data_53482 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53482 _Entry.Title ; Backbone 1H, 13C and 15N Chemical Shift Assignments of N-Myc1-100 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-12-16 _Entry.Accession_date 2025-12-16 _Entry.Last_release_date 2025-12-16 _Entry.Original_release_date 2025-12-16 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Johanna Hultman . . . 0009-0000-8066-228X 53482 2 Alexandra Ahlner . . . 0000-0001-7004-8251 53482 3 Maria Sunnerhagen . . . 0000-0002-0492-5890 53482 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 53482 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 282 53482 '15N chemical shifts' 84 53482 '1H chemical shifts' 315 53482 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 . . 2026-01-29 . original BMRB . 53482 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 53483 'Backbone 1H, 13C and 15N Chemical Shift Assignments of N-Myc1-69' 53482 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53482 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; The N-Myc MB0-MBI region interacts specifically and dynamically with the N-lobe of Aurora kinase A ; _Citation.Status submitted _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Johanna Hultman . . . . 53482 1 2 Vivian Morad . . . . 53482 1 3 Eliane Tanner . . . . 53482 1 4 Tristan Kenney . M.G. . . 53482 1 5 Zuzanna Pietras . . . . 53482 1 6 Lalit 'Pramod Khare' . . . . 53482 1 7 Dean Derbyshire . . . . 53482 1 8 Diana Resetca . . . . 53482 1 9 Cheryl Arrowsmith . H. . . 53482 1 10 Daniel Aili . . . . 53482 1 11 Simon Ekstrom . . . . 53482 1 12 Linda Penn . Z. . . 53482 1 13 Bjorn Wallner . . . . 53482 1 14 Alexandra Ahlner . . . . 53482 1 15 Maria Sunnerhagen . . . . 53482 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53482 _Assembly.ID 1 _Assembly.Name N-Myc1-100 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states yes _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 N-Myc1-100 1 $entity_1 . . yes native no no . . . 53482 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53482 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; MPSCSTSTMPGMICKNPDLE FDSLQPCFYPDEDDFYFGGP DSTPPGEDIWKKFELLPTPP LSPSRGFAEHSSEPPSWVTE MLLENELWGSPAEEDAFGLG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _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 100 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . 53482 1 2 . PRO . 53482 1 3 . SER . 53482 1 4 . CYS . 53482 1 5 . SER . 53482 1 6 . THR . 53482 1 7 . SER . 53482 1 8 . THR . 53482 1 9 . MET . 53482 1 10 . PRO . 53482 1 11 . GLY . 53482 1 12 . MET . 53482 1 13 . ILE . 53482 1 14 . CYS . 53482 1 15 . LYS . 53482 1 16 . ASN . 53482 1 17 . PRO . 53482 1 18 . ASP . 53482 1 19 . LEU . 53482 1 20 . GLU . 53482 1 21 . PHE . 53482 1 22 . ASP . 53482 1 23 . SER . 53482 1 24 . LEU . 53482 1 25 . GLN . 53482 1 26 . PRO . 53482 1 27 . CYS . 53482 1 28 . PHE . 53482 1 29 . TYR . 53482 1 30 . PRO . 53482 1 31 . ASP . 53482 1 32 . GLU . 53482 1 33 . ASP . 53482 1 34 . ASP . 53482 1 35 . PHE . 53482 1 36 . TYR . 53482 1 37 . PHE . 53482 1 38 . GLY . 53482 1 39 . GLY . 53482 1 40 . PRO . 53482 1 41 . ASP . 53482 1 42 . SER . 53482 1 43 . THR . 53482 1 44 . PRO . 53482 1 45 . PRO . 53482 1 46 . GLY . 53482 1 47 . GLU . 53482 1 48 . ASP . 53482 1 49 . ILE . 53482 1 50 . TRP . 53482 1 51 . LYS . 53482 1 52 . LYS . 53482 1 53 . PHE . 53482 1 54 . GLU . 53482 1 55 . LEU . 53482 1 56 . LEU . 53482 1 57 . PRO . 53482 1 58 . THR . 53482 1 59 . PRO . 53482 1 60 . PRO . 53482 1 61 . LEU . 53482 1 62 . SER . 53482 1 63 . PRO . 53482 1 64 . SER . 53482 1 65 . ARG . 53482 1 66 . GLY . 53482 1 67 . PHE . 53482 1 68 . ALA . 53482 1 69 . GLU . 53482 1 70 . HIS . 53482 1 71 . SER . 53482 1 72 . SER . 53482 1 73 . GLU . 53482 1 74 . PRO . 53482 1 75 . PRO . 53482 1 76 . SER . 53482 1 77 . TRP . 53482 1 78 . VAL . 53482 1 79 . THR . 53482 1 80 . GLU . 53482 1 81 . MET . 53482 1 82 . LEU . 53482 1 83 . LEU . 53482 1 84 . GLU . 53482 1 85 . ASN . 53482 1 86 . GLU . 53482 1 87 . LEU . 53482 1 88 . TRP . 53482 1 89 . GLY . 53482 1 90 . SER . 53482 1 91 . PRO . 53482 1 92 . ALA . 53482 1 93 . GLU . 53482 1 94 . GLU . 53482 1 95 . ASP . 53482 1 96 . ALA . 53482 1 97 . PHE . 53482 1 98 . GLY . 53482 1 99 . LEU . 53482 1 100 . GLY . 53482 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 53482 1 . PRO 2 2 53482 1 . SER 3 3 53482 1 . CYS 4 4 53482 1 . SER 5 5 53482 1 . THR 6 6 53482 1 . SER 7 7 53482 1 . THR 8 8 53482 1 . MET 9 9 53482 1 . PRO 10 10 53482 1 . GLY 11 11 53482 1 . MET 12 12 53482 1 . ILE 13 13 53482 1 . CYS 14 14 53482 1 . LYS 15 15 53482 1 . ASN 16 16 53482 1 . PRO 17 17 53482 1 . ASP 18 18 53482 1 . LEU 19 19 53482 1 . GLU 20 20 53482 1 . PHE 21 21 53482 1 . ASP 22 22 53482 1 . SER 23 23 53482 1 . LEU 24 24 53482 1 . GLN 25 25 53482 1 . PRO 26 26 53482 1 . CYS 27 27 53482 1 . PHE 28 28 53482 1 . TYR 29 29 53482 1 . PRO 30 30 53482 1 . ASP 31 31 53482 1 . GLU 32 32 53482 1 . ASP 33 33 53482 1 . ASP 34 34 53482 1 . PHE 35 35 53482 1 . TYR 36 36 53482 1 . PHE 37 37 53482 1 . GLY 38 38 53482 1 . GLY 39 39 53482 1 . PRO 40 40 53482 1 . ASP 41 41 53482 1 . SER 42 42 53482 1 . THR 43 43 53482 1 . PRO 44 44 53482 1 . PRO 45 45 53482 1 . GLY 46 46 53482 1 . GLU 47 47 53482 1 . ASP 48 48 53482 1 . ILE 49 49 53482 1 . TRP 50 50 53482 1 . LYS 51 51 53482 1 . LYS 52 52 53482 1 . PHE 53 53 53482 1 . GLU 54 54 53482 1 . LEU 55 55 53482 1 . LEU 56 56 53482 1 . PRO 57 57 53482 1 . THR 58 58 53482 1 . PRO 59 59 53482 1 . PRO 60 60 53482 1 . LEU 61 61 53482 1 . SER 62 62 53482 1 . PRO 63 63 53482 1 . SER 64 64 53482 1 . ARG 65 65 53482 1 . GLY 66 66 53482 1 . PHE 67 67 53482 1 . ALA 68 68 53482 1 . GLU 69 69 53482 1 . HIS 70 70 53482 1 . SER 71 71 53482 1 . SER 72 72 53482 1 . GLU 73 73 53482 1 . PRO 74 74 53482 1 . PRO 75 75 53482 1 . SER 76 76 53482 1 . TRP 77 77 53482 1 . VAL 78 78 53482 1 . THR 79 79 53482 1 . GLU 80 80 53482 1 . MET 81 81 53482 1 . LEU 82 82 53482 1 . LEU 83 83 53482 1 . GLU 84 84 53482 1 . ASN 85 85 53482 1 . GLU 86 86 53482 1 . LEU 87 87 53482 1 . TRP 88 88 53482 1 . GLY 89 89 53482 1 . SER 90 90 53482 1 . PRO 91 91 53482 1 . ALA 92 92 53482 1 . GLU 93 93 53482 1 . GLU 94 94 53482 1 . ASP 95 95 53482 1 . ALA 96 96 53482 1 . PHE 97 97 53482 1 . GLY 98 98 53482 1 . LEU 99 99 53482 1 . GLY 100 100 53482 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 53482 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . P04198 . 53482 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 53482 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pNH-TrxT . . . 53482 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53482 _Sample.ID 1 _Sample.Name N-Myc1-100 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 N-Myc1-100 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 98 . . uM . . . . 53482 1 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 53482 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 53482 1 4 glycerol 'natural abundance' . . . . . . 5 . . % . . . . 53482 1 5 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 53482 1 6 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 53482 1 7 'sodium acetate' 'natural abundance' . . . . . . 100 . . uM . . . . 53482 1 8 D2O [U-2H] . . . . . . 10 . . % . . . . 