data_52047 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52047 _Entry.Title ; Chemical shift assignments for GB1-N-Myc 18-59 fusion ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-07-20 _Entry.Accession_date 2023-07-20 _Entry.Last_release_date 2023-07-20 _Entry.Original_release_date 2023-07-20 _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 . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'Chemical shift assignments N-Myc 18-59 in a GB1-N-Myc fusion using 15N-/13C-labelled protein' _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 Ewa Rejnowicz . . . . 52047 2 Matthew Batchelor . . . . 52047 3 Eoin Leen . . . . 52047 4 Richard Bayliss . . . . 52047 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52047 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 296 52047 '15N chemical shifts' 103 52047 '1H chemical shifts' 388 52047 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 . . 2024-10-08 . original BMRB . 52047 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 52066 'Chemical shift assignments for N-Myc 1-137' 52047 BMRB 52067 'Chemical shift assignments for N-Myc 64-137' 52047 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52047 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 39370942 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Exploring the dynamics and interactions of the N-myc transactivation domain through solution NMR ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochem. J.' _Citation.Journal_name_full 'The Biochemical journal' _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 1470-8728 _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 2024 _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 Ewa Rejnowicz E. . . . 52047 1 2 Matthew Batchelor M. . . . 52047 1 3 Eoin Leen E. . . . 52047 1 4 'Mohd Syed' Ahangar M. S. . . 52047 1 5 Selena Burgess S. G. . . 52047 1 6 Mark Richards M. W. . . 52047 1 7 Arnout Kalverda A. . . . 52047 1 8 Richard Bayliss R. . . . 52047 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52047 _Assembly.ID 1 _Assembly.Name 'GB1-N-Myc 18-59' _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 no _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 'GB1-N-Myc 15-59' 1 $entity_1 . . yes native no no . . . 52047 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52047 _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 ; GAMAQYKLALNGKTLKGETT TEAVDAATAEKVFKQYANDN GVDGEWTYDDATKTFTVTET SDLEFDSLQPSFYPDEDDFY FGGPDSTPPGEDIWKKFELL PTP ; _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 103 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . GLY . 52047 1 2 . ALA . 52047 1 3 . MET . 52047 1 4 . ALA . 52047 1 5 . GLN . 52047 1 6 . TYR . 52047 1 7 . LYS . 52047 1 8 . LEU . 52047 1 9 . ALA . 52047 1 10 . LEU . 52047 1 11 . ASN . 52047 1 12 . GLY . 52047 1 13 . LYS . 52047 1 14 . THR . 52047 1 15 . LEU . 52047 1 16 . LYS . 52047 1 17 . GLY . 52047 1 18 . GLU . 52047 1 19 . THR . 52047 1 20 . THR . 52047 1 21 . THR . 52047 1 22 . GLU . 52047 1 23 . ALA . 52047 1 24 . VAL . 52047 1 25 . ASP . 52047 1 26 . ALA . 52047 1 27 . ALA . 52047 1 28 . THR . 52047 1 29 . ALA . 52047 1 30 . GLU . 52047 1 31 . LYS . 52047 1 32 . VAL . 52047 1 33 . PHE . 52047 1 34 . LYS . 52047 1 35 . GLN . 52047 1 36 . TYR . 52047 1 37 . ALA . 52047 1 38 . ASN . 52047 1 39 . ASP . 52047 1 40 . ASN . 52047 1 41 . GLY . 52047 1 42 . VAL . 52047 1 43 . ASP . 52047 1 44 . GLY . 52047 1 45 . GLU . 52047 1 46 . TRP . 52047 1 47 . THR . 52047 1 48 . TYR . 52047 1 49 . ASP . 52047 1 50 . ASP . 52047 1 51 . ALA . 52047 1 52 . THR . 52047 1 53 . LYS . 52047 1 54 . THR . 52047 1 55 . PHE . 52047 1 56 . THR . 52047 1 57 . VAL . 52047 1 58 . THR . 52047 1 59 . GLU . 52047 1 60 . THR . 52047 1 61 . SER . 52047 1 62 . ASP . 52047 1 63 . LEU . 52047 1 64 . GLU . 52047 1 65 . PHE . 52047 1 66 . ASP . 52047 1 67 . SER . 52047 1 68 . LEU . 52047 1 69 . GLN . 52047 1 70 . PRO . 52047 1 71 . SER . 52047 1 72 . PHE . 52047 1 73 . TYR . 52047 1 74 . PRO . 52047 1 75 . ASP . 52047 1 76 . GLU . 52047 1 77 . ASP . 52047 1 78 . ASP . 52047 1 79 . PHE . 52047 1 80 . TYR . 52047 1 81 . PHE . 52047 1 82 . GLY . 52047 1 83 . GLY . 52047 1 84 . PRO . 52047 1 85 . ASP . 52047 1 86 . SER . 52047 1 87 . THR . 52047 1 88 . PRO . 52047 1 89 . PRO . 52047 1 90 . GLY . 52047 1 91 . GLU . 52047 1 92 . ASP . 52047 1 93 . ILE . 52047 1 94 . TRP . 52047 1 95 . LYS . 52047 1 96 . LYS . 52047 1 97 . PHE . 52047 1 98 . GLU . 52047 1 99 . LEU . 52047 1 100 . LEU . 52047 1 101 . PRO . 52047 1 102 . THR . 52047 1 103 . PRO . 52047 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 . GLY 1 1 52047 1 . ALA 2 2 52047 1 . MET 3 3 52047 1 . ALA 4 4 52047 1 . GLN 5 5 52047 1 . TYR 6 6 52047 1 . LYS 7 7 52047 1 . LEU 8 8 52047 1 . ALA 9 9 52047 1 . LEU 10 10 52047 1 . ASN 11 11 52047 1 . GLY 12 12 52047 1 . LYS 13 13 52047 1 . THR 14 14 52047 1 . LEU 15 15 52047 1 . LYS 16 16 52047 1 . GLY 17 17 52047 1 . GLU 18 18 52047 1 . THR 19 19 52047 1 . THR 20 20 52047 1 . THR 21 21 52047 1 . GLU 22 22 52047 1 . ALA 23 23 52047 1 . VAL 24 24 52047 1 . ASP 25 25 52047 1 . ALA 26 26 52047 1 . ALA 27 27 52047 1 . THR 28 28 52047 1 . ALA 29 29 52047 1 . GLU 30 30 52047 1 . LYS 31 31 52047 1 . VAL 32 32 52047 1 . PHE 33 33 52047 1 . LYS 34 34 52047 1 . GLN 35 35 52047 1 . TYR 36 36 52047 1 . ALA 37 37 52047 1 . ASN 38 38 52047 1 . ASP 39 39 52047 1 . ASN 40 40 52047 1 . GLY 41 41 52047 1 . VAL 42 42 52047 1 . ASP 43 43 52047 1 . GLY 44 44 52047 1 . GLU 45 45 52047 1 . TRP 46 46 52047 1 . THR 47 47 52047 1 . TYR 48 48 52047 1 . ASP 49 49 52047 1 . ASP 50 50 52047 1 . ALA 51 51 52047 1 . THR 52 52 52047 1 . LYS 53 53 52047 1 . THR 54 54 52047 1 . PHE 55 55 52047 1 . THR 56 56 52047 1 . VAL 57 57 52047 1 . THR 58 58 52047 1 . GLU 59 59 52047 1 . THR 60 60 52047 1 . SER 61 61 52047 1 . ASP 62 62 52047 1 . LEU 63 63 52047 1 . GLU 64 64 52047 1 . PHE 65 65 52047 1 . ASP 66 66 52047 1 . SER 67 67 52047 1 . LEU 68 68 52047 1 . GLN 69 69 52047 1 . PRO 70 70 52047 1 . SER 71 71 52047 1 . PHE 72 72 52047 1 . TYR 73 73 52047 1 . PRO 74 74 52047 1 . ASP 75 75 52047 1 . GLU 76 76 52047 1 . ASP 77 77 52047 1 . ASP 78 78 52047 1 . PHE 79 79 52047 1 . TYR 80 80 52047 1 . PHE 81 81 52047 1 . GLY 82 82 52047 1 . GLY 83 83 52047 1 . PRO 84 84 52047 1 . ASP 85 85 52047 1 . SER 86 86 52047 1 . THR 87 87 52047 1 . PRO 88 88 52047 1 . PRO 89 89 52047 1 . GLY 90 90 52047 1 . GLU 91 91 52047 1 . ASP 92 92 52047 1 . ILE 93 93 52047 1 . TRP 94 94 52047 1 . LYS 95 95 52047 1 . LYS 96 96 52047 1 . PHE 97 97 52047 1 . GLU 98 98 52047 1 . LEU 99 99 52047 1 . LEU 100 100 52047 1 . PRO 101 101 52047 1 . THR 102 102 52047 1 . PRO 103 103 52047 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 52047 _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 . . . . . . . . . . . . . 52047 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 52047 _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 . . pETM6T1 . . . 52047 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52047 _Sample.ID 1 _Sample.Name 'GB1-N-Myc 18-59' _Sample.Type solution _Sample.Sub_type . _Sample.Details '15N/13C-labelled GB1-N-Myc 18-59' _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 'GB1-N-Myc 18-59' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 325 . . uM . . . . 52047 1 2 (K/H)3PO4 'natural abundance' . . . . . . 20 . . mM . . . . 