data_51984 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51984 _Entry.Title ; 1H, 13C, and 15N Chemical Shift Assignments for p53 (1-100) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-05-31 _Entry.Accession_date 2023-05-31 _Entry.Last_release_date 2023-05-31 _Entry.Original_release_date 2023-05-31 _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 . _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 Fanni Sebak . . . 0000-0001-9252-9961 51984 2 Andrea Bodor . . . 0000-0002-7422-298X 51984 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51984 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 288 51984 '15N chemical shifts' 99 51984 '1H chemical shifts' 168 51984 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 2 . . 2023-11-14 2023-05-31 update BMRB 'update entry citation' 51984 1 . . 2023-10-20 2023-05-31 original author 'original release' 51984 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51984 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 37861971 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Assignment of the disordered, proline-rich N-terminal domain of the tumour suppressor p53 protein using 1HN and 1Ha-detected NMR measurements ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 17 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _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 309 _Citation.Page_last 314 _Citation.Year 2023 _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 Fanni Sebak . . . . 51984 1 2 Peter Ecsedi . . . . 51984 1 3 Laszlo Nyitray . . . . 51984 1 4 Andrea Bodor . . . . 51984 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51984 _Assembly.ID 1 _Assembly.Name p53 _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 p53(1-100) 1 $entity_1 . . yes native no no . . . 51984 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51984 _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 ; GSMEEPQSDPSVEPPLSQET FSDLWKLLPENNVLSPLPSQ AMDDLMLSPDDIEQWFTEDP GPDEAPRMPEAAPRVAPAPA APTPAAPAPAPSWPLSSSVP SQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; -1,G 0,S 1,M 2,E ...... 98,P 99,S 100,Q ; _Entity.Polymer_author_seq_details 'Residues -1 - 0 represent a cloning artifact.' _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 102 _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 -1 GLY . 51984 1 2 0 SER . 51984 1 3 1 MET . 51984 1 4 2 GLU . 51984 1 5 3 GLU . 51984 1 6 4 PRO . 51984 1 7 5 GLN . 51984 1 8 6 SER . 51984 1 9 7 ASP . 51984 1 10 8 PRO . 51984 1 11 9 SER . 51984 1 12 10 VAL . 51984 1 13 11 GLU . 51984 1 14 12 PRO . 51984 1 15 13 PRO . 51984 1 16 14 LEU . 51984 1 17 15 SER . 51984 1 18 16 GLN . 51984 1 19 17 GLU . 51984 1 20 18 THR . 51984 1 21 19 PHE . 51984 1 22 20 SER . 51984 1 23 21 ASP . 51984 1 24 22 LEU . 51984 1 25 23 TRP . 51984 1 26 24 LYS . 51984 1 27 25 LEU . 51984 1 28 26 LEU . 51984 1 29 27 PRO . 51984 1 30 28 GLU . 51984 1 31 29 ASN . 51984 1 32 30 ASN . 51984 1 33 31 VAL . 51984 1 34 32 LEU . 51984 1 35 33 SER . 51984 1 36 34 PRO . 51984 1 37 35 LEU . 51984 1 38 36 PRO . 51984 1 39 37 SER . 51984 1 40 38 GLN . 51984 1 41 39 ALA . 51984 1 42 40 MET . 51984 1 43 41 ASP . 51984 1 44 42 ASP . 51984 1 45 43 LEU . 51984 1 46 44 MET . 51984 1 47 45 LEU . 51984 1 48 46 SER . 51984 1 49 47 PRO . 51984 1 50 48 ASP . 51984 1 51 49 ASP . 51984 1 52 50 ILE . 51984 1 53 51 GLU . 51984 1 54 52 GLN . 51984 1 55 53 TRP . 51984 1 56 54 PHE . 51984 1 57 55 THR . 51984 1 58 56 GLU . 51984 1 59 57 ASP . 51984 1 60 58 PRO . 51984 1 61 59 GLY . 51984 1 62 60 PRO . 51984 1 63 61 ASP . 51984 1 64 62 GLU . 51984 1 65 63 ALA . 51984 1 66 64 PRO . 51984 1 67 65 ARG . 51984 1 68 66 MET . 51984 1 69 67 PRO . 51984 1 70 68 GLU . 51984 1 71 69 ALA . 51984 1 72 70 ALA . 51984 1 73 71 PRO . 51984 1 74 72 ARG . 51984 1 75 73 VAL . 51984 1 76 74 ALA . 51984 1 77 75 PRO . 51984 1 78 76 ALA . 51984 1 79 77 PRO . 51984 1 80 78 ALA . 51984 1 81 79 ALA . 51984 1 82 80 PRO . 51984 1 83 81 THR . 51984 1 84 82 PRO . 51984 1 85 83 ALA . 51984 1 86 84 ALA . 51984 1 87 85 PRO . 51984 1 88 86 ALA . 51984 1 89 87 PRO . 51984 1 90 88 ALA . 51984 1 91 89 PRO . 51984 1 92 90 SER . 51984 1 93 91 TRP . 51984 1 94 92 PRO . 51984 1 95 93 LEU . 51984 1 96 94 SER . 51984 1 97 95 SER . 51984 1 98 96 SER . 51984 1 99 97 VAL . 51984 1 100 98 PRO . 51984 1 101 99 SER . 51984 1 102 100 GLN . 51984 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 51984 1 . SER 2 2 51984 1 . MET 3 3 51984 1 . GLU 4 4 51984 1 . GLU 5 5 51984 1 . PRO 6 6 51984 1 . GLN 7 7 51984 1 . SER 8 8 51984 1 . ASP 9 9 51984 1 . PRO 10 10 51984 1 . SER 11 11 51984 1 . VAL 12 12 51984 1 . GLU 13 13 51984 1 . PRO 14 14 51984 1 . PRO 15 15 51984 1 . LEU 16 16 51984 1 . SER 17 17 51984 1 . GLN 18 18 51984 1 . GLU 19 19 51984 1 . THR 20 20 51984 1 . PHE 21 21 51984 1 . SER 22 22 51984 1 . ASP 23 23 51984 1 . LEU 24 24 51984 1 . TRP 25 25 51984 1 . LYS 26 26 51984 1 . LEU 27 27 51984 1 . LEU 28 28 51984 1 . PRO 29 29 51984 1 . GLU 30 30 51984 1 . ASN 31 31 51984 1 . ASN 32 32 51984 1 . VAL 33 33 51984 1 . LEU 34 34 51984 1 . SER 35 35 51984 1 . PRO 36 36 51984 1 . LEU 37 37 51984 1 . PRO 38 38 51984 1 . SER 39 39 51984 1 . GLN 40 40 51984 1 . ALA 41 41 51984 1 . MET 42 42 51984 1 . ASP 43 43 51984 1 . ASP 44 44 51984 1 . LEU 45 45 51984 1 . MET 46 46 51984 1 . LEU 47 47 51984 1 . SER 48 48 51984 1 . PRO 49 49 51984 1 . ASP 50 50 51984 1 . ASP 51 51 51984 1 . ILE 52 52 51984 1 . GLU 53 53 51984 1 . GLN 54 54 51984 1 . TRP 55 55 51984 1 . PHE 56 56 51984 1 . THR 57 57 51984 1 . GLU 58 58 51984 1 . ASP 59 59 51984 1 . PRO 60 60 51984 1 . GLY 61 61 51984 1 . PRO 62 62 51984 1 . ASP 63 63 51984 1 . GLU 64 64 51984 1 . ALA 65 65 51984 1 . PRO 66 66 51984 1 . ARG 67 67 51984 1 . MET 68 68 51984 1 . PRO 69 69 51984 1 . GLU 70 70 51984 1 . ALA 71 71 51984 1 . ALA 72 72 51984 1 . PRO 73 73 51984 1 . ARG 74 74 51984 1 . VAL 75 75 51984 1 . ALA 76 76 51984 1 . PRO 77 77 51984 1 . ALA 78 78 51984 1 . PRO 79 79 51984 1 . ALA 80 80 51984 1 . ALA 81 81 51984 1 . PRO 82 82 51984 1 . THR 83 83 51984 1 . PRO 84 84 51984 1 . ALA 85 85 51984 1 . ALA 86 86 51984 1 . PRO 87 87 51984 1 . ALA 88 88 51984 1 . PRO 89 89 51984 1 . ALA 90 90 51984 1 . PRO 91 91 51984 1 . SER 92 92 51984 1 . TRP 93 93 51984 1 . PRO 94 94 51984 1 . LEU 95 95 51984 1 . SER 96 96 51984 1 . SER 97 97 51984 1 . SER 98 98 51984 1 . VAL 99 99 51984 1 . PRO 100 100 51984 1 . SER 101 101 51984 1 . GLN 102 102 51984 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 51984 _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 . . . . . . . . . . . . . 