data_16363 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16363 _Entry.Title ; Solution structure of the Nuclear coactivator binding domain of CBP ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-06-24 _Entry.Accession_date 2009-06-24 _Entry.Last_release_date 2010-08-16 _Entry.Original_release_date 2010-08-16 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details 'Structure of the ligand free state of the nuclear coactivator binding domaing of CBP.' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Magnus Kjaergaard . . . 16363 2 Kaare Teilum . . . 16363 3 Flemming Poulsen . M. . 16363 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'not applicable' 'not applicable' . 16363 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID CBP . 16363 'CREB binding protein' . 16363 iBID . 16363 'nuclear coactivator domain' . 16363 p160 . 16363 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16363 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 236 16363 '15N chemical shifts' 49 16363 '1H chemical shifts' 372 16363 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 . . 2010-08-16 2009-06-24 original author . 16363 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1JJS 'another ligand free structure' 16363 PDB 1KBH 'ligand bound structure' 16363 PDB 1zoq 'ligand bound structure' 16363 PDB 2c52 'ligand bound structure' 16363 PDB 2KKJ 'BMRB Entry Tracking System' 16363 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16363 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20616042 _Citation.Full_citation . _Citation.Title 'Conformational selection in the molten globule state of the nuclear coactivator binding domain of CBP' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U S A.' _Citation.Journal_name_full . _Citation.Journal_volume 107 _Citation.Journal_issue 28 _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 12535 _Citation.Page_last 12540 _Citation.Year 2010 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Magnus Kjaergaard . . . 16363 1 2 Kaare Teilum . . . 16363 1 3 Flemming Poulsen . . . 16363 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16363 _Assembly.ID 1 _Assembly.Name CBP _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _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 CBP 1 $entity A . yes native no no . . . 16363 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 16363 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CBP _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; PNRSISPSALQDLLRTLKSP SSPQQQQQVLNILKSNPQLM AAFIKQRTAKYVANQPGMQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 59 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'Nuclear coactivator binding domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6568.623 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15398 . CBP . . . . . 100.00 59 100.00 100.00 2.12e-31 . . . . 16363 1 2 no BMRB 17073 . CBP . . . . . 100.00 59 100.00 100.00 2.12e-31 . . . . 16363 1 3 no PDB 1JJS . "Nmr Structure Of Ibid, A Domain Of CbpP300" . . . . . 77.97 50 100.00 100.00 5.09e-14 . . . . 16363 1 4 no PDB 1KBH . "Mutual Synergistic Folding In The Interaction Between Nuclear Receptor Coactivators Cbp And Actr" . . . . . 98.31 59 100.00 100.00 1.40e-30 . . . . 16363 1 5 no PDB 1ZOQ . "Irf3-Cbp Complex" . . . . . 79.66 47 100.00 100.00 1.72e-14 . . . . 16363 1 6 no PDB 2C52 . "Structural Diversity In Cbp P160 Complexes" . . . . . 100.00 59 100.00 100.00 2.12e-31 . . . . 16363 1 7 no PDB 2KKJ . "Solution Structure Of The Nuclear Coactivator Binding Domain Of Cbp" . . . . . 100.00 59 100.00 100.00 2.12e-31 . . . . 16363 1 8 no PDB 2L14 . "Structure Of Cbp Nuclear Coactivator Binding Domain In Complex With P53 Tad" . . . . . 100.00 59 100.00 100.00 2.12e-31 . . . . 16363 1 9 no DBJ BAE06125 . "CREBBP variant protein [Homo sapiens]" . . . . . 100.00 2404 98.31 98.31 1.50e-26 . . . . 16363 1 10 no DBJ BAI45616 . "CREB binding protein [synthetic construct]" . . . . . 100.00 2442 98.31 98.31 1.60e-26 . . . . 16363 1 11 no GB AAB28651 . "CREB-binding protein [Mus sp.]" . . . . . 100.00 2441 100.00 100.00 1.08e-27 . . . . 16363 1 12 no GB AAC17736 . "CBP [Homo sapiens]" . . . . . 100.00 923 98.31 98.31 9.84e-27 . . . . 16363 1 13 no GB AAC51331 . "CREB-binding protein [Homo sapiens]" . . . . . 100.00 2442 98.31 98.31 1.60e-26 . . . . 16363 1 14 no GB AAC51340 . "CREB-binding protein [Homo sapiens]" . . . . . 100.00 932 98.31 98.31 1.11e-26 . . . . 16363 1 15 no GB AAC51770 . "CREB-binding protein [Homo sapiens]" . . . . . 100.00 2442 98.31 98.31 1.60e-26 . . . . 16363 1 16 no PRF 1923401A . "protein CBP" . . . . . 100.00 2441 100.00 100.00 1.11e-27 . . . . 16363 1 17 no REF NP_001020603 . "CREB-binding protein [Mus musculus]" . . . . . 100.00 2441 98.31 98.31 1.54e-26 . . . . 16363 1 18 no REF NP_001073315 . "CREB-binding protein isoform b [Homo sapiens]" . . . . . 100.00 2404 98.31 98.31 1.50e-26 . . . . 16363 1 19 no REF NP_001247644 . "CREB-binding protein [Macaca mulatta]" . . . . . 100.00 2442 98.31 98.31 1.64e-26 . . . . 16363 1 20 no REF NP_004371 . "CREB-binding protein isoform a [Homo sapiens]" . . . . . 100.00 2442 98.31 98.31 1.60e-26 . . . . 16363 1 21 no REF NP_596872 . "CREB-binding protein [Rattus norvegicus]" . . . . . 100.00 2444 98.31 98.31 1.48e-26 . . . . 16363 1 22 no SP P45481 . "RecName: Full=CREB-binding protein" . . . . . 100.00 2441 98.31 98.31 1.63e-26 . . . . 16363 1 23 no SP Q6JHU9 . "RecName: Full=CREB-binding protein" . . . . . 100.00 2442 98.31 98.31 1.38e-26 . . . . 16363 1 24 no SP Q92793 . "RecName: Full=CREB-binding protein" . . . . . 100.00 2442 98.31 98.31 1.60e-26 . . . . 16363 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 . PRO . 16363 1 2 . ASN . 16363 1 3 . ARG . 16363 1 4 . SER . 16363 1 5 . ILE . 16363 1 6 . SER . 16363 1 7 . PRO . 16363 1 8 . SER . 16363 1 9 . ALA . 16363 1 10 . LEU . 16363 1 11 . GLN . 16363 1 12 . ASP . 16363 1 13 . LEU . 16363 1 14 . LEU . 16363 1 15 . ARG . 16363 1 16 . THR . 16363 1 17 . LEU . 16363 1 18 . LYS . 16363 1 19 . SER . 16363 1 20 . PRO . 16363 1 21 . SER . 16363 1 22 . SER . 16363 1 23 . PRO . 16363 1 24 . GLN . 16363 1 25 . GLN . 16363 1 26 . GLN . 16363 1 27 . GLN . 16363 1 28 . GLN . 16363 1 29 . VAL . 16363 1 30 . LEU . 16363 1 31 . ASN . 16363 1 32 . ILE . 16363 1 33 . LEU . 16363 1 34 . LYS . 16363 1 35 . SER . 16363 1 36 . ASN . 16363 1 37 . PRO . 16363 1 38 . GLN . 16363 1 39 . LEU . 16363 1 40 . MET . 16363 1 41 . ALA . 16363 1 42 . ALA . 16363 1 43 . PHE . 16363 1 44 . ILE . 16363 1 45 . LYS . 16363 1 46 . GLN . 16363 1 47 . ARG . 16363 1 48 . THR . 16363 1 49 . ALA . 16363 1 50 . LYS . 16363 1 51 . TYR . 16363 1 52 . VAL . 16363 1 53 . ALA . 16363 1 54 . ASN . 16363 1 55 . GLN . 16363 1 56 . PRO . 16363 1 57 . GLY . 16363 1 58 . MET . 