53482 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 53482 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'N-Myc sample conditions' _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 6.5 . pH 53482 1 temperature 288 . K 53482 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53482 _Software.ID 1 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 53482 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 53482 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Varian IN-OVA' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 53482 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53482 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53482 1 3 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53482 1 4 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53482 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53482 1 6 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53482 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 53482 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name N-Myc1-100 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 0 internal indirect . . . . . . 53482 1 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . 53482 1 N 15 water protons . . . . ppm 0 internal indirect . . . . . . 53482 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 53482 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'N-Myc1-100 assigned chemical shift list' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 53482 1 2 '3D CBCA(CO)NH' . . . 53482 1 3 '3D HNCACB' . . . 53482 1 4 '3D HNCO' . . . 53482 1 5 '3D HBHA(CO)NH' . . . 53482 1 6 '3D HN(CA)CO' . . . 53482 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 53482 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 PRO HA H 1 4.396 0.000 . 1 . . . . . 2 PRO HA . 53482 1 2 . 1 . 1 2 2 PRO HB2 H 1 2.254 0.000 . 1 . . . . . 2 PRO HB2 . 53482 1 3 . 1 . 1 2 2 PRO HB3 H 1 1.872 0.000 . 1 . . . . . 2 PRO HB3 . 53482 1 4 . 1 . 1 2 2 PRO C C 13 176.844 0.001 . 1 . . . . . 2 PRO CO . 53482 1 5 . 1 . 1 2 2 PRO CA C 13 63.133 0.077 . 1 . . . . . 2 PRO CA . 53482 1 6 . 1 . 1 2 2 PRO CB C 13 32.158 0.011 . 1 . . . . . 2 PRO CB . 53482 1 7 . 1 . 1 3 3 SER H H 1 8.533 0.001 . 1 . . . . . 3 SER HN . 53482 1 8 . 1 . 1 3 3 SER HA H 1 4.373 0.000 . 1 . . . . . 3 SER HA . 53482 1 9 . 1 . 1 3 3 SER HB2 H 1 3.823 0.000 . 1 . . . . . 3 SER HB2 . 53482 1 10 . 1 . 1 3 3 SER C C 13 174.570 0.003 . 1 . . . . . 3 SER CO . 53482 1 11 . 1 . 1 3 3 SER CA C 13 58.354 0.075 . 1 . . . . . 3 SER CA . 53482 1 12 . 1 . 1 3 3 SER CB C 13 63.850 0.075 . 1 . . . . . 3 SER CB . 53482 1 13 . 1 . 1 3 3 SER N N 15 116.334 0.008 . 1 . . . . . 3 SER N . 53482 1 14 . 1 . 1 4 4 CYS H H 1 8.447 0.002 . 1 . . . . . 4 CYS HN . 53482 1 15 . 1 . 1 4 4 CYS HA H 1 4.544 0.000 . 1 . . . . . 4 CYS HA . 53482 1 16 . 1 . 1 4 4 CYS HB2 H 1 2.893 0.000 . 1 . . . . . 4 CYS HB2 . 53482 1 17 . 1 . 1 4 4 CYS C C 13 174.611 0.006 . 1 . . . . . 4 CYS CO . 53482 1 18 . 1 . 1 4 4 CYS CA C 13 58.360 0.082 . 1 . . . . . 4 CYS CA . 53482 1 19 . 1 . 1 4 4 CYS CB C 13 28.210 0.016 . 1 . . . . . 4 CYS CB . 53482 1 20 . 1 . 1 4 4 CYS N N 15 120.877 0.037 . 1 . . . . . 4 CYS N . 53482 1 21 . 1 . 1 5 5 SER H H 1 8.526 0.001 . 1 . . . . . 5 SER HN . 53482 1 22 . 1 . 1 5 5 SER HA H 1 4.483 0.000 . 1 . . . . . 5 SER HA . 53482 1 23 . 1 . 1 5 5 SER HB2 H 1 3.836 0.000 . 1 . . . . . 5 SER HB2 . 53482 1 24 . 1 . 1 5 5 SER C C 13 174.839 0.001 . 1 . . . . . 5 SER CO . 53482 1 25 . 1 . 1 5 5 SER CA C 13 58.559 0.029 . 1 . . . . . 5 SER CA . 53482 1 26 . 1 . 1 5 5 SER CB C 13 63.790 0.041 . 1 . . . . . 5 SER CB . 53482 1 27 . 1 . 1 5 5 SER N N 15 118.572 0.039 . 1 . . . . . 5 SER N . 53482 1 28 . 1 . 1 6 6 THR H H 1 8.231 0.001 . 1 . . . . . 6 THR HN . 53482 1 29 . 1 . 1 6 6 THR HA H 1 4.363 0.000 . 1 . . . . . 6 THR HA . 53482 1 30 . 1 . 1 6 6 THR HB H 1 4.259 0.000 . 1 . . . . . 6 THR HB . 53482 1 31 . 1 . 1 6 6 THR C C 13 174.673 0.001 . 1 . . . . . 6 THR CO . 53482 1 32 . 1 . 1 6 6 THR CA C 13 61.950 0.012 . 1 . . . . . 6 THR CA . 53482 1 33 . 1 . 1 6 6 THR CB C 13 69.623 0.015 . 1 . . . . . 6 THR CB . 53482 1 34 . 1 . 1 6 6 THR N N 15 115.612 0.015 . 1 . . . . . 6 THR N . 53482 1 35 . 1 . 1 7 7 SER H H 1 8.319 0.001 . 1 . . . . . 7 SER HN . 53482 1 36 . 1 . 1 7 7 SER HA H 1 4.466 0.000 . 1 . . . . . 7 SER HA . 53482 1 37 . 1 . 1 7 7 SER HB2 H 1 3.815 0.000 . 1 . . . . . 7 SER HB2 . 53482 1 38 . 1 . 1 7 7 SER C C 13 174.613 0.005 . 1 . . . . . 7 SER CO . 53482 1 39 . 1 . 1 7 7 SER CA C 13 58.491 0.010 . 1 . . . . . 7 SER CA . 53482 1 40 . 1 . 1 7 7 SER CB C 13 63.840 0.013 . 1 . . . . . 7 SER CB . 53482 1 41 . 1 . 1 7 7 SER N N 15 117.783 0.037 . 1 . . . . . 7 SER N . 53482 1 42 . 1 . 1 8 8 THR H H 1 8.173 0.002 . 1 . . . . . 8 THR HN . 53482 1 43 . 1 . 1 8 8 THR HA H 1 4.290 0.000 . 1 . . . . . 8 THR HA . 53482 1 44 . 1 . 1 8 8 THR HB H 1 4.165 0.000 . 1 . . . . . 8 THR HB . 53482 1 45 . 1 . 1 8 8 THR C C 13 174.285 0.000 . 1 . . . . . 8 THR CO . 53482 1 46 . 1 . 1 8 8 THR CA C 13 61.756 0.041 . 1 . . . . . 8 THR CA . 53482 1 47 . 1 . 1 8 8 THR CB C 13 69.675 0.021 . 1 . . . . . 8 THR CB . 53482 1 48 . 1 . 1 8 8 THR N N 15 115.777 0.024 . 1 . . . . . 8 THR N . 53482 1 49 . 1 . 1 9 9 MET H H 1 8.283 0.002 . 1 . . . . . 9 MET HN . 53482 1 50 . 1 . 1 9 9 MET C C 13 174.044 0.000 . 1 . . . . . 9 MET CO . 53482 1 51 . 1 . 1 9 9 MET CA C 13 53.428 0.000 . 1 . . . . . 9 MET CA . 53482 1 52 . 1 . 1 9 9 MET CB C 13 32.471 0.000 . 1 . . . . . 9 MET CB . 53482 1 53 . 1 . 1 9 9 MET N N 15 124.079 0.020 . 1 . . . . . 9 MET N . 53482 1 54 . 1 . 1 10 10 PRO HA H 1 4.327 0.000 . 1 . . . . . 10 PRO HA . 53482 1 55 . 1 . 1 10 10 PRO HB2 H 1 2.225 0.000 . 1 . . . . . 10 PRO HB2 . 53482 1 56 . 1 . 1 10 10 PRO HB3 H 1 1.863 0.000 . 1 . . . . . 10 PRO HB3 . 53482 1 57 . 1 . 1 10 10 PRO C C 13 177.527 0.001 . 1 . . . . . 10 PRO CO . 53482 1 58 . 1 . 1 10 10 PRO CA C 13 63.543 0.025 . 1 . . . . . 10 PRO CA . 53482 1 59 . 1 . 1 10 10 PRO CB C 13 31.992 0.015 . 1 . . . . . 10 PRO CB . 53482 1 60 . 1 . 1 11 11 GLY H H 1 8.551 0.001 . 1 . . . . . 11 GLY HN . 53482 1 61 . 1 . 1 11 11 GLY HA3 H 1 3.852 0.000 . 1 . . . . . 11 GLY HA3 . 53482 1 62 . 1 . 1 11 11 GLY C C 13 174.077 0.002 . 1 . . . . . 11 GLY CO . 53482 1 63 . 1 . 1 11 11 GLY CA C 13 45.307 0.010 . 1 . . . . . 11 GLY CA . 53482 1 64 . 1 . 1 11 11 GLY N N 15 109.356 0.018 . 1 . . . . . 11 GLY N . 53482 1 65 . 1 . 1 12 12 MET H H 1 8.055 0.001 . 1 . . . . . 12 MET HN . 53482 1 66 . 1 . 1 12 12 MET HA H 1 4.421 0.000 . 1 . . . . . 12 MET HA . 53482 1 67 . 1 . 1 12 12 MET HB2 H 1 1.992 0.000 . 1 . . . . . 12 MET HB2 . 53482 1 68 . 1 . 1 12 12 MET HB3 H 1 1.954 0.000 . 1 . . . . . 12 MET HB3 . 53482 1 69 . 1 . 1 12 12 MET C C 13 176.037 0.008 . 1 . . . . . 12 MET CO . 53482 1 70 . 1 . 1 12 12 MET CA C 13 55.399 0.019 . 1 . . . . . 12 MET CA . 53482 1 71 . 1 . 1 12 12 MET CB C 13 33.064 0.012 . 1 . . . . . 12 MET CB . 53482 1 72 . 1 . 1 12 12 MET N N 15 119.647 0.025 . 1 . . . . . 12 MET N . 53482 1 73 . 1 . 1 13 13 ILE H H 1 8.246 0.002 . 1 . . . . . 13 ILE HN . 53482 1 74 . 1 . 1 13 13 ILE HA H 1 4.116 0.000 . 1 . . . . . 13 ILE HA . 53482 1 75 . 1 . 1 13 13 ILE HB H 1 1.774 0.000 . 1 . . . . . 13 ILE HB . 53482 1 76 . 1 . 1 13 13 ILE C C 13 175.908 0.005 . 1 . . . . . 13 ILE CO . 53482 1 77 . 1 . 1 13 13 ILE CA C 13 61.011 0.010 . 1 . . . . . 13 ILE CA . 53482 1 78 . 1 . 1 13 13 ILE CB C 13 38.744 0.034 . 1 . . . . . 13 ILE CB . 53482 1 79 . 1 . 1 13 13 ILE N N 15 122.580 0.039 . 1 . . . . . 13 ILE N . 53482 1 80 . 1 . 1 14 14 CYS H H 1 8.494 0.002 . 1 . . . . . 14 CYS HN . 53482 1 81 . 1 . 1 14 14 CYS HA H 1 4.418 0.000 . 1 . . . . . 14 CYS HA . 53482 1 82 . 1 . 1 14 14 CYS HB2 H 1 2.804 0.000 . 1 . . . . . 14 CYS HB . 53482 1 83 . 1 . 1 14 14 CYS HB3 H 1 2.804 0.000 . 1 . . . . . 14 CYS HB . 53482 1 84 . 1 . 1 14 14 CYS C C 13 174.200 0.004 . 1 . . . . . 14 CYS CO . 53482 1 85 . 1 . 