51984 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 51984 _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 . . pETARA . . . 51984 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51984 _Sample.ID 1 _Sample.Name 'sample 1' _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 p53(1-100) '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 51984 1 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 51984 1 3 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 51984 1 4 TCEP 'natural abundance' . . . . . . 10 . . mM . . . . 51984 1 5 'sodium azide' 'natural abundance' . . . . . . 3 . . mM . . . . 51984 1 6 D2O [U-2H] . . . . . . 10 . . % . . . . 51984 1 7 DSS 'natural abundance' . . . . . . 1 . . '% v/v' . . . . 51984 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 51984 _Sample_condition_list.ID 1 _Sample_condition_list.Name conditions_298K _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 6.0 . pH 51984 1 pressure 1 . atm 51984 1 temperature 298 . K 51984 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51984 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.6.2 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51984 1 processing . 51984 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51984 _Software.ID 2 _Software.Type . _Software.Name CARA _Software.Version 1.8.4.2 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51984 2 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 51984 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name Bruker_700 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 51984 _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 . . . . . . . . . . . . . . . . . 51984 1 2 '2D 1H-15N TROSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51984 1 3 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51984 1 4 '3D HN(CO)CACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51984 1 5 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51984 1 6 '2D SHACA-HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51984 1 7 '3D HCAN' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51984 1 8 '3D HCACON' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51984 1 9 '3D Pro-(H)CBCGCAHA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51984 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 51984 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name ref1 _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 . . . . . 51984 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 51984 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 51984 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 51984 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name p53_1_100 _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 2 '2D 1H-15N TROSY' . . . 51984 1 3 '3D HNCACB' . . . 51984 1 5 '3D HNCO' . . . 51984 1 6 '2D SHACA-HSQC' . . . 51984 1 7 '3D HCAN' . . . 51984 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 . . 51984 1 2 $software_2 . . 51984 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 SER HA H 1 4.504 0.01 . 1 . . . . . 0 SER HA . 51984 1 2 . 1 . 1 2 2 SER CA C 13 58.302 0.04 . 1 . . . . . 0 SER CA . 51984 1 3 . 1 . 1 2 2 SER N N 15 115.933 0.06 . 1 . . . . . 0 SER N . 51984 1 4 . 1 . 1 3 3 MET H H 1 8.583 0.01 . 1 . . . . . 1 MET H . 51984 1 5 . 1 . 1 3 3 MET HA H 1 4.495 0.01 . 1 . . . . . 1 MET HA . 51984 1 6 . 1 . 1 3 3 MET C C 13 176.080 0.3 . 1 . . . . . 1 MET C . 51984 1 7 . 1 . 1 3 3 MET CA C 13 55.519 0.04 . 1 . . . . . 1 MET CA . 51984 1 8 . 1 . 1 3 3 MET CB C 13 32.307 0.3 . 1 . . . . . 1 MET CB . 51984 1 9 . 1 . 1 3 3 MET N N 15 121.834 0.06 . 1 . . . . . 1 MET N . 51984 1 10 . 1 . 1 4 4 GLU H H 1 8.365 0.01 . 1 . . . . . 2 GLU H . 51984 1 11 . 1 . 1 4 4 GLU HA H 1 4.291 0.01 . 1 . . . . . 2 GLU HA . 51984 1 12 . 1 . 1 4 4 GLU C C 13 176.125 0.3 . 1 . . . . . 2 GLU C . 51984 1 13 . 1 . 1 4 4 GLU CA C 13 56.256 0.04 . 1 . . . . . 2 GLU CA . 51984 1 14 . 1 . 1 4 4 GLU CB C 13 29.813 0.3 . 1 . . . . . 2 GLU CB . 51984 1 15 . 1 . 1 4 4 GLU N N 15 121.335 0.06 . 1 . . . . . 2 GLU N . 51984 1 16 . 1 . 1 5 5 GLU H H 1 8.301 0.01 . 1 . . . . . 3 GLU H . 51984 1 17 . 1 . 1 5 5 GLU HA H 1 4.584 0.01 . 1 . . . . . 3 GLU HA . 51984 1 18 . 1 . 1 5 5 GLU C C 13 174.385 0.3 . 1 . . . . . 3 GLU C . 51984 1 19 . 1 . 1 5 5 GLU CA C 13 54.021 0.04 . 1 . . . . . 3 GLU CA . 51984 1 20 . 1 . 1 5 5 GLU CB C 13 29.823 0.3 . 1 . . . . . 3 GLU CB . 51984 1 21 . 1 . 1 5 5 GLU N N 15 123.135 0.06 . 1 . . . . . 3 GLU N . 51984 1 22 . 1 . 1 6 6 PRO HA H 1 4.424 0.01 . 1 . . . . . 4 PRO HA . 51984 1 23 . 1 . 1 6 6 PRO C C 13 176.953 0.3 . 1 . . . . . 4 PRO C . 51984 1 24 . 1 . 1 6 6 PRO CA C 13 62.959 0.04 . 1 . . . . . 4 PRO CA . 51984 1 25 . 1 . 1 6 6 PRO CB C 13 31.659 0.3 . 1 . . . . . 4 PRO CB . 51984 1 26 . 1 . 1 6 6 PRO N N 15 137.297 0.06 . 1 . . . . . 4 PRO N . 51984 1 27 . 1 . 1 7 7 GLN H H 1 8.556 0.01 . 1 . . . . . 5 GLN H . 51984 1 28 . 1 . 1 7 7 GLN HA H 1 4.356 0.01 . 1 . . . . . 5 GLN HA . 51984 1 29 . 1 . 1 7 7 GLN C C 13 175.977 0.3 . 1 . . . . . 5 GLN C . 51984 1 30 . 1 . 1 7 7 GLN CA C 13 55.341 0.04 . 1 . . . . . 5 GLN CA . 51984 1 31 . 1 . 1 7 7 GLN CB C 13 29.226 0.3 . 1 . . . . . 5 GLN CB . 51984 1 32 . 1 . 1 7 7 GLN N N 15 120.893 0.06 . 1 . . . . . 5 GLN N . 51984 1 33 . 1 . 1 8 8 SER H H 1 8.371 0.01 . 1 . . . . . 6 SER H . 51984 1 34 . 1 . 1 8 8 SER HA H 1 4.495 0.01 . 1 . . . . . 6 SER HA . 51984 1 35 . 1 . 1 8 8 SER C C 13 173.722 0.3 . 1 . . . . . 6 SER C . 51984 1 36 . 1 . 1 8 8 SER CA C 13 58.037 0.04 . 1 . . . . . 6 SER CA . 51984 1 37 . 1 . 1 8 8 SER CB C 13 63.549 0.3 . 1 . . . . . 6 SER CB . 51984 1 38 . 1 . 1 8 8 SER N N 15 117.667 0.06 . 1 . . . . . 6 SER N . 51984 1 39 . 1 . 1 9 9 ASP H H 1 8.430 0.01 . 1 . . . . . 7 ASP H . 51984 1 40 . 1 . 1 9 9 ASP HA H 1 4.913 0.01 . 1 . . . . . 7 ASP HA . 51984 1 41 . 1 . 1 9 9 ASP C C 13 174.695 0.3 . 1 . . . . . 7 ASP C . 51984 1 42 . 1 . 1 9 9 ASP CA C 13 51.899 0.04 . 1 . . . . . 7 ASP CA . 51984 1 43 . 1 . 1 9 9 ASP CB C 13 41.058 0.3 . 1 . . . . . 7 ASP CB . 51984 1 44 . 1 . 1 9 9 ASP N N 15 123.618 0.06 . 1 . . . . . 7 ASP N . 