16363 1 59 . GLN . 16363 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 . PRO 1 1 16363 1 . ASN 2 2 16363 1 . ARG 3 3 16363 1 . SER 4 4 16363 1 . ILE 5 5 16363 1 . SER 6 6 16363 1 . PRO 7 7 16363 1 . SER 8 8 16363 1 . ALA 9 9 16363 1 . LEU 10 10 16363 1 . GLN 11 11 16363 1 . ASP 12 12 16363 1 . LEU 13 13 16363 1 . LEU 14 14 16363 1 . ARG 15 15 16363 1 . THR 16 16 16363 1 . LEU 17 17 16363 1 . LYS 18 18 16363 1 . SER 19 19 16363 1 . PRO 20 20 16363 1 . SER 21 21 16363 1 . SER 22 22 16363 1 . PRO 23 23 16363 1 . GLN 24 24 16363 1 . GLN 25 25 16363 1 . GLN 26 26 16363 1 . GLN 27 27 16363 1 . GLN 28 28 16363 1 . VAL 29 29 16363 1 . LEU 30 30 16363 1 . ASN 31 31 16363 1 . ILE 32 32 16363 1 . LEU 33 33 16363 1 . LYS 34 34 16363 1 . SER 35 35 16363 1 . ASN 36 36 16363 1 . PRO 37 37 16363 1 . GLN 38 38 16363 1 . LEU 39 39 16363 1 . MET 40 40 16363 1 . ALA 41 41 16363 1 . ALA 42 42 16363 1 . PHE 43 43 16363 1 . ILE 44 44 16363 1 . LYS 45 45 16363 1 . GLN 46 46 16363 1 . ARG 47 47 16363 1 . THR 48 48 16363 1 . ALA 49 49 16363 1 . LYS 50 50 16363 1 . TYR 51 51 16363 1 . VAL 52 52 16363 1 . ALA 53 53 16363 1 . ASN 54 54 16363 1 . GLN 55 55 16363 1 . PRO 56 56 16363 1 . GLY 57 57 16363 1 . MET 58 58 16363 1 . GLN 59 59 16363 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 16363 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 16363 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 16363 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET22b . . . 'Coexpressed with ACTR' . . 16363 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16363 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _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 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16363 1 2 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 16363 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 16363 1 4 protein '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 2 . . mM . . . . 16363 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16363 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 16363 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 16363 1 pH 6.5 . pH 16363 1 pressure 1 . atm 16363 1 temperature 304 . K 16363 1 stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 16363 _Software.ID 1 _Software.Name ARIA _Software.Version 2.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 16363 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16363 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16363 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16363 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16363 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 750 . . . 16363 1 2 spectrometer_2 Bruker Avance . 800 . . . 16363 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 16363 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16363 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16363 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16363 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16363 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16363 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16363 1 7 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16363 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16363 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16363 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 16363 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16363 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 16363 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16363 _Assigned_chem_shift_list.ID 1 _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 $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16363 1 2 '2D 1H-13C HSQC' . . . 16363 1 3 '3D HNCO' . . . 16363 1 4 '3D HNCACB' . . . 16363 1 5 '3D CBCA(CO)NH' . . . 16363 1 6 '3D 1H-15N NOESY' . . . 16363 1 7 '3D 1H-15N TOCSY' . . . 16363 1 8 '3D HCCH-TOCSY' . . . 16363 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 4 4 SER HA H 1 4.485 . . 1 . . . . 4 S HA . 16363 1 2 . 1 1 4 4 SER HB2 H 1 3.855 . . 2 . . . . 4 S QB . 16363 1 3 . 1 1 4 4 SER HB3 H 1 3.855 . . 2 . . . . 4 S QB . 16363 1 4 . 1 1 4 4 SER C C 13 174.079 . . 1 . . . . 4 S C . 16363 1 5 . 1 1 4 4 SER CA C 13 58.354 . . 1 . . . . 4 S CA . 16363 1 6 . 1 1 4 4 SER CB C 13 63.978 . . 1 . . . . 4 S CB . 16363 1 7 . 1 1 5 5 ILE H H 1 8.145 . . 1 . . . . 5 I HN . 16363 1 8 . 1 1 5 5 ILE HA H 1 4.208 . . 1 . . . . 5 I HA . 16363 1 9 . 1 1 5 5 ILE HB H 1 1.797 . . 1 . . . . 5 I HB . 16363 1 10 . 1 1 5 5 ILE HD11 H 1 0.790 . . . . . . . 5 I QD1 . 16363 1 11 . 1 1 5 5 ILE HD12 H 1 0.790 . . . . . . . 5 I QD1 . 16363 1 12 . 1 1 5 5 ILE HD13 H 1 0.790 . . . . . . . 5 I QD1 . 16363 1 13 . 1 1 5 5 ILE HG12 H 1 1.107 . . 2 . . . . 5 I HG12 . 16363 1 14 . 1 1 5 5 ILE HG13 H 1 1.455 . . 2 . . . . 5 I HG13 . 16363 1 15 . 1 1 5 5 ILE HG21 H 1 0.859 . . . . . . . 5 I QG2 . 16363 1 16 . 1 1 5 5 ILE HG22 H 1 0.859 . . . . . . . 5 I QG2 . 16363 1 17 . 1 1 5 5 ILE HG23 H 1 0.859 . . . . . . . 5 I QG2 . 16363 1 18 . 1 1 5 5 ILE C C 13 175.563 . . 1 . . . . 5 I C . 16363 1 19 . 1 1 5 5 ILE CA C 13 60.646 . . 1 . . . . 5 I CA . 16363 1 20 . 1 1 5 5 ILE CB C 13 39.181 . . 1 . . . . 5 I CB . 16363 1 21 . 1 1 5 5 ILE CD1 C 13 13.096 . . 1 . . . . 5 I CD1 . 16363 1 22 . 1 1 5 5 ILE CG1 C 13 27.290 . . 1 . . . . 5 I CG1 . 16363 1 23 . 1 1 5 5 ILE CG2 C 13 17.743 . . 1 . . . . 5 I CG2 . 16363 1 24 . 1 1 5 5 ILE N N 15 122.241 . . 1 . . . . 5 I N . 16363 1 25 . 1 1 6 6 SER H H 1 8.424 . . 1 . . . . 6 S HN . 16363 1 26 . 1 1 6 6 SER HB2 H 1 4.024 . . 2 . . . . 6 S HB2 . 16363 1 27 . 1 1 6 6 SER HB3 H 1 4.029 . . 2 . . . . 6 S HB3 . 16363 1 28 . 1 1 6 6 SER CA C 13 56.279 . . 1 . . . . 6 S CA . 16363 1 29 . 1 1 6 6 SER CB C 13 63.434 . . 1 . . . . 6 S CB . 16363 1 30 . 1 1 6 6 SER N N 15 122.242 . . 1 . . . . 6 S N . 16363 1 31 . 1 1 7 7 PRO HA H 1 4.371 . . 1 . . . . 7 P HA . 16363 1 32 . 1 1 7 7 PRO HB2 H 1 2.002 . . 2 . . . . 7 P HB2 . 16363 1 33 . 1 1 7 7 PRO HB3 H 1 2.372 . . 2 . . . . 7 P HB3 . 16363 1 34 . 1 1 7 7 PRO HD2 H 1 3.587 . . 2 . . . . 7 P HD2 . 16363 1 35 . 1 1 7 7 PRO HD3 H 1 3.822 . . 2 . . . . 7 P HD3 . 16363 1 36 . 1 1 7 7 PRO HG2 H 1 2.047 . . 2 . . . . 7 P QG . 16363 1 37 . 1 1 7 7 PRO HG3 H 1 2.047 . . 2 . . . . 7 P QG . 16363 1 38 . 1 1 7 7 PRO C C 13 178.231 . . 1 . . . . 7 P C . 16363 1 39 . 1 1 7 7 PRO CA C 13 64.648 . . 1 . . . . 7 P CA . 16363 1 40 . 1 1 7 7 PRO CB C 13 32.267 . . 1 . . . . 7 P CB . 16363 1 41 . 1 1 7 7 PRO CD C 13 50.691 . . 1 . . . . 7 P CD . 16363 1 42 . 1 1 7 7 PRO CG C 13 27.486 . . 1 . . . . 7 P CG . 16363 1 43 . 1 1 8 8 SER H H 1 8.203 . . 1 . . . . 8 S HN . 16363 1 44 . 1 1 8 8 SER HA H 1 4.337 . . 1 . . . . 8 S HA . 16363 1 45 . 1 1 8 8 SER HB2 H 1 3.861 . . 