . . . . 75 PHE CZ . 6493 1 899 . 1 1 75 75 PHE N N 15 119.45 . . 1 . . . . 75 PHE N . 6493 1 900 . 1 1 76 76 VAL H H 1 8.03 . . 1 . . . . 76 VAL H . 6493 1 901 . 1 1 76 76 VAL HA H 1 3.01 . . 1 . . . . 76 VAL HA . 6493 1 902 . 1 1 76 76 VAL HB H 1 1.92 . . 1 . . . . 76 VAL HB . 6493 1 903 . 1 1 76 76 VAL HG11 H 1 0.51 . . 2 . . . . 76 VAL HG1 . 6493 1 904 . 1 1 76 76 VAL HG12 H 1 0.51 . . 2 . . . . 76 VAL HG1 . 6493 1 905 . 1 1 76 76 VAL HG13 H 1 0.51 . . 2 . . . . 76 VAL HG1 . 6493 1 906 . 1 1 76 76 VAL HG21 H 1 0.55 . . 2 . . . . 76 VAL HG2 . 6493 1 907 . 1 1 76 76 VAL HG22 H 1 0.55 . . 2 . . . . 76 VAL HG2 . 6493 1 908 . 1 1 76 76 VAL HG23 H 1 0.55 . . 2 . . . . 76 VAL HG2 . 6493 1 909 . 1 1 76 76 VAL C C 13 178.75 . . 1 . . . . 76 VAL C . 6493 1 910 . 1 1 76 76 VAL CA C 13 69.25 . . 1 . . . . 76 VAL CA . 6493 1 911 . 1 1 76 76 VAL CB C 13 33.55 . . 1 . . . . 76 VAL CB . 6493 1 912 . 1 1 76 76 VAL CG1 C 13 25.5 . . 2 . . . . 76 VAL CG1 . 6493 1 913 . 1 1 76 76 VAL CG2 C 13 23.4 . . 2 . . . . 76 VAL CG2 . 6493 1 914 . 1 1 76 76 VAL N N 15 119.45 . . 1 . . . . 76 VAL N . 6493 1 915 . 1 1 77 77 GLU H H 1 7.66 . . 1 . . . . 77 GLU H . 6493 1 916 . 1 1 77 77 GLU HA H 1 3.82 . . 1 . . . . 77 GLU HA . 6493 1 917 . 1 1 77 77 GLU HB2 H 1 1.88 . . 1 . . . . 77 GLU HB2 . 6493 1 918 . 1 1 77 77 GLU HB3 H 1 1.88 . . 1 . . . . 77 GLU HB3 . 6493 1 919 . 1 1 77 77 GLU HG2 H 1 2.29 . . 2 . . . . 77 GLU HG2 . 6493 1 920 . 1 1 77 77 GLU HG3 H 1 2.14 . . 2 . . . . 77 GLU HG3 . 6493 1 921 . 1 1 77 77 GLU C C 13 180.05 . . 1 . . . . 77 GLU C . 6493 1 922 . 1 1 77 77 GLU CA C 13 60.85 . . 1 . . . . 77 GLU CA . 6493 1 923 . 1 1 77 77 GLU CB C 13 31.75 . . 1 . . . . 77 GLU CB . 6493 1 924 . 1 1 77 77 GLU CG C 13 38.55 . . 1 . . . . 77 GLU CG . 6493 1 925 . 1 1 77 77 GLU N N 15 115.45 . . 1 . . . . 77 GLU N . 6493 1 926 . 1 1 78 78 ALA H H 1 7.75 . . 1 . . . . 78 ALA H . 6493 1 927 . 1 1 78 78 ALA HA H 1 3.84 . . 1 . . . . 78 ALA HA . 6493 1 928 . 1 1 78 78 ALA HB1 H 1 0.71 . . 1 . . . . 78 ALA HB . 6493 1 929 . 1 1 78 78 ALA HB2 H 1 0.71 . . 1 . . . . 78 ALA HB . 6493 1 930 . 1 1 78 78 ALA HB3 H 1 0.71 . . 1 . . . . 78 ALA HB . 6493 1 931 . 1 1 78 78 ALA C C 13 181.35 . . 1 . . . . 78 ALA C . 6493 1 932 . 1 1 78 78 ALA CA C 13 55.85 . . 1 . . . . 78 ALA CA . 6493 1 933 . 1 1 78 78 ALA CB C 13 20.85 . . 1 . . . . 78 ALA CB . 6493 1 934 . 1 1 78 78 ALA N N 15 118.57 . . 1 . . . . 78 ALA N . 6493 1 935 . 1 1 79 79 PHE H H 1 7.64 . . 1 . . . . 79 PHE H . 6493 1 936 . 1 1 79 79 PHE HA H 1 4.39 . . 1 . . . . 79 PHE HA . 6493 1 937 . 1 1 79 79 PHE HB2 H 1 2.66 . . 2 . . . . 79 PHE HB2 . 6493 1 938 . 1 1 79 79 PHE HB3 H 1 1.50 . . 2 . . . . 79 PHE HB3 . 6493 1 939 . 1 1 79 79 PHE HD1 H 1 6.38 . . 1 . . . . 79 PHE HD1 . 6493 1 940 . 1 1 79 79 PHE HD2 H 1 6.38 . . 1 . . . . 79 PHE HD2 . 6493 1 941 . 1 1 79 79 PHE HE1 H 1 6.71 . . 1 . . . . 79 PHE HE1 . 6493 1 942 . 1 1 79 79 PHE HE2 H 1 6.71 . . 1 . . . . 79 PHE HE2 . 6493 1 943 . 1 1 79 79 PHE HZ H 1 7.00 . . 1 . . . . 79 PHE HZ . 6493 1 944 . 1 1 79 79 PHE C C 13 176.35 . . 1 . . . . 79 PHE C . 6493 1 945 . 1 1 79 79 PHE CA C 13 60.55 . . 1 . . . . 79 PHE CA . 6493 1 946 . 