51984 1 45 . 1 . 1 10 10 PRO HA H 1 4.465 0.01 . 1 . . . . . 8 PRO HA . 51984 1 46 . 1 . 1 10 10 PRO C C 13 176.973 0.3 . 1 . . . . . 8 PRO C . 51984 1 47 . 1 . 1 10 10 PRO CA C 13 63.249 0.04 . 1 . . . . . 8 PRO CA . 51984 1 48 . 1 . 1 10 10 PRO CB C 13 31.659 0.3 . 1 . . . . . 8 PRO CB . 51984 1 49 . 1 . 1 10 10 PRO N N 15 136.746 0.06 . 1 . . . . . 8 PRO N . 51984 1 50 . 1 . 1 11 11 SER H H 1 8.515 0.01 . 1 . . . . . 9 SER H . 51984 1 51 . 1 . 1 11 11 SER HA H 1 4.397 0.01 . 1 . . . . . 9 SER HA . 51984 1 52 . 1 . 1 11 11 SER C C 13 174.533 0.3 . 1 . . . . . 9 SER C . 51984 1 53 . 1 . 1 11 11 SER CA C 13 58.711 0.04 . 1 . . . . . 9 SER CA . 51984 1 54 . 1 . 1 11 11 SER CB C 13 63.549 0.3 . 1 . . . . . 9 SER CB . 51984 1 55 . 1 . 1 11 11 SER N N 15 115.971 0.06 . 1 . . . . . 9 SER N . 51984 1 56 . 1 . 1 12 12 VAL H H 1 7.865 0.01 . 1 . . . . . 10 VAL H . 51984 1 57 . 1 . 1 12 12 VAL HA H 1 4.176 0.01 . 1 . . . . . 10 VAL HA . 51984 1 58 . 1 . 1 12 12 VAL C C 13 175.800 0.3 . 1 . . . . . 10 VAL C . 51984 1 59 . 1 . 1 12 12 VAL CA C 13 61.638 0.04 . 1 . . . . . 10 VAL CA . 51984 1 60 . 1 . 1 12 12 VAL CB C 13 32.415 0.3 . 1 . . . . . 10 VAL CB . 51984 1 61 . 1 . 1 12 12 VAL N N 15 121.043 0.06 . 1 . . . . . 10 VAL N . 51984 1 62 . 1 . 1 13 13 GLU H H 1 8.328 0.01 . 1 . . . . . 11 GLU H . 51984 1 63 . 1 . 1 13 13 GLU HA H 1 4.580 0.01 . 1 . . . . . 11 GLU HA . 51984 1 64 . 1 . 1 13 13 GLU C C 13 173.840 0.3 . 1 . . . . . 11 GLU C . 51984 1 65 . 1 . 1 13 13 GLU CA C 13 53.924 0.04 . 1 . . . . . 11 GLU CA . 51984 1 66 . 1 . 1 13 13 GLU CB C 13 29.212 0.3 . 1 . . . . . 11 GLU CB . 51984 1 67 . 1 . 1 13 13 GLU N N 15 126.076 0.06 . 1 . . . . . 11 GLU N . 51984 1 68 . 1 . 1 14 14 PRO HA H 1 4.674 0.01 . 1 . . . . . 12 PRO HA . 51984 1 69 . 1 . 1 14 14 PRO C C 13 174.739 0.3 . 1 . . . . . 12 PRO C . 51984 1 70 . 1 . 1 14 14 PRO CA C 13 61.212 0.04 . 1 . . . . . 12 PRO CA . 51984 1 71 . 1 . 1 14 14 PRO CB C 13 31.659 0.3 . 1 . . . . . 12 PRO CB . 51984 1 72 . 1 . 1 14 14 PRO N N 15 138.590 0.06 . 1 . . . . . 12 PRO N . 51984 1 73 . 1 . 1 15 15 PRO HA H 1 4.438 0.01 . 1 . . . . . 13 PRO HA . 51984 1 74 . 1 . 1 15 15 PRO C C 13 176.953 0.3 . 1 . . . . . 13 PRO C . 51984 1 75 . 1 . 1 15 15 PRO CA C 13 62.475 0.04 . 1 . . . . . 13 PRO CA . 51984 1 76 . 1 . 1 15 15 PRO CB C 13 31.659 0.3 . 1 . . . . . 13 PRO CB . 51984 1 77 . 1 . 1 15 15 PRO N N 15 135.043 0.06 . 1 . . . . . 13 PRO N . 51984 1 78 . 1 . 1 16 16 LEU H H 1 8.339 0.01 . 1 . . . . . 14 LEU H . 51984 1 79 . 1 . 1 16 16 LEU HA H 1 4.314 0.01 . 1 . . . . . 14 LEU HA . 51984 1 80 . 1 . 1 16 16 LEU C C 13 177.614 0.3 . 1 . . . . . 14 LEU C . 51984 1 81 . 1 . 1 16 16 LEU CA C 13 55.060 0.04 . 1 . . . . . 14 LEU CA . 51984 1 82 . 1 . 1 16 16 LEU CB C 13 42.317 0.3 . 1 . . . . . 14 LEU CB . 51984 1 83 . 1 . 1 16 16 LEU N N 15 122.406 0.06 . 1 . . . . . 14 LEU N . 51984 1 84 . 1 . 1 17 17 SER H H 1 8.325 0.01 . 1 . . . . . 15 SER H . 51984 1 85 . 1 . 1 17 17 SER HA H 1 4.430 0.01 . 1 . . . . . 15 SER HA . 51984 1 86 . 1 . 1 17 17 SER C C 13 174.603 0.3 . 1 . . . . . 15 SER C . 51984 1 87 . 1 . 1 17 17 SER CA C 13 57.884 0.04 . 1 . . . . . 15 SER CA . 51984 1 88 . 1 . 1 17 17 SER CB C 13 63.549 0.3 . 1 . . . . . 15 SER CB . 51984 1 89 . 1 . 1 17 17 SER N N 15 116.644 0.06 . 1 . . . . . 15 SER N . 51984 1 90 . 1 . 1 18 18 GLN H H 1 8.488 0.01 . 1 . . . . . 16 GLN H . 51984 1 91 . 1 . 1 18 18 GLN HA H 1 4.318 0.01 . 1 . . . . . 16 GLN HA . 51984 1 92 . 1 . 1 18 18 GLN C C 13 176.007 0.3 . 1 . . . . . 16 GLN C . 51984 1 93 . 1 . 1 18 18 GLN CA C 13 55.812 0.04 . 1 . . . . . 16 GLN CA . 51984 1 94 . 1 . 1 18 18 GLN CB C 13 29.226 0.3 . 1 . . . . . 16 GLN CB . 51984 1 95 . 1 . 1 18 18 GLN N N 15 122.447 0.06 . 1 . . . . . 16 GLN N . 51984 1 96 . 1 . 1 19 19 GLU H H 1 8.461 0.01 . 1 . . . . . 17 GLU H . 51984 1 97 . 1 . 1 19 19 GLU HA H 1 4.268 0.01 . 1 . . . . . 17 GLU HA . 51984 1 98 . 1 . 1 19 19 GLU C C 13 176.491 0.3 . 1 . . . . . 17 GLU C . 51984 1 99 . 1 . 1 19 19 GLU CA C 13 56.680 0.04 . 1 . . . . . 17 GLU CA . 51984 1 100 . 1 . 1 19 19 GLU CB C 13 30.400 0.3 . 1 . . . . . 17 GLU CB . 51984 1 101 . 1 . 1 19 19 GLU N N 15 121.898 0.06 . 1 . . . . . 17 GLU N . 51984 1 102 . 1 . 1 20 20 THR H H 1 8.106 0.01 . 1 . . . . . 18 THR H . 51984 1 103 . 1 . 1 20 20 THR HA H 1 4.232 0.01 . 1 . . . . . 18 THR HA . 51984 1 104 . 1 . 1 20 20 THR C C 13 174.372 0.3 . 1 . . . . . 18 THR C . 51984 1 105 . 1 . 1 20 20 THR CA C 13 61.761 0.04 . 1 . . . . . 18 THR CA . 51984 1 106 . 1 . 1 20 20 THR CB C 13 69.759 0.3 . 1 . . . . . 18 THR CB . 51984 1 107 . 1 . 1 20 20 THR N N 15 114.890 0.06 . 1 . . . . . 18 THR N . 51984 1 108 . 1 . 1 21 21 PHE H H 1 8.234 0.01 . 1 . . . . . 19 PHE H . 51984 1 109 . 1 . 1 21 21 PHE HA H 1 4.593 0.01 . 1 . . . . . 19 PHE HA . 51984 1 110 . 1 . 1 21 21 PHE C C 13 175.889 0.3 . 1 . . . . . 19 PHE C . 51984 1 111 . 1 . 1 21 21 PHE CA C 13 57.821 0.04 . 1 . . . . . 19 PHE CA . 51984 1 112 . 1 . 1 21 21 PHE CB C 13 39.212 0.3 . 1 . . . . . 19 PHE CB . 51984 1 113 . 1 . 1 21 21 PHE N N 15 122.245 0.06 . 1 . . . . . 19 PHE N . 51984 1 114 . 1 . 1 22 22 SER H H 1 8.096 0.01 . 1 . . . . . 20 SER H . 51984 1 115 . 1 . 1 22 22 SER HA H 1 4.316 0.01 . 1 . . . . . 20 SER HA . 51984 1 116 . 1 . 1 22 22 SER C C 13 174.474 0.3 . 1 . . . . . 20 SER C . 51984 1 117 . 1 . 1 22 22 SER CA C 13 58.407 0.04 . 1 . . . . . 20 SER CA . 51984 1 118 . 1 . 1 22 22 SER CB C 13 63.549 0.3 . 1 . . . . . 20 SER CB . 51984 1 119 . 1 . 1 22 22 SER N N 15 116.674 0.06 . 1 . . . . . 20 SER N . 51984 1 120 . 1 . 1 23 23 ASP H H 1 8.270 0.01 . 1 . . . . . 21 ASP H . 51984 1 121 . 1 . 1 23 23 ASP HA H 1 4.544 0.01 . 1 . . . . . 21 ASP HA . 51984 1 122 . 1 . 1 23 23 ASP C C 13 176.906 0.3 . 1 . . . . . 21 ASP C . 51984 1 123 . 1 . 1 23 23 ASP CA C 13 54.612 0.04 . 1 . . . . . 21 ASP CA . 51984 1 124 . 1 . 1 23 23 ASP CB C 13 40.476 0.3 . 1 . . . . . 21 ASP CB . 51984 1 125 . 1 . 1 23 23 ASP N N 15 122.108 0.06 . 1 . . . . . 21 ASP N . 51984 1 126 . 1 . 1 24 24 LEU H H 1 7.936 0.01 . 1 . . . . . 22 LEU H . 51984 1 127 . 1 . 1 24 24 LEU HA H 1 4.083 0.01 . 1 . . . . . 22 LEU HA . 51984 1 128 . 1 . 1 24 24 LEU C C 13 178.012 0.3 . 1 . . . . . 22 LEU C . 51984 1 129 . 1 . 1 24 24 LEU CA C 13 56.288 0.04 . 1 . . . . . 22 LEU CA . 51984 1 130 . 1 . 1 24 24 LEU CB C 13 41.730 0.3 . 1 . . . . . 22 LEU CB . 