data_15473 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15473 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for 8M Urea Denatured State of dSUMO-3(dSMT3) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-09-17 _Entry.Accession_date 2007-09-17 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Dinesh Kumar . . I 15473 2 Jyoti Misra . Ranjan II 15473 3 Jeetender Chugh . . III 15473 4 Shilpy Sharma . . IV 15473 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . 'TIFR, INDIA' . 15473 1 . 'Hosur's group' . 15473 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15473 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 261 15473 '15N chemical shifts' 90 15473 '1H chemical shifts' 410 15473 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 4 . . 2009-08-12 2007-09-17 update BMRB 'added PubMed ID' 15473 3 . . 2008-06-04 2007-09-17 update BMRB 'complete entry citation' 15473 2 . . 2008-05-05 2007-09-17 update author 'update chemical shifts' 15473 1 . . 2007-09-19 2007-09-17 original author 'original release' 15473 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15473 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19636913 _Citation.Full_citation . _Citation.Title '1H, 15N, 13C resonance assignment of folded and 8 M urea-denatured state of SUMO from Drosophila melanogaster' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 2 _Citation.Journal_issue 1 _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 13 _Citation.Page_last 15 _Citation.Year 2008 _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 Dinesh Kumar . . . 15473 1 2 Ashutosh Kumar . . . 15473 1 3 'Jyoti Ranjan' Misra . . . 15473 1 4 Jeetender Chugh . . . 15473 1 5 Shilpy Sharma . . . 15473 1 6 Ramakrishna Hosur . V. . 15473 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Denatured State' 15473 1 NMR 15473 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15473 _Assembly.ID 1 _Assembly.Name dSUMO _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 9972.2 _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 dSUMO 1 $dSUMO A . yes denatured no no . . . 15473 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Post translational Modification' 15473 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_dSUMO _Entity.Sf_category entity _Entity.Sf_framecode dSUMO _Entity.Entry_ID 15473 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name dSUMO _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 ; GSMSDEKKGGETEHINLKVL GQDNAVVQFKIKKHTPLRKL MNAYCDRAGLSMQVVRFRFD GQPINENDTPTSLEMEEGDT IEVYQQQTGG ; _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 90 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9972.2 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 PDB 2K1F . "Sumo-3 From Drosophila Melanogaster (Dsmt3)" . . . . . 97.78 88 100.00 100.00 7.13e-58 . . . . 15473 1 2 no EMBL CBA18485 . "smt3 protein [synthetic construct]" . . . . . 97.78 90 97.73 97.73 8.05e-57 . . . . 15473 1 3 no GB AAD19219 . "ubiquitin-like protein SMT3 [Drosophila melanogaster]" . . . . . 97.78 90 100.00 100.00 7.16e-58 . . . . 15473 1 4 no GB AAF31702 . "Smt3 [Drosophila melanogaster]" . . . . . 97.78 90 100.00 100.00 7.16e-58 . . . . 15473 1 5 no GB AAF52470 . "smt3, isoform A [Drosophila melanogaster]" . . . . . 97.78 90 100.00 100.00 7.16e-58 . . . . 15473 1 6 no GB AAL28638 . "LD07775p [Drosophila melanogaster]" . . . . . 97.78 90 100.00 100.00 7.16e-58 . . . . 15473 1 7 no GB ALC38481 . "smt3 [Drosophila busckii]" . . . . . 98.89 135 98.88 100.00 4.33e-58 . . . . 15473 1 8 no REF NP_001303312 . "smt3, isoform B [Drosophila melanogaster]" . . . . . 97.78 90 100.00 100.00 7.16e-58 . . . . 15473 1 9 no REF NP_477411 . "smt3, isoform A [Drosophila melanogaster]" . . . . . 97.78 90 100.00 100.00 7.16e-58 . . . . 15473 1 10 no REF XP_001355784 . "GA18220 [Drosophila pseudoobscura pseudoobscura]" . . . . . 97.78 90 100.00 100.00 8.53e-58 . . . . 15473 1 11 no REF XP_001650444 . "AAEL015064-PA [Aedes aegypti]" . . . . . 55.56 54 98.00 100.00 1.03e-27 . . . . 15473 1 12 no REF XP_001962391 . "GF14461 [Drosophila ananassae]" . . . . . 97.78 91 100.00 100.00 5.62e-58 . . . . 15473 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Post translational Modification' 15473 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 -2 GLY . 15473 1 2 -1 SER . 15473 1 3 1 MET . 15473 1 4 2 SER . 15473 1 5 3 ASP . 15473 1 6 4 GLU . 15473 1 7 5 LYS . 15473 1 8 6 LYS . 15473 1 9 7 GLY . 15473 1 10 8 GLY . 15473 1 11 9 GLU . 15473 1 12 10 THR . 15473 1 13 11 GLU . 15473 1 14 12 HIS . 15473 1 15 13 ILE . 15473 1 16 14 ASN . 15473 1 17 15 LEU . 15473 1 18 16 LYS . 15473 1 19 17 VAL . 15473 1 20 18 LEU . 15473 1 21 19 GLY . 15473 1 22 20 GLN . 15473 1 23 21 ASP . 15473 1 24 22 ASN . 15473 1 25 23 ALA . 15473 1 26 24 VAL . 15473 1 27 25 VAL . 15473 1 28 26 GLN . 15473 1 29 27 PHE . 15473 1 30 28 LYS . 15473 1 31 29 ILE . 15473 1 32 30 LYS . 15473 1 33 31 LYS . 15473 1 34 32 HIS . 15473 1 35 33 THR . 15473 1 36 34 PRO . 15473 1 37 35 LEU . 15473 1 38 36 ARG . 15473 1 39 37 LYS . 15473 1 40 38 LEU . 15473 1 41 39 MET . 15473 1 42 40 ASN . 15473 1 43 41 ALA . 15473 1 44 42 TYR . 15473 1 45 43 CYS . 15473 1 46 44 ASP . 15473 1 47 45 ARG . 15473 1 48 46 ALA . 15473 1 49 47 GLY . 15473 1 50 48 LEU . 15473 1 51 49 SER . 15473 1 52 50 MET . 15473 1 53 51 GLN . 15473 1 54 52 VAL . 15473 1 55 53 VAL . 15473 1 56 54 ARG . 15473 1 57 55 PHE . 15473 1 58 56 ARG . 15473 1 59 57 PHE . 15473 1 60 58 ASP . 15473 1 61 59 GLY . 15473 1 62 60 GLN . 15473 1 63 61 PRO . 15473 1 64 62 ILE . 15473 1 65 63 ASN . 15473 1 66 64 GLU . 15473 1 67 65 ASN . 15473 1 68 66 ASP . 15473 1 69 67 THR . 15473 1 70 68 PRO . 15473 1 71 69 THR . 15473 1 72 70 SER . 15473 1 73 71 LEU . 15473 1 74 72 GLU . 15473 1 75 73 MET . 15473 1 76 74 GLU . 15473 1 77 75 GLU . 15473 1 78 76 GLY . 15473 1 79 77 ASP . 15473 1 80 78 THR . 15473 1 81 79 ILE . 15473 1 82 80 GLU . 15473 1 83 81 VAL . 15473 1 84 82 TYR . 15473 1 85 83 GLN . 15473 1 86 84 GLN . 15473 1 87 85 GLN . 15473 1 88 86 THR . 15473 1 89 87 GLY . 15473 1 90 88 GLY . 15473 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 15473 1 . SER 2 2 15473 1 . MET 3 3 15473 1 . SER 4 4 15473 1 . ASP 5 5 15473 1 . GLU 6 6 15473 1 . LYS 7 7 15473 1 . LYS 8 8 15473 1 . GLY 9 9 15473 1 . GLY 10 10 15473 1 . GLU 11 11 15473 1 . THR 12 12 15473 1 . GLU 13 13 15473 1 . HIS 14 14 15473 1 . ILE 15 15 15473 1 . ASN 16 16 15473 1 . LEU 17 17 15473 1 . LYS 18 18 15473 1 . VAL 19 19 15473 1 . LEU 20 20 15473 1 . GLY 21 21 15473 1 . GLN 22 22 15473 1 . ASP 23 23 15473 1 . ASN 24 24 15473 1 . ALA 25 25 15473 1 . VAL 26 26 15473 1 . VAL 27 27 15473 1 . GLN 28 28 15473 1 . PHE 29 29 15473 1 . LYS 30 30 15473 1 . ILE 31 31 15473 1 . LYS 32 32 15473 1 . LYS 33 33 15473 1 . HIS 34 34 15473 1 . THR 35 35 15473 1 . PRO 36 36 15473 1 . LEU 37 37 15473 1 . ARG 38 38 15473 1 . LYS 39 39 15473 1 . LEU 40 40 15473 1 . MET 41 41 15473 1 . ASN 42 42 15473 1 . ALA 43 43 15473 1 . TYR 44 44 15473 1 . CYS 45 45 15473 1 . ASP 46 46 15473 1 . ARG 47 47 15473 1 . ALA 48 48 15473 1 . GLY 49 49 15473 1 . LEU 50 50 15473 1 . SER 51 51 15473 1 . MET 52 52 15473 1 . GLN 53 53 15473 1 . VAL 54 54 15473 1 . VAL 55 55 15473 1 . ARG 56 56 15473 1 . PHE 57 57 15473 1 . ARG 58 58 15473 1 . PHE 59 59 15473 1 . ASP 60 60 15473 1 . GLY 61 61 15473 1 . GLN 62 62 15473 1 . PRO 63 63 15473 1 . ILE 64 64 15473 1 . ASN 65 65 15473 1 . GLU 66 66 15473 1 . ASN 67 67 15473 1 . ASP 68 68 15473 1 . THR 69 69 15473 1 . PRO 70 70 15473 1 . THR 71 71 15473 1 . SER 72 72 15473 1 . LEU 73 73 15473 1 . GLU 74 74 15473 1 . MET 75 75 15473 1 . GLU 76 76 15473 1 . GLU 77 77 15473 1 . GLY 78 78 15473 1 . ASP 79 79 15473 1 . THR 80 80 15473 1 . ILE 81 81 15473 1 . GLU 82 82 15473 1 . VAL 83 83 15473 1 . TYR 84 84 15473 1 . GLN 85 85 15473 1 . GLN 86 86 15473 1 . GLN 87 87 15473 1 . THR 88 88 15473 1 . GLY 89 89 15473 1 . GLY 90 90 15473 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 15473 _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 $dSUMO . 