2 . . . . 8 S HB2 . 16363 1 46 . 1 1 8 8 SER HB3 H 1 3.971 . . 2 . . . . 8 S HB3 . 16363 1 47 . 1 1 8 8 SER C C 13 175.403 . . 1 . . . . 8 S C . 16363 1 48 . 1 1 8 8 SER CA C 13 59.811 . . 1 . . . . 8 S CA . 16363 1 49 . 1 1 8 8 SER CB C 13 63.209 . . 1 . . . . 8 S CB . 16363 1 50 . 1 1 8 8 SER N N 15 114.190 . . 1 . . . . 8 S N . 16363 1 51 . 1 1 9 9 ALA H H 1 8.033 . . 1 . . . . 9 A HN . 16363 1 52 . 1 1 9 9 ALA HA H 1 4.267 . . 1 . . . . 9 A HA . 16363 1 53 . 1 1 9 9 ALA HB1 H 1 1.448 . . . . . . . 9 A QB . 16363 1 54 . 1 1 9 9 ALA HB2 H 1 1.448 . . . . . . . 9 A QB . 16363 1 55 . 1 1 9 9 ALA HB3 H 1 1.448 . . . . . . . 9 A QB . 16363 1 56 . 1 1 9 9 ALA C C 13 179.553 . . 1 . . . . 9 A C . 16363 1 57 . 1 1 9 9 ALA CA C 13 54.680 . . 1 . . . . 9 A CA . 16363 1 58 . 1 1 9 9 ALA CB C 13 18.772 . . 1 . . . . 9 A CB . 16363 1 59 . 1 1 9 9 ALA N N 15 125.871 . . 1 . . . . 9 A N . 16363 1 60 . 1 1 10 10 LEU H H 1 8.076 . . 1 . . . . 10 L HN . 16363 1 61 . 1 1 10 10 LEU HA H 1 4.037 . . 1 . . . . 10 L HA . 16363 1 62 . 1 1 10 10 LEU HB2 H 1 1.565 . . 2 . . . . 10 L HB2 . 16363 1 63 . 1 1 10 10 LEU HB3 H 1 1.769 . . 2 . . . . 10 L HB3 . 16363 1 64 . 1 1 10 10 LEU HD11 H 1 0.908 . . . . . . . 10 L QQD . 16363 1 65 . 1 1 10 10 LEU HD12 H 1 0.908 . . . . . . . 10 L QQD . 16363 1 66 . 1 1 10 10 LEU HD13 H 1 0.908 . . . . . . . 10 L QQD . 16363 1 67 . 1 1 10 10 LEU HD21 H 1 0.908 . . . . . . . 10 L QQD . 16363 1 68 . 1 1 10 10 LEU HD22 H 1 0.908 . . . . . . . 10 L QQD . 16363 1 69 . 1 1 10 10 LEU HD23 H 1 0.908 . . . . . . . 10 L QQD . 16363 1 70 . 1 1 10 10 LEU HG H 1 1.592 . . 1 . . . . 10 L HG . 16363 1 71 . 1 1 10 10 LEU C C 13 178.210 . . 1 . . . . 10 L C . 16363 1 72 . 1 1 10 10 LEU CA C 13 57.900 . . 1 . . . . 10 L CA . 16363 1 73 . 1 1 10 10 LEU CB C 13 41.543 . . 1 . . . . 10 L CB . 16363 1 74 . 1 1 10 10 LEU CD1 C 13 25.172 . . 2 . . . . 10 L CD1 . 16363 1 75 . 1 1 10 10 LEU CD2 C 13 23.881 . . 2 . . . . 10 L CD2 . 16363 1 76 . 1 1 10 10 LEU CG C 13 26.956 . . 1 . . . . 10 L CG . 16363 1 77 . 1 1 10 10 LEU N N 15 118.686 . . 1 . . . . 10 L N . 16363 1 78 . 1 1 11 11 GLN H H 1 7.976 . . 1 . . . . 11 Q HN . 16363 1 79 . 1 1 11 11 GLN HA H 1 3.951 . . 1 . . . . 11 Q HA . 16363 1 80 . 1 1 11 11 GLN HB2 H 1 2.140 . . 2 . . . . 11 Q HB2 . 16363 1 81 . 1 1 11 11 GLN HB3 H 1 2.147 . . 2 . . . . 11 Q HB3 . 16363 1 82 . 1 1 11 11 GLN HG2 H 1 2.422 . . 2 . . . . 11 Q QG . 16363 1 83 . 1 1 11 11 GLN HG3 H 1 2.422 . . 2 . . . . 11 Q QG . 16363 1 84 . 1 1 11 11 GLN C C 13 178.566 . . 1 . . . . 11 Q C . 16363 1 85 . 1 1 11 11 GLN CA C 13 59.113 . . 1 . . . . 11 Q CA . 16363 1 86 . 1 1 11 11 GLN CB C 13 28.186 . . 1 . . . . 11 Q CB . 16363 1 87 . 1 1 11 11 GLN CG C 13 33.906 . . 1 . . . . 11 Q CG . 16363 1 88 . 1 1 11 11 GLN N N 15 117.449 . . 1 . . . . 11 Q N . 16363 1 89 . 1 1 12 12 ASP H H 1 8.092 . . 1 . . . . 12 D HN . 16363 1 90 . 1 1 12 12 ASP HA H 1 4.419 . . 1 . . . . 12 D HA . 16363 1 91 . 1 1 12 12 ASP HB2 H 1 2.650 . . 2 . . . . 12 D HB2 . 16363 1 92 . 1 1 12 12 ASP HB3 H 1 2.790 . . 2 . . . . 12 D HB3 . 16363 1 93 . 1 1 12 12 ASP C C 13 178.862 . . 1 . . . . 12 D C . 16363 1 94 . 1 1 12 12 ASP CA C 13 57.299 . . 1 . . . . 12 D CA . 16363 1 95 . 1 1 12 12 ASP CB C 13 40.554 . . 1 . . . . 12 D CB . 16363 1 96 . 1 1 12 12 ASP N N 15 120.115 . . 1 . . . . 12 D N . 16363 1 97 . 1 1 13 13 LEU H H 1 8.172 . . 1 . . . . 13 L HN . 16363 1 98 . 1 1 13 13 LEU HA H 1 4.031 . . 1 . . . . 13 L HA . 16363 1 99 . 1 1 13 13 LEU HB2 H 1 1.739 . . 2 . . . . 13 L HB2 . 16363 1 100 . 1 1 13 13 LEU HB3 H 1 1.934 . . 2 . . . . 13 L HB3 . 16363 1 101 . 1 1 13 13 LEU HD11 H 1 0.847 . . . . . . . 13 L QQD . 16363 1 102 . 1 1 13 13 LEU HD12 H 1 0.847 . . . . . . . 13 L QQD . 16363 1 103 . 1 1 13 13 LEU HD13 H 1 0.847 . . . . . . . 13 L QQD . 16363 1 104 . 1 1 13 13 LEU HD21 H 1 0.847 . . . . . . . 13 L QQD . 16363 1 105 . 1 1 13 13 LEU HD22 H 1 0.847 . . . . . . . 13 L QQD . 16363 1 106 . 1 1 13 13 LEU HD23 H 1 0.847 . . . . . . . 13 L QQD . 16363 1 107 . 1 1 13 13 LEU HG H 1 1.628 . . 1 . . . . 13 L HG . 16363 1 108 . 1 1 13 13 LEU C C 13 178.572 . . 1 . . . . 13 L C . 16363 1 109 . 1 1 13 13 LEU CA C 13 58.291 . . 1 . . . . 13 L CA . 16363 1 110 . 1 1 13 13 LEU CB C 13 41.737 . . 1 . . . . 13 L CB . 16363 1 111 . 1 1 13 13 LEU CD1 C 13 24.527 . . 2 . . . . 13 L CD1 . 16363 1 112 . 1 1 13 13 LEU CD2 C 13 25.509 . . 2 . . . . 13 L CD2 . 16363 1 113 . 1 1 13 13 LEU CG C 13 27.072 . . 1 . . . . 13 L CG . 16363 1 114 . 1 1 13 13 LEU N N 15 122.592 . . 1 . . . . 13 L N . 16363 1 115 . 1 1 14 14 LEU H H 1 8.406 . . 1 . . . . 14 L HN . 16363 1 116 . 1 1 14 14 LEU HA H 1 3.962 . . 1 . . . . 14 L HA . 16363 1 117 . 1 1 14 14 LEU HB2 H 1 1.519 . . 2 . . . . 14 L HB2 . 16363 1 118 . 1 1 14 14 LEU HB3 H 1 1.848 . . 2 . . . . 14 L HB3 . 16363 1 119 . 1 1 14 14 LEU HD11 H 1 0.845 . . . . . . . 14 L QD1 . 16363 1 120 . 1 1 14 14 LEU HD12 H 1 0.845 . . . . . . . 14 L QD1 . 16363 1 121 . 1 1 14 14 LEU HD13 H 1 0.845 . . . . . . . 14 L QD1 . 16363 1 122 . 1 1 14 14 LEU HD21 H 1 0.845 . . . . . . . 14 L QD2 . 16363 1 123 . 1 1 14 14 LEU HD22 H 1 0.845 . . . . . . . 14 L QD2 . 16363 1 124 . 1 1 14 14 LEU HD23 H 1 0.845 . . . . . . . 14 L QD2 . 16363 1 125 . 1 1 14 14 LEU HG H 1 1.828 . . 1 . . . . 14 L HG . 16363 1 126 . 1 1 14 14 LEU C C 13 179.281 . . 1 . . . . 14 L C . 16363 1 127 . 1 1 14 14 LEU CA C 13 58.131 . . 1 . . . . 14 L CA . 16363 1 128 . 1 1 14 14 LEU CB C 13 41.202 . . 1 . . . . 14 L CB . 16363 1 129 . 1 1 14 14 LEU CD1 C 13 25.240 . . 2 . . . . 14 L CD1 . 16363 1 130 . 1 1 14 14 LEU CD2 C 13 22.884 . . 2 . . . . 14 L CD2 . 16363 1 131 . 1 1 14 14 LEU CG C 13 26.674 . . 1 . . . . 14 L CG . 16363 1 132 . 1 1 14 14 LEU N N 15 118.564 . . 1 . . . . 14 L N . 16363 1 133 . 1 1 15 15 ARG H H 1 8.020 . . 1 . . . . 15 R HN . 16363 1 134 . 1 1 15 15 ARG HA H 1 4.025 . . 1 . . . . 15 R HA . 16363 1 135 . 1 1 15 15 ARG HB2 H 1 1.963 . . 2 . . . . 15 R HB2 . 16363 1 136 . 1 1 15 15 ARG HB3 H 1 1.964 . . 2 . . . . 15 R HB3 . 16363 1 137 . 1 1 15 15 ARG HD2 H 1 3.229 . . 2 . . . . 15 R HD2 . 16363 1 138 . 1 1 15 15 ARG HD3 H 1 3.230 . . 2 . . . . 15 R HD3 . 16363 1 139 . 1 1 15 15 ARG HG2 H 1 1.616 . . 2 . . . . 15 R HG2 . 16363 1 140 . 1 1 15 15 ARG HG3 H 1 1.766 . . 2 . . . . 15 R HG3 . 16363 1 141 . 1 1 15 15 ARG C C 13 178.998 . . 1 . . . . 15 R C . 16363 1 142 . 1 1 15 15 ARG CA C 13 59.369 . . 1 . . . . 15 R CA . 16363 1 143 . 1 1 15 15 ARG CB C 13 30.210 . . 1 . . . . 15 R CB . 16363 1 144 . 1 1 15 15 ARG CD C 13 43.130 . . 1 . . . . 15 R CD . 16363 1 145 . 1 1 15 15 ARG CG C 13 27.505 . . 1 . . . . 15 R CG . 16363 1 146 . 1 1 15 15 ARG N N 15 118.339 . . 1 . . . . 15 R N . 16363 1 147 . 1 1 16 16 THR H H 1 7.899 . . 1 . . . . 16 T HN . 16363 1 148 . 1 1 16 16 THR HA H 1 4.038 . . 1 . . . . 16 T HA . 