data_52028 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52028 _Entry.Title ; Mdm2 aa111-230 4C4A human ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-07-12 _Entry.Accession_date 2023-07-12 _Entry.Last_release_date 2023-07-13 _Entry.Original_release_date 2023-07-13 _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 ; Assignment of 1H/13C/15N resonances of a peptide fragment of human Mdm2 : amino acids 111 to 230, 4 cysteines mutated into 4 alanines. ; _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 Francois-Xavier Theillet . . . . 52028 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52028 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 353 52028 '15N chemical shifts' 115 52028 '1H chemical shifts' 115 52028 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 . . 2023-07-21 . original BMRB . 52028 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52028 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural characterization of the MDM2 NLS/NES/arrestin-binding/acidic domain in phospho- and unmodified-forms ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Francois-Xavier Theillet . . . . 52028 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID CK1 52028 1 IDP 52028 1 IDR 52028 1 Mdm2 52028 1 p53 52028 1 phosphorylation 52028 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52028 _Assembly.ID 1 _Assembly.Name 'Mdm2 aa111-230 4C4A' _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 'Mdm2 aa111-230 4C4A' 1 $entity_1 . . yes native no no . . . 52028 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Disordered region of the E3-ubiquitin ligase Mdm2' 52028 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52028 _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 ; GNQQESSDSGTSVSENRAHL EGGSDQKDLVQELQEEKPSS SHLVSRPSTSSRRRAISETE ENSDELSGERQRKRHKSDSI SLSFDESLALAVIREIAAER SSSSESTGTPSNPDLDAGVS E ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; One supplementary Glycine in N-terminal, remaining from Tev-motif (ENLYFQG) after cleavage by Tev-protease. Four Alanine-mutations of the 4 cysteine residues : C127A-C200A-C206A-C207A. ; _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 121 _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 C127A-C200A-C206A-C207A _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_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Disordered region of the E3-ubiquitin ligase Mdm2' 52028 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 52028 1 2 . ASN . 52028 1 3 . GLN . 52028 1 4 . GLN . 52028 1 5 . GLU . 52028 1 6 . SER . 52028 1 7 . SER . 52028 1 8 . ASP . 52028 1 9 . SER . 52028 1 10 . GLY . 52028 1 11 . THR . 52028 1 12 . SER . 52028 1 13 . VAL . 52028 1 14 . SER . 52028 1 15 . GLU . 52028 1 16 . ASN . 52028 1 17 . ARG . 52028 1 18 . ALA . 52028 1 19 . HIS . 52028 1 20 . LEU . 52028 1 21 . GLU . 52028 1 22 . GLY . 52028 1 23 . GLY . 52028 1 24 . SER . 52028 1 25 . ASP . 52028 1 26 . GLN . 52028 1 27 . LYS . 52028 1 28 . ASP . 52028 1 29 . LEU . 52028 1 30 . VAL . 52028 1 31 . GLN . 52028 1 32 . GLU . 52028 1 33 . LEU . 52028 1 34 . GLN . 52028 1 35 . GLU . 52028 1 36 . GLU . 52028 1 37 . LYS . 52028 1 38 . PRO . 52028 1 39 . SER . 52028 1 40 . SER . 52028 1 41 . SER . 52028 1 42 . HIS . 52028 1 43 . LEU . 52028 1 44 . VAL . 52028 1 45 . SER . 52028 1 46 . ARG . 52028 1 47 . PRO . 52028 1 48 . SER . 52028 1 49 . THR . 52028 1 50 . SER . 52028 1 51 . SER . 52028 1 52 . ARG . 52028 1 53 . ARG . 52028 1 54 . ARG . 52028 1 55 . ALA . 52028 1 56 . ILE . 52028 1 57 . SER . 52028 1 58 . GLU . 52028 1 59 . THR . 52028 1 60 . GLU . 52028 1 61 . GLU . 52028 1 62 . ASN . 52028 1 63 . SER . 52028 1 64 . ASP . 52028 1 65 . GLU . 52028 1 66 . LEU . 52028 1 67 . SER . 52028 1 68 . GLY . 52028 1 69 . GLU . 52028 1 70 . ARG . 52028 1 71 . GLN . 52028 1 72 . ARG . 52028 1 73 . LYS . 52028 1 74 . ARG . 52028 1 75 . HIS . 52028 1 76 . LYS . 52028 1 77 . SER . 52028 1 78 . ASP . 52028 1 79 . SER . 52028 1 80 . ILE . 52028 1 81 . SER . 52028 1 82 . LEU . 52028 1 83 . SER . 52028 1 84 . PHE . 52028 1 85 . ASP . 52028 1 86 . GLU . 52028 1 87 . SER . 52028 1 88 . LEU . 52028 1 89 . ALA . 52028 1 90 . LEU . 52028 1 91 . ALA . 52028 1 92 . VAL . 52028 1 93 . ILE . 52028 1 94 . ARG . 52028 1 95 . GLU . 52028 1 96 . ILE . 52028 1 97 . ALA . 52028 1 98 . ALA . 52028 1 99 . GLU . 52028 1 100 . ARG . 52028 1 101 . SER . 52028 1 102 . SER . 52028 1 103 . SER . 52028 1 104 . SER . 52028 1 105 . GLU . 52028 1 106 . SER . 52028 1 107 . THR . 52028 1 108 . GLY . 52028 1 109 . THR . 52028 1 110 . PRO . 52028 1 111 . SER . 52028 1 112 . ASN . 52028 1 113 . PRO . 52028 1 114 . ASP . 52028 1 115 . LEU . 52028 1 116 . ASP . 52028 1 117 . ALA . 52028 1 118 . GLY . 52028 1 119 . VAL . 52028 1 120 . SER . 52028 1 121 . GLU . 52028 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 52028 1 . ASN 2 2 52028 1 . GLN 3 3 52028 1 . GLN 4 4 52028 1 . GLU 5 5 52028 1 . SER 6 6 52028 1 . SER 7 7 52028 1 . ASP 8 8 52028 1 . SER 9 9 52028 1 . GLY 10 10 52028 1 . THR 11 11 52028 1 . SER 12 12 52028 1 . VAL 13 13 52028 1 . SER 14 14 52028 1 . GLU 15 15 52028 1 . ASN 16 16 52028 1 . ARG 17 17 52028 1 . ALA 18 18 52028 1 . HIS 19 19 52028 1 . LEU 20 20 52028 1 . GLU 21 21 52028 1 . GLY 22 22 52028 1 . GLY 23 23 52028 1 . SER 24 24 52028 1 . ASP 25 25 52028 1 . GLN 26 26 52028 1 . LYS 27 27 52028 1 . ASP 28 28 52028 1 . LEU 29 29 52028 1 . VAL 30 30 52028 1 . GLN 31 31 52028 1 . GLU 32 32 52028 1 . LEU 33 33 52028 1 . GLN 34 34 52028 1 . GLU 35 35 52028 1 . GLU 36 36 52028 1 . LYS 37 37 52028 1 . PRO 38 38 52028 1 . SER 39 39 52028 1 . SER 40 40 52028 1 . SER 41 41 52028 1 . HIS 42 42 52028 1 . LEU 43 43 52028 1 . VAL 44 44 52028 1 . SER 45 45 52028 1 . ARG 46 46 52028 1 . PRO 47 47 52028 1 . SER 48 48 52028 1 . THR 49 49 52028 1 . SER 50 50 52028 1 . SER 51 51 52028 1 . ARG 52 52 52028 1 . ARG 53 53 52028 1 . ARG 54 54 52028 1 . ALA 55 55 52028 1 . ILE 56 56 52028 1 . SER 57 57 52028 1 . GLU 58 58 52028 1 . THR 59 59 52028 1 . GLU 60 60 52028 1 . GLU 61 61 52028 1 . ASN 62 62 52028 1 . SER 63 63 52028 1 . ASP 64 64 52028 1 . GLU 65 65 52028 1 . LEU 66 66 52028 1 . SER 67 67 52028 1 . GLY 68 68 52028 1 . GLU 69 69 52028 1 . ARG 70 70 52028 1 . GLN 71 71 52028 1 . ARG 72 72 52028 1 . LYS 73 73 52028 1 . ARG 74 74 52028 1 . HIS 75 75 52028 1 . LYS 76 76 52028 1 . SER 77 77 52028 1 . ASP 78 78 52028 1 . SER 79 79 52028 1 . ILE 80 80 52028 1 . SER 81 81 52028 1 . LEU 82 82 52028 1 . SER 83 83 52028 1 . PHE 84 84 52028 1 . ASP 85 85 52028 1 . GLU 86 86 52028 1 . SER 87 87 52028 1 . LEU 88 88 52028 1 . ALA 89 89 52028 1 . LEU 90 90 52028 1 . ALA 91 91 52028 1 . VAL 92 92 52028 1 . ILE 93 93 52028 1 . ARG 94 94 52028 1 . GLU 95 95 52028 1 . ILE 96 96 52028 1 . ALA 97 97 52028 1 . ALA 98 98 52028 1 . GLU 99 99 52028 1 . ARG 100 100 52028 1 . SER 101 101 52028 1 . SER 102 102 52028 1 . SER 103 103 52028 1 . SER 104 104 52028 1 . GLU 105 105 52028 1 . SER 106 106 52028 1 . THR 107 107 52028 1 . GLY 108 108 52028 1 . THR 109 109 52028 1 . PRO 110 110 52028 1 . SER 111 111 52028 1 . ASN 112 112 52028 1 . PRO 113 113 52028 1 . ASP 114 114 52028 1 . LEU 115 115 52028 1 . ASP 116 116 52028 1 . ALA 117 117 52028 1 . GLY 118 118 52028 1 . VAL 119 119 52028 1 . SER 120 120 52028 1 . GLU 121 121 52028 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 52028 _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 . . . . . . . . . . . . . 