1 1 79 79 PHE CB C 13 40.45 . . 1 . . . . 79 PHE CB . 6493 1 947 . 1 1 79 79 PHE CD1 C 13 128.9 . . 1 . . . . 79 PHE CD1 . 6493 1 948 . 1 1 79 79 PHE CD2 C 13 128.9 . . 1 . . . . 79 PHE CD2 . 6493 1 949 . 1 1 79 79 PHE CE1 C 13 127.4 . . 1 . . . . 79 PHE CE1 . 6493 1 950 . 1 1 79 79 PHE CE2 C 13 127.4 . . 1 . . . . 79 PHE CE2 . 6493 1 951 . 1 1 79 79 PHE CZ C 13 126.2 . . 1 . . . . 79 PHE CZ . 6493 1 952 . 1 1 79 79 PHE N N 15 111.82 . . 1 . . . . 79 PHE N . 6493 1 953 . 1 1 80 80 GLN H H 1 7.24 . . 1 . . . . 80 GLN H . 6493 1 954 . 1 1 80 80 GLN HA H 1 3.85 . . 1 . . . . 80 GLN HA . 6493 1 955 . 1 1 80 80 GLN HB2 H 1 2.31 . . 2 . . . . 80 GLN HB2 . 6493 1 956 . 1 1 80 80 GLN HB3 H 1 2.00 . . 2 . . . . 80 GLN HB3 . 6493 1 957 . 1 1 80 80 GLN HG2 H 1 2.46 . . 2 . . . . 80 GLN HG2 . 6493 1 958 . 1 1 80 80 GLN HG3 H 1 1.87 . . 2 . . . . 80 GLN HG3 . 6493 1 959 . 1 1 80 80 GLN HE21 H 1 7.78 . . 2 . . . . 80 GLN HE21 . 6493 1 960 . 1 1 80 80 GLN HE22 H 1 7.44 . . 2 . . . . 80 GLN HE22 . 6493 1 961 . 1 1 80 80 GLN C C 13 179.55 . . 1 . . . . 80 GLN C . 6493 1 962 . 1 1 80 80 GLN CA C 13 60.05 . . 1 . . . . 80 GLN CA . 6493 1 963 . 1 1 80 80 GLN CB C 13 31.95 . . 1 . . . . 80 GLN CB . 6493 1 964 . 1 1 80 80 GLN CG C 13 36.05 . . 1 . . . . 80 GLN CG . 6493 1 965 . 1 1 80 80 GLN N N 15 122.41 . . 1 . . . . 80 GLN N . 6493 1 966 . 1 1 80 80 GLN NE2 N 15 109.9 . . 1 . . . . 80 GLN NE2 . 6493 1 967 . 1 1 81 81 GLY H H 1 8.58 . . 1 . . . . 81 GLY H . 6493 1 968 . 1 1 81 81 GLY HA2 H 1 4.07 . . 2 . . . . 81 GLY HA2 . 6493 1 969 . 1 1 81 81 GLY HA3 H 1 3.74 . . 2 . . . . 81 GLY HA3 . 6493 1 970 . 1 1 81 81 GLY C C 13 174.45 . . 1 . . . . 81 GLY C . 6493 1 971 . 1 1 81 81 GLY CA C 13 48.45 . . 1 . . . . 81 GLY CA . 6493 1 972 . 1 1 81 81 GLY N N 15 119.7 . . 1 . . . . 81 GLY N . 6493 1 973 . 1 1 82 82 TYR H H 1 8.22 . . 1 . . . . 82 TYR H . 6493 1 974 . 1 1 82 82 TYR HA H 1 4.50 . . 1 . . . . 82 TYR HA . 6493 1 975 . 1 1 82 82 TYR HB2 H 1 3.25 . . 2 . . . . 82 TYR HB2 . 6493 1 976 . 1 1 82 82 TYR HB3 H 1 3.01 . . 2 . . . . 82 TYR HB3 . 6493 1 977 . 1 1 82 82 TYR HD1 H 1 7.05 . . 1 . . . . 82 TYR HD1 . 6493 1 978 . 1 1 82 82 TYR HD2 H 1 7.05 . . 1 . . . . 82 TYR HD2 . 6493 1 979 . 1 1 82 82 TYR HE1 H 1 6.83 . . 1 . . . . 82 TYR HE1 . 6493 1 980 . 1 1 82 82 TYR HE2 H 1 6.83 . . 1 . . . . 82 TYR HE2 . 6493 1 981 . 1 1 82 82 TYR CA C 13 58.65 . . 1 . . . . 82 TYR CA . 6493 1 982 . 1 1 82 82 TYR CB C 13 42.45 . . 1 . . . . 82 TYR CB . 6493 1 983 . 1 1 82 82 TYR CD1 C 13 130.2 . . 1 . . . . 82 TYR CD1 . 6493 1 984 . 1 1 82 82 TYR CD2 C 13 130.2 . . 1 . . . . 82 TYR CD2 . 6493 1 985 . 1 1 82 82 TYR CE1 C 13 115.6 . . 1 . . . . 82 TYR CE1 . 6493 1 986 . 1 1 82 82 TYR CE2 C 13 115.6 . . 1 . . . . 82 TYR CE2 . 6493 1 987 . 1 1 82 82 TYR N N 15 124.82 . . 1 . . . . 82 TYR N . 6493 1 988 . 1 1 83 83 PRO HA H 1 3.98 . . 1 . . . . 83 PRO HA . 6493 1 989 . 1 1 83 83 PRO HB2 H 1 1.71 . . 2 . . . . 83 PRO HB2 . 6493 1 990 . 1 1 83 83 PRO HB3 H 1 1.67 . . 2 . . . . 83 PRO HB3 . 6493 1 991 . 1 1 83 83 PRO HG2 H 1 1.72 . . 2 . . . . 83 PRO HG2 . 6493 1 992 . 1 1 83 83 PRO HG3 H 1 1.65 . . 2 . . . . 83 PRO HG3 . 6493 1 993 . 1 1 83 83 PRO HD2 H 1 3.66 . . 