7227 organism . 'Drosophila melanogaster' 'fruit fly' . . Eukaryota Metazoa Drosophila melanogaster . . . . . . . . . . . . . . . . . . . . . 15473 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 15473 _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 $dSUMO . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pGEX4T1 . . . . . . 15473 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15473 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 dSUMO '[U-99% 13C; U-99% 15N]' . . 1 $dSUMO . . 1 . . mM . . . . 15473 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 15473 _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 pH 5.7 . pH 15473 1 pressure 1 . atm 15473 1 temperature 300 . K 15473 1 stop_ save_ ############################ # Computer software used # ############################ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 15473 _Software.ID 1 _Software.Name FELIX _Software.Version 2002 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 15473 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15473 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 15473 _Software.ID 2 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 15473 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15473 2 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 15473 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 15473 _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 . 600 . . . 15473 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 15473 _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 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15473 1 2 '3D HNN' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15473 1 3 '3D HN(C)N' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15473 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15473 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15473 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15473 1 7 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15473 1 8 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15473 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 15473 _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 . . . . . . . . . 15473 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15473 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15473 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 15473 _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' . . . 15473 1 2 '3D HNN' . . . 15473 1 3 '3D HN(C)N' . . . 15473 1 4 '3D CBCA(CO)NH' . . . 15473 1 5 '3D HNCACB' . . . 15473 1 6 '3D HNCO' . . . 15473 1 7 '3D HN(CA)CO' . . . 15473 1 8 '3D 1H-15N TOCSY' . . . 15473 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 $CARA . . 15473 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 1 1 GLY H H 1 8.31 0.02 . 1 . . . . 1 GLY H . 15473 1 2 . 1 1 1 1 GLY C C 13 175.5 0.3 . 1 . . . . 1 GLY C . 15473 1 3 . 1 1 1 1 GLY CA C 13 45.8 0.3 . 1 . . . . 1 GLY CA . 15473 1 4 . 1 1 1 1 GLY N N 15 107.9 0.3 . 1 . . . . 1 GLY N . 15473 1 5 . 1 1 2 2 SER H H 1 8.18 0.02 . 1 . . . . 2 SER H . 15473 1 6 . 1 1 2 2 SER HA H 1 4.36 0.02 . 1 . . . . 2 SER HA . 15473 1 7 . 1 1 2 2 SER HB2 H 1 3.82 0.02 . 1 . . . . 2 SER HB2 . 15473 1 8 . 1 1 2 2 SER C C 13 175.6 0.3 . 1 . . . . 2 SER C . 15473 1 9 . 1 1 2 2 SER CA C 13 57.8 0.3 . 1 . . . . 2 SER CA . 15473 1 10 . 1 1 2 2 SER CB C 13 63.7 0.3 . 1 . . . . 2 SER CB . 15473 1 11 . 1 1 2 2 SER N N 15 115.7 0.3 . 1 . . . . 2 SER N . 15473 1 12 . 1 1 3 3 MET H H 1 8.29 0.02 . 1 . . . . 3 MET H . 15473 1 13 . 1 1 3 3 MET HA H 1 4.54 0.02 . 1 . . . . 3 MET HA . 15473 1 14 . 1 1 3 3 MET HB2 H 1 2.11 0.02 . 2 . . . . 3 MET HB2 . 15473 1 15 . 1 1 3 3 MET HB3 H 1 1.96 0.02 . 2 . . . . 3 MET HB3 . 15473 1 16 . 1 1 3 3 MET HG2 H 1 2.31 0.02 . 1 . . . . 3 MET HG2 . 15473 1 17 . 1 1 3 3 MET C C 13 175.9 0.3 . 1 . . . . 3 MET C . 15473 1 18 . 1 1 3 3 MET CA C 13 55.2 0.3 . 1 . . . . 3 MET CA . 15473 1 19 . 1 1 3 3 MET CB C 13 33.2 0.3 . 1 . . . . 3 MET CB . 15473 1 20 . 1 1 3 3 MET N N 15 122.6 0.3 . 1 . . . . 3 MET N . 15473 1 21 . 1 1 4 4 SER H H 1 8.28 0.02 . 1 . . . . 4 SER H . 15473 1 22 . 1 1 4 4 SER HA H 1 4.46 0.02 . 1 . . . . 4 SER HA . 15473 1 23 . 1 1 4 4 SER HB2 H 1 3.90 0.02 . 1 . . . . 4 SER HB2 . 15473 1 24 . 1 1 4 4 SER C C 13 174.3 0.3 . 1 . . . . 4 SER C . 15473 1 25 . 1 1 4 4 SER CA C 13 58.2 0.3 . 1 . . . . 4 SER CA . 15473 1 26 . 1 1 4 4 SER CB C 13 64.2 0.3 . 1 . . . . 4 SER CB . 15473 1 27 . 1 1 4 4 SER N N 15 116.9 0.3 . 1 . . . . 4 SER N . 15473 1 28 . 1 1 5 5 ASP H H 1 8.47 0.02 . 1 . . . . 5 ASP H . 15473 1 29 . 1 1 5 5 ASP HA H 1 4.68 0.02 . 1 . . . . 5 ASP HA . 15473 1 30 . 1 1 5 5 ASP HB2 H 1 2.71 0.02 . 1 . . . . 5 ASP HB2 . 15473 1 31 . 1 1 5 5 ASP C C 13 176.2 0.3 . 1 . . . . 5 ASP C . 15473 1 32 . 1 1 5 5 ASP CA C 13 54.8 0.3 . 1 . . . . 5 ASP CA . 15473 1 33 . 1 1 5 5 ASP CB C 13 41.4 0.3 . 1 . . . . 5 ASP CB . 15473 1 34 . 1 1 5 5 ASP N N 15 122.5 0.3 . 1 . . . . 5 ASP N . 15473 1 35 . 1 1 6 6 GLU H H 1 8.35 0.02 . 1 . . . . 6 GLU H . 15473 1 36 . 1 1 6 6 GLU HA H 1 4.28 0.02 . 1 . . . . 6 GLU HA . 15473 1 37 . 1 1 6 6 GLU HB2 H 1 2.05 0.02 . 2 . . . . 6 GLU HB2 . 15473 1 38 . 1 1 6 6 GLU HB3 H 1 1.87 0.02 . 2 . . . . 6 GLU HB3 . 15473 1 39 . 1 1 6 6 GLU HG2 H 1 2.31 0.02 . 1 . . . . 6 GLU HG2 . 15473 1 40 . 1 1 6 6 GLU C C 13 176.6 0.3 . 1 . . . . 6 GLU C . 15473 1 41 . 1 1 6 6 GLU CA C 13 56.9 0.3 . 1 . . . . 6 GLU CA . 15473 1 42 . 1 1 6 6 GLU CB C 13 30.3 0.3 . 1 . . . . 6 GLU CB . 15473 1 43 . 1 1 6 6 GLU N N 15 121.2 0.3 . 1 . . . . 6 GLU N . 15473 1 44 . 1 1 7 7 LYS H H 1 8.37 0.02 . 1 . . . . 7 LYS H . 15473 1 45 . 1 1 7 7 LYS HA H 1 4.35 0.02 . 1 . . . . 7 LYS HA . 15473 1 46 . 1 1 7 7 LYS HB3 H 1 1.76 0.02 . 1 . . . . 7 LYS HB3 . 15473 1 47 . 1 1 7 7 LYS HG2 H 1 1.45 0.02 . 1 . . . . 7 LYS HG2 . 15473 1 48 . 1 1 7 7 LYS C C 13 176.6 0.3 . 1 . . . . 7 LYS C . 15473 1 49 . 1 1 7 7 LYS CA C 13 56.4 0.3 . 1 . . . . 7 LYS CA . 15473 1 50 . 1 1 7 7 LYS CB C 13 32.5 0.3 . 1 . . . . 7 LYS CB . 15473 1 51 . 1 1 7 7 LYS N N 15 122.2 0.3 . 1 . . . . 7 LYS N . 15473 1 52 . 1 1 8 8 LYS H H 1 8.35 0.02 . 1 . . . . 8 LYS H . 15473 1 53 . 1 1 8 8 LYS HA H 1 4.37 0.02 . 1 . . . . 8 LYS HA . 15473 1 54 . 1 1 8 8 LYS HB2 H 1 1.91 0.02 . 2 . . . . 8 LYS HB2 . 15473 1 55 . 1 1 8 8 LYS HB3 H 1 1.78 0.02 . 2 . . . . 8 LYS HB3 . 15473 1 56 . 1 1 8 8 LYS HG2 H 1 1.42 0.02 . 1 . . . . 8 LYS HG2 . 15473 1 57 . 1 1 8 8 LYS C C 13 177.2 0.3 . 1 . . . . 8 LYS C . 15473 1 58 . 1 1 8 8 LYS CA C 13 56.3 0.3 . 1 . . . . 8 LYS CA . 15473 1 59 . 1 1 8 8 LYS CB C 13 33.2 0.3 . 1 . . . . 8 LYS CB . 15473 1 60 . 1 1 8 8 LYS N N 15 122.7 0.3 . 1 . . . . 8 LYS N . 15473 1 61 . 1 1 9 9 GLY H H 1 8.48 0.02 . 1 . . . . 9 GLY H . 15473 1 62 . 1 1 9 9 GLY HA2 H 1 4.05 0.02 . 1 . . . . 9 GLY HA2 . 15473 1 63 . 1 1 9 9 GLY C C 13 174.5 0.3 . 1 . . . . 9 GLY C . 15473 1 64 . 1 1 9 9 GLY CA C 13 45.3 0.3 . 1 . . . . 9 GLY CA . 15473 1 65 . 1 1 9 9 GLY N N 15 110.0 0.3 . 1 . . . . 9 GLY N . 15473 1 66 . 1 1 10 10 GLY H H 1 8.30 0.02 . 1 . . . . 10 GLY H . 15473 1 67 . 1 1 10 10 GLY HA2 H 1 4.04 0.02 . 1 . . . . 10 GLY HA2 . 15473 1 68 . 1 1 10 10 GLY C C 13 176.8 0.3 . 1 . . . . 10 GLY C . 15473 1 69 . 1 1 10 10 GLY CA C 13 45.3 0.3 . 1 . . . . 10 GLY CA . 15473 1 70 . 1 1 10 10 GLY N N 15 108.5 0.3 . 1 . . . . 10 GLY N . 15473 1 71 . 1 1 11 11 GLU H H 1 8.47 0.02 . 1 . . . . 11 GLU H . 15473 1 72 . 1 1 11 11 GLU HA H 1 4.21 0.02 . 1 . . . . 11 GLU HA . 15473 1 73 . 1 1 11 11 GLU HB2 H 1 1.94 0.02 . 2 . . . . 11 GLU HB2 . 15473 1 74 . 1 1 11 11 GLU HB3 H 1 1.86 0.02 . 2 . . . . 11 GLU HB3 . 15473 1 75 . 1 1 11 11 GLU HG2 H 1 2.18 0.02 . 1 . . . . 11 GLU HG2 . 15473 1 76 . 1 1 11 11 GLU C C 13 176.9 0.3 . 1 . . . . 11 GLU C . 15473 1 77 . 1 1 11 11 GLU CA C 13 56.8 0.3 . 1 . . . . 