52028 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 52028 _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 BL21 DE3 . plasmid . . pET41b(+) . . . 52028 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52028 _Sample.ID 1 _Sample.Name 'Mdm2 aa111-230 4C4A' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% 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 'Mdm2 aa111-230 4C4A' '[U-98% 13C; U-98% 15N]' . . 1 $entity_1 . . 600 . . uM . . . . 52028 1 2 DSS 'natural abundance' . . . . . . 100 . . uM . . . . 52028 1 3 HEPES 'natural abundance' . . . . . . 10 . . mM . . . . 52028 1 4 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 52028 1 5 'cocktail protease inhibitors' 'natural abundance' . . . . . . 2 . . tablet/100mL . . . . 52028 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 52028 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Mdm2 aa111-230 4C4A' _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 'ionic strength' 0.06 . M 52028 1 pH 6.5 . pH 52028 1 pressure 1 . atm 52028 1 temperature 283 . K 52028 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52028 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 52028 1 processing . 52028 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52028 _Software.ID 2 _Software.Type . _Software.Name CcpNMR _Software.Version 2 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52028 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 52028 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 700_Saclay _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 52028 _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 '1D 1H' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52028 1 2 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52028 1 3 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52028 1 4 '3D HNCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52028 1 5 '3D HN(CA)CO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52028 1 6 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52028 1 7 '3D H(NCA)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52028 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 52028 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DSS _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 -0.247 internal indirect . . . . . . 52028 1 H 1 DSS 'methyl protons' . . . . ppm -0.247 internal direct 1 . . . . . 52028 1 N 15 DSS 'methyl protons' . . . . ppm -0.247 internal indirect . . . . . . 52028 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 52028 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Mdm2 aa111-230 4C4A' _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.05 _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 'Spectral resolution' _Assigned_chem_shift_list.Details '0.05 for CO, 0.1 for CA, 0.2 for CB' _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 HSQC' . . . 52028 1 3 '3D HNCO' . . . 52028 1 4 '3D HNCA' . . . 52028 1 6 '3D HNCACB' . . . 52028 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 2 $software_2 . . 52028 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 ASN C C 13 175.2215743 0.05 . 1 . . . . . 2 ASN C . 52028 1 2 . 1 . 1 2 2 ASN CA C 13 53.01607566 0.1 . 1 . . . . . 2 ASN CA . 52028 1 3 . 1 . 1 2 2 ASN CB C 13 38.70937691 0.2 . 1 . . . . . 2 ASN CB . 52028 1 4 . 1 . 1 3 3 GLN H H 1 8.472287288 0.01 . 1 . . . . . 3 GLN H . 52028 1 5 . 1 . 1 3 3 GLN C C 13 175.7845516 0.05 . 1 . . . . . 3 GLN C . 52028 1 6 . 1 . 1 3 3 GLN CA C 13 56.11619809 0.1 . 1 . . . . . 3 GLN CA . 52028 1 7 . 1 . 1 3 3 GLN CB C 13 28.93245671 0.2 . 1 . . . . . 3 GLN CB . 52028 1 8 . 1 . 1 3 3 GLN N N 15 120.743592 0.05 . 1 . . . . . 3 GLN N . 52028 1 9 . 1 . 1 4 4 GLN H H 1 8.311252677 0.01 . 1 . . . . . 4 GLN H . 52028 1 10 . 1 . 1 4 4 GLN C C 13 175.8672839 0.05 . 1 . . . . . 4 GLN C . 52028 1 11 . 1 . 1 4 4 GLN CA C 13 55.84032388 0.1 . 1 . . . . . 4 GLN CA . 52028 1 12 . 1 . 1 4 4 GLN CB C 13 29.12621436 0.2 . 1 . . . . . 4 GLN CB . 52028 1 13 . 1 . 1 4 4 GLN N N 15 121.2683362 0.05 . 1 . . . . . 4 GLN N . 52028 1 14 . 1 . 1 5 5 GLU H H 1 8.341629252 0.01 . 1 . . . . . 5 GLU H . 52028 1 15 . 1 . 1 5 5 GLU C C 13 176.4046385 0.05 . 1 . . . . . 5 GLU C . 52028 1 16 . 1 . 1 5 5 GLU CA C 13 56.42159683 0.1 . 1 . . . . . 5 GLU CA . 52028 1 17 . 1 . 1 5 5 GLU CB C 13 30.01427026 0.2 . 1 . . . . . 5 GLU CB . 52028 1 18 . 1 . 1 5 5 GLU N N 15 122.364137 0.05 . 1 . . . . . 5 GLU N . 52028 1 19 . 1 . 1 6 6 SER H H 1 8.289860652 0.01 . 1 . . . . . 6 SER H . 52028 1 20 . 1 . 1 6 6 SER C C 13 174.5562411 0.05 . 1 . . . . . 6 SER C . 52028 1 21 . 1 . 1 6 6 SER CA C 13 58.06889809 0.1 . 1 . . . . . 6 SER CA . 52028 1 22 . 1 . 1 6 6 SER CB C 13 63.66418953 0.2 . 1 . . . . . 6 SER CB . 52028 1 23 . 1 . 1 6 6 SER N N 15 116.8630523 0.05 . 1 . . . . . 6 SER N . 52028 1 24 . 1 . 1 7 7 SER H H 1 8.311011403 0.01 . 1 . . . . . 7 SER H . 52028 1 25 . 1 . 1 7 7 SER C C 13 174.1915418 0.05 . 1 . . . . . 7 SER C . 52028 1 26 . 1 . 1 7 7 SER CA C 13 58.36210494 0.1 . 1 . . . . . 7 SER CA . 52028 1 27 . 1 . 1 7 7 SER CB C 13 63.56503865 0.2 . 1 . . . . . 7 SER CB . 52028 1 28 . 1 . 1 7 7 SER N N 15 117.9272056 0.05 . 1 . . . . . 7 SER N . 52028 1 29 . 1 . 1 8 8 ASP H H 1 8.219353873 0.01 . 1 . . . . . 8 ASP H . 52028 1 30 . 1 . 1 8 8 ASP C C 13 176.3088383 0.05 . 1 . . . . . 8 ASP C . 52028 1 31 . 1 . 1 8 8 ASP CA C 13 54.27469814 0.1 . 1 . . . . . 8 ASP CA . 52028 1 32 . 1 . 1 8 8 ASP CB C 13 40.96698269 0.2 . 1 . . . . . 8 ASP CB . 52028 1 33 . 1 . 1 8 8 ASP N N 15 122.2853419 0.05 . 1 . . . . . 8 ASP N . 52028 1 34 . 1 . 1 9 9 SER H H 1 8.16911484 0.01 . 1 . . . . . 9 SER H . 52028 1 35 . 1 . 1 9 9 SER C C 13 175.1320247 0.05 . 1 . . . . . 9 SER C . 52028 1 36 . 1 . 1 9 9 SER CA C 13 58.66625304 0.1 . 1 . . . . . 9 SER CA . 52028 1 37 . 1 . 1 9 9 SER CB C 13 63.47483755 0.2 . 1 . . . . . 9 SER CB . 52028 1 38 . 1 . 1 9 9 SER N N 15 116.527202 0.05 . 1 . . . . . 9 SER N . 52028 1 39 . 1 . 1 10 10 GLY H H 1 8.338331576 0.01 . 1 . . . . . 10 GLY H . 52028 1 40 . 1 . 1 10 10 GLY C C 13 174.3377979 0.05 . 1 . . . . . 10 GLY C . 52028 1 41 . 1 . 1 10 10 GLY CA C 13 45.34010067 0.1 . 1 . . . . . 10 GLY CA . 52028 1 42 . 1 . 1 10 10 GLY N N 15 110.7636489 0.05 . 1 . . . . . 10 GLY N . 52028 1 43 . 1 . 1 11 11 THR H H 1 7.887607848 0.01 . 1 . . . . . 11 THR H . 52028 1 44 . 1 . 1 11 11 THR C C 13 174.5717902 0.05 . 1 . . . . . 11 THR C . 52028 1 45 . 1 . 1 11 11 THR CA C 13 61.65783252 0.1 . 1 . . . . . 11 THR CA . 52028 1 46 . 1 . 1 11 11 THR CB C 13 69.5604802 0.2 . 1 . . . . . 11 THR CB . 52028 1 47 . 1 . 1 11 11 THR N N 15 113.3591514 0.05 . 1 . . . . . 11 THR N . 52028 1 48 . 1 . 1 12 12 SER H H 1 8.24286342 0.01 . 1 . . . . . 12 SER H . 52028 1 49 . 1 . 1 12 12 SER C C 13 174.5481464 0.05 . 