2 . . . . 83 PRO HD2 . 6493 1 994 . 1 1 83 83 PRO HD3 H 1 2.66 . . 2 . . . . 83 PRO HD3 . 6493 1 995 . 1 1 83 83 PRO CA C 13 64.75 . . 1 . . . . 83 PRO CA . 6493 1 996 . 1 1 83 83 PRO CB C 13 32.15 . . 1 . . . . 83 PRO CB . 6493 1 997 . 1 1 83 83 PRO CG C 13 29.55 . . 1 . . . . 83 PRO CG . 6493 1 998 . 1 1 83 83 PRO CD C 13 52.45 . . 1 . . . . 83 PRO CD . 6493 1 999 . 1 1 84 84 PHE H H 1 8.41 . . 1 . . . . 84 PHE H . 6493 1 1000 . 1 1 84 84 PHE HA H 1 4.68 . . 1 . . . . 84 PHE HA . 6493 1 1001 . 1 1 84 84 PHE HB2 H 1 3.16 . . 2 . . . . 84 PHE HB2 . 6493 1 1002 . 1 1 84 84 PHE HB3 H 1 2.87 . . 2 . . . . 84 PHE HB3 . 6493 1 1003 . 1 1 84 84 PHE HD1 H 1 7.40 . . 1 . . . . 84 PHE HD1 . 6493 1 1004 . 1 1 84 84 PHE HD2 H 1 7.40 . . 1 . . . . 84 PHE HD2 . 6493 1 1005 . 1 1 84 84 PHE HE1 H 1 7.09 . . 1 . . . . 84 PHE HE1 . 6493 1 1006 . 1 1 84 84 PHE HE2 H 1 7.09 . . 1 . . . . 84 PHE HE2 . 6493 1 1007 . 1 1 84 84 PHE HZ H 1 7.02 . . 1 . . . . 84 PHE HZ . 6493 1 1008 . 1 1 84 84 PHE C C 13 175.45 . . 1 . . . . 84 PHE C . 6493 1 1009 . 1 1 84 84 PHE CA C 13 60.55 . . 1 . . . . 84 PHE CA . 6493 1 1010 . 1 1 84 84 PHE CB C 13 43.25 . . 1 . . . . 84 PHE CB . 6493 1 1011 . 1 1 84 84 PHE CD1 C 13 129.3 . . 1 . . . . 84 PHE CD1 . 6493 1 1012 . 1 1 84 84 PHE CD2 C 13 129.3 . . 1 . . . . 84 PHE CD2 . 6493 1 1013 . 1 1 84 84 PHE CE1 C 13 128.4 . . 1 . . . . 84 PHE CE1 . 6493 1 1014 . 1 1 84 84 PHE CE2 C 13 128.4 . . 1 . . . . 84 PHE CE2 . 6493 1 1015 . 1 1 84 84 PHE CZ C 13 126.2 . . 1 . . . . 84 PHE CZ . 6493 1 1016 . 1 1 84 84 PHE N N 15 128.56 . . 1 . . . . 84 PHE N . 6493 1 1017 . 1 1 85 85 GLN H H 1 9.06 . . 1 . . . . 85 GLN H . 6493 1 1018 . 1 1 85 85 GLN HA H 1 3.39 . . 1 . . . . 85 GLN HA . 6493 1 1019 . 1 1 85 85 GLN HB2 H 1 1.96 . . 2 . . . . 85 GLN HB2 . 6493 1 1020 . 1 1 85 85 GLN HB3 H 1 1.50 . . 2 . . . . 85 GLN HB3 . 6493 1 1021 . 1 1 85 85 GLN HG2 H 1 1.36 . . 2 . . . . 85 GLN HG2 . 6493 1 1022 . 1 1 85 85 GLN HG3 H 1 0.88 . . 2 . . . . 85 GLN HG3 . 6493 1 1023 . 1 1 85 85 GLN HE21 H 1 6.71 . . 2 . . . . 85 GLN HE21 . 6493 1 1024 . 1 1 85 85 GLN HE22 H 1 6.57 . . 2 . . . . 85 GLN HE22 . 6493 1 1025 . 1 1 85 85 GLN C C 13 176.85 . . 1 . . . . 85 GLN C . 6493 1 1026 . 1 1 85 85 GLN CA C 13 57.75 . . 1 . . . . 85 GLN CA . 6493 1 1027 . 1 1 85 85 GLN CB C 13 28.35 . . 1 . . . . 85 GLN CB . 6493 1 1028 . 1 1 85 85 GLN CG C 13 34.95 . . 1 . . . . 85 GLN CG . 6493 1 1029 . 1 1 85 85 GLN N N 15 124.88 . . 1 . . . . 85 GLN N . 6493 1 1030 . 1 1 86 86 GLY H H 1 8.04 . . 1 . . . . 86 GLY H . 6493 1 1031 . 1 1 86 86 GLY HA2 H 1 4.19 . . 2 . . . . 86 GLY HA2 . 6493 1 1032 . 1 1 86 86 GLY HA3 H 1 3.34 . . 2 . . . . 86 GLY HA3 . 6493 1 1033 . 1 1 86 86 GLY C C 13 175.25 . . 1 . . . . 86 GLY C . 6493 1 1034 . 1 1 86 86 GLY CA C 13 46.95 . . 1 . . . . 86 GLY CA . 6493 1 1035 . 1 1 86 86 GLY N N 15 102.81 . . 1 . . . . 86 GLY N . 6493 1 1036 . 1 1 87 87 ASN H H 1 7.50 . . 1 . . . . 87 ASN H . 6493 1 1037 . 1 1 87 87 ASN HA H 1 5.31 . . 1 . . . . 87 ASN HA . 6493 1 1038 . 1 1 87 87 ASN HB2 H 1 2.85 . . 2 . . . . 87 ASN HB2 . 6493 1 1039 . 1 1 87 87 ASN HB3 H 1 2.68 . . 2 . . . . 87 ASN HB3 . 6493 1 1040 . 1 1 87 87 ASN HD21 H 1 7.00 . . 