11 GLU CA . 15473 1 78 . 1 1 11 11 GLU CB C 13 30.4 0.3 . 1 . . . . 11 GLU CB . 15473 1 79 . 1 1 11 11 GLU N N 15 120.6 0.3 . 1 . . . . 11 GLU N . 15473 1 80 . 1 1 12 12 THR H H 1 8.22 0.02 . 1 . . . . 12 THR H . 15473 1 81 . 1 1 12 12 THR HA H 1 4.36 0.02 . 1 . . . . 12 THR HA . 15473 1 82 . 1 1 12 12 THR HB H 1 4.21 0.02 . 1 . . . . 12 THR HB . 15473 1 83 . 1 1 12 12 THR HG21 H 1 1.21 0.02 . 1 . . . . 12 THR HG2 . 15473 1 84 . 1 1 12 12 THR HG22 H 1 1.21 0.02 . 1 . . . . 12 THR HG2 . 15473 1 85 . 1 1 12 12 THR HG23 H 1 1.21 0.02 . 1 . . . . 12 THR HG2 . 15473 1 86 . 1 1 12 12 THR C C 13 174.5 0.3 . 1 . . . . 12 THR C . 15473 1 87 . 1 1 12 12 THR CA C 13 63.0 0.3 . 1 . . . . 12 THR CA . 15473 1 88 . 1 1 12 12 THR CB C 13 69.8 0.3 . 1 . . . . 12 THR CB . 15473 1 89 . 1 1 12 12 THR N N 15 114.4 0.3 . 1 . . . . 12 THR N . 15473 1 90 . 1 1 13 13 GLU H H 1 8.35 0.02 . 1 . . . . 13 GLU H . 15473 1 91 . 1 1 13 13 GLU HA H 1 4.30 0.02 . 1 . . . . 13 GLU HA . 15473 1 92 . 1 1 13 13 GLU HB2 H 1 1.94 0.02 . 2 . . . . 13 GLU HB2 . 15473 1 93 . 1 1 13 13 GLU HB3 H 1 1.78 0.02 . 2 . . . . 13 GLU HB3 . 15473 1 94 . 1 1 13 13 GLU HG2 H 1 2.21 0.02 . 1 . . . . 13 GLU HG2 . 15473 1 95 . 1 1 13 13 GLU C C 13 175.8 0.3 . 1 . . . . 13 GLU C . 15473 1 96 . 1 1 13 13 GLU CA C 13 57.9 0.3 . 1 . . . . 13 GLU CA . 15473 1 97 . 1 1 13 13 GLU CB C 13 30.4 0.3 . 1 . . . . 13 GLU CB . 15473 1 98 . 1 1 13 13 GLU N N 15 122.8 0.3 . 1 . . . . 13 GLU N . 15473 1 99 . 1 1 14 14 HIS H H 1 8.12 0.02 . 1 . . . . 14 HIS H . 15473 1 100 . 1 1 14 14 HIS HA H 1 4.66 0.02 . 1 . . . . 14 HIS HA . 15473 1 101 . 1 1 14 14 HIS HB2 H 1 3.15 0.02 . 2 . . . . 14 HIS HB2 . 15473 1 102 . 1 1 14 14 HIS HB3 H 1 3.04 0.02 . 2 . . . . 14 HIS HB3 . 15473 1 103 . 1 1 14 14 HIS C C 13 176.1 0.3 . 1 . . . . 14 HIS C . 15473 1 104 . 1 1 14 14 HIS CA C 13 55.7 0.3 . 1 . . . . 14 HIS CA . 15473 1 105 . 1 1 14 14 HIS CB C 13 29.9 0.3 . 1 . . . . 14 HIS CB . 15473 1 106 . 1 1 14 14 HIS N N 15 120.2 0.3 . 1 . . . . 14 HIS N . 15473 1 107 . 1 1 15 15 ILE H H 1 8.15 0.02 . 1 . . . . 15 ILE H . 15473 1 108 . 1 1 15 15 ILE HA H 1 4.23 0.02 . 1 . . . . 15 ILE HA . 15473 1 109 . 1 1 15 15 ILE HB H 1 1.77 0.02 . 1 . . . . 15 ILE HB . 15473 1 110 . 1 1 15 15 ILE HD11 H 1 0.83 0.02 . 1 . . . . 15 ILE HD1 . 15473 1 111 . 1 1 15 15 ILE HD12 H 1 0.83 0.02 . 1 . . . . 15 ILE HD1 . 15473 1 112 . 1 1 15 15 ILE HD13 H 1 0.83 0.02 . 1 . . . . 15 ILE HD1 . 15473 1 113 . 1 1 15 15 ILE HG12 H 1 1.41 0.02 . 2 . . . . 15 ILE HG12 . 15473 1 114 . 1 1 15 15 ILE HG13 H 1 1.15 0.02 . 2 . . . . 15 ILE HG13 . 15473 1 115 . 1 1 15 15 ILE HG21 H 1 0.89 0.02 . 1 . . . . 15 ILE HG2 . 15473 1 116 . 1 1 15 15 ILE HG22 H 1 0.89 0.02 . 1 . . . . 15 ILE HG2 . 15473 1 117 . 1 1 15 15 ILE HG23 H 1 0.89 0.02 . 1 . . . . 15 ILE HG2 . 15473 1 118 . 1 1 15 15 ILE C C 13 175.5 0.3 . 1 . . . . 15 ILE C . 15473 1 119 . 1 1 15 15 ILE CA C 13 61.2 0.3 . 1 . . . . 15 ILE CA . 15473 1 120 . 1 1 15 15 ILE CB C 13 38.9 0.3 . 1 . . . . 15 ILE CB . 15473 1 121 . 1 1 15 15 ILE N N 15 122.4 0.3 . 1 . . . . 15 ILE N . 15473 1 122 . 1 1 16 16 ASN H H 1 8.61 0.02 . 1 . . . . 16 ASN H . 15473 1 123 . 1 1 16 16 ASN HA H 1 4.79 0.02 . 1 . . . . 16 ASN HA . 15473 1 124 . 1 1 16 16 ASN HB2 H 1 2.85 0.02 . 2 . . . . 16 ASN HB2 . 15473 1 125 . 1 1 16 16 ASN HB3 H 1 2.72 0.02 . 2 . . . . 16 ASN HB3 . 15473 1 126 . 1 1 16 16 ASN C C 13 174.9 0.3 . 1 . . . . 16 ASN C . 15473 1 127 . 1 1 16 16 ASN CA C 13 53.1 0.3 . 1 . . . . 16 ASN CA . 15473 1 128 . 1 1 16 16 ASN CB C 13 39.0 0.3 . 1 . . . . 16 ASN CB . 15473 1 129 . 1 1 16 16 ASN N N 15 123.1 0.3 . 1 . . . . 16 ASN N . 15473 1 130 . 1 1 17 17 LEU H H 1 8.28 0.02 . 1 . . . . 17 LEU H . 15473 1 131 . 1 1 17 17 LEU HA H 1 4.35 0.02 . 1 . . . . 17 LEU HA . 15473 1 132 . 1 1 17 17 LEU HB2 H 1 1.59 0.02 . 1 . . . . 17 LEU HB2 . 15473 1 133 . 1 1 17 17 LEU C C 13 176.6 0.3 . 1 . . . . 17 LEU C . 15473 1 134 . 1 1 17 17 LEU CA C 13 55.5 0.3 . 1 . . . . 17 LEU CA . 15473 1 135 . 1 1 17 17 LEU CB C 13 42.6 0.3 . 1 . . . . 17 LEU CB . 15473 1 136 . 1 1 17 17 LEU N N 15 123.5 0.3 . 1 . . . . 17 LEU N . 15473 1 137 . 1 1 18 18 LYS H H 1 8.35 0.02 . 1 . . . . 18 LYS H . 15473 1 138 . 1 1 18 18 LYS HA H 1 4.35 0.02 . 1 . . . . 18 LYS HA . 15473 1 139 . 1 1 18 18 LYS HB3 H 1 1.79 0.02 . 1 . . . . 18 LYS HB3 . 15473 1 140 . 1 1 18 18 LYS HG2 H 1 1.43 0.02 . 1 . . . . 18 LYS HG2 . 15473 1 141 . 1 1 18 18 LYS C C 13 176.3 0.3 . 1 . . . . 18 LYS C . 15473 1 142 . 1 1 18 18 LYS CA C 13 56.4 0.3 . 1 . . . . 18 LYS CA . 15473 1 143 . 1 1 18 18 LYS CB C 13 33.0 0.3 . 1 . . . . 18 LYS CB . 15473 1 144 . 1 1 18 18 LYS N N 15 122.2 0.3 . 1 . . . . 18 LYS N . 15473 1 145 . 1 1 19 19 VAL H H 1 8.09 0.02 . 1 . . . . 19 VAL H . 15473 1 146 . 1 1 19 19 VAL HA H 1 4.12 0.02 . 1 . . . . 19 VAL HA . 15473 1 147 . 1 1 19 19 VAL HB H 1 2.03 0.02 . 1 . . . . 19 VAL HB . 15473 1 148 . 1 1 19 19 VAL HG21 H 1 0.94 0.02 . 1 . . . . 19 VAL HG2 . 15473 1 149 . 1 1 19 19 VAL HG22 H 1 0.94 0.02 . 1 . . . . 19 VAL HG2 . 15473 1 150 . 1 1 19 19 VAL HG23 H 1 0.94 0.02 . 1 . . . . 19 VAL HG2 . 15473 1 151 . 1 1 19 19 VAL C C 13 176.0 0.3 . 1 . . . . 19 VAL C . 15473 1 152 . 1 1 19 19 VAL CA C 13 62.4 0.3 . 1 . . . . 19 VAL CA . 15473 1 153 . 1 1 19 19 VAL CB C 13 32.8 0.3 . 1 . . . . 19 VAL CB . 15473 1 154 . 1 1 19 19 VAL N N 15 121.3 0.3 . 1 . . . . 19 VAL N . 15473 1 155 . 1 1 20 20 LEU H H 1 8.31 0.02 . 1 . . . . 20 LEU H . 15473 1 156 . 1 1 20 20 LEU HA H 1 4.42 0.02 . 1 . . . . 20 LEU HA . 15473 1 157 . 1 1 20 20 LEU HB2 H 1 1.64 0.02 . 1 . . . . 20 LEU HB2 . 15473 1 158 . 1 1 20 20 LEU C C 13 177.7 0.3 . 1 . . . . 20 LEU C . 15473 1 159 . 1 1 20 20 LEU CA C 13 55.1 0.3 . 1 . . . . 20 LEU CA . 15473 1 160 . 1 1 20 20 LEU CB C 13 42.5 0.3 . 1 . . . . 20 LEU CB . 15473 1 161 . 1 1 20 20 LEU N N 15 125.9 0.3 . 1 . . . . 20 LEU N . 15473 1 162 . 1 1 21 21 GLY H H 1 8.40 0.02 . 1 . . . . 21 GLY H . 15473 1 163 . 1 1 21 21 GLY HA2 H 1 4.02 0.02 . 1 . . . . 21 GLY HA2 . 15473 1 164 . 1 1 21 21 GLY C C 13 174.1 0.3 . 1 . . . . 21 GLY C . 15473 1 165 . 1 1 21 21 GLY CA C 13 45.3 0.3 . 1 . . . . 21 GLY CA . 15473 1 166 . 1 1 21 21 GLY N N 15 109.5 0.3 . 1 . . . . 21 GLY N . 15473 1 167 . 1 1 22 22 GLN H H 1 8.23 0.02 . 1 . . . . 22 GLN H . 15473 1 168 . 1 1 22 22 GLN HA H 1 4.41 0.02 . 1 . . . . 22 GLN HA . 15473 1 169 . 1 1 22 22 GLN HB2 H 1 2.13 0.02 . 2 . . . . 22 GLN HB2 . 15473 1 170 . 1 1 22 22 GLN HB3 H 1 1.98 0.02 . 2 . . . . 22 GLN HB3 . 15473 1 171 . 1 1 22 22 GLN HG2 H 1 2.35 0.02 . 1 . . . . 22 GLN HG2 . 15473 1 172 . 1 1 22 22 GLN C C 13 175.6 0.3 . 1 . . . . 22 GLN C . 15473 1 173 . 1 1 22 22 GLN CA C 13 55.8 0.3 . 1 . . . . 22 GLN CA . 15473 1 174 . 1 1 22 22 GLN CB C 13 29.8 0.3 . 1 . . . . 22 GLN CB . 15473 1 175 . 1 1 22 22 GLN N N 15 119.5 0.3 . 1 . . . . 22 GLN N . 15473 1 176 . 1 1 23 23 ASP H H 1 8.46 0.02 . 1 . . . . 23 ASP H . 15473 1 177 . 1 1 23 23 ASP HA H 1 4.64 0.02 . 1 . . . . 23 ASP HA . 15473 1 178 . 1 1 23 23 ASP HB2 H 1 2.74 0.02 . 2 . . . . 23 ASP HB2 . 15473 1 179 . 1 1 23 23 ASP HB3 H 1 2.61 0.02 . 2 . . . . 23 ASP HB3 . 15473 1 180 . 1 1 23 23 ASP C C 13 176.1 0.3 . 1 . . . . 23 ASP C . 15473 1 181 . 1 1 23 23 ASP CA C 13 54.5 0.3 . 1 . . . . 23 ASP CA . 15473 1 182 . 1 1 23 23 ASP CB C 13 41.3 0.3 . 1 . . . . 23 ASP CB . 15473 1 183 . 1 1 23 23 ASP N N 15 121.3 0.3 . 1 . . . . 23 ASP N . 15473 1 184 . 1 1 24 24 ASN H H 1 8.36 0.02 . 1 . . . . 24 ASN H . 15473 1 185 . 1 1 24 24 ASN HA H 1 4.72 0.02 . 1 . . . . 24 ASN HA . 15473 1 186 . 1 1 24 24 ASN HB2 H 1 2.80 0.02 . 1 . . . . 24 ASN HB2 . 15473 1 187 . 1 1 24 24 ASN C C 13 174.9 0.3 . 1 . . . . 24 ASN C . 15473 1 188 . 1 1 24 24 ASN CA C 13 53.2 0.3 . 1 . . . . 24 ASN CA . 15473 1 189 . 1 1 24 24 ASN CB C 13 39.0 0.3 . 1 . . . . 24 ASN CB . 15473 1 190 . 1 1 24 24 ASN N N 15 119.1 0.3 . 1 . . . . 24 ASN N . 15473 1 191 . 1 1 25 25 ALA H H 1 8.20 0.02 . 1 . . . . 25 ALA H . 15473 1 192 . 