52047 1 3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 52047 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 52047 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Standard NMR phosphate buffer pH 6.5' _Sample_condition_list.Details '20 mM (K/H)3PO4, 150 mM NaCl, pH 6.5' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.2 . M 52047 1 pH 6.5 . pH 52047 1 pressure 1 . atm 52047 1 temperature 288 . K 52047 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52047 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 52047 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52047 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 52047 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 52047 _Software.ID 3 _Software.Type . _Software.Name CcpNMR _Software.Version 'Analysis v 2.5' _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52047 3 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 52047 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '600 MHz Oxford Instruments Magnet with Bruker Avance Console' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Oxford/Bruker _NMR_spectrometer.Model Avance _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 52047 _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 no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52047 1 2 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52047 1 3 '3D HN(CA)CO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52047 1 4 '3D HN(CO)CA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52047 1 5 '3D HNCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52047 1 6 '3D HN(CO)CACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52047 1 7 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52047 1 8 '2D 1H-13C HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52047 1 9 '3D HBHA(CO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52047 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 52047 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'GB1-N-Myc 18-59' _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 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 52047 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 na indirect 1.000000000 . . . . . 52047 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 52047 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 52047 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'GB1-N-Myc 18-59' _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' . . . 52047 1 2 '3D HNCO' . . . 52047 1 3 '3D HN(CA)CO' . . . 52047 1 4 '3D HN(CO)CA' . . . 52047 1 5 '3D HNCA' . . . 52047 1 6 '3D HN(CO)CACB' . . . 52047 1 7 '3D HNCACB' . . . 52047 1 8 '2D 1H-13C HSQC' . . . 52047 1 9 '3D HBHA(CO)NH' . . . 52047 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 . . 52047 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 1 1 GLY HA2 H 1 3.852 . . 2 . . . . . 1 G HA# . 52047 1 2 . 1 . 1 1 1 GLY HA3 H 1 3.852 . . 2 . . . . . 1 G HA# . 52047 1 3 . 1 . 1 1 1 GLY C C 13 169.770 . . 1 . . . . . 1 G C . 52047 1 4 . 1 . 1 1 1 GLY CA C 13 43.391 . . 1 . . . . . 1 G CA . 52047 1 5 . 1 . 1 2 2 ALA H H 1 8.628 . . 1 . . . . . 2 A HN . 52047 1 6 . 1 . 1 2 2 ALA HA H 1 4.372 . . 1 . . . . . 2 A HA . 52047 1 7 . 1 . 1 2 2 ALA HB1 H 1 1.399 . . 1 . . . . . 2 A HB# . 52047 1 8 . 1 . 1 2 2 ALA HB2 H 1 1.399 . . 1 . . . . . 2 A HB# . 52047 1 9 . 1 . 1 2 2 ALA HB3 H 1 1.399 . . 1 . . . . . 2 A HB# . 52047 1 10 . 1 . 1 2 2 ALA C C 13 177.334 . . 1 . . . . . 2 A C . 52047 1 11 . 1 . 1 2 2 ALA CA C 13 52.311 . . 1 . . . . . 2 A CA . 52047 1 12 . 1 . 1 2 2 ALA CB C 13 19.671 . . 1 . . . . . 2 A CB . 52047 1 13 . 1 . 1 2 2 ALA N N 15 123.651 . . 1 . . . . . 2 A N . 52047 1 14 . 1 . 1 3 3 MET H H 1 8.379 . . 1 . . . . . 3 M HN . 52047 1 15 . 1 . 1 3 3 MET HA H 1 4.366 . . 1 . . . . . 3 M HA . 52047 1 16 . 1 . 1 3 3 MET HB2 H 1 1.978 . . 2 . . . . . 3 M HB1 . 52047 1 17 . 1 . 1 3 3 MET HB3 H 1 1.819 . . 2 . . . . . 3 M HB2 . 52047 1 18 . 1 . 1 3 3 MET HE1 H 1 2.013 . . 1 . . . . . 3 M HE# . 52047 1 19 . 1 . 1 3 3 MET HE2 H 1 2.013 . . 1 . . . . . 3 M HE# . 52047 1 20 . 1 . 1 3 3 MET HE3 H 1 2.013 . . 1 . . . . . 3 M HE# . 52047 1 21 . 1 . 1 3 3 MET C C 13 175.446 . . 1 . . . . . 3 M C . 52047 1 22 . 1 . 1 3 3 MET CA C 13 55.433 . . 1 . . . . . 3 M CA . 52047 1 23 . 1 . 1 3 3 MET CB C 13 33.853 . . 1 . . . . . 3 M CB . 52047 1 24 . 1 . 1 3 3 MET CE C 13 17.414 . . 1 . . . . . 3 M CE . 52047 1 25 . 1 . 1 3 3 MET N N 15 118.981 . . 1 . . . . . 3 M N . 52047 1 26 . 1 . 1 4 4 ALA H H 1 8.485 . . 1 . . . . . 4 A HN . 52047 1 27 . 1 . 1 4 4 ALA HA H 1 4.578 . . 1 . . . . . 4 A HA . 52047 1 28 . 1 . 1 4 4 ALA HB1 H 1 1.251 . . 1 . . . . . 4 A HB# . 52047 1 29 . 1 . 1 4 4 ALA HB2 H 1 1.251 . . 1 . . . . . 4 A HB# . 52047 1 30 . 1 . 1 4 4 ALA HB3 H 1 1.251 . . 1 . . . . . 4 A HB# . 52047 1 31 . 1 . 1 4 4 ALA C C 13 174.608 . . 1 . . . . . 4 A C . 52047 1 32 . 1 . 1 4 4 ALA CA C 13 50.824 . . 1 . . . . . 4 A CA . 52047 1 33 . 1 . 1 4 4 ALA CB C 13 21.798 . . 1 . . . . . 4 A CB . 52047 1 34 . 1 . 1 4 4 ALA N N 15 125.723 . . 1 . . . . . 4 A N . 52047 1 35 . 1 . 1 5 5 GLN H H 1 8.127 . . 1 . . . . . 5 Q HN . 52047 1 36 . 1 . 1 5 5 GLN HA H 1 4.903 . . 1 . . . . . 5 Q HA . 52047 1 37 . 1 . 1 5 5 GLN HB2 H 1 1.979 . . 2 . . . . . 5 Q HB# . 52047 1 38 . 1 . 1 5 5 GLN HB3 H 1 1.979 . . 2 . . . . . 5 Q HB# . 52047 1 39 . 1 . 1 5 5 GLN HE21 H 1 6.932 . . 1 . . . . . 5 Q HE21 . 52047 1 40 . 1 . 1 5 5 GLN HE22 H 1 7.852 . . 1 . . . . . 5 Q HE22 . 52047 1 41 . 1 . 1 5 5 GLN C C 13 175.333 . . 1 . . . . . 5 Q C . 52047 1 42 . 1 . 1 5 5 GLN CA C 13 55.529 . . 1 . . . . . 5 Q CA . 52047 1 43 . 1 . 1 5 5 GLN CB C 13 30.745 . . 1 . . . . . 5 Q CB . 52047 1 44 . 1 . 1 5 5 GLN N N 15 118.052 . . 1 . . . . . 5 Q N . 52047 1 45 . 1 . 1 5 5 GLN NE2 N 15 112.738 . . 1 . . . . . 5 Q NE2 . 52047 1 46 . 1 . 1 6 6 TYR H H 1 9.353 . . 1 . . . . . 6 Y HN . 52047 1 47 . 1 . 1 6 6 TYR HA H 1 5.346 . . 1 . . . . . 6 Y HA . 52047 1 48 . 1 . 1 6 6 TYR HB2 H 1 3.358 . . 2 . . . . . 6 Y HB1 . 52047 1 49 . 1 . 1 6 6 TYR HB3 H 1 2.814 . . 2 . . . . . 6 Y HB2 . 52047 1 50 . 1 . 1 6 6 TYR C C 13 175.058 . . 1 . . . . . 6 Y C . 52047 1 51 . 1 . 1 6 6 TYR CA C 13 57.144 . . 1 . . . . . 6 Y CA . 52047 1 52 . 1 . 1 6 6 TYR CB C 13 43.037 . . 1 . . . . . 6 Y CB . 52047 1 53 . 1 . 1 6 6 TYR N N 15 125.792 . . 1 . . . . . 6 Y N . 52047 1 54 . 1 . 1 7 7 LYS H H 1 9.181 . . 1 . . . . . 7 K HN . 52047 1 55 . 1 . 1 7 7 LYS HA H 1 5.219 . . 1 . . . . . 7 K HA . 52047 1 56 . 1 . 1 7 7 LYS HB2 H 1 1.926 . . 2 . . . . . 7 K HB1 . 52047 1 57 . 1 . 1 7 7 LYS HB3 H 1 1.927 . . 2 . . . . . 7 K HB2 . 52047 1 58 . 1 . 1 7 7 LYS C C 13 173.113 . . 1 . . . . . 7 K C . 52047 1 59 . 1 . 1 7 7 LYS CA C 13 55.291 . . 1 . . . . . 7 K CA . 52047 1 60 . 1 . 1 7 7 LYS CB C 13 36.172 . . 1 . . . . . 7 K CB . 52047 1 61 . 1 . 1 7 7 LYS N N 15 121.936 . . 1 . . . . . 7 K N . 52047 1 62 . 1 . 1 8 8 LEU H H 1 8.512 . . 1 . . . . . 8 L HN . 52047 1 63 . 1 . 1 8 8 LEU HA H 1 4.890 . . 1 . . . . . 8 L HA . 52047 1 64 . 1 . 1 8 8 LEU HB2 H 1 0.800 . . 2 . . . . . 8 L HB2 . 52047 1 65 . 1 . 1 8 8 LEU C C 13 174.177 . . 1 . . . . . 8 L C . 52047 1 66 . 1 . 1 8 8 LEU CA C 13 52.654 . . 1 . . . . . 8 L CA . 52047 1 67 . 1 . 1 8 8 LEU CB C 13 42.377 . . 1 . . . . . 8 L CB . 52047 1 68 . 1 . 1 8 8 LEU N N 15 125.713 . . 1 . . . . . 8 L N . 52047 1 69 . 1 . 1 9 9 ALA H H 1 9.252 . . 1 . . . . . 9 A HN . 52047 1 70 . 1 . 1 9 9 ALA HA H 1 4.744 . . 1 . . . . . 9 A HA . 52047 1 71 . 1 . 1 9 9 ALA HB1 H 1 1.280 . . 1 . . . . . 9 A HB# . 52047 1 72 . 1 . 1 9 9 ALA HB2 H 1 1.280 . . 1 . . . . . 9 A HB# . 52047 1 73 . 1 . 1 9 9 ALA HB3 H 1 1.280 . . 1 . . . . . 9 A HB# . 52047 1 74 . 1 . 1 9 9 ALA C C 13 175.148 . . 1 . . . . . 9 A C . 52047 1 75 . 1 . 1 9 9 ALA CA C 13 50.662 . . 1 . . . . . 9 A CA . 52047 1 76 . 1 . 1 9 9 ALA CB C 13 19.680 . . 1 . . . . . 9 A CB . 52047 1 77 . 1 . 1 9 9 ALA N N 15 130.028 . . 1 . . . . . 9 A N . 52047 1 78 . 1 . 1 10 10 LEU H H 1 8.550 . . 1 . . . . . 10 L HN . 52047 1 79 . 1 . 1 10 10 LEU HA H 1 4.471 . . 1 . . . . . 10 L HA . 52047 1 80 . 1 . 1 10 10 LEU HB2 H 1 1.406 . . 2 . . . . . 10 L HB# . 52047 1 81 . 1 . 1 10 10 LEU HB3 H 1 1.406 . . 2 . . . . . 10 L HB# . 52047 1 82 . 1 . 1 10 10 LEU C C 13 175.305 . . 1 . . . . . 10 L C . 52047 1 83 . 1 . 1 10 10 LEU CA C 13 54.493 . . 1 . . . . . 10 L CA . 52047 1 84 . 1 . 1 10 10 LEU CB C 13 42.510 . . 1 . . . . . 10 L CB . 52047 1 85 . 1 . 1 10 10 LEU N N 15 122.177 . . 1 . . . . . 10 L N . 52047 1 86 . 1 . 1 11 11 ASN H H 1 8.866 . . 1 . . . . . 11 N HN . 52047 1 87 . 1 . 1 11 11 ASN HA H 1 5.174 . . 1 . . . . . 11 N HA . 52047 1 88 . 1 . 1 11 11 ASN HB2 H 1 2.883 . . 2 . . . . . 11 N HB1 . 52047 1 89 . 1 . 1 11 11 ASN HB3 H 1 2.613 . . 2 . . . . . 11 N HB2 . 52047 1 90 . 1 . 1 11 11 ASN HD21 H 1 6.905 . . 1 . . . . . 11 N HD21 . 52047 1 91 . 1 . 1 11 11 ASN HD22 H 1 7.163 . . 1 . . . . . 11 N HD22 . 52047 1 92 . 1 . 