51984 1 131 . 1 . 1 24 24 LEU N N 15 121.100 0.06 . 1 . . . . . 22 LEU N . 51984 1 132 . 1 . 1 25 25 TRP H H 1 7.845 0.01 . 1 . . . . . 23 TRP H . 51984 1 133 . 1 . 1 25 25 TRP HA H 1 4.514 0.01 . 1 . . . . . 23 TRP HA . 51984 1 134 . 1 . 1 25 25 TRP C C 13 176.714 0.3 . 1 . . . . . 23 TRP C . 51984 1 135 . 1 . 1 25 25 TRP CA C 13 57.489 0.04 . 1 . . . . . 23 TRP CA . 51984 1 136 . 1 . 1 25 25 TRP CB C 13 28.554 0.3 . 1 . . . . . 23 TRP CB . 51984 1 137 . 1 . 1 25 25 TRP N N 15 119.310 0.06 . 1 . . . . . 23 TRP N . 51984 1 138 . 1 . 1 26 26 LYS H H 1 7.571 0.01 . 1 . . . . . 24 LYS H . 51984 1 139 . 1 . 1 26 26 LYS HA H 1 4.047 0.01 . 1 . . . . . 24 LYS HA . 51984 1 140 . 1 . 1 26 26 LYS C C 13 176.139 0.3 . 1 . . . . . 24 LYS C . 51984 1 141 . 1 . 1 26 26 LYS CA C 13 56.626 0.04 . 1 . . . . . 24 LYS CA . 51984 1 142 . 1 . 1 26 26 LYS CB C 13 32.415 0.3 . 1 . . . . . 24 LYS CB . 51984 1 143 . 1 . 1 26 26 LYS N N 15 120.454 0.06 . 1 . . . . . 24 LYS N . 51984 1 144 . 1 . 1 27 27 LEU H H 1 7.818 0.01 . 1 . . . . . 25 LEU H . 51984 1 145 . 1 . 1 27 27 LEU HA H 1 4.273 0.01 . 1 . . . . . 25 LEU HA . 51984 1 146 . 1 . 1 27 27 LEU C C 13 177.039 0.3 . 1 . . . . . 25 LEU C . 51984 1 147 . 1 . 1 27 27 LEU CA C 13 54.661 0.04 . 1 . . . . . 25 LEU CA . 51984 1 148 . 1 . 1 27 27 LEU CB C 13 41.814 0.3 . 1 . . . . . 25 LEU CB . 51984 1 149 . 1 . 1 27 27 LEU N N 15 120.715 0.06 . 1 . . . . . 25 LEU N . 51984 1 150 . 1 . 1 28 28 LEU H H 1 7.911 0.01 . 1 . . . . . 26 LEU H . 51984 1 151 . 1 . 1 28 28 LEU HA H 1 4.568 0.01 . 1 . . . . . 26 LEU HA . 51984 1 152 . 1 . 1 28 28 LEU C C 13 175.476 0.3 . 1 . . . . . 26 LEU C . 51984 1 153 . 1 . 1 28 28 LEU CA C 13 52.891 0.04 . 1 . . . . . 26 LEU CA . 51984 1 154 . 1 . 1 28 28 LEU CB C 13 41.142 0.3 . 1 . . . . . 26 LEU CB . 51984 1 155 . 1 . 1 28 28 LEU N N 15 123.674 0.06 . 1 . . . . . 26 LEU N . 51984 1 156 . 1 . 1 29 29 PRO HA H 1 4.361 0.01 . 1 . . . . . 27 PRO HA . 51984 1 157 . 1 . 1 29 29 PRO C C 13 177.414 0.3 . 1 . . . . . 27 PRO C . 51984 1 158 . 1 . 1 29 29 PRO CA C 13 63.380 0.04 . 1 . . . . . 27 PRO CA . 51984 1 159 . 1 . 1 29 29 PRO CB C 13 31.659 0.3 . 1 . . . . . 27 PRO CB . 51984 1 160 . 1 . 1 29 29 PRO N N 15 136.416 0.06 . 1 . . . . . 27 PRO N . 51984 1 161 . 1 . 1 30 30 GLU H H 1 8.699 0.01 . 1 . . . . . 28 GLU H . 51984 1 162 . 1 . 1 30 30 GLU HA H 1 4.194 0.01 . 1 . . . . . 28 GLU HA . 51984 1 163 . 1 . 1 30 30 GLU C C 13 176.331 0.3 . 1 . . . . . 28 GLU C . 51984 1 164 . 1 . 1 30 30 GLU CA C 13 56.797 0.04 . 1 . . . . . 28 GLU CA . 51984 1 165 . 1 . 1 30 30 GLU CB C 13 29.477 0.3 . 1 . . . . . 28 GLU CB . 51984 1 166 . 1 . 1 30 30 GLU N N 15 119.759 0.06 . 1 . . . . . 28 GLU N . 51984 1 167 . 1 . 1 31 31 ASN H H 1 8.280 0.01 . 1 . . . . . 29 ASN H . 51984 1 168 . 1 . 1 31 31 ASN HA H 1 4.726 0.01 . 1 . . . . . 29 ASN HA . 51984 1 169 . 1 . 1 31 31 ASN C C 13 174.769 0.3 . 1 . . . . . 29 ASN C . 51984 1 170 . 1 . 1 31 31 ASN CA C 13 52.923 0.04 . 1 . . . . . 29 ASN CA . 51984 1 171 . 1 . 1 31 31 ASN CB C 13 38.541 0.3 . 1 . . . . . 29 ASN CB . 51984 1 172 . 1 . 1 31 31 ASN N N 15 118.831 0.06 . 1 . . . . . 29 ASN N . 51984 1 173 . 1 . 1 32 32 ASN H H 1 8.281 0.01 . 1 . . . . . 30 ASN H . 51984 1 174 . 1 . 1 32 32 ASN HA H 1 4.712 0.01 . 1 . . . . . 30 ASN HA . 51984 1 175 . 1 . 1 32 32 ASN C C 13 174.872 0.3 . 1 . . . . . 30 ASN C . 51984 1 176 . 1 . 1 32 32 ASN CA C 13 53.143 0.04 . 1 . . . . . 30 ASN CA . 51984 1 177 . 1 . 1 32 32 ASN CB C 13 38.541 0.3 . 1 . . . . . 30 ASN CB . 51984 1 178 . 1 . 1 32 32 ASN N N 15 119.546 0.06 . 1 . . . . . 30 ASN N . 51984 1 179 . 1 . 1 33 33 VAL H H 1 8.031 0.01 . 1 . . . . . 31 VAL H . 51984 1 180 . 1 . 1 33 33 VAL HA H 1 4.086 0.01 . 1 . . . . . 31 VAL HA . 51984 1 181 . 1 . 1 33 33 VAL C C 13 176.008 0.3 . 1 . . . . . 31 VAL C . 51984 1 182 . 1 . 1 33 33 VAL CA C 13 62.274 0.04 . 1 . . . . . 31 VAL CA . 51984 1 183 . 1 . 1 33 33 VAL CB C 13 32.331 0.3 . 1 . . . . . 31 VAL CB . 51984 1 184 . 1 . 1 33 33 VAL N N 15 120.171 0.06 . 1 . . . . . 31 VAL N . 51984 1 185 . 1 . 1 34 34 LEU H H 1 8.283 0.01 . 1 . . . . . 32 LEU H . 51984 1 186 . 1 . 1 34 34 LEU HA H 1 4.385 0.01 . 1 . . . . . 32 LEU HA . 51984 1 187 . 1 . 1 34 34 LEU C C 13 177.015 0.3 . 1 . . . . . 32 LEU C . 51984 1 188 . 1 . 1 34 34 LEU CA C 13 54.703 0.04 . 1 . . . . . 32 LEU CA . 51984 1 189 . 1 . 1 34 34 LEU CB C 13 42.210 0.3 . 1 . . . . . 32 LEU CB . 51984 1 190 . 1 . 1 34 34 LEU N N 15 125.538 0.06 . 1 . . . . . 32 LEU N . 51984 1 191 . 1 . 1 35 35 SER H H 1 8.219 0.01 . 1 . . . . . 33 SER H . 51984 1 192 . 1 . 1 35 35 SER HA H 1 4.727 0.01 . 1 . . . . . 33 SER HA . 51984 1 193 . 1 . 1 35 35 SER C C 13 172.438 0.3 . 1 . . . . . 33 SER C . 51984 1 194 . 1 . 1 35 35 SER CA C 13 55.946 0.04 . 1 . . . . . 33 SER CA . 51984 1 195 . 1 . 1 35 35 SER CB C 13 62.961 0.3 . 1 . . . . . 33 SER CB . 51984 1 196 . 1 . 1 35 35 SER N N 15 118.082 0.06 . 1 . . . . . 33 SER N . 51984 1 197 . 1 . 1 36 36 PRO HA H 1 4.437 0.01 . 1 . . . . . 34 PRO HA . 51984 1 198 . 1 . 1 36 36 PRO C C 13 176.659 0.3 . 1 . . . . . 34 PRO C . 51984 1 199 . 1 . 1 36 36 PRO CA C 13 62.709 0.04 . 1 . . . . . 34 PRO CA . 51984 1 200 . 1 . 1 36 36 PRO CB C 13 31.659 0.3 . 1 . . . . . 34 PRO CB . 51984 1 201 . 1 . 1 36 36 PRO N N 15 137.260 0.06 . 1 . . . . . 34 PRO N . 51984 1 202 . 1 . 1 37 37 LEU H H 1 8.300 0.01 . 1 . . . . . 35 LEU H . 51984 1 203 . 1 . 1 37 37 LEU HA H 1 4.594 0.01 . 1 . . . . . 35 LEU HA . 51984 1 204 . 1 . 1 37 37 LEU C C 13 175.526 0.3 . 1 . . . . . 35 LEU C . 51984 1 205 . 1 . 1 37 37 LEU CA C 13 52.769 0.04 . 1 . . . . . 35 LEU CA . 51984 1 206 . 1 . 1 37 37 LEU CB C 13 41.142 0.3 . 1 . . . . . 35 LEU CB . 51984 1 207 . 1 . 1 37 37 LEU N N 15 123.706 0.06 . 1 . . . . . 35 LEU N . 51984 1 208 . 1 . 1 38 38 PRO HA H 1 4.427 0.01 . 1 . . . . . 36 PRO HA . 51984 1 209 . 1 . 1 38 38 PRO C C 13 176.974 0.3 . 1 . . . . . 36 PRO C . 51984 1 210 . 1 . 1 38 38 PRO CA C 13 62.976 0.04 . 1 . . . . . 36 PRO CA . 51984 1 211 . 1 . 1 38 38 PRO CB C 13 31.743 0.3 . 1 . . . . . 36 PRO CB . 51984 1 212 . 1 . 1 38 38 PRO N N 15 136.403 0.06 . 1 . . . . . 36 PRO N . 51984 1 213 . 1 . 1 39 39 SER H H 1 8.336 0.01 . 1 . . . . . 37 SER H . 51984 1 214 . 1 . 1 39 39 SER HA H 1 4.378 0.01 . 1 . . . . . 37 SER HA . 51984 1 215 . 1 . 1 39 39 SER C C 13 174.708 0.3 . 1 . . . . . 37 SER C . 51984 1 216 . 1 . 