16363 1 149 . 1 1 16 16 THR HB H 1 4.304 . . 1 . . . . 16 T HB . 16363 1 150 . 1 1 16 16 THR HG21 H 1 1.264 . . . . . . . 16 T QG2 . 16363 1 151 . 1 1 16 16 THR HG22 H 1 1.264 . . . . . . . 16 T QG2 . 16363 1 152 . 1 1 16 16 THR HG23 H 1 1.264 . . . . . . . 16 T QG2 . 16363 1 153 . 1 1 16 16 THR C C 13 176.202 . . 1 . . . . 16 T C . 16363 1 154 . 1 1 16 16 THR CA C 13 65.839 . . 1 . . . . 16 T CA . 16363 1 155 . 1 1 16 16 THR CB C 13 68.909 . . 1 . . . . 16 T CB . 16363 1 156 . 1 1 16 16 THR CG2 C 13 22.438 . . 1 . . . . 16 T CG2 . 16363 1 157 . 1 1 16 16 THR N N 15 115.392 . . 1 . . . . 16 T N . 16363 1 158 . 1 1 17 17 LEU H H 1 8.071 . . 1 . . . . 17 L HN . 16363 1 159 . 1 1 17 17 LEU HA H 1 4.087 . . 1 . . . . 17 L HA . 16363 1 160 . 1 1 17 17 LEU HB2 H 1 1.591 . . 2 . . . . 17 L HB2 . 16363 1 161 . 1 1 17 17 LEU HB3 H 1 1.834 . . 2 . . . . 17 L HB3 . 16363 1 162 . 1 1 17 17 LEU HD11 H 1 0.825 . . . . . . . 17 L QQD . 16363 1 163 . 1 1 17 17 LEU HD12 H 1 0.825 . . . . . . . 17 L QQD . 16363 1 164 . 1 1 17 17 LEU HD13 H 1 0.825 . . . . . . . 17 L QQD . 16363 1 165 . 1 1 17 17 LEU HD21 H 1 0.825 . . . . . . . 17 L QQD . 16363 1 166 . 1 1 17 17 LEU HD22 H 1 0.825 . . . . . . . 17 L QQD . 16363 1 167 . 1 1 17 17 LEU HD23 H 1 0.825 . . . . . . . 17 L QQD . 16363 1 168 . 1 1 17 17 LEU HG H 1 1.817 . . 1 . . . . 17 L HG . 16363 1 169 . 1 1 17 17 LEU C C 13 177.172 . . 1 . . . . 17 L C . 16363 1 170 . 1 1 17 17 LEU CA C 13 56.711 . . 1 . . . . 17 L CA . 16363 1 171 . 1 1 17 17 LEU CB C 13 41.983 . . 1 . . . . 17 L CB . 16363 1 172 . 1 1 17 17 LEU CD1 C 13 23.529 . . 2 . . . . 17 L CD1 . 16363 1 173 . 1 1 17 17 LEU CD2 C 13 25.773 . . 2 . . . . 17 L CD2 . 16363 1 174 . 1 1 17 17 LEU CG C 13 26.707 . . 1 . . . . 17 L CG . 16363 1 175 . 1 1 17 17 LEU N N 15 121.323 . . 1 . . . . 17 L N . 16363 1 176 . 1 1 18 18 LYS H H 1 7.575 . . 1 . . . . 18 K HN . 16363 1 177 . 1 1 18 18 LYS HA H 1 4.262 . . 1 . . . . 18 K HA . 16363 1 178 . 1 1 18 18 LYS HB2 H 1 1.851 . . 2 . . . . 18 K HB2 . 16363 1 179 . 1 1 18 18 LYS HB3 H 1 1.947 . . 2 . . . . 18 K HB3 . 16363 1 180 . 1 1 18 18 LYS HD2 H 1 1.653 . . 2 . . . . 18 K HD2 . 16363 1 181 . 1 1 18 18 LYS HD3 H 1 1.656 . . 2 . . . . 18 K HD3 . 16363 1 182 . 1 1 18 18 LYS HE2 H 1 2.948 . . 2 . . . . 18 K HE2 . 16363 1 183 . 1 1 18 18 LYS HE3 H 1 2.949 . . 2 . . . . 18 K HE3 . 16363 1 184 . 1 1 18 18 LYS HG2 H 1 1.450 . . 2 . . . . 18 K HG2 . 16363 1 185 . 1 1 18 18 LYS HG3 H 1 1.574 . . 2 . . . . 18 K HG3 . 16363 1 186 . 1 1 18 18 LYS C C 13 176.743 . . 1 . . . . 18 K C . 16363 1 187 . 1 1 18 18 LYS CA C 13 56.837 . . 1 . . . . 18 K CA . 16363 1 188 . 1 1 18 18 LYS CB C 13 33.087 . . 1 . . . . 18 K CB . 16363 1 189 . 1 1 18 18 LYS CD C 13 29.329 . . 1 . . . . 18 K CD . 16363 1 190 . 1 1 18 18 LYS CE C 13 41.931 . . 1 . . . . 18 K CE . 16363 1 191 . 1 1 18 18 LYS CG C 13 25.160 . . 1 . . . . 18 K CG . 16363 1 192 . 1 1 18 18 LYS N N 15 117.460 . . 1 . . . . 18 K N . 16363 1 193 . 1 1 19 19 SER H H 1 7.644 . . 1 . . . . 19 S HN . 16363 1 194 . 1 1 19 19 SER HA H 1 3.926 . . 1 . . . . 19 S HA . 16363 1 195 . 1 1 19 19 SER CA C 13 57.069 . . 1 . . . . 19 S CA . 16363 1 196 . 1 1 19 19 SER CB C 13 63.212 . . 1 . . . . 19 S CB . 16363 1 197 . 1 1 19 19 SER N N 15 116.345 . . 1 . . . . 19 S N . 16363 1 198 . 1 1 20 20 PRO HA H 1 4.456 . . 1 . . . . 20 P HA . 16363 1 199 . 1 1 20 20 PRO HB2 H 1 1.894 . . 2 . . . . 20 P HB2 . 16363 1 200 . 1 1 20 20 PRO HB3 H 1 2.302 . . 2 . . . . 20 P HB3 . 16363 1 201 . 1 1 20 20 PRO HG2 H 1 1.929 . . 2 . . . . 20 P HG2 . 16363 1 202 . 1 1 20 20 PRO HG3 H 1 2.064 . . 2 . . . . 20 P HG3 . 16363 1 203 . 1 1 20 20 PRO C C 13 176.918 . . 1 . . . . 20 P C . 16363 1 204 . 1 1 20 20 PRO CA C 13 63.393 . . 1 . . . . 20 P CA . 16363 1 205 . 1 1 20 20 PRO CB C 13 32.046 . . 1 . . . . 20 P CB . 16363 1 206 . 1 1 20 20 PRO CG C 13 27.667 . . 1 . . . . 20 P CG . 16363 1 207 . 1 1 21 21 SER H H 1 8.434 . . 1 . . . . 21 S HN . 16363 1 208 . 1 1 21 21 SER HA H 1 4.401 . . 1 . . . . 21 S HA . 16363 1 209 . 1 1 21 21 SER HB2 H 1 3.861 . . 2 . . . . 21 S HB2 . 16363 1 210 . 1 1 21 21 SER HB3 H 1 3.881 . . 2 . . . . 21 S HB3 . 16363 1 211 . 1 1 21 21 SER CA C 13 58.926 . . 1 . . . . 21 S CA . 16363 1 212 . 1 1 21 21 SER CB C 13 63.809 . . 1 . . . . 21 S CB . 16363 1 213 . 1 1 21 21 SER N N 15 116.335 . . 1 . . . . 21 S N . 16363 1 214 . 1 1 23 23 PRO HA H 1 4.387 . . 1 . . . . 23 P HA . 16363 1 215 . 1 1 23 23 PRO HB2 H 1 1.956 . . 2 . . . . 23 P HB2 . 16363 1 216 . 1 1 23 23 PRO HB3 H 1 2.454 . . 2 . . . . 23 P HB3 . 16363 1 217 . 1 1 23 23 PRO HG2 H 1 1.653 . . 2 . . . . 23 P QG . 16363 1 218 . 1 1 23 23 PRO HG3 H 1 1.653 . . 2 . . . . 23 P QG . 16363 1 219 . 1 1 23 23 PRO C C 13 178.939 . . 1 . . . . 23 P C . 16363 1 220 . 1 1 23 23 PRO CA C 13 65.418 . . 1 . . . . 23 P CA . 16363 1 221 . 1 1 23 23 PRO CB C 13 31.886 . . 1 . . . . 23 P CB . 16363 1 222 . 1 1 23 23 PRO CG C 13 27.919 . . 1 . . . . 23 P CG . 16363 1 223 . 1 1 24 24 GLN H H 1 8.303 . . 1 . . . . 24 Q HN . 16363 1 224 . 1 1 24 24 GLN HA H 1 4.135 . . 1 . . . . 24 Q HA . 16363 1 225 . 1 1 24 24 GLN HB2 H 1 2.467 . . 2 . . . . 24 Q QB . 16363 1 226 . 1 1 24 24 GLN HB3 H 1 2.467 . . 2 . . . . 24 Q QB . 16363 1 227 . 1 1 24 24 GLN C C 13 178.117 . . 1 . . . . 24 Q C . 16363 1 228 . 1 1 24 24 GLN CA C 13 59.097 . . 1 . . . . 24 Q CA . 16363 1 229 . 1 1 24 24 GLN CB C 13 28.196 . . 1 . . . . 24 Q CB . 16363 1 230 . 1 1 24 24 GLN CG C 13 34.237 . . 1 . . . . 24 Q CG . 16363 1 231 . 1 1 24 24 GLN N N 15 117.253 . . 1 . . . . 24 Q N . 16363 1 232 . 1 1 25 25 GLN H H 1 7.966 . . 1 . . . . 25 Q HN . 16363 1 233 . 1 1 25 25 GLN HA H 1 4.100 . . 1 . . . . 25 Q HA . 16363 1 234 . 1 1 25 25 GLN HB2 H 1 2.247 . . 2 . . . . 25 Q QB . 16363 1 235 . 1 1 25 25 GLN HB3 H 1 2.247 . . 2 . . . . 25 Q QB . 16363 1 236 . 1 1 25 25 GLN HG2 H 1 2.461 . . 2 . . . . 25 Q QG . 16363 1 237 . 1 1 25 25 GLN HG3 H 1 2.461 . . 2 . . . . 25 Q QG . 16363 1 238 . 1 1 25 25 GLN C C 13 178.001 . . 1 . . . . 25 Q C . 16363 1 239 . 1 1 25 25 GLN CA C 13 59.022 . . 1 . . . . 25 Q CA . 16363 1 240 . 1 1 25 25 GLN CB C 13 28.324 . . 1 . . . . 25 Q CB . 16363 1 241 . 1 1 25 25 GLN CG C 13 33.661 . . 1 . . . . 25 Q CG . 16363 1 242 . 1 1 25 25 GLN N N 15 122.143 . . 1 . . . . 25 Q N . 16363 1 243 . 1 1 26 26 GLN H H 1 8.226 . . 1 . . . . 26 Q HN . 16363 1 244 . 1 1 26 26 GLN HA H 1 3.830 . . 1 . . . . 26 Q HA . 16363 1 245 . 1 1 26 26 GLN HB2 H 1 2.298 . . 2 . . . . 26 Q QB . 16363 1 246 . 1 1 26 26 GLN HB3 H 1 2.298 . . 2 . . . . 26 Q QB . 16363 1 247 . 1 1 26 26 GLN HG2 H 1 2.495 . . 2 . . . . 26 Q QG . 16363 1 248 . 1 1 26 26 GLN HG3 H 1 2.495 . . 2 . . . . 26 Q QG . 16363 1 249 . 1 1 26 26 GLN C C 13 177.975 . . 1 . . . . 26 Q C . 16363 1 250 . 1 1 26 26 GLN CA C 13 59.130 . . 1 . . . . 26 Q CA . 