1 14 14 CYS CA C 13 58.255 0.020 . 1 . . . . . 14 CYS CA . 53482 1 86 . 1 . 1 14 14 CYS CB C 13 28.136 0.034 . 1 . . . . . 14 CYS CB . 53482 1 87 . 1 . 1 14 14 CYS N N 15 124.318 0.040 . 1 . . . . . 14 CYS N . 53482 1 88 . 1 . 1 15 15 LYS H H 1 8.500 0.002 . 1 . . . . . 15 LYS HN . 53482 1 89 . 1 . 1 15 15 LYS HA H 1 4.204 0.000 . 1 . . . . . 15 LYS HA . 53482 1 90 . 1 . 1 15 15 LYS HB2 H 1 1.707 0.000 . 1 . . . . . 15 LYS HB2 . 53482 1 91 . 1 . 1 15 15 LYS HB3 H 1 1.645 0.000 . 1 . . . . . 15 LYS HB3 . 53482 1 92 . 1 . 1 15 15 LYS C C 13 175.792 0.007 . 1 . . . . . 15 LYS CO . 53482 1 93 . 1 . 1 15 15 LYS CA C 13 56.268 0.034 . 1 . . . . . 15 LYS CA . 53482 1 94 . 1 . 1 15 15 LYS CB C 13 33.140 0.046 . 1 . . . . . 15 LYS CB . 53482 1 95 . 1 . 1 15 15 LYS N N 15 124.613 0.023 . 1 . . . . . 15 LYS N . 53482 1 96 . 1 . 1 16 16 ASN H H 1 8.500 0.002 . 1 . . . . . 16 ASN HN . 53482 1 97 . 1 . 1 16 16 ASN C C 13 173.735 0.000 . 1 . . . . . 16 ASN CO . 53482 1 98 . 1 . 1 16 16 ASN CA C 13 51.122 0.000 . 1 . . . . . 16 ASN CA . 53482 1 99 . 1 . 1 16 16 ASN CB C 13 38.833 0.000 . 1 . . . . . 16 ASN CB . 53482 1 100 . 1 . 1 16 16 ASN N N 15 121.340 0.050 . 1 . . . . . 16 ASN N . 53482 1 101 . 1 . 1 17 17 PRO HA H 1 4.313 0.000 . 1 . . . . . 17 PRO HA . 53482 1 102 . 1 . 1 17 17 PRO HB2 H 1 2.214 0.000 . 1 . . . . . 17 PRO HB2 . 53482 1 103 . 1 . 1 17 17 PRO HB3 H 1 1.893 0.000 . 1 . . . . . 17 PRO HB3 . 53482 1 104 . 1 . 1 17 17 PRO C C 13 176.721 0.002 . 1 . . . . . 17 PRO CO . 53482 1 105 . 1 . 1 17 17 PRO CA C 13 63.730 0.036 . 1 . . . . . 17 PRO CA . 53482 1 106 . 1 . 1 17 17 PRO CB C 13 32.079 0.079 . 1 . . . . . 17 PRO CB . 53482 1 107 . 1 . 1 18 18 ASP H H 1 8.279 0.002 . 1 . . . . . 18 ASP HN . 53482 1 108 . 1 . 1 18 18 ASP HA H 1 4.496 0.000 . 1 . . . . . 18 ASP HA . 53482 1 109 . 1 . 1 18 18 ASP HB2 H 1 2.677 0.000 . 1 . . . . . 18 ASP HB2 . 53482 1 110 . 1 . 1 18 18 ASP HB3 H 1 2.502 0.000 . 1 . . . . . 18 ASP HB3 . 53482 1 111 . 1 . 1 18 18 ASP C C 13 176.279 0.005 . 1 . . . . . 18 ASP CO . 53482 1 112 . 1 . 1 18 18 ASP CA C 13 54.759 0.012 . 1 . . . . . 18 ASP CA . 53482 1 113 . 1 . 1 18 18 ASP CB C 13 40.847 0.029 . 1 . . . . . 18 ASP CB . 53482 1 114 . 1 . 1 18 18 ASP N N 15 119.169 0.052 . 1 . . . . . 18 ASP N . 53482 1 115 . 1 . 1 19 19 LEU H H 1 7.857 0.001 . 1 . . . . . 19 LEU HN . 53482 1 116 . 1 . 1 19 19 LEU HA H 1 4.248 0.000 . 1 . . . . . 19 LEU HA . 53482 1 117 . 1 . 1 19 19 LEU HB2 H 1 1.549 0.000 . 1 . . . . . 19 LEU HB2 . 53482 1 118 . 1 . 1 19 19 LEU HB3 H 1 1.497 0.000 . 1 . . . . . 19 LEU HB3 . 53482 1 119 . 1 . 1 19 19 LEU C C 13 177.224 0.003 . 1 . . . . . 19 LEU CO . 53482 1 120 . 1 . 1 19 19 LEU CA C 13 55.124 0.040 . 1 . . . . . 19 LEU CA . 53482 1 121 . 1 . 1 19 19 LEU CB C 13 42.491 0.028 . 1 . . . . . 19 LEU CB . 53482 1 122 . 1 . 1 19 19 LEU N N 15 121.143 0.024 . 1 . . . . . 19 LEU N . 53482 1 123 . 1 . 1 20 20 GLU H H 1 8.164 0.001 . 1 . . . . . 20 GLU HN . 53482 1 124 . 1 . 1 20 20 GLU HA H 1 4.131 0.000 . 1 . . . . . 20 GLU HA . 53482 1 125 . 1 . 1 20 20 GLU HB2 H 1 1.871 0.000 . 1 . . . . . 20 GLU HB2 . 53482 1 126 . 1 . 1 20 20 GLU HB3 H 1 1.818 0.000 . 1 . . . . . 20 GLU HB3 . 53482 1 127 . 1 . 1 20 20 GLU HG2 H 1 2.357 0.000 . 1 . . . . . 20 GLU HG . 53482 1 128 . 1 . 1 20 20 GLU HG3 H 1 2.357 0.000 . 1 . . . . . 20 GLU HG . 53482 1 129 . 1 . 1 20 20 GLU C C 13 176.268 0.007 . 1 . . . . . 20 GLU CO . 53482 1 130 . 1 . 1 20 20 GLU CA C 13 56.680 0.022 . 1 . . . . . 20 GLU CA . 53482 1 131 . 1 . 1 20 20 GLU CB C 13 30.186 0.022 . 1 . . . . . 20 GLU CB . 53482 1 132 . 1 . 1 20 20 GLU N N 15 120.871 0.039 . 1 . . . . . 20 GLU N . 53482 1 133 . 1 . 1 21 21 PHE H H 1 8.143 0.004 . 1 . . . . . 21 PHE HN . 53482 1 134 . 1 . 1 21 21 PHE HA H 1 4.501 0.000 . 1 . . . . . 21 PHE HA . 53482 1 135 . 1 . 1 21 21 PHE HB2 H 1 3.082 0.000 . 1 . . . . . 21 PHE HB2 . 53482 1 136 . 1 . 1 21 21 PHE HB3 H 1 2.947 0.000 . 1 . . . . . 21 PHE HB3 . 53482 1 137 . 1 . 1 21 21 PHE C C 13 175.546 0.004 . 1 . . . . . 21 PHE CO . 53482 1 138 . 1 . 1 21 21 PHE CA C 13 57.942 0.042 . 1 . . . . . 21 PHE CA . 53482 1 139 . 1 . 1 21 21 PHE CB C 13 39.717 0.024 . 1 . . . . . 21 PHE CB . 53482 1 140 . 1 . 1 21 21 PHE N N 15 120.503 0.017 . 1 . . . . . 21 PHE N . 53482 1 141 . 1 . 1 22 22 ASP H H 1 8.321 0.002 . 1 . . . . . 22 ASP HN . 53482 1 142 . 1 . 1 22 22 ASP HA H 1 4.502 0.000 . 1 . . . . . 22 ASP HA . 53482 1 143 . 1 . 1 22 22 ASP HB2 H 1 2.600 0.000 . 1 . . . . . 22 ASP HB2 . 53482 1 144 . 1 . 1 22 22 ASP HB3 H 1 2.528 0.000 . 1 . . . . . 22 ASP HB3 . 53482 1 145 . 1 . 1 22 22 ASP C C 13 176.247 0.003 . 1 . . . . . 22 ASP CO . 53482 1 146 . 1 . 1 22 22 ASP CA C 13 54.340 0.028 . 1 . . . . . 22 ASP CA . 53482 1 147 . 1 . 1 22 22 ASP CB C 13 41.149 0.034 . 1 . . . . . 22 ASP CB . 53482 1 148 . 1 . 1 22 22 ASP N N 15 121.950 0.043 . 1 . . . . . 22 ASP N . 53482 1 149 . 1 . 1 23 23 SER H H 1 8.161 0.002 . 1 . . . . . 23 SER HN . 53482 1 150 . 1 . 1 23 23 SER HA H 1 4.260 0.000 . 1 . . . . . 23 SER HA . 53482 1 151 . 1 . 1 23 23 SER HB3 H 1 3.810 0.000 . 1 . . . . . 23 SER HB3 . 53482 1 152 . 1 . 1 23 23 SER C C 13 174.499 0.012 . 1 . . . . . 23 SER CO . 53482 1 153 . 1 . 1 23 23 SER CA C 13 58.720 0.025 . 1 . . . . . 23 SER CA . 53482 1 154 . 1 . 1 23 23 SER CB C 13 63.697 0.106 . 1 . . . . . 23 SER CB . 53482 1 155 . 1 . 1 23 23 SER N N 15 116.175 0.047 . 1 . . . . . 23 SER N . 53482 1 156 . 1 . 1 24 24 LEU H H 1 8.209 0.002 . 1 . . . . . 24 LEU HN . 53482 1 157 . 1 . 1 24 24 LEU HA H 1 4.281 0.000 . 1 . . . . . 24 LEU HA . 53482 1 158 . 1 . 1 24 24 LEU HB2 H 1 1.620 0.000 . 1 . . . . . 24 LEU HB2 . 53482 1 159 . 1 . 1 24 24 LEU HB3 H 1 1.467 0.000 . 1 . . . . . 24 LEU HB3 . 53482 1 160 . 1 . 1 24 24 LEU C C 13 177.191 0.006 . 1 . . . . . 24 LEU CO . 53482 1 161 . 1 . 1 24 24 LEU CA C 13 55.162 0.023 . 1 . . . . . 24 LEU CA . 53482 1 162 . 1 . 1 24 24 LEU CB C 13 42.082 0.022 . 1 . . . . . 24 LEU CB . 53482 1 163 . 1 . 1 24 24 LEU N N 15 123.145 0.051 . 1 . . . . . 24 LEU N . 53482 1 164 . 1 . 1 25 25 GLN H H 1 8.150 0.002 . 1 . . . . . 25 GLN HN . 53482 1 165 . 1 . 1 25 25 GLN C C 13 173.806 0.000 . 1 . . . . . 25 GLN CO . 53482 1 166 . 1 . 1 25 25 GLN CA C 13 53.533 0.000 . 1 . . . . . 25 GLN CA . 53482 1 167 . 1 . 1 25 25 GLN CB C 13 29.017 0.000 . 1 . . . . . 25 GLN CB . 53482 1 168 . 1 . 1 25 25 GLN N N 15 121.746 0.039 . 1 . . . . . 25 GLN N . 53482 1 169 . 1 . 1 26 26 PRO HA H 1 4.263 0.000 . 1 . . . . . 26 PRO HA . 53482 1 170 . 1 . 1 26 26 PRO HB2 H 1 2.094 0.000 . 1 . . . . . 26 PRO HB2 . 53482 1 171 . 1 . 1 26 26 PRO HB3 H 1 1.675 0.000 . 1 . . . . . 26 PRO HB3 . 53482 1 172 . 1 . 1 26 26 PRO C C 13 176.445 0.002 . 1 . . . . . 26 PRO CO . 53482 1 173 . 1 . 1 26 26 PRO CA C 13 63.132 0.000 . 1 . . . . . 26 PRO CA . 53482 1 174 . 1 . 1 26 26 PRO CB C 13 32.088 0.082 . 1 . . . . . 26 PRO CB . 53482 1 175 . 1 . 1 27 27 CYS H H 1 8.313 0.002 . 1 . . . . . 27 CYS HN . 53482 1 176 . 1 . 1 27 27 CYS HA H 1 4.294 0.000 . 1 . . . . . 27 CYS HA . 53482 1 177 . 1 . 1 27 27 CYS HB3 H 1 2.683 0.000 . 1 . . . . . 27 CYS HB3 . 53482 1 178 . 1 . 1 27 27 CYS C C 13 173.591 0.003 . 1 . . . . . 27 CYS CO . 53482 1 179 . 1 . 1 27 27 CYS CA C 13 58.230 0.025 . 1 . . . . . 27 CYS CA . 53482 1 180 . 1 . 1 27 27 CYS CB C 13 28.187 0.011 . 1 . . . . . 27 CYS CB . 53482 1 181 . 1 . 1 27 27 CYS N N 15 119.129 0.055 . 1 . . . . . 27 CYS N . 53482 1 182 . 1 . 1 28 28 PHE H H 1 8.169 0.003 . 1 . . . . . 28 PHE HN . 53482 1 183 . 1 . 1 28 28 PHE HA H 1 4.536 0.000 . 1 . . . . . 28 PHE HA . 53482 1 184 . 1 . 1 28 28 PHE HB2 H 1 2.862 0.000 . 1 . . . . . 28 PHE HB2 . 