1 39 39 SER CA C 13 58.252 0.04 . 1 . . . . . 37 SER CA . 51984 1 217 . 1 . 1 39 39 SER CB C 13 63.549 0.3 . 1 . . . . . 37 SER CB . 51984 1 218 . 1 . 1 39 39 SER N N 15 115.676 0.06 . 1 . . . . . 37 SER N . 51984 1 219 . 1 . 1 40 40 GLN H H 1 8.377 0.01 . 1 . . . . . 38 GLN H . 51984 1 220 . 1 . 1 40 40 GLN HA H 1 4.325 0.01 . 1 . . . . . 38 GLN HA . 51984 1 221 . 1 . 1 40 40 GLN C C 13 175.568 0.3 . 1 . . . . . 38 GLN C . 51984 1 222 . 1 . 1 40 40 GLN CA C 13 55.780 0.04 . 1 . . . . . 38 GLN CA . 51984 1 223 . 1 . 1 40 40 GLN CB C 13 29.226 0.3 . 1 . . . . . 38 GLN CB . 51984 1 224 . 1 . 1 40 40 GLN N N 15 122.212 0.06 . 1 . . . . . 38 GLN N . 51984 1 225 . 1 . 1 41 41 ALA H H 1 8.310 0.01 . 1 . . . . . 39 ALA H . 51984 1 226 . 1 . 1 41 41 ALA HA H 1 4.302 0.01 . 1 . . . . . 39 ALA HA . 51984 1 227 . 1 . 1 41 41 ALA C C 13 177.855 0.3 . 1 . . . . . 39 ALA C . 51984 1 228 . 1 . 1 41 41 ALA CA C 13 52.419 0.04 . 1 . . . . . 39 ALA CA . 51984 1 229 . 1 . 1 41 41 ALA CB C 13 19.155 0.3 . 1 . . . . . 39 ALA CB . 51984 1 230 . 1 . 1 41 41 ALA N N 15 125.204 0.06 . 1 . . . . . 39 ALA N . 51984 1 231 . 1 . 1 42 42 MET H H 1 8.330 0.01 . 1 . . . . . 40 MET H . 51984 1 232 . 1 . 1 42 42 MET HA H 1 4.458 0.01 . 1 . . . . . 40 MET HA . 51984 1 233 . 1 . 1 42 42 MET C C 13 176.218 0.3 . 1 . . . . . 40 MET C . 51984 1 234 . 1 . 1 42 42 MET CA C 13 55.350 0.04 . 1 . . . . . 40 MET CA . 51984 1 235 . 1 . 1 42 42 MET CB C 13 32.415 0.3 . 1 . . . . . 40 MET CB . 51984 1 236 . 1 . 1 42 42 MET N N 15 119.516 0.06 . 1 . . . . . 40 MET N . 51984 1 237 . 1 . 1 43 43 ASP H H 1 8.250 0.01 . 1 . . . . . 41 ASP H . 51984 1 238 . 1 . 1 43 43 ASP HA H 1 4.540 0.01 . 1 . . . . . 41 ASP HA . 51984 1 239 . 1 . 1 43 43 ASP C C 13 176.008 0.3 . 1 . . . . . 41 ASP C . 51984 1 240 . 1 . 1 43 43 ASP CA C 13 54.558 0.04 . 1 . . . . . 41 ASP CA . 51984 1 241 . 1 . 1 43 43 ASP CB C 13 41.058 0.3 . 1 . . . . . 41 ASP CB . 51984 1 242 . 1 . 1 43 43 ASP N N 15 120.953 0.06 . 1 . . . . . 41 ASP N . 51984 1 243 . 1 . 1 44 44 ASP H H 1 8.235 0.01 . 1 . . . . . 42 ASP H . 51984 1 244 . 1 . 1 44 44 ASP C C 13 176.323 0.3 . 1 . . . . . 42 ASP C . 51984 1 245 . 1 . 1 44 44 ASP CA C 13 54.303 0.3 . 1 . . . . . 42 ASP CA . 51984 1 246 . 1 . 1 44 44 ASP CB C 13 40.471 0.3 . 1 . . . . . 42 ASP CB . 51984 1 247 . 1 . 1 44 44 ASP N N 15 120.161 0.06 . 1 . . . . . 42 ASP N . 51984 1 248 . 1 . 1 45 45 LEU H H 1 8.080 0.01 . 1 . . . . . 43 LEU H . 51984 1 249 . 1 . 1 45 45 LEU HA H 1 4.274 0.01 . 1 . . . . . 43 LEU HA . 51984 1 250 . 1 . 1 45 45 LEU C C 13 177.330 0.3 . 1 . . . . . 43 LEU C . 51984 1 251 . 1 . 1 45 45 LEU CA C 13 55.285 0.04 . 1 . . . . . 43 LEU CA . 51984 1 252 . 1 . 1 45 45 LEU CB C 13 41.730 0.3 . 1 . . . . . 43 LEU CB . 51984 1 253 . 1 . 1 45 45 LEU N N 15 121.715 0.06 . 1 . . . . . 43 LEU N . 51984 1 254 . 1 . 1 46 46 MET H H 1 8.243 0.01 . 1 . . . . . 44 MET H . 51984 1 255 . 1 . 1 46 46 MET HA H 1 4.431 0.01 . 1 . . . . . 44 MET HA . 51984 1 256 . 1 . 1 46 46 MET C C 13 175.904 0.3 . 1 . . . . . 44 MET C . 51984 1 257 . 1 . 1 46 46 MET CA C 13 55.113 0.04 . 1 . . . . . 44 MET CA . 51984 1 258 . 1 . 1 46 46 MET CB C 13 32.331 0.3 . 1 . . . . . 44 MET CB . 51984 1 259 . 1 . 1 46 46 MET N N 15 120.307 0.06 . 1 . . . . . 44 MET N . 51984 1 260 . 1 . 1 47 47 LEU H H 1 8.085 0.01 . 1 . . . . . 45 LEU H . 51984 1 261 . 1 . 1 47 47 LEU HA H 1 4.390 0.01 . 1 . . . . . 45 LEU HA . 51984 1 262 . 1 . 1 47 47 LEU C C 13 177.057 0.3 . 1 . . . . . 45 LEU C . 51984 1 263 . 1 . 1 47 47 LEU CA C 13 54.622 0.04 . 1 . . . . . 45 LEU CA . 51984 1 264 . 1 . 1 47 47 LEU CB C 13 42.317 0.3 . 1 . . . . . 45 LEU CB . 51984 1 265 . 1 . 1 47 47 LEU N N 15 123.117 0.06 . 1 . . . . . 45 LEU N . 51984 1 266 . 1 . 1 48 48 SER H H 1 8.509 0.01 . 1 . . . . . 46 SER H . 51984 1 267 . 1 . 1 48 48 SER HA H 1 4.779 0.01 . 1 . . . . . 46 SER HA . 51984 1 268 . 1 . 1 48 48 SER C C 13 173.297 0.3 . 1 . . . . . 46 SER C . 51984 1 269 . 1 . 1 48 48 SER CA C 13 55.823 0.04 . 1 . . . . . 46 SER CA . 51984 1 270 . 1 . 1 48 48 SER CB C 13 63.045 0.3 . 1 . . . . . 46 SER CB . 51984 1 271 . 1 . 1 48 48 SER N N 15 118.398 0.06 . 1 . . . . . 46 SER N . 51984 1 272 . 1 . 1 49 49 PRO HA H 1 4.404 0.01 . 1 . . . . . 47 PRO HA . 51984 1 273 . 1 . 1 49 49 PRO C C 13 176.974 0.3 . 1 . . . . . 47 PRO C . 51984 1 274 . 1 . 1 49 49 PRO CA C 13 63.544 0.04 . 1 . . . . . 47 PRO CA . 51984 1 275 . 1 . 1 49 49 PRO CB C 13 31.659 0.3 . 1 . . . . . 47 PRO CB . 51984 1 276 . 1 . 1 49 49 PRO N N 15 137.774 0.06 . 1 . . . . . 47 PRO N . 51984 1 277 . 1 . 1 50 50 ASP H H 1 8.213 0.01 . 1 . . . . . 48 ASP H . 51984 1 278 . 1 . 1 50 50 ASP C C 13 176.176 0.3 . 1 . . . . . 48 ASP C . 51984 1 279 . 1 . 1 50 50 ASP CA C 13 54.318 0.3 . 1 . . . . . 48 ASP CA . 51984 1 280 . 1 . 1 50 50 ASP CB C 13 40.555 0.3 . 1 . . . . . 48 ASP CB . 51984 1 281 . 1 . 1 50 50 ASP N N 15 118.754 0.06 . 1 . . . . . 48 ASP N . 51984 1 282 . 1 . 1 51 51 ASP H H 1 8.093 0.01 . 1 . . . . . 49 ASP H . 51984 1 283 . 1 . 1 51 51 ASP HA H 1 4.611 0.01 . 1 . . . . . 49 ASP HA . 51984 1 284 . 1 . 1 51 51 ASP C C 13 176.281 0.3 . 1 . . . . . 49 ASP C . 51984 1 285 . 1 . 1 51 51 ASP CA C 13 54.263 0.04 . 1 . . . . . 49 ASP CA . 51984 1 286 . 1 . 1 51 51 ASP CB C 13 41.076 0.3 . 1 . . . . . 49 ASP CB . 51984 1 287 . 1 . 1 51 51 ASP N N 15 120.161 0.06 . 1 . . . . . 49 ASP N . 51984 1 288 . 1 . 1 52 52 ILE H H 1 7.854 0.01 . 1 . . . . . 50 ILE H . 51984 1 289 . 1 . 1 52 52 ILE HA H 1 4.030 0.01 . 1 . . . . . 50 ILE HA . 51984 1 290 . 1 . 1 52 52 ILE C C 13 176.407 0.3 . 1 . . . . . 50 ILE C . 51984 1 291 . 1 . 1 52 52 ILE CA C 13 61.411 0.04 . 1 . . . . . 50 ILE CA . 51984 1 292 . 1 . 1 52 52 ILE CB C 13 38.541 0.3 . 1 . . . . . 50 ILE CB . 51984 1 293 . 1 . 1 52 52 ILE N N 15 120.190 0.06 . 1 . . . . . 50 ILE N . 51984 1 294 . 1 . 1 53 53 GLU H H 1 8.327 0.01 . 1 . . . . . 51 GLU H . 51984 1 295 . 1 . 1 53 53 GLU HA H 1 4.140 0.01 . 1 . . . . . 51 GLU HA . 51984 1 296 . 1 . 1 53 53 GLU C C 13 176.512 0.3 . 1 . . . . . 51 GLU C . 51984 1 297 . 1 . 1 53 53 GLU CA C 13 56.693 0.04 . 1 . . . . . 51 GLU CA . 51984 1 298 . 1 . 1 53 53 GLU CB C 13 29.226 0.3 . 1 . . . . . 51 GLU CB . 51984 1 299 . 1 . 1 53 53 GLU N N 15 123.626 0.06 . 1 . . . . . 51 GLU N . 51984 1 300 . 1 . 1 54 54 GLN H H 1 8.136 0.01 . 1 . . . . . 52 GLN H . 51984 1 301 . 1 . 1 54 54 GLN HA H 1 4.208 0.01 . 