16363 1 251 . 1 1 26 26 GLN CB C 13 28.452 . . 1 . . . . 26 Q CB . 16363 1 252 . 1 1 26 26 GLN CG C 13 34.282 . . 1 . . . . 26 Q CG . 16363 1 253 . 1 1 26 26 GLN N N 15 118.781 . . 1 . . . . 26 Q N . 16363 1 254 . 1 1 27 27 GLN H H 1 8.016 . . 1 . . . . 27 Q HN . 16363 1 255 . 1 1 27 27 GLN HA H 1 3.983 . . 1 . . . . 27 Q HA . 16363 1 256 . 1 1 27 27 GLN C C 13 177.851 . . 1 . . . . 27 Q C . 16363 1 257 . 1 1 27 27 GLN CA C 13 58.403 . . 1 . . . . 27 Q CA . 16363 1 258 . 1 1 27 27 GLN CB C 13 28.483 . . 1 . . . . 27 Q CB . 16363 1 259 . 1 1 27 27 GLN CG C 13 33.923 . . 1 . . . . 27 Q CG . 16363 1 260 . 1 1 27 27 GLN N N 15 118.129 . . 1 . . . . 27 Q N . 16363 1 261 . 1 1 28 28 GLN H H 1 7.965 . . 1 . . . . 28 Q HN . 16363 1 262 . 1 1 28 28 GLN HA H 1 4.127 . . 1 . . . . 28 Q HA . 16363 1 263 . 1 1 28 28 GLN C C 13 178.686 . . 1 . . . . 28 Q C . 16363 1 264 . 1 1 28 28 GLN CA C 13 58.992 . . 1 . . . . 28 Q CA . 16363 1 265 . 1 1 28 28 GLN CB C 13 28.486 . . 1 . . . . 28 Q CB . 16363 1 266 . 1 1 28 28 GLN N N 15 119.386 . . 1 . . . . 28 Q N . 16363 1 267 . 1 1 29 29 VAL H H 1 7.983 . . 1 . . . . 29 V HN . 16363 1 268 . 1 1 29 29 VAL HA H 1 3.513 . . 1 . . . . 29 V HA . 16363 1 269 . 1 1 29 29 VAL HB H 1 2.152 . . 1 . . . . 29 V HB . 16363 1 270 . 1 1 29 29 VAL HG11 H 1 0.749 . . . . . . . 29 V QG1 . 16363 1 271 . 1 1 29 29 VAL HG12 H 1 0.749 . . . . . . . 29 V QG1 . 16363 1 272 . 1 1 29 29 VAL HG13 H 1 0.749 . . . . . . . 29 V QG1 . 16363 1 273 . 1 1 29 29 VAL HG21 H 1 0.987 . . . . . . . 29 V QG2 . 16363 1 274 . 1 1 29 29 VAL HG22 H 1 0.987 . . . . . . . 29 V QG2 . 16363 1 275 . 1 1 29 29 VAL HG23 H 1 0.987 . . . . . . . 29 V QG2 . 16363 1 276 . 1 1 29 29 VAL C C 13 177.391 . . 1 . . . . 29 V C . 16363 1 277 . 1 1 29 29 VAL CA C 13 66.892 . . 1 . . . . 29 V CA . 16363 1 278 . 1 1 29 29 VAL CB C 13 31.491 . . 1 . . . . 29 V CB . 16363 1 279 . 1 1 29 29 VAL CG1 C 13 21.579 . . 2 . . . . 29 V CG1 . 16363 1 280 . 1 1 29 29 VAL CG2 C 13 23.351 . . 2 . . . . 29 V CG2 . 16363 1 281 . 1 1 29 29 VAL N N 15 119.339 . . 1 . . . . 29 V N . 16363 1 282 . 1 1 30 30 LEU H H 1 7.973 . . 1 . . . . 30 L HN . 16363 1 283 . 1 1 30 30 LEU HA H 1 3.883 . . 1 . . . . 30 L HA . 16363 1 284 . 1 1 30 30 LEU HB2 H 1 1.556 . . 2 . . . . 30 L HB2 . 16363 1 285 . 1 1 30 30 LEU HB3 H 1 1.802 . . 2 . . . . 30 L HB3 . 16363 1 286 . 1 1 30 30 LEU HD11 H 1 0.866 . . . . . . . 30 L QQD . 16363 1 287 . 1 1 30 30 LEU HD12 H 1 0.866 . . . . . . . 30 L QQD . 16363 1 288 . 1 1 30 30 LEU HD13 H 1 0.866 . . . . . . . 30 L QQD . 16363 1 289 . 1 1 30 30 LEU HD21 H 1 0.866 . . . . . . . 30 L QQD . 16363 1 290 . 1 1 30 30 LEU HD22 H 1 0.866 . . . . . . . 30 L QQD . 16363 1 291 . 1 1 30 30 LEU HD23 H 1 0.866 . . . . . . . 30 L QQD . 16363 1 292 . 1 1 30 30 LEU HG H 1 1.707 . . 1 . . . . 30 L HG . 16363 1 293 . 1 1 30 30 LEU C C 13 178.750 . . 1 . . . . 30 L C . 16363 1 294 . 1 1 30 30 LEU CA C 13 58.212 . . 1 . . . . 30 L CA . 16363 1 295 . 1 1 30 30 LEU CB C 13 41.305 . . 1 . . . . 30 L CB . 16363 1 296 . 1 1 30 30 LEU CG C 13 27.069 . . 1 . . . . 30 L CG . 16363 1 297 . 1 1 30 30 LEU N N 15 119.408 . . 1 . . . . 30 L N . 16363 1 298 . 1 1 31 31 ASN H H 1 8.247 . . 1 . . . . 31 N HN . 16363 1 299 . 1 1 31 31 ASN HA H 1 4.411 . . 1 . . . . 31 N HA . 16363 1 300 . 1 1 31 31 ASN HB2 H 1 2.835 . . 2 . . . . 31 N HB2 . 16363 1 301 . 1 1 31 31 ASN HB3 H 1 2.921 . . 2 . . . . 31 N HB3 . 16363 1 302 . 1 1 31 31 ASN C C 13 178.311 . . 1 . . . . 31 N C . 16363 1 303 . 1 1 31 31 ASN CA C 13 55.819 . . 1 . . . . 31 N CA . 16363 1 304 . 1 1 31 31 ASN CB C 13 37.945 . . 1 . . . . 31 N CB . 16363 1 305 . 1 1 31 31 ASN N N 15 117.288 . . 1 . . . . 31 N N . 16363 1 306 . 1 1 32 32 ILE H H 1 7.946 . . 1 . . . . 32 I HN . 16363 1 307 . 1 1 32 32 ILE HA H 1 3.758 . . 1 . . . . 32 I HA . 16363 1 308 . 1 1 32 32 ILE HB H 1 1.942 . . 1 . . . . 32 I HB . 16363 1 309 . 1 1 32 32 ILE HD11 H 1 0.776 . . . . . . . 32 I QD1 . 16363 1 310 . 1 1 32 32 ILE HD12 H 1 0.776 . . . . . . . 32 I QD1 . 16363 1 311 . 1 1 32 32 ILE HD13 H 1 0.776 . . . . . . . 32 I QD1 . 16363 1 312 . 1 1 32 32 ILE HG12 H 1 1.082 . . 2 . . . . 32 I HG12 . 16363 1 313 . 1 1 32 32 ILE HG13 H 1 1.818 . . 2 . . . . 32 I HG13 . 16363 1 314 . 1 1 32 32 ILE HG21 H 1 0.854 . . . . . . . 32 I QG2 . 16363 1 315 . 1 1 32 32 ILE HG22 H 1 0.854 . . . . . . . 32 I QG2 . 16363 1 316 . 1 1 32 32 ILE HG23 H 1 0.854 . . . . . . . 32 I QG2 . 16363 1 317 . 1 1 32 32 ILE C C 13 178.620 . . 1 . . . . 32 I C . 16363 1 318 . 1 1 32 32 ILE CA C 13 65.147 . . 1 . . . . 32 I CA . 16363 1 319 . 1 1 32 32 ILE CB C 13 38.137 . . 1 . . . . 32 I CB . 16363 1 320 . 1 1 32 32 ILE CD1 C 13 14.080 . . 1 . . . . 32 I CD1 . 16363 1 321 . 1 1 32 32 ILE CG1 C 13 28.994 . . 1 . . . . 32 I CG1 . 16363 1 322 . 1 1 32 32 ILE CG2 C 13 17.736 . . 1 . . . . 32 I CG2 . 16363 1 323 . 1 1 32 32 ILE N N 15 122.111 . . 1 . . . . 32 I N . 16363 1 324 . 1 1 33 33 LEU H H 1 8.094 . . 1 . . . . 33 L HN . 16363 1 325 . 1 1 33 33 LEU HA H 1 3.930 . . 1 . . . . 33 L HA . 16363 1 326 . 1 1 33 33 LEU HB2 H 1 1.414 . . 2 . . . . 33 L HB2 . 16363 1 327 . 1 1 33 33 LEU HB3 H 1 1.799 . . 2 . . . . 33 L HB3 . 16363 1 328 . 1 1 33 33 LEU HD11 H 1 0.529 . . . . . . . 33 L QD1 . 16363 1 329 . 1 1 33 33 LEU HD12 H 1 0.529 . . . . . . . 33 L QD1 . 16363 1 330 . 1 1 33 33 LEU HD13 H 1 0.529 . . . . . . . 33 L QD1 . 16363 1 331 . 1 1 33 33 LEU HD21 H 1 0.618 . . . . . . . 33 L QD2 . 16363 1 332 . 1 1 33 33 LEU HD22 H 1 0.618 . . . . . . . 33 L QD2 . 16363 1 333 . 1 1 33 33 LEU HD23 H 1 0.618 . . . . . . . 33 L QD2 . 16363 1 334 . 1 1 33 33 LEU HG H 1 1.751 . . 1 . . . . 33 L HG . 16363 1 335 . 1 1 33 33 LEU C C 13 178.479 . . 1 . . . . 33 L C . 16363 1 336 . 1 1 33 33 LEU CA C 13 57.876 . . 1 . . . . 33 L CA . 16363 1 337 . 1 1 33 33 LEU CB C 13 41.432 . . 1 . . . . 33 L CB . 16363 1 338 . 1 1 33 33 LEU CD1 C 13 25.343 . . 2 . . . . 33 L CD1 . 16363 1 339 . 1 1 33 33 LEU CD2 C 13 22.482 . . 2 . . . . 33 L CD2 . 16363 1 340 . 1 1 33 33 LEU CG C 13 26.641 . . 1 . . . . 33 L CG . 16363 1 341 . 1 1 33 33 LEU N N 15 120.046 . . 1 . . . . 33 L N . 16363 1 342 . 1 1 34 34 LYS H H 1 8.235 . . 1 . . . . 34 K HN . 16363 1 343 . 1 1 34 34 LYS HA H 1 3.995 . . 1 . . . . 34 K HA . 16363 1 344 . 1 1 34 34 LYS HB2 H 1 1.875 . . 2 . . . . 34 K HB2 . 16363 1 345 . 1 1 34 34 LYS HB3 H 1 1.883 . . 2 . . . . 34 K HB3 . 16363 1 346 . 1 1 34 34 LYS HD2 H 1 1.665 . . 2 . . . . 34 K QD . 16363 1 347 . 1 1 34 34 LYS HD3 H 1 1.665 . . 2 . . . . 34 K QD . 16363 1 348 . 1 1 34 34 LYS HE2 H 1 2.915 . . 2 . . . . 34 K QE . 16363 1 349 . 1 1 34 34 LYS HE3 H 1 2.915 . . 2 . . . . 34 K QE . 16363 1 350 . 1 1 34 34 LYS HG2 H 1 1.461 . . 2 . . . . 34 K HG2 . 16363 1 351 . 1 1 34 34 LYS HG3 H 1 1.538 . . 2 . . . . 34 K HG3 . 16363 1 352 . 1 1 34 34 LYS C C 13 178.041 . . 