1 11 11 ASN C C 13 174.996 . . 1 . . . . . 11 N C . 52047 1 93 . 1 . 1 11 11 ASN CA C 13 51.581 . . 1 . . . . . 11 N CA . 52047 1 94 . 1 . 1 11 11 ASN CB C 13 38.527 . . 1 . . . . . 11 N CB . 52047 1 95 . 1 . 1 11 11 ASN N N 15 125.480 . . 1 . . . . . 11 N N . 52047 1 96 . 1 . 1 11 11 ASN ND2 N 15 111.973 . . 1 . . . . . 11 N ND2 . 52047 1 97 . 1 . 1 12 12 GLY H H 1 8.007 . . 1 . . . . . 12 G HN . 52047 1 98 . 1 . 1 12 12 GLY HA2 H 1 4.396 . . 2 . . . . . 12 G HA1 . 52047 1 99 . 1 . 1 12 12 GLY HA3 H 1 4.015 . . 2 . . . . . 12 G HA2 . 52047 1 100 . 1 . 1 12 12 GLY C C 13 173.391 . . 1 . . . . . 12 G C . 52047 1 101 . 1 . 1 12 12 GLY CA C 13 44.757 . . 1 . . . . . 12 G CA . 52047 1 102 . 1 . 1 12 12 GLY N N 15 110.325 . . 1 . . . . . 12 G N . 52047 1 103 . 1 . 1 13 13 LYS H H 1 9.193 . . 1 . . . . . 13 K HN . 52047 1 104 . 1 . 1 13 13 LYS HA H 1 4.028 . . 1 . . . . . 13 K HA . 52047 1 105 . 1 . 1 13 13 LYS HB2 H 1 1.801 . . 2 . . . . . 13 K HB# . 52047 1 106 . 1 . 1 13 13 LYS HB3 H 1 1.801 . . 2 . . . . . 13 K HB# . 52047 1 107 . 1 . 1 13 13 LYS C C 13 178.628 . . 1 . . . . . 13 K C . 52047 1 108 . 1 . 1 13 13 LYS CA C 13 59.163 . . 1 . . . . . 13 K CA . 52047 1 109 . 1 . 1 13 13 LYS CB C 13 32.677 . . 1 . . . . . 13 K CB . 52047 1 110 . 1 . 1 13 13 LYS N N 15 121.188 . . 1 . . . . . 13 K N . 52047 1 111 . 1 . 1 14 14 THR H H 1 8.850 . . 1 . . . . . 14 T HN . 52047 1 112 . 1 . 1 14 14 THR HA H 1 4.343 . . 1 . . . . . 14 T HA . 52047 1 113 . 1 . 1 14 14 THR HB H 1 4.210 . . 1 . . . . . 14 T HB . 52047 1 114 . 1 . 1 14 14 THR C C 13 173.922 . . 1 . . . . . 14 T C . 52047 1 115 . 1 . 1 14 14 THR CA C 13 62.110 . . 1 . . . . . 14 T CA . 52047 1 116 . 1 . 1 14 14 THR CB C 13 69.686 . . 1 . . . . . 14 T CB . 52047 1 117 . 1 . 1 14 14 THR N N 15 109.367 . . 1 . . . . . 14 T N . 52047 1 118 . 1 . 1 15 15 LEU H H 1 7.398 . . 1 . . . . . 15 L HN . 52047 1 119 . 1 . 1 15 15 LEU HA H 1 4.436 . . 1 . . . . . 15 L HA . 52047 1 120 . 1 . 1 15 15 LEU HB2 H 1 1.518 . . 2 . . . . . 15 L HB1 . 52047 1 121 . 1 . 1 15 15 LEU HB3 H 1 1.420 . . 2 . . . . . 15 L HB2 . 52047 1 122 . 1 . 1 15 15 LEU C C 13 173.635 . . 1 . . . . . 15 L C . 52047 1 123 . 1 . 1 15 15 LEU CA C 13 55.165 . . 1 . . . . . 15 L CA . 52047 1 124 . 1 . 1 15 15 LEU CB C 13 43.549 . . 1 . . . . . 15 L CB . 52047 1 125 . 1 . 1 15 15 LEU N N 15 124.881 . . 1 . . . . . 15 L N . 52047 1 126 . 1 . 1 16 16 LYS H H 1 8.232 . . 1 . . . . . 16 K HN . 52047 1 127 . 1 . 1 16 16 LYS HA H 1 5.024 . . 1 . . . . . 16 K HA . 52047 1 128 . 1 . 1 16 16 LYS HB2 H 1 1.838 . . 2 . . . . . 16 K HB1 . 52047 1 129 . 1 . 1 16 16 LYS HB3 H 1 1.713 . . 2 . . . . . 16 K HB2 . 52047 1 130 . 1 . 1 16 16 LYS C C 13 176.220 . . 1 . . . . . 16 K C . 52047 1 131 . 1 . 1 16 16 LYS CA C 13 54.190 . . 1 . . . . . 16 K CA . 52047 1 132 . 1 . 1 16 16 LYS CB C 13 34.851 . . 1 . . . . . 16 K CB . 52047 1 133 . 1 . 1 16 16 LYS N N 15 124.242 . . 1 . . . . . 16 K N . 52047 1 134 . 1 . 1 17 17 GLY H H 1 8.446 . . 1 . . . . . 17 G HN . 52047 1 135 . 1 . 1 17 17 GLY HA2 H 1 4.178 . . 2 . . . . . 17 G HA2 . 52047 1 136 . 1 . 1 17 17 GLY C C 13 171.698 . . 1 . . . . . 17 G C . 52047 1 137 . 1 . 1 17 17 GLY CA C 13 45.103 . . 1 . . . . . 17 G CA . 52047 1 138 . 1 . 1 17 17 GLY N N 15 109.927 . . 1 . . . . . 17 G N . 52047 1 139 . 1 . 1 18 18 GLU H H 1 8.513 . . 1 . . . . . 18 E HN . 52047 1 140 . 1 . 1 18 18 GLU HA H 1 5.585 . . 1 . . . . . 18 E HA . 52047 1 141 . 1 . 1 18 18 GLU HB2 H 1 1.972 . . 2 . . . . . 18 E HB1 . 52047 1 142 . 1 . 1 18 18 GLU HB3 H 1 1.904 . . 2 . . . . . 18 E HB2 . 52047 1 143 . 1 . 1 18 18 GLU C C 13 175.414 . . 1 . . . . . 18 E C . 52047 1 144 . 1 . 1 18 18 GLU CA C 13 54.780 . . 1 . . . . . 18 E CA . 52047 1 145 . 1 . 1 18 18 GLU CB C 13 33.857 . . 1 . . . . . 18 E CB . 52047 1 146 . 1 . 1 18 18 GLU N N 15 119.566 . . 1 . . . . . 18 E N . 52047 1 147 . 1 . 1 19 19 THR H H 1 8.567 . . 1 . . . . . 19 T HN . 52047 1 148 . 1 . 1 19 19 THR HA H 1 4.696 . . 1 . . . . . 19 T HA . 52047 1 149 . 1 . 1 19 19 THR HB H 1 3.839 . . 1 . . . . . 19 T HB . 52047 1 150 . 1 . 1 19 19 THR C C 13 172.205 . . 1 . . . . . 19 T C . 52047 1 151 . 1 . 1 19 19 THR CA C 13 60.497 . . 1 . . . . . 19 T CA . 52047 1 152 . 1 . 1 19 19 THR CB C 13 69.763 . . 1 . . . . . 19 T CB . 52047 1 153 . 1 . 1 19 19 THR N N 15 115.870 . . 1 . . . . . 19 T N . 52047 1 154 . 1 . 1 20 20 THR H H 1 8.100 . . 1 . . . . . 20 T HN . 52047 1 155 . 1 . 1 20 20 THR HA H 1 5.803 . . 1 . . . . . 20 T HA . 52047 1 156 . 1 . 1 20 20 THR HB H 1 4.286 . . 1 . . . . . 20 T HB . 52047 1 157 . 1 . 1 20 20 THR C C 13 174.104 . . 1 . . . . . 20 T C . 52047 1 158 . 1 . 1 20 20 THR CA C 13 59.991 . . 1 . . . . . 20 T CA . 52047 1 159 . 1 . 1 20 20 THR CB C 13 73.346 . . 1 . . . . . 20 T CB . 52047 1 160 . 1 . 1 20 20 THR N N 15 111.852 . . 1 . . . . . 20 T N . 52047 1 161 . 1 . 1 21 21 THR H H 1 9.014 . . 1 . . . . . 21 T HN . 52047 1 162 . 1 . 1 21 21 THR HA H 1 4.658 . . 1 . . . . . 21 T HA . 52047 1 163 . 1 . 1 21 21 THR HB H 1 3.866 . . 1 . . . . . 21 T HB . 52047 1 164 . 1 . 1 21 21 THR C C 13 171.189 . . 1 . . . . . 21 T C . 52047 1 165 . 1 . 1 21 21 THR CA C 13 62.368 . . 1 . . . . . 21 T CA . 52047 1 166 . 1 . 1 21 21 THR CB C 13 69.887 . . 1 . . . . . 21 T CB . 52047 1 167 . 1 . 1 21 21 THR N N 15 115.242 . . 1 . . . . . 21 T N . 52047 1 168 . 1 . 1 22 22 GLU H H 1 8.058 . . 1 . . . . . 22 E HN . 52047 1 169 . 1 . 1 22 22 GLU HA H 1 5.555 . . 1 . . . . . 22 E HA . 52047 1 170 . 1 . 1 22 22 GLU HB2 H 1 1.905 . . 2 . . . . . 22 E HB# . 52047 1 171 . 1 . 1 22 22 GLU HB3 H 1 1.905 . . 2 . . . . . 22 E HB# . 52047 1 172 . 1 . 1 22 22 GLU C C 13 176.075 . . 1 . . . . . 22 E C . 52047 1 173 . 1 . 1 22 22 GLU CA C 13 54.915 . . 1 . . . . . 22 E CA . 52047 1 174 . 1 . 1 22 22 GLU CB C 13 31.313 . . 1 . . . . . 22 E CB . 52047 1 175 . 1 . 1 22 22 GLU N N 15 124.490 . . 1 . . . . . 22 E N . 52047 1 176 . 1 . 1 23 23 ALA H H 1 9.267 . . 1 . . . . . 23 A HN . 52047 1 177 . 1 . 1 23 23 ALA HA H 1 4.904 . . 1 . . . . . 23 A HA . 52047 1 178 . 1 . 1 23 23 ALA HB1 H 1 1.323 . . 1 . . . . . 23 A HB# . 52047 1 179 . 1 . 1 23 23 ALA HB2 H 1 1.323 . . 1 . . . . . 23 A HB# . 52047 1 180 . 1 . 1 23 23 ALA HB3 H 1 1.323 . . 1 . . . . . 23 A HB# . 52047 1 181 . 1 . 1 23 23 ALA C C 13 177.529 . . 1 . . . . . 23 A C . 52047 1 182 . 1 . 1 23 23 ALA CA C 13 51.404 . . 1 . . . . . 23 A CA . 52047 1 183 . 1 . 1 23 23 ALA CB C 13 23.856 . . 1 . . . . . 23 A CB . 52047 1 184 . 1 . 1 23 23 ALA N N 15 124.953 . . 1 . . . . . 23 A N . 52047 1 185 . 1 . 1 24 24 VAL H H 1 8.637 . . 1 . . . . . 24 V HN . 52047 1 186 . 1 . 1 24 24 VAL HA H 1 4.279 . . 1 . . . . . 24 V HA . 52047 1 187 . 1 . 1 24 24 VAL HB H 1 2.235 . . 1 . . . . . 24 V HB . 52047 1 188 . 1 . 1 24 24 VAL C C 13 174.987 . . 1 . . . . . 24 V C . 52047 1 189 . 1 . 1 24 24 VAL CA C 13 63.010 . . 1 . . . . . 24 V CA . 52047 1 190 . 1 . 1 24 24 VAL CB C 13 32.217 . . 1 . . . . . 24 V CB . 52047 1 191 . 1 . 1 24 24 VAL N N 15 114.738 . . 1 . . . . . 24 V N . 52047 1 192 . 1 . 1 25 25 ASP H H 1 7.360 . . 1 . . . . . 25 D HN . 52047 1 193 . 1 . 1 25 25 ASP HA H 1 4.632 . . 1 . . . . . 25 D HA . 52047 1 194 . 1 . 1 25 25 ASP HB2 H 1 3.032 . . 2 . . . . . 25 D HB# . 52047 1 195 . 1 . 1 25 25 ASP HB3 H 1 3.032 . . 2 . . . . . 25 D HB# . 52047 1 196 . 1 . 1 25 25 ASP C C 13 174.474 . . 1 . . . . . 25 D C . 52047 1 197 . 1 . 1 25 25 ASP CA C 13 52.792 . . 1 . . . . . 25 D CA . 52047 1 198 . 1 . 1 25 25 ASP CB C 13 41.891 . . 1 . . . . . 25 D CB . 52047 1 199 . 1 . 1 25 25 ASP N N 15 115.056 . . 1 . . . . . 25 D N . 52047 1 200 . 1 . 1 26 26 ALA H H 1 8.402 . . 1 . . . . . 26 A HN . 52047 1 201 . 1 . 1 26 26 ALA HA H 1 3.425 . . 1 . . . . . 26 A HA . 52047 1 202 . 1 . 1 26 26 ALA HB1 H 1 1.201 . . 1 . . . . . 26 A HB# . 52047 1 203 . 1 . 1 26 26 ALA HB2 H 1 1.201 . . 1 . . . . . 26 A HB# . 52047 1 204 . 1 . 1 26 26 ALA HB3 H 1 1.201 . . 1 . . . . . 26 A HB# . 52047 1 205 . 1 . 1 26 26 ALA C C 13 179.164 . . 1 . . . . . 26 A C . 52047 1 206 . 1 . 1 26 26 ALA CA C 13 54.630 . . 1 . . . . . 26 A CA . 52047 1 207 . 1 . 1 26 26 ALA CB C 13 17.488 . . 1 . . . . . 26 A CB . 52047 1 208 . 1 . 1 26 26 ALA N N 15 121.347 . . 1 . . . . . 