1 . . . . . 52 GLN HA . 51984 1 302 . 1 . 1 54 54 GLN C C 13 175.505 0.3 . 1 . . . . . 52 GLN C . 51984 1 303 . 1 . 1 54 54 GLN CA C 13 55.638 0.04 . 1 . . . . . 52 GLN CA . 51984 1 304 . 1 . 1 54 54 GLN CB C 13 29.174 0.3 . 1 . . . . . 52 GLN CB . 51984 1 305 . 1 . 1 54 54 GLN N N 15 120.367 0.06 . 1 . . . . . 52 GLN N . 51984 1 306 . 1 . 1 55 55 TRP H H 1 7.967 0.01 . 1 . . . . . 53 TRP H . 51984 1 307 . 1 . 1 55 55 TRP HA H 1 4.639 0.01 . 1 . . . . . 53 TRP HA . 51984 1 308 . 1 . 1 55 55 TRP C C 13 175.526 0.3 . 1 . . . . . 53 TRP C . 51984 1 309 . 1 . 1 55 55 TRP CA C 13 56.757 0.04 . 1 . . . . . 53 TRP CA . 51984 1 310 . 1 . 1 55 55 TRP CB C 13 29.226 0.3 . 1 . . . . . 53 TRP CB . 51984 1 311 . 1 . 1 55 55 TRP N N 15 121.451 0.06 . 1 . . . . . 53 TRP N . 51984 1 312 . 1 . 1 56 56 PHE H H 1 7.975 0.01 . 1 . . . . . 54 PHE H . 51984 1 313 . 1 . 1 56 56 PHE HA H 1 4.635 0.01 . 1 . . . . . 54 PHE HA . 51984 1 314 . 1 . 1 56 56 PHE C C 13 175.736 0.3 . 1 . . . . . 54 PHE C . 51984 1 315 . 1 . 1 56 56 PHE CA C 13 57.313 0.04 . 1 . . . . . 54 PHE CA . 51984 1 316 . 1 . 1 56 56 PHE CB C 13 39.464 0.3 . 1 . . . . . 54 PHE CB . 51984 1 317 . 1 . 1 56 56 PHE N N 15 121.344 0.06 . 1 . . . . . 54 PHE N . 51984 1 318 . 1 . 1 57 57 THR H H 1 7.982 0.01 . 1 . . . . . 55 THR H . 51984 1 319 . 1 . 1 57 57 THR HA H 1 4.263 0.01 . 1 . . . . . 55 THR HA . 51984 1 320 . 1 . 1 57 57 THR C C 13 173.806 0.3 . 1 . . . . . 55 THR C . 51984 1 321 . 1 . 1 57 57 THR CA C 13 61.269 0.04 . 1 . . . . . 55 THR CA . 51984 1 322 . 1 . 1 57 57 THR CB C 13 69.843 0.3 . 1 . . . . . 55 THR CB . 51984 1 323 . 1 . 1 57 57 THR N N 15 116.146 0.06 . 1 . . . . . 55 THR N . 51984 1 324 . 1 . 1 58 58 GLU H H 1 8.286 0.01 . 1 . . . . . 56 GLU H . 51984 1 325 . 1 . 1 58 58 GLU C C 13 175.673 0.3 . 1 . . . . . 56 GLU C . 51984 1 326 . 1 . 1 58 58 GLU CA C 13 56.080 0.3 . 1 . . . . . 56 GLU CA . 51984 1 327 . 1 . 1 58 58 GLU CB C 13 30.484 0.3 . 1 . . . . . 56 GLU CB . 51984 1 328 . 1 . 1 58 58 GLU N N 15 123.237 0.06 . 1 . . . . . 56 GLU N . 51984 1 329 . 1 . 1 59 59 ASP H H 1 8.435 0.01 . 1 . . . . . 57 ASP H . 51984 1 330 . 1 . 1 59 59 ASP HA H 1 4.834 0.01 . 1 . . . . . 57 ASP HA . 51984 1 331 . 1 . 1 59 59 ASP C C 13 174.372 0.3 . 1 . . . . . 57 ASP C . 51984 1 332 . 1 . 1 59 59 ASP CA C 13 52.128 0.04 . 1 . . . . . 57 ASP CA . 51984 1 333 . 1 . 1 59 59 ASP CB C 13 40.555 0.3 . 1 . . . . . 57 ASP CB . 51984 1 334 . 1 . 1 59 59 ASP N N 15 123.275 0.06 . 1 . . . . . 57 ASP N . 51984 1 335 . 1 . 1 60 60 PRO HA H 1 4.431 0.01 . 1 . . . . . 58 PRO HA . 51984 1 336 . 1 . 1 60 60 PRO C C 13 177.267 0.3 . 1 . . . . . 58 PRO C . 51984 1 337 . 1 . 1 60 60 PRO CA C 13 63.071 0.04 . 1 . . . . . 58 PRO CA . 51984 1 338 . 1 . 1 60 60 PRO CB C 13 31.743 0.3 . 1 . . . . . 58 PRO CB . 51984 1 339 . 1 . 1 60 60 PRO N N 15 136.550 0.06 . 1 . . . . . 58 PRO N . 51984 1 340 . 1 . 1 61 61 GLY H H 1 8.393 0.01 . 1 . . . . . 59 GLY H . 51984 1 341 . 1 . 1 61 61 GLY C C 13 172.235 0.3 . 1 . . . . . 59 GLY C . 51984 1 342 . 1 . 1 61 61 GLY CA C 13 44.163 0.3 . 1 . . . . . 59 GLY CA . 51984 1 343 . 1 . 1 61 61 GLY N N 15 109.289 0.06 . 1 . . . . . 59 GLY N . 51984 1 344 . 1 . 1 62 62 PRO HA H 1 4.411 0.01 . 1 . . . . . 60 PRO HA . 51984 1 345 . 1 . 1 62 62 PRO C C 13 176.973 0.3 . 1 . . . . . 60 PRO C . 51984 1 346 . 1 . 1 62 62 PRO CA C 13 63.217 0.04 . 1 . . . . . 60 PRO CA . 51984 1 347 . 1 . 1 62 62 PRO CB C 13 31.659 0.3 . 1 . . . . . 60 PRO CB . 51984 1 348 . 1 . 1 62 62 PRO N N 15 133.736 0.06 . 1 . . . . . 60 PRO N . 51984 1 349 . 1 . 1 63 63 ASP H H 1 8.441 0.01 . 1 . . . . . 61 ASP H . 51984 1 350 . 1 . 1 63 63 ASP HA H 1 4.581 0.01 . 1 . . . . . 61 ASP HA . 51984 1 351 . 1 . 1 63 63 ASP C C 13 176.092 0.3 . 1 . . . . . 61 ASP C . 51984 1 352 . 1 . 1 63 63 ASP CA C 13 54.247 0.04 . 1 . . . . . 61 ASP CA . 51984 1 353 . 1 . 1 63 63 ASP CB C 13 40.471 0.3 . 1 . . . . . 61 ASP CB . 51984 1 354 . 1 . 1 63 63 ASP N N 15 119.692 0.06 . 1 . . . . . 61 ASP N . 51984 1 355 . 1 . 1 64 64 GLU H H 1 8.089 0.01 . 1 . . . . . 62 GLU H . 51984 1 356 . 1 . 1 64 64 GLU HA H 1 4.276 0.01 . 1 . . . . . 62 GLU HA . 51984 1 357 . 1 . 1 64 64 GLU C C 13 175.736 0.3 . 1 . . . . . 62 GLU C . 51984 1 358 . 1 . 1 64 64 GLU CA C 13 55.875 0.04 . 1 . . . . . 62 GLU CA . 51984 1 359 . 1 . 1 64 64 GLU CB C 13 30.400 0.3 . 1 . . . . . 62 GLU CB . 51984 1 360 . 1 . 1 64 64 GLU N N 15 120.660 0.06 . 1 . . . . . 62 GLU N . 51984 1 361 . 1 . 1 65 65 ALA H H 1 8.250 0.01 . 1 . . . . . 63 ALA H . 51984 1 362 . 1 . 1 65 65 ALA HA H 1 4.543 0.01 . 1 . . . . . 63 ALA HA . 51984 1 363 . 1 . 1 65 65 ALA C C 13 175.295 0.3 . 1 . . . . . 63 ALA C . 51984 1 364 . 1 . 1 65 65 ALA CA C 13 50.435 0.04 . 1 . . . . . 63 ALA CA . 51984 1 365 . 1 . 1 65 65 ALA CB C 13 17.922 0.3 . 1 . . . . . 63 ALA CB . 51984 1 366 . 1 . 1 65 65 ALA N N 15 126.489 0.06 . 1 . . . . . 63 ALA N . 51984 1 367 . 1 . 1 66 66 PRO HA H 1 4.393 0.01 . 1 . . . . . 64 PRO HA . 51984 1 368 . 1 . 1 66 66 PRO CA C 13 62.687 0.04 . 1 . . . . . 64 PRO CA . 51984 1 369 . 1 . 1 66 66 PRO CB C 13 31.659 0.3 . 1 . . . . . 64 PRO CB . 51984 1 370 . 1 . 1 66 66 PRO N N 15 135.351 0.06 . 1 . . . . . 64 PRO N . 51984 1 371 . 1 . 1 67 67 ARG H H 1 8.454 0.01 . 1 . . . . . 65 ARG H . 51984 1 372 . 1 . 1 67 67 ARG HA H 1 4.316 0.01 . 1 . . . . . 65 ARG HA . 51984 1 373 . 1 . 1 67 67 ARG C C 13 176.239 0.3 . 1 . . . . . 65 ARG C . 51984 1 374 . 1 . 1 67 67 ARG CA C 13 55.527 0.04 . 1 . . . . . 65 ARG CA . 51984 1 375 . 1 . 1 67 67 ARG CB C 13 30.441 0.3 . 1 . . . . . 65 ARG CB . 51984 1 376 . 1 . 1 67 67 ARG N N 15 121.891 0.06 . 1 . . . . . 65 ARG N . 51984 1 377 . 1 . 1 68 68 MET H H 1 8.461 0.01 . 1 . . . . . 66 MET H . 51984 1 378 . 1 . 1 68 68 MET HA H 1 4.791 0.01 . 1 . . . . . 66 MET HA . 51984 1 379 . 1 . 1 68 68 MET C C 13 174.330 0.3 . 1 . . . . . 66 MET C . 51984 1 380 . 1 . 1 68 68 MET CA C 13 52.949 0.04 . 1 . . . . . 66 MET CA . 51984 1 381 . 1 . 1 68 68 MET CB C 13 32.305 0.3 . 1 . . . . . 66 MET CB . 51984 1 382 . 1 . 1 68 68 MET N N 15 123.151 0.06 . 1 . . . . . 66 MET N . 51984 1 383 . 1 . 1 69 69 PRO HA H 1 4.386 0.01 . 1 . . . . . 67 PRO HA . 51984 1 384 . 1 . 1 69 69 PRO C C 13 176.806 0.3 . 1 . . . . . 67 PRO C . 51984 1 385 . 1 . 1 69 69 PRO CA C 13 63.010 0.04 . 1 . . . . . 67 PRO CA . 51984 1 386 . 1 . 1 69 69 PRO CB C 13 31.659 0.3 . 