1 . . . . 34 K C . 16363 1 353 . 1 1 34 34 LYS CA C 13 58.833 . . 1 . . . . 34 K CA . 16363 1 354 . 1 1 34 34 LYS CB C 13 32.636 . . 1 . . . . 34 K CB . 16363 1 355 . 1 1 34 34 LYS CD C 13 29.357 . . 1 . . . . 34 K CD . 16363 1 356 . 1 1 34 34 LYS CE C 13 42.146 . . 1 . . . . 34 K CE . 16363 1 357 . 1 1 34 34 LYS CG C 13 24.965 . . 1 . . . . 34 K CG . 16363 1 358 . 1 1 34 34 LYS N N 15 116.750 . . 1 . . . . 34 K N . 16363 1 359 . 1 1 35 35 SER H H 1 7.560 . . 1 . . . . 35 S HN . 16363 1 360 . 1 1 35 35 SER HA H 1 4.432 . . 1 . . . . 35 S HA . 16363 1 361 . 1 1 35 35 SER HB2 H 1 3.966 . . 2 . . . . 35 S HB2 . 16363 1 362 . 1 1 35 35 SER HB3 H 1 3.972 . . 2 . . . . 35 S HB3 . 16363 1 363 . 1 1 35 35 SER C C 13 173.574 . . 1 . . . . 35 S C . 16363 1 364 . 1 1 35 35 SER CA C 13 59.525 . . 1 . . . . 35 S CA . 16363 1 365 . 1 1 35 35 SER CB C 13 64.295 . . 1 . . . . 35 S CB . 16363 1 366 . 1 1 35 35 SER N N 15 111.824 . . 1 . . . . 35 S N . 16363 1 367 . 1 1 36 36 ASN H H 1 7.606 . . 1 . . . . 36 N HN . 16363 1 368 . 1 1 36 36 ASN HA H 1 5.254 . . 1 . . . . 36 N HA . 16363 1 369 . 1 1 36 36 ASN HB2 H 1 2.720 . . 2 . . . . 36 N HB2 . 16363 1 370 . 1 1 36 36 ASN HB3 H 1 2.722 . . 2 . . . . 36 N HB3 . 16363 1 371 . 1 1 36 36 ASN CA C 13 51.487 . . 1 . . . . 36 N CA . 16363 1 372 . 1 1 36 36 ASN CB C 13 40.276 . . 1 . . . . 36 N CB . 16363 1 373 . 1 1 36 36 ASN N N 15 118.671 . . 1 . . . . 36 N N . 16363 1 374 . 1 1 37 37 PRO HA H 1 4.431 . . 1 . . . . 37 P HA . 16363 1 375 . 1 1 37 37 PRO HB3 H 1 2.406 . . 2 . . . . 37 P HB3 . 16363 1 376 . 1 1 37 37 PRO HD2 H 1 3.649 . . 2 . . . . 37 P HD2 . 16363 1 377 . 1 1 37 37 PRO HD3 H 1 3.821 . . 2 . . . . 37 P HD3 . 16363 1 378 . 1 1 37 37 PRO HG2 H 1 2.109 . . 2 . . . . 37 P QG . 16363 1 379 . 1 1 37 37 PRO HG3 H 1 2.109 . . 2 . . . . 37 P QG . 16363 1 380 . 1 1 37 37 PRO C C 13 178.838 . . 1 . . . . 37 P C . 16363 1 381 . 1 1 37 37 PRO CA C 13 65.257 . . 1 . . . . 37 P CA . 16363 1 382 . 1 1 37 37 PRO CB C 13 32.156 . . 1 . . . . 37 P CB . 16363 1 383 . 1 1 37 37 PRO CD C 13 50.722 . . 1 . . . . 37 P CD . 16363 1 384 . 1 1 37 37 PRO CG C 13 27.396 . . 1 . . . . 37 P CG . 16363 1 385 . 1 1 38 38 GLN H H 1 8.744 . . 1 . . . . 38 Q HN . 16363 1 386 . 1 1 38 38 GLN HA H 1 4.223 . . 1 . . . . 38 Q HA . 16363 1 387 . 1 1 38 38 GLN HB2 H 1 2.125 . . 2 . . . . 38 Q HB2 . 16363 1 388 . 1 1 38 38 GLN HB3 H 1 2.127 . . 2 . . . . 38 Q HB3 . 16363 1 389 . 1 1 38 38 GLN HG2 H 1 2.388 . . 2 . . . . 38 Q HG2 . 16363 1 390 . 1 1 38 38 GLN HG3 H 1 2.511 . . 2 . . . . 38 Q HG3 . 16363 1 391 . 1 1 38 38 GLN C C 13 178.432 . . 1 . . . . 38 Q C . 16363 1 392 . 1 1 38 38 GLN CA C 13 58.523 . . 1 . . . . 38 Q CA . 16363 1 393 . 1 1 38 38 GLN CB C 13 27.893 . . 1 . . . . 38 Q CB . 16363 1 394 . 1 1 38 38 GLN CG C 13 33.877 . . 1 . . . . 38 Q CG . 16363 1 395 . 1 1 38 38 GLN N N 15 118.335 . . 1 . . . . 38 Q N . 16363 1 396 . 1 1 39 39 LEU H H 1 7.857 . . 1 . . . . 39 L HN . 16363 1 397 . 1 1 39 39 LEU HA H 1 4.204 . . 1 . . . . 39 L HA . 16363 1 398 . 1 1 39 39 LEU HB2 H 1 1.654 . . 2 . . . . 39 L HB2 . 16363 1 399 . 1 1 39 39 LEU HB3 H 1 1.754 . . 2 . . . . 39 L HB3 . 16363 1 400 . 1 1 39 39 LEU HD11 H 1 0.806 . . . . . . . 39 L QD1 . 16363 1 401 . 1 1 39 39 LEU HD12 H 1 0.806 . . . . . . . 39 L QD1 . 16363 1 402 . 1 1 39 39 LEU HD13 H 1 0.806 . . . . . . . 39 L QD1 . 16363 1 403 . 1 1 39 39 LEU HD21 H 1 0.810 . . . . . . . 39 L QD2 . 16363 1 404 . 1 1 39 39 LEU HD22 H 1 0.810 . . . . . . . 39 L QD2 . 16363 1 405 . 1 1 39 39 LEU HD23 H 1 0.810 . . . . . . . 39 L QD2 . 16363 1 406 . 1 1 39 39 LEU HG H 1 1.597 . . 1 . . . . 39 L HG . 16363 1 407 . 1 1 39 39 LEU C C 13 178.207 . . 1 . . . . 39 L C . 16363 1 408 . 1 1 39 39 LEU CA C 13 56.959 . . 1 . . . . 39 L CA . 16363 1 409 . 1 1 39 39 LEU CB C 13 42.017 . . 1 . . . . 39 L CB . 16363 1 410 . 1 1 39 39 LEU CD1 C 13 25.128 . . 2 . . . . 39 L CD1 . 16363 1 411 . 1 1 39 39 LEU CD2 C 13 24.219 . . 2 . . . . 39 L CD2 . 16363 1 412 . 1 1 39 39 LEU CG C 13 27.024 . . 1 . . . . 39 L CG . 16363 1 413 . 1 1 39 39 LEU N N 15 121.296 . . 1 . . . . 39 L N . 16363 1 414 . 1 1 40 40 MET H H 1 7.964 . . 1 . . . . 40 M HN . 16363 1 415 . 1 1 40 40 MET HA H 1 4.209 . . 1 . . . . 40 M HA . 16363 1 416 . 1 1 40 40 MET HB2 H 1 2.163 . . 2 . . . . 40 M HB2 . 16363 1 417 . 1 1 40 40 MET HB3 H 1 2.163 . . 2 . . . . 40 M HB3 . 16363 1 418 . 1 1 40 40 MET HE1 H 1 1.983 . . . . . . . 40 M QE . 16363 1 419 . 1 1 40 40 MET HE2 H 1 1.983 . . . . . . . 40 M QE . 16363 1 420 . 1 1 40 40 MET HE3 H 1 1.983 . . . . . . . 40 M QE . 16363 1 421 . 1 1 40 40 MET HG2 H 1 2.534 . . 2 . . . . 40 M HG2 . 16363 1 422 . 1 1 40 40 MET HG3 H 1 2.535 . . 2 . . . . 40 M HG3 . 16363 1 423 . 1 1 40 40 MET C C 13 177.525 . . 1 . . . . 40 M C . 16363 1 424 . 1 1 40 40 MET CA C 13 58.239 . . 1 . . . . 40 M CA . 16363 1 425 . 1 1 40 40 MET CB C 13 31.933 . . 1 . . . . 40 M CB . 16363 1 426 . 1 1 40 40 MET CE C 13 17.615 . . 1 . . . . 40 M CE . 16363 1 427 . 1 1 40 40 MET CG C 13 32.471 . . 1 . . . . 40 M CG . 16363 1 428 . 1 1 40 40 MET N N 15 117.796 . . 1 . . . . 40 M N . 16363 1 429 . 1 1 41 41 ALA H H 1 7.958 . . 1 . . . . 41 A HN . 16363 1 430 . 1 1 41 41 ALA HA H 1 4.081 . . 1 . . . . 41 A HA . 16363 1 431 . 1 1 41 41 ALA HB1 H 1 1.492 . . . . . . . 41 A QB . 16363 1 432 . 1 1 41 41 ALA HB2 H 1 1.492 . . . . . . . 41 A QB . 16363 1 433 . 1 1 41 41 ALA HB3 H 1 1.492 . . . . . . . 41 A QB . 16363 1 434 . 1 1 41 41 ALA C C 13 179.456 . . 1 . . . . 41 A C . 16363 1 435 . 1 1 41 41 ALA CA C 13 55.029 . . 1 . . . . 41 A CA . 16363 1 436 . 1 1 41 41 ALA CB C 13 18.253 . . 1 . . . . 41 A CB . 16363 1 437 . 1 1 41 41 ALA N N 15 119.971 . . 1 . . . . 41 A N . 16363 1 438 . 1 1 42 42 ALA H H 1 7.629 . . 1 . . . . 42 A HN . 16363 1 439 . 1 1 42 42 ALA HA H 1 4.150 . . 1 . . . . 42 A HA . 16363 1 440 . 1 1 42 42 ALA HB1 H 1 1.440 . . . . . . . 42 A QB . 16363 1 441 . 1 1 42 42 ALA HB2 H 1 1.440 . . . . . . . 42 A QB . 16363 1 442 . 1 1 42 42 ALA HB3 H 1 1.440 . . . . . . . 42 A QB . 16363 1 443 . 1 1 42 42 ALA C C 13 179.252 . . 1 . . . . 42 A C . 16363 1 444 . 1 1 42 42 ALA CA C 13 54.547 . . 1 . . . . 42 A CA . 16363 1 445 . 1 1 42 42 ALA CB C 13 18.443 . . 1 . . . . 42 A CB . 16363 1 446 . 1 1 42 42 ALA N N 15 119.747 . . 1 . . . . 42 A N . 16363 1 447 . 1 1 43 43 PHE H H 1 8.174 . . 1 . . . . 43 F HN . 16363 1 448 . 1 1 43 43 PHE HA H 1 4.271 . . 1 . . . . 43 F HA . 16363 1 449 . 1 1 43 43 PHE HB2 H 1 3.067 . . 2 . . . . 43 F HB2 . 16363 1 450 . 1 1 43 43 PHE HB3 H 1 3.225 . . 2 . . . . 43 F HB3 . 16363 1 451 . 1 1 43 43 PHE HD1 H 1 7.142 . . 3 . . . . 43 F QD . 16363 1 452 . 1 1 43 43 PHE HD2 H 1 7.142 . . 3 . . . . 43 F QD . 16363 1 453 . 1 1 43 43 PHE HE1 H 1 7.133 . . 3 . . . . 43 F QE . 16363 1 454 . 1 1 43 43 PHE HE2 H 1 7.133 . . 3 . . . . 