1 . . . . . 12 SER C . 52028 1 50 . 1 . 1 12 12 SER CA C 13 58.20632461 0.1 . 1 . . . . . 12 SER CA . 52028 1 51 . 1 . 1 12 12 SER CB C 13 63.49387522 0.2 . 1 . . . . . 12 SER CB . 52028 1 52 . 1 . 1 12 12 SER N N 15 118.590122 0.05 . 1 . . . . . 12 SER N . 52028 1 53 . 1 . 1 13 13 VAL H H 1 8.081896104 0.01 . 1 . . . . . 13 VAL H . 52028 1 54 . 1 . 1 13 13 VAL C C 13 176.3395245 0.05 . 1 . . . . . 13 VAL C . 52028 1 55 . 1 . 1 13 13 VAL CA C 13 62.39665159 0.1 . 1 . . . . . 13 VAL CA . 52028 1 56 . 1 . 1 13 13 VAL CB C 13 32.36015854 0.2 . 1 . . . . . 13 VAL CB . 52028 1 57 . 1 . 1 13 13 VAL N N 15 121.7658213 0.05 . 1 . . . . . 13 VAL N . 52028 1 58 . 1 . 1 14 14 SER H H 1 8.195240353 0.01 . 1 . . . . . 14 SER H . 52028 1 59 . 1 . 1 14 14 SER C C 13 174.6285555 0.05 . 1 . . . . . 14 SER C . 52028 1 60 . 1 . 1 14 14 SER CA C 13 58.46883347 0.1 . 1 . . . . . 14 SER CA . 52028 1 61 . 1 . 1 14 14 SER CB C 13 63.47261828 0.2 . 1 . . . . . 14 SER CB . 52028 1 62 . 1 . 1 14 14 SER N N 15 118.9596869 0.05 . 1 . . . . . 14 SER N . 52028 1 63 . 1 . 1 15 15 GLU H H 1 8.266383071 0.01 . 1 . . . . . 15 GLU H . 52028 1 64 . 1 . 1 15 15 GLU C C 13 176.07932 0.05 . 1 . . . . . 15 GLU C . 52028 1 65 . 1 . 1 15 15 GLU CA C 13 56.61998081 0.1 . 1 . . . . . 15 GLU CA . 52028 1 66 . 1 . 1 15 15 GLU CB C 13 29.96018084 0.2 . 1 . . . . . 15 GLU CB . 52028 1 67 . 1 . 1 15 15 GLU N N 15 122.9155002 0.05 . 1 . . . . . 15 GLU N . 52028 1 68 . 1 . 1 16 16 ASN H H 1 8.274943923 0.01 . 1 . . . . . 16 ASN H . 52028 1 69 . 1 . 1 16 16 ASN C C 13 175.2315869 0.05 . 1 . . . . . 16 ASN C . 52028 1 70 . 1 . 1 16 16 ASN CA C 13 53.26937433 0.1 . 1 . . . . . 16 ASN CA . 52028 1 71 . 1 . 1 16 16 ASN CB C 13 38.35153445 0.2 . 1 . . . . . 16 ASN CB . 52028 1 72 . 1 . 1 16 16 ASN N N 15 119.678598 0.05 . 1 . . . . . 16 ASN N . 52028 1 73 . 1 . 1 17 17 ARG H H 1 8.14536661 0.01 . 1 . . . . . 17 ARG H . 52028 1 74 . 1 . 1 17 17 ARG C C 13 176.0486492 0.05 . 1 . . . . . 17 ARG C . 52028 1 75 . 1 . 1 17 17 ARG CA C 13 56.09533874 0.1 . 1 . . . . . 17 ARG CA . 52028 1 76 . 1 . 1 17 17 ARG CB C 13 30.33578862 0.2 . 1 . . . . . 17 ARG CB . 52028 1 77 . 1 . 1 17 17 ARG N N 15 121.6815503 0.05 . 1 . . . . . 17 ARG N . 52028 1 78 . 1 . 1 18 18 ALA H H 1 8.083548856 0.01 . 1 . . . . . 18 ALA H . 52028 1 79 . 1 . 1 18 18 ALA C C 13 177.5925106 0.05 . 1 . . . . . 18 ALA C . 52028 1 80 . 1 . 1 18 18 ALA CA C 13 52.77024614 0.1 . 1 . . . . . 18 ALA CA . 52028 1 81 . 1 . 1 18 18 ALA CB C 13 18.79580345 0.2 . 1 . . . . . 18 ALA CB . 52028 1 82 . 1 . 1 18 18 ALA N N 15 124.0595044 0.05 . 1 . . . . . 18 ALA N . 52028 1 83 . 1 . 1 19 19 HIS H H 1 8.197106532 0.01 . 1 . . . . . 19 HIS H . 52028 1 84 . 1 . 1 19 19 HIS C C 13 174.6842585 0.05 . 1 . . . . . 19 HIS C . 52028 1 85 . 1 . 1 19 19 HIS CA C 13 55.5264607 0.1 . 1 . . . . . 19 HIS CA . 52028 1 86 . 1 . 1 19 19 HIS CB C 13 29.19973405 0.2 . 1 . . . . . 19 HIS CB . 52028 1 87 . 1 . 1 19 19 HIS N N 15 117.591806 0.05 . 1 . . . . . 19 HIS N . 52028 1 88 . 1 . 1 20 20 LEU H H 1 8.005051335 0.01 . 1 . . . . . 20 LEU H . 52028 1 89 . 1 . 1 20 20 LEU C C 13 177.2230349 0.05 . 1 . . . . . 20 LEU C . 52028 1 90 . 1 . 1 20 20 LEU CA C 13 54.86191488 0.1 . 1 . . . . . 20 LEU CA . 52028 1 91 . 1 . 1 20 20 LEU CB C 13 42.09891917 0.2 . 1 . . . . . 20 LEU CB . 52028 1 92 . 1 . 1 20 20 LEU N N 15 123.4334623 0.05 . 1 . . . . . 20 LEU N . 52028 1 93 . 1 . 1 21 21 GLU H H 1 8.324772662 0.01 . 1 . . . . . 21 GLU H . 52028 1 94 . 1 . 1 21 21 GLU C C 13 176.8713572 0.05 . 1 . . . . . 21 GLU C . 52028 1 95 . 1 . 1 21 21 GLU CA C 13 56.51674809 0.1 . 1 . . . . . 21 GLU CA . 52028 1 96 . 1 . 1 21 21 GLU CB C 13 29.80152184 0.2 . 1 . . . . . 21 GLU CB . 52028 1 97 . 1 . 1 21 21 GLU N N 15 121.7697034 0.05 . 1 . . . . . 21 GLU N . 52028 1 98 . 1 . 1 22 22 GLY H H 1 8.322883823 0.01 . 1 . . . . . 22 GLY H . 52028 1 99 . 1 . 1 22 22 GLY C C 13 174.5783933 0.05 . 1 . . . . . 22 GLY C . 52028 1 100 . 1 . 1 22 22 GLY CA C 13 45.15354049 0.1 . 1 . . . . . 22 GLY CA . 52028 1 101 . 1 . 1 22 22 GLY N N 15 110.2146748 0.05 . 1 . . . . . 22 GLY N . 52028 1 102 . 1 . 1 23 23 GLY H H 1 8.138339763 0.01 . 1 . . . . . 23 GLY H . 52028 1 103 . 1 . 1 23 23 GLY C C 13 174.2101149 0.05 . 1 . . . . . 23 GLY C . 52028 1 104 . 1 . 1 23 23 GLY CA C 13 44.99695771 0.1 . 1 . . . . . 23 GLY CA . 52028 1 105 . 1 . 1 23 23 GLY N N 15 108.6038293 0.05 . 1 . . . . . 23 GLY N . 52028 1 106 . 1 . 1 24 24 SER H H 1 8.185791268 0.01 . 1 . . . . . 24 SER H . 52028 1 107 . 1 . 1 24 24 SER C C 13 174.2166727 0.05 . 1 . . . . . 24 SER C . 52028 1 108 . 1 . 1 24 24 SER CA C 13 58.29061741 0.1 . 1 . . . . . 24 SER CA . 52028 1 109 . 1 . 1 24 24 SER CB C 13 63.61443958 0.2 . 1 . . . . . 24 SER CB . 52028 1 110 . 1 . 1 24 24 SER N N 15 115.3464437 0.05 . 1 . . . . . 24 SER N . 52028 1 111 . 1 . 1 25 25 ASP H H 1 8.340676391 0.01 . 1 . . . . . 25 ASP H . 52028 1 112 . 1 . 1 25 25 ASP C C 13 176.0816997 0.05 . 1 . . . . . 25 ASP C . 52028 1 113 . 1 . 1 25 25 ASP CA C 13 54.2420143 0.1 . 1 . . . . . 25 ASP CA . 52028 1 114 . 1 . 1 25 25 ASP CB C 13 40.76080125 0.2 . 1 . . . . . 25 ASP CB . 52028 1 115 . 1 . 1 25 25 ASP N N 15 122.1033777 0.05 . 1 . . . . . 25 ASP N . 52028 1 116 . 1 . 1 26 26 GLN H H 1 8.112493196 0.01 . 1 . . . . . 26 GLN H . 52028 1 117 . 1 . 1 26 26 GLN C C 13 175.9816696 0.05 . 1 . . . . . 26 GLN C . 52028 1 118 . 1 . 1 26 26 GLN CA C 13 55.87679215 0.1 . 1 . . . . . 26 GLN CA . 52028 1 119 . 1 . 1 26 26 GLN CB C 13 28.85932904 0.2 . 1 . . . . . 26 GLN CB . 52028 1 120 . 1 . 1 26 26 GLN N N 15 120.4877479 0.05 . 1 . . . . . 26 GLN N . 52028 1 121 . 1 . 1 27 27 LYS H H 1 8.174413301 0.01 . 1 . . . . . 27 LYS H . 52028 1 122 . 1 . 1 27 27 LYS C C 13 176.1940311 0.05 . 1 . . . . . 27 LYS C . 52028 1 123 . 1 . 1 27 27 LYS CA C 13 56.46491952 0.1 . 1 . . . . . 27 LYS CA . 52028 1 124 . 1 . 1 27 27 LYS CB C 13 32.67186847 0.2 . 1 . . . . . 27 LYS CB . 52028 1 125 . 1 . 1 27 27 LYS N N 15 122.1962763 0.05 . 1 . . . . . 27 LYS N . 52028 1 126 . 1 . 1 28 28 ASP H H 1 8.180840414 0.01 . 1 . . . . . 28 ASP H . 52028 1 127 . 1 . 1 28 28 ASP C C 13 175.8631607 0.05 . 1 . . . . . 28 ASP C . 52028 1 128 . 1 . 1 28 28 ASP CA C 13 54.21561681 0.1 . 1 . . . . . 28 ASP CA . 52028 1 129 . 1 . 1 28 28 ASP CB C 13 40.69722955 0.2 . 1 . . . . . 28 ASP CB . 52028 1 130 . 1 . 1 28 28 ASP N N 15 120.4779043 0.05 . 1 . . . . . 28 ASP N . 52028 1 131 . 1 . 1 29 29 LEU H H 1 7.910312586 0.01 . 1 . . . . . 29 LEU H . 52028 1 132 . 1 . 1 29 29 LEU C C 13 177.2364436 0.05 . 1 . . . . . 29 LEU C . 52028 1 133 . 1 . 1 29 29 LEU CA C 13 55.12087823 0.1 . 1 . . . . . 29 LEU CA . 52028 1 134 . 1 . 1 29 29 LEU CB C 13 42.04718079 0.2 . 1 . . . . . 29 LEU CB . 52028 1 135 . 1 . 1 29 29 LEU N N 15 122.1483319 0.05 . 1 . . . . . 29 LEU N . 52028 1 136 . 1 . 1 30 30 VAL H H 1 7.979940172 0.01 . 1 . . . . . 30 VAL H . 52028 1 137 . 1 . 1 30 30 VAL C C 13 176.0671661 0.05 . 1 . . . . . 30 VAL C . 52028 1 138 . 1 . 1 30 30 VAL CA C 13 62.46246764 0.1 . 1 . . . . . 30 VAL CA . 52028 1 139 . 1 . 1 30 30 VAL CB C 13 32.16211772 0.2 . 1 . . . . . 30 VAL CB . 