1 1 25 25 ALA HA H 1 4.34 0.02 . 1 . . . . 25 ALA HA . 15473 1 193 . 1 1 25 25 ALA HB1 H 1 1.40 0.02 . 1 . . . . 25 ALA HB . 15473 1 194 . 1 1 25 25 ALA HB2 H 1 1.40 0.02 . 1 . . . . 25 ALA HB . 15473 1 195 . 1 1 25 25 ALA HB3 H 1 1.40 0.02 . 1 . . . . 25 ALA HB . 15473 1 196 . 1 1 25 25 ALA C C 13 177.6 0.3 . 1 . . . . 25 ALA C . 15473 1 197 . 1 1 25 25 ALA CA C 13 52.7 0.3 . 1 . . . . 25 ALA CA . 15473 1 198 . 1 1 25 25 ALA CB C 13 19.2 0.3 . 1 . . . . 25 ALA CB . 15473 1 199 . 1 1 25 25 ALA N N 15 123.6 0.3 . 1 . . . . 25 ALA N . 15473 1 200 . 1 1 26 26 VAL H H 1 8.01 0.02 . 1 . . . . 26 VAL H . 15473 1 201 . 1 1 26 26 VAL HA H 1 4.10 0.02 . 1 . . . . 26 VAL HA . 15473 1 202 . 1 1 26 26 VAL HB H 1 2.06 0.02 . 1 . . . . 26 VAL HB . 15473 1 203 . 1 1 26 26 VAL HG21 H 1 0.94 0.02 . 1 . . . . 26 VAL HG2 . 15473 1 204 . 1 1 26 26 VAL HG22 H 1 0.94 0.02 . 1 . . . . 26 VAL HG2 . 15473 1 205 . 1 1 26 26 VAL HG23 H 1 0.94 0.02 . 1 . . . . 26 VAL HG2 . 15473 1 206 . 1 1 26 26 VAL C C 13 176.3 0.3 . 1 . . . . 26 VAL C . 15473 1 207 . 1 1 26 26 VAL CA C 13 62.3 0.3 . 1 . . . . 26 VAL CA . 15473 1 208 . 1 1 26 26 VAL CB C 13 32.9 0.3 . 1 . . . . 26 VAL CB . 15473 1 209 . 1 1 26 26 VAL N N 15 119.0 0.3 . 1 . . . . 26 VAL N . 15473 1 210 . 1 1 27 27 VAL H H 1 8.10 0.02 . 1 . . . . 27 VAL H . 15473 1 211 . 1 1 27 27 VAL HA H 1 4.08 0.02 . 1 . . . . 27 VAL HA . 15473 1 212 . 1 1 27 27 VAL HB H 1 1.96 0.02 . 1 . . . . 27 VAL HB . 15473 1 213 . 1 1 27 27 VAL HG11 H 1 0.90 0.02 . 1 . . . . 27 VAL HG1 . 15473 1 214 . 1 1 27 27 VAL HG12 H 1 0.90 0.02 . 1 . . . . 27 VAL HG1 . 15473 1 215 . 1 1 27 27 VAL HG13 H 1 0.90 0.02 . 1 . . . . 27 VAL HG1 . 15473 1 216 . 1 1 27 27 VAL HG21 H 1 0.84 0.02 . 1 . . . . 27 VAL HG2 . 15473 1 217 . 1 1 27 27 VAL HG22 H 1 0.84 0.02 . 1 . . . . 27 VAL HG2 . 15473 1 218 . 1 1 27 27 VAL HG23 H 1 0.84 0.02 . 1 . . . . 27 VAL HG2 . 15473 1 219 . 1 1 27 27 VAL C C 13 176.0 0.3 . 1 . . . . 27 VAL C . 15473 1 220 . 1 1 27 27 VAL CA C 13 62.3 0.3 . 1 . . . . 27 VAL CA . 15473 1 221 . 1 1 27 27 VAL CB C 13 32.9 0.3 . 1 . . . . 27 VAL CB . 15473 1 222 . 1 1 27 27 VAL N N 15 123.8 0.3 . 1 . . . . 27 VAL N . 15473 1 223 . 1 1 28 28 GLN H H 1 8.33 0.02 . 1 . . . . 28 GLN H . 15473 1 224 . 1 1 28 28 GLN HA H 1 4.34 0.02 . 1 . . . . 28 GLN HA . 15473 1 225 . 1 1 28 28 GLN HB3 H 1 1.90 0.02 . 1 . . . . 28 GLN HB3 . 15473 1 226 . 1 1 28 28 GLN HG2 H 1 2.26 0.02 . 1 . . . . 28 GLN HG2 . 15473 1 227 . 1 1 28 28 GLN C C 13 175.5 0.3 . 1 . . . . 28 GLN C . 15473 1 228 . 1 1 28 28 GLN CA C 13 55.7 0.3 . 1 . . . . 28 GLN CA . 15473 1 229 . 1 1 28 28 GLN CB C 13 29.6 0.3 . 1 . . . . 28 GLN CB . 15473 1 230 . 1 1 28 28 GLN N N 15 123.7 0.3 . 1 . . . . 28 GLN N . 15473 1 231 . 1 1 29 29 PHE H H 1 8.22 0.02 . 1 . . . . 29 PHE H . 15473 1 232 . 1 1 29 29 PHE HA H 1 4.65 0.02 . 1 . . . . 29 PHE HA . 15473 1 233 . 1 1 29 29 PHE HB2 H 1 3.14 0.02 . 2 . . . . 29 PHE HB2 . 15473 1 234 . 1 1 29 29 PHE HB3 H 1 2.99 0.02 . 2 . . . . 29 PHE HB3 . 15473 1 235 . 1 1 29 29 PHE C C 13 175.3 0.3 . 1 . . . . 29 PHE C . 15473 1 236 . 1 1 29 29 PHE CA C 13 57.5 0.3 . 1 . . . . 29 PHE CA . 15473 1 237 . 1 1 29 29 PHE CB C 13 39.9 0.3 . 1 . . . . 29 PHE CB . 15473 1 238 . 1 1 29 29 PHE N N 15 121.5 0.3 . 1 . . . . 29 PHE N . 15473 1 239 . 1 1 30 30 LYS H H 1 8.29 0.02 . 1 . . . . 30 LYS H . 15473 1 240 . 1 1 30 30 LYS HA H 1 4.36 0.02 . 1 . . . . 30 LYS HA . 15473 1 241 . 1 1 30 30 LYS HB3 H 1 1.68 0.02 . 1 . . . . 30 LYS HB3 . 15473 1 242 . 1 1 30 30 LYS HG2 H 1 1.34 0.02 . 1 . . . . 30 LYS HG2 . 15473 1 243 . 1 1 30 30 LYS C C 13 176.0 0.3 . 1 . . . . 30 LYS C . 15473 1 244 . 1 1 30 30 LYS CA C 13 56.2 0.3 . 1 . . . . 30 LYS CA . 15473 1 245 . 1 1 30 30 LYS CB C 13 33.5 0.3 . 1 . . . . 30 LYS CB . 15473 1 246 . 1 1 30 30 LYS N N 15 123.0 0.3 . 1 . . . . 30 LYS N . 15473 1 247 . 1 1 31 31 ILE H H 1 8.19 0.02 . 1 . . . . 31 ILE H . 15473 1 248 . 1 1 31 31 ILE HA H 1 4.20 0.02 . 1 . . . . 31 ILE HA . 15473 1 249 . 1 1 31 31 ILE HB H 1 1.81 0.02 . 1 . . . . 31 ILE HB . 15473 1 250 . 1 1 31 31 ILE HD11 H 1 0.86 0.02 . 1 . . . . 31 ILE HD1 . 15473 1 251 . 1 1 31 31 ILE HD12 H 1 0.86 0.02 . 1 . . . . 31 ILE HD1 . 15473 1 252 . 1 1 31 31 ILE HD13 H 1 0.86 0.02 . 1 . . . . 31 ILE HD1 . 15473 1 253 . 1 1 31 31 ILE HG12 H 1 1.42 0.02 . 2 . . . . 31 ILE HG12 . 15473 1 254 . 1 1 31 31 ILE HG13 H 1 1.16 0.02 . 2 . . . . 31 ILE HG13 . 15473 1 255 . 1 1 31 31 ILE HG21 H 1 0.89 0.02 . 1 . . . . 31 ILE HG2 . 15473 1 256 . 1 1 31 31 ILE HG22 H 1 0.89 0.02 . 1 . . . . 31 ILE HG2 . 15473 1 257 . 1 1 31 31 ILE HG23 H 1 0.89 0.02 . 1 . . . . 31 ILE HG2 . 15473 1 258 . 1 1 31 31 ILE C C 13 176.0 0.3 . 1 . . . . 31 ILE C . 15473 1 259 . 1 1 31 31 ILE CA C 13 61.0 0.3 . 1 . . . . 31 ILE CA . 15473 1 260 . 1 1 31 31 ILE CB C 13 38.9 0.3 . 1 . . . . 31 ILE CB . 15473 1 261 . 1 1 31 31 ILE N N 15 122.3 0.3 . 1 . . . . 31 ILE N . 15473 1 262 . 1 1 32 32 LYS H H 1 8.46 0.02 . 1 . . . . 32 LYS H . 15473 1 263 . 1 1 32 32 LYS HA H 1 4.36 0.02 . 1 . . . . 32 LYS HA . 15473 1 264 . 1 1 32 32 LYS HB3 H 1 1.74 0.02 . 1 . . . . 32 LYS HB3 . 15473 1 265 . 1 1 32 32 LYS HG2 H 1 1.42 0.02 . 2 . . . . 32 LYS HG2 . 15473 1 266 . 1 1 32 32 LYS HG3 H 1 1.25 0.02 . 2 . . . . 32 LYS HG3 . 15473 1 267 . 1 1 32 32 LYS C C 13 176.2 0.3 . 1 . . . . 32 LYS C . 15473 1 268 . 1 1 32 32 LYS CA C 13 56.1 0.3 . 1 . . . . 32 LYS CA . 15473 1 269 . 1 1 32 32 LYS CB C 13 32.9 0.3 . 1 . . . . 32 LYS CB . 15473 1 270 . 1 1 32 32 LYS N N 15 126.4 0.3 . 1 . . . . 32 LYS N . 15473 1 271 . 1 1 33 33 LYS H H 1 8.40 0.02 . 1 . . . . 33 LYS H . 15473 1 272 . 1 1 33 33 LYS HA H 1 4.34 0.02 . 1 . . . . 33 LYS HA . 15473 1 273 . 1 1 33 33 LYS HB3 H 1 1.76 0.02 . 1 . . . . 33 LYS HB3 . 15473 1 274 . 1 1 33 33 LYS HG2 H 1 1.46 0.02 . 1 . . . . 33 LYS HG2 . 15473 1 275 . 1 1 33 33 LYS C C 13 176.6 0.3 . 1 . . . . 33 LYS C . 15473 1 276 . 1 1 33 33 LYS CA C 13 55.9 0.3 . 1 . . . . 33 LYS CA . 15473 1 277 . 1 1 33 33 LYS CB C 13 32.4 0.3 . 1 . . . . 33 LYS CB . 15473 1 278 . 1 1 33 33 LYS N N 15 123.4 0.3 . 1 . . . . 33 LYS N . 15473 1 279 . 1 1 34 34 HIS H H 1 8.22 0.02 . 1 . . . . 34 HIS H . 15473 1 280 . 1 1 34 34 HIS HA H 1 4.65 0.02 . 1 . . . . 34 HIS HA . 15473 1 281 . 1 1 34 34 HIS C C 13 175.0 0.3 . 1 . . . . 34 HIS C . 15473 1 282 . 1 1 34 34 HIS CA C 13 55.6 0.3 . 1 . . . . 34 HIS CA . 15473 1 283 . 1 1 34 34 HIS CB C 13 30.9 0.3 . 1 . . . . 34 HIS CB . 15473 1 284 . 1 1 34 34 HIS N N 15 121.2 0.3 . 1 . . . . 34 HIS N . 15473 1 285 . 1 1 35 35 THR H H 1 8.32 0.02 . 1 . . . . 35 THR H . 15473 1 286 . 1 1 35 35 THR HA H 1 4.28 0.02 . 1 . . . . 35 THR HA . 15473 1 287 . 1 1 35 35 THR HB H 1 3.96 0.02 . 1 . . . . 35 THR HB . 15473 1 288 . 1 1 35 35 THR HG21 H 1 1.93 0.02 . 1 . . . . 35 THR HG2 . 15473 1 289 . 1 1 35 35 THR HG22 H 1 1.93 0.02 . 1 . . . . 35 THR HG2 . 15473 1 290 . 1 1 35 35 THR HG23 H 1 1.93 0.02 . 1 . . . . 35 THR HG2 . 15473 1 291 . 1 1 35 35 THR C C 13 174.8 0.3 . 1 . . . . 35 THR C . 15473 1 292 . 1 1 35 35 THR CA C 13 60.4 0.3 . 1 . . . . 35 THR CA . 15473 1 293 . 1 1 35 35 THR CB C 13 69.9 0.3 . 1 . . . . 35 THR CB . 15473 1 294 . 1 1 35 35 THR N N 15 119.1 0.3 . 1 . . . . 35 THR N . 15473 1 295 . 1 1 36 36 PRO HA H 1 4.41 0.02 . 1 . . . . 36 PRO HA . 15473 1 296 . 1 1 36 36 PRO C C 13 176.6 0.3 . 1 . . . . 36 PRO C . 15473 1 297 . 1 1 36 36 PRO CA C 13 63.0 0.3 . 1 . . . . 36 PRO CA . 15473 1 298 . 1 1 36 36 PRO CB C 13 32.4 0.3 . 1 . . . . 36 PRO CB . 15473 1 299 . 1 1 36 36 PRO N N 15 120.3 0.3 . 1 . . . . 36 PRO N . 15473 1 300 . 1 1 37 37 LEU H H 1 8.35 0.02 . 1 . . . . 37 LEU H . 15473 1 301 . 1 1 37 37 LEU HA H 1 4.33 0.02 . 1 . . . . 37 LEU HA . 15473 1 302 . 1 1 37 37 LEU HB2 H 1 1.59 0.02 . 1 . . . . 37 LEU HB2 . 15473 1 303 . 1 1 37 37 LEU HD21 H 1 0.87 0.02 . 1 . . . . 37 LEU HD2 . 15473 1 304 . 1 1 37 37 LEU HD22 H 1 0.87 0.02 . 1 . . . . 37 LEU HD2 . 15473 1 305 . 1 1 37 37 LEU HD23 H 1 0.87 0.02 . 1 . . . . 37 LEU HD2 . 