53482 1 185 . 1 . 1 28 28 PHE C C 13 174.434 0.016 . 1 . . . . . 28 PHE CO . 53482 1 186 . 1 . 1 28 28 PHE CA C 13 57.367 0.033 . 1 . . . . . 28 PHE CA . 53482 1 187 . 1 . 1 28 28 PHE CB C 13 40.121 0.023 . 1 . . . . . 28 PHE CB . 53482 1 188 . 1 . 1 28 28 PHE N N 15 122.809 0.036 . 1 . . . . . 28 PHE N . 53482 1 189 . 1 . 1 29 29 TYR H H 1 8.211 0.002 . 1 . . . . . 29 TYR HN . 53482 1 190 . 1 . 1 29 29 TYR C C 13 173.450 0.000 . 1 . . . . . 29 TYR CO . 53482 1 191 . 1 . 1 29 29 TYR CA C 13 55.499 0.000 . 1 . . . . . 29 TYR CA . 53482 1 192 . 1 . 1 29 29 TYR CB C 13 38.636 0.000 . 1 . . . . . 29 TYR CB . 53482 1 193 . 1 . 1 29 29 TYR N N 15 123.429 0.057 . 1 . . . . . 29 TYR N . 53482 1 194 . 1 . 1 30 30 PRO HA H 1 4.255 0.000 . 1 . . . . . 30 PRO HA . 53482 1 195 . 1 . 1 30 30 PRO HB2 H 1 2.153 0.000 . 1 . . . . . 30 PRO HB2 . 53482 1 196 . 1 . 1 30 30 PRO HB3 H 1 1.843 0.000 . 1 . . . . . 30 PRO HB3 . 53482 1 197 . 1 . 1 30 30 PRO C C 13 176.461 0.001 . 1 . . . . . 30 PRO CO . 53482 1 198 . 1 . 1 30 30 PRO CA C 13 63.110 0.008 . 1 . . . . . 30 PRO CA . 53482 1 199 . 1 . 1 30 30 PRO CB C 13 32.282 0.074 . 1 . . . . . 30 PRO CB . 53482 1 200 . 1 . 1 31 31 ASP H H 1 8.427 0.003 . 1 . . . . . 31 ASP HN . 53482 1 201 . 1 . 1 31 31 ASP HA H 1 4.508 0.000 . 1 . . . . . 31 ASP HA . 53482 1 202 . 1 . 1 31 31 ASP HB2 H 1 2.671 0.000 . 1 . . . . . 31 ASP HB2 . 53482 1 203 . 1 . 1 31 31 ASP HB3 H 1 2.549 0.000 . 1 . . . . . 31 ASP HB3 . 53482 1 204 . 1 . 1 31 31 ASP C C 13 176.393 0.006 . 1 . . . . . 31 ASP CO . 53482 1 205 . 1 . 1 31 31 ASP CA C 13 54.346 0.048 . 1 . . . . . 31 ASP CA . 53482 1 206 . 1 . 1 31 31 ASP CB C 13 41.141 0.022 . 1 . . . . . 31 ASP CB . 53482 1 207 . 1 . 1 31 31 ASP N N 15 120.236 0.039 . 1 . . . . . 31 ASP N . 53482 1 208 . 1 . 1 32 32 GLU H H 1 8.333 0.002 . 1 . . . . . 32 GLU HN . 53482 1 209 . 1 . 1 32 32 GLU HA H 1 4.163 0.000 . 1 . . . . . 32 GLU HA . 53482 1 210 . 1 . 1 32 32 GLU HB2 H 1 1.983 0.000 . 1 . . . . . 32 GLU HB2 . 53482 1 211 . 1 . 1 32 32 GLU HB3 H 1 1.874 0.000 . 1 . . . . . 32 GLU HB3 . 53482 1 212 . 1 . 1 32 32 GLU C C 13 176.326 0.005 . 1 . . . . . 32 GLU CO . 53482 1 213 . 1 . 1 32 32 GLU CA C 13 56.763 0.024 . 1 . . . . . 32 GLU CA . 53482 1 214 . 1 . 1 32 32 GLU CB C 13 30.271 0.125 . 1 . . . . . 32 GLU CB . 53482 1 215 . 1 . 1 32 32 GLU N N 15 120.806 0.037 . 1 . . . . . 32 GLU N . 53482 1 216 . 1 . 1 33 33 ASP H H 1 8.381 0.002 . 1 . . . . . 33 ASP HN . 53482 1 217 . 1 . 1 33 33 ASP HA H 1 4.499 0.000 . 1 . . . . . 33 ASP HA . 53482 1 218 . 1 . 1 33 33 ASP HB2 H 1 2.556 0.000 . 1 . . . . . 33 ASP HB . 53482 1 219 . 1 . 1 33 33 ASP HB3 H 1 2.556 0.000 . 1 . . . . . 33 ASP HB . 53482 1 220 . 1 . 1 33 33 ASP C C 13 176.068 0.004 . 1 . . . . . 33 ASP CO . 53482 1 221 . 1 . 1 33 33 ASP CA C 13 54.727 0.102 . 1 . . . . . 33 ASP CA . 53482 1 222 . 1 . 1 33 33 ASP CB C 13 41.134 0.117 . 1 . . . . . 33 ASP CB . 53482 1 223 . 1 . 1 33 33 ASP N N 15 120.937 0.034 . 1 . . . . . 33 ASP N . 53482 1 224 . 1 . 1 34 34 ASP H H 1 8.208 0.001 . 1 . . . . . 34 ASP HN . 53482 1 225 . 1 . 1 34 34 ASP HA H 1 4.447 0.000 . 1 . . . . . 34 ASP HA . 53482 1 226 . 1 . 1 34 34 ASP HB2 H 1 2.504 0.000 . 1 . . . . . 34 ASP HB . 53482 1 227 . 1 . 1 34 34 ASP HB3 H 1 2.504 0.000 . 1 . . . . . 34 ASP HB . 53482 1 228 . 1 . 1 34 34 ASP C C 13 176.053 0.003 . 1 . . . . . 34 ASP CO . 53482 1 229 . 1 . 1 34 34 ASP CA C 13 54.556 0.041 . 1 . . . . . 34 ASP CA . 53482 1 230 . 1 . 1 34 34 ASP CB C 13 41.172 0.088 . 1 . . . . . 34 ASP CB . 53482 1 231 . 1 . 1 34 34 ASP N N 15 120.359 0.014 . 1 . . . . . 34 ASP N . 53482 1 232 . 1 . 1 35 35 PHE H H 1 8.118 0.001 . 1 . . . . . 35 PHE HN . 53482 1 233 . 1 . 1 35 35 PHE HA H 1 4.359 0.000 . 1 . . . . . 35 PHE HA . 53482 1 234 . 1 . 1 35 35 PHE HB2 H 1 2.875 0.000 . 1 . . . . . 35 PHE HB2 . 53482 1 235 . 1 . 1 35 35 PHE HB3 H 1 2.834 0.000 . 1 . . . . . 35 PHE HB3 . 53482 1 236 . 1 . 1 35 35 PHE C C 13 175.338 0.002 . 1 . . . . . 35 PHE CO . 53482 1 237 . 1 . 1 35 35 PHE CA C 13 58.180 0.026 . 1 . . . . . 35 PHE CA . 53482 1 238 . 1 . 1 35 35 PHE CB C 13 39.555 0.068 . 1 . . . . . 35 PHE CB . 53482 1 239 . 1 . 1 35 35 PHE N N 15 120.486 0.041 . 1 . . . . . 35 PHE N . 53482 1 240 . 1 . 1 36 36 TYR H H 1 7.991 0.003 . 1 . . . . . 36 TYR HN . 53482 1 241 . 1 . 1 36 36 TYR HA H 1 4.340 0.000 . 1 . . . . . 36 TYR HA . 53482 1 242 . 1 . 1 36 36 TYR HB2 H 1 2.764 0.000 . 1 . . . . . 36 TYR HB . 53482 1 243 . 1 . 1 36 36 TYR HB3 H 1 2.764 0.000 . 1 . . . . . 36 TYR HB . 53482 1 244 . 1 . 1 36 36 TYR C C 13 175.208 0.003 . 1 . . . . . 36 TYR CO . 53482 1 245 . 1 . 1 36 36 TYR CA C 13 58.115 0.070 . 1 . . . . . 36 TYR CA . 53482 1 246 . 1 . 1 36 36 TYR CB C 13 38.905 0.096 . 1 . . . . . 36 TYR CB . 53482 1 247 . 1 . 1 36 36 TYR N N 15 121.284 0.017 . 1 . . . . . 36 TYR N . 53482 1 248 . 1 . 1 37 37 PHE H H 1 8.115 0.001 . 1 . . . . . 37 PHE HN . 53482 1 249 . 1 . 1 37 37 PHE HA H 1 4.434 0.003 . 1 . . . . . 37 PHE HA . 53482 1 250 . 1 . 1 37 37 PHE HB2 H 1 3.043 0.000 . 1 . . . . . 37 PHE HB2 . 53482 1 251 . 1 . 1 37 37 PHE HB3 H 1 2.913 0.000 . 1 . . . . . 37 PHE HB3 . 53482 1 252 . 1 . 1 37 37 PHE C C 13 175.772 0.002 . 1 . . . . . 37 PHE CO . 53482 1 253 . 1 . 1 37 37 PHE CA C 13 57.834 0.024 . 1 . . . . . 37 PHE CA . 53482 1 254 . 1 . 1 37 37 PHE CB C 13 39.540 0.045 . 1 . . . . . 37 PHE CB . 53482 1 255 . 1 . 1 37 37 PHE N N 15 122.539 0.040 . 1 . . . . . 37 PHE N . 53482 1 256 . 1 . 1 38 38 GLY H H 1 7.790 0.002 . 1 . . . . . 38 GLY HN . 53482 1 257 . 1 . 1 38 38 GLY HA2 H 1 3.782 0.000 . 1 . . . . . 38 GLY HA2 . 53482 1 258 . 1 . 1 38 38 GLY HA3 H 1 3.777 0.000 . 1 . . . . . 38 GLY HA3 . 53482 1 259 . 1 . 1 38 38 GLY C C 13 174.045 0.005 . 1 . . . . . 38 GLY CO . 53482 1 260 . 1 . 1 38 38 GLY CA C 13 45.192 0.008 . 1 . . . . . 38 GLY CA . 53482 1 261 . 1 . 1 38 38 GLY N N 15 110.193 0.028 . 1 . . . . . 38 GLY N . 53482 1 262 . 1 . 1 39 39 GLY H H 1 7.773 0.002 . 1 . . . . . 39 GLY HN . 53482 1 263 . 1 . 1 39 39 GLY C C 13 172.193 0.000 . 1 . . . . . 39 GLY CO . 53482 1 264 . 1 . 1 39 39 GLY CA C 13 44.639 0.000 . 1 . . . . . 39 GLY CA . 53482 1 265 . 1 . 1 39 39 GLY N N 15 108.322 0.024 . 1 . . . . . 39 GLY N . 53482 1 266 . 1 . 1 40 40 PRO HA H 1 4.335 0.000 . 1 . . . . . 40 PRO HA . 53482 1 267 . 1 . 1 40 40 PRO HB2 H 1 2.207 0.000 . 1 . . . . . 40 PRO HB2 . 53482 1 268 . 1 . 1 40 40 PRO HB3 H 1 1.889 0.000 . 1 . . . . . 40 PRO HB3 . 53482 1 269 . 1 . 1 40 40 PRO C C 13 176.993 0.000 . 1 . . . . . 40 PRO CO . 53482 1 270 . 1 . 1 40 40 PRO CA C 13 63.572 0.041 . 1 . . . . . 40 PRO CA . 53482 1 271 . 1 . 1 40 40 PRO CB C 13 32.196 0.076 . 1 . . . . . 40 PRO CB . 53482 1 272 . 1 . 1 41 41 ASP H H 1 8.501 0.002 . 1 . . . . . 41 ASP HN . 53482 1 273 . 1 . 1 41 41 ASP HA H 1 4.560 0.000 . 1 . . . . . 41 ASP HA . 53482 1 274 . 1 . 1 41 41 ASP HB2 H 1 2.677 0.000 . 1 . . . . . 41 ASP HB2 . 53482 1 275 . 1 . 1 41 41 ASP HB3 H 1 2.556 0.000 . 1 . . . . . 41 ASP HB3 . 53482 1 276 . 1 . 1 41 41 ASP C C 13 176.164 0.004 . 1 . . . . . 41 ASP CO . 53482 1 277 . 1 . 1 41 41 ASP CA C 13 54.406 0.004 . 1 . . . . . 41 ASP CA . 53482 1 278 . 1 . 1 41 41 ASP CB C 13 40.965 0.032 . 1 . . . . . 41 ASP CB . 53482 1 279 . 1 . 1 41 41 ASP N N 15 119.354 0.029 . 1 . . . . . 41 ASP N . 53482 1 280 . 1 . 1 42 42 SER H H 1 8.085 0.002 . 1 . . . . . 42 SER HN . 53482 1 281 . 1 . 1 42 42 SER HA H 1 4.399 0.000 . 1 . . . . . 42 SER HA . 53482 1 282 . 1 . 1 42 42 SER HB2 H 1 3.782 0.000 . 1 . . . . . 42 SER HB . 53482 1 283 . 1 . 1 42 42 SER HB3 H 1 3.782 0.000 . 1 . . . . . 42 SER HB . 53482 1 284 . 1 . 