2 . . . . 87 ASN HD21 . 6493 1 1041 . 1 1 87 87 ASN HD22 H 1 6.97 . . 2 . . . . 87 ASN HD22 . 6493 1 1042 . 1 1 87 87 ASN CA C 13 52.25 . . 1 . . . . 87 ASN CA . 6493 1 1043 . 1 1 87 87 ASN CB C 13 43.05 . . 1 . . . . 87 ASN CB . 6493 1 1044 . 1 1 87 87 ASN N N 15 118.70 . . 1 . . . . 87 ASN N . 6493 1 1045 . 1 1 88 88 PRO HA H 1 4.28 . . 1 . . . . 88 PRO HA . 6493 1 1046 . 1 1 88 88 PRO HB2 H 1 2.00 . . 2 . . . . 88 PRO HB2 . 6493 1 1047 . 1 1 88 88 PRO HB3 H 1 1.75 . . 2 . . . . 88 PRO HB3 . 6493 1 1048 . 1 1 88 88 PRO HG2 H 1 2.00 . . 2 . . . . 88 PRO HG2 . 6493 1 1049 . 1 1 88 88 PRO HG3 H 1 1.81 . . 2 . . . . 88 PRO HG3 . 6493 1 1050 . 1 1 88 88 PRO HD2 H 1 3.72 . . 2 . . . . 88 PRO HD2 . 6493 1 1051 . 1 1 88 88 PRO HD3 H 1 3.58 . . 2 . . . . 88 PRO HD3 . 6493 1 1052 . 1 1 88 88 PRO C C 13 178.55 . . 1 . . . . 88 PRO C . 6493 1 1053 . 1 1 88 88 PRO CA C 13 63.85 . . 1 . . . . 88 PRO CA . 6493 1 1054 . 1 1 88 88 PRO CB C 13 33.55 . . 1 . . . . 88 PRO CB . 6493 1 1055 . 1 1 88 88 PRO CG C 13 29.55 . . 1 . . . . 88 PRO CG . 6493 1 1056 . 1 1 88 88 PRO CD C 13 53.05 . . 1 . . . . 88 PRO CD . 6493 1 1057 . 1 1 89 89 LEU H H 1 8.64 . . 1 . . . . 89 LEU H . 6493 1 1058 . 1 1 89 89 LEU HA H 1 4.21 . . 1 . . . . 89 LEU HA . 6493 1 1059 . 1 1 89 89 LEU HB2 H 1 2.14 . . 2 . . . . 89 LEU HB2 . 6493 1 1060 . 1 1 89 89 LEU HB3 H 1 1.06 . . 2 . . . . 89 LEU HB3 . 6493 1 1061 . 1 1 89 89 LEU HG H 1 2.31 . . 1 . . . . 89 LEU HG . 6493 1 1062 . 1 1 89 89 LEU HD11 H 1 0.69 . . 1 . . . . 89 LEU HD1 . 6493 1 1063 . 1 1 89 89 LEU HD12 H 1 0.69 . . 1 . . . . 89 LEU HD1 . 6493 1 1064 . 1 1 89 89 LEU HD13 H 1 0.69 . . 1 . . . . 89 LEU HD1 . 6493 1 1065 . 1 1 89 89 LEU HD21 H 1 0.69 . . 1 . . . . 89 LEU HD2 . 6493 1 1066 . 1 1 89 89 LEU HD22 H 1 0.69 . . 1 . . . . 89 LEU HD2 . 6493 1 1067 . 1 1 89 89 LEU HD23 H 1 0.69 . . 1 . . . . 89 LEU HD2 . 6493 1 1068 . 1 1 89 89 LEU C C 13 178.45 . . 1 . . . . 89 LEU C . 6493 1 1069 . 1 1 89 89 LEU CA C 13 58.25 . . 1 . . . . 89 LEU CA . 6493 1 1070 . 1 1 89 89 LEU CB C 13 45.05 . . 1 . . . . 89 LEU CB . 6493 1 1071 . 1 1 89 89 LEU CG C 13 27.85 . . 1 . . . . 89 LEU CG . 6493 1 1072 . 1 1 89 89 LEU CD1 C 13 25.25 . . 1 . . . . 89 LEU CD1 . 6493 1 1073 . 1 1 89 89 LEU CD2 C 13 25.25 . . 1 . . . . 89 LEU CD2 . 6493 1 1074 . 1 1 89 89 LEU N N 15 124.85 . . 1 . . . . 89 LEU N . 6493 1 1075 . 1 1 90 90 VAL H H 1 7.33 . . 1 . . . . 90 VAL H . 6493 1 1076 . 1 1 90 90 VAL HA H 1 4.23 . . 1 . . . . 90 VAL HA . 6493 1 1077 . 1 1 90 90 VAL HB H 1 1.92 . . 1 . . . . 90 VAL HB . 6493 1 1078 . 1 1 90 90 VAL HG11 H 1 0.80 . . 2 . . . . 90 VAL HG1 . 6493 1 1079 . 1 1 90 90 VAL HG12 H 1 0.80 . . 2 . . . . 90 VAL HG1 . 6493 1 1080 . 1 1 90 90 VAL HG13 H 1 0.80 . . 2 . . . . 90 VAL HG1 . 6493 1 1081 . 1 1 90 90 VAL HG21 H 1 0.69 . . 2 . . . . 90 VAL HG2 . 6493 1 1082 . 1 1 90 90 VAL HG22 H 1 0.69 . . 2 . . . . 90 VAL HG2 . 6493 1 1083 . 1 1 90 90 VAL HG23 H 1 0.69 . . 2 . . . . 90 VAL HG2 . 6493 1 1084 . 1 1 90 90 VAL C C 13 176.75 . . 1 . . . . 90 VAL C . 6493 1 1085 . 1 1 90 90 VAL CA C 13 64.25 . . 1 . . . . 90 VAL CA . 6493 1 1086 . 1 1 90 90 VAL CB C 13 33.85 . . 1 . . . . 90 VAL CB . 6493 1 1087 . 