15473 1 306 . 1 1 37 37 LEU C C 13 176.1 0.3 . 1 . . . . 37 LEU C . 15473 1 307 . 1 1 37 37 LEU CA C 13 55.4 0.3 . 1 . . . . 37 LEU CA . 15473 1 308 . 1 1 37 37 LEU CB C 13 42.6 0.3 . 1 . . . . 37 LEU CB . 15473 1 309 . 1 1 37 37 LEU N N 15 123.0 0.3 . 1 . . . . 37 LEU N . 15473 1 310 . 1 1 38 38 ARG H H 1 8.44 0.02 . 1 . . . . 38 ARG H . 15473 1 311 . 1 1 38 38 ARG HA H 1 4.37 0.02 . 1 . . . . 38 ARG HA . 15473 1 312 . 1 1 38 38 ARG HB2 H 1 1.79 0.02 . 2 . . . . 38 ARG HB2 . 15473 1 313 . 1 1 38 38 ARG HB3 H 1 1.71 0.02 . 2 . . . . 38 ARG HB3 . 15473 1 314 . 1 1 38 38 ARG HG2 H 1 1.59 0.02 . 2 . . . . 38 ARG HG2 . 15473 1 315 . 1 1 38 38 ARG HG3 H 1 1.51 0.02 . 2 . . . . 38 ARG HG3 . 15473 1 316 . 1 1 38 38 ARG C C 13 176.1 0.3 . 1 . . . . 38 ARG C . 15473 1 317 . 1 1 38 38 ARG CA C 13 56.0 0.3 . 1 . . . . 38 ARG CA . 15473 1 318 . 1 1 38 38 ARG CB C 13 31.0 0.3 . 1 . . . . 38 ARG CB . 15473 1 319 . 1 1 38 38 ARG N N 15 122.5 0.3 . 1 . . . . 38 ARG N . 15473 1 320 . 1 1 39 39 LYS H H 1 8.41 0.02 . 1 . . . . 39 LYS H . 15473 1 321 . 1 1 39 39 LYS HA H 1 4.35 0.02 . 1 . . . . 39 LYS HA . 15473 1 322 . 1 1 39 39 LYS HB3 H 1 1.74 0.02 . 1 . . . . 39 LYS HB3 . 15473 1 323 . 1 1 39 39 LYS HG2 H 1 1.40 0.02 . 1 . . . . 39 LYS HG2 . 15473 1 324 . 1 1 39 39 LYS C C 13 176.2 0.3 . 1 . . . . 39 LYS C . 15473 1 325 . 1 1 39 39 LYS CA C 13 56.2 0.3 . 1 . . . . 39 LYS CA . 15473 1 326 . 1 1 39 39 LYS CB C 13 33.2 0.3 . 1 . . . . 39 LYS CB . 15473 1 327 . 1 1 39 39 LYS N N 15 123.1 0.3 . 1 . . . . 39 LYS N . 15473 1 328 . 1 1 40 40 LEU H H 1 8.36 0.02 . 1 . . . . 40 LEU H . 15473 1 329 . 1 1 40 40 LEU HA H 1 4.35 0.02 . 1 . . . . 40 LEU HA . 15473 1 330 . 1 1 40 40 LEU HB2 H 1 1.61 0.02 . 1 . . . . 40 LEU HB2 . 15473 1 331 . 1 1 40 40 LEU HD21 H 1 0.87 0.02 . 1 . . . . 40 LEU HD2 . 15473 1 332 . 1 1 40 40 LEU HD22 H 1 0.87 0.02 . 1 . . . . 40 LEU HD2 . 15473 1 333 . 1 1 40 40 LEU HD23 H 1 0.87 0.02 . 1 . . . . 40 LEU HD2 . 15473 1 334 . 1 1 40 40 LEU C C 13 175.7 0.3 . 1 . . . . 40 LEU C . 15473 1 335 . 1 1 40 40 LEU CA C 13 55.8 0.3 . 1 . . . . 40 LEU CA . 15473 1 336 . 1 1 40 40 LEU CB C 13 42.5 0.3 . 1 . . . . 40 LEU CB . 15473 1 337 . 1 1 40 40 LEU N N 15 124.1 0.3 . 1 . . . . 40 LEU N . 15473 1 338 . 1 1 41 41 MET H H 1 8.47 0.02 . 1 . . . . 41 MET H . 15473 1 339 . 1 1 41 41 MET HA H 1 4.52 0.02 . 1 . . . . 41 MET HA . 15473 1 340 . 1 1 41 41 MET HB2 H 1 2.01 0.02 . 1 . . . . 41 MET HB2 . 15473 1 341 . 1 1 41 41 MET HG2 H 1 2.74 0.02 . 2 . . . . 41 MET HG2 . 15473 1 342 . 1 1 41 41 MET HG3 H 1 2.64 0.02 . 2 . . . . 41 MET HG3 . 15473 1 343 . 1 1 41 41 MET C C 13 175.8 0.3 . 1 . . . . 41 MET C . 15473 1 344 . 1 1 41 41 MET CA C 13 55.7 0.3 . 1 . . . . 41 MET CA . 15473 1 345 . 1 1 41 41 MET CB C 13 32.9 0.3 . 1 . . . . 41 MET CB . 15473 1 346 . 1 1 41 41 MET N N 15 121.2 0.3 . 1 . . . . 41 MET N . 15473 1 347 . 1 1 42 42 ASN H H 1 8.45 0.02 . 1 . . . . 42 ASN H . 15473 1 348 . 1 1 42 42 ASN HA H 1 4.71 0.02 . 1 . . . . 42 ASN HA . 15473 1 349 . 1 1 42 42 ASN HB2 H 1 2.77 0.02 . 1 . . . . 42 ASN HB2 . 15473 1 350 . 1 1 42 42 ASN C C 13 175.8 0.3 . 1 . . . . 42 ASN C . 15473 1 351 . 1 1 42 42 ASN CA C 13 53.2 0.3 . 1 . . . . 42 ASN CA . 15473 1 352 . 1 1 42 42 ASN CB C 13 39.1 0.3 . 1 . . . . 42 ASN CB . 15473 1 353 . 1 1 42 42 ASN N N 15 119.8 0.3 . 1 . . . . 42 ASN N . 15473 1 354 . 1 1 43 43 ALA H H 1 8.27 0.02 . 1 . . . . 43 ALA H . 15473 1 355 . 1 1 43 43 ALA HA H 1 4.32 0.02 . 1 . . . . 43 ALA HA . 15473 1 356 . 1 1 43 43 ALA HB1 H 1 1.31 0.02 . 1 . . . . 43 ALA HB . 15473 1 357 . 1 1 43 43 ALA HB2 H 1 1.31 0.02 . 1 . . . . 43 ALA HB . 15473 1 358 . 1 1 43 43 ALA HB3 H 1 1.31 0.02 . 1 . . . . 43 ALA HB . 15473 1 359 . 1 1 43 43 ALA C C 13 177.2 0.3 . 1 . . . . 43 ALA C . 15473 1 360 . 1 1 43 43 ALA CA C 13 52.6 0.3 . 1 . . . . 43 ALA CA . 15473 1 361 . 1 1 43 43 ALA CB C 13 19.4 0.3 . 1 . . . . 43 ALA CB . 15473 1 362 . 1 1 43 43 ALA N N 15 124.0 0.3 . 1 . . . . 43 ALA N . 15473 1 363 . 1 1 44 44 TYR H H 1 8.18 0.02 . 1 . . . . 44 TYR H . 15473 1 364 . 1 1 44 44 TYR HA H 1 4.54 0.02 . 1 . . . . 44 TYR HA . 15473 1 365 . 1 1 44 44 TYR HB3 H 1 3.01 0.02 . 1 . . . . 44 TYR HB3 . 15473 1 366 . 1 1 44 44 TYR C C 13 175.9 0.3 . 1 . . . . 44 TYR C . 15473 1 367 . 1 1 44 44 TYR CA C 13 58.4 0.3 . 1 . . . . 44 TYR CA . 15473 1 368 . 1 1 44 44 TYR CB C 13 38.8 0.3 . 1 . . . . 44 TYR CB . 15473 1 369 . 1 1 44 44 TYR N N 15 118.9 0.3 . 1 . . . . 44 TYR N . 15473 1 370 . 1 1 45 45 CYS H H 1 8.20 0.02 . 1 . . . . 45 CYS H . 15473 1 371 . 1 1 45 45 CYS HA H 1 4.52 0.02 . 1 . . . . 45 CYS HA . 15473 1 372 . 1 1 45 45 CYS HB2 H 1 3.30 0.02 . 2 . . . . 45 CYS HB2 . 15473 1 373 . 1 1 45 45 CYS HB3 H 1 3.16 0.02 . 2 . . . . 45 CYS HB3 . 15473 1 374 . 1 1 45 45 CYS C C 13 175.6 0.3 . 1 . . . . 45 CYS C . 15473 1 375 . 1 1 45 45 CYS CA C 13 56.7 0.3 . 1 . . . . 45 CYS CA . 15473 1 376 . 1 1 45 45 CYS CB C 13 33.4 0.3 . 1 . . . . 45 CYS CB . 15473 1 377 . 1 1 45 45 CYS N N 15 119.4 0.3 . 1 . . . . 45 CYS N . 15473 1 378 . 1 1 46 46 ASP H H 1 8.30 0.02 . 1 . . . . 46 ASP H . 15473 1 379 . 1 1 46 46 ASP HA H 1 4.64 0.02 . 1 . . . . 46 ASP HA . 15473 1 380 . 1 1 46 46 ASP HB2 H 1 2.71 0.02 . 1 . . . . 46 ASP HB2 . 15473 1 381 . 1 1 46 46 ASP C C 13 176.2 0.3 . 1 . . . . 46 ASP C . 15473 1 382 . 1 1 46 46 ASP CA C 13 54.4 0.3 . 1 . . . . 46 ASP CA . 15473 1 383 . 1 1 46 46 ASP CB C 13 41.3 0.3 . 1 . . . . 46 ASP CB . 15473 1 384 . 1 1 46 46 ASP N N 15 122.4 0.3 . 1 . . . . 46 ASP N . 15473 1 385 . 1 1 47 47 ARG H H 1 8.19 0.02 . 1 . . . . 47 ARG H . 15473 1 386 . 1 1 47 47 ARG HA H 1 4.34 0.02 . 1 . . . . 47 ARG HA . 15473 1 387 . 1 1 47 47 ARG HB2 H 1 1.92 0.02 . 2 . . . . 47 ARG HB2 . 15473 1 388 . 1 1 47 47 ARG HB3 H 1 1.76 0.02 . 2 . . . . 47 ARG HB3 . 15473 1 389 . 1 1 47 47 ARG HG2 H 1 1.66 0.02 . 1 . . . . 47 ARG HG2 . 15473 1 390 . 1 1 47 47 ARG C C 13 176.2 0.3 . 1 . . . . 47 ARG C . 15473 1 391 . 1 1 47 47 ARG CA C 13 56.3 0.3 . 1 . . . . 47 ARG CA . 15473 1 392 . 1 1 47 47 ARG CB C 13 30.7 0.3 . 1 . . . . 47 ARG CB . 15473 1 393 . 1 1 47 47 ARG N N 15 121.0 0.3 . 1 . . . . 47 ARG N . 15473 1 394 . 1 1 48 48 ALA H H 1 8.28 0.02 . 1 . . . . 48 ALA H . 15473 1 395 . 1 1 48 48 ALA HA H 1 4.36 0.02 . 1 . . . . 48 ALA HA . 15473 1 396 . 1 1 48 48 ALA HB1 H 1 1.30 0.02 . 1 . . . . 48 ALA HB . 15473 1 397 . 1 1 48 48 ALA HB2 H 1 1.30 0.02 . 1 . . . . 48 ALA HB . 15473 1 398 . 1 1 48 48 ALA HB3 H 1 1.30 0.02 . 1 . . . . 48 ALA HB . 15473 1 399 . 1 1 48 48 ALA C C 13 178.3 0.3 . 1 . . . . 48 ALA C . 15473 1 400 . 1 1 48 48 ALA CA C 13 52.8 0.3 . 1 . . . . 48 ALA CA . 15473 1 401 . 1 1 48 48 ALA CB C 13 19.2 0.3 . 1 . . . . 48 ALA CB . 15473 1 402 . 1 1 48 48 ALA N N 15 124.0 0.3 . 1 . . . . 48 ALA N . 15473 1 403 . 1 1 49 49 GLY H H 1 8.27 0.02 . 1 . . . . 49 GLY H . 15473 1 404 . 1 1 49 49 GLY HA2 H 1 3.99 0.02 . 1 . . . . 49 GLY HA2 . 15473 1 405 . 1 1 49 49 GLY C C 13 174.3 0.3 . 1 . . . . 49 GLY C . 15473 1 406 . 1 1 49 49 GLY CA C 13 45.6 0.3 . 1 . . . . 49 GLY CA . 15473 1 407 . 1 1 49 49 GLY N N 15 107.6 0.3 . 1 . . . . 49 GLY N . 15473 1 408 . 1 1 50 50 LEU H H 1 8.05 0.02 . 1 . . . . 50 LEU H . 15473 1 409 . 1 1 50 50 LEU HA H 1 4.42 0.02 . 1 . . . . 50 LEU HA . 15473 1 410 . 1 1 50 50 LEU HB2 H 1 1.63 0.02 . 1 . . . . 50 LEU HB2 . 15473 1 411 . 1 1 50 50 LEU C C 13 177.7 0.3 . 1 . . . . 50 LEU C . 15473 1 412 . 1 1 50 50 LEU CA C 13 55.1 0.3 . 1 . . . . 50 LEU CA . 15473 1 413 . 1 1 50 50 LEU CB C 13 42.7 0.3 . 1 . . . . 50 LEU CB . 15473 1 414 . 1 1 50 50 LEU N N 15 121.3 0.3 . 1 . . . . 50 LEU N . 15473 1 415 . 1 1 51 51 SER H H 1 8.37 0.02 . 1 . . . . 51 SER H . 15473 1 416 . 1 1 51 51 SER HA H 1 4.50 0.02 . 1 . . . . 51 SER HA . 15473 1 417 . 1 1 51 51 SER HB2 H 1 3.90 0.02 . 1 . . . . 51 SER HB2 . 15473 1 418 . 1 1 51 51 SER C C 13 174.8 0.3 . 1 . . . . 51 SER C . 15473 1 419 . 1 1 51 51 SER CA C 13 58.4 0.3 . 1 . . . . 51 SER CA . 15473 1 420 . 