1 42 42 SER C C 13 174.223 0.007 . 1 . . . . . 42 SER CO . 53482 1 285 . 1 . 1 42 42 SER CA C 13 58.265 0.006 . 1 . . . . . 42 SER CA . 53482 1 286 . 1 . 1 42 42 SER CB C 13 63.943 0.026 . 1 . . . . . 42 SER CB . 53482 1 287 . 1 . 1 42 42 SER N N 15 115.851 0.026 . 1 . . . . . 42 SER N . 53482 1 288 . 1 . 1 43 43 THR H H 1 8.216 0.001 . 1 . . . . . 43 THR HN . 53482 1 289 . 1 . 1 43 43 THR C C 13 172.315 0.000 . 1 . . . . . 43 THR CO . 53482 1 290 . 1 . 1 43 43 THR CA C 13 60.179 0.000 . 1 . . . . . 43 THR CA . 53482 1 291 . 1 . 1 43 43 THR CB C 13 69.699 0.000 . 1 . . . . . 43 THR CB . 53482 1 292 . 1 . 1 43 43 THR N N 15 119.034 0.016 . 1 . . . . . 43 THR N . 53482 1 293 . 1 . 1 45 45 PRO HA H 1 4.335 0.000 . 1 . . . . . 45 PRO HA . 53482 1 294 . 1 . 1 45 45 PRO HB2 H 1 2.191 0.000 . 1 . . . . . 45 PRO HB2 . 53482 1 295 . 1 . 1 45 45 PRO HB3 H 1 1.864 0.000 . 1 . . . . . 45 PRO HB3 . 53482 1 296 . 1 . 1 45 45 PRO C C 13 177.546 0.003 . 1 . . . . . 45 PRO CO . 53482 1 297 . 1 . 1 45 45 PRO CA C 13 63.183 0.040 . 1 . . . . . 45 PRO CA . 53482 1 298 . 1 . 1 45 45 PRO CB C 13 32.044 0.000 . 1 . . . . . 45 PRO CB . 53482 1 299 . 1 . 1 46 46 GLY H H 1 8.470 0.002 . 1 . . . . . 46 GLY HN . 53482 1 300 . 1 . 1 46 46 GLY HA2 H 1 3.878 0.000 . 1 . . . . . 46 GLY HA . 53482 1 301 . 1 . 1 46 46 GLY HA3 H 1 3.878 0.000 . 1 . . . . . 46 GLY HA . 53482 1 302 . 1 . 1 46 46 GLY C C 13 174.197 0.003 . 1 . . . . . 46 GLY CO . 53482 1 303 . 1 . 1 46 46 GLY CA C 13 45.251 0.034 . 1 . . . . . 46 GLY CA . 53482 1 304 . 1 . 1 46 46 GLY N N 15 109.197 0.042 . 1 . . . . . 46 GLY N . 53482 1 305 . 1 . 1 47 47 GLU H H 1 8.199 0.002 . 1 . . . . . 47 GLU HN . 53482 1 306 . 1 . 1 47 47 GLU HA H 1 4.177 0.000 . 1 . . . . . 47 GLU HA . 53482 1 307 . 1 . 1 47 47 GLU HB2 H 1 1.962 0.000 . 1 . . . . . 47 GLU HB2 . 53482 1 308 . 1 . 1 47 47 GLU HB3 H 1 1.830 0.000 . 1 . . . . . 47 GLU HB3 . 53482 1 309 . 1 . 1 47 47 GLU C C 13 176.238 0.022 . 1 . . . . . 47 GLU CO . 53482 1 310 . 1 . 1 47 47 GLU CA C 13 56.594 0.016 . 1 . . . . . 47 GLU CA . 53482 1 311 . 1 . 1 47 47 GLU CB C 13 30.425 0.011 . 1 . . . . . 47 GLU CB . 53482 1 312 . 1 . 1 47 47 GLU N N 15 120.185 0.033 . 1 . . . . . 47 GLU N . 53482 1 313 . 1 . 1 48 48 ASP H H 1 8.486 0.002 . 1 . . . . . 48 ASP HN . 53482 1 314 . 1 . 1 48 48 ASP HA H 1 4.466 0.000 . 1 . . . . . 48 ASP HA . 53482 1 315 . 1 . 1 48 48 ASP HB2 H 1 2.506 0.000 . 1 . . . . . 48 ASP HB . 53482 1 316 . 1 . 1 48 48 ASP HB3 H 1 2.506 0.000 . 1 . . . . . 48 ASP HB . 53482 1 317 . 1 . 1 48 48 ASP C C 13 176.954 0.004 . 1 . . . . . 48 ASP CO . 53482 1 318 . 1 . 1 48 48 ASP CA C 13 54.379 0.029 . 1 . . . . . 48 ASP CA . 53482 1 319 . 1 . 1 48 48 ASP CB C 13 40.692 0.005 . 1 . . . . . 48 ASP CB . 53482 1 320 . 1 . 1 48 48 ASP N N 15 121.144 0.034 . 1 . . . . . 48 ASP N . 53482 1 321 . 1 . 1 49 49 ILE H H 1 7.906 0.001 . 1 . . . . . 49 ILE HN . 53482 1 322 . 1 . 1 49 49 ILE HA H 1 3.890 0.000 . 1 . . . . . 49 ILE HA . 53482 1 323 . 1 . 1 49 49 ILE HB H 1 1.673 0.000 . 1 . . . . . 49 ILE HB . 53482 1 324 . 1 . 1 49 49 ILE C C 13 176.315 0.003 . 1 . . . . . 49 ILE CO . 53482 1 325 . 1 . 1 49 49 ILE CA C 13 62.431 0.011 . 1 . . . . . 49 ILE CA . 53482 1 326 . 1 . 1 49 49 ILE CB C 13 38.163 0.021 . 1 . . . . . 49 ILE CB . 53482 1 327 . 1 . 1 49 49 ILE N N 15 120.289 0.020 . 1 . . . . . 49 ILE N . 53482 1 328 . 1 . 1 50 50 TRP H H 1 7.910 0.001 . 1 . . . . . 50 TRP HN . 53482 1 329 . 1 . 1 50 50 TRP HA H 1 4.567 0.000 . 1 . . . . . 50 TRP HA . 53482 1 330 . 1 . 1 50 50 TRP HB2 H 1 3.273 0.000 . 1 . . . . . 50 TRP HB2 . 53482 1 331 . 1 . 1 50 50 TRP HB3 H 1 3.215 0.000 . 1 . . . . . 50 TRP HB3 . 53482 1 332 . 1 . 1 50 50 TRP C C 13 176.776 0.004 . 1 . . . . . 50 TRP CO . 53482 1 333 . 1 . 1 50 50 TRP CA C 13 57.457 0.008 . 1 . . . . . 50 TRP CA . 53482 1 334 . 1 . 1 50 50 TRP CB C 13 29.154 0.068 . 1 . . . . . 50 TRP CB . 53482 1 335 . 1 . 1 50 50 TRP N N 15 121.815 0.058 . 1 . . . . . 50 TRP N . 53482 1 336 . 1 . 1 51 51 LYS H H 1 7.752 0.002 . 1 . . . . . 51 LYS HN . 53482 1 337 . 1 . 1 51 51 LYS HA H 1 4.039 0.000 . 1 . . . . . 51 LYS HA . 53482 1 338 . 1 . 1 51 51 LYS HB2 H 1 1.603 0.000 . 1 . . . . . 51 LYS HB2 . 53482 1 339 . 1 . 1 51 51 LYS HB3 H 1 1.558 0.000 . 1 . . . . . 51 LYS HB3 . 53482 1 340 . 1 . 1 51 51 LYS C C 13 176.611 0.002 . 1 . . . . . 51 LYS CO . 53482 1 341 . 1 . 1 51 51 LYS CA C 13 56.840 0.056 . 1 . . . . . 51 LYS CA . 53482 1 342 . 1 . 1 51 51 LYS CB C 13 32.666 0.034 . 1 . . . . . 51 LYS CB . 53482 1 343 . 1 . 1 51 51 LYS N N 15 121.754 0.042 . 1 . . . . . 51 LYS N . 53482 1 344 . 1 . 1 52 52 LYS H H 1 7.955 0.001 . 1 . . . . . 52 LYS HN . 53482 1 345 . 1 . 1 52 52 LYS HA H 1 4.045 0.000 . 1 . . . . . 52 LYS HA . 53482 1 346 . 1 . 1 52 52 LYS HB3 H 1 1.572 0.000 . 1 . . . . . 52 LYS HB3 . 53482 1 347 . 1 . 1 52 52 LYS C C 13 176.542 0.007 . 1 . . . . . 52 LYS CO . 53482 1 348 . 1 . 1 52 52 LYS CA C 13 56.803 0.110 . 1 . . . . . 52 LYS CA . 53482 1 349 . 1 . 1 52 52 LYS CB C 13 32.744 0.008 . 1 . . . . . 52 LYS CB . 53482 1 350 . 1 . 1 52 52 LYS N N 15 120.736 0.064 . 1 . . . . . 52 LYS N . 53482 1 351 . 1 . 1 53 53 PHE H H 1 8.066 0.001 . 1 . . . . . 53 PHE HN . 53482 1 352 . 1 . 1 53 53 PHE HA H 1 4.507 0.000 . 1 . . . . . 53 PHE HA . 53482 1 353 . 1 . 1 53 53 PHE HB2 H 1 3.124 0.000 . 1 . . . . . 53 PHE HB2 . 53482 1 354 . 1 . 1 53 53 PHE HB3 H 1 2.957 0.000 . 1 . . . . . 53 PHE HB3 . 53482 1 355 . 1 . 1 53 53 PHE C C 13 175.623 0.003 . 1 . . . . . 53 PHE CO . 53482 1 356 . 1 . 1 53 53 PHE CA C 13 57.848 0.040 . 1 . . . . . 53 PHE CA . 53482 1 357 . 1 . 1 53 53 PHE CB C 13 39.527 0.007 . 1 . . . . . 53 PHE CB . 53482 1 358 . 1 . 1 53 53 PHE N N 15 120.293 0.034 . 1 . . . . . 53 PHE N . 53482 1 359 . 1 . 1 54 54 GLU H H 1 8.138 0.002 . 1 . . . . . 54 GLU HN . 53482 1 360 . 1 . 1 54 54 GLU HA H 1 4.169 0.000 . 1 . . . . . 54 GLU HA . 53482 1 361 . 1 . 1 54 54 GLU HB2 H 1 1.955 0.000 . 1 . . . . . 54 GLU HB2 . 53482 1 362 . 1 . 1 54 54 GLU HB3 H 1 1.884 0.000 . 1 . . . . . 54 GLU HB3 . 53482 1 363 . 1 . 1 54 54 GLU C C 13 175.713 0.014 . 1 . . . . . 54 GLU CO . 53482 1 364 . 1 . 1 54 54 GLU CA C 13 56.477 0.064 . 1 . . . . . 54 GLU CA . 53482 1 365 . 1 . 1 54 54 GLU CB C 13 30.525 0.061 . 1 . . . . . 54 GLU CB . 53482 1 366 . 1 . 1 54 54 GLU N N 15 121.912 0.048 . 1 . . . . . 54 GLU N . 53482 1 367 . 1 . 1 55 55 LEU H H 1 8.153 0.002 . 1 . . . . . 55 LEU HN . 53482 1 368 . 1 . 1 55 55 LEU HA H 1 4.271 0.000 . 1 . . . . . 55 LEU HA . 53482 1 369 . 1 . 1 55 55 LEU HB3 H 1 1.541 0.000 . 1 . . . . . 55 LEU HB3 . 53482 1 370 . 1 . 1 55 55 LEU C C 13 176.855 0.005 . 1 . . . . . 55 LEU CO . 53482 1 371 . 1 . 1 55 55 LEU CA C 13 54.758 0.074 . 1 . . . . . 55 LEU CA . 53482 1 372 . 1 . 1 55 55 LEU CB C 13 42.344 0.061 . 1 . . . . . 55 LEU CB . 53482 1 373 . 1 . 1 55 55 LEU N N 15 122.710 0.037 . 1 . . . . . 55 LEU N . 53482 1 374 . 1 . 1 56 56 LEU H H 1 8.178 0.009 . 1 . . . . . 56 LEU HN . 53482 1 375 . 1 . 1 56 56 LEU C C 13 175.054 0.000 . 1 . . . . . 56 LEU CO . 53482 1 376 . 1 . 1 56 56 LEU CA C 13 52.672 0.000 . 1 . . . . . 56 LEU CA . 53482 1 377 . 1 . 1 56 56 LEU CB C 13 41.811 0.016 . 1 . . . . . 56 LEU CB . 53482 1 378 . 1 . 1 56 56 LEU N N 15 124.572 0.054 . 1 . . . . . 56 LEU N . 53482 1 379 . 1 . 1 57 57 PRO HA H 1 4.379 0.000 . 1 . . . . . 57 PRO HA . 53482 1 380 . 1 . 1 57 57 PRO HB2 H 1 2.193 0.000 . 1 . . . . . 57 PRO HB2 . 53482 1 381 . 1 . 1 57 57 PRO HB3 H 1 1.796 0.000 . 1 . . . . . 57 PRO HB3 . 53482 1 382 . 1 . 1 57 57 PRO C C 13 176.781 0.003 . 1 . . . . . 57 PRO CO . 53482 1 383 . 1 . 1 57 57 PRO CA C 13 62.836 0.025 . 1 . . . . . 