1 . . . . . 67 PRO CB . 51984 1 387 . 1 . 1 69 69 PRO N N 15 136.746 0.06 . 1 . . . . . 67 PRO N . 51984 1 388 . 1 . 1 70 70 GLU H H 1 8.529 0.01 . 1 . . . . . 68 GLU H . 51984 1 389 . 1 . 1 70 70 GLU HA H 1 4.217 0.01 . 1 . . . . . 68 GLU HA . 51984 1 390 . 1 . 1 70 70 GLU C C 13 176.113 0.3 . 1 . . . . . 68 GLU C . 51984 1 391 . 1 . 1 70 70 GLU CA C 13 56.266 0.04 . 1 . . . . . 68 GLU CA . 51984 1 392 . 1 . 1 70 70 GLU CB C 13 29.813 0.3 . 1 . . . . . 68 GLU CB . 51984 1 393 . 1 . 1 70 70 GLU N N 15 121.019 0.06 . 1 . . . . . 68 GLU N . 51984 1 394 . 1 . 1 71 71 ALA H H 1 8.286 0.01 . 1 . . . . . 69 ALA H . 51984 1 395 . 1 . 1 71 71 ALA HA H 1 4.289 0.01 . 1 . . . . . 69 ALA HA . 51984 1 396 . 1 . 1 71 71 ALA C C 13 176.974 0.3 . 1 . . . . . 69 ALA C . 51984 1 397 . 1 . 1 71 71 ALA CA C 13 51.929 0.04 . 1 . . . . . 69 ALA CA . 51984 1 398 . 1 . 1 71 71 ALA CB C 13 19.188 0.3 . 1 . . . . . 69 ALA CB . 51984 1 399 . 1 . 1 71 71 ALA N N 15 125.270 0.06 . 1 . . . . . 69 ALA N . 51984 1 400 . 1 . 1 72 72 ALA H H 1 8.195 0.01 . 1 . . . . . 70 ALA H . 51984 1 401 . 1 . 1 72 72 ALA HA H 1 4.583 0.01 . 1 . . . . . 70 ALA HA . 51984 1 402 . 1 . 1 72 72 ALA C C 13 175.379 0.3 . 1 . . . . . 70 ALA C . 51984 1 403 . 1 . 1 72 72 ALA CA C 13 50.120 0.04 . 1 . . . . . 70 ALA CA . 51984 1 404 . 1 . 1 72 72 ALA CB C 13 17.938 0.3 . 1 . . . . . 70 ALA CB . 51984 1 405 . 1 . 1 72 72 ALA N N 15 124.630 0.06 . 1 . . . . . 70 ALA N . 51984 1 406 . 1 . 1 73 73 PRO CA C 13 62.764 0.3 . 1 . . . . . 71 PRO CA . 51984 1 407 . 1 . 1 73 73 PRO CB C 13 31.681 0.3 . 1 . . . . . 71 PRO CB . 51984 1 408 . 1 . 1 73 73 PRO N N 15 135.584 0.06 . 1 . . . . . 71 PRO N . 51984 1 409 . 1 . 1 74 74 ARG H H 1 8.453 0.01 . 1 . . . . . 72 ARG H . 51984 1 410 . 1 . 1 74 74 ARG HA H 1 4.345 0.01 . 1 . . . . . 72 ARG HA . 51984 1 411 . 1 . 1 74 74 ARG C C 13 176.176 0.3 . 1 . . . . . 72 ARG C . 51984 1 412 . 1 . 1 74 74 ARG CA C 13 55.593 0.04 . 1 . . . . . 72 ARG CA . 51984 1 413 . 1 . 1 74 74 ARG CB C 13 30.400 0.3 . 1 . . . . . 72 ARG CB . 51984 1 414 . 1 . 1 74 74 ARG N N 15 121.802 0.06 . 1 . . . . . 72 ARG N . 51984 1 415 . 1 . 1 75 75 VAL H H 1 8.172 0.01 . 1 . . . . . 73 VAL H . 51984 1 416 . 1 . 1 75 75 VAL HA H 1 4.114 0.01 . 1 . . . . . 73 VAL HA . 51984 1 417 . 1 . 1 75 75 VAL C C 13 175.358 0.3 . 1 . . . . . 73 VAL C . 51984 1 418 . 1 . 1 75 75 VAL CA C 13 61.502 0.04 . 1 . . . . . 73 VAL CA . 51984 1 419 . 1 . 1 75 75 VAL CB C 13 32.918 0.3 . 1 . . . . . 73 VAL CB . 51984 1 420 . 1 . 1 75 75 VAL N N 15 121.949 0.06 . 1 . . . . . 73 VAL N . 51984 1 421 . 1 . 1 76 76 ALA H H 1 8.430 0.01 . 1 . . . . . 74 ALA H . 51984 1 422 . 1 . 1 76 76 ALA HA H 1 4.563 0.01 . 1 . . . . . 74 ALA HA . 51984 1 423 . 1 . 1 76 76 ALA C C 13 176.323 0.3 . 1 . . . . . 74 ALA C . 51984 1 424 . 1 . 1 76 76 ALA CA C 13 50.101 0.04 . 1 . . . . . 74 ALA CA . 51984 1 425 . 1 . 1 76 76 ALA CB C 13 17.948 0.3 . 1 . . . . . 74 ALA CB . 51984 1 426 . 1 . 1 76 76 ALA N N 15 129.772 0.06 . 1 . . . . . 74 ALA N . 51984 1 427 . 1 . 1 77 77 PRO HA H 1 4.395 0.01 . 1 . . . . . 75 PRO HA . 51984 1 428 . 1 . 1 77 77 PRO C C 13 176.176 0.3 . 1 . . . . . 75 PRO C . 51984 1 429 . 1 . 1 77 77 PRO CA C 13 62.412 0.04 . 1 . . . . . 75 PRO CA . 51984 1 430 . 1 . 1 77 77 PRO CB C 13 31.711 0.3 . 1 . . . . . 75 PRO CB . 51984 1 431 . 1 . 1 77 77 PRO N N 15 135.376 0.06 . 1 . . . . . 75 PRO N . 51984 1 432 . 1 . 1 78 78 ALA H H 1 8.364 0.01 . 1 . . . . . 76 ALA H . 51984 1 433 . 1 . 1 78 78 ALA HA H 1 4.555 0.01 . 1 . . . . . 76 ALA HA . 51984 1 434 . 1 . 1 78 78 ALA C C 13 175.526 0.3 . 1 . . . . . 76 ALA C . 51984 1 435 . 1 . 1 78 78 ALA CA C 13 50.104 0.04 . 1 . . . . . 76 ALA CA . 51984 1 436 . 1 . 1 78 78 ALA CB C 13 17.938 0.3 . 1 . . . . . 76 ALA CB . 51984 1 437 . 1 . 1 78 78 ALA N N 15 125.765 0.06 . 1 . . . . . 76 ALA N . 51984 1 438 . 1 . 1 79 79 PRO C C 13 176.491 0.3 . 1 . . . . . 77 PRO C . 51984 1 439 . 1 . 1 79 79 PRO CA C 13 62.968 0.3 . 1 . . . . . 77 PRO CA . 51984 1 440 . 1 . 1 79 79 PRO CB C 13 31.711 0.3 . 1 . . . . . 77 PRO CB . 51984 1 441 . 1 . 1 79 79 PRO N N 15 135.351 0.06 . 1 . . . . . 77 PRO N . 51984 1 442 . 1 . 1 80 80 ALA H H 1 8.350 0.01 . 1 . . . . . 78 ALA H . 51984 1 443 . 1 . 1 80 80 ALA HA H 1 4.272 0.01 . 1 . . . . . 78 ALA HA . 51984 1 444 . 1 . 1 80 80 ALA C C 13 177.099 0.3 . 1 . . . . . 78 ALA C . 51984 1 445 . 1 . 1 80 80 ALA CA C 13 51.844 0.04 . 1 . . . . . 78 ALA CA . 51984 1 446 . 1 . 1 80 80 ALA CB C 13 19.136 0.3 . 1 . . . . . 78 ALA CB . 51984 1 447 . 1 . 1 80 80 ALA N N 15 124.591 0.06 . 1 . . . . . 78 ALA N . 51984 1 448 . 1 . 1 81 81 ALA H H 1 8.273 0.01 . 1 . . . . . 79 ALA H . 51984 1 449 . 1 . 1 81 81 ALA HA H 1 4.581 0.01 . 1 . . . . . 79 ALA HA . 51984 1 450 . 1 . 1 81 81 ALA C C 13 175.673 0.3 . 1 . . . . . 79 ALA C . 51984 1 451 . 1 . 1 81 81 ALA CA C 13 50.038 0.04 . 1 . . . . . 79 ALA CA . 51984 1 452 . 1 . 1 81 81 ALA CB C 13 17.938 0.3 . 1 . . . . . 79 ALA CB . 51984 1 453 . 1 . 1 81 81 ALA N N 15 124.898 0.06 . 1 . . . . . 79 ALA N . 51984 1 454 . 1 . 1 82 82 PRO HA H 1 4.471 0.01 . 1 . . . . . 80 PRO HA . 51984 1 455 . 1 . 1 82 82 PRO C C 13 177.141 0.3 . 1 . . . . . 80 PRO C . 51984 1 456 . 1 . 1 82 82 PRO CA C 13 62.630 0.04 . 1 . . . . . 80 PRO CA . 51984 1 457 . 1 . 1 82 82 PRO CB C 13 31.659 0.3 . 1 . . . . . 80 PRO CB . 51984 1 458 . 1 . 1 82 82 PRO N N 15 135.315 0.06 . 1 . . . . . 80 PRO N . 51984 1 459 . 1 . 1 83 83 THR H H 1 8.306 0.01 . 1 . . . . . 81 THR H . 51984 1 460 . 1 . 1 83 83 THR HA H 1 4.563 0.01 . 1 . . . . . 81 THR HA . 51984 1 461 . 1 . 1 83 83 THR CA C 13 59.578 0.04 . 1 . . . . . 81 THR CA . 51984 1 462 . 1 . 1 83 83 THR CB C 13 69.255 0.3 . 1 . . . . . 81 THR CB . 51984 1 463 . 1 . 1 83 83 THR N N 15 117.407 0.06 . 1 . . . . . 81 THR N . 51984 1 464 . 1 . 1 84 84 PRO HA H 1 4.384 0.01 . 1 . . . . . 82 PRO HA . 51984 1 465 . 1 . 1 84 84 PRO CA C 13 62.879 0.04 . 1 . . . . . 82 PRO CA . 51984 1 466 . 1 . 1 84 84 PRO CB C 13 31.659 0.3 . 1 . . . . . 82 PRO CB . 51984 1 467 . 1 . 1 84 84 PRO N N 15 138.900 0.06 . 1 . . . . . 82 PRO N . 51984 1 468 . 1 . 1 85 85 ALA H H 1 8.350 0.01 . 1 . . . . . 83 ALA H . 51984 1 469 . 1 . 1 85 85 ALA HA H 1 4.264 0.01 . 1 . . . . . 83 ALA HA . 51984 1 470 . 1 . 1 85 85 ALA CA C 13 51.913 0.04 . 1 . . . . . 83 ALA CA . 51984 1 471 . 1 . 1 85 85 ALA CB C 13 19.189 0.3 . 