26 A N . 52047 1 209 . 1 . 1 27 27 ALA H H 1 8.108 . . 1 . . . . . 27 A HN . 52047 1 210 . 1 . 1 27 27 ALA HA H 1 3.948 . . 1 . . . . . 27 A HA . 52047 1 211 . 1 . 1 27 27 ALA HB1 H 1 1.271 . . 1 . . . . . 27 A HB# . 52047 1 212 . 1 . 1 27 27 ALA HB2 H 1 1.271 . . 1 . . . . . 27 A HB# . 52047 1 213 . 1 . 1 27 27 ALA HB3 H 1 1.271 . . 1 . . . . . 27 A HB# . 52047 1 214 . 1 . 1 27 27 ALA C C 13 180.964 . . 1 . . . . . 27 A C . 52047 1 215 . 1 . 1 27 27 ALA CA C 13 54.783 . . 1 . . . . . 27 A CA . 52047 1 216 . 1 . 1 27 27 ALA CB C 13 17.896 . . 1 . . . . . 27 A CB . 52047 1 217 . 1 . 1 27 27 ALA N N 15 120.405 . . 1 . . . . . 27 A N . 52047 1 218 . 1 . 1 28 28 THR H H 1 8.328 . . 1 . . . . . 28 T HN . 52047 1 219 . 1 . 1 28 28 THR HA H 1 3.674 . . 1 . . . . . 28 T HA . 52047 1 220 . 1 . 1 28 28 THR HB H 1 3.989 . . 1 . . . . . 28 T HB . 52047 1 221 . 1 . 1 28 28 THR C C 13 176.204 . . 1 . . . . . 28 T C . 52047 1 222 . 1 . 1 28 28 THR CA C 13 66.931 . . 1 . . . . . 28 T CA . 52047 1 223 . 1 . 1 28 28 THR CB C 13 67.974 . . 1 . . . . . 28 T CB . 52047 1 224 . 1 . 1 28 28 THR N N 15 116.583 . . 1 . . . . . 28 T N . 52047 1 225 . 1 . 1 29 29 ALA H H 1 6.964 . . 1 . . . . . 29 A HN . 52047 1 226 . 1 . 1 29 29 ALA HA H 1 3.116 . . 1 . . . . . 29 A HA . 52047 1 227 . 1 . 1 29 29 ALA HB1 H 1 0.530 . . 1 . . . . . 29 A HB# . 52047 1 228 . 1 . 1 29 29 ALA HB2 H 1 0.530 . . 1 . . . . . 29 A HB# . 52047 1 229 . 1 . 1 29 29 ALA HB3 H 1 0.530 . . 1 . . . . . 29 A HB# . 52047 1 230 . 1 . 1 29 29 ALA C C 13 177.119 . . 1 . . . . . 29 A C . 52047 1 231 . 1 . 1 29 29 ALA CA C 13 54.892 . . 1 . . . . . 29 A CA . 52047 1 232 . 1 . 1 29 29 ALA CB C 13 17.431 . . 1 . . . . . 29 A CB . 52047 1 233 . 1 . 1 29 29 ALA N N 15 123.819 . . 1 . . . . . 29 A N . 52047 1 234 . 1 . 1 30 30 GLU H H 1 8.453 . . 1 . . . . . 30 E HN . 52047 1 235 . 1 . 1 30 30 GLU HA H 1 2.606 . . 1 . . . . . 30 E HA . 52047 1 236 . 1 . 1 30 30 GLU HB2 H 1 1.939 . . 2 . . . . . 30 E HB1 . 52047 1 237 . 1 . 1 30 30 GLU HB3 H 1 1.823 . . 2 . . . . . 30 E HB2 . 52047 1 238 . 1 . 1 30 30 GLU C C 13 177.323 . . 1 . . . . . 30 E C . 52047 1 239 . 1 . 1 30 30 GLU CA C 13 59.680 . . 1 . . . . . 30 E CA . 52047 1 240 . 1 . 1 30 30 GLU CB C 13 29.231 . . 1 . . . . . 30 E CB . 52047 1 241 . 1 . 1 30 30 GLU N N 15 116.937 . . 1 . . . . . 30 E N . 52047 1 242 . 1 . 1 31 31 LYS H H 1 6.991 . . 1 . . . . . 31 K HN . 52047 1 243 . 1 . 1 31 31 LYS HA H 1 3.713 . . 1 . . . . . 31 K HA . 52047 1 244 . 1 . 1 31 31 LYS HB2 H 1 1.810 . . 2 . . . . . 31 K HB# . 52047 1 245 . 1 . 1 31 31 LYS HB3 H 1 1.810 . . 2 . . . . . 31 K HB# . 52047 1 246 . 1 . 1 31 31 LYS C C 13 180.052 . . 1 . . . . . 31 K C . 52047 1 247 . 1 . 1 31 31 LYS CA C 13 59.782 . . 1 . . . . . 31 K CA . 52047 1 248 . 1 . 1 31 31 LYS CB C 13 32.339 . . 1 . . . . . 31 K CB . 52047 1 249 . 1 . 1 31 31 LYS N N 15 116.644 . . 1 . . . . . 31 K N . 52047 1 250 . 1 . 1 32 32 VAL H H 1 7.248 . . 1 . . . . . 32 V HN . 52047 1 251 . 1 . 1 32 32 VAL HA H 1 3.607 . . 1 . . . . . 32 V HA . 52047 1 252 . 1 . 1 32 32 VAL HB H 1 1.754 . . 1 . . . . . 32 V HB . 52047 1 253 . 1 . 1 32 32 VAL C C 13 179.846 . . 1 . . . . . 32 V C . 52047 1 254 . 1 . 1 32 32 VAL CA C 13 66.014 . . 1 . . . . . 32 V CA . 52047 1 255 . 1 . 1 32 32 VAL CB C 13 31.780 . . 1 . . . . . 32 V CB . 52047 1 256 . 1 . 1 32 32 VAL N N 15 120.822 . . 1 . . . . . 32 V N . 52047 1 257 . 1 . 1 33 33 PHE H H 1 8.426 . . 1 . . . . . 33 F HN . 52047 1 258 . 1 . 1 33 33 PHE HA H 1 4.769 . . 1 . . . . . 33 F HA . 52047 1 259 . 1 . 1 33 33 PHE HB2 H 1 3.360 . . 2 . . . . . 33 F HB1 . 52047 1 260 . 1 . 1 33 33 PHE HB3 H 1 2.865 . . 2 . . . . . 33 F HB2 . 52047 1 261 . 1 . 1 33 33 PHE C C 13 178.348 . . 1 . . . . . 33 F C . 52047 1 262 . 1 . 1 33 33 PHE CA C 13 56.614 . . 1 . . . . . 33 F CA . 52047 1 263 . 1 . 1 33 33 PHE CB C 13 37.438 . . 1 . . . . . 33 F CB . 52047 1 264 . 1 . 1 33 33 PHE N N 15 120.917 . . 1 . . . . . 33 F N . 52047 1 265 . 1 . 1 34 34 LYS H H 1 9.225 . . 1 . . . . . 34 K HN . 52047 1 266 . 1 . 1 34 34 LYS HA H 1 4.150 . . 1 . . . . . 34 K HA . 52047 1 267 . 1 . 1 34 34 LYS HB2 H 1 1.684 . . 2 . . . . . 34 K HB1 . 52047 1 268 . 1 . 1 34 34 LYS HB3 H 1 1.536 . . 2 . . . . . 34 K HB2 . 52047 1 269 . 1 . 1 34 34 LYS C C 13 179.577 . . 1 . . . . . 34 K C . 52047 1 270 . 1 . 1 34 34 LYS CA C 13 59.695 . . 1 . . . . . 34 K CA . 52047 1 271 . 1 . 1 34 34 LYS CB C 13 31.636 . . 1 . . . . . 34 K CB . 52047 1 272 . 1 . 1 34 34 LYS N N 15 123.131 . . 1 . . . . . 34 K N . 52047 1 273 . 1 . 1 35 35 GLN H H 1 7.459 . . 1 . . . . . 35 Q HN . 52047 1 274 . 1 . 1 35 35 GLN HA H 1 4.034 . . 1 . . . . . 35 Q HA . 52047 1 275 . 1 . 1 35 35 GLN HB2 H 1 2.229 . . 2 . . . . . 35 Q HB1 . 52047 1 276 . 1 . 1 35 35 GLN HB3 H 1 2.208 . . 2 . . . . . 35 Q HB2 . 52047 1 277 . 1 . 1 35 35 GLN HE21 H 1 7.988 . . 1 . . . . . 35 Q HE21 . 52047 1 278 . 1 . 1 35 35 GLN HE22 H 1 6.942 . . 1 . . . . . 35 Q HE22 . 52047 1 279 . 1 . 1 35 35 GLN C C 13 177.055 . . 1 . . . . . 35 Q C . 52047 1 280 . 1 . 1 35 35 GLN CA C 13 58.675 . . 1 . . . . . 35 Q CA . 52047 1 281 . 1 . 1 35 35 GLN CB C 13 28.185 . . 1 . . . . . 35 Q CB . 52047 1 282 . 1 . 1 35 35 GLN N N 15 119.923 . . 1 . . . . . 35 Q N . 52047 1 283 . 1 . 1 35 35 GLN NE2 N 15 115.937 . . 1 . . . . . 35 Q NE2 . 52047 1 284 . 1 . 1 36 36 TYR H H 1 8.238 . . 1 . . . . . 36 Y HN . 52047 1 285 . 1 . 1 36 36 TYR HA H 1 4.263 . . 1 . . . . . 36 Y HA . 52047 1 286 . 1 . 1 36 36 TYR HB2 H 1 3.302 . . 2 . . . . . 36 Y HB# . 52047 1 287 . 1 . 1 36 36 TYR HB3 H 1 3.302 . . 2 . . . . . 36 Y HB# . 52047 1 288 . 1 . 1 36 36 TYR C C 13 178.988 . . 1 . . . . . 36 Y C . 52047 1 289 . 1 . 1 36 36 TYR CA C 13 61.863 . . 1 . . . . . 36 Y CA . 52047 1 290 . 1 . 1 36 36 TYR CB C 13 38.533 . . 1 . . . . . 36 Y CB . 52047 1 291 . 1 . 1 36 36 TYR N N 15 121.091 . . 1 . . . . . 36 Y N . 52047 1 292 . 1 . 1 37 37 ALA H H 1 9.212 . . 1 . . . . . 37 A HN . 52047 1 293 . 1 . 1 37 37 ALA HA H 1 3.793 . . 1 . . . . . 37 A HA . 52047 1 294 . 1 . 1 37 37 ALA HB1 H 1 1.842 . . 1 . . . . . 37 A HB# . 52047 1 295 . 1 . 1 37 37 ALA HB2 H 1 1.842 . . 1 . . . . . 37 A HB# . 52047 1 296 . 1 . 1 37 37 ALA HB3 H 1 1.842 . . 1 . . . . . 37 A HB# . 52047 1 297 . 1 . 1 37 37 ALA C C 13 179.281 . . 1 . . . . . 37 A C . 52047 1 298 . 1 . 1 37 37 ALA CA C 13 56.248 . . 1 . . . . . 37 A CA . 52047 1 299 . 1 . 1 37 37 ALA CB C 13 17.856 . . 1 . . . . . 37 A CB . 52047 1 300 . 1 . 1 37 37 ALA N N 15 122.860 . . 1 . . . . . 37 A N . 52047 1 301 . 1 . 1 38 38 ASN H H 1 8.241 . . 1 . . . . . 38 N HN . 52047 1 302 . 1 . 1 38 38 ASN HA H 1 4.442 . . 1 . . . . . 38 N HA . 52047 1 303 . 1 . 1 38 38 ASN HB2 H 1 2.919 . . 2 . . . . . 38 N HB# . 52047 1 304 . 1 . 1 38 38 ASN HB3 H 1 2.919 . . 2 . . . . . 38 N HB# . 52047 1 305 . 1 . 1 38 38 ASN HD21 H 1 6.991 . . 1 . . . . . 38 N HD21 . 52047 1 306 . 1 . 1 38 38 ASN HD22 H 1 7.635 . . 1 . . . . . 38 N HD22 . 52047 1 307 . 1 . 1 38 38 ASN C C 13 179.281 . . 1 . . . . . 38 N C . 52047 1 308 . 1 . 1 38 38 ASN CA C 13 56.919 . . 1 . . . . . 38 N CA . 52047 1 309 . 1 . 1 38 38 ASN CB C 13 38.887 . . 1 . . . . . 38 N CB . 52047 1 310 . 1 . 1 38 38 ASN N N 15 117.688 . . 1 . . . . . 38 N N . 52047 1 311 . 1 . 1 38 38 ASN ND2 N 15 112.729 . . 1 . . . . . 38 N ND2 . 52047 1 312 . 1 . 1 39 39 ASP H H 1 8.919 . . 1 . . . . . 39 D HN . 52047 1 313 . 1 . 1 39 39 ASP HA H 1 4.341 . . 1 . . . . . 39 D HA . 52047 1 314 . 1 . 1 39 39 ASP HB2 H 1 2.697 . . 2 . . . . . 39 D HB1 . 52047 1 315 . 1 . 1 39 39 ASP HB3 H 1 2.555 . . 2 . . . . . 39 D HB2 . 52047 1 316 . 1 . 1 39 39 ASP C C 13 177.076 . . 1 . . . . . 39 D C . 52047 1 317 . 1 . 1 39 39 ASP CA C 13 56.925 . . 1 . . . . . 39 D CA . 52047 1 318 . 1 . 1 39 39 ASP CB C 13 40.048 . . 1 . . . . . 39 D CB . 52047 1 319 . 1 . 1 39 39 ASP N N 15 121.285 . . 1 . . . . . 39 D N . 52047 1 320 . 1 . 1 40 40 ASN H H 1 7.407 . . 1 . . . . . 40 N HN . 52047 1 321 . 1 . 1 40 40 ASN HA H 1 4.603 . . 1 . . . . . 40 N HA . 52047 1 322 . 1 . 1 40 40 ASN HB2 H 1 2.654 . . 2 . . . . . 40 N HB1 . 52047 1 323 . 1 . 1 40 40 ASN HB3 H 1 2.050 . . 2 . . . . . 40 N HB2 . 52047 1 324 . 1 . 1 40 40 ASN HD21 H 1 6.439 . . 