1 1 90 90 VAL CG1 C 13 23.0 . . 1 . . . . 90 VAL CG1 . 6493 1 1088 . 1 1 90 90 VAL CG2 C 13 23.0 . . 1 . . . . 90 VAL CG2 . 6493 1 1089 . 1 1 90 90 VAL N N 15 124.05 . . 1 . . . . 90 VAL N . 6493 1 1090 . 1 1 91 91 ILE H H 1 9.24 . . 1 . . . . 91 ILE H . 6493 1 1091 . 1 1 91 91 ILE HA H 1 5.11 . . 1 . . . . 91 ILE HA . 6493 1 1092 . 1 1 91 91 ILE HB H 1 1.42 . . 1 . . . . 91 ILE HB . 6493 1 1093 . 1 1 91 91 ILE HG12 H 1 1.42 . . 4 . . . . 91 ILE HG12 . 6493 1 1094 . 1 1 91 91 ILE HG13 H 1 0.70 . . 4 . . . . 91 ILE HG13 . 6493 1 1095 . 1 1 91 91 ILE HG21 H 1 0.79 . . 4 . . . . 91 ILE HG2 . 6493 1 1096 . 1 1 91 91 ILE HG22 H 1 0.79 . . 4 . . . . 91 ILE HG2 . 6493 1 1097 . 1 1 91 91 ILE HG23 H 1 0.79 . . 4 . . . . 91 ILE HG2 . 6493 1 1098 . 1 1 91 91 ILE HD11 H 1 0.41 . . 1 . . . . 91 ILE HD1 . 6493 1 1099 . 1 1 91 91 ILE HD12 H 1 0.41 . . 1 . . . . 91 ILE HD1 . 6493 1 1100 . 1 1 91 91 ILE HD13 H 1 0.41 . . 1 . . . . 91 ILE HD1 . 6493 1 1101 . 1 1 91 91 ILE C C 13 177.35 . . 1 . . . . 91 ILE C . 6493 1 1102 . 1 1 91 91 ILE CA C 13 62.45 . . 1 . . . . 91 ILE CA . 6493 1 1103 . 1 1 91 91 ILE CB C 13 42.45 . . 1 . . . . 91 ILE CB . 6493 1 1104 . 1 1 91 91 ILE CG1 C 13 29.4 . . 2 . . . . 91 ILE CG1 . 6493 1 1105 . 1 1 91 91 ILE CG2 C 13 23.2 . . 2 . . . . 91 ILE CG2 . 6493 1 1106 . 1 1 91 91 ILE CD1 C 13 16.35 . . 1 . . . . 91 ILE CD1 . 6493 1 1107 . 1 1 91 91 ILE N N 15 127.55 . . 1 . . . . 91 ILE N . 6493 1 1108 . 1 1 92 92 THR H H 1 9.07 . . 1 . . . . 92 THR H . 6493 1 1109 . 1 1 92 92 THR HA H 1 4.47 . . 1 . . . . 92 THR HA . 6493 1 1110 . 1 1 92 92 THR HB H 1 4.14 . . 1 . . . . 92 THR HB . 6493 1 1111 . 1 1 92 92 THR HG21 H 1 1.09 . . 1 . . . . 92 THR HG2 . 6493 1 1112 . 1 1 92 92 THR HG22 H 1 1.09 . . 1 . . . . 92 THR HG2 . 6493 1 1113 . 1 1 92 92 THR HG23 H 1 1.09 . . 1 . . . . 92 THR HG2 . 6493 1 1114 . 1 1 92 92 THR C C 13 174.55 . . 1 . . . . 92 THR C . 6493 1 1115 . 1 1 92 92 THR CA C 13 61.45 . . 1 . . . . 92 THR CA . 6493 1 1116 . 1 1 92 92 THR CB C 13 73.75 . . 1 . . . . 92 THR CB . 6493 1 1117 . 1 1 92 92 THR CG2 C 13 23.15 . . 1 . . . . 92 THR CG2 . 6493 1 1118 . 1 1 92 92 THR N N 15 120.88 . . 1 . . . . 92 THR N . 6493 1 1119 . 1 1 93 93 PHE H H 1 8.41 . . 1 . . . . 93 PHE H . 6493 1 1120 . 1 1 93 93 PHE HA H 1 4.97 . . 1 . . . . 93 PHE HA . 6493 1 1121 . 1 1 93 93 PHE HB2 H 1 3.19 . . 2 . . . . 93 PHE HB2 . 6493 1 1122 . 1 1 93 93 PHE HB3 H 1 2.80 . . 2 . . . . 93 PHE HB3 . 6493 1 1123 . 1 1 93 93 PHE HD1 H 1 7.26 . . 1 . . . . 93 PHE HD1 . 6493 1 1124 . 1 1 93 93 PHE HD2 H 1 7.26 . . 1 . . . . 93 PHE HD2 . 6493 1 1125 . 1 1 93 93 PHE HE1 H 1 7.17 . . 1 . . . . 93 PHE HE1 . 6493 1 1126 . 1 1 93 93 PHE HE2 H 1 7.17 . . 1 . . . . 93 PHE HE2 . 6493 1 1127 . 1 1 93 93 PHE HZ H 1 7.07 . . 1 . . . . 93 PHE HZ . 6493 1 1128 . 1 1 93 93 PHE C C 13 177.75 . . 1 . . . . 93 PHE C . 6493 1 1129 . 1 1 93 93 PHE CA C 13 60.65 . . 1 . . . . 93 PHE CA . 6493 1 1130 . 1 1 93 93 PHE CB C 13 42.25 . . 1 . . . . 93 PHE CB . 6493 1 1131 . 1 1 93 93 PHE CD1 C 13 128.7 . . 1 . . . . 93 PHE CD1 . 6493 1 1132 . 1 1 93 93 PHE CD2 C 13 128.7 . . 1 . . . . 93 PHE CD2 . 6493 1 1133 . 1 1 93 93 PHE CE1 C 13 128.7 . . 1 . . . . 