57 PRO CA . 53482 1 384 . 1 . 1 57 57 PRO CB C 13 32.079 0.057 . 1 . . . . . 57 PRO CB . 53482 1 385 . 1 . 1 58 58 THR H H 1 8.267 0.002 . 1 . . . . . 58 THR HN . 53482 1 386 . 1 . 1 58 58 THR C C 13 172.458 0.000 . 1 . . . . . 58 THR CO . 53482 1 387 . 1 . 1 58 58 THR CA C 13 59.823 0.000 . 1 . . . . . 58 THR CA . 53482 1 388 . 1 . 1 58 58 THR CB C 13 69.817 0.000 . 1 . . . . . 58 THR CB . 53482 1 389 . 1 . 1 58 58 THR N N 15 117.462 0.063 . 1 . . . . . 58 THR N . 53482 1 390 . 1 . 1 60 60 PRO HA H 1 4.342 0.000 . 1 . . . . . 60 PRO HA . 53482 1 391 . 1 . 1 60 60 PRO HB2 H 1 2.198 0.000 . 1 . . . . . 60 PRO HB2 . 53482 1 392 . 1 . 1 60 60 PRO HB3 H 1 1.803 0.000 . 1 . . . . . 60 PRO HB3 . 53482 1 393 . 1 . 1 60 60 PRO C C 13 176.738 0.006 . 1 . . . . . 60 PRO CO . 53482 1 394 . 1 . 1 60 60 PRO CA C 13 62.770 0.026 . 1 . . . . . 60 PRO CA . 53482 1 395 . 1 . 1 60 60 PRO CB C 13 32.018 0.000 . 1 . . . . . 60 PRO CB . 53482 1 396 . 1 . 1 61 61 LEU H H 1 8.358 0.002 . 1 . . . . . 61 LEU HN . 53482 1 397 . 1 . 1 61 61 LEU HA H 1 4.245 0.000 . 1 . . . . . 61 LEU HA . 53482 1 398 . 1 . 1 61 61 LEU HB2 H 1 1.527 0.000 . 1 . . . . . 61 LEU HB2 . 53482 1 399 . 1 . 1 61 61 LEU HB3 H 1 1.475 0.000 . 1 . . . . . 61 LEU HB3 . 53482 1 400 . 1 . 1 61 61 LEU C C 13 177.303 0.000 . 1 . . . . . 61 LEU CO . 53482 1 401 . 1 . 1 61 61 LEU CA C 13 55.021 0.049 . 1 . . . . . 61 LEU CA . 53482 1 402 . 1 . 1 61 61 LEU CB C 13 42.397 0.002 . 1 . . . . . 61 LEU CB . 53482 1 403 . 1 . 1 61 61 LEU N N 15 122.100 0.055 . 1 . . . . . 61 LEU N . 53482 1 404 . 1 . 1 62 62 SER H H 1 8.344 0.002 . 1 . . . . . 62 SER HN . 53482 1 405 . 1 . 1 62 62 SER C C 13 172.878 0.000 . 1 . . . . . 62 SER CO . 53482 1 406 . 1 . 1 62 62 SER CA C 13 56.233 0.000 . 1 . . . . . 62 SER CA . 53482 1 407 . 1 . 1 62 62 SER CB C 13 63.525 0.000 . 1 . . . . . 62 SER CB . 53482 1 408 . 1 . 1 62 62 SER N N 15 117.909 0.032 . 1 . . . . . 62 SER N . 53482 1 409 . 1 . 1 63 63 PRO HA H 1 4.372 0.000 . 1 . . . . . 63 PRO HA . 53482 1 410 . 1 . 1 63 63 PRO HB2 H 1 2.215 0.000 . 1 . . . . . 63 PRO HB2 . 53482 1 411 . 1 . 1 63 63 PRO HB3 H 1 1.839 0.000 . 1 . . . . . 63 PRO HB3 . 53482 1 412 . 1 . 1 63 63 PRO C C 13 177.027 0.006 . 1 . . . . . 63 PRO CO . 53482 1 413 . 1 . 1 63 63 PRO CA C 13 63.370 0.000 . 1 . . . . . 63 PRO CA . 53482 1 414 . 1 . 1 63 63 PRO CB C 13 32.128 0.000 . 1 . . . . . 63 PRO CB . 53482 1 415 . 1 . 1 63 63 PRO CG C 13 27.422 0.000 . 1 . . . . . 63 PRO CG . 53482 1 416 . 1 . 1 63 63 PRO CD C 13 50.520 0.000 . 1 . . . . . 63 PRO CD . 53482 1 417 . 1 . 1 64 64 SER H H 1 8.381 0.002 . 1 . . . . . 64 SER HN . 53482 1 418 . 1 . 1 64 64 SER HA H 1 4.315 0.013 . 1 . . . . . 64 SER HA . 53482 1 419 . 1 . 1 64 64 SER HB2 H 1 3.787 0.000 . 1 . . . . . 64 SER HB . 53482 1 420 . 1 . 1 64 64 SER HB3 H 1 3.787 0.000 . 1 . . . . . 64 SER HB . 53482 1 421 . 1 . 1 64 64 SER C C 13 174.761 0.008 . 1 . . . . . 64 SER CO . 53482 1 422 . 1 . 1 64 64 SER CA C 13 58.431 0.029 . 1 . . . . . 64 SER CA . 53482 1 423 . 1 . 1 64 64 SER CB C 13 63.615 0.057 . 1 . . . . . 64 SER CB . 53482 1 424 . 1 . 1 64 64 SER N N 15 115.875 0.034 . 1 . . . . . 64 SER N . 53482 1 425 . 1 . 1 65 65 ARG H H 1 8.366 0.003 . 1 . . . . . 65 ARG HN . 53482 1 426 . 1 . 1 65 65 ARG HA H 1 4.249 0.000 . 1 . . . . . 65 ARG HA . 53482 1 427 . 1 . 1 65 65 ARG HB2 H 1 1.792 0.000 . 1 . . . . . 65 ARG HB2 . 53482 1 428 . 1 . 1 65 65 ARG HB3 H 1 1.664 0.000 . 1 . . . . . 65 ARG HB3 . 53482 1 429 . 1 . 1 65 65 ARG C C 13 176.593 0.003 . 1 . . . . . 65 ARG CO . 53482 1 430 . 1 . 1 65 65 ARG CA C 13 56.263 0.029 . 1 . . . . . 65 ARG CA . 53482 1 431 . 1 . 1 65 65 ARG CB C 13 30.676 0.038 . 1 . . . . . 65 ARG CB . 53482 1 432 . 1 . 1 65 65 ARG N N 15 122.891 0.042 . 1 . . . . . 65 ARG N . 53482 1 433 . 1 . 1 66 66 GLY H H 1 8.361 0.002 . 1 . . . . . 66 GLY HN . 53482 1 434 . 1 . 1 66 66 GLY HA2 H 1 3.804 0.000 . 1 . . . . . 66 GLY HA . 53482 1 435 . 1 . 1 66 66 GLY HA3 H 1 3.804 0.000 . 1 . . . . . 66 GLY HA . 53482 1 436 . 1 . 1 66 66 GLY C C 13 173.795 0.009 . 1 . . . . . 66 GLY CO . 53482 1 437 . 1 . 1 66 66 GLY CA C 13 45.176 0.008 . 1 . . . . . 66 GLY CA . 53482 1 438 . 1 . 1 66 66 GLY N N 15 109.405 0.025 . 1 . . . . . 66 GLY N . 53482 1 439 . 1 . 1 67 67 PHE H H 1 8.106 0.003 . 1 . . . . . 67 PHE HN . 53482 1 440 . 1 . 1 67 67 PHE HA H 1 4.523 0.020 . 1 . . . . . 67 PHE HA . 53482 1 441 . 1 . 1 67 67 PHE HB2 H 1 3.006 0.081 . 1 . . . . . 67 PHE HB2 . 53482 1 442 . 1 . 1 67 67 PHE HB3 H 1 2.957 0.000 . 1 . . . . . 67 PHE HB3 . 53482 1 443 . 1 . 1 67 67 PHE C C 13 175.584 0.002 . 1 . . . . . 67 PHE CO . 53482 1 444 . 1 . 1 67 67 PHE CA C 13 57.834 0.020 . 1 . . . . . 67 PHE CA . 53482 1 445 . 1 . 1 67 67 PHE CB C 13 39.660 0.005 . 1 . . . . . 67 PHE CB . 53482 1 446 . 1 . 1 67 67 PHE N N 15 120.022 0.043 . 1 . . . . . 67 PHE N . 53482 1 447 . 1 . 1 68 68 ALA H H 1 8.281 0.001 . 1 . . . . . 68 ALA HN . 53482 1 448 . 1 . 1 68 68 ALA HA H 1 4.188 0.000 . 1 . . . . . 68 ALA HA . 53482 1 449 . 1 . 1 68 68 ALA HB1 H 1 1.250 0.000 . 1 . . . . . 68 ALA HB . 53482 1 450 . 1 . 1 68 68 ALA HB2 H 1 1.250 0.000 . 1 . . . . . 68 ALA HB . 53482 1 451 . 1 . 1 68 68 ALA HB3 H 1 1.250 0.000 . 1 . . . . . 68 ALA HB . 53482 1 452 . 1 . 1 68 68 ALA C C 13 177.324 0.001 . 1 . . . . . 68 ALA CO . 53482 1 453 . 1 . 1 68 68 ALA CA C 13 52.358 0.015 . 1 . . . . . 68 ALA CA . 53482 1 454 . 1 . 1 68 68 ALA CB C 13 19.311 0.003 . 1 . . . . . 68 ALA CB . 53482 1 455 . 1 . 1 68 68 ALA N N 15 125.365 0.294 . 1 . . . . . 68 ALA N . 53482 1 456 . 1 . 1 69 69 GLU H H 1 8.301 0.001 . 1 . . . . . 69 GLU HN . 53482 1 457 . 1 . 1 69 69 GLU HA H 1 4.088 0.000 . 1 . . . . . 69 GLU HA . 53482 1 458 . 1 . 1 69 69 GLU HB2 H 1 1.864 0.000 . 1 . . . . . 69 GLU HB . 53482 1 459 . 1 . 1 69 69 GLU HB3 H 1 1.864 0.000 . 1 . . . . . 69 GLU HB . 53482 1 460 . 1 . 1 69 69 GLU C C 13 176.372 0.006 . 1 . . . . . 69 GLU CO . 53482 1 461 . 1 . 1 69 69 GLU CA C 13 56.740 0.019 . 1 . . . . . 69 GLU CA . 53482 1 462 . 1 . 1 69 69 GLU CB C 13 30.196 0.002 . 1 . . . . . 69 GLU CB . 53482 1 463 . 1 . 1 69 69 GLU N N 15 120.111 0.028 . 1 . . . . . 69 GLU N . 53482 1 464 . 1 . 1 70 70 HIS H H 1 8.471 0.003 . 1 . . . . . 70 HIS HN . 53482 1 465 . 1 . 1 70 70 HIS HA H 1 4.631 0.000 . 1 . . . . . 70 HIS HA . 53482 1 466 . 1 . 1 70 70 HIS HB2 H 1 3.153 0.000 . 1 . . . . . 70 HIS HB2 . 53482 1 467 . 1 . 1 70 70 HIS HB3 H 1 3.076 0.000 . 1 . . . . . 70 HIS HB3 . 53482 1 468 . 1 . 1 70 70 HIS C C 13 174.695 0.015 . 1 . . . . . 70 HIS CO . 53482 1 469 . 1 . 1 70 70 HIS CA C 13 55.468 0.009 . 1 . . . . . 70 HIS CA . 53482 1 470 . 1 . 1 70 70 HIS CB C 13 29.483 0.009 . 1 . . . . . 70 HIS CB . 53482 1 471 . 1 . 1 70 70 HIS N N 15 119.194 0.021 . 1 . . . . . 70 HIS N . 53482 1 472 . 1 . 1 71 71 SER H H 1 8.372 0.002 . 1 . . . . . 71 SER HN . 53482 1 473 . 1 . 1 71 71 SER HA H 1 4.400 0.000 . 1 . . . . . 71 SER HA . 53482 1 474 . 1 . 1 71 71 SER HB2 H 1 3.795 0.000 . 1 . . . . . 71 SER HB . 53482 1 475 . 1 . 1 71 71 SER HB3 H 1 3.795 0.000 . 1 . . . . . 71 SER HB . 53482 1 476 . 1 . 1 71 71 SER C C 13 174.506 0.004 . 1 . . . . . 71 SER CO . 53482 1 477 . 1 . 1 71 71 SER CA C 13 58.377 0.051 . 1 . . . . . 71 SER CA . 53482 1 478 . 1 . 1 71 71 SER CB C 13 63.891 0.022 . 1 . . . . . 71 SER CB . 53482 1 479 . 1 . 1 71 71 SER N N 15 117.238 0.017 . 1 . . . . . 71 SER N . 53482 1 480 . 1 . 1 72 72 SER H H 1 8.482 0.001 . 1 . . . . . 72 SER HN . 53482 1 481 . 1 . 1 72 72 SER HA H 1 4.426 0.000 . 1 . . . . . 72 SER HA . 53482 1 482 . 1 . 1 72 72 SER HB2 H 1 3.819 0.000 . 1 . . . . . 72 SER HB . 53482 1 483 . 1 . 