1 1 51 51 SER CB C 13 63.9 0.3 . 1 . . . . 51 SER CB . 15473 1 421 . 1 1 51 51 SER N N 15 116.2 0.3 . 1 . . . . 51 SER N . 15473 1 422 . 1 1 52 52 MET H H 1 8.37 0.02 . 1 . . . . 52 MET H . 15473 1 423 . 1 1 52 52 MET HA H 1 4.54 0.02 . 1 . . . . 52 MET HA . 15473 1 424 . 1 1 52 52 MET HB2 H 1 2.11 0.02 . 2 . . . . 52 MET HB2 . 15473 1 425 . 1 1 52 52 MET HB3 H 1 1.99 0.02 . 2 . . . . 52 MET HB3 . 15473 1 426 . 1 1 52 52 MET HG2 H 1 2.38 0.02 . 1 . . . . 52 MET HG2 . 15473 1 427 . 1 1 52 52 MET C C 13 175.7 0.3 . 1 . . . . 52 MET C . 15473 1 428 . 1 1 52 52 MET CA C 13 56.7 0.3 . 1 . . . . 52 MET CA . 15473 1 429 . 1 1 52 52 MET CB C 13 33.1 0.3 . 1 . . . . 52 MET CB . 15473 1 430 . 1 1 52 52 MET N N 15 121.9 0.3 . 1 . . . . 52 MET N . 15473 1 431 . 1 1 53 53 GLN H H 1 8.30 0.02 . 1 . . . . 53 GLN H . 15473 1 432 . 1 1 53 53 GLN HA H 1 4.34 0.02 . 1 . . . . 53 GLN HA . 15473 1 433 . 1 1 53 53 GLN HB2 H 1 2.06 0.02 . 2 . . . . 53 GLN HB2 . 15473 1 434 . 1 1 53 53 GLN HB3 H 1 1.95 0.02 . 2 . . . . 53 GLN HB3 . 15473 1 435 . 1 1 53 53 GLN HG2 H 1 2.31 0.02 . 1 . . . . 53 GLN HG2 . 15473 1 436 . 1 1 53 53 GLN C C 13 175.9 0.3 . 1 . . . . 53 GLN C . 15473 1 437 . 1 1 53 53 GLN CA C 13 56.0 0.3 . 1 . . . . 53 GLN CA . 15473 1 438 . 1 1 53 53 GLN CB C 13 29.7 0.3 . 1 . . . . 53 GLN CB . 15473 1 439 . 1 1 53 53 GLN N N 15 122.2 0.3 . 1 . . . . 53 GLN N . 15473 1 440 . 1 1 54 54 VAL H H 1 8.17 0.02 . 1 . . . . 54 VAL H . 15473 1 441 . 1 1 54 54 VAL HA H 1 4.15 0.02 . 1 . . . . 54 VAL HA . 15473 1 442 . 1 1 54 54 VAL HB H 1 2.03 0.02 . 1 . . . . 54 VAL HB . 15473 1 443 . 1 1 54 54 VAL HG11 H 1 0.91 0.02 . 1 . . . . 54 VAL HG1 . 15473 1 444 . 1 1 54 54 VAL HG12 H 1 0.91 0.02 . 1 . . . . 54 VAL HG1 . 15473 1 445 . 1 1 54 54 VAL HG13 H 1 0.91 0.02 . 1 . . . . 54 VAL HG1 . 15473 1 446 . 1 1 54 54 VAL HG21 H 1 0.83 0.02 . 1 . . . . 54 VAL HG2 . 15473 1 447 . 1 1 54 54 VAL HG22 H 1 0.83 0.02 . 1 . . . . 54 VAL HG2 . 15473 1 448 . 1 1 54 54 VAL HG23 H 1 0.83 0.02 . 1 . . . . 54 VAL HG2 . 15473 1 449 . 1 1 54 54 VAL C C 13 175.8 0.3 . 1 . . . . 54 VAL C . 15473 1 450 . 1 1 54 54 VAL CA C 13 62.6 0.3 . 1 . . . . 54 VAL CA . 15473 1 451 . 1 1 54 54 VAL CB C 13 32.9 0.3 . 1 . . . . 54 VAL CB . 15473 1 452 . 1 1 54 54 VAL N N 15 121.7 0.3 . 1 . . . . 54 VAL N . 15473 1 453 . 1 1 55 55 VAL H H 1 8.21 0.02 . 1 . . . . 55 VAL H . 15473 1 454 . 1 1 55 55 VAL HA H 1 4.15 0.02 . 1 . . . . 55 VAL HA . 15473 1 455 . 1 1 55 55 VAL HB H 1 1.93 0.02 . 1 . . . . 55 VAL HB . 15473 1 456 . 1 1 55 55 VAL HG11 H 1 0.90 0.02 . 1 . . . . 55 VAL HG1 . 15473 1 457 . 1 1 55 55 VAL HG12 H 1 0.90 0.02 . 1 . . . . 55 VAL HG1 . 15473 1 458 . 1 1 55 55 VAL HG13 H 1 0.90 0.02 . 1 . . . . 55 VAL HG1 . 15473 1 459 . 1 1 55 55 VAL HG21 H 1 0.80 0.02 . 1 . . . . 55 VAL HG2 . 15473 1 460 . 1 1 55 55 VAL HG22 H 1 0.80 0.02 . 1 . . . . 55 VAL HG2 . 15473 1 461 . 1 1 55 55 VAL HG23 H 1 0.80 0.02 . 1 . . . . 55 VAL HG2 . 15473 1 462 . 1 1 55 55 VAL C C 13 175.7 0.3 . 1 . . . . 55 VAL C . 15473 1 463 . 1 1 55 55 VAL CA C 13 62.1 0.3 . 1 . . . . 55 VAL CA . 15473 1 464 . 1 1 55 55 VAL CB C 13 32.9 0.3 . 1 . . . . 55 VAL CB . 15473 1 465 . 1 1 55 55 VAL N N 15 124.5 0.3 . 1 . . . . 55 VAL N . 15473 1 466 . 1 1 56 56 ARG H H 1 8.34 0.02 . 1 . . . . 56 ARG H . 15473 1 467 . 1 1 56 56 ARG HA H 1 4.37 0.02 . 1 . . . . 56 ARG HA . 15473 1 468 . 1 1 56 56 ARG HB2 H 1 1.66 0.02 . 2 . . . . 56 ARG HB2 . 15473 1 469 . 1 1 56 56 ARG HB3 H 1 1.49 0.02 . 2 . . . . 56 ARG HB3 . 15473 1 470 . 1 1 56 56 ARG C C 13 175.5 0.3 . 1 . . . . 56 ARG C . 15473 1 471 . 1 1 56 56 ARG CA C 13 55.9 0.3 . 1 . . . . 56 ARG CA . 15473 1 472 . 1 1 56 56 ARG CB C 13 31.5 0.3 . 1 . . . . 56 ARG CB . 15473 1 473 . 1 1 56 56 ARG N N 15 124.8 0.3 . 1 . . . . 56 ARG N . 15473 1 474 . 1 1 57 57 PHE H H 1 8.29 0.02 . 1 . . . . 57 PHE H . 15473 1 475 . 1 1 57 57 PHE HA H 1 4.68 0.02 . 1 . . . . 57 PHE HA . 15473 1 476 . 1 1 57 57 PHE HB3 H 1 2.92 0.02 . 1 . . . . 57 PHE HB3 . 15473 1 477 . 1 1 57 57 PHE C C 13 175.4 0.3 . 1 . . . . 57 PHE C . 15473 1 478 . 1 1 57 57 PHE CA C 13 57.5 0.3 . 1 . . . . 57 PHE CA . 15473 1 479 . 1 1 57 57 PHE CB C 13 40.1 0.3 . 1 . . . . 57 PHE CB . 15473 1 480 . 1 1 57 57 PHE N N 15 121.1 0.3 . 1 . . . . 57 PHE N . 15473 1 481 . 1 1 58 58 ARG H H 1 8.38 0.02 . 1 . . . . 58 ARG H . 15473 1 482 . 1 1 58 58 ARG HA H 1 4.36 0.02 . 1 . . . . 58 ARG HA . 15473 1 483 . 1 1 58 58 ARG HB2 H 1 2.00 0.02 . 2 . . . . 58 ARG HB2 . 15473 1 484 . 1 1 58 58 ARG HB3 H 1 1.72 0.02 . 2 . . . . 58 ARG HB3 . 15473 1 485 . 1 1 58 58 ARG HG2 H 1 1.48 0.02 . 1 . . . . 58 ARG HG2 . 15473 1 486 . 1 1 58 58 ARG C C 13 176.2 0.3 . 1 . . . . 58 ARG C . 15473 1 487 . 1 1 58 58 ARG CA C 13 55.9 0.3 . 1 . . . . 58 ARG CA . 15473 1 488 . 1 1 58 58 ARG CB C 13 31.6 0.3 . 1 . . . . 58 ARG CB . 15473 1 489 . 1 1 58 58 ARG N N 15 122.3 0.3 . 1 . . . . 58 ARG N . 15473 1 490 . 1 1 59 59 PHE H H 1 8.41 0.02 . 1 . . . . 59 PHE H . 15473 1 491 . 1 1 59 59 PHE HA H 1 4.63 0.02 . 1 . . . . 59 PHE HA . 15473 1 492 . 1 1 59 59 PHE HB2 H 1 3.19 0.02 . 2 . . . . 59 PHE HB2 . 15473 1 493 . 1 1 59 59 PHE HB3 H 1 3.03 0.02 . 2 . . . . 59 PHE HB3 . 15473 1 494 . 1 1 59 59 PHE C C 13 175.5 0.3 . 1 . . . . 59 PHE C . 15473 1 495 . 1 1 59 59 PHE CA C 13 58.1 0.3 . 1 . . . . 59 PHE CA . 15473 1 496 . 1 1 59 59 PHE CB C 13 39.5 0.3 . 1 . . . . 59 PHE CB . 15473 1 497 . 1 1 59 59 PHE N N 15 121.7 0.3 . 1 . . . . 59 PHE N . 15473 1 498 . 1 1 60 60 ASP H H 1 8.21 0.02 . 1 . . . . 60 ASP H . 15473 1 499 . 1 1 60 60 ASP HA H 1 4.70 0.02 . 1 . . . . 60 ASP HA . 15473 1 500 . 1 1 60 60 ASP HB2 H 1 2.64 0.02 . 1 . . . . 60 ASP HB2 . 15473 1 501 . 1 1 60 60 ASP C C 13 176.5 0.3 . 1 . . . . 60 ASP C . 15473 1 502 . 1 1 60 60 ASP CA C 13 53.9 0.3 . 1 . . . . 60 ASP CA . 15473 1 503 . 1 1 60 60 ASP CB C 13 41.1 0.3 . 1 . . . . 60 ASP CB . 15473 1 504 . 1 1 60 60 ASP N N 15 121.1 0.3 . 1 . . . . 60 ASP N . 15473 1 505 . 1 1 61 61 GLY H H 1 7.89 0.02 . 1 . . . . 61 GLY H . 15473 1 506 . 1 1 61 61 GLY HA2 H 1 3.97 0.02 . 2 . . . . 61 GLY HA2 . 15473 1 507 . 1 1 61 61 GLY HA3 H 1 3.84 0.02 . 2 . . . . 61 GLY HA3 . 15473 1 508 . 1 1 61 61 GLY C C 13 173.8 0.3 . 1 . . . . 61 GLY C . 15473 1 509 . 1 1 61 61 GLY CA C 13 45.3 0.3 . 1 . . . . 61 GLY CA . 15473 1 510 . 1 1 61 61 GLY N N 15 108.1 0.3 . 1 . . . . 61 GLY N . 15473 1 511 . 1 1 62 62 GLN H H 1 8.06 0.02 . 1 . . . . 62 GLN H . 15473 1 512 . 1 1 62 62 GLN HA H 1 4.64 0.02 . 1 . . . . 62 GLN HA . 15473 1 513 . 1 1 62 62 GLN HB3 H 1 1.91 0.02 . 1 . . . . 62 GLN HB3 . 15473 1 514 . 1 1 62 62 GLN HG2 H 1 2.35 0.02 . 1 . . . . 62 GLN HG2 . 15473 1 515 . 1 1 62 62 GLN C C 13 175.6 0.3 . 1 . . . . 62 GLN C . 15473 1 516 . 1 1 62 62 GLN CA C 13 53.7 0.3 . 1 . . . . 62 GLN CA . 15473 1 517 . 1 1 62 62 GLN CB C 13 29.1 0.3 . 1 . . . . 62 GLN CB . 15473 1 518 . 1 1 62 62 GLN N N 15 120.4 0.3 . 1 . . . . 62 GLN N . 15473 1 519 . 1 1 63 63 PRO HA H 1 4.47 0.02 . 1 . . . . 63 PRO HA . 15473 1 520 . 1 1 63 63 PRO C C 13 176.6 0.3 . 1 . . . . 63 PRO C . 15473 1 521 . 1 1 63 63 PRO CA C 13 63.3 0.3 . 1 . . . . 63 PRO CA . 15473 1 522 . 1 1 63 63 PRO CB C 13 31.9 0.3 . 1 . . . . 63 PRO CB . 15473 1 523 . 1 1 63 63 PRO N N 15 123.3 0.3 . 1 . . . . 63 PRO N . 15473 1 524 . 1 1 64 64 ILE H H 1 8.24 0.02 . 1 . . . . 64 ILE H . 15473 1 525 . 1 1 64 64 ILE HA H 1 4.15 0.02 . 1 . . . . 64 ILE HA . 15473 1 526 . 1 1 64 64 ILE HB H 1 1.80 0.02 . 1 . . . . 64 ILE HB . 15473 1 527 . 1 1 64 64 ILE HG12 H 1 1.46 0.02 . 2 . . . . 64 ILE HG12 . 15473 1 528 . 1 1 64 64 ILE HG13 H 1 1.14 0.02 . 2 . . . . 64 ILE HG13 . 15473 1 529 . 1 1 64 64 ILE HG21 H 1 0.88 0.02 . 1 . . . . 64 ILE HG2 . 15473 1 530 . 1 1 64 64 ILE HG22 H 1 0.88 0.02 . 1 . . . . 64 ILE HG2 . 15473 1 531 . 1 1 64 64 ILE HG23 H 1 0.88 0.02 . 1 . . . . 64 ILE HG2 . 15473 1 532 . 1 1 64 64 ILE C C 13 175.9 0.3 . 1 . . . . 64 ILE C . 15473 1 533 . 1 1 64 64 ILE CA C 13 61.3 0.3 . 1 . . . . 64 ILE CA . 15473 1 534 . 