43 F QE . 16363 1 455 . 1 1 43 43 PHE C C 13 176.959 . . 1 . . . . 43 F C . 16363 1 456 . 1 1 43 43 PHE CA C 13 60.173 . . 1 . . . . 43 F CA . 16363 1 457 . 1 1 43 43 PHE CB C 13 39.752 . . 1 . . . . 43 F CB . 16363 1 458 . 1 1 43 43 PHE CD1 C 13 132.517 . . . . . . . 43 F CD* . 16363 1 459 . 1 1 43 43 PHE CD2 C 13 132.517 . . . . . . . 43 F CD* . 16363 1 460 . 1 1 43 43 PHE CE1 C 13 130.380 . . . . . . . 43 F CE* . 16363 1 461 . 1 1 43 43 PHE CE2 C 13 130.380 . . . . . . . 43 F CE* . 16363 1 462 . 1 1 43 43 PHE N N 15 118.300 . . 1 . . . . 43 F N . 16363 1 463 . 1 1 44 44 ILE H H 1 8.159 . . 1 . . . . 44 I HN . 16363 1 464 . 1 1 44 44 ILE HA H 1 3.740 . . 1 . . . . 44 I HA . 16363 1 465 . 1 1 44 44 ILE HB H 1 1.952 . . 1 . . . . 44 I HB . 16363 1 466 . 1 1 44 44 ILE HD11 H 1 0.832 . . . . . . . 44 I QD1 . 16363 1 467 . 1 1 44 44 ILE HD12 H 1 0.832 . . . . . . . 44 I QD1 . 16363 1 468 . 1 1 44 44 ILE HD13 H 1 0.832 . . . . . . . 44 I QD1 . 16363 1 469 . 1 1 44 44 ILE HG12 H 1 1.264 . . 2 . . . . 44 I HG12 . 16363 1 470 . 1 1 44 44 ILE HG13 H 1 1.670 . . 2 . . . . 44 I HG13 . 16363 1 471 . 1 1 44 44 ILE HG21 H 1 0.894 . . . . . . . 44 I QG2 . 16363 1 472 . 1 1 44 44 ILE HG22 H 1 0.894 . . . . . . . 44 I QG2 . 16363 1 473 . 1 1 44 44 ILE HG23 H 1 0.894 . . . . . . . 44 I QG2 . 16363 1 474 . 1 1 44 44 ILE C C 13 177.535 . . 1 . . . . 44 I C . 16363 1 475 . 1 1 44 44 ILE CA C 13 63.353 . . 1 . . . . 44 I CA . 16363 1 476 . 1 1 44 44 ILE CB C 13 38.134 . . 1 . . . . 44 I CB . 16363 1 477 . 1 1 44 44 ILE CD1 C 13 12.667 . . 1 . . . . 44 I CD1 . 16363 1 478 . 1 1 44 44 ILE CG1 C 13 28.209 . . 1 . . . . 44 I CG1 . 16363 1 479 . 1 1 44 44 ILE CG2 C 13 17.736 . . 1 . . . . 44 I CG2 . 16363 1 480 . 1 1 44 44 ILE N N 15 118.192 . . 1 . . . . 44 I N . 16363 1 481 . 1 1 45 45 LYS H H 1 7.918 . . 1 . . . . 45 K HN . 16363 1 482 . 1 1 45 45 LYS HA H 1 4.101 . . 1 . . . . 45 K HA . 16363 1 483 . 1 1 45 45 LYS HB2 H 1 1.868 . . 2 . . . . 45 K HB2 . 16363 1 484 . 1 1 45 45 LYS HB3 H 1 1.869 . . 2 . . . . 45 K HB3 . 16363 1 485 . 1 1 45 45 LYS HD2 H 1 1.668 . . 2 . . . . 45 K HD2 . 16363 1 486 . 1 1 45 45 LYS HE2 H 1 2.956 . . 2 . . . . 45 K HE2 . 16363 1 487 . 1 1 45 45 LYS HE3 H 1 2.958 . . 2 . . . . 45 K HE3 . 16363 1 488 . 1 1 45 45 LYS HG2 H 1 1.427 . . 2 . . . . 45 K HG2 . 16363 1 489 . 1 1 45 45 LYS HG3 H 1 1.509 . . 2 . . . . 45 K HG3 . 16363 1 490 . 1 1 45 45 LYS C C 13 177.468 . . 1 . . . . 45 K C . 16363 1 491 . 1 1 45 45 LYS CA C 13 58.192 . . 1 . . . . 45 K CA . 16363 1 492 . 1 1 45 45 LYS CB C 13 32.717 . . 1 . . . . 45 K CB . 16363 1 493 . 1 1 45 45 LYS CD C 13 28.985 . . 1 . . . . 45 K CD . 16363 1 494 . 1 1 45 45 LYS CE C 13 41.841 . . 1 . . . . 45 K CE . 16363 1 495 . 1 1 45 45 LYS CG C 13 25.245 . . 1 . . . . 45 K CG . 16363 1 496 . 1 1 45 45 LYS N N 15 121.467 . . 1 . . . . 45 K N . 16363 1 497 . 1 1 46 46 GLN H H 1 7.931 . . 1 . . . . 46 Q HN . 16363 1 498 . 1 1 46 46 GLN HA H 1 4.179 . . 1 . . . . 46 Q HA . 16363 1 499 . 1 1 46 46 GLN HB2 H 1 2.058 . . 2 . . . . 46 Q HB2 . 16363 1 500 . 1 1 46 46 GLN HB3 H 1 2.071 . . 2 . . . . 46 Q HB3 . 16363 1 501 . 1 1 46 46 GLN HG2 H 1 2.354 . . 2 . . . . 46 Q HG2 . 16363 1 502 . 1 1 46 46 GLN HG3 H 1 2.417 . . 2 . . . . 46 Q HG3 . 16363 1 503 . 1 1 46 46 GLN CA C 13 56.864 . . 1 . . . . 46 Q CA . 16363 1 504 . 1 1 46 46 GLN CB C 13 29.016 . . 1 . . . . 46 Q CB . 16363 1 505 . 1 1 46 46 GLN CG C 13 34.017 . . 1 . . . . 46 Q CG . 16363 1 506 . 1 1 46 46 GLN N N 15 118.816 . . 1 . . . . 46 Q N . 16363 1 507 . 1 1 47 47 ARG HA H 1 4.374 . . 1 . . . . 47 R HA . 16363 1 508 . 1 1 47 47 ARG HB2 H 1 1.754 . . 2 . . . . 47 R HB2 . 16363 1 509 . 1 1 47 47 ARG HB3 H 1 1.877 . . 2 . . . . 47 R HB3 . 16363 1 510 . 1 1 47 47 ARG HD2 H 1 3.193 . . 2 . . . . 47 R HD2 . 16363 1 511 . 1 1 47 47 ARG HD3 H 1 3.194 . . 2 . . . . 47 R HD3 . 16363 1 512 . 1 1 47 47 ARG HG2 H 1 1.622 . . 2 . . . . 47 R HG2 . 16363 1 513 . 1 1 47 47 ARG C C 13 176.807 . . 1 . . . . 47 R C . 16363 1 514 . 1 1 47 47 ARG CA C 13 56.731 . . 1 . . . . 47 R CA . 16363 1 515 . 1 1 47 47 ARG CB C 13 30.431 . . 1 . . . . 47 R CB . 16363 1 516 . 1 1 47 47 ARG CD C 13 42.876 . . 1 . . . . 47 R CD . 16363 1 517 . 1 1 47 47 ARG CG C 13 27.195 . . 1 . . . . 47 R CG . 16363 1 518 . 1 1 48 48 THR H H 1 7.943 . . 1 . . . . 48 T HN . 16363 1 519 . 1 1 48 48 THR HA H 1 4.262 . . 1 . . . . 48 T HA . 16363 1 520 . 1 1 48 48 THR HG21 H 1 1.192 . . . . . . . 48 T QG2 . 16363 1 521 . 1 1 48 48 THR HG22 H 1 1.192 . . . . . . . 48 T QG2 . 16363 1 522 . 1 1 48 48 THR HG23 H 1 1.192 . . . . . . . 48 T QG2 . 16363 1 523 . 1 1 48 48 THR C C 13 174.487 . . 1 . . . . 48 T C . 16363 1 524 . 1 1 48 48 THR CA C 13 62.479 . . 1 . . . . 48 T CA . 16363 1 525 . 1 1 48 48 THR CB C 13 69.820 . . 1 . . . . 48 T CB . 16363 1 526 . 1 1 48 48 THR CG2 C 13 21.802 . . 1 . . . . 48 T CG2 . 16363 1 527 . 1 1 48 48 THR N N 15 113.247 . . 1 . . . . 48 T N . 16363 1 528 . 1 1 49 49 ALA H H 1 7.995 . . 1 . . . . 49 A HN . 16363 1 529 . 1 1 49 49 ALA HA H 1 4.249 . . 1 . . . . 49 A HA . 16363 1 530 . 1 1 49 49 ALA HB1 H 1 1.375 . . . . . . . 49 A QB . 16363 1 531 . 1 1 49 49 ALA HB2 H 1 1.375 . . . . . . . 49 A QB . 16363 1 532 . 1 1 49 49 ALA HB3 H 1 1.375 . . . . . . . 49 A QB . 16363 1 533 . 1 1 49 49 ALA C C 13 177.677 . . 1 . . . . 49 A C . 16363 1 534 . 1 1 49 49 ALA CA C 13 53.149 . . 1 . . . . 49 A CA . 16363 1 535 . 1 1 49 49 ALA CB C 13 19.243 . . 1 . . . . 49 A CB . 16363 1 536 . 1 1 49 49 ALA N N 15 125.780 . . 1 . . . . 49 A N . 16363 1 537 . 1 1 50 50 LYS H H 1 8.049 . . 1 . . . . 50 K HN . 16363 1 538 . 1 1 50 50 LYS HA H 1 4.180 . . 1 . . . . 50 K HA . 16363 1 539 . 1 1 50 50 LYS HB2 H 1 1.673 . . 2 . . . . 50 K HB2 . 16363 1 540 . 1 1 50 50 LYS HB3 H 1 1.674 . . 2 . . . . 50 K HB3 . 16363 1 541 . 1 1 50 50 LYS HD2 H 1 1.607 . . 2 . . . . 50 K HD2 . 16363 1 542 . 1 1 50 50 LYS HD3 H 1 1.609 . . 2 . . . . 50 K HD3 . 16363 1 543 . 1 1 50 50 LYS HE2 H 1 2.927 . . 2 . . . . 50 K HE2 . 16363 1 544 . 1 1 50 50 LYS HE3 H 1 2.928 . . 2 . . . . 50 K HE3 . 16363 1 545 . 1 1 50 50 LYS HG2 H 1 1.271 . . 2 . . . . 50 K HG2 . 16363 1 546 . 1 1 50 50 LYS HG3 H 1 1.299 . . 2 . . . . 50 K HG3 . 16363 1 547 . 1 1 50 50 LYS C C 13 176.220 . . 1 . . . . 50 K C . 16363 1 548 . 1 1 50 50 LYS CA C 13 56.763 . . 1 . . . . 50 K CA . 16363 1 549 . 1 1 50 50 LYS CB C 13 33.136 . . 1 . . . . 50 K CB . 16363 1 550 . 1 1 50 50 LYS CD C 13 29.047 . . 1 . . . . 50 K CD . 16363 1 551 . 1 1 50 50 LYS CE C 13 41.841 . . 1 . . . . 50 K CE . 16363 1 552 . 1 1 50 50 LYS CG C 13 24.767 . . 1 . . . . 50 K CG . 16363 1 553 . 1 1 50 50 LYS N N 15 119.248 . . 1 . . . . 50 K N . 16363 1 554 . 1 1 51 51 TYR H H 1 8.028 . . 1 . . . . 51 Y HN . 16363 1 555 . 1 1 51 51 TYR HA H 1 4.528 . . 1 . . . . 51 Y HA . 16363 1 556 . 1 1 51 51 TYR HB2 H 1 2.961 . . 