1 72 72 SER HB3 H 1 3.819 0.000 . 1 . . . . . 72 SER HB . 53482 1 484 . 1 . 1 72 72 SER C C 13 173.989 0.006 . 1 . . . . . 72 SER CO . 53482 1 485 . 1 . 1 72 72 SER CA C 13 58.309 0.004 . 1 . . . . . 72 SER CA . 53482 1 486 . 1 . 1 72 72 SER CB C 13 63.837 0.019 . 1 . . . . . 72 SER CB . 53482 1 487 . 1 . 1 72 72 SER N N 15 117.996 0.009 . 1 . . . . . 72 SER N . 53482 1 488 . 1 . 1 73 73 GLU H H 1 8.288 0.001 . 1 . . . . . 73 GLU HN . 53482 1 489 . 1 . 1 73 73 GLU C C 13 173.900 0.000 . 1 . . . . . 73 GLU CO . 53482 1 490 . 1 . 1 73 73 GLU CA C 13 54.360 0.000 . 1 . . . . . 73 GLU CA . 53482 1 491 . 1 . 1 73 73 GLU CB C 13 29.636 0.000 . 1 . . . . . 73 GLU CB . 53482 1 492 . 1 . 1 73 73 GLU N N 15 123.478 0.016 . 1 . . . . . 73 GLU N . 53482 1 493 . 1 . 1 75 75 PRO C C 13 177.211 0.000 . 1 . . . . . 75 PRO CO . 53482 1 494 . 1 . 1 75 75 PRO CA C 13 62.601 0.124 . 1 . . . . . 75 PRO CA . 53482 1 495 . 1 . 1 75 75 PRO CB C 13 31.874 0.000 . 1 . . . . . 75 PRO CB . 53482 1 496 . 1 . 1 75 75 PRO HA H 1 4.265 0.000 . 1 . . . . . 75 PRO HA . 53482 1 497 . 1 . 1 75 75 PRO HB3 H 1 1.961 0.000 . 1 . . . . . 75 PRO HB2 . 53482 1 498 . 1 . 1 76 76 SER H H 1 8.476 0.002 . 1 . . . . . 76 SER HN . 53482 1 499 . 1 . 1 76 76 SER HA H 1 4.205 0.000 . 1 . . . . . 76 SER HA . 53482 1 500 . 1 . 1 76 76 SER HB2 H 1 3.807 0.000 . 1 . . . . . 76 SER HB . 53482 1 501 . 1 . 1 76 76 SER HB3 H 1 3.807 0.000 . 1 . . . . . 76 SER HB . 53482 1 502 . 1 . 1 76 76 SER C C 13 174.856 0.002 . 1 . . . . . 76 SER CO . 53482 1 503 . 1 . 1 76 76 SER CA C 13 59.330 0.006 . 1 . . . . . 76 SER CA . 53482 1 504 . 1 . 1 76 76 SER CB C 13 63.448 0.042 . 1 . . . . . 76 SER CB . 53482 1 505 . 1 . 1 76 76 SER N N 15 116.269 0.026 . 1 . . . . . 76 SER N . 53482 1 506 . 1 . 1 77 77 TRP H H 1 7.788 0.001 . 1 . . . . . 77 TRP HN . 53482 1 507 . 1 . 1 77 77 TRP HA H 1 4.586 0.000 . 1 . . . . . 77 TRP HA . 53482 1 508 . 1 . 1 77 77 TRP HB2 H 1 3.200 0.000 . 1 . . . . . 77 TRP HB2 . 53482 1 509 . 1 . 1 77 77 TRP HB3 H 1 3.292 0.000 . 1 . . . . . 77 TRP HB3 . 53482 1 510 . 1 . 1 77 77 TRP C C 13 176.638 0.003 . 1 . . . . . 77 TRP CO . 53482 1 511 . 1 . 1 77 77 TRP CA C 13 57.635 0.023 . 1 . . . . . 77 TRP CA . 53482 1 512 . 1 . 1 77 77 TRP CB C 13 28.821 0.010 . 1 . . . . . 77 TRP CB . 53482 1 513 . 1 . 1 77 77 TRP N N 15 120.690 0.012 . 1 . . . . . 77 TRP N . 53482 1 514 . 1 . 1 78 78 VAL H H 1 7.459 0.002 . 1 . . . . . 78 VAL HN . 53482 1 515 . 1 . 1 78 78 VAL HA H 1 3.775 0.000 . 1 . . . . . 78 VAL HA . 53482 1 516 . 1 . 1 78 78 VAL HB H 1 1.816 0.000 . 1 . . . . . 78 VAL HB . 53482 1 517 . 1 . 1 78 78 VAL C C 13 176.558 0.002 . 1 . . . . . 78 VAL CO . 53482 1 518 . 1 . 1 78 78 VAL CA C 13 63.533 0.013 . 1 . . . . . 78 VAL CA . 53482 1 519 . 1 . 1 78 78 VAL CB C 13 32.374 0.000 . 1 . . . . . 78 VAL CB . 53482 1 520 . 1 . 1 78 78 VAL N N 15 121.650 0.024 . 1 . . . . . 78 VAL N . 53482 1 521 . 1 . 1 79 79 THR H H 1 7.824 0.002 . 1 . . . . . 79 THR HN . 53482 1 522 . 1 . 1 79 79 THR HA H 1 4.055 0.000 . 1 . . . . . 79 THR HA . 53482 1 523 . 1 . 1 79 79 THR C C 13 175.209 0.000 . 1 . . . . . 79 THR CO . 53482 1 524 . 1 . 1 79 79 THR CA C 13 63.264 0.078 . 1 . . . . . 79 THR CA . 53482 1 525 . 1 . 1 79 79 THR CB C 13 69.286 0.028 . 1 . . . . . 79 THR CB . 53482 1 526 . 1 . 1 79 79 THR N N 15 116.646 0.022 . 1 . . . . . 79 THR N . 53482 1 527 . 1 . 1 80 80 GLU H H 1 8.304 0.001 . 1 . . . . . 80 GLU HN . 53482 1 528 . 1 . 1 80 80 GLU HA H 1 4.126 0.000 . 1 . . . . . 80 GLU HA . 53482 1 529 . 1 . 1 80 80 GLU HB2 H 1 1.927 0.000 . 1 . . . . . 80 GLU HB . 53482 1 530 . 1 . 1 80 80 GLU HB3 H 1 1.927 0.000 . 1 . . . . . 80 GLU HB . 53482 1 531 . 1 . 1 80 80 GLU C C 13 176.866 0.001 . 1 . . . . . 80 GLU CO . 53482 1 532 . 1 . 1 80 80 GLU CA C 13 57.490 0.024 . 1 . . . . . 80 GLU CA . 53482 1 533 . 1 . 1 80 80 GLU CB C 13 29.976 0.085 . 1 . . . . . 80 GLU CB . 53482 1 534 . 1 . 1 80 80 GLU N N 15 122.118 0.023 . 1 . . . . . 80 GLU N . 53482 1 535 . 1 . 1 81 81 MET H H 1 8.122 0.003 . 1 . . . . . 81 MET HN . 53482 1 536 . 1 . 1 81 81 MET HA H 1 4.318 0.000 . 1 . . . . . 81 MET HA . 53482 1 537 . 1 . 1 81 81 MET HB2 H 1 1.969 0.000 . 1 . . . . . 81 MET HB . 53482 1 538 . 1 . 1 81 81 MET HB3 H 1 1.969 0.000 . 1 . . . . . 81 MET HB . 53482 1 539 . 1 . 1 81 81 MET C C 13 176.475 0.006 . 1 . . . . . 81 MET CO . 53482 1 540 . 1 . 1 81 81 MET CA C 13 56.375 0.077 . 1 . . . . . 81 MET CA . 53482 1 541 . 1 . 1 81 81 MET CB C 13 32.678 0.010 . 1 . . . . . 81 MET CB . 53482 1 542 . 1 . 1 81 81 MET N N 15 120.486 0.057 . 1 . . . . . 81 MET N . 53482 1 543 . 1 . 1 82 82 LEU H H 1 8.130 0.005 . 1 . . . . . 82 LEU HN . 53482 1 544 . 1 . 1 82 82 LEU HA H 1 4.242 0.000 . 1 . . . . . 82 LEU HA . 53482 1 545 . 1 . 1 82 82 LEU C C 13 177.047 0.915 . 1 . . . . . 82 LEU CO . 53482 1 546 . 1 . 1 82 82 LEU CA C 13 55.655 0.080 . 1 . . . . . 82 LEU CA . 53482 1 547 . 1 . 1 82 82 LEU CB C 13 42.068 0.069 . 1 . . . . . 82 LEU CB . 53482 1 548 . 1 . 1 82 82 LEU N N 15 122.610 0.035 . 1 . . . . . 82 LEU N . 53482 1 549 . 1 . 1 83 83 LEU H H 1 8.156 0.002 . 1 . . . . . 83 LEU HN . 53482 1 550 . 1 . 1 83 83 LEU HA H 1 4.228 0.000 . 1 . . . . . 83 LEU HA . 53482 1 551 . 1 . 1 83 83 LEU HB2 H 1 1.616 0.000 . 1 . . . . . 83 LEU HB2 . 53482 1 552 . 1 . 1 83 83 LEU HB3 H 1 1.514 0.000 . 1 . . . . . 83 LEU HB3 . 53482 1 553 . 1 . 1 83 83 LEU C C 13 177.846 0.018 . 1 . . . . . 83 LEU CO . 53482 1 554 . 1 . 1 83 83 LEU CA C 13 55.520 0.019 . 1 . . . . . 83 LEU CA . 53482 1 555 . 1 . 1 83 83 LEU CB C 13 42.260 0.096 . 1 . . . . . 83 LEU CB . 53482 1 556 . 1 . 1 83 83 LEU N N 15 122.251 0.022 . 1 . . . . . 83 LEU N . 53482 1 557 . 1 . 1 84 84 GLU H H 1 8.300 0.002 . 1 . . . . . 84 GLU HN . 53482 1 558 . 1 . 1 84 84 GLU HA H 1 4.122 0.000 . 1 . . . . . 84 GLU HA . 53482 1 559 . 1 . 1 84 84 GLU HB2 H 1 1.940 0.000 . 1 . . . . . 84 GLU HB . 53482 1 560 . 1 . 1 84 84 GLU HB3 H 1 1.940 0.000 . 1 . . . . . 84 GLU HB . 53482 1 561 . 1 . 1 84 84 GLU C C 13 176.546 0.004 . 1 . . . . . 84 GLU CO . 53482 1 562 . 1 . 1 84 84 GLU CA C 13 57.196 0.004 . 1 . . . . . 84 GLU CA . 53482 1 563 . 1 . 1 84 84 GLU CB C 13 29.926 0.021 . 1 . . . . . 84 GLU CB . 53482 1 564 . 1 . 1 84 84 GLU N N 15 120.609 0.016 . 1 . . . . . 84 GLU N . 53482 1 565 . 1 . 1 85 85 ASN H H 1 8.243 0.002 . 1 . . . . . 85 ASN HN . 53482 1 566 . 1 . 1 85 85 ASN HA H 1 4.506 0.000 . 1 . . . . . 85 ASN HA . 53482 1 567 . 1 . 1 85 85 ASN HB2 H 1 2.667 0.000 . 1 . . . . . 85 ASN HB . 53482 1 568 . 1 . 1 85 85 ASN HB3 H 1 2.667 0.000 . 1 . . . . . 85 ASN HB . 53482 1 569 . 1 . 1 85 85 ASN C C 13 175.473 0.003 . 1 . . . . . 85 ASN CO . 53482 1 570 . 1 . 1 85 85 ASN CA C 13 53.842 0.108 . 1 . . . . . 85 ASN CA . 53482 1 571 . 1 . 1 85 85 ASN CB C 13 39.024 0.095 . 1 . . . . . 85 ASN CB . 53482 1 572 . 1 . 1 85 85 ASN N N 15 118.278 0.020 . 1 . . . . . 85 ASN N . 53482 1 573 . 1 . 1 86 86 GLU H H 1 8.322 0.003 . 1 . . . . . 86 GLU HN . 53482 1 574 . 1 . 1 86 86 GLU HA H 1 4.113 0.000 . 1 . . . . . 86 GLU HA . 53482 1 575 . 1 . 1 86 86 GLU HB2 H 1 1.881 0.000 . 1 . . . . . 86 GLU HB . 53482 1 576 . 1 . 1 86 86 GLU HB3 H 1 1.881 0.000 . 1 . . . . . 86 GLU HB . 53482 1 577 . 1 . 1 86 86 GLU C C 13 176.559 0.013 . 1 . . . . . 86 GLU CO . 53482 1 578 . 1 . 1 86 86 GLU CA C 13 57.075 0.013 . 1 . . . . . 86 GLU CA . 53482 1 579 . 1 . 1 86 86 GLU CB C 13 29.936 0.004 . 1 . . . . . 86 GLU CB . 53482 1 580 . 1 . 1 86 86 GLU N N 15 120.823 0.035 . 1 . . . . . 86 GLU N . 53482 1 581 . 1 . 1 87 87 LEU H H 1 8.087 0.002 . 1 . . . . . 87 LEU HN . 53482 1 582 . 1 . 1 87 87 LEU HA H 1 4.180 0.000 . 1 . . . . . 87 LEU HA . 