1 . . . . . 40 N HD21 . 52047 1 325 . 1 . 1 40 40 ASN HD22 H 1 6.639 . . 1 . . . . . 40 N HD22 . 52047 1 326 . 1 . 1 40 40 ASN C C 13 173.979 . . 1 . . . . . 40 N C . 52047 1 327 . 1 . 1 40 40 ASN CA C 13 53.721 . . 1 . . . . . 40 N CA . 52047 1 328 . 1 . 1 40 40 ASN CB C 13 40.060 . . 1 . . . . . 40 N CB . 52047 1 329 . 1 . 1 40 40 ASN N N 15 115.716 . . 1 . . . . . 40 N N . 52047 1 330 . 1 . 1 40 40 ASN ND2 N 15 115.708 . . 1 . . . . . 40 N ND2 . 52047 1 331 . 1 . 1 41 41 GLY H H 1 7.765 . . 1 . . . . . 41 G HN . 52047 1 332 . 1 . 1 41 41 GLY HA2 H 1 3.909 . . 2 . . . . . 41 G HA# . 52047 1 333 . 1 . 1 41 41 GLY HA3 H 1 3.909 . . 2 . . . . . 41 G HA# . 52047 1 334 . 1 . 1 41 41 GLY C C 13 174.212 . . 1 . . . . . 41 G C . 52047 1 335 . 1 . 1 41 41 GLY CA C 13 47.040 . . 1 . . . . . 41 G CA . 52047 1 336 . 1 . 1 41 41 GLY N N 15 108.595 . . 1 . . . . . 41 G N . 52047 1 337 . 1 . 1 42 42 VAL H H 1 8.147 . . 1 . . . . . 42 V HN . 52047 1 338 . 1 . 1 42 42 VAL HA H 1 4.126 . . 1 . . . . . 42 V HA . 52047 1 339 . 1 . 1 42 42 VAL HB H 1 1.748 . . 1 . . . . . 42 V HB . 52047 1 340 . 1 . 1 42 42 VAL C C 13 173.899 . . 1 . . . . . 42 V C . 52047 1 341 . 1 . 1 42 42 VAL CA C 13 61.955 . . 1 . . . . . 42 V CA . 52047 1 342 . 1 . 1 42 42 VAL CB C 13 33.237 . . 1 . . . . . 42 V CB . 52047 1 343 . 1 . 1 42 42 VAL N N 15 120.693 . . 1 . . . . . 42 V N . 52047 1 344 . 1 . 1 43 43 ASP H H 1 8.606 . . 1 . . . . . 43 D HN . 52047 1 345 . 1 . 1 43 43 ASP HA H 1 4.905 . . 1 . . . . . 43 D HA . 52047 1 346 . 1 . 1 43 43 ASP HB2 H 1 2.718 . . 2 . . . . . 43 D HB1 . 52047 1 347 . 1 . 1 43 43 ASP HB3 H 1 2.577 . . 2 . . . . . 43 D HB2 . 52047 1 348 . 1 . 1 43 43 ASP C C 13 174.516 . . 1 . . . . . 43 D C . 52047 1 349 . 1 . 1 43 43 ASP CA C 13 52.541 . . 1 . . . . . 43 D CA . 52047 1 350 . 1 . 1 43 43 ASP CB C 13 43.269 . . 1 . . . . . 43 D CB . 52047 1 351 . 1 . 1 43 43 ASP N N 15 127.885 . . 1 . . . . . 43 D N . 52047 1 352 . 1 . 1 44 44 GLY H H 1 7.991 . . 1 . . . . . 44 G HN . 52047 1 353 . 1 . 1 44 44 GLY HA2 H 1 4.241 . . 2 . . . . . 44 G HA1 . 52047 1 354 . 1 . 1 44 44 GLY HA3 H 1 3.792 . . 2 . . . . . 44 G HA2 . 52047 1 355 . 1 . 1 44 44 GLY C C 13 171.858 . . 1 . . . . . 44 G C . 52047 1 356 . 1 . 1 44 44 GLY CA C 13 45.543 . . 1 . . . . . 44 G CA . 52047 1 357 . 1 . 1 44 44 GLY N N 15 107.781 . . 1 . . . . . 44 G N . 52047 1 358 . 1 . 1 45 45 GLU H H 1 8.192 . . 1 . . . . . 45 E HN . 52047 1 359 . 1 . 1 45 45 GLU HA H 1 4.699 . . 1 . . . . . 45 E HA . 52047 1 360 . 1 . 1 45 45 GLU HB2 H 1 2.047 . . 2 . . . . . 45 E HB1 . 52047 1 361 . 1 . 1 45 45 GLU HB3 H 1 1.938 . . 2 . . . . . 45 E HB2 . 52047 1 362 . 1 . 1 45 45 GLU C C 13 177.007 . . 1 . . . . . 45 E C . 52047 1 363 . 1 . 1 45 45 GLU CA C 13 55.494 . . 1 . . . . . 45 E CA . 52047 1 364 . 1 . 1 45 45 GLU CB C 13 31.457 . . 1 . . . . . 45 E CB . 52047 1 365 . 1 . 1 45 45 GLU N N 15 120.577 . . 1 . . . . . 45 E N . 52047 1 366 . 1 . 1 46 46 TRP H H 1 9.433 . . 1 . . . . . 46 W HN . 52047 1 367 . 1 . 1 46 46 TRP HA H 1 5.367 . . 1 . . . . . 46 W HA . 52047 1 368 . 1 . 1 46 46 TRP HB2 H 1 3.351 . . 2 . . . . . 46 W HB1 . 52047 1 369 . 1 . 1 46 46 TRP HB3 H 1 3.151 . . 2 . . . . . 46 W HB2 . 52047 1 370 . 1 . 1 46 46 TRP HE1 H 1 10.537 . . 1 . . . . . 46 W HE1 . 52047 1 371 . 1 . 1 46 46 TRP C C 13 177.084 . . 1 . . . . . 46 W C . 52047 1 372 . 1 . 1 46 46 TRP CA C 13 57.891 . . 1 . . . . . 46 W CA . 52047 1 373 . 1 . 1 46 46 TRP CB C 13 30.239 . . 1 . . . . . 46 W CB . 52047 1 374 . 1 . 1 46 46 TRP N N 15 128.425 . . 1 . . . . . 46 W N . 52047 1 375 . 1 . 1 46 46 TRP NE1 N 15 130.879 . . 1 . . . . . 46 W NE1 . 52047 1 376 . 1 . 1 47 47 THR H H 1 9.286 . . 1 . . . . . 47 T HN . 52047 1 377 . 1 . 1 47 47 THR HA H 1 4.812 . . 1 . . . . . 47 T HA . 52047 1 378 . 1 . 1 47 47 THR HB H 1 4.239 . . 1 . . . . . 47 T HB . 52047 1 379 . 1 . 1 47 47 THR C C 13 172.679 . . 1 . . . . . 47 T C . 52047 1 380 . 1 . 1 47 47 THR CA C 13 60.540 . . 1 . . . . . 47 T CA . 52047 1 381 . 1 . 1 47 47 THR CB C 13 72.310 . . 1 . . . . . 47 T CB . 52047 1 382 . 1 . 1 47 47 THR N N 15 114.952 . . 1 . . . . . 47 T N . 52047 1 383 . 1 . 1 48 48 TYR H H 1 8.652 . . 1 . . . . . 48 Y HN . 52047 1 384 . 1 . 1 48 48 TYR HA H 1 5.003 . . 1 . . . . . 48 Y HA . 52047 1 385 . 1 . 1 48 48 TYR HB2 H 1 2.868 . . 2 . . . . . 48 Y HB1 . 52047 1 386 . 1 . 1 48 48 TYR HB3 H 1 2.508 . . 2 . . . . . 48 Y HB2 . 52047 1 387 . 1 . 1 48 48 TYR C C 13 173.290 . . 1 . . . . . 48 Y C . 52047 1 388 . 1 . 1 48 48 TYR CA C 13 56.928 . . 1 . . . . . 48 Y CA . 52047 1 389 . 1 . 1 48 48 TYR CB C 13 41.523 . . 1 . . . . . 48 Y CB . 52047 1 390 . 1 . 1 48 48 TYR N N 15 120.803 . . 1 . . . . . 48 Y N . 52047 1 391 . 1 . 1 49 49 ASP H H 1 7.580 . . 1 . . . . . 49 D HN . 52047 1 392 . 1 . 1 49 49 ASP HA H 1 4.597 . . 1 . . . . . 49 D HA . 52047 1 393 . 1 . 1 49 49 ASP HB2 H 1 2.562 . . 2 . . . . . 49 D HB1 . 52047 1 394 . 1 . 1 49 49 ASP HB3 H 1 2.253 . . 2 . . . . . 49 D HB2 . 52047 1 395 . 1 . 1 49 49 ASP C C 13 174.441 . . 1 . . . . . 49 D C . 52047 1 396 . 1 . 1 49 49 ASP CA C 13 51.845 . . 1 . . . . . 49 D CA . 52047 1 397 . 1 . 1 49 49 ASP CB C 13 43.050 . . 1 . . . . . 49 D CB . 52047 1 398 . 1 . 1 49 49 ASP N N 15 128.406 . . 1 . . . . . 49 D N . 52047 1 399 . 1 . 1 50 50 ASP H H 1 8.569 . . 1 . . . . . 50 D HN . 52047 1 400 . 1 . 1 50 50 ASP HA H 1 4.052 . . 1 . . . . . 50 D HA . 52047 1 401 . 1 . 1 50 50 ASP HB2 H 1 2.787 . . 2 . . . . . 50 D HB1 . 52047 1 402 . 1 . 1 50 50 ASP HB3 H 1 2.534 . . 2 . . . . . 50 D HB2 . 52047 1 403 . 1 . 1 50 50 ASP C C 13 178.187 . . 1 . . . . . 50 D C . 52047 1 404 . 1 . 1 50 50 ASP CA C 13 56.366 . . 1 . . . . . 50 D CA . 52047 1 405 . 1 . 1 50 50 ASP CB C 13 41.842 . . 1 . . . . . 50 D CB . 52047 1 406 . 1 . 1 50 50 ASP N N 15 124.944 . . 1 . . . . . 50 D N . 52047 1 407 . 1 . 1 51 51 ALA H H 1 8.340 . . 1 . . . . . 51 A HN . 52047 1 408 . 1 . 1 51 51 ALA HA H 1 4.078 . . 1 . . . . . 51 A HA . 52047 1 409 . 1 . 1 51 51 ALA HB1 H 1 1.484 . . 1 . . . . . 51 A HB# . 52047 1 410 . 1 . 1 51 51 ALA HB2 H 1 1.484 . . 1 . . . . . 51 A HB# . 52047 1 411 . 1 . 1 51 51 ALA HB3 H 1 1.484 . . 1 . . . . . 51 A HB# . 52047 1 412 . 1 . 1 51 51 ALA C C 13 179.720 . . 1 . . . . . 51 A C . 52047 1 413 . 1 . 1 51 51 ALA CA C 13 55.085 . . 1 . . . . . 51 A CA . 52047 1 414 . 1 . 1 51 51 ALA CB C 13 18.382 . . 1 . . . . . 51 A CB . 52047 1 415 . 1 . 1 51 51 ALA N N 15 120.307 . . 1 . . . . . 51 A N . 52047 1 416 . 1 . 1 52 52 THR H H 1 6.991 . . 1 . . . . . 52 T HN . 52047 1 417 . 1 . 1 52 52 THR HA H 1 4.373 . . 1 . . . . . 52 T HA . 52047 1 418 . 1 . 1 52 52 THR HB H 1 4.380 . . 1 . . . . . 52 T HB . 52047 1 419 . 1 . 1 52 52 THR C C 13 175.099 . . 1 . . . . . 52 T C . 52047 1 420 . 1 . 1 52 52 THR CA C 13 60.356 . . 1 . . . . . 52 T CA . 52047 1 421 . 1 . 1 52 52 THR CB C 13 70.209 . . 1 . . . . . 52 T CB . 52047 1 422 . 1 . 1 52 52 THR N N 15 103.406 . . 1 . . . . . 52 T N . 52047 1 423 . 1 . 1 53 53 LYS H H 1 7.841 . . 1 . . . . . 53 K HN . 52047 1 424 . 1 . 1 53 53 LYS HA H 1 4.090 . . 1 . . . . . 53 K HA . 52047 1 425 . 1 . 1 53 53 LYS HB2 H 1 1.941 . . 2 . . . . . 53 K HB1 . 52047 1 426 . 1 . 1 53 53 LYS HB3 H 1 1.816 . . 2 . . . . . 53 K HB2 . 52047 1 427 . 1 . 1 53 53 LYS C C 13 174.768 . . 1 . . . . . 53 K C . 52047 1 428 . 1 . 1 53 53 LYS CA C 13 57.527 . . 1 . . . . . 53 K CA . 52047 1 429 . 1 . 1 53 53 LYS CB C 13 30.554 . . 1 . . . . . 53 K CB . 52047 1 430 . 1 . 1 53 53 LYS N N 15 123.890 . . 1 . . . . . 53 K N . 52047 1 431 . 1 . 1 54 54 THR H H 1 7.307 . . 1 . . . . . 54 T HN . 52047 1 432 . 1 . 1 54 54 THR HA H 1 5.481 . . 1 . . . . . 54 T HA . 52047 1 433 . 1 . 1 54 54 THR HB H 1 3.744 . . 1 . . . . . 54 T HB . 52047 1 434 . 1 . 1 54 54 THR C C 13 175.113 . . 1 . . . . . 54 T C . 52047 1 435 . 1 . 1 54 54 THR CA C 13 62.096 . . 1 . . . . . 54 T CA . 52047 1 436 . 1 . 1 54 54 THR CB C 13 71.930 . . 1 . . . . . 54 T CB . 52047 1 437 . 1 . 1 54 54 THR N N 15 110.605 . . 1 . . . . . 54 T N . 52047 1 438 . 1 . 1 55 55 PHE H H 1 10.346 . . 1 . . . . . 55 F HN . 52047 1 439 . 1 . 1 55 55 PHE HA H 1 5.633 . . 1 . . . . . 55 F HA . 52047 1 440 . 1 . 1 55 55 PHE HB2 H 1 3.266 . . 2 . . . . . 