52028 1 140 . 1 . 1 30 30 VAL N N 15 121.7652155 0.05 . 1 . . . . . 30 VAL N . 52028 1 141 . 1 . 1 31 31 GLN H H 1 8.271300506 0.01 . 1 . . . . . 31 GLN H . 52028 1 142 . 1 . 1 31 31 GLN C C 13 175.7290075 0.05 . 1 . . . . . 31 GLN C . 52028 1 143 . 1 . 1 31 31 GLN CA C 13 55.67979938 0.1 . 1 . . . . . 31 GLN CA . 52028 1 144 . 1 . 1 31 31 GLN CB C 13 29.35069983 0.2 . 1 . . . . . 31 GLN CB . 52028 1 145 . 1 . 1 31 31 GLN N N 15 124.3768995 0.05 . 1 . . . . . 31 GLN N . 52028 1 146 . 1 . 1 32 32 GLU H H 1 8.33383299 0.01 . 1 . . . . . 32 GLU H . 52028 1 147 . 1 . 1 32 32 GLU C C 13 176.2324881 0.05 . 1 . . . . . 32 GLU C . 52028 1 148 . 1 . 1 32 32 GLU CA C 13 56.42724663 0.1 . 1 . . . . . 32 GLU CA . 52028 1 149 . 1 . 1 32 32 GLU CB C 13 30.04629597 0.2 . 1 . . . . . 32 GLU CB . 52028 1 150 . 1 . 1 32 32 GLU N N 15 122.6136179 0.05 . 1 . . . . . 32 GLU N . 52028 1 151 . 1 . 1 33 33 LEU H H 1 8.183733673 0.01 . 1 . . . . . 33 LEU H . 52028 1 152 . 1 . 1 33 33 LEU C C 13 177.1404886 0.05 . 1 . . . . . 33 LEU C . 52028 1 153 . 1 . 1 33 33 LEU CA C 13 54.99231475 0.1 . 1 . . . . . 33 LEU CA . 52028 1 154 . 1 . 1 33 33 LEU CB C 13 42.07110244 0.2 . 1 . . . . . 33 LEU CB . 52028 1 155 . 1 . 1 33 33 LEU N N 15 123.2801376 0.05 . 1 . . . . . 33 LEU N . 52028 1 156 . 1 . 1 34 34 GLN H H 1 8.254139318 0.01 . 1 . . . . . 34 GLN H . 52028 1 157 . 1 . 1 34 34 GLN C C 13 175.6179803 0.05 . 1 . . . . . 34 GLN C . 52028 1 158 . 1 . 1 34 34 GLN CA C 13 55.37954244 0.1 . 1 . . . . . 34 GLN CA . 52028 1 159 . 1 . 1 34 34 GLN CB C 13 29.23021938 0.2 . 1 . . . . . 34 GLN CB . 52028 1 160 . 1 . 1 34 34 GLN N N 15 121.593021 0.05 . 1 . . . . . 34 GLN N . 52028 1 161 . 1 . 1 35 35 GLU H H 1 8.268397245 0.01 . 1 . . . . . 35 GLU H . 52028 1 162 . 1 . 1 35 35 GLU C C 13 176.0474117 0.05 . 1 . . . . . 35 GLU C . 52028 1 163 . 1 . 1 35 35 GLU CA C 13 56.19396044 0.1 . 1 . . . . . 35 GLU CA . 52028 1 164 . 1 . 1 35 35 GLU CB C 13 30.40852628 0.2 . 1 . . . . . 35 GLU CB . 52028 1 165 . 1 . 1 35 35 GLU N N 15 122.3137753 0.05 . 1 . . . . . 35 GLU N . 52028 1 166 . 1 . 1 36 36 GLU H H 1 8.346372979 0.01 . 1 . . . . . 36 GLU H . 52028 1 167 . 1 . 1 36 36 GLU C C 13 176.0009866 0.05 . 1 . . . . . 36 GLU C . 52028 1 168 . 1 . 1 36 36 GLU CA C 13 56.24341941 0.1 . 1 . . . . . 36 GLU CA . 52028 1 169 . 1 . 1 36 36 GLU CB C 13 29.95412388 0.2 . 1 . . . . . 36 GLU CB . 52028 1 170 . 1 . 1 36 36 GLU N N 15 122.8539759 0.05 . 1 . . . . . 36 GLU N . 52028 1 171 . 1 . 1 37 37 LYS H H 1 8.29604735 0.01 . 1 . . . . . 37 LYS H . 52028 1 172 . 1 . 1 37 37 LYS C C 13 174.2832612 0.05 . 1 . . . . . 37 LYS C . 52028 1 173 . 1 . 1 37 37 LYS CA C 13 53.83489526 0.1 . 1 . . . . . 37 LYS CA . 52028 1 174 . 1 . 1 37 37 LYS CB C 13 32.11471172 0.2 . 1 . . . . . 37 LYS CB . 52028 1 175 . 1 . 1 37 37 LYS N N 15 123.9715703 0.05 . 1 . . . . . 37 LYS N . 52028 1 176 . 1 . 1 38 38 PRO C C 13 176.9551571 0.05 . 1 . . . . . 38 PRO C . 52028 1 177 . 1 . 1 38 38 PRO CA C 13 62.99706746 0.1 . 1 . . . . . 38 PRO CA . 52028 1 178 . 1 . 1 38 38 PRO CB C 13 31.90399092 0.2 . 1 . . . . . 38 PRO CB . 52028 1 179 . 1 . 1 39 39 SER H H 1 8.388367876 0.01 . 1 . . . . . 39 SER H . 52028 1 180 . 1 . 1 39 39 SER C C 13 174.8189054 0.05 . 1 . . . . . 39 SER C . 52028 1 181 . 1 . 1 39 39 SER CA C 13 58.19066478 0.1 . 1 . . . . . 39 SER CA . 52028 1 182 . 1 . 1 39 39 SER CB C 13 63.48282092 0.2 . 1 . . . . . 39 SER CB . 52028 1 183 . 1 . 1 39 39 SER N N 15 116.2321362 0.05 . 1 . . . . . 39 SER N . 52028 1 184 . 1 . 1 40 40 SER H H 1 8.252807484 0.01 . 1 . . . . . 40 SER H . 52028 1 185 . 1 . 1 40 40 SER C C 13 174.5780535 0.05 . 1 . . . . . 40 SER C . 52028 1 186 . 1 . 1 40 40 SER CA C 13 58.36350304 0.1 . 1 . . . . . 40 SER CA . 52028 1 187 . 1 . 1 40 40 SER CB C 13 63.46370581 0.2 . 1 . . . . . 40 SER CB . 52028 1 188 . 1 . 1 40 40 SER N N 15 117.5807917 0.05 . 1 . . . . . 40 SER N . 52028 1 189 . 1 . 1 41 41 SER H H 1 8.134932949 0.01 . 1 . . . . . 41 SER H . 52028 1 190 . 1 . 1 41 41 SER C C 13 174.2007896 0.05 . 1 . . . . . 41 SER C . 52028 1 191 . 1 . 1 41 41 SER CA C 13 58.57527617 0.1 . 1 . . . . . 41 SER CA . 52028 1 192 . 1 . 1 41 41 SER CB C 13 63.42841029 0.2 . 1 . . . . . 41 SER CB . 52028 1 193 . 1 . 1 41 41 SER N N 15 117.3028653 0.05 . 1 . . . . . 41 SER N . 52028 1 194 . 1 . 1 42 42 HIS H H 1 8.151985766 0.01 . 1 . . . . . 42 HIS H . 52028 1 195 . 1 . 1 42 42 HIS C C 13 174.538445 0.05 . 1 . . . . . 42 HIS C . 52028 1 196 . 1 . 1 42 42 HIS CA C 13 55.7818862 0.1 . 1 . . . . . 42 HIS CA . 52028 1 197 . 1 . 1 42 42 HIS CB C 13 29.61937484 0.2 . 1 . . . . . 42 HIS CB . 52028 1 198 . 1 . 1 42 42 HIS N N 15 120.8452044 0.05 . 1 . . . . . 42 HIS N . 52028 1 199 . 1 . 1 43 43 LEU H H 1 7.911828345 0.01 . 1 . . . . . 43 LEU H . 52028 1 200 . 1 . 1 43 43 LEU C C 13 176.9775811 0.05 . 1 . . . . . 43 LEU C . 52028 1 201 . 1 . 1 43 43 LEU CA C 13 54.91551269 0.1 . 1 . . . . . 43 LEU CA . 52028 1 202 . 1 . 1 43 43 LEU CB C 13 42.00591039 0.2 . 1 . . . . . 43 LEU CB . 52028 1 203 . 1 . 1 43 43 LEU N N 15 122.9671869 0.05 . 1 . . . . . 43 LEU N . 52028 1 204 . 1 . 1 44 44 VAL H H 1 7.947789578 0.01 . 1 . . . . . 44 VAL H . 52028 1 205 . 1 . 1 44 44 VAL C C 13 175.847162 0.05 . 1 . . . . . 44 VAL C . 52028 1 206 . 1 . 1 44 44 VAL CA C 13 62.00492046 0.1 . 1 . . . . . 44 VAL CA . 52028 1 207 . 1 . 1 44 44 VAL CB C 13 32.60095846 0.2 . 1 . . . . . 44 VAL CB . 52028 1 208 . 1 . 1 44 44 VAL N N 15 121.2423288 0.05 . 1 . . . . . 44 VAL N . 52028 1 209 . 1 . 1 45 45 SER H H 1 8.225749891 0.01 . 1 . . . . . 45 SER H . 52028 1 210 . 1 . 1 45 45 SER C C 13 173.7753636 0.05 . 1 . . . . . 45 SER C . 52028 1 211 . 1 . 1 45 45 SER CA C 13 57.94530182 0.1 . 1 . . . . . 45 SER CA . 52028 1 212 . 1 . 1 45 45 SER CB C 13 63.51017231 0.2 . 1 . . . . . 45 SER CB . 52028 1 213 . 1 . 1 45 45 SER N N 15 119.9876767 0.05 . 1 . . . . . 45 SER N . 52028 1 214 . 1 . 1 46 46 ARG H H 1 8.237462683 0.01 . 1 . . . . . 46 ARG H . 52028 1 215 . 1 . 1 46 46 ARG C C 13 173.8803856 0.05 . 1 . . . . . 46 ARG C . 52028 1 216 . 1 . 1 46 46 ARG CA C 13 53.71221178 0.1 . 1 . . . . . 46 ARG CA . 52028 1 217 . 1 . 1 46 46 ARG CB C 13 30.02528206 0.2 . 1 . . . . . 46 ARG CB . 52028 1 218 . 1 . 1 46 46 ARG N N 15 124.1621054 0.05 . 1 . . . . . 46 ARG N . 52028 1 219 . 1 . 1 47 47 PRO C C 13 176.8342283 0.05 . 1 . . . . . 47 PRO C . 52028 1 220 . 1 . 1 47 47 PRO CA C 13 62.94967422 0.1 . 1 . . . . . 47 PRO CA . 52028 1 221 . 1 . 1 47 47 PRO CB C 13 31.97766961 0.2 . 1 . . . . . 47 PRO CB . 52028 1 222 . 1 . 1 48 48 SER H H 1 8.446030241 0.01 . 1 . . . . . 48 SER H . 52028 1 223 . 1 . 1 48 48 SER C C 13 175.0144334 0.05 . 1 . . . . . 48 SER C . 52028 1 224 . 1 . 1 48 48 SER CA C 13 58.21858968 0.1 . 1 . . . . . 48 SER CA . 52028 1 225 . 1 . 1 48 48 SER CB C 13 63.49924465 0.2 . 1 . . . . . 48 SER CB . 52028 1 226 . 1 . 1 48 48 SER N N 15 116.5426749 0.05 . 1 . . . . . 48 SER N . 52028 1 227 . 1 . 1 49 49 THR H H 1 8.125680174 0.01 . 1 . . . . . 49 THR H . 52028 1 228 . 1 . 1 49 49 THR C C 13 174.631445 0.05 . 1 . . . . . 49 THR C . 52028 1 229 . 1 . 1 49 49 THR CA C 13 61.86663084 0.1 . 