53482 1 583 . 1 . 1 87 87 LEU HB2 H 1 1.426 0.000 . 1 . . . . . 87 LEU HB2 . 53482 1 584 . 1 . 1 87 87 LEU HB3 H 1 1.292 0.000 . 1 . . . . . 87 LEU HB3 . 53482 1 585 . 1 . 1 87 87 LEU C C 13 177.312 0.001 . 1 . . . . . 87 LEU CO . 53482 1 586 . 1 . 1 87 87 LEU CA C 13 55.341 0.016 . 1 . . . . . 87 LEU CA . 53482 1 587 . 1 . 1 87 87 LEU CB C 13 42.058 0.007 . 1 . . . . . 87 LEU CB . 53482 1 588 . 1 . 1 87 87 LEU N N 15 121.528 0.033 . 1 . . . . . 87 LEU N . 53482 1 589 . 1 . 1 88 88 TRP H H 1 7.992 0.001 . 1 . . . . . 88 TRP HN . 53482 1 590 . 1 . 1 88 88 TRP HA H 1 4.628 0.000 . 1 . . . . . 88 TRP HA . 53482 1 591 . 1 . 1 88 88 TRP HB2 H 1 3.258 0.000 . 1 . . . . . 88 TRP HB2 . 53482 1 592 . 1 . 1 88 88 TRP HB3 H 1 3.164 0.000 . 1 . . . . . 88 TRP HB3 . 53482 1 593 . 1 . 1 88 88 TRP C C 13 176.704 0.007 . 1 . . . . . 88 TRP CO . 53482 1 594 . 1 . 1 88 88 TRP CA C 13 57.063 0.050 . 1 . . . . . 88 TRP CA . 53482 1 595 . 1 . 1 88 88 TRP CB C 13 29.697 0.013 . 1 . . . . . 88 TRP CB . 53482 1 596 . 1 . 1 88 88 TRP N N 15 120.821 0.030 . 1 . . . . . 88 TRP N . 53482 1 597 . 1 . 1 89 89 GLY H H 1 8.147 0.002 . 1 . . . . . 89 GLY HN . 53482 1 598 . 1 . 1 89 89 GLY HA2 H 1 3.815 0.000 . 1 . . . . . 89 GLY HA . 53482 1 599 . 1 . 1 89 89 GLY HA3 H 1 3.815 0.000 . 1 . . . . . 89 GLY HA . 53482 1 600 . 1 . 1 89 89 GLY C C 13 173.524 0.003 . 1 . . . . . 89 GLY CO . 53482 1 601 . 1 . 1 89 89 GLY CA C 13 45.093 0.004 . 1 . . . . . 89 GLY CA . 53482 1 602 . 1 . 1 89 89 GLY N N 15 110.264 0.025 . 1 . . . . . 89 GLY N . 53482 1 603 . 1 . 1 90 90 SER H H 1 8.150 0.001 . 1 . . . . . 90 SER HN . 53482 1 604 . 1 . 1 90 90 SER C C 13 172.601 0.000 . 1 . . . . . 90 SER CO . 53482 1 605 . 1 . 1 90 90 SER CA C 13 56.423 0.000 . 1 . . . . . 90 SER CA . 53482 1 606 . 1 . 1 90 90 SER CB C 13 63.353 0.000 . 1 . . . . . 90 SER CB . 53482 1 607 . 1 . 1 90 90 SER N N 15 116.778 0.039 . 1 . . . . . 90 SER N . 53482 1 608 . 1 . 1 91 91 PRO HA H 1 4.346 0.000 . 1 . . . . . 91 PRO HA . 53482 1 609 . 1 . 1 91 91 PRO HB2 H 1 2.223 0.000 . 1 . . . . . 91 PRO HB2 . 53482 1 610 . 1 . 1 91 91 PRO HB3 H 1 1.850 0.000 . 1 . . . . . 91 PRO HB3 . 53482 1 611 . 1 . 1 91 91 PRO C C 13 176.697 0.000 . 1 . . . . . 91 PRO CO . 53482 1 612 . 1 . 1 91 91 PRO CA C 13 63.266 0.028 . 1 . . . . . 91 PRO CA . 53482 1 613 . 1 . 1 91 91 PRO CB C 13 32.123 0.000 . 1 . . . . . 91 PRO CB . 53482 1 614 . 1 . 1 92 92 ALA H H 1 8.431 0.001 . 1 . . . . . 92 ALA HN . 53482 1 615 . 1 . 1 92 92 ALA HA H 1 4.219 0.000 . 1 . . . . . 92 ALA HA . 53482 1 616 . 1 . 1 92 92 ALA HB1 H 1 1.315 0.000 . 1 . . . . . 92 ALA MB . 53482 1 617 . 1 . 1 92 92 ALA HB2 H 1 1.315 0.000 . 1 . . . . . 92 ALA MB . 53482 1 618 . 1 . 1 92 92 ALA HB3 H 1 1.315 0.000 . 1 . . . . . 92 ALA MB . 53482 1 619 . 1 . 1 92 92 ALA C C 13 177.990 0.003 . 1 . . . . . 92 ALA CO . 53482 1 620 . 1 . 1 92 92 ALA CA C 13 52.467 0.010 . 1 . . . . . 92 ALA CA . 53482 1 621 . 1 . 1 92 92 ALA CB C 13 19.236 0.011 . 1 . . . . . 92 ALA CB . 53482 1 622 . 1 . 1 92 92 ALA N N 15 124.457 0.020 . 1 . . . . . 92 ALA N . 53482 1 623 . 1 . 1 93 93 GLU H H 1 8.418 0.001 . 1 . . . . . 93 GLU HN . 53482 1 624 . 1 . 1 93 93 GLU HA H 1 4.165 0.000 . 1 . . . . . 93 GLU HA . 53482 1 625 . 1 . 1 93 93 GLU HB2 H 1 1.996 0.000 . 1 . . . . . 93 GLU HB2 . 53482 1 626 . 1 . 1 93 93 GLU HB3 H 1 1.864 0.000 . 1 . . . . . 93 GLU HB3 . 53482 1 627 . 1 . 1 93 93 GLU C C 13 176.704 0.001 . 1 . . . . . 93 GLU CO . 53482 1 628 . 1 . 1 93 93 GLU CA C 13 56.675 0.052 . 1 . . . . . 93 GLU CA . 53482 1 629 . 1 . 1 93 93 GLU CB C 13 30.303 0.007 . 1 . . . . . 93 GLU CB . 53482 1 630 . 1 . 1 93 93 GLU N N 15 120.469 0.024 . 1 . . . . . 93 GLU N . 53482 1 631 . 1 . 1 94 94 GLU H H 1 8.463 0.001 . 1 . . . . . 94 GLU HN . 53482 1 632 . 1 . 1 94 94 GLU HA H 1 4.124 0.000 . 1 . . . . . 94 GLU HA . 53482 1 633 . 1 . 1 94 94 GLU HB2 H 1 1.960 0.000 . 1 . . . . . 94 GLU HB2 . 53482 1 634 . 1 . 1 94 94 GLU HB3 H 1 1.835 0.000 . 1 . . . . . 94 GLU HB3 . 53482 1 635 . 1 . 1 94 94 GLU C C 13 176.348 0.003 . 1 . . . . . 94 GLU CO . 53482 1 636 . 1 . 1 94 94 GLU CA C 13 56.728 0.008 . 1 . . . . . 94 GLU CA . 53482 1 637 . 1 . 1 94 94 GLU CB C 13 30.316 0.004 . 1 . . . . . 94 GLU CB . 53482 1 638 . 1 . 1 94 94 GLU N N 15 121.599 0.031 . 1 . . . . . 94 GLU N . 53482 1 639 . 1 . 1 95 95 ASP H H 1 8.374 0.001 . 1 . . . . . 95 ASP HN . 53482 1 640 . 1 . 1 95 95 ASP HA H 1 4.469 0.000 . 1 . . . . . 95 ASP HA . 53482 1 641 . 1 . 1 95 95 ASP HB2 H 1 2.560 0.000 . 1 . . . . . 95 ASP HB . 53482 1 642 . 1 . 1 95 95 ASP HB3 H 1 2.560 0.000 . 1 . . . . . 95 ASP HB . 53482 1 643 . 1 . 1 95 95 ASP C C 13 176.205 0.002 . 1 . . . . . 95 ASP CO . 53482 1 644 . 1 . 1 95 95 ASP CA C 13 54.416 0.045 . 1 . . . . . 95 ASP CA . 53482 1 645 . 1 . 1 95 95 ASP CB C 13 41.149 0.006 . 1 . . . . . 95 ASP CB . 53482 1 646 . 1 . 1 95 95 ASP N N 15 121.597 0.043 . 1 . . . . . 95 ASP N . 53482 1 647 . 1 . 1 96 96 ALA H H 1 8.192 0.002 . 1 . . . . . 96 ALA HN . 53482 1 648 . 1 . 1 96 96 ALA HA H 1 4.142 0.000 . 1 . . . . . 96 ALA HA . 53482 1 649 . 1 . 1 96 96 ALA HB1 H 1 1.167 0.000 . 1 . . . . . 96 ALA MB . 53482 1 650 . 1 . 1 96 96 ALA HB2 H 1 1.167 0.000 . 1 . . . . . 96 ALA MB . 53482 1 651 . 1 . 1 96 96 ALA HB3 H 1 1.167 0.000 . 1 . . . . . 96 ALA MB . 53482 1 652 . 1 . 1 96 96 ALA C C 13 177.732 0.005 . 1 . . . . . 96 ALA CO . 53482 1 653 . 1 . 1 96 96 ALA CA C 13 52.745 0.008 . 1 . . . . . 96 ALA CA . 53482 1 654 . 1 . 1 96 96 ALA CB C 13 19.097 0.001 . 1 . . . . . 96 ALA CB . 53482 1 655 . 1 . 1 96 96 ALA N N 15 124.516 0.020 . 1 . . . . . 96 ALA N . 53482 1 656 . 1 . 1 97 97 PHE H H 1 8.233 0.001 . 1 . . . . . 97 PHE HN . 53482 1 657 . 1 . 1 97 97 PHE HA H 1 4.505 0.000 . 1 . . . . . 97 PHE HA . 53482 1 658 . 1 . 1 97 97 PHE HB2 H 1 3.131 0.000 . 1 . . . . . 97 PHE HB2 . 53482 1 659 . 1 . 1 97 97 PHE HB3 H 1 2.990 0.000 . 1 . . . . . 97 PHE HB3 . 53482 1 660 . 1 . 1 97 97 PHE C C 13 176.553 0.004 . 1 . . . . . 97 PHE CO . 53482 1 661 . 1 . 1 97 97 PHE CA C 13 58.054 0.058 . 1 . . . . . 97 PHE CA . 53482 1 662 . 1 . 1 97 97 PHE CB C 13 39.287 0.006 . 1 . . . . . 97 PHE CB . 53482 1 663 . 1 . 1 97 97 PHE N N 15 118.712 0.024 . 1 . . . . . 97 PHE N . 53482 1 664 . 1 . 1 98 98 GLY H H 1 8.220 0.001 . 1 . . . . . 98 GLY HN . 53482 1 665 . 1 . 1 98 98 GLY HA2 H 1 3.838 0.000 . 1 . . . . . 98 GLY HA . 53482 1 666 . 1 . 1 98 98 GLY HA3 H 1 3.838 0.000 . 1 . . . . . 98 GLY HA . 53482 1 667 . 1 . 1 98 98 GLY C C 13 174.181 0.004 . 1 . . . . . 98 GLY CO . 53482 1 668 . 1 . 1 98 98 GLY CA C 13 45.580 0.000 . 1 . . . . . 98 GLY CA . 53482 1 669 . 1 . 1 98 98 GLY N N 15 110.098 0.016 . 1 . . . . . 98 GLY N . 53482 1 670 . 1 . 1 99 99 LEU H H 1 8.132 0.002 . 1 . . . . . 99 LEU HN . 53482 1 671 . 1 . 1 99 99 LEU HA H 1 4.322 0.000 . 1 . . . . . 99 LEU HA . 53482 1 672 . 1 . 1 99 99 LEU HB2 H 1 1.593 0.000 . 1 . . . . . 99 LEU HB . 53482 1 673 . 1 . 1 99 99 LEU HB3 H 1 1.593 0.000 . 1 . . . . . 99 LEU HB . 53482 1 674 . 1 . 1 99 99 LEU C C 13 177.095 0.002 . 1 . . . . . 99 LEU CO . 53482 1 675 . 1 . 1 99 99 LEU CA C 13 54.970 0.042 . 1 . . . . . 99 LEU CA . 53482 1 676 . 1 . 1 99 99 LEU CB C 13 42.454 0.030 . 1 . . . . . 99 LEU CB . 53482 1 677 . 1 . 1 99 99 LEU N N 15 121.591 0.016 . 1 . . . . . 99 LEU N . 53482 1 678 . 1 . 1 100 100 GLY H H 1 8.096 0.001 . 1 . . . . . 100 GLY HN . 53482 1 679 . 1 . 1 100 100 GLY C C 13 179.093 0.000 . 1 . . . . . 100 GLY CO . 53482 1 680 . 1 . 1 100 100 GLY CA C 13 46.150 0.000 . 1 . . . . . 100 GLY CA . 53482 1 681 . 1 . 1 100 100 GLY N N 15 115.621 0.015 . 1 . . . . . 100 GLY N . 53482 1 stop_ save_