93 PHE CE1 . 6493 1 1134 . 1 1 93 93 PHE CE2 C 13 128.7 . . 1 . . . . 93 PHE CE2 . 6493 1 1135 . 1 1 93 93 PHE CZ C 13 126.5 . . 1 . . . . 93 PHE CZ . 6493 1 1136 . 1 1 93 93 PHE N N 15 120.45 . . 1 . . . . 93 PHE N . 6493 1 1137 . 1 1 94 94 SER H H 1 8.48 . . 1 . . . . 94 SER H . 6493 1 1138 . 1 1 94 94 SER HA H 1 4.53 . . 1 . . . . 94 SER HA . 6493 1 1139 . 1 1 94 94 SER HB2 H 1 3.66 . . 2 . . . . 94 SER HB2 . 6493 1 1140 . 1 1 94 94 SER HB3 H 1 3.45 . . 2 . . . . 94 SER HB3 . 6493 1 1141 . 1 1 94 94 SER C C 13 179.6 . . 1 . . . . 94 SER C . 6493 1 1142 . 1 1 94 94 SER CA C 13 58.95 . . 1 . . . . 94 SER CA . 6493 1 1143 . 1 1 94 94 SER CB C 13 67.15 . . 1 . . . . 94 SER CB . 6493 1 1144 . 1 1 94 94 SER N N 15 116.20 . . 1 . . . . 94 SER N . 6493 1 1145 . 1 1 95 95 GLU H H 1 8.61 . . 1 . . . . 95 GLU H . 6493 1 1146 . 1 1 95 95 GLU HA H 1 4.42 . . 1 . . . . 95 GLU HA . 6493 1 1147 . 1 1 95 95 GLU HB2 H 1 2.00 . . 2 . . . . 95 GLU HB2 . 6493 1 1148 . 1 1 95 95 GLU HB3 H 1 1.84 . . 2 . . . . 95 GLU HB3 . 6493 1 1149 . 1 1 95 95 GLU HG2 H 1 2.18 . . 1 . . . . 95 GLU HG2 . 6493 1 1150 . 1 1 95 95 GLU HG3 H 1 2.18 . . 1 . . . . 95 GLU HG3 . 6493 1 1151 . 1 1 95 95 GLU C C 13 174.4 . . 1 . . . . 95 GLU C . 6493 1 1152 . 1 1 95 95 GLU CA C 13 58.15 . . 1 . . . . 95 GLU CA . 6493 1 1153 . 1 1 95 95 GLU CB C 13 33.15 . . 1 . . . . 95 GLU CB . 6493 1 1154 . 1 1 95 95 GLU CG C 13 37.95 . . 1 . . . . 95 GLU CG . 6493 1 1155 . 1 1 95 95 GLU N N 15 123.45 . . 1 . . . . 95 GLU N . 6493 1 1156 . 1 1 96 96 THR H H 1 8.34 . . 1 . . . . 96 THR H . 6493 1 1157 . 1 1 96 96 THR HA H 1 4.19 . . 1 . . . . 96 THR HA . 6493 1 1158 . 1 1 96 96 THR HB H 1 3.94 . . 1 . . . . 96 THR HB . 6493 1 1159 . 1 1 96 96 THR HG21 H 1 1.06 . . 1 . . . . 96 THR HG2 . 6493 1 1160 . 1 1 96 96 THR HG22 H 1 1.06 . . 1 . . . . 96 THR HG2 . 6493 1 1161 . 1 1 96 96 THR HG23 H 1 1.06 . . 1 . . . . 96 THR HG2 . 6493 1 1162 . 1 1 96 96 THR CA C 13 62.55 . . 1 . . . . 96 THR CA . 6493 1 1163 . 1 1 96 96 THR CB C 13 71.45 . . 1 . . . . 96 THR CB . 6493 1 1164 . 1 1 96 96 THR CG2 C 13 23.75 . . 1 . . . . 96 THR CG2 . 6493 1 1165 . 1 1 96 96 THR N N 15 117.75 . . 1 . . . . 96 THR N . 6493 1 1166 . 1 1 97 97 PRO HA H 1 4.15 . . 1 . . . . 97 PRO HA . 6493 1 1167 . 1 1 97 97 PRO HB2 H 1 1.85 . . 2 . . . . 97 PRO HB2 . 6493 1 1168 . 1 1 97 97 PRO HB3 H 1 1.65 . . 2 . . . . 97 PRO HB3 . 6493 1 1169 . 1 1 97 97 PRO HG2 H 1 1.72 . . 2 . . . . 97 PRO HG2 . 6493 1 1170 . 1 1 97 97 PRO HG3 H 1 1.51 . . 2 . . . . 97 PRO HG3 . 6493 1 1171 . 1 1 97 97 PRO HD2 H 1 3.41 . . 1 . . . . 97 PRO HD2 . 6493 1 1172 . 1 1 97 97 PRO HD3 H 1 3.41 . . 1 . . . . 97 PRO HD3 . 6493 1 1173 . 1 1 97 97 PRO C C 13 177.5 . . 1 . . . . 97 PRO C . 6493 1 1174 . 1 1 97 97 PRO CA C 13 64.95 . . 1 . . . . 97 PRO CA . 6493 1 1175 . 1 1 97 97 PRO CB C 13 33.55 . . 1 . . . . 97 PRO CB . 6493 1 1176 . 1 1 97 97 PRO CG C 13 29.15 . . 1 . . . . 97 PRO CG . 6493 1 1177 . 1 1 97 97 PRO CD C 13 52.65 . . 1 . . . . 97 PRO CD . 6493 1 1178 . 1 1 98 98 GLN H H 1 8.30 . . 1 . . . . 98 GLN H . 6493 1 1179 . 1 1 98 98 GLN HA H 1 4.07 . . 1 . . . . 98 GLN HA . 6493 1 1180 . 1 1 98 98 GLN HB2 H 1 1.93 . . 2 . . . . 