1 1 64 64 ILE CB C 13 39.3 0.3 . 1 . . . . 64 ILE CB . 15473 1 535 . 1 1 64 64 ILE N N 15 120.8 0.3 . 1 . . . . 64 ILE N . 15473 1 536 . 1 1 65 65 ASN H H 1 8.55 0.02 . 1 . . . . 65 ASN H . 15473 1 537 . 1 1 65 65 ASN HA H 1 4.80 0.02 . 1 . . . . 65 ASN HA . 15473 1 538 . 1 1 65 65 ASN HB2 H 1 2.88 0.02 . 2 . . . . 65 ASN HB2 . 15473 1 539 . 1 1 65 65 ASN HB3 H 1 2.76 0.02 . 2 . . . . 65 ASN HB3 . 15473 1 540 . 1 1 65 65 ASN C C 13 175.3 0.3 . 1 . . . . 65 ASN C . 15473 1 541 . 1 1 65 65 ASN CA C 13 52.9 0.3 . 1 . . . . 65 ASN CA . 15473 1 542 . 1 1 65 65 ASN CB C 13 39.2 0.3 . 1 . . . . 65 ASN CB . 15473 1 543 . 1 1 65 65 ASN N N 15 122.7 0.3 . 1 . . . . 65 ASN N . 15473 1 544 . 1 1 66 66 GLU H H 1 8.62 0.02 . 1 . . . . 66 GLU H . 15473 1 545 . 1 1 66 66 GLU HA H 1 4.30 0.02 . 1 . . . . 66 GLU HA . 15473 1 546 . 1 1 66 66 GLU HB2 H 1 2.10 0.02 . 2 . . . . 66 GLU HB2 . 15473 1 547 . 1 1 66 66 GLU HB3 H 1 1.92 0.02 . 2 . . . . 66 GLU HB3 . 15473 1 548 . 1 1 66 66 GLU HG2 H 1 2.27 0.02 . 1 . . . . 66 GLU HG2 . 15473 1 549 . 1 1 66 66 GLU C C 13 176.2 0.3 . 1 . . . . 66 GLU C . 15473 1 550 . 1 1 66 66 GLU CA C 13 57.0 0.3 . 1 . . . . 66 GLU CA . 15473 1 551 . 1 1 66 66 GLU CB C 13 30.4 0.3 . 1 . . . . 66 GLU CB . 15473 1 552 . 1 1 66 66 GLU N N 15 122.2 0.3 . 1 . . . . 66 GLU N . 15473 1 553 . 1 1 67 67 ASN H H 1 8.44 0.02 . 1 . . . . 67 ASN H . 15473 1 554 . 1 1 67 67 ASN HA H 1 4.77 0.02 . 1 . . . . 67 ASN HA . 15473 1 555 . 1 1 67 67 ASN HB2 H 1 2.88 0.02 . 2 . . . . 67 ASN HB2 . 15473 1 556 . 1 1 67 67 ASN HB3 H 1 2.76 0.02 . 2 . . . . 67 ASN HB3 . 15473 1 557 . 1 1 67 67 ASN C C 13 175.0 0.3 . 1 . . . . 67 ASN C . 15473 1 558 . 1 1 67 67 ASN CA C 13 53.4 0.3 . 1 . . . . 67 ASN CA . 15473 1 559 . 1 1 67 67 ASN CB C 13 39.2 0.3 . 1 . . . . 67 ASN CB . 15473 1 560 . 1 1 67 67 ASN N N 15 118.3 0.3 . 1 . . . . 67 ASN N . 15473 1 561 . 1 1 68 68 ASP H H 1 8.21 0.02 . 1 . . . . 68 ASP H . 15473 1 562 . 1 1 68 68 ASP HA H 1 4.71 0.02 . 1 . . . . 68 ASP HA . 15473 1 563 . 1 1 68 68 ASP HB2 H 1 2.69 0.02 . 1 . . . . 68 ASP HB2 . 15473 1 564 . 1 1 68 68 ASP C C 13 175.9 0.3 . 1 . . . . 68 ASP C . 15473 1 565 . 1 1 68 68 ASP CA C 13 54.2 0.3 . 1 . . . . 68 ASP CA . 15473 1 566 . 1 1 68 68 ASP CB C 13 41.4 0.3 . 1 . . . . 68 ASP CB . 15473 1 567 . 1 1 68 68 ASP N N 15 120.5 0.3 . 1 . . . . 68 ASP N . 15473 1 568 . 1 1 69 69 THR H H 1 8.08 0.02 . 1 . . . . 69 THR H . 15473 1 569 . 1 1 69 69 THR HA H 1 4.63 0.02 . 1 . . . . 69 THR HA . 15473 1 570 . 1 1 69 69 THR HB H 1 4.16 0.02 . 1 . . . . 69 THR HB . 15473 1 571 . 1 1 69 69 THR HG21 H 1 1.26 0.02 . 1 . . . . 69 THR HG2 . 15473 1 572 . 1 1 69 69 THR HG22 H 1 1.26 0.02 . 1 . . . . 69 THR HG2 . 15473 1 573 . 1 1 69 69 THR HG23 H 1 1.26 0.02 . 1 . . . . 69 THR HG2 . 15473 1 574 . 1 1 69 69 THR C C 13 172.9 0.3 . 1 . . . . 69 THR C . 15473 1 575 . 1 1 69 69 THR CA C 13 59.7 0.3 . 1 . . . . 69 THR CA . 15473 1 576 . 1 1 69 69 THR CB C 13 69.8 0.3 . 1 . . . . 69 THR CB . 15473 1 577 . 1 1 69 69 THR N N 15 116.0 0.3 . 1 . . . . 69 THR N . 15473 1 578 . 1 1 70 70 PRO HA H 1 4.53 0.02 . 1 . . . . 70 PRO HA . 15473 1 579 . 1 1 70 70 PRO HB2 H 1 2.05 0.02 . 2 . . . . 70 PRO HB2 . 15473 1 580 . 1 1 70 70 PRO HB3 H 1 1.97 0.02 . 2 . . . . 70 PRO HB3 . 15473 1 581 . 1 1 70 70 PRO HD2 H 1 3.83 0.02 . 2 . . . . 70 PRO HD2 . 15473 1 582 . 1 1 70 70 PRO HD3 H 1 3.73 0.02 . 2 . . . . 70 PRO HD3 . 15473 1 583 . 1 1 70 70 PRO HG2 H 1 1.95 0.02 . 2 . . . . 70 PRO HG2 . 15473 1 584 . 1 1 70 70 PRO HG3 H 1 1.79 0.02 . 2 . . . . 70 PRO HG3 . 15473 1 585 . 1 1 70 70 PRO C C 13 177.2 0.3 . 1 . . . . 70 PRO C . 15473 1 586 . 1 1 70 70 PRO CA C 13 63.3 0.3 . 1 . . . . 70 PRO CA . 15473 1 587 . 1 1 70 70 PRO CB C 13 70.0 0.3 . 1 . . . . 70 PRO CB . 15473 1 588 . 1 1 70 70 PRO N N 15 120.3 0.3 . 1 . . . . 70 PRO N . 15473 1 589 . 1 1 71 71 THR H H 1 8.29 0.02 . 1 . . . . 71 THR H . 15473 1 590 . 1 1 71 71 THR HA H 1 4.40 0.02 . 1 . . . . 71 THR HA . 15473 1 591 . 1 1 71 71 THR HB H 1 4.24 0.02 . 1 . . . . 71 THR HB . 15473 1 592 . 1 1 71 71 THR HG21 H 1 1.27 0.02 . 1 . . . . 71 THR HG2 . 15473 1 593 . 1 1 71 71 THR HG22 H 1 1.27 0.02 . 1 . . . . 71 THR HG2 . 15473 1 594 . 1 1 71 71 THR HG23 H 1 1.27 0.02 . 1 . . . . 71 THR HG2 . 15473 1 595 . 1 1 71 71 THR C C 13 174.7 0.3 . 1 . . . . 71 THR C . 15473 1 596 . 1 1 71 71 THR CA C 13 61.9 0.3 . 1 . . . . 71 THR CA . 15473 1 597 . 1 1 71 71 THR CB C 13 70.0 0.3 . 1 . . . . 71 THR CB . 15473 1 598 . 1 1 71 71 THR N N 15 114.3 0.3 . 1 . . . . 71 THR N . 15473 1 599 . 1 1 72 72 SER H H 1 8.31 0.02 . 1 . . . . 72 SER H . 15473 1 600 . 1 1 72 72 SER HA H 1 4.54 0.02 . 1 . . . . 72 SER HA . 15473 1 601 . 1 1 72 72 SER HB2 H 1 3.90 0.02 . 1 . . . . 72 SER HB2 . 15473 1 602 . 1 1 72 72 SER C C 13 174.5 0.3 . 1 . . . . 72 SER C . 15473 1 603 . 1 1 72 72 SER CA C 13 58.1 0.3 . 1 . . . . 72 SER CA . 15473 1 604 . 1 1 72 72 SER CB C 13 64.0 0.3 . 1 . . . . 72 SER CB . 15473 1 605 . 1 1 72 72 SER N N 15 117.7 0.3 . 1 . . . . 72 SER N . 15473 1 606 . 1 1 73 73 LEU H H 1 8.31 0.02 . 1 . . . . 73 LEU H . 15473 1 607 . 1 1 73 73 LEU HA H 1 4.40 0.02 . 1 . . . . 73 LEU HA . 15473 1 608 . 1 1 73 73 LEU HB2 H 1 1.62 0.02 . 1 . . . . 73 LEU HB2 . 15473 1 609 . 1 1 73 73 LEU HG H 1 1.42 0.02 . 1 . . . . 73 LEU HG . 15473 1 610 . 1 1 73 73 LEU C C 13 177.3 0.3 . 1 . . . . 73 LEU C . 15473 1 611 . 1 1 73 73 LEU CA C 13 55.3 0.3 . 1 . . . . 73 LEU CA . 15473 1 612 . 1 1 73 73 LEU CB C 13 42.5 0.3 . 1 . . . . 73 LEU CB . 15473 1 613 . 1 1 73 73 LEU N N 15 124.1 0.3 . 1 . . . . 73 LEU N . 15473 1 614 . 1 1 74 74 GLU H H 1 8.39 0.02 . 1 . . . . 74 GLU H . 15473 1 615 . 1 1 74 74 GLU HA H 1 4.31 0.02 . 1 . . . . 74 GLU HA . 15473 1 616 . 1 1 74 74 GLU HB2 H 1 2.05 0.02 . 2 . . . . 74 GLU HB2 . 15473 1 617 . 1 1 74 74 GLU HB3 H 1 1.96 0.02 . 2 . . . . 74 GLU HB3 . 15473 1 618 . 1 1 74 74 GLU HG2 H 1 2.30 0.02 . 1 . . . . 74 GLU HG2 . 15473 1 619 . 1 1 74 74 GLU C C 13 176.4 0.3 . 1 . . . . 74 GLU C . 15473 1 620 . 1 1 74 74 GLU CA C 13 56.6 0.3 . 1 . . . . 74 GLU CA . 15473 1 621 . 1 1 74 74 GLU CB C 13 30.3 0.3 . 1 . . . . 74 GLU CB . 15473 1 622 . 1 1 74 74 GLU N N 15 121.1 0.3 . 1 . . . . 74 GLU N . 15473 1 623 . 1 1 75 75 MET H H 1 8.31 0.02 . 1 . . . . 75 MET H . 15473 1 624 . 1 1 75 75 MET HA H 1 4.52 0.02 . 1 . . . . 75 MET HA . 15473 1 625 . 1 1 75 75 MET HB2 H 1 2.10 0.02 . 2 . . . . 75 MET HB2 . 15473 1 626 . 1 1 75 75 MET HB3 H 1 2.02 0.02 . 2 . . . . 75 MET HB3 . 15473 1 627 . 1 1 75 75 MET HG2 H 1 2.57 0.02 . 1 . . . . 75 MET HG2 . 15473 1 628 . 1 1 75 75 MET C C 13 176.1 0.3 . 1 . . . . 75 MET C . 15473 1 629 . 1 1 75 75 MET CA C 13 55.5 0.3 . 1 . . . . 75 MET CA . 15473 1 630 . 1 1 75 75 MET CB C 13 33.2 0.3 . 1 . . . . 75 MET CB . 15473 1 631 . 1 1 75 75 MET N N 15 120.8 0.3 . 1 . . . . 75 MET N . 15473 1 632 . 1 1 76 76 GLU H H 1 8.47 0.02 . 1 . . . . 76 GLU H . 15473 1 633 . 1 1 76 76 GLU HA H 1 4.37 0.02 . 1 . . . . 76 GLU HA . 15473 1 634 . 1 1 76 76 GLU HB2 H 1 2.09 0.02 . 2 . . . . 76 GLU HB2 . 15473 1 635 . 1 1 76 76 GLU HB3 H 1 1.97 0.02 . 2 . . . . 76 GLU HB3 . 15473 1 636 . 1 1 76 76 GLU HG2 H 1 2.31 0.02 . 1 . . . . 76 GLU HG2 . 15473 1 637 . 1 1 76 76 GLU C C 13 176.5 0.3 . 1 . . . . 76 GLU C . 15473 1 638 . 1 1 76 76 GLU CA C 13 56.6 0.3 . 1 . . . . 76 GLU CA . 15473 1 639 . 1 1 76 76 GLU CB C 13 30.5 0.3 . 1 . . . . 76 GLU CB . 15473 1 640 . 1 1 76 76 GLU N N 15 122.1 0.3 . 1 . . . . 76 GLU N . 15473 1 641 . 1 1 77 77 GLU H H 1 8.50 0.02 . 1 . . . . 77 GLU H . 15473 1 642 . 1 1 77 77 GLU HA H 1 4.35 0.02 . 1 . . . . 77 GLU HA . 15473 1 643 . 1 1 77 77 GLU HB2 H 1 2.06 0.02 . 2 . . . . 77 GLU HB2 . 15473 1 644 . 1 1 77 77 GLU HB3 H 1 1.95 0.02 . 2 . . . . 77 GLU HB3 . 15473 1 645 . 1 1 77 77 GLU HG2 H 1 2.32 0.02 . 1 . . . . 77 GLU HG2 . 15473 1 646 . 1 1 77 77 GLU C C 13 176.9 0.3 . 1 . . . . 77 GLU C . 15473 1 647 . 1 1 77 77 GLU CA C 13 56.7 0.3 . 1 . . . . 77 GLU CA . 15473 1 648 . 