1 . . . . . 49 THR CA . 52028 1 230 . 1 . 1 49 49 THR CB C 13 69.39335624 0.2 . 1 . . . . . 49 THR CB . 52028 1 231 . 1 . 1 49 49 THR N N 15 115.631393 0.05 . 1 . . . . . 49 THR N . 52028 1 232 . 1 . 1 50 50 SER H H 1 8.171115179 0.01 . 1 . . . . . 50 SER H . 52028 1 233 . 1 . 1 50 50 SER C C 13 174.5774207 0.05 . 1 . . . . . 50 SER C . 52028 1 234 . 1 . 1 50 50 SER CA C 13 58.37302192 0.1 . 1 . . . . . 50 SER CA . 52028 1 235 . 1 . 1 50 50 SER CB C 13 63.52594717 0.2 . 1 . . . . . 50 SER CB . 52028 1 236 . 1 . 1 50 50 SER N N 15 117.599762 0.05 . 1 . . . . . 50 SER N . 52028 1 237 . 1 . 1 51 51 SER H H 1 8.195739173 0.01 . 1 . . . . . 51 SER H . 52028 1 238 . 1 . 1 51 51 SER C C 13 174.3621781 0.05 . 1 . . . . . 51 SER C . 52028 1 239 . 1 . 1 51 51 SER CA C 13 58.36088379 0.1 . 1 . . . . . 51 SER CA . 52028 1 240 . 1 . 1 51 51 SER CB C 13 63.46310736 0.2 . 1 . . . . . 51 SER CB . 52028 1 241 . 1 . 1 51 51 SER N N 15 118.07795 0.05 . 1 . . . . . 51 SER N . 52028 1 242 . 1 . 1 52 52 ARG H H 1 8.125069538 0.01 . 1 . . . . . 52 ARG H . 52028 1 243 . 1 . 1 52 52 ARG C C 13 176.0388049 0.05 . 1 . . . . . 52 ARG C . 52028 1 244 . 1 . 1 52 52 ARG CA C 13 55.96481195 0.1 . 1 . . . . . 52 ARG CA . 52028 1 245 . 1 . 1 52 52 ARG CB C 13 30.55847329 0.2 . 1 . . . . . 52 ARG CB . 52028 1 246 . 1 . 1 52 52 ARG N N 15 122.8611495 0.05 . 1 . . . . . 52 ARG N . 52028 1 247 . 1 . 1 53 53 ARG H H 1 8.196328573 0.01 . 1 . . . . . 53 ARG H . 52028 1 248 . 1 . 1 53 53 ARG C C 13 176.0452442 0.05 . 1 . . . . . 53 ARG C . 52028 1 249 . 1 . 1 53 53 ARG CA C 13 56.01602351 0.1 . 1 . . . . . 53 ARG CA . 52028 1 250 . 1 . 1 53 53 ARG CB C 13 30.53028421 0.2 . 1 . . . . . 53 ARG CB . 52028 1 251 . 1 . 1 53 53 ARG N N 15 122.6117683 0.05 . 1 . . . . . 53 ARG N . 52028 1 252 . 1 . 1 54 54 ARG H H 1 8.241766291 0.01 . 1 . . . . . 54 ARG H . 52028 1 253 . 1 . 1 54 54 ARG C C 13 175.712507 0.05 . 1 . . . . . 54 ARG C . 52028 1 254 . 1 . 1 54 54 ARG CA C 13 55.87068364 0.1 . 1 . . . . . 54 ARG CA . 52028 1 255 . 1 . 1 54 54 ARG CB C 13 30.74035508 0.2 . 1 . . . . . 54 ARG CB . 52028 1 256 . 1 . 1 54 54 ARG N N 15 122.9961679 0.05 . 1 . . . . . 54 ARG N . 52028 1 257 . 1 . 1 55 55 ALA H H 1 8.284211279 0.01 . 1 . . . . . 55 ALA H . 52028 1 258 . 1 . 1 55 55 ALA C C 13 177.6857774 0.05 . 1 . . . . . 55 ALA C . 52028 1 259 . 1 . 1 55 55 ALA CA C 13 52.24856778 0.1 . 1 . . . . . 55 ALA CA . 52028 1 260 . 1 . 1 55 55 ALA CB C 13 19.06960345 0.2 . 1 . . . . . 55 ALA CB . 52028 1 261 . 1 . 1 55 55 ALA N N 15 125.7845297 0.05 . 1 . . . . . 55 ALA N . 52028 1 262 . 1 . 1 56 56 ILE H H 1 8.057578891 0.01 . 1 . . . . . 56 ILE H . 52028 1 263 . 1 . 1 56 56 ILE C C 13 176.2238666 0.05 . 1 . . . . . 56 ILE C . 52028 1 264 . 1 . 1 56 56 ILE CA C 13 61.38251888 0.1 . 1 . . . . . 56 ILE CA . 52028 1 265 . 1 . 1 56 56 ILE CB C 13 38.48851505 0.2 . 1 . . . . . 56 ILE CB . 52028 1 266 . 1 . 1 56 56 ILE N N 15 120.1163264 0.05 . 1 . . . . . 56 ILE N . 52028 1 267 . 1 . 1 57 57 SER H H 1 8.13063711 0.01 . 1 . . . . . 57 SER H . 52028 1 268 . 1 . 1 57 57 SER C C 13 174.5071441 0.05 . 1 . . . . . 57 SER C . 52028 1 269 . 1 . 1 57 57 SER CA C 13 58.05390362 0.1 . 1 . . . . . 57 SER CA . 52028 1 270 . 1 . 1 57 57 SER CB C 13 63.55878312 0.2 . 1 . . . . . 57 SER CB . 52028 1 271 . 1 . 1 57 57 SER N N 15 118.356034 0.05 . 1 . . . . . 57 SER N . 52028 1 272 . 1 . 1 58 58 GLU H H 1 8.331247365 0.01 . 1 . . . . . 58 GLU H . 52028 1 273 . 1 . 1 58 58 GLU C C 13 176.5792288 0.05 . 1 . . . . . 58 GLU C . 52028 1 274 . 1 . 1 58 58 GLU CA C 13 56.91956279 0.1 . 1 . . . . . 58 GLU CA . 52028 1 275 . 1 . 1 58 58 GLU CB C 13 29.94976791 0.2 . 1 . . . . . 58 GLU CB . 52028 1 276 . 1 . 1 58 58 GLU N N 15 122.8630862 0.05 . 1 . . . . . 58 GLU N . 52028 1 277 . 1 . 1 59 59 THR H H 1 7.941466611 0.01 . 1 . . . . . 59 THR H . 52028 1 278 . 1 . 1 59 59 THR C C 13 174.4929741 0.05 . 1 . . . . . 59 THR C . 52028 1 279 . 1 . 1 59 59 THR CA C 13 61.81347834 0.1 . 1 . . . . . 59 THR CA . 52028 1 280 . 1 . 1 59 59 THR CB C 13 69.50412293 0.2 . 1 . . . . . 59 THR CB . 52028 1 281 . 1 . 1 59 59 THR N N 15 113.4836665 0.05 . 1 . . . . . 59 THR N . 52028 1 282 . 1 . 1 60 60 GLU H H 1 8.14961416 0.01 . 1 . . . . . 60 GLU H . 52028 1 283 . 1 . 1 60 60 GLU C C 13 176.3575738 0.05 . 1 . . . . . 60 GLU C . 52028 1 284 . 1 . 1 60 60 GLU CA C 13 56.48025154 0.1 . 1 . . . . . 60 GLU CA . 52028 1 285 . 1 . 1 60 60 GLU CB C 13 30.10137654 0.2 . 1 . . . . . 60 GLU CB . 52028 1 286 . 1 . 1 60 60 GLU N N 15 122.8625219 0.05 . 1 . . . . . 60 GLU N . 52028 1 287 . 1 . 1 61 61 GLU H H 1 8.290700167 0.01 . 1 . . . . . 61 GLU H . 52028 1 288 . 1 . 1 61 61 GLU C C 13 176.0707219 0.05 . 1 . . . . . 61 GLU C . 52028 1 289 . 1 . 1 61 61 GLU CA C 13 56.60967266 0.1 . 1 . . . . . 61 GLU CA . 52028 1 290 . 1 . 1 61 61 GLU N N 15 121.9145024 0.05 . 1 . . . . . 61 GLU N . 52028 1 291 . 1 . 1 62 62 ASN H H 1 8.357090953 0.01 . 1 . . . . . 62 ASN H . 52028 1 292 . 1 . 1 62 62 ASN C C 13 175.2059005 0.05 . 1 . . . . . 62 ASN C . 52028 1 293 . 1 . 1 62 62 ASN CA C 13 52.99714009 0.1 . 1 . . . . . 62 ASN CA . 52028 1 294 . 1 . 1 62 62 ASN CB C 13 38.77031014 0.2 . 1 . . . . . 62 ASN CB . 52028 1 295 . 1 . 1 62 62 ASN N N 15 119.6525512 0.05 . 1 . . . . . 62 ASN N . 52028 1 296 . 1 . 1 63 63 SER H H 1 8.163340921 0.01 . 1 . . . . . 63 SER H . 52028 1 297 . 1 . 1 63 63 SER C C 13 174.5546207 0.05 . 1 . . . . . 63 SER C . 52028 1 298 . 1 . 1 63 63 SER CA C 13 58.72656062 0.1 . 1 . . . . . 63 SER CA . 52028 1 299 . 1 . 1 63 63 SER CB C 13 63.51584698 0.2 . 1 . . . . . 63 SER CB . 52028 1 300 . 1 . 1 63 63 SER N N 15 116.4954731 0.05 . 1 . . . . . 63 SER N . 52028 1 301 . 1 . 1 64 64 ASP H H 1 8.323004476 0.01 . 1 . . . . . 64 ASP H . 52028 1 302 . 1 . 1 64 64 ASP C C 13 176.698623 0.05 . 1 . . . . . 64 ASP C . 52028 1 303 . 1 . 1 64 64 ASP CA C 13 54.66847249 0.1 . 1 . . . . . 64 ASP CA . 52028 1 304 . 1 . 1 64 64 ASP CB C 13 40.80588374 0.2 . 1 . . . . . 64 ASP CB . 52028 1 305 . 1 . 1 64 64 ASP N N 15 122.4448379 0.05 . 1 . . . . . 64 ASP N . 52028 1 306 . 1 . 1 65 65 GLU H H 1 8.21123073 0.01 . 1 . . . . . 65 GLU H . 52028 1 307 . 1 . 1 65 65 GLU C C 13 176.9871513 0.05 . 1 . . . . . 65 GLU C . 52028 1 308 . 1 . 1 65 65 GLU CA C 13 57.27288425 0.1 . 1 . . . . . 65 GLU CA . 52028 1 309 . 1 . 1 65 65 GLU CB C 13 29.69933717 0.2 . 1 . . . . . 65 GLU CB . 52028 1 310 . 1 . 1 65 65 GLU N N 15 120.8700208 0.05 . 1 . . . . . 65 GLU N . 52028 1 311 . 1 . 1 66 66 LEU H H 1 8.034699511 0.01 . 1 . . . . . 66 LEU H . 52028 1 312 . 1 . 1 66 66 LEU C C 13 177.7678545 0.05 . 1 . . . . . 66 LEU C . 52028 1 313 . 1 . 1 66 66 LEU CA C 13 55.36505362 0.1 . 1 . . . . . 66 LEU CA . 52028 1 314 . 1 . 1 66 66 LEU CB C 13 41.65890266 0.2 . 1 . . . . . 66 LEU CB . 52028 1 315 . 1 . 1 66 66 LEU N N 15 121.2531635 0.05 . 1 . . . . . 66 LEU N . 52028 1 316 . 1 . 1 67 67 SER H H 1 7.996644401 0.01 . 1 . . . . . 67 SER H . 52028 1 317 . 1 . 1 67 67 SER C C 13 175.5016936 0.05 . 1 . . . . . 67 SER C . 52028 1 318 . 1 . 1 67 67 SER CA C 13 59.06047033 0.1 . 1 . . . . . 67 SER CA . 52028 1 319 . 1 . 