98 GLN HB2 . 6493 1 1181 . 1 1 98 98 GLN HB3 H 1 1.80 . . 2 . . . . 98 GLN HB3 . 6493 1 1182 . 1 1 98 98 GLN HG2 H 1 2.20 . . 1 . . . . 98 GLN HG2 . 6493 1 1183 . 1 1 98 98 GLN HG3 H 1 2.20 . . 1 . . . . 98 GLN HG3 . 6493 1 1184 . 1 1 98 98 GLN C C 13 177.4 . . 1 . . . . 98 GLN C . 6493 1 1185 . 1 1 98 98 GLN CA C 13 58.05 . . 1 . . . . 98 GLN CA . 6493 1 1186 . 1 1 98 98 GLN CB C 13 31.25 . . 1 . . . . 98 GLN CB . 6493 1 1187 . 1 1 98 98 GLN CG C 13 35.45 . . 1 . . . . 98 GLN CG . 6493 1 1188 . 1 1 98 98 GLN N N 15 120.95 . . 1 . . . . 98 GLN N . 6493 1 1189 . 1 1 99 99 SER H H 1 8.18 . . 1 . . . . 99 SER H . 6493 1 1190 . 1 1 99 99 SER HA H 1 4.24 . . 1 . . . . 99 SER HA . 6493 1 1191 . 1 1 99 99 SER HB2 H 1 3.71 . . 1 . . . . 99 SER HB2 . 6493 1 1192 . 1 1 99 99 SER HB3 H 1 3.71 . . 1 . . . . 99 SER HB3 . 6493 1 1193 . 1 1 99 99 SER C C 13 177.8 . . 1 . . . . 99 SER C . 6493 1 1194 . 1 1 99 99 SER CA C 13 60.45 . . 1 . . . . 99 SER CA . 6493 1 1195 . 1 1 99 99 SER CB C 13 65.45 . . 1 . . . . 99 SER CB . 6493 1 1196 . 1 1 99 99 SER N N 15 116.75 . . 1 . . . . 99 SER N . 6493 1 1197 . 1 1 100 100 GLN H H 1 8.22 . . 1 . . . . 100 GLN H . 6493 1 1198 . 1 1 100 100 GLN HA H 1 4.24 . . 1 . . . . 100 GLN HA . 6493 1 1199 . 1 1 100 100 GLN HB2 H 1 1.97 . . 2 . . . . 100 GLN HB2 . 6493 1 1200 . 1 1 100 100 GLN HB3 H 1 1.79 . . 2 . . . . 100 GLN HB3 . 6493 1 1201 . 1 1 100 100 GLN HG2 H 1 2.19 . . 1 . . . . 100 GLN HG2 . 6493 1 1202 . 1 1 100 100 GLN HG3 H 1 2.19 . . 1 . . . . 100 GLN HG3 . 6493 1 1203 . 1 1 100 100 GLN C C 13 177.05 . . 1 . . . . 100 GLN C . 6493 1 1204 . 1 1 100 100 GLN CA C 13 57.65 . . 1 . . . . 100 GLN CA . 6493 1 1205 . 1 1 100 100 GLN CB C 13 31.25 . . 1 . . . . 100 GLN CB . 6493 1 1206 . 1 1 100 100 GLN CG C 13 35.75 . . 1 . . . . 100 GLN CG . 6493 1 1207 . 1 1 100 100 GLN N N 15 122.15 . . 1 . . . . 100 GLN N . 6493 1 1208 . 1 1 101 101 VAL H H 1 7.92 . . 1 . . . . 101 VAL H . 6493 1 1209 . 1 1 101 101 VAL HA H 1 3.93 . . 1 . . . . 101 VAL HA . 6493 1 1210 . 1 1 101 101 VAL HB H 1 1.88 . . 1 . . . . 101 VAL HB . 6493 1 1211 . 1 1 101 101 VAL HG11 H 1 0.73 . . 1 . . . . 101 VAL HG1 . 6493 1 1212 . 1 1 101 101 VAL HG12 H 1 0.73 . . 1 . . . . 101 VAL HG1 . 6493 1 1213 . 1 1 101 101 VAL HG13 H 1 0.73 . . 1 . . . . 101 VAL HG1 . 6493 1 1214 . 1 1 101 101 VAL HG21 H 1 0.73 . . 1 . . . . 101 VAL HG2 . 6493 1 1215 . 1 1 101 101 VAL HG22 H 1 0.73 . . 1 . . . . 101 VAL HG2 . 6493 1 1216 . 1 1 101 101 VAL HG23 H 1 0.73 . . 1 . . . . 101 VAL HG2 . 6493 1 1217 . 1 1 101 101 VAL C C 13 177.05 . . 1 . . . . 101 VAL C . 6493 1 1218 . 1 1 101 101 VAL CA C 13 64.55 . . 1 . . . . 101 VAL CA . 6493 1 1219 . 1 1 101 101 VAL CB C 13 34.65 . . 1 . . . . 101 VAL CB . 6493 1 1220 . 1 1 101 101 VAL CG1 C 13 22.95 . . 1 . . . . 101 VAL CG1 . 6493 1 1221 . 1 1 101 101 VAL CG2 C 13 22.95 . . 1 . . . . 101 VAL CG2 . 6493 1 1222 . 1 1 101 101 VAL N N 15 121.15 . . 1 . . . . 101 VAL N . 6493 1 1223 . 1 1 102 102 ALA H H 1 8.25 . . 1 . . . . 102 ALA H . 6493 1 1224 . 1 1 102 102 ALA HA H 1 4.20 . . 1 . . . . 102 ALA HA . 6493 1 1225 . 1 1 102 102 ALA HB1 H 1 1.25 . . 1 . . . . 102 ALA HB . 6493 1 1226 . 