1 1 77 77 GLU CB C 13 30.6 0.3 . 1 . . . . 77 GLU CB . 15473 1 649 . 1 1 77 77 GLU N N 15 121.8 0.3 . 1 . . . . 77 GLU N . 15473 1 650 . 1 1 78 78 GLY H H 1 8.37 0.02 . 1 . . . . 78 GLY H . 15473 1 651 . 1 1 78 78 GLY HA2 H 1 4.03 0.02 . 1 . . . . 78 GLY HA2 . 15473 1 652 . 1 1 78 78 GLY C C 13 173.7 0.3 . 1 . . . . 78 GLY C . 15473 1 653 . 1 1 78 78 GLY CA C 13 45.2 0.3 . 1 . . . . 78 GLY CA . 15473 1 654 . 1 1 78 78 GLY N N 15 109.4 0.3 . 1 . . . . 78 GLY N . 15473 1 655 . 1 1 79 79 ASP H H 1 8.29 0.02 . 1 . . . . 79 ASP H . 15473 1 656 . 1 1 79 79 ASP HA H 1 4.75 0.02 . 1 . . . . 79 ASP HA . 15473 1 657 . 1 1 79 79 ASP HB2 H 1 2.71 0.02 . 1 . . . . 79 ASP HB2 . 15473 1 658 . 1 1 79 79 ASP C C 13 176.5 0.3 . 1 . . . . 79 ASP C . 15473 1 659 . 1 1 79 79 ASP CA C 13 54.3 0.3 . 1 . . . . 79 ASP CA . 15473 1 660 . 1 1 79 79 ASP CB C 13 41.6 0.3 . 1 . . . . 79 ASP CB . 15473 1 661 . 1 1 79 79 ASP N N 15 120.2 0.3 . 1 . . . . 79 ASP N . 15473 1 662 . 1 1 80 80 THR H H 1 8.19 0.02 . 1 . . . . 80 THR H . 15473 1 663 . 1 1 80 80 THR HA H 1 4.42 0.02 . 1 . . . . 80 THR HA . 15473 1 664 . 1 1 80 80 THR HB H 1 4.22 0.02 . 1 . . . . 80 THR HB . 15473 1 665 . 1 1 80 80 THR HG21 H 1 1.21 0.02 . 1 . . . . 80 THR HG2 . 15473 1 666 . 1 1 80 80 THR HG22 H 1 1.21 0.02 . 1 . . . . 80 THR HG2 . 15473 1 667 . 1 1 80 80 THR HG23 H 1 1.21 0.02 . 1 . . . . 80 THR HG2 . 15473 1 668 . 1 1 80 80 THR C C 13 174.4 0.3 . 1 . . . . 80 THR C . 15473 1 669 . 1 1 80 80 THR CA C 13 61.7 0.3 . 1 . . . . 80 THR CA . 15473 1 670 . 1 1 80 80 THR CB C 13 69.9 0.3 . 1 . . . . 80 THR CB . 15473 1 671 . 1 1 80 80 THR N N 15 114.2 0.3 . 1 . . . . 80 THR N . 15473 1 672 . 1 1 81 81 ILE H H 1 8.16 0.02 . 1 . . . . 81 ILE H . 15473 1 673 . 1 1 81 81 ILE HA H 1 4.21 0.02 . 1 . . . . 81 ILE HA . 15473 1 674 . 1 1 81 81 ILE HB H 1 1.85 0.02 . 1 . . . . 81 ILE HB . 15473 1 675 . 1 1 81 81 ILE HD11 H 1 0.83 0.02 . 1 . . . . 81 ILE HD1 . 15473 1 676 . 1 1 81 81 ILE HD12 H 1 0.83 0.02 . 1 . . . . 81 ILE HD1 . 15473 1 677 . 1 1 81 81 ILE HD13 H 1 0.83 0.02 . 1 . . . . 81 ILE HD1 . 15473 1 678 . 1 1 81 81 ILE HG13 H 1 1.45 0.02 . 1 . . . . 81 ILE HG13 . 15473 1 679 . 1 1 81 81 ILE HG21 H 1 0.88 0.02 . 1 . . . . 81 ILE HG2 . 15473 1 680 . 1 1 81 81 ILE HG22 H 1 0.88 0.02 . 1 . . . . 81 ILE HG2 . 15473 1 681 . 1 1 81 81 ILE HG23 H 1 0.88 0.02 . 1 . . . . 81 ILE HG2 . 15473 1 682 . 1 1 81 81 ILE C C 13 176.0 0.3 . 1 . . . . 81 ILE C . 15473 1 683 . 1 1 81 81 ILE CA C 13 61.3 0.3 . 1 . . . . 81 ILE CA . 15473 1 684 . 1 1 81 81 ILE CB C 13 38.9 0.3 . 1 . . . . 81 ILE CB . 15473 1 685 . 1 1 81 81 ILE N N 15 122.9 0.3 . 1 . . . . 81 ILE N . 15473 1 686 . 1 1 82 82 GLU H H 1 8.43 0.02 . 1 . . . . 82 GLU H . 15473 1 687 . 1 1 82 82 GLU HA H 1 4.33 0.02 . 1 . . . . 82 GLU HA . 15473 1 688 . 1 1 82 82 GLU HB2 H 1 1.91 0.02 . 1 . . . . 82 GLU HB2 . 15473 1 689 . 1 1 82 82 GLU HG2 H 1 2.25 0.02 . 1 . . . . 82 GLU HG2 . 15473 1 690 . 1 1 82 82 GLU C C 13 176.2 0.3 . 1 . . . . 82 GLU C . 15473 1 691 . 1 1 82 82 GLU CA C 13 56.5 0.3 . 1 . . . . 82 GLU CA . 15473 1 692 . 1 1 82 82 GLU CB C 13 30.4 0.3 . 1 . . . . 82 GLU CB . 15473 1 693 . 1 1 82 82 GLU N N 15 124.8 0.3 . 1 . . . . 82 GLU N . 15473 1 694 . 1 1 83 83 VAL H H 1 8.10 0.02 . 1 . . . . 83 VAL H . 15473 1 695 . 1 1 83 83 VAL HA H 1 4.10 0.02 . 1 . . . . 83 VAL HA . 15473 1 696 . 1 1 83 83 VAL HB H 1 2.00 0.02 . 1 . . . . 83 VAL HB . 15473 1 697 . 1 1 83 83 VAL HG11 H 1 0.91 0.02 . 1 . . . . 83 VAL HG1 . 15473 1 698 . 1 1 83 83 VAL HG12 H 1 0.91 0.02 . 1 . . . . 83 VAL HG1 . 15473 1 699 . 1 1 83 83 VAL HG13 H 1 0.91 0.02 . 1 . . . . 83 VAL HG1 . 15473 1 700 . 1 1 83 83 VAL HG21 H 1 0.83 0.02 . 1 . . . . 83 VAL HG2 . 15473 1 701 . 1 1 83 83 VAL HG22 H 1 0.83 0.02 . 1 . . . . 83 VAL HG2 . 15473 1 702 . 1 1 83 83 VAL HG23 H 1 0.83 0.02 . 1 . . . . 83 VAL HG2 . 15473 1 703 . 1 1 83 83 VAL C C 13 175.8 0.3 . 1 . . . . 83 VAL C . 15473 1 704 . 1 1 83 83 VAL CA C 13 62.4 0.3 . 1 . . . . 83 VAL CA . 15473 1 705 . 1 1 83 83 VAL CB C 13 33.0 0.3 . 1 . . . . 83 VAL CB . 15473 1 706 . 1 1 83 83 VAL N N 15 121.1 0.3 . 1 . . . . 83 VAL N . 15473 1 707 . 1 1 84 84 TYR H H 1 8.26 0.02 . 1 . . . . 84 TYR H . 15473 1 708 . 1 1 84 84 TYR HA H 1 4.64 0.02 . 1 . . . . 84 TYR HA . 15473 1 709 . 1 1 84 84 TYR HB2 H 1 3.04 0.02 . 2 . . . . 84 TYR HB2 . 15473 1 710 . 1 1 84 84 TYR HB3 H 1 2.94 0.02 . 2 . . . . 84 TYR HB3 . 15473 1 711 . 1 1 84 84 TYR C C 13 175.7 0.3 . 1 . . . . 84 TYR C . 15473 1 712 . 1 1 84 84 TYR CA C 13 57.6 0.3 . 1 . . . . 84 TYR CA . 15473 1 713 . 1 1 84 84 TYR CB C 13 38.9 0.3 . 1 . . . . 84 TYR CB . 15473 1 714 . 1 1 84 84 TYR N N 15 123.9 0.3 . 1 . . . . 84 TYR N . 15473 1 715 . 1 1 85 85 GLN H H 1 8.29 0.02 . 1 . . . . 85 GLN H . 15473 1 716 . 1 1 85 85 GLN HA H 1 4.34 0.02 . 1 . . . . 85 GLN HA . 15473 1 717 . 1 1 85 85 GLN HB2 H 1 2.05 0.02 . 2 . . . . 85 GLN HB2 . 15473 1 718 . 1 1 85 85 GLN HB3 H 1 1.93 0.02 . 2 . . . . 85 GLN HB3 . 15473 1 719 . 1 1 85 85 GLN HG2 H 1 2.32 0.02 . 1 . . . . 85 GLN HG2 . 15473 1 720 . 1 1 85 85 GLN C C 13 175.5 0.3 . 1 . . . . 85 GLN C . 15473 1 721 . 1 1 85 85 GLN CA C 13 55.7 0.3 . 1 . . . . 85 GLN CA . 15473 1 722 . 1 1 85 85 GLN CB C 13 29.9 0.3 . 1 . . . . 85 GLN CB . 15473 1 723 . 1 1 85 85 GLN N N 15 122.3 0.3 . 1 . . . . 85 GLN N . 15473 1 724 . 1 1 86 86 GLN H H 1 8.38 0.02 . 1 . . . . 86 GLN H . 15473 1 725 . 1 1 86 86 GLN HA H 1 4.32 0.02 . 1 . . . . 86 GLN HA . 15473 1 726 . 1 1 86 86 GLN HB2 H 1 2.12 0.02 . 2 . . . . 86 GLN HB2 . 15473 1 727 . 1 1 86 86 GLN HB3 H 1 2.00 0.02 . 2 . . . . 86 GLN HB3 . 15473 1 728 . 1 1 86 86 GLN HG2 H 1 2.38 0.02 . 1 . . . . 86 GLN HG2 . 15473 1 729 . 1 1 86 86 GLN C C 13 176.0 0.3 . 1 . . . . 86 GLN C . 15473 1 730 . 1 1 86 86 GLN CA C 13 56.2 0.3 . 1 . . . . 86 GLN CA . 15473 1 731 . 1 1 86 86 GLN CB C 13 29.4 0.3 . 1 . . . . 86 GLN CB . 15473 1 732 . 1 1 86 86 GLN N N 15 121.8 0.3 . 1 . . . . 86 GLN N . 15473 1 733 . 1 1 87 87 GLN H H 1 8.56 0.02 . 1 . . . . 87 GLN H . 15473 1 734 . 1 1 87 87 GLN HA H 1 4.48 0.02 . 1 . . . . 87 GLN HA . 15473 1 735 . 1 1 87 87 GLN HB2 H 1 2.15 0.02 . 2 . . . . 87 GLN HB2 . 15473 1 736 . 1 1 87 87 GLN HB3 H 1 2.03 0.02 . 2 . . . . 87 GLN HB3 . 15473 1 737 . 1 1 87 87 GLN HG2 H 1 2.40 0.02 . 1 . . . . 87 GLN HG2 . 15473 1 738 . 1 1 87 87 GLN C C 13 176.3 0.3 . 1 . . . . 87 GLN C . 15473 1 739 . 1 1 87 87 GLN CA C 13 55.8 0.3 . 1 . . . . 87 GLN CA . 15473 1 740 . 1 1 87 87 GLN CB C 13 29.7 0.3 . 1 . . . . 87 GLN CB . 15473 1 741 . 1 1 87 87 GLN N N 15 121.9 0.3 . 1 . . . . 87 GLN N . 15473 1 742 . 1 1 88 88 THR H H 1 8.29 0.02 . 1 . . . . 88 THR H . 15473 1 743 . 1 1 88 88 THR HA H 1 4.46 0.02 . 1 . . . . 88 THR HA . 15473 1 744 . 1 1 88 88 THR HB H 1 4.27 0.02 . 1 . . . . 88 THR HB . 15473 1 745 . 1 1 88 88 THR HG21 H 1 1.22 0.02 . 1 . . . . 88 THR HG2 . 15473 1 746 . 1 1 88 88 THR HG22 H 1 1.22 0.02 . 1 . . . . 88 THR HG2 . 15473 1 747 . 1 1 88 88 THR HG23 H 1 1.22 0.02 . 1 . . . . 88 THR HG2 . 15473 1 748 . 1 1 88 88 THR C C 13 175.0 0.3 . 1 . . . . 88 THR C . 15473 1 749 . 1 1 88 88 THR CA C 13 62.3 0.3 . 1 . . . . 88 THR CA . 15473 1 750 . 1 1 88 88 THR CB C 13 70.0 0.3 . 1 . . . . 88 THR CB . 15473 1 751 . 1 1 88 88 THR N N 15 114.9 0.3 . 1 . . . . 88 THR N . 15473 1 752 . 1 1 89 89 GLY H H 1 8.42 0.02 . 1 . . . . 89 GLY H . 15473 1 753 . 1 1 89 89 GLY HA2 H 1 4.05 0.02 . 1 . . . . 89 GLY HA2 . 15473 1 754 . 1 1 89 89 GLY C C 13 173.6 0.3 . 1 . . . . 89 GLY C . 15473 1 755 . 1 1 89 89 GLY CA C 13 45.4 0.3 . 1 . . . . 89 GLY CA . 15473 1 756 . 1 1 89 89 GLY N N 15 111.2 0.3 . 1 . . . . 89 GLY N . 15473 1 757 . 1 1 90 90 GLY H H 1 7.98 0.02 . 1 . . . . 90 GLY H . 15473 1 758 . 1 1 90 90 GLY HA2 H 1 3.82 0.02 . 1 . . . . 90 GLY HA2 . 15473 1 759 . 1 1 90 90 GLY C C 13 179.2 0.3 . 1 . . . . 90 GLY C . 15473 1 760 . 1 1 90 90 GLY CA C 13 45.4 0.3 . 1 . . . . 90 GLY CA . 15473 1 761 . 1 1 90 90 GLY N N 15 115.0 0.3 . 1 . . . . 90 GLY N . 15473 1 stop_ save_