55 F HB1 . 52047 1 441 . 1 . 1 55 55 PHE HB3 H 1 3.194 . . 2 . . . . . 55 F HB2 . 52047 1 442 . 1 . 1 55 55 PHE C C 13 174.259 . . 1 . . . . . 55 F C . 52047 1 443 . 1 . 1 55 55 PHE CA C 13 57.313 . . 1 . . . . . 55 F CA . 52047 1 444 . 1 . 1 55 55 PHE CB C 13 42.294 . . 1 . . . . . 55 F CB . 52047 1 445 . 1 . 1 55 55 PHE N N 15 131.359 . . 1 . . . . . 55 F N . 52047 1 446 . 1 . 1 56 56 THR H H 1 9.191 . . 1 . . . . . 56 T HN . 52047 1 447 . 1 . 1 56 56 THR HA H 1 5.201 . . 1 . . . . . 56 T HA . 52047 1 448 . 1 . 1 56 56 THR HB H 1 3.828 . . 1 . . . . . 56 T HB . 52047 1 449 . 1 . 1 56 56 THR C C 13 172.776 . . 1 . . . . . 56 T C . 52047 1 450 . 1 . 1 56 56 THR CA C 13 61.534 . . 1 . . . . . 56 T CA . 52047 1 451 . 1 . 1 56 56 THR CB C 13 70.831 . . 1 . . . . . 56 T CB . 52047 1 452 . 1 . 1 56 56 THR N N 15 118.208 . . 1 . . . . . 56 T N . 52047 1 453 . 1 . 1 57 57 VAL H H 1 8.081 . . 1 . . . . . 57 V HN . 52047 1 454 . 1 . 1 57 57 VAL HA H 1 4.454 . . 1 . . . . . 57 V HA . 52047 1 455 . 1 . 1 57 57 VAL HB H 1 0.025 . . 1 . . . . . 57 V HB . 52047 1 456 . 1 . 1 57 57 VAL C C 13 173.727 . . 1 . . . . . 57 V C . 52047 1 457 . 1 . 1 57 57 VAL CA C 13 58.409 . . 1 . . . . . 57 V CA . 52047 1 458 . 1 . 1 57 57 VAL CB C 13 32.431 . . 1 . . . . . 57 V CB . 52047 1 459 . 1 . 1 57 57 VAL N N 15 123.665 . . 1 . . . . . 57 V N . 52047 1 460 . 1 . 1 58 58 THR H H 1 8.451 . . 1 . . . . . 58 T HN . 52047 1 461 . 1 . 1 58 58 THR HA H 1 4.697 . . 1 . . . . . 58 T HA . 52047 1 462 . 1 . 1 58 58 THR HB H 1 3.854 . . 1 . . . . . 58 T HB . 52047 1 463 . 1 . 1 58 58 THR C C 13 174.402 . . 1 . . . . . 58 T C . 52047 1 464 . 1 . 1 58 58 THR CA C 13 60.990 . . 1 . . . . . 58 T CA . 52047 1 465 . 1 . 1 58 58 THR CB C 13 70.478 . . 1 . . . . . 58 T CB . 52047 1 466 . 1 . 1 58 58 THR N N 15 123.787 . . 1 . . . . . 58 T N . 52047 1 467 . 1 . 1 59 59 GLU H H 1 8.229 . . 1 . . . . . 59 E HN . 52047 1 468 . 1 . 1 59 59 GLU HA H 1 4.567 . . 1 . . . . . 59 E HA . 52047 1 469 . 1 . 1 59 59 GLU HB2 H 1 2.145 . . 2 . . . . . 59 E HB1 . 52047 1 470 . 1 . 1 59 59 GLU HB3 H 1 2.000 . . 2 . . . . . 59 E HB2 . 52047 1 471 . 1 . 1 59 59 GLU C C 13 175.895 . . 1 . . . . . 59 E C . 52047 1 472 . 1 . 1 59 59 GLU CA C 13 56.315 . . 1 . . . . . 59 E CA . 52047 1 473 . 1 . 1 59 59 GLU CB C 13 31.646 . . 1 . . . . . 59 E CB . 52047 1 474 . 1 . 1 59 59 GLU N N 15 128.259 . . 1 . . . . . 59 E N . 52047 1 475 . 1 . 1 60 60 THR H H 1 8.619 . . 1 . . . . . 60 T HN . 52047 1 476 . 1 . 1 60 60 THR HA H 1 4.357 . . 1 . . . . . 60 T HA . 52047 1 477 . 1 . 1 60 60 THR HB H 1 4.202 . . 1 . . . . . 60 T HB . 52047 1 478 . 1 . 1 60 60 THR C C 13 174.292 . . 1 . . . . . 60 T C . 52047 1 479 . 1 . 1 60 60 THR CA C 13 61.889 . . 1 . . . . . 60 T CA . 52047 1 480 . 1 . 1 60 60 THR CB C 13 69.955 . . 1 . . . . . 60 T CB . 52047 1 481 . 1 . 1 60 60 THR N N 15 118.503 . . 1 . . . . . 60 T N . 52047 1 482 . 1 . 1 61 61 SER H H 1 8.527 . . 1 . . . . . 61 S HN . 52047 1 483 . 1 . 1 61 61 SER HA H 1 4.483 . . 1 . . . . . 61 S HA . 52047 1 484 . 1 . 1 61 61 SER HB2 H 1 3.842 . . 2 . . . . . 61 S HB2 . 52047 1 485 . 1 . 1 61 61 SER C C 13 174.104 . . 1 . . . . . 61 S C . 52047 1 486 . 1 . 1 61 61 SER CA C 13 58.201 . . 1 . . . . . 61 S CA . 52047 1 487 . 1 . 1 61 61 SER CB C 13 64.114 . . 1 . . . . . 61 S CB . 52047 1 488 . 1 . 1 61 61 SER N N 15 118.601 . . 1 . . . . . 61 S N . 52047 1 489 . 1 . 1 62 62 ASP H H 1 8.529 . . 1 . . . . . 62 D HN . 52047 1 490 . 1 . 1 62 62 ASP HA H 1 4.596 . . 1 . . . . . 62 D HA . 52047 1 491 . 1 . 1 62 62 ASP HB2 H 1 2.698 . . 2 . . . . . 62 D HB1 . 52047 1 492 . 1 . 1 62 62 ASP HB3 H 1 2.576 . . 2 . . . . . 62 D HB2 . 52047 1 493 . 1 . 1 62 62 ASP C C 13 176.106 . . 1 . . . . . 62 D C . 52047 1 494 . 1 . 1 62 62 ASP CA C 13 54.460 . . 1 . . . . . 62 D CA . 52047 1 495 . 1 . 1 62 62 ASP CB C 13 41.109 . . 1 . . . . . 62 D CB . 52047 1 496 . 1 . 1 62 62 ASP N N 15 122.917 . . 1 . . . . . 62 D N . 52047 1 497 . 1 . 1 63 63 LEU H H 1 8.211 . . 1 . . . . . 63 L HN . 52047 1 498 . 1 . 1 63 63 LEU HA H 1 4.260 . . 1 . . . . . 63 L HA . 52047 1 499 . 1 . 1 63 63 LEU HB2 H 1 1.585 . . 2 . . . . . 63 L HB1 . 52047 1 500 . 1 . 1 63 63 LEU HB3 H 1 1.480 . . 2 . . . . . 63 L HB2 . 52047 1 501 . 1 . 1 63 63 LEU C C 13 177.386 . . 1 . . . . . 63 L C . 52047 1 502 . 1 . 1 63 63 LEU CA C 13 55.334 . . 1 . . . . . 63 L CA . 52047 1 503 . 1 . 1 63 63 LEU CB C 13 42.330 . . 1 . . . . . 63 L CB . 52047 1 504 . 1 . 1 63 63 LEU N N 15 122.146 . . 1 . . . . . 63 L N . 52047 1 505 . 1 . 1 64 64 GLU H H 1 8.333 . . 1 . . . . . 64 E HN . 52047 1 506 . 1 . 1 64 64 GLU HA H 1 4.185 . . 1 . . . . . 64 E HA . 52047 1 507 . 1 . 1 64 64 GLU HB2 H 1 1.923 . . 2 . . . . . 64 E HB1 . 52047 1 508 . 1 . 1 64 64 GLU HB3 H 1 1.854 . . 2 . . . . . 64 E HB2 . 52047 1 509 . 1 . 1 64 64 GLU C C 13 176.355 . . 1 . . . . . 64 E C . 52047 1 510 . 1 . 1 64 64 GLU CA C 13 56.573 . . 1 . . . . . 64 E CA . 52047 1 511 . 1 . 1 64 64 GLU CB C 13 30.177 . . 1 . . . . . 64 E CB . 52047 1 512 . 1 . 1 64 64 GLU N N 15 121.358 . . 1 . . . . . 64 E N . 52047 1 513 . 1 . 1 65 65 PHE H H 1 8.226 . . 1 . . . . . 65 F HN . 52047 1 514 . 1 . 1 65 65 PHE HA H 1 4.546 . . 1 . . . . . 65 F HA . 52047 1 515 . 1 . 1 65 65 PHE HB2 H 1 3.118 . . 2 . . . . . 65 F HB1 . 52047 1 516 . 1 . 1 65 65 PHE HB3 H 1 3.003 . . 2 . . . . . 65 F HB2 . 52047 1 517 . 1 . 1 65 65 PHE C C 13 175.618 . . 1 . . . . . 65 F C . 52047 1 518 . 1 . 1 65 65 PHE CA C 13 57.926 . . 1 . . . . . 65 F CA . 52047 1 519 . 1 . 1 65 65 PHE CB C 13 39.708 . . 1 . . . . . 65 F CB . 52047 1 520 . 1 . 1 65 65 PHE N N 15 120.996 . . 1 . . . . . 65 F N . 52047 1 521 . 1 . 1 66 66 ASP H H 1 8.356 . . 1 . . . . . 66 D HN . 52047 1 522 . 1 . 1 66 66 ASP HA H 1 4.541 . . 1 . . . . . 66 D HA . 52047 1 523 . 1 . 1 66 66 ASP HB2 H 1 2.638 . . 2 . . . . . 66 D HB1 . 52047 1 524 . 1 . 1 66 66 ASP HB3 H 1 2.585 . . 2 . . . . . 66 D HB2 . 52047 1 525 . 1 . 1 66 66 ASP C C 13 176.283 . . 1 . . . . . 66 D C . 52047 1 526 . 1 . 1 66 66 ASP CA C 13 54.397 . . 1 . . . . . 66 D CA . 52047 1 527 . 1 . 1 66 66 ASP CB C 13 41.127 . . 1 . . . . . 66 D CB . 52047 1 528 . 1 . 1 66 66 ASP N N 15 122.077 . . 1 . . . . . 66 D N . 52047 1 529 . 1 . 1 67 67 SER H H 1 8.168 . . 1 . . . . . 67 S HN . 52047 1 530 . 1 . 1 67 67 SER HA H 1 4.306 . . 1 . . . . . 67 S HA . 52047 1 531 . 1 . 1 67 67 SER HB2 H 1 3.872 . . 2 . . . . . 67 S HB1 . 52047 1 532 . 1 . 1 67 67 SER HB3 H 1 3.836 . . 2 . . . . . 67 S HB2 . 52047 1 533 . 1 . 1 67 67 SER C C 13 174.494 . . 1 . . . . . 67 S C . 52047 1 534 . 1 . 1 67 67 SER CA C 13 58.670 . . 1 . . . . . 67 S CA . 52047 1 535 . 1 . 1 67 67 SER CB C 13 63.732 . . 1 . . . . . 67 S CB . 52047 1 536 . 1 . 1 67 67 SER N N 15 116.228 . . 1 . . . . . 67 S N . 52047 1 537 . 1 . 1 68 68 LEU H H 1 8.198 . . 1 . . . . . 68 L HN . 52047 1 538 . 1 . 1 68 68 LEU HA H 1 4.306 . . 1 . . . . . 68 L HA . 52047 1 539 . 1 . 1 68 68 LEU HB2 H 1 1.531 . . 2 . . . . . 68 L HB1 . 52047 1 540 . 1 . 1 68 68 LEU HB3 H 1 1.649 . . 2 . . . . . 68 L HB2 . 52047 1 541 . 1 . 1 68 68 LEU C C 13 177.210 . . 1 . . . . . 68 L C . 52047 1 542 . 1 . 1 68 68 LEU CA C 13 55.142 . . 1 . . . . . 68 L CA . 52047 1 543 . 1 . 1 68 68 LEU CB C 13 42.044 . . 1 . . . . . 68 L CB . 52047 1 544 . 1 . 1 68 68 LEU N N 15 123.361 . . 1 . . . . . 68 L N . 52047 1 545 . 1 . 1 69 69 GLN H H 1 8.206 . . 1 . . . . . 69 Q HN . 52047 1 546 . 1 . 1 69 69 GLN HA H 1 4.538 . . 1 . . . . . 69 Q HA . 52047 1 547 . 1 . 1 69 69 GLN HE21 H 1 6.865 . . 1 . . . . . 69 Q HE21 . 52047 1 548 . 1 . 1 69 69 GLN HE22 H 1 7.529 . . 1 . . . . . 69 Q HE22 . 52047 1 549 . 1 . 1 69 69 GLN C C 13 173.825 . . 1 . . . . . 69 Q C . 52047 1 550 . 1 . 1 69 69 GLN CA C 13 53.544 . . 1 . . . . . 69 Q CA . 52047 1 551 . 1 . 1 69 69 GLN CB C 13 28.836 . . 1 . . . . . 69 Q CB . 52047 1 552 . 1 . 1 69 69 GLN N N 15 122.132 . . 1 . . . . . 69 Q N . 52047 1 553 . 1 . 1 69 69 GLN NE2 N 15 113.189 . . 1 . . . . . 69 Q NE2 . 52047 1 554 . 1 . 1 70 70 PRO HA H 1 4.344 . . 1 . . . . . 70 P HA . 52047 1 555 . 1 . 1 70 70 PRO HB2 H 1 2.188 . . 2 . . . . . 70 P HB1 . 52047 1 556 . 1 . 1 70 70 PRO HB3 H 1 1.738 . . 2 . . . . . 70 P HB2 . 