data_53472 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53472 _Entry.Title ; Resonance assignments of 2-8 domains fragment of human tropoelastin (hTE) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-12-09 _Entry.Accession_date 2025-12-09 _Entry.Last_release_date 2025-12-09 _Entry.Original_release_date 2025-12-09 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Sean Reichheld . E. . 0000-0002-6979-5695 53472 2 Simon Sharpe . . . 0000-0001-8016-3915 53472 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 53472 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 332 53472 '15N chemical shifts' 110 53472 '1H chemical shifts' 385 53472 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 . . 2026-02-06 . original BMRB . 53472 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27236 'Resonance assignment of the central conserved region (domains 8 to 14) of human tropoelastin' 53472 BMRB 53473 'Resonance assignments of 2-14 domains fragment of human tropoelastin (hTE)' 53472 BMRB 53474 'Resonance assignments of 13-19 domains fragment of human tropoelastin (hTE)' 53472 BMRB 53475 'Resonance assignments of 18-26 domains fragment of human tropoelastin (hTE)' 53472 BMRB 53476 'Resonance assignments of 24-36 domains fragment of human tropoelastin (hTE)' 53472 BMRB 53477 'Resonance assignments of human tropoelastin (hTE)' 53472 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53472 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI 10.64898/2026.02.03.703507 _Citation.Full_citation . _Citation.Title ; A free energy landscape screen reveals the disordered conformational ensemble of tropoelastin ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details 'biorxiv; preprint' loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Sean Reichheld . E. . . 53472 1 2 Lisa Muiznieks . D. . . 53472 1 3 'Zi Hao' Liu . . . . 53472 1 4 Brandon Payliss . J. . . 53472 1 5 Fred Keeley . W. . . 53472 1 6 Simon Sharpe . . . . 53472 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Intrinsic disorder, conformational ensemble, protein structure, NMR, tropoelastin' 53472 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53472 _Assembly.ID 1 _Assembly.Name 'Human tropoelastin fragment (domains 2-8)' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states yes _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 hTE_2-8 1 $entity_1 . . yes native yes no . . . 53472 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53472 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GVPGAIPGGVPGGVFYPGAG LGALGGGALGPGGKPLKPVP GGLAGAGLGAGLGAFPAVTF PGALVPGGVADAAAAYKAAK AGAGLGGVPGVGGLGVSAGA VVPQPGAGVKPGKVP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _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 115 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 2 GLY . 53472 1 2 3 VAL . 53472 1 3 4 PRO . 53472 1 4 5 GLY . 53472 1 5 6 ALA . 53472 1 6 7 ILE . 53472 1 7 8 PRO . 53472 1 8 9 GLY . 53472 1 9 10 GLY . 53472 1 10 11 VAL . 53472 1 11 12 PRO . 53472 1 12 13 GLY . 53472 1 13 14 GLY . 53472 1 14 15 VAL . 53472 1 15 16 PHE . 53472 1 16 17 TYR . 53472 1 17 18 PRO . 53472 1 18 19 GLY . 53472 1 19 20 ALA . 53472 1 20 21 GLY . 53472 1 21 22 LEU . 