1 67 67 SER CB C 13 63.45518569 0.2 . 1 . . . . . 67 SER CB . 52028 1 320 . 1 . 1 67 67 SER N N 15 115.5302446 0.05 . 1 . . . . . 67 SER N . 52028 1 321 . 1 . 1 68 68 GLY H H 1 8.263897104 0.01 . 1 . . . . . 68 GLY H . 52028 1 322 . 1 . 1 68 68 GLY C C 13 174.7719944 0.05 . 1 . . . . . 68 GLY C . 52028 1 323 . 1 . 1 68 68 GLY CA C 13 45.72792175 0.1 . 1 . . . . . 68 GLY CA . 52028 1 324 . 1 . 1 68 68 GLY N N 15 110.5305635 0.05 . 1 . . . . . 68 GLY N . 52028 1 325 . 1 . 1 69 69 GLU H H 1 8.093748229 0.01 . 1 . . . . . 69 GLU H . 52028 1 326 . 1 . 1 69 69 GLU C C 13 177.2955853 0.05 . 1 . . . . . 69 GLU C . 52028 1 327 . 1 . 1 69 69 GLU CA C 13 57.41837879 0.1 . 1 . . . . . 69 GLU CA . 52028 1 328 . 1 . 1 69 69 GLU CB C 13 29.6177136 0.2 . 1 . . . . . 69 GLU CB . 52028 1 329 . 1 . 1 69 69 GLU N N 15 121.0137998 0.05 . 1 . . . . . 69 GLU N . 52028 1 330 . 1 . 1 70 70 ARG H H 1 8.081206806 0.01 . 1 . . . . . 70 ARG H . 52028 1 331 . 1 . 1 70 70 ARG C C 13 177.1324634 0.05 . 1 . . . . . 70 ARG C . 52028 1 332 . 1 . 1 70 70 ARG CA C 13 57.28475497 0.1 . 1 . . . . . 70 ARG CA . 52028 1 333 . 1 . 1 70 70 ARG CB C 13 29.8927701 0.2 . 1 . . . . . 70 ARG CB . 52028 1 334 . 1 . 1 70 70 ARG N N 15 120.0321737 0.05 . 1 . . . . . 70 ARG N . 52028 1 335 . 1 . 1 71 71 GLN H H 1 8.027140736 0.01 . 1 . . . . . 71 GLN H . 52028 1 336 . 1 . 1 71 71 GLN C C 13 176.4415944 0.05 . 1 . . . . . 71 GLN C . 52028 1 337 . 1 . 1 71 71 GLN CA C 13 56.51459677 0.1 . 1 . . . . . 71 GLN CA . 52028 1 338 . 1 . 1 71 71 GLN CB C 13 28.73753281 0.2 . 1 . . . . . 71 GLN CB . 52028 1 339 . 1 . 1 71 71 GLN N N 15 119.2180715 0.05 . 1 . . . . . 71 GLN N . 52028 1 340 . 1 . 1 72 72 ARG H H 1 7.989661668 0.01 . 1 . . . . . 72 ARG H . 52028 1 341 . 1 . 1 72 72 ARG C C 13 176.6861322 0.05 . 1 . . . . . 72 ARG C . 52028 1 342 . 1 . 1 72 72 ARG CA C 13 56.84743495 0.1 . 1 . . . . . 72 ARG CA . 52028 1 343 . 1 . 1 72 72 ARG CB C 13 30.40357684 0.2 . 1 . . . . . 72 ARG CB . 52028 1 344 . 1 . 1 72 72 ARG N N 15 121.163513 0.05 . 1 . . . . . 72 ARG N . 52028 1 345 . 1 . 1 73 73 LYS H H 1 8.048551849 0.01 . 1 . . . . . 73 LYS H . 52028 1 346 . 1 . 1 73 73 LYS C C 13 176.5710825 0.05 . 1 . . . . . 73 LYS C . 52028 1 347 . 1 . 1 73 73 LYS CA C 13 56.65041728 0.1 . 1 . . . . . 73 LYS CA . 52028 1 348 . 1 . 1 73 73 LYS CB C 13 32.54396433 0.2 . 1 . . . . . 73 LYS CB . 52028 1 349 . 1 . 1 73 73 LYS N N 15 121.3819075 0.05 . 1 . . . . . 73 LYS N . 52028 1 350 . 1 . 1 74 74 ARG H H 1 8.036580994 0.01 . 1 . . . . . 74 ARG H . 52028 1 351 . 1 . 1 74 74 ARG C C 13 176.0188441 0.05 . 1 . . . . . 74 ARG C . 52028 1 352 . 1 . 1 74 74 ARG CA C 13 56.14583088 0.1 . 1 . . . . . 74 ARG CA . 52028 1 353 . 1 . 1 74 74 ARG CB C 13 30.46625561 0.2 . 1 . . . . . 74 ARG CB . 52028 1 354 . 1 . 1 74 74 ARG N N 15 121.5547979 0.05 . 1 . . . . . 74 ARG N . 52028 1 355 . 1 . 1 75 75 HIS H H 1 8.245965963 0.01 . 1 . . . . . 75 HIS H . 52028 1 356 . 1 . 1 75 75 HIS C C 13 175.0757614 0.05 . 1 . . . . . 75 HIS C . 52028 1 357 . 1 . 1 75 75 HIS CA C 13 55.94881321 0.1 . 1 . . . . . 75 HIS CA . 52028 1 358 . 1 . 1 75 75 HIS CB C 13 30.22880318 0.2 . 1 . . . . . 75 HIS CB . 52028 1 359 . 1 . 1 75 75 HIS N N 15 120.5165338 0.05 . 1 . . . . . 75 HIS N . 52028 1 360 . 1 . 1 76 76 LYS H H 1 8.208526644 0.01 . 1 . . . . . 76 LYS H . 52028 1 361 . 1 . 1 76 76 LYS C C 13 176.4922416 0.05 . 1 . . . . . 76 LYS C . 52028 1 362 . 1 . 1 76 76 LYS CA C 13 56.68282877 0.1 . 1 . . . . . 76 LYS CA . 52028 1 363 . 1 . 1 76 76 LYS CB C 13 32.71309503 0.2 . 1 . . . . . 76 LYS CB . 52028 1 364 . 1 . 1 76 76 LYS N N 15 123.4602223 0.05 . 1 . . . . . 76 LYS N . 52028 1 365 . 1 . 1 77 77 SER H H 1 8.354042773 0.01 . 1 . . . . . 77 SER H . 52028 1 366 . 1 . 1 77 77 SER C C 13 174.2455557 0.05 . 1 . . . . . 77 SER C . 52028 1 367 . 1 . 1 77 77 SER CA C 13 58.42770034 0.1 . 1 . . . . . 77 SER CA . 52028 1 368 . 1 . 1 77 77 SER CB C 13 63.45211628 0.2 . 1 . . . . . 77 SER CB . 52028 1 369 . 1 . 1 77 77 SER N N 15 116.8850314 0.05 . 1 . . . . . 77 SER N . 52028 1 370 . 1 . 1 78 78 ASP H H 1 8.182144436 0.01 . 1 . . . . . 78 ASP H . 52028 1 371 . 1 . 1 78 78 ASP C C 13 176.1328477 0.05 . 1 . . . . . 78 ASP C . 52028 1 372 . 1 . 1 78 78 ASP CA C 13 54.32719484 0.1 . 1 . . . . . 78 ASP CA . 52028 1 373 . 1 . 1 78 78 ASP CB C 13 40.82395822 0.2 . 1 . . . . . 78 ASP CB . 52028 1 374 . 1 . 1 78 78 ASP N N 15 122.3204636 0.05 . 1 . . . . . 78 ASP N . 52028 1 375 . 1 . 1 79 79 SER H H 1 8.042791071 0.01 . 1 . . . . . 79 SER H . 52028 1 376 . 1 . 1 79 79 SER C C 13 174.4431233 0.05 . 1 . . . . . 79 SER C . 52028 1 377 . 1 . 1 79 79 SER CA C 13 58.4312792 0.1 . 1 . . . . . 79 SER CA . 52028 1 378 . 1 . 1 79 79 SER CB C 13 63.51137432 0.2 . 1 . . . . . 79 SER CB . 52028 1 379 . 1 . 1 79 79 SER N N 15 115.4091107 0.05 . 1 . . . . . 79 SER N . 52028 1 380 . 1 . 1 80 80 ILE H H 1 7.984345946 0.01 . 1 . . . . . 80 ILE H . 52028 1 381 . 1 . 1 80 80 ILE C C 13 176.1964764 0.05 . 1 . . . . . 80 ILE C . 52028 1 382 . 1 . 1 80 80 ILE CA C 13 61.30650015 0.1 . 1 . . . . . 80 ILE CA . 52028 1 383 . 1 . 1 80 80 ILE CB C 13 38.47439271 0.2 . 1 . . . . . 80 ILE CB . 52028 1 384 . 1 . 1 80 80 ILE N N 15 122.362432 0.05 . 1 . . . . . 80 ILE N . 52028 1 385 . 1 . 1 81 81 SER H H 1 8.201196421 0.01 . 1 . . . . . 81 SER H . 52028 1 386 . 1 . 1 81 81 SER C C 13 174.2215226 0.05 . 1 . . . . . 81 SER C . 52028 1 387 . 1 . 1 81 81 SER CA C 13 58.06025406 0.1 . 1 . . . . . 81 SER CA . 52028 1 388 . 1 . 1 81 81 SER CB C 13 63.45401679 0.2 . 1 . . . . . 81 SER CB . 52028 1 389 . 1 . 1 81 81 SER N N 15 119.579526 0.05 . 1 . . . . . 81 SER N . 52028 1 390 . 1 . 1 82 82 LEU H H 1 8.129174938 0.01 . 1 . . . . . 82 LEU H . 52028 1 391 . 1 . 1 82 82 LEU C C 13 177.2743131 0.05 . 1 . . . . . 82 LEU C . 52028 1 392 . 1 . 1 82 82 LEU CA C 13 54.98457633 0.1 . 1 . . . . . 82 LEU CA . 52028 1 393 . 1 . 1 82 82 LEU CB C 13 42.31850076 0.2 . 1 . . . . . 82 LEU CB . 52028 1 394 . 1 . 1 82 82 LEU N N 15 124.4174671 0.05 . 1 . . . . . 82 LEU N . 52028 1 395 . 1 . 1 83 83 SER H H 1 8.237023136 0.01 . 1 . . . . . 83 SER H . 52028 1 396 . 1 . 1 83 83 SER C C 13 174.1526096 0.05 . 1 . . . . . 83 SER C . 52028 1 397 . 1 . 1 83 83 SER CA C 13 57.87703476 0.1 . 1 . . . . . 83 SER CA . 52028 1 398 . 1 . 1 83 83 SER CB C 13 63.78159341 0.2 . 1 . . . . . 83 SER CB . 52028 1 399 . 1 . 1 83 83 SER N N 15 116.8040779 0.05 . 1 . . . . . 83 SER N . 52028 1 400 . 1 . 1 84 84 PHE H H 1 8.27852548 0.01 . 1 . . . . . 84 PHE H . 52028 1 401 . 1 . 1 84 84 PHE C C 13 175.7390298 0.05 . 1 . . . . . 84 PHE C . 52028 1 402 . 1 . 1 84 84 PHE CA C 13 58.71876209 0.1 . 1 . . . . . 84 PHE CA . 52028 1 403 . 1 . 1 84 84 PHE CB C 13 39.27007159 0.2 . 1 . . . . . 84 PHE CB . 52028 1 404 . 1 . 1 84 84 PHE N N 15 122.6780335 0.05 . 1 . . . . . 84 PHE N . 52028 1 405 . 1 . 1 85 85 ASP H H 1 8.143760015 0.01 . 1 . . . . . 85 ASP H . 52028 1 406 . 1 . 1 85 85 ASP C C 13 177.0591837 0.05 . 1 . . . . . 85 ASP C . 52028 1 407 . 1 . 1 85 85 ASP CA C 13 54.67771319 0.1 . 1 . . . . . 85 ASP CA . 52028 1 408 . 1 . 1 85 85 ASP CB C 13 40.71780259 0.2 . 1 . . . . . 