52047 1 557 . 1 . 1 70 70 PRO C C 13 176.712 . . 1 . . . . . 70 P C . 52047 1 558 . 1 . 1 70 70 PRO CA C 13 63.106 . . 1 . . . . . 70 P CA . 52047 1 559 . 1 . 1 70 70 PRO CB C 13 32.113 . . 1 . . . . . 70 P CB . 52047 1 560 . 1 . 1 71 71 SER H H 1 8.368 . . 1 . . . . . 71 S HN . 52047 1 561 . 1 . 1 71 71 SER HA H 1 4.317 . . 1 . . . . . 71 S HA . 52047 1 562 . 1 . 1 71 71 SER HB2 H 1 3.716 . . 2 . . . . . 71 S HB# . 52047 1 563 . 1 . 1 71 71 SER HB3 H 1 3.716 . . 2 . . . . . 71 S HB# . 52047 1 564 . 1 . 1 71 71 SER C C 13 173.660 . . 1 . . . . . 71 S C . 52047 1 565 . 1 . 1 71 71 SER CA C 13 58.243 . . 1 . . . . . 71 S CA . 52047 1 566 . 1 . 1 71 71 SER CB C 13 63.854 . . 1 . . . . . 71 S CB . 52047 1 567 . 1 . 1 71 71 SER N N 15 115.916 . . 1 . . . . . 71 S N . 52047 1 568 . 1 . 1 72 72 PHE H H 1 8.090 . . 1 . . . . . 72 F HN . 52047 1 569 . 1 . 1 72 72 PHE HA H 1 4.540 . . 1 . . . . . 72 F HA . 52047 1 570 . 1 . 1 72 72 PHE HB2 H 1 2.907 . . 2 . . . . . 72 F HB# . 52047 1 571 . 1 . 1 72 72 PHE HB3 H 1 2.907 . . 2 . . . . . 72 F HB# . 52047 1 572 . 1 . 1 72 72 PHE C C 13 174.460 . . 1 . . . . . 72 F C . 52047 1 573 . 1 . 1 72 72 PHE CA C 13 57.422 . . 1 . . . . . 72 F CA . 52047 1 574 . 1 . 1 72 72 PHE CB C 13 40.041 . . 1 . . . . . 72 F CB . 52047 1 575 . 1 . 1 72 72 PHE N N 15 121.870 . . 1 . . . . . 72 F N . 52047 1 576 . 1 . 1 73 73 TYR H H 1 8.218 . . 1 . . . . . 73 Y HN . 52047 1 577 . 1 . 1 73 73 TYR HA H 1 4.718 . . 1 . . . . . 73 Y HA . 52047 1 578 . 1 . 1 73 73 TYR HB2 H 1 2.997 . . 2 . . . . . 73 Y HB1 . 52047 1 579 . 1 . 1 73 73 TYR HB3 H 1 2.722 . . 2 . . . . . 73 Y HB2 . 52047 1 580 . 1 . 1 73 73 TYR C C 13 173.493 . . 1 . . . . . 73 Y C . 52047 1 581 . 1 . 1 73 73 TYR CA C 13 55.389 . . 1 . . . . . 73 Y CA . 52047 1 582 . 1 . 1 73 73 TYR CB C 13 38.517 . . 1 . . . . . 73 Y CB . 52047 1 583 . 1 . 1 73 73 TYR N N 15 123.346 . . 1 . . . . . 73 Y N . 52047 1 584 . 1 . 1 74 74 PRO HA H 1 4.300 . . 1 . . . . . 74 P HA . 52047 1 585 . 1 . 1 74 74 PRO HB2 H 1 2.207 . . 2 . . . . . 74 P HB1 . 52047 1 586 . 1 . 1 74 74 PRO HB3 H 1 1.889 . . 2 . . . . . 74 P HB2 . 52047 1 587 . 1 . 1 74 74 PRO C C 13 176.475 . . 1 . . . . . 74 P C . 52047 1 588 . 1 . 1 74 74 PRO CA C 13 63.087 . . 1 . . . . . 74 P CA . 52047 1 589 . 1 . 1 74 74 PRO CB C 13 32.071 . . 1 . . . . . 74 P CB . 52047 1 590 . 1 . 1 75 75 ASP H H 1 8.417 . . 1 . . . . . 75 D HN . 52047 1 591 . 1 . 1 75 75 ASP HA H 1 4.539 . . 1 . . . . . 75 D HA . 52047 1 592 . 1 . 1 75 75 ASP HB2 H 1 2.706 . . 2 . . . . . 75 D HB1 . 52047 1 593 . 1 . 1 75 75 ASP HB3 H 1 2.582 . . 2 . . . . . 75 D HB2 . 52047 1 594 . 1 . 1 75 75 ASP C C 13 176.384 . . 1 . . . . . 75 D C . 52047 1 595 . 1 . 1 75 75 ASP CA C 13 54.414 . . 1 . . . . . 75 D CA . 52047 1 596 . 1 . 1 75 75 ASP CB C 13 41.128 . . 1 . . . . . 75 D CB . 52047 1 597 . 1 . 1 75 75 ASP N N 15 120.456 . . 1 . . . . . 75 D N . 52047 1 598 . 1 . 1 76 76 GLU H H 1 8.349 . . 1 . . . . . 76 E HN . 52047 1 599 . 1 . 1 76 76 GLU HA H 1 4.205 . . 1 . . . . . 76 E HA . 52047 1 600 . 1 . 1 76 76 GLU HB2 H 1 2.040 . . 2 . . . . . 76 E HB1 . 52047 1 601 . 1 . 1 76 76 GLU HB3 H 1 1.901 . . 2 . . . . . 76 E HB2 . 52047 1 602 . 1 . 1 76 76 GLU C C 13 176.347 . . 1 . . . . . 76 E C . 52047 1 603 . 1 . 1 76 76 GLU CA C 13 56.700 . . 1 . . . . . 76 E CA . 52047 1 604 . 1 . 1 76 76 GLU CB C 13 30.355 . . 1 . . . . . 76 E CB . 52047 1 605 . 1 . 1 76 76 GLU N N 15 120.929 . . 1 . . . . . 76 E N . 52047 1 606 . 1 . 1 77 77 ASP H H 1 8.381 . . 1 . . . . . 77 D HN . 52047 1 607 . 1 . 1 77 77 ASP HA H 1 4.536 . . 1 . . . . . 77 D HA . 52047 1 608 . 1 . 1 77 77 ASP HB2 H 1 2.620 . . 2 . . . . . 77 D HB1 . 52047 1 609 . 1 . 1 77 77 ASP HB3 H 1 2.567 . . 2 . . . . . 77 D HB2 . 52047 1 610 . 1 . 1 77 77 ASP C C 13 176.056 . . 1 . . . . . 77 D C . 52047 1 611 . 1 . 1 77 77 ASP CA C 13 54.640 . . 1 . . . . . 77 D CA . 52047 1 612 . 1 . 1 77 77 ASP CB C 13 41.272 . . 1 . . . . . 77 D CB . 52047 1 613 . 1 . 1 77 77 ASP N N 15 121.077 . . 1 . . . . . 77 D N . 52047 1 614 . 1 . 1 78 78 ASP H H 1 8.218 . . 1 . . . . . 78 D HN . 52047 1 615 . 1 . 1 78 78 ASP HA H 1 4.485 . . 1 . . . . . 78 D HA . 52047 1 616 . 1 . 1 78 78 ASP HB2 H 1 2.573 . . 2 . . . . . 78 D HB1 . 52047 1 617 . 1 . 1 78 78 ASP HB3 H 1 2.517 . . 2 . . . . . 78 D HB2 . 52047 1 618 . 1 . 1 78 78 ASP C C 13 176.043 . . 1 . . . . . 78 D C . 52047 1 619 . 1 . 1 78 78 ASP CA C 13 54.474 . . 1 . . . . . 78 D CA . 52047 1 620 . 1 . 1 78 78 ASP CB C 13 41.058 . . 1 . . . . . 78 D CB . 52047 1 621 . 1 . 1 78 78 ASP N N 15 120.511 . . 1 . . . . . 78 D N . 52047 1 622 . 1 . 1 79 79 PHE H H 1 8.129 . . 1 . . . . . 79 F HN . 52047 1 623 . 1 . 1 79 79 PHE HA H 1 4.399 . . 1 . . . . . 79 F HA . 52047 1 624 . 1 . 1 79 79 PHE HB2 H 1 2.925 . . 2 . . . . . 79 F HB1 . 52047 1 625 . 1 . 1 79 79 PHE HB3 H 1 2.889 . . 2 . . . . . 79 F HB2 . 52047 1 626 . 1 . 1 79 79 PHE C C 13 175.328 . . 1 . . . . . 79 F C . 52047 1 627 . 1 . 1 79 79 PHE CA C 13 58.119 . . 1 . . . . . 79 F CA . 52047 1 628 . 1 . 1 79 79 PHE CB C 13 39.510 . . 1 . . . . . 79 F CB . 52047 1 629 . 1 . 1 79 79 PHE N N 15 120.612 . . 1 . . . . . 79 F N . 52047 1 630 . 1 . 1 80 80 TYR H H 1 7.998 . . 1 . . . . . 80 Y HN . 52047 1 631 . 1 . 1 80 80 TYR HA H 1 4.378 . . 1 . . . . . 80 Y HA . 52047 1 632 . 1 . 1 80 80 TYR HB2 H 1 2.821 . . 2 . . . . . 80 Y HB# . 52047 1 633 . 1 . 1 80 80 TYR HB3 H 1 2.821 . . 2 . . . . . 80 Y HB# . 52047 1 634 . 1 . 1 80 80 TYR C C 13 175.194 . . 1 . . . . . 80 Y C . 52047 1 635 . 1 . 1 80 80 TYR CA C 13 58.030 . . 1 . . . . . 80 Y CA . 52047 1 636 . 1 . 1 80 80 TYR CB C 13 38.820 . . 1 . . . . . 80 Y CB . 52047 1 637 . 1 . 1 80 80 TYR N N 15 121.533 . . 1 . . . . . 80 Y N . 52047 1 638 . 1 . 1 81 81 PHE H H 1 8.125 . . 1 . . . . . 81 F HN . 52047 1 639 . 1 . 1 81 81 PHE HA H 1 4.468 . . 1 . . . . . 81 F HA . 52047 1 640 . 1 . 1 81 81 PHE HB2 H 1 3.075 . . 2 . . . . . 81 F HB1 . 52047 1 641 . 1 . 1 81 81 PHE HB3 H 1 2.944 . . 2 . . . . . 81 F HB2 . 52047 1 642 . 1 . 1 81 81 PHE C C 13 175.757 . . 1 . . . . . 81 F C . 52047 1 643 . 1 . 1 81 81 PHE CA C 13 57.874 . . 1 . . . . . 81 F CA . 52047 1 644 . 1 . 1 81 81 PHE CB C 13 39.469 . . 1 . . . . . 81 F CB . 52047 1 645 . 1 . 1 81 81 PHE N N 15 122.884 . . 1 . . . . . 81 F N . 52047 1 646 . 1 . 1 82 82 GLY H H 1 7.786 . . 1 . . . . . 82 G HN . 52047 1 647 . 1 . 1 82 82 GLY HA2 H 1 3.809 . . 2 . . . . . 82 G HA# . 52047 1 648 . 1 . 1 82 82 GLY HA3 H 1 3.809 . . 2 . . . . . 82 G HA# . 52047 1 649 . 1 . 1 82 82 GLY C C 13 174.044 . . 1 . . . . . 82 G C . 52047 1 650 . 1 . 1 82 82 GLY CA C 13 45.168 . . 1 . . . . . 82 G CA . 52047 1 651 . 1 . 1 82 82 GLY N N 15 110.365 . . 1 . . . . . 82 G N . 52047 1 652 . 1 . 1 83 83 GLY H H 1 7.764 . . 1 . . . . . 83 G HN . 52047 1 653 . 1 . 1 83 83 GLY HA2 H 1 4.018 . . 2 . . . . . 83 G HA# . 52047 1 654 . 1 . 1 83 83 GLY HA3 H 1 4.018 . . 2 . . . . . 83 G HA# . 52047 1 655 . 1 . 1 83 83 GLY C C 13 172.202 . . 1 . . . . . 83 G C . 52047 1 656 . 1 . 1 83 83 GLY CA C 13 44.549 . . 1 . . . . . 83 G CA . 52047 1 657 . 1 . 1 83 83 GLY N N 15 108.396 . . 1 . . . . . 83 G N . 52047 1 658 . 1 . 1 84 84 PRO HA H 1 4.380 . . 1 . . . . . 84 P HA . 52047 1 659 . 1 . 1 84 84 PRO HB2 H 1 2.243 . . 2 . . . . . 84 P HB1 . 52047 1 660 . 1 . 1 84 84 PRO HB3 H 1 1.930 . . 2 . . . . . 84 P HB2 . 52047 1 661 . 1 . 1 84 84 PRO C C 13 176.989 . . 1 . . . . . 84 P C . 52047 1 662 . 1 . 1 84 84 PRO CA C 13 63.592 . . 1 . . . . . 84 P CA . 52047 1 663 . 1 . 1 84 84 PRO CB C 13 32.060 . . 1 . . . . . 84 P CB . 52047 1 664 . 1 . 1 85 85 ASP H H 1 8.503 . . 1 . . . . . 85 D HN . 52047 1 665 . 1 . 1 85 85 ASP HA H 1 4.603 . . 1 . . . . . 85 D HA . 52047 1 666 . 1 . 1 85 85 ASP HB2 H 1 2.717 . . 2 . . . . . 85 D HB1 . 52047 1 667 . 1 . 1 85 85 ASP HB3 H 1 2.595 . . 2 . . . . . 85 D HB2 . 52047 1 668 . 1 . 1 85 85 ASP C C 13 176.199 . . 1 . . . . . 85 D C . 52047 1 669 . 1 . 1 85 85 ASP CA C 13 54.370 . . 1 . . . . . 85 D CA . 52047 1 670 . 1 . 1 85 85 ASP CB C 13 40.981 . . 1 . . . . . 85 D CB . 52047 1 671 . 1 . 1 85 85 ASP N N 15 119.519 . . 1 . . . . . 85 D N . 52047 1 672 . 1 . 1 86 86 SER H H 1 8.104 . . 1 . . . . . 86 S HN . 