2 . . . . 51 Y HB2 . 16363 1 557 . 1 1 51 51 TYR HB3 H 1 2.988 . . 2 . . . . 51 Y HB3 . 16363 1 558 . 1 1 51 51 TYR HD1 H 1 7.078 . . 3 . . . . 51 Y QD . 16363 1 559 . 1 1 51 51 TYR HD2 H 1 7.078 . . 3 . . . . 51 Y QD . 16363 1 560 . 1 1 51 51 TYR HE1 H 1 6.785 . . 3 . . . . 51 Y QE . 16363 1 561 . 1 1 51 51 TYR HE2 H 1 6.785 . . 3 . . . . 51 Y QE . 16363 1 562 . 1 1 51 51 TYR C C 13 175.557 . . 1 . . . . 51 Y C . 16363 1 563 . 1 1 51 51 TYR CA C 13 58.219 . . 1 . . . . 51 Y CA . 16363 1 564 . 1 1 51 51 TYR CB C 13 38.983 . . 1 . . . . 51 Y CB . 16363 1 565 . 1 1 51 51 TYR CD1 C 13 133.170 . . . . . . . 51 Y CD* . 16363 1 566 . 1 1 51 51 TYR CD2 C 13 133.170 . . . . . . . 51 Y CD* . 16363 1 567 . 1 1 51 51 TYR CE1 C 13 118.446 . . . . . . . 51 Y CE* . 16363 1 568 . 1 1 51 51 TYR CE2 C 13 118.446 . . . . . . . 51 Y CE* . 16363 1 569 . 1 1 51 51 TYR N N 15 121.006 . . 1 . . . . 51 Y N . 16363 1 570 . 1 1 52 52 VAL H H 1 7.866 . . 1 . . . . 52 V HN . 16363 1 571 . 1 1 52 52 VAL HA H 1 3.992 . . 1 . . . . 52 V HA . 16363 1 572 . 1 1 52 52 VAL HB H 1 1.983 . . 1 . . . . 52 V HB . 16363 1 573 . 1 1 52 52 VAL HG11 H 1 0.872 . . . . . . . 52 V QG1 . 16363 1 574 . 1 1 52 52 VAL HG12 H 1 0.872 . . . . . . . 52 V QG1 . 16363 1 575 . 1 1 52 52 VAL HG13 H 1 0.872 . . . . . . . 52 V QG1 . 16363 1 576 . 1 1 52 52 VAL HG21 H 1 0.874 . . . . . . . 52 V QG2 . 16363 1 577 . 1 1 52 52 VAL HG22 H 1 0.874 . . . . . . . 52 V QG2 . 16363 1 578 . 1 1 52 52 VAL HG23 H 1 0.874 . . . . . . . 52 V QG2 . 16363 1 579 . 1 1 52 52 VAL C C 13 175.274 . . 1 . . . . 52 V C . 16363 1 580 . 1 1 52 52 VAL CA C 13 62.034 . . 1 . . . . 52 V CA . 16363 1 581 . 1 1 52 52 VAL CB C 13 33.097 . . 1 . . . . 52 V CB . 16363 1 582 . 1 1 52 52 VAL CG1 C 13 21.233 . . 2 . . . . 52 V CG1 . 16363 1 583 . 1 1 52 52 VAL CG2 C 13 20.296 . . 2 . . . . 52 V CG2 . 16363 1 584 . 1 1 52 52 VAL N N 15 122.483 . . 1 . . . . 52 V N . 16363 1 585 . 1 1 53 53 ALA H H 1 8.138 . . 1 . . . . 53 A HN . 16363 1 586 . 1 1 53 53 ALA HA H 1 4.215 . . 1 . . . . 53 A HA . 16363 1 587 . 1 1 53 53 ALA HB1 H 1 1.380 . . . . . . . 53 A QB . 16363 1 588 . 1 1 53 53 ALA HB2 H 1 1.380 . . . . . . . 53 A QB . 16363 1 589 . 1 1 53 53 ALA HB3 H 1 1.380 . . . . . . . 53 A QB . 16363 1 590 . 1 1 53 53 ALA C C 13 177.293 . . 1 . . . . 53 A C . 16363 1 591 . 1 1 53 53 ALA CA C 13 52.680 . . 1 . . . . 53 A CA . 16363 1 592 . 1 1 53 53 ALA CB C 13 19.309 . . 1 . . . . 53 A CB . 16363 1 593 . 1 1 53 53 ALA N N 15 126.748 . . 1 . . . . 53 A N . 16363 1 594 . 1 1 54 54 ASN H H 1 8.241 . . 1 . . . . 54 N HN . 16363 1 595 . 1 1 54 54 ASN HA H 1 4.615 . . 1 . . . . 54 N HA . 16363 1 596 . 1 1 54 54 ASN HB2 H 1 2.734 . . 2 . . . . 54 N HB2 . 16363 1 597 . 1 1 54 54 ASN HB3 H 1 2.771 . . 2 . . . . 54 N HB3 . 16363 1 598 . 1 1 54 54 ASN HD21 H 1 6.862 . . 2 . . . . 54 N HD21 . 16363 1 599 . 1 1 54 54 ASN HD22 H 1 7.552 . . 2 . . . . 54 N HD22 . 16363 1 600 . 1 1 54 54 ASN C C 13 174.698 . . 1 . . . . 54 N C . 16363 1 601 . 1 1 54 54 ASN CA C 13 53.334 . . 1 . . . . 54 N CA . 16363 1 602 . 1 1 54 54 ASN CB C 13 38.781 . . 1 . . . . 54 N CB . 16363 1 603 . 1 1 54 54 ASN N N 15 117.145 . . 1 . . . . 54 N N . 16363 1 604 . 1 1 54 54 ASN ND2 N 15 112.049 . . 1 . . . . 54 N ND2 . 16363 1 605 . 1 1 55 55 GLN H H 1 8.104 . . 1 . . . . 55 Q HN . 16363 1 606 . 1 1 55 55 GLN HA H 1 4.606 . . 1 . . . . 55 Q HA . 16363 1 607 . 1 1 55 55 GLN HB2 H 1 1.907 . . 2 . . . . 55 Q HB2 . 16363 1 608 . 1 1 55 55 GLN HB3 H 1 2.074 . . 2 . . . . 55 Q HB3 . 16363 1 609 . 1 1 55 55 GLN HG2 H 1 2.332 . . 2 . . . . 55 Q HG2 . 16363 1 610 . 1 1 55 55 GLN HG3 H 1 2.334 . . 2 . . . . 55 Q HG3 . 16363 1 611 . 1 1 55 55 GLN CA C 13 53.777 . . 1 . . . . 55 Q CA . 16363 1 612 . 1 1 55 55 GLN CB C 13 29.329 . . 1 . . . . 55 Q CB . 16363 1 613 . 1 1 55 55 GLN CG C 13 33.161 . . 1 . . . . 55 Q CG . 16363 1 614 . 1 1 55 55 GLN N N 15 120.925 . . 1 . . . . 55 Q N . 16363 1 615 . 1 1 56 56 PRO HA H 1 4.423 . . 1 . . . . 56 P HA . 16363 1 616 . 1 1 56 56 PRO HB2 H 1 1.966 . . 2 . . . . 56 P HB2 . 16363 1 617 . 1 1 56 56 PRO HB3 H 1 2.298 . . 2 . . . . 56 P HB3 . 16363 1 618 . 1 1 56 56 PRO HD2 H 1 3.672 . . 2 . . . . 56 P HD2 . 16363 1 619 . 1 1 56 56 PRO HD3 H 1 3.782 . . 2 . . . . 56 P HD3 . 16363 1 620 . 1 1 56 56 PRO HG2 H 1 2.066 . . 2 . . . . 56 P QG . 16363 1 621 . 1 1 56 56 PRO HG3 H 1 2.066 . . 2 . . . . 56 P QG . 16363 1 622 . 1 1 56 56 PRO C C 13 177.468 . . 1 . . . . 56 P C . 16363 1 623 . 1 1 56 56 PRO CA C 13 63.671 . . 1 . . . . 56 P CA . 16363 1 624 . 1 1 56 56 PRO CB C 13 32.129 . . 1 . . . . 56 P CB . 16363 1 625 . 1 1 56 56 PRO CD C 13 50.717 . . 1 . . . . 56 P CD . 16363 1 626 . 1 1 56 56 PRO CG C 13 27.508 . . 1 . . . . 56 P CG . 16363 1 627 . 1 1 57 57 GLY H H 1 8.498 . . 1 . . . . 57 G HN . 16363 1 628 . 1 1 57 57 GLY HA2 H 1 3.956 . . . . . . . 57 G HA1 . 16363 1 629 . 1 1 57 57 GLY HA3 H 1 3.958 . . 2 . . . . 57 G HA2 . 16363 1 630 . 1 1 57 57 GLY C C 13 174.200 . . 1 . . . . 57 G C . 16363 1 631 . 1 1 57 57 GLY CA C 13 45.503 . . 1 . . . . 57 G CA . 16363 1 632 . 1 1 57 57 GLY N N 15 109.378 . . 1 . . . . 57 G N . 16363 1 633 . 1 1 58 58 MET H H 1 8.031 . . 1 . . . . 58 M HN . 16363 1 634 . 1 1 58 58 MET HA H 1 4.509 . . 1 . . . . 58 M HA . 16363 1 635 . 1 1 58 58 MET HB2 H 1 1.984 . . 2 . . . . 58 M HB2 . 16363 1 636 . 1 1 58 58 MET HB3 H 1 2.122 . . 2 . . . . 58 M HB3 . 16363 1 637 . 1 1 58 58 MET HE1 H 1 2.078 . . . . . . . 58 M QE . 16363 1 638 . 1 1 58 58 MET HE2 H 1 2.078 . . . . . . . 58 M QE . 16363 1 639 . 1 1 58 58 MET HE3 H 1 2.078 . . . . . . . 58 M QE . 16363 1 640 . 1 1 58 58 MET HG2 H 1 2.496 . . 2 . . . . 58 M HG2 . 16363 1 641 . 1 1 58 58 MET HG3 H 1 2.584 . . 2 . . . . 58 M HG3 . 16363 1 642 . 1 1 58 58 MET C C 13 175.290 . . 1 . . . . 58 M C . 16363 1 643 . 1 1 58 58 MET CA C 13 55.540 . . 1 . . . . 58 M CA . 16363 1 644 . 1 1 58 58 MET CB C 13 33.312 . . 1 . . . . 58 M CB . 16363 1 645 . 1 1 58 58 MET CE C 13 17.089 . . 1 . . . . 58 M CE . 16363 1 646 . 1 1 58 58 MET CG C 13 31.939 . . 1 . . . . 58 M CG . 16363 1 647 . 1 1 58 58 MET N N 15 119.831 . . 1 . . . . 58 M N . 16363 1 648 . 1 1 59 59 GLN H H 1 7.940 . . 1 . . . . 59 Q HN . 16363 1 649 . 1 1 59 59 GLN HA H 1 4.166 . . 1 . . . . 59 Q HA . 16363 1 650 . 1 1 59 59 GLN HB2 H 1 1.916 . . 2 . . . . 59 Q HB2 . 16363 1 651 . 1 1 59 59 GLN HB3 H 1 2.104 . . 2 . . . . 59 Q HB3 . 16363 1 652 . 1 1 59 59 GLN HG2 H 1 2.281 . . 2 . . . . 59 Q HG2 . 16363 1 653 . 1 1 59 59 GLN HG3 H 1 2.281 . . 2 . . . . 59 Q HG3 . 16363 1 654 . 1 1 59 59 GLN CA C 13 57.361 . . 1 . . . . 59 Q CA . 16363 1 655 . 1 1 59 59 GLN CB C 13 30.535 . . 1 . . . . 59 Q CB . 16363 1 656 . 1 1 59 59 GLN CG C 13 34.282 . . 1 . . . . 59 Q CG . 16363 1 657 . 1 1 59 59 GLN N N 15 126.033 . . 1 . . . . 59 Q N . 16363 1 stop_ save_