1 . . . . . 83 ALA CB . 51984 1 472 . 1 . 1 85 85 ALA N N 15 124.602 0.06 . 1 . . . . . 83 ALA N . 51984 1 473 . 1 . 1 86 86 ALA H H 1 8.245 0.01 . 1 . . . . . 84 ALA H . 51984 1 474 . 1 . 1 86 86 ALA HA H 1 4.564 0.01 . 1 . . . . . 84 ALA HA . 51984 1 475 . 1 . 1 86 86 ALA CA C 13 50.055 0.04 . 1 . . . . . 84 ALA CA . 51984 1 476 . 1 . 1 86 86 ALA CB C 13 17.940 0.3 . 1 . . . . . 84 ALA CB . 51984 1 477 . 1 . 1 86 86 ALA N N 15 124.878 0.06 . 1 . . . . . 84 ALA N . 51984 1 478 . 1 . 1 87 87 PRO HA H 1 4.391 0.01 . 1 . . . . . 85 PRO HA . 51984 1 479 . 1 . 1 87 87 PRO CA C 13 62.497 0.04 . 1 . . . . . 85 PRO CA . 51984 1 480 . 1 . 1 87 87 PRO CB C 13 31.659 0.3 . 1 . . . . . 85 PRO CB . 51984 1 481 . 1 . 1 87 87 PRO N N 15 135.323 0.06 . 1 . . . . . 85 PRO N . 51984 1 482 . 1 . 1 88 88 ALA H H 1 8.357 0.01 . 1 . . . . . 86 ALA H . 51984 1 483 . 1 . 1 88 88 ALA HA H 1 4.569 0.01 . 1 . . . . . 86 ALA HA . 51984 1 484 . 1 . 1 88 88 ALA CA C 13 50.089 0.04 . 1 . . . . . 86 ALA CA . 51984 1 485 . 1 . 1 88 88 ALA CB C 13 17.938 0.3 . 1 . . . . . 86 ALA CB . 51984 1 486 . 1 . 1 88 88 ALA N N 15 125.786 0.06 . 1 . . . . . 86 ALA N . 51984 1 487 . 1 . 1 89 89 PRO HA H 1 4.363 0.01 . 1 . . . . . 87 PRO HA . 51984 1 488 . 1 . 1 89 89 PRO C C 13 176.176 0.3 . 1 . . . . . 87 PRO C . 51984 1 489 . 1 . 1 89 89 PRO CA C 13 62.445 0.04 . 1 . . . . . 87 PRO CA . 51984 1 490 . 1 . 1 89 89 PRO CB C 13 31.770 0.3 . 1 . . . . . 87 PRO CB . 51984 1 491 . 1 . 1 89 89 PRO N N 15 135.351 0.06 . 1 . . . . . 87 PRO N . 51984 1 492 . 1 . 1 90 90 ALA H H 1 8.299 0.01 . 1 . . . . . 88 ALA H . 51984 1 493 . 1 . 1 90 90 ALA CA C 13 49.794 0.3 . 1 . . . . . 88 ALA CA . 51984 1 494 . 1 . 1 90 90 ALA CB C 13 17.938 0.3 . 1 . . . . . 88 ALA CB . 51984 1 495 . 1 . 1 90 90 ALA N N 15 125.672 0.06 . 1 . . . . . 88 ALA N . 51984 1 496 . 1 . 1 91 91 PRO HA H 1 4.309 0.01 . 1 . . . . . 89 PRO HA . 51984 1 497 . 1 . 1 91 91 PRO C C 13 176.491 0.3 . 1 . . . . . 89 PRO C . 51984 1 498 . 1 . 1 91 91 PRO CA C 13 62.725 0.04 . 1 . . . . . 89 PRO CA . 51984 1 499 . 1 . 1 91 91 PRO CB C 13 31.659 0.3 . 1 . . . . . 89 PRO CB . 51984 1 500 . 1 . 1 91 91 PRO N N 15 135.351 0.06 . 1 . . . . . 89 PRO N . 51984 1 501 . 1 . 1 92 92 SER H H 1 8.132 0.01 . 1 . . . . . 90 SER H . 51984 1 502 . 1 . 1 92 92 SER HA H 1 4.351 0.01 . 1 . . . . . 90 SER HA . 51984 1 503 . 1 . 1 92 92 SER C C 13 173.680 0.3 . 1 . . . . . 90 SER C . 51984 1 504 . 1 . 1 92 92 SER CA C 13 57.680 0.04 . 1 . . . . . 90 SER CA . 51984 1 505 . 1 . 1 92 92 SER CB C 13 63.549 0.3 . 1 . . . . . 90 SER CB . 51984 1 506 . 1 . 1 92 92 SER N N 15 115.589 0.06 . 1 . . . . . 90 SER N . 51984 1 507 . 1 . 1 93 93 TRP H H 1 8.070 0.01 . 1 . . . . . 91 TRP H . 51984 1 508 . 1 . 1 93 93 TRP HA H 1 4.997 0.01 . 1 . . . . . 91 TRP HA . 51984 1 509 . 1 . 1 93 93 TRP C C 13 174.309 0.3 . 1 . . . . . 91 TRP C . 51984 1 510 . 1 . 1 93 93 TRP CA C 13 54.642 0.04 . 1 . . . . . 91 TRP CA . 51984 1 511 . 1 . 1 93 93 TRP CB C 13 28.638 0.3 . 1 . . . . . 91 TRP CB . 51984 1 512 . 1 . 1 93 93 TRP N N 15 123.851 0.06 . 1 . . . . . 91 TRP N . 51984 1 513 . 1 . 1 94 94 PRO HA H 1 4.440 0.01 . 1 . . . . . 92 PRO HA . 51984 1 514 . 1 . 1 94 94 PRO CA C 13 63.002 0.04 . 1 . . . . . 92 PRO CA . 51984 1 515 . 1 . 1 94 94 PRO CB C 13 31.659 0.3 . 1 . . . . . 92 PRO CB . 51984 1 516 . 1 . 1 94 94 PRO N N 15 136.957 0.06 . 1 . . . . . 92 PRO N . 51984 1 517 . 1 . 1 95 95 LEU H H 1 8.270 0.01 . 1 . . . . . 93 LEU H . 51984 1 518 . 1 . 1 95 95 LEU HA H 1 4.376 0.01 . 1 . . . . . 93 LEU HA . 51984 1 519 . 1 . 1 95 95 LEU C C 13 176.890 0.3 . 1 . . . . . 93 LEU C . 51984 1 520 . 1 . 1 95 95 LEU CA C 13 55.115 0.04 . 1 . . . . . 93 LEU CA . 51984 1 521 . 1 . 1 95 95 LEU CB C 13 41.814 0.3 . 1 . . . . . 93 LEU CB . 51984 1 522 . 1 . 1 95 95 LEU N N 15 122.097 0.06 . 1 . . . . . 93 LEU N . 51984 1 523 . 1 . 1 96 96 SER H H 1 8.275 0.01 . 1 . . . . . 94 SER H . 51984 1 524 . 1 . 1 96 96 SER HA H 1 4.457 0.1 . 1 . . . . . 94 SER HA . 51984 1 525 . 1 . 1 96 96 SER CA C 13 57.926 0.3 . 1 . . . . . 94 SER CA . 51984 1 526 . 1 . 1 96 96 SER CB C 13 63.549 0.3 . 1 . . . . . 94 SER CB . 51984 1 527 . 1 . 1 96 96 SER N N 15 115.941 0.06 . 1 . . . . . 94 SER N . 51984 1 528 . 1 . 1 97 97 SER CA C 13 57.926 0.3 . 1 . . . . . 95 SER CA . 51984 1 529 . 1 . 1 97 97 SER CB C 13 63.564 0.3 . 1 . . . . . 95 SER CB . 51984 1 530 . 1 . 1 98 98 SER C C 13 173.994 0.3 . 1 . . . . . 96 SER C . 51984 1 531 . 1 . 1 98 98 SER CA C 13 57.926 0.3 . 1 . . . . . 96 SER CA . 51984 1 532 . 1 . 1 98 98 SER CB C 13 63.564 0.3 . 1 . . . . . 96 SER CB . 51984 1 533 . 1 . 1 99 99 VAL H H 1 8.102 0.01 . 1 . . . . . 97 VAL H . 51984 1 534 . 1 . 1 99 99 VAL HA H 1 4.422 0.01 . 1 . . . . . 97 VAL HA . 51984 1 535 . 1 . 1 99 99 VAL C C 13 174.456 0.3 . 1 . . . . . 97 VAL C . 51984 1 536 . 1 . 1 99 99 VAL CA C 13 59.632 0.04 . 1 . . . . . 97 VAL CA . 51984 1 537 . 1 . 1 99 99 VAL CB C 13 32.331 0.3 . 1 . . . . . 97 VAL CB . 51984 1 538 . 1 . 1 99 99 VAL N N 15 122.979 0.06 . 1 . . . . . 97 VAL N . 51984 1 539 . 1 . 1 100 100 PRO HA H 1 4.437 0.01 . 1 . . . . . 98 PRO HA . 51984 1 540 . 1 . 1 100 100 PRO C C 13 176.827 0.3 . 1 . . . . . 98 PRO C . 51984 1 541 . 1 . 1 100 100 PRO CA C 13 62.998 0.04 . 1 . . . . . 98 PRO CA . 51984 1 542 . 1 . 1 100 100 PRO CB C 13 31.743 0.3 . 1 . . . . . 98 PRO CB . 51984 1 543 . 1 . 1 100 100 PRO N N 15 139.688 0.06 . 1 . . . . . 98 PRO N . 51984 1 544 . 1 . 1 101 101 SER H H 1 8.424 0.01 . 1 . . . . . 99 SER H . 51984 1 545 . 1 . 1 101 101 SER HA H 1 4.403 0.01 . 1 . . . . . 99 SER HA . 51984 1 546 . 1 . 1 101 101 SER C C 13 173.680 0.3 . 1 . . . . . 99 SER C . 51984 1 547 . 1 . 1 101 101 SER CA C 13 58.224 0.04 . 1 . . . . . 99 SER CA . 51984 1 548 . 1 . 1 101 101 SER CB C 13 63.549 0.3 . 1 . . . . . 99 SER CB . 51984 1 549 . 1 . 1 101 101 SER N N 15 116.733 0.06 . 1 . . . . . 99 SER N . 51984 1 550 . 1 . 1 102 102 GLN H H 1 7.991 0.01 . 1 . . . . . 100 GLN H . 51984 1 551 . 1 . 1 102 102 GLN HA H 1 4.190 0.01 . 1 . . . . . 100 GLN HA . 51984 1 552 . 1 . 1 102 102 GLN C C 13 180.393 0.3 . 1 . . . . . 100 GLN C . 51984 1 553 . 1 . 1 102 102 GLN CA C 13 57.153 0.04 . 1 . . . . . 100 GLN CA . 51984 1 554 . 1 . 1 102 102 GLN CB C 13 30.454 0.3 . 1 . . . . . 100 GLN CB . 51984 1 555 . 1 . 1 102 102 GLN N N 15 126.669 0.06 . 1 . . . . . 100 GLN N . 51984 1 stop_ save_