52047 1 673 . 1 . 1 86 86 SER HA H 1 4.441 . . 1 . . . . . 86 S HA . 52047 1 674 . 1 . 1 86 86 SER HB2 H 1 3.806 . . 2 . . . . . 86 S HB2 . 52047 1 675 . 1 . 1 86 86 SER C C 13 174.223 . . 1 . . . . . 86 S C . 52047 1 676 . 1 . 1 86 86 SER CA C 13 58.237 . . 1 . . . . . 86 S CA . 52047 1 677 . 1 . 1 86 86 SER CB C 13 63.965 . . 1 . . . . . 86 S CB . 52047 1 678 . 1 . 1 86 86 SER N N 15 115.960 . . 1 . . . . . 86 S N . 52047 1 679 . 1 . 1 87 87 THR H H 1 8.236 . . 1 . . . . . 87 T HN . 52047 1 680 . 1 . 1 87 87 THR HA H 1 4.508 . . 1 . . . . . 87 T HA . 52047 1 681 . 1 . 1 87 87 THR C C 13 172.324 . . 1 . . . . . 87 T C . 52047 1 682 . 1 . 1 87 87 THR CA C 13 60.179 . . 1 . . . . . 87 T CA . 52047 1 683 . 1 . 1 87 87 THR CB C 13 69.831 . . 1 . . . . . 87 T CB . 52047 1 684 . 1 . 1 87 87 THR N N 15 119.133 . . 1 . . . . . 87 T N . 52047 1 685 . 1 . 1 89 89 PRO HA H 1 4.381 . . 1 . . . . . 89 P HA . 52047 1 686 . 1 . 1 89 89 PRO HB2 H 1 2.255 . . 2 . . . . . 89 P HB1 . 52047 1 687 . 1 . 1 89 89 PRO HB3 H 1 1.910 . . 2 . . . . . 89 P HB2 . 52047 1 688 . 1 . 1 89 89 PRO C C 13 177.569 . . 1 . . . . . 89 P C . 52047 1 689 . 1 . 1 89 89 PRO CA C 13 63.242 . . 1 . . . . . 89 P CA . 52047 1 690 . 1 . 1 89 89 PRO CB C 13 32.018 . . 1 . . . . . 89 P CB . 52047 1 691 . 1 . 1 90 90 GLY H H 1 8.478 . . 1 . . . . . 90 G HN . 52047 1 692 . 1 . 1 90 90 GLY HA2 H 1 3.923 . . 2 . . . . . 90 G HA# . 52047 1 693 . 1 . 1 90 90 GLY HA3 H 1 3.923 . . 2 . . . . . 90 G HA# . 52047 1 694 . 1 . 1 90 90 GLY C C 13 174.149 . . 1 . . . . . 90 G C . 52047 1 695 . 1 . 1 90 90 GLY CA C 13 45.189 . . 1 . . . . . 90 G CA . 52047 1 696 . 1 . 1 90 90 GLY N N 15 109.263 . . 1 . . . . . 90 G N . 52047 1 697 . 1 . 1 91 91 GLU H H 1 8.200 . . 1 . . . . . 91 E HN . 52047 1 698 . 1 . 1 91 91 GLU HA H 1 4.220 . . 1 . . . . . 91 E HA . 52047 1 699 . 1 . 1 91 91 GLU HB2 H 1 2.006 . . 2 . . . . . 91 E HB1 . 52047 1 700 . 1 . 1 91 91 GLU HB3 H 1 1.856 . . 2 . . . . . 91 E HB2 . 52047 1 701 . 1 . 1 91 91 GLU C C 13 176.226 . . 1 . . . . . 91 E C . 52047 1 702 . 1 . 1 91 91 GLU CA C 13 56.498 . . 1 . . . . . 91 E CA . 52047 1 703 . 1 . 1 91 91 GLU CB C 13 30.469 . . 1 . . . . . 91 E CB . 52047 1 704 . 1 . 1 91 91 GLU N N 15 120.238 . . 1 . . . . . 91 E N . 52047 1 705 . 1 . 1 92 92 ASP H H 1 8.490 . . 1 . . . . . 92 D HN . 52047 1 706 . 1 . 1 92 92 ASP HA H 1 4.515 . . 1 . . . . . 92 D HA . 52047 1 707 . 1 . 1 92 92 ASP HB2 H 1 2.560 . . 2 . . . . . 92 D HB1 . 52047 1 708 . 1 . 1 92 92 ASP HB3 H 1 2.515 . . 2 . . . . . 92 D HB2 . 52047 1 709 . 1 . 1 92 92 ASP C C 13 176.830 . . 1 . . . . . 92 D C . 52047 1 710 . 1 . 1 92 92 ASP CA C 13 54.306 . . 1 . . . . . 92 D CA . 52047 1 711 . 1 . 1 92 92 ASP CB C 13 40.745 . . 1 . . . . . 92 D CB . 52047 1 712 . 1 . 1 92 92 ASP N N 15 121.313 . . 1 . . . . . 92 D N . 52047 1 713 . 1 . 1 93 93 ILE H H 1 7.919 . . 1 . . . . . 93 I HN . 52047 1 714 . 1 . 1 93 93 ILE HA H 1 3.959 . . 1 . . . . . 93 I HA . 52047 1 715 . 1 . 1 93 93 ILE HB H 1 1.729 . . 1 . . . . . 93 I HB . 52047 1 716 . 1 . 1 93 93 ILE C C 13 176.287 . . 1 . . . . . 93 I C . 52047 1 717 . 1 . 1 93 93 ILE CA C 13 62.246 . . 1 . . . . . 93 I CA . 52047 1 718 . 1 . 1 93 93 ILE CB C 13 38.237 . . 1 . . . . . 93 I CB . 52047 1 719 . 1 . 1 93 93 ILE N N 15 120.253 . . 1 . . . . . 93 I N . 52047 1 720 . 1 . 1 94 94 TRP H H 1 7.960 . . 1 . . . . . 94 W HN . 52047 1 721 . 1 . 1 94 94 TRP HA H 1 4.615 . . 1 . . . . . 94 W HA . 52047 1 722 . 1 . 1 94 94 TRP HB2 H 1 3.309 . . 2 . . . . . 94 W HB1 . 52047 1 723 . 1 . 1 94 94 TRP HB3 H 1 3.222 . . 2 . . . . . 94 W HB2 . 52047 1 724 . 1 . 1 94 94 TRP HE1 H 1 10.195 . . 1 . . . . . 94 W HE1 . 52047 1 725 . 1 . 1 94 94 TRP C C 13 176.601 . . 1 . . . . . 94 W C . 52047 1 726 . 1 . 1 94 94 TRP CA C 13 57.336 . . 1 . . . . . 94 W CA . 52047 1 727 . 1 . 1 94 94 TRP CB C 13 29.087 . . 1 . . . . . 94 W CB . 52047 1 728 . 1 . 1 94 94 TRP N N 15 122.309 . . 1 . . . . . 94 W N . 52047 1 729 . 1 . 1 94 94 TRP NE1 N 15 129.499 . . 1 . . . . . 94 W NE1 . 52047 1 730 . 1 . 1 95 95 LYS H H 1 7.763 . . 1 . . . . . 95 K HN . 52047 1 731 . 1 . 1 95 95 LYS HA H 1 4.087 . . 1 . . . . . 95 K HA . 52047 1 732 . 1 . 1 95 95 LYS HB2 H 1 1.610 . . 2 . . . . . 95 K HB2 . 52047 1 733 . 1 . 1 95 95 LYS C C 13 176.373 . . 1 . . . . . 95 K C . 52047 1 734 . 1 . 1 95 95 LYS CA C 13 56.692 . . 1 . . . . . 95 K CA . 52047 1 735 . 1 . 1 95 95 LYS CB C 13 32.775 . . 1 . . . . . 95 K CB . 52047 1 736 . 1 . 1 95 95 LYS N N 15 122.233 . . 1 . . . . . 95 K N . 52047 1 737 . 1 . 1 96 96 LYS H H 1 7.996 . . 1 . . . . . 96 K HN . 52047 1 738 . 1 . 1 96 96 LYS HA H 1 4.108 . . 1 . . . . . 96 K HA . 52047 1 739 . 1 . 1 96 96 LYS HB2 H 1 1.626 . . 2 . . . . . 96 K HB2 . 52047 1 740 . 1 . 1 96 96 LYS C C 13 176.391 . . 1 . . . . . 96 K C . 52047 1 741 . 1 . 1 96 96 LYS CA C 13 56.611 . . 1 . . . . . 96 K CA . 52047 1 742 . 1 . 1 96 96 LYS CB C 13 32.795 . . 1 . . . . . 96 K CB . 52047 1 743 . 1 . 1 96 96 LYS N N 15 121.201 . . 1 . . . . . 96 K N . 52047 1 744 . 1 . 1 97 97 PHE H H 1 8.117 . . 1 . . . . . 97 F HN . 52047 1 745 . 1 . 1 97 97 PHE HA H 1 4.572 . . 1 . . . . . 97 F HA . 52047 1 746 . 1 . 1 97 97 PHE HB2 H 1 3.134 . . 2 . . . . . 97 F HB1 . 52047 1 747 . 1 . 1 97 97 PHE HB3 H 1 2.981 . . 2 . . . . . 97 F HB2 . 52047 1 748 . 1 . 1 97 97 PHE C C 13 175.499 . . 1 . . . . . 97 F C . 52047 1 749 . 1 . 1 97 97 PHE CA C 13 57.727 . . 1 . . . . . 97 F CA . 52047 1 750 . 1 . 1 97 97 PHE CB C 13 39.564 . . 1 . . . . . 97 F CB . 52047 1 751 . 1 . 1 97 97 PHE N N 15 120.713 . . 1 . . . . . 97 F N . 52047 1 752 . 1 . 1 98 98 GLU H H 1 8.165 . . 1 . . . . . 98 E HN . 52047 1 753 . 1 . 1 98 98 GLU HA H 1 4.220 . . 1 . . . . . 98 E HA . 52047 1 754 . 1 . 1 98 98 GLU HB2 H 1 1.958 . . 2 . . . . . 98 E HB1 . 52047 1 755 . 1 . 1 98 98 GLU HB3 H 1 1.862 . . 2 . . . . . 98 E HB2 . 52047 1 756 . 1 . 1 98 98 GLU C C 13 175.586 . . 1 . . . . . 98 E C . 52047 1 757 . 1 . 1 98 98 GLU CA C 13 56.274 . . 1 . . . . . 98 E CA . 52047 1 758 . 1 . 1 98 98 GLU CB C 13 30.657 . . 1 . . . . . 98 E CB . 52047 1 759 . 1 . 1 98 98 GLU N N 15 122.411 . . 1 . . . . . 98 E N . 52047 1 760 . 1 . 1 99 99 LEU H H 1 8.217 . . 1 . . . . . 99 L HN . 52047 1 761 . 1 . 1 99 99 LEU HA H 1 4.310 . . 1 . . . . . 99 L HA . 52047 1 762 . 1 . 1 99 99 LEU HB2 H 1 1.576 . . 2 . . . . . 99 L HB# . 52047 1 763 . 1 . 1 99 99 LEU HB3 H 1 1.576 . . 2 . . . . . 99 L HB# . 52047 1 764 . 1 . 1 99 99 LEU C C 13 176.840 . . 1 . . . . . 99 L C . 52047 1 765 . 1 . 1 99 99 LEU CA C 13 54.867 . . 1 . . . . . 99 L CA . 52047 1 766 . 1 . 1 99 99 LEU CB C 13 42.301 . . 1 . . . . . 99 L CB . 52047 1 767 . 1 . 1 99 99 LEU N N 15 123.429 . . 1 . . . . . 99 L N . 52047 1 768 . 1 . 1 100 100 LEU H H 1 8.251 . . 1 . . . . . 100 L HN . 52047 1 769 . 1 . 1 100 100 LEU HA H 1 4.613 . . 1 . . . . . 100 L HA . 52047 1 770 . 1 . 1 100 100 LEU HB2 H 1 1.595 . . 2 . . . . . 100 L HB1 . 52047 1 771 . 1 . 1 100 100 LEU HB3 H 1 1.528 . . 2 . . . . . 100 L HB2 . 52047 1 772 . 1 . 1 100 100 LEU C C 13 175.024 . . 1 . . . . . 100 L C . 52047 1 773 . 1 . 1 100 100 LEU CA C 13 52.806 . . 1 . . . . . 100 L CA . 52047 1 774 . 1 . 1 100 100 LEU CB C 13 41.698 . . 1 . . . . . 100 L CB . 52047 1 775 . 1 . 1 100 100 LEU N N 15 125.028 . . 1 . . . . . 100 L N . 52047 1 776 . 1 . 1 101 101 PRO HA H 1 4.443 . . 1 . . . . . 101 P HA . 52047 1 777 . 1 . 1 101 101 PRO HB2 H 1 2.246 . . 2 . . . . . 101 P HB1 . 52047 1 778 . 1 . 1 101 101 PRO HB3 H 1 1.842 . . 2 . . . . . 101 P HB2 . 52047 1 779 . 1 . 1 101 101 PRO C C 13 176.750 . . 1 . . . . . 101 P C . 52047 1 780 . 1 . 1 101 101 PRO CA C 13 62.849 . . 1 . . . . . 101 P CA . 52047 1 781 . 1 . 1 101 101 PRO CB C 13 32.034 . . 1 . . . . . 101 P CB . 52047 1 782 . 1 . 1 102 102 THR H H 1 8.346 . . 1 . . . . . 102 T HN . 52047 1 783 . 1 . 1 102 102 THR HA H 1 4.539 . . 1 . . . . . 102 T HA . 52047 1 784 . 1 . 1 102 102 THR C C 13 172.369 . . 1 . . . . . 102 T C . 52047 1 785 . 1 . 1 102 102 THR CA C 13 59.637 . . 1 . . . . . 102 T CA . 52047 1 786 . 1 . 1 102 102 THR CB C 13 69.883 . . 1 . . . . . 102 T CB . 52047 1 787 . 1 . 1 102 102 THR N N 15 117.695 . . 1 . . . . . 102 T N . 52047 1 stop_ save_