53472 1 22 23 GLY . 53472 1 23 24 ALA . 53472 1 24 25 LEU . 53472 1 25 26 GLY . 53472 1 26 27 GLY . 53472 1 27 28 GLY . 53472 1 28 29 ALA . 53472 1 29 30 LEU . 53472 1 30 31 GLY . 53472 1 31 32 PRO . 53472 1 32 33 GLY . 53472 1 33 34 GLY . 53472 1 34 35 LYS . 53472 1 35 36 PRO . 53472 1 36 37 LEU . 53472 1 37 38 LYS . 53472 1 38 39 PRO . 53472 1 39 40 VAL . 53472 1 40 41 PRO . 53472 1 41 42 GLY . 53472 1 42 43 GLY . 53472 1 43 44 LEU . 53472 1 44 45 ALA . 53472 1 45 46 GLY . 53472 1 46 47 ALA . 53472 1 47 48 GLY . 53472 1 48 49 LEU . 53472 1 49 50 GLY . 53472 1 50 51 ALA . 53472 1 51 52 GLY . 53472 1 52 53 LEU . 53472 1 53 54 GLY . 53472 1 54 55 ALA . 53472 1 55 56 PHE . 53472 1 56 57 PRO . 53472 1 57 58 ALA . 53472 1 58 59 VAL . 53472 1 59 60 THR . 53472 1 60 61 PHE . 53472 1 61 62 PRO . 53472 1 62 63 GLY . 53472 1 63 64 ALA . 53472 1 64 65 LEU . 53472 1 65 66 VAL . 53472 1 66 67 PRO . 53472 1 67 68 GLY . 53472 1 68 69 GLY . 53472 1 69 70 VAL . 53472 1 70 71 ALA . 53472 1 71 72 ASP . 53472 1 72 73 ALA . 53472 1 73 74 ALA . 53472 1 74 75 ALA . 53472 1 75 76 ALA . 53472 1 76 77 TYR . 53472 1 77 78 LYS . 53472 1 78 79 ALA . 53472 1 79 80 ALA . 53472 1 80 81 LYS . 53472 1 81 82 ALA . 53472 1 82 83 GLY . 53472 1 83 84 ALA . 53472 1 84 85 GLY . 53472 1 85 86 LEU . 53472 1 86 87 GLY . 53472 1 87 88 GLY . 53472 1 88 89 VAL . 53472 1 89 90 PRO . 53472 1 90 91 GLY . 53472 1 91 92 VAL . 53472 1 92 93 GLY . 53472 1 93 94 GLY . 53472 1 94 95 LEU . 53472 1 95 96 GLY . 53472 1 96 97 VAL . 53472 1 97 98 SER . 53472 1 98 99 ALA . 53472 1 99 100 GLY . 53472 1 100 101 ALA . 53472 1 101 102 VAL . 53472 1 102 103 VAL . 53472 1 103 104 PRO . 53472 1 104 105 GLN . 53472 1 105 106 PRO . 53472 1 106 107 GLY . 53472 1 107 108 ALA . 53472 1 108 109 GLY . 53472 1 109 110 VAL . 53472 1 110 111 LYS . 53472 1 111 112 PRO . 53472 1 112 113 GLY . 53472 1 113 114 LYS . 53472 1 114 115 VAL . 53472 1 115 116 PRO . 53472 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 53472 1 . VAL 2 2 53472 1 . PRO 3 3 53472 1 . GLY 4 4 53472 1 . ALA 5 5 53472 1 . ILE 6 6 53472 1 . PRO 7 7 53472 1 . GLY 8 8 53472 1 . GLY 9 9 53472 1 . VAL 10 10 53472 1 . PRO 11 11 53472 1 . GLY 12 12 53472 1 . GLY 13 13 53472 1 . VAL 14 14 53472 1 . PHE 15 15 53472 1 . TYR 16 16 53472 1 . PRO 17 17 53472 1 . GLY 18 18 53472 1 . ALA 19 19 53472 1 . GLY 20 20 53472 1 . LEU 21 21 53472 1 . GLY 22 22 53472 1 . ALA 23 23 53472 1 . LEU 24 24 53472 1 . GLY 25 25 53472 1 . GLY 26 26 53472 1 . GLY 27 27 53472 1 . ALA 28 28 53472 1 . LEU 29 29 53472 1 . GLY 30 30 53472 1 . PRO 31 31 53472 1 . GLY 32 32 53472 1 . GLY 33 33 53472 1 . LYS 34 34 53472 1 . PRO 35 35 53472 1 . LEU 36 36 53472 1 . LYS 37 37 53472 1 . PRO 38 38 53472 1 . VAL 39 39 53472 1 . PRO 40 40 53472 1 . GLY 41 41 53472 1 . GLY 42 42 53472 1 . LEU 43 43 53472 1 . ALA 44 44 53472 1 . GLY 45 45 53472 1 . ALA 46 46 53472 1 . GLY 47 47 53472 1 . LEU 48 48 53472 1 . GLY 49 49 53472 1 . ALA 50 50 53472 1 . GLY 51 51 53472 1 . LEU 52 52 53472 1 . GLY 53 53 53472 1 . ALA 54 54 53472 1 . PHE 55 55 53472 1 . PRO 56 56 53472 1 . ALA 57 57 53472 1 . VAL 58 58 53472 1 . THR 59 59 53472 1 . PHE 60 60 53472 1 . PRO 61 61 53472 1 . GLY 62 62 53472 1 . ALA 63 63 53472 1 . LEU 64 64 53472 