1 1 102 102 ALA HB2 H 1 1.25 . . 1 . . . . 102 ALA HB . 6493 1 1227 . 1 1 102 102 ALA HB3 H 1 1.25 . . 1 . . . . 102 ALA HB . 6493 1 1228 . 1 1 102 102 ALA C C 13 176.9 . . 1 . . . . 102 ALA C . 6493 1 1229 . 1 1 102 102 ALA CA C 13 54.25 . . 1 . . . . 102 ALA CA . 6493 1 1230 . 1 1 102 102 ALA CB C 13 21.25 . . 1 . . . . 102 ALA CB . 6493 1 1231 . 1 1 102 102 ALA N N 15 127.65 . . 1 . . . . 102 ALA N . 6493 1 1232 . 1 1 103 103 GLU H H 1 8.33 . . 1 . . . . 103 GLU H . 6493 1 1233 . 1 1 103 103 GLU HA H 1 4.11 . . 1 . . . . 103 GLU HA . 6493 1 1234 . 1 1 103 103 GLU HB2 H 1 1.93 . . 2 . . . . 103 GLU HB2 . 6493 1 1235 . 1 1 103 103 GLU HB3 H 1 1.82 . . 2 . . . . 103 GLU HB3 . 6493 1 1236 . 1 1 103 103 GLU HG2 H 1 2.15 . . 1 . . . . 103 GLU HG2 . 6493 1 1237 . 1 1 103 103 GLU HG3 H 1 2.15 . . 1 . . . . 103 GLU HG3 . 6493 1 1238 . 1 1 103 103 GLU C C 13 177.85 . . 1 . . . . 103 GLU C . 6493 1 1239 . 1 1 103 103 GLU CA C 13 58.85 . . 1 . . . . 103 GLU CA . 6493 1 1240 . 1 1 103 103 GLU CB C 13 32.05 . . 1 . . . . 103 GLU CB . 6493 1 1241 . 1 1 103 103 GLU N N 15 120.95 . . 1 . . . . 103 GLU N . 6493 1 1242 . 1 1 104 104 ASP H H 1 8.19 . . 1 . . . . 104 ASP H . 6493 1 1243 . 1 1 104 104 ASP HA H 1 4.45 . . 1 . . . . 104 ASP HA . 6493 1 1244 . 1 1 104 104 ASP HB2 H 1 2.63 . . 2 . . . . 104 ASP HB2 . 6493 1 1245 . 1 1 104 104 ASP HB3 H 1 2.58 . . 2 . . . . 104 ASP HB3 . 6493 1 1246 . 1 1 104 104 ASP C C 13 179.45 . . 1 . . . . 104 ASP C . 6493 1 1247 . 1 1 104 104 ASP CA C 13 56.25 . . 1 . . . . 104 ASP CA . 6493 1 1248 . 1 1 104 104 ASP CB C 13 43.15 . . 1 . . . . 104 ASP CB . 6493 1 1249 . 1 1 104 104 ASP N N 15 120.96 . . 1 . . . . 104 ASP N . 6493 1 1250 . 1 1 105 105 GLY H H 1 8.33 . . 1 . . . . 105 GLY H . 6493 1 1251 . 1 1 105 105 GLY HA2 H 1 3.86 . . 1 . . . . 105 GLY HA2 . 6493 1 1252 . 1 1 105 105 GLY HA3 H 1 3.86 . . 1 . . . . 105 GLY HA3 . 6493 1 1253 . 1 1 105 105 GLY C C 13 177.8 . . 1 . . . . 105 GLY C . 6493 1 1254 . 1 1 105 105 GLY CA C 13 47.25 . . 1 . . . . 105 GLY CA . 6493 1 1255 . 1 1 105 105 GLY N N 15 110.26 . . 1 . . . . 105 GLY N . 6493 1 1256 . 1 1 106 106 SER H H 1 8.12 . . 1 . . . . 106 SER H . 6493 1 1257 . 1 1 106 106 SER HA H 1 4.25 . . 1 . . . . 106 SER HA . 6493 1 1258 . 1 1 106 106 SER HB2 H 1 3.71 . . 1 . . . . 106 SER HB2 . 6493 1 1259 . 1 1 106 106 SER HB3 H 1 3.71 . . 1 . . . . 106 SER HB3 . 6493 1 1260 . 1 1 106 106 SER CA C 13 60.65 . . 1 . . . . 106 SER CA . 6493 1 1261 . 1 1 106 106 SER CB C 13 65.95 . . 1 . . . . 106 SER CB . 6493 1 1262 . 1 1 106 106 SER N N 15 115.85 . . 1 . . . . 106 SER N . 6493 1 1263 . 1 1 107 107 LEU H H 1 8.16 . . 1 . . . . 107 LEU H . 6493 1 1264 . 1 1 107 107 LEU N N 15 123.45 . . 1 . . . . 107 LEU N . 6493 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 205 6493 1 1 206 6493 1 1 207 6493 1 1 208 6493 1 1 209 6493 1 2 245 6493 1 2 246 6493 1 2 247 6493 1 2 248 6493 1 2 249 6493 1 3 540 6493 1 3 541 6493 1 3 542 6493 1 3 543 6493 1 3 544 6493 1 4 584 6493 1 4 585 6493 1 4 586 6493 1 4 587 6493 1 4 588 6493 1 5 749 6493 1 5 750 6493 1 5 751 6493 1 5 752 6493 1 5 753 6493 1 6 1093 6493 1 6 1094 6493 1 6 1095 6493 1 6 1096 6493 1 6 1097 6493 1 stop_ save_