85 ASP CB . 52028 1 409 . 1 . 1 85 85 ASP N N 15 121.2728646 0.05 . 1 . . . . . 85 ASP N . 52028 1 410 . 1 . 1 86 86 GLU H H 1 8.230280956 0.01 . 1 . . . . . 86 GLU H . 52028 1 411 . 1 . 1 86 86 GLU C C 13 177.4603508 0.05 . 1 . . . . . 86 GLU C . 52028 1 412 . 1 . 1 86 86 GLU CA C 13 57.72882947 0.1 . 1 . . . . . 86 GLU CA . 52028 1 413 . 1 . 1 86 86 GLU CB C 13 29.74643063 0.2 . 1 . . . . . 86 GLU CB . 52028 1 414 . 1 . 1 86 86 GLU N N 15 122.6736001 0.05 . 1 . . . . . 86 GLU N . 52028 1 415 . 1 . 1 87 87 SER H H 1 8.22076206 0.01 . 1 . . . . . 87 SER H . 52028 1 416 . 1 . 1 87 87 SER C C 13 175.6212897 0.05 . 1 . . . . . 87 SER C . 52028 1 417 . 1 . 1 87 87 SER CA C 13 60.09139701 0.1 . 1 . . . . . 87 SER CA . 52028 1 418 . 1 . 1 87 87 SER CB C 13 62.90753074 0.2 . 1 . . . . . 87 SER CB . 52028 1 419 . 1 . 1 87 87 SER N N 15 116.1728955 0.05 . 1 . . . . . 87 SER N . 52028 1 420 . 1 . 1 88 88 LEU H H 1 7.699217133 0.01 . 1 . . . . . 88 LEU H . 52028 1 421 . 1 . 1 88 88 LEU C C 13 177.7083024 0.05 . 1 . . . . . 88 LEU C . 52028 1 422 . 1 . 1 88 88 LEU CA C 13 55.95766209 0.1 . 1 . . . . . 88 LEU CA . 52028 1 423 . 1 . 1 88 88 LEU CB C 13 41.65714 0.2 . 1 . . . . . 88 LEU CB . 52028 1 424 . 1 . 1 88 88 LEU N N 15 123.5241634 0.05 . 1 . . . . . 88 LEU N . 52028 1 425 . 1 . 1 89 89 ALA H H 1 7.700216872 0.01 . 1 . . . . . 89 ALA H . 52028 1 426 . 1 . 1 89 89 ALA C C 13 178.5888859 0.05 . 1 . . . . . 89 ALA C . 52028 1 427 . 1 . 1 89 89 ALA CA C 13 53.22932974 0.1 . 1 . . . . . 89 ALA CA . 52028 1 428 . 1 . 1 89 89 ALA CB C 13 18.39842457 0.2 . 1 . . . . . 89 ALA CB . 52028 1 429 . 1 . 1 89 89 ALA N N 15 122.4301578 0.05 . 1 . . . . . 89 ALA N . 52028 1 430 . 1 . 1 90 90 LEU H H 1 7.729291887 0.01 . 1 . . . . . 90 LEU H . 52028 1 431 . 1 . 1 90 90 LEU C C 13 177.5726773 0.05 . 1 . . . . . 90 LEU C . 52028 1 432 . 1 . 1 90 90 LEU CA C 13 55.58991056 0.1 . 1 . . . . . 90 LEU CA . 52028 1 433 . 1 . 1 90 90 LEU CB C 13 41.92631363 0.2 . 1 . . . . . 90 LEU CB . 52028 1 434 . 1 . 1 90 90 LEU N N 15 119.4207501 0.05 . 1 . . . . . 90 LEU N . 52028 1 435 . 1 . 1 91 91 ALA H H 1 7.806589231 0.01 . 1 . . . . . 91 ALA H . 52028 1 436 . 1 . 1 91 91 ALA C C 13 178.2541828 0.05 . 1 . . . . . 91 ALA C . 52028 1 437 . 1 . 1 91 91 ALA CA C 13 53.12555575 0.1 . 1 . . . . . 91 ALA CA . 52028 1 438 . 1 . 1 91 91 ALA CB C 13 18.60371766 0.2 . 1 . . . . . 91 ALA CB . 52028 1 439 . 1 . 1 91 91 ALA N N 15 123.4264199 0.05 . 1 . . . . . 91 ALA N . 52028 1 440 . 1 . 1 92 92 VAL H H 1 7.749051512 0.01 . 1 . . . . . 92 VAL H . 52028 1 441 . 1 . 1 92 92 VAL C C 13 176.5816527 0.05 . 1 . . . . . 92 VAL C . 52028 1 442 . 1 . 1 92 92 VAL CA C 13 63.24871864 0.1 . 1 . . . . . 92 VAL CA . 52028 1 443 . 1 . 1 92 92 VAL CB C 13 32.23807094 0.2 . 1 . . . . . 92 VAL CB . 52028 1 444 . 1 . 1 92 92 VAL N N 15 119.2370891 0.05 . 1 . . . . . 92 VAL N . 52028 1 445 . 1 . 1 93 93 ILE H H 1 7.843777417 0.01 . 1 . . . . . 93 ILE H . 52028 1 446 . 1 . 1 93 93 ILE C C 13 176.722015 0.05 . 1 . . . . . 93 ILE C . 52028 1 447 . 1 . 1 93 93 ILE CA C 13 61.82459417 0.1 . 1 . . . . . 93 ILE CA . 52028 1 448 . 1 . 1 93 93 ILE CB C 13 37.88872625 0.2 . 1 . . . . . 93 ILE CB . 52028 1 449 . 1 . 1 93 93 ILE N N 15 123.7351041 0.05 . 1 . . . . . 93 ILE N . 52028 1 450 . 1 . 1 94 94 ARG H H 1 8.137045382 0.01 . 1 . . . . . 94 ARG H . 52028 1 451 . 1 . 1 94 94 ARG C C 13 176.5363179 0.05 . 1 . . . . . 94 ARG C . 52028 1 452 . 1 . 1 94 94 ARG CA C 13 56.55492186 0.1 . 1 . . . . . 94 ARG CA . 52028 1 453 . 1 . 1 94 94 ARG CB C 13 30.54659738 0.2 . 1 . . . . . 94 ARG CB . 52028 1 454 . 1 . 1 94 94 ARG N N 15 124.2190757 0.05 . 1 . . . . . 94 ARG N . 52028 1 455 . 1 . 1 95 95 GLU H H 1 8.157867323 0.01 . 1 . . . . . 95 GLU H . 52028 1 456 . 1 . 1 95 95 GLU C C 13 176.8333099 0.05 . 1 . . . . . 95 GLU C . 52028 1 457 . 1 . 1 95 95 GLU CA C 13 56.89930987 0.1 . 1 . . . . . 95 GLU CA . 52028 1 458 . 1 . 1 95 95 GLU CB C 13 29.8138647 0.2 . 1 . . . . . 95 GLU CB . 52028 1 459 . 1 . 1 95 95 GLU N N 15 122.1940039 0.05 . 1 . . . . . 95 GLU N . 52028 1 460 . 1 . 1 96 96 ILE H H 1 8.075039 0.01 . 1 . . . . . 96 ILE H . 52028 1 461 . 1 . 1 96 96 ILE C C 13 176.4940852 0.05 . 1 . . . . . 96 ILE C . 52028 1 462 . 1 . 1 96 96 ILE CA C 13 61.73825405 0.1 . 1 . . . . . 96 ILE CA . 52028 1 463 . 1 . 1 96 96 ILE CB C 13 38.35279917 0.2 . 1 . . . . . 96 ILE CB . 52028 1 464 . 1 . 1 96 96 ILE N N 15 122.344167 0.05 . 1 . . . . . 96 ILE N . 52028 1 465 . 1 . 1 97 97 ALA H H 1 8.128107808 0.01 . 1 . . . . . 97 ALA H . 52028 1 466 . 1 . 1 97 97 ALA C C 13 177.7893066 0.05 . 1 . . . . . 97 ALA C . 52028 1 467 . 1 . 1 97 97 ALA CA C 13 52.82354563 0.1 . 1 . . . . . 97 ALA CA . 52028 1 468 . 1 . 1 97 97 ALA CB C 13 18.70526438 0.2 . 1 . . . . . 97 ALA CB . 52028 1 469 . 1 . 1 97 97 ALA N N 15 126.9914902 0.05 . 1 . . . . . 97 ALA N . 52028 1 470 . 1 . 1 98 98 ALA H H 1 8.011276574 0.01 . 1 . . . . . 98 ALA H . 52028 1 471 . 1 . 1 98 98 ALA C C 13 178.0665698 0.05 . 1 . . . . . 98 ALA C . 52028 1 472 . 1 . 1 98 98 ALA CA C 13 52.62082282 0.1 . 1 . . . . . 98 ALA CA . 52028 1 473 . 1 . 1 98 98 ALA CB C 13 18.86143591 0.2 . 1 . . . . . 98 ALA CB . 52028 1 474 . 1 . 1 98 98 ALA N N 15 122.8081634 0.05 . 1 . . . . . 98 ALA N . 52028 1 475 . 1 . 1 99 99 GLU H H 1 8.116356105 0.01 . 1 . . . . . 99 GLU H . 52028 1 476 . 1 . 1 99 99 GLU C C 13 176.7132045 0.05 . 1 . . . . . 99 GLU C . 52028 1 477 . 1 . 1 99 99 GLU CA C 13 56.68031996 0.1 . 1 . . . . . 99 GLU CA . 52028 1 478 . 1 . 1 99 99 GLU CB C 13 29.81123393 0.2 . 1 . . . . . 99 GLU CB . 52028 1 479 . 1 . 1 99 99 GLU N N 15 119.9252947 0.05 . 1 . . . . . 99 GLU N . 52028 1 480 . 1 . 1 100 100 ARG H H 1 8.159456827 0.01 . 1 . . . . . 100 ARG H . 52028 1 481 . 1 . 1 100 100 ARG C C 13 176.436644 0.05 . 1 . . . . . 100 ARG C . 52028 1 482 . 1 . 1 100 100 ARG CA C 13 56.04114286 0.1 . 1 . . . . . 100 ARG CA . 52028 1 483 . 1 . 1 100 100 ARG CB C 13 30.57859606 0.2 . 1 . . . . . 100 ARG CB . 52028 1 484 . 1 . 1 100 100 ARG N N 15 121.7244276 0.05 . 1 . . . . . 100 ARG N . 52028 1 485 . 1 . 1 101 101 SER H H 1 8.23555651 0.01 . 1 . . . . . 101 SER H . 52028 1 486 . 1 . 1 101 101 SER C C 13 174.6769938 0.05 . 1 . . . . . 101 SER C . 52028 1 487 . 1 . 1 101 101 SER CA C 13 58.19599097 0.1 . 1 . . . . . 101 SER CA . 52028 1 488 . 1 . 1 101 101 SER CB C 13 63.59787047 0.2 . 1 . . . . . 101 SER CB . 52028 1 489 . 1 . 1 101 101 SER N N 15 116.9829055 0.05 . 1 . . . . . 101 SER N . 52028 1 490 . 1 . 1 102 102 SER H H 1 8.272273091 0.01 . 1 . . . . . 102 SER H . 52028 1 491 . 1 . 1 102 102 SER C C 13 174.5781371 0.05 . 1 . . . . . 102 SER C . 52028 1 492 . 1 . 1 102 102 SER CA C 13 58.37147789 0.1 . 1 . . . . . 102 SER CA . 52028 1 493 . 1 . 1 102 102 SER CB C 13 63.56672812 0.2 . 1 . . . . . 102 SER CB . 52028 1 494 . 1 . 1 102 102 SER N N 15 117.8253358 0.05 . 1 . . . . . 102 SER N . 52028 1 495 . 1 . 1 103 103 SER H H 1 8.213306959 0.01 . 1 . . . . . 103 SER H . 52028 1 496 . 1 . 1 103 103 SER C C 13 174.6275655 0.05 . 1 . . . . . 103 SER C . 52028 1 497 . 1 . 1 103 103 SER CA C 13 58.34195942 0.1 . 1 . . . . . 