1 . VAL 65 65 53472 1 . PRO 66 66 53472 1 . GLY 67 67 53472 1 . GLY 68 68 53472 1 . VAL 69 69 53472 1 . ALA 70 70 53472 1 . ASP 71 71 53472 1 . ALA 72 72 53472 1 . ALA 73 73 53472 1 . ALA 74 74 53472 1 . ALA 75 75 53472 1 . TYR 76 76 53472 1 . LYS 77 77 53472 1 . ALA 78 78 53472 1 . ALA 79 79 53472 1 . LYS 80 80 53472 1 . ALA 81 81 53472 1 . GLY 82 82 53472 1 . ALA 83 83 53472 1 . GLY 84 84 53472 1 . LEU 85 85 53472 1 . GLY 86 86 53472 1 . GLY 87 87 53472 1 . VAL 88 88 53472 1 . PRO 89 89 53472 1 . GLY 90 90 53472 1 . VAL 91 91 53472 1 . GLY 92 92 53472 1 . GLY 93 93 53472 1 . LEU 94 94 53472 1 . GLY 95 95 53472 1 . VAL 96 96 53472 1 . SER 97 97 53472 1 . ALA 98 98 53472 1 . GLY 99 99 53472 1 . ALA 100 100 53472 1 . VAL 101 101 53472 1 . VAL 102 102 53472 1 . PRO 103 103 53472 1 . GLN 104 104 53472 1 . PRO 105 105 53472 1 . GLY 106 106 53472 1 . ALA 107 107 53472 1 . GLY 108 108 53472 1 . VAL 109 109 53472 1 . LYS 110 110 53472 1 . PRO 111 111 53472 1 . GLY 112 112 53472 1 . LYS 113 113 53472 1 . VAL 114 114 53472 1 . PRO 115 115 53472 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 53472 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 53472 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 53472 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pet32b . . . 53472 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53472 _Sample.ID 1 _Sample.Name '13C 15N' _Sample.Type solution _Sample.Sub_type . _Sample.Details 'pH 7' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'hTE fragment domains 2-8 monomer' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 4.0 . . mM . . . . 53472 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 53472 1 3 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 53472 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 53472 _Sample_condition_list.ID 1 _Sample_condition_list.Name '50 mM Sodium phosphate (pH 7.0) 300 mM NaCl at 10 deg. C' _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' 0.35 . M 53472 1 pH 7.0 . pH 53472 1 pressure 1 . atm 53472 1 temperature 283 . K 53472 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53472 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 53472 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 53472 _Software.ID 2 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 53472 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 53472 _Software.ID 3 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 53472 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 53472 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '600 MHz Bruker Avance III spectrometer' _NMR_spectrometer.Details 'triple-resonance 5-mm TXI MicroProbe equipped with Z-gradient' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 53472 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name '700 MHz Bruker Avance III spectrometer' _NMR_spectrometer.Details 'triple-resonance 5-mm TXI MicroProbe equipped with Z-gradient' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 53472 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 53472 1 2 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53472 1 3 '3D HN(CA)CO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53472 1 