103 SER CA . 52028 1 498 . 1 . 1 103 103 SER CB C 13 63.59624659 0.2 . 1 . . . . . 103 SER CB . 52028 1 499 . 1 . 1 103 103 SER N N 15 117.5774 0.05 . 1 . . . . . 103 SER N . 52028 1 500 . 1 . 1 104 104 SER H H 1 8.203601423 0.01 . 1 . . . . . 104 SER H . 52028 1 501 . 1 . 1 104 104 SER C C 13 174.4677805 0.05 . 1 . . . . . 104 SER C . 52028 1 502 . 1 . 1 104 104 SER CA C 13 58.50393453 0.1 . 1 . . . . . 104 SER CA . 52028 1 503 . 1 . 1 104 104 SER CB C 13 63.46856249 0.2 . 1 . . . . . 104 SER CB . 52028 1 504 . 1 . 1 104 104 SER N N 15 117.8267957 0.05 . 1 . . . . . 104 SER N . 52028 1 505 . 1 . 1 105 105 GLU H H 1 8.229495601 0.01 . 1 . . . . . 105 GLU H . 52028 1 506 . 1 . 1 105 105 GLU C C 13 176.5073606 0.05 . 1 . . . . . 105 GLU C . 52028 1 507 . 1 . 1 105 105 GLU CA C 13 56.51083665 0.1 . 1 . . . . . 105 GLU CA . 52028 1 508 . 1 . 1 105 105 GLU CB C 13 29.93991328 0.2 . 1 . . . . . 105 GLU CB . 52028 1 509 . 1 . 1 105 105 GLU N N 15 122.3515886 0.05 . 1 . . . . . 105 GLU N . 52028 1 510 . 1 . 1 106 106 SER H H 1 8.221206871 0.01 . 1 . . . . . 106 SER H . 52028 1 511 . 1 . 1 106 106 SER C C 13 174.8168662 0.05 . 1 . . . . . 106 SER C . 52028 1 512 . 1 . 1 106 106 SER CA C 13 58.20699557 0.1 . 1 . . . . . 106 SER CA . 52028 1 513 . 1 . 1 106 106 SER CB C 13 63.49324463 0.2 . 1 . . . . . 106 SER CB . 52028 1 514 . 1 . 1 106 106 SER N N 15 116.611958 0.05 . 1 . . . . . 106 SER N . 52028 1 515 . 1 . 1 107 107 THR H H 1 8.075966891 0.01 . 1 . . . . . 107 THR H . 52028 1 516 . 1 . 1 107 107 THR C C 13 174.9792657 0.05 . 1 . . . . . 107 THR C . 52028 1 517 . 1 . 1 107 107 THR CA C 13 61.79790059 0.1 . 1 . . . . . 107 THR CA . 52028 1 518 . 1 . 1 107 107 THR CB C 13 69.46500909 0.2 . 1 . . . . . 107 THR CB . 52028 1 519 . 1 . 1 107 107 THR N N 15 115.4204879 0.05 . 1 . . . . . 107 THR N . 52028 1 520 . 1 . 1 108 108 GLY H H 1 8.218674472 0.01 . 1 . . . . . 108 GLY H . 52028 1 521 . 1 . 1 108 108 GLY C C 13 173.6600532 0.05 . 1 . . . . . 108 GLY C . 52028 1 522 . 1 . 1 108 108 GLY CA C 13 44.92079754 0.1 . 1 . . . . . 108 GLY CA . 52028 1 523 . 1 . 1 108 108 GLY N N 15 110.9253641 0.05 . 1 . . . . . 108 GLY N . 52028 1 524 . 1 . 1 109 109 THR H H 1 8.000148295 0.01 . 1 . . . . . 109 THR H . 52028 1 525 . 1 . 1 109 109 THR C C 13 172.6971146 0.05 . 1 . . . . . 109 THR C . 52028 1 526 . 1 . 1 109 109 THR CA C 13 59.64477191 0.1 . 1 . . . . . 109 THR CA . 52028 1 527 . 1 . 1 109 109 THR CB C 13 69.51995671 0.2 . 1 . . . . . 109 THR CB . 52028 1 528 . 1 . 1 109 109 THR N N 15 116.7350457 0.05 . 1 . . . . . 109 THR N . 52028 1 529 . 1 . 1 110 110 PRO C C 13 176.7124066 0.05 . 1 . . . . . 110 PRO C . 52028 1 530 . 1 . 1 110 110 PRO CA C 13 63.01492533 0.1 . 1 . . . . . 110 PRO CA . 52028 1 531 . 1 . 1 110 110 PRO CB C 13 31.98217206 0.2 . 1 . . . . . 110 PRO CB . 52028 1 532 . 1 . 1 111 111 SER H H 1 8.315534461 0.01 . 1 . . . . . 111 SER H . 52028 1 533 . 1 . 1 111 111 SER C C 13 173.7154054 0.05 . 1 . . . . . 111 SER C . 52028 1 534 . 1 . 1 111 111 SER CA C 13 58.19808533 0.1 . 1 . . . . . 111 SER CA . 52028 1 535 . 1 . 1 111 111 SER CB C 13 63.48486094 0.2 . 1 . . . . . 111 SER CB . 52028 1 536 . 1 . 1 111 111 SER N N 15 116.5071138 0.05 . 1 . . . . . 111 SER N . 52028 1 537 . 1 . 1 112 112 ASN H H 1 8.34226019 0.01 . 1 . . . . . 112 ASN H . 52028 1 538 . 1 . 1 112 112 ASN C C 13 173.3111856 0.05 . 1 . . . . . 112 ASN C . 52028 1 539 . 1 . 1 112 112 ASN CA C 13 56.08053311 0.1 . 1 . . . . . 112 ASN CA . 52028 1 540 . 1 . 1 112 112 ASN CB C 13 40.72006172 0.2 . 1 . . . . . 112 ASN CB . 52028 1 541 . 1 . 1 112 112 ASN N N 15 121.2192723 0.05 . 1 . . . . . 112 ASN N . 52028 1 542 . 1 . 1 113 113 PRO C C 13 176.5165874 0.05 . 1 . . . . . 113 PRO C . 52028 1 543 . 1 . 1 113 113 PRO CA C 13 63.37328168 0.1 . 1 . . . . . 113 PRO CA . 52028 1 544 . 1 . 1 113 113 PRO CB C 13 31.9094558 0.2 . 1 . . . . . 113 PRO CB . 52028 1 545 . 1 . 1 114 114 ASP H H 1 8.105845744 0.01 . 1 . . . . . 114 ASP H . 52028 1 546 . 1 . 1 114 114 ASP C C 13 176.304724 0.05 . 1 . . . . . 114 ASP C . 52028 1 547 . 1 . 1 114 114 ASP CA C 13 54.36877789 0.1 . 1 . . . . . 114 ASP CA . 52028 1 548 . 1 . 1 114 114 ASP CB C 13 40.53555127 0.2 . 1 . . . . . 114 ASP CB . 52028 1 549 . 1 . 1 114 114 ASP N N 15 119.37438 0.05 . 1 . . . . . 114 ASP N . 52028 1 550 . 1 . 1 115 115 LEU H H 1 7.815117059 0.01 . 1 . . . . . 115 LEU H . 52028 1 551 . 1 . 1 115 115 LEU C C 13 177.1603481 0.05 . 1 . . . . . 115 LEU C . 52028 1 552 . 1 . 1 115 115 LEU CA C 13 55.15248921 0.1 . 1 . . . . . 115 LEU CA . 52028 1 553 . 1 . 1 115 115 LEU CB C 13 42.01488661 0.2 . 1 . . . . . 115 LEU CB . 52028 1 554 . 1 . 1 115 115 LEU N N 15 122.0497757 0.05 . 1 . . . . . 115 LEU N . 52028 1 555 . 1 . 1 116 116 ASP H H 1 8.092181399 0.01 . 1 . . . . . 116 ASP H . 52028 1 556 . 1 . 1 116 116 ASP C C 13 175.9015873 0.05 . 1 . . . . . 116 ASP C . 52028 1 557 . 1 . 1 116 116 ASP CA C 13 54.23382332 0.1 . 1 . . . . . 116 ASP CA . 52028 1 558 . 1 . 1 116 116 ASP CB C 13 40.92367648 0.2 . 1 . . . . . 116 ASP CB . 52028 1 559 . 1 . 1 116 116 ASP N N 15 120.8282775 0.05 . 1 . . . . . 116 ASP N . 52028 1 560 . 1 . 1 117 117 ALA H H 1 7.991027522 0.01 . 1 . . . . . 117 ALA H . 52028 1 561 . 1 . 1 117 117 ALA C C 13 178.1790031 0.05 . 1 . . . . . 117 ALA C . 52028 1 562 . 1 . 1 117 117 ALA CA C 13 52.59100006 0.1 . 1 . . . . . 117 ALA CA . 52028 1 563 . 1 . 1 117 117 ALA CB C 13 19.00057792 0.2 . 1 . . . . . 117 ALA CB . 52028 1 564 . 1 . 1 117 117 ALA N N 15 124.4575448 0.05 . 1 . . . . . 117 ALA N . 52028 1 565 . 1 . 1 118 118 GLY H H 1 8.217971877 0.01 . 1 . . . . . 118 GLY H . 52028 1 566 . 1 . 1 118 118 GLY C C 13 173.8761467 0.05 . 1 . . . . . 118 GLY C . 52028 1 567 . 1 . 1 118 118 GLY CA C 13 45.02849572 0.1 . 1 . . . . . 118 GLY CA . 52028 1 568 . 1 . 1 118 118 GLY N N 15 107.8176855 0.05 . 1 . . . . . 118 GLY N . 52028 1 569 . 1 . 1 119 119 VAL H H 1 7.808548827 0.01 . 1 . . . . . 119 VAL H . 52028 1 570 . 1 . 1 119 119 VAL C C 13 176.039408 0.05 . 1 . . . . . 119 VAL C . 52028 1 571 . 1 . 1 119 119 VAL CA C 13 61.87737174 0.1 . 1 . . . . . 119 VAL CA . 52028 1 572 . 1 . 1 119 119 VAL CB C 13 32.68600856 0.2 . 1 . . . . . 119 VAL CB . 52028 1 573 . 1 . 1 119 119 VAL N N 15 119.0582453 0.05 . 1 . . . . . 119 VAL N . 52028 1 574 . 1 . 1 120 120 SER H H 1 8.310620688 0.01 . 1 . . . . . 120 SER H . 52028 1 575 . 1 . 1 120 120 SER C C 13 173.3952077 0.05 . 1 . . . . . 120 SER C . 52028 1 576 . 1 . 1 120 120 SER CA C 13 57.98534456 0.1 . 1 . . . . . 120 SER CA . 52028 1 577 . 1 . 1 120 120 SER CB C 13 63.80643978 0.2 . 1 . . . . . 120 SER CB . 52028 1 578 . 1 . 1 120 120 SER N N 15 120.2962337 0.05 . 1 . . . . . 120 SER N . 52028 1 579 . 1 . 1 121 121 GLU H H 1 7.938260792 0.01 . 1 . . . . . 121 GLU H . 52028 1 580 . 1 . 1 121 121 GLU C C 13 175.1913818 0.05 . 1 . . . . . 121 GLU C . 52028 1 581 . 1 . 1 121 121 GLU CA C 13 57.92071122 0.1 . 1 . . . . . 121 GLU CA . 52028 1 582 . 1 . 1 121 121 GLU CB C 13 30.81296502 0.2 . 1 . . . . . 121 GLU CB . 52028 1 583 . 1 . 1 121 121 GLU N N 15 127.9936209 0.05 . 1 . . . . . 121 GLU N . 52028 1 stop_ save_