4 '3D C(CO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53472 1 5 '3D CBCANH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53472 1 6 '3D HNCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53472 1 7 '3D NOESY-HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53472 1 8 '3D HSQC-TOCSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53472 1 9 '3D HCAN' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53472 1 10 '3D HNN' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53472 1 11 '3D HN(CO)N' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53472 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 53472 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'DSS referencing' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 external indirect 0.251449530 . . . . . 53472 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 external direct 1 . . . . . 53472 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 external indirect 0.101329118 . . . . . 53472 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 53472 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name '2-8 chemical shifts' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 53472 1 2 '3D HNCO' . . . 53472 1 3 '3D HN(CA)CO' . . . 53472 1 4 '3D C(CO)NH' . . . 53472 1 5 '3D CBCANH' . . . 53472 1 6 '3D HNCA' . . . 53472 1 7 '3D NOESY-HSQC' . . . 53472 1 8 '3D HSQC-TOCSY' . . . 53472 1 9 '3D HCAN' . . . 53472 1 10 '3D HNN' . . . 53472 1 11 '3D HN(CO)N' . . . 53472 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 53472 1 2 $software_2 . . 53472 1 3 $software_3 . . 53472 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 GLY C C 13 181.953 . . . . . . . . 2 G C . 53472 1 2 . 1 . 1 1 1 GLY CA C 13 42.982 . . . . . . . . 2 G CA . 53472 1 3 . 1 . 1 2 2 VAL H H 1 8.570 . . . . . . . . 3 V H . 53472 1 4 . 1 . 1 2 2 VAL HA H 1 4.296 . . . . . . . . 3 V HA . 53472 1 5 . 1 . 1 2 2 VAL HB H 1 1.910 . . . . . . . . 3 V HB . 53472 1 6 . 1 . 1 2 2 VAL HG11 H 1 0.780 . . . . . . . . 3 V HG1# . 53472 1 7 . 1 . 1 2 2 VAL HG12 H 1 0.780 . . . . . . . . 3 V HG1# . 53472 1 8 . 1 . 1 2 2 VAL HG13 H 1 0.780 . . . . . . . . 3 V HG1# . 53472 1 9 . 1 . 1 2 2 VAL C C 13 174.721 . . . . . . . . 3 V C . 53472 1 10 . 1 . 1 2 2 VAL CA C 13 59.999 . . . . . . . . 3 V CA . 53472 1 11 . 1 . 1 2 2 VAL CB C 13 32.305 . . . . . . . . 3 V CB . 53472 1 12 . 1 . 1 2 2 VAL N N 15 120.459 . . . . . . . . 3 V N . 53472 1 13 . 1 . 1 3 3 PRO HA H 1 4.376 . . . . . . . . 4 P HA . 53472 1 14 . 1 . 1 3 3 PRO C C 13 177.533 . . . . . . . . 4 P C . 53472 1 15 . 1 . 1 3 3 PRO CA C 13 63.643 . . . . . . . . 4 P CA . 53472 1 16 . 1 . 1 3 3 PRO CB C 13 31.906 . . . . . . . . 4 P CB . 53472 1 17 . 1 . 1 3 3 PRO CG C 13 27.550 . . . . . . . . 4 P CG . 53472 1 18 . 1 . 1 3 3 PRO CD C 13 50.825 . . . . . . . . 4 P CD . 53472 1 19 . 1 . 1 3 3 PRO N N 15 140.203 . . . . . . . . 4 P N . 53472 1 20 . 1 . 1 4 4 GLY H H 1 8.621 . . . . . . . . 5 G H . 53472 1 21 . 1 . 1 4 4 GLY HA2 H 1 3.931 . . . . . . . . 5 G HA# . 53472 1 22 . 1 . 1 4 4 GLY HA3 H 1 3.931 . . . . . . . . 5 G HA# . 53472 1 23 . 1 . 1 4 4 GLY C C 13 173.725 . . . . . . . . 5 G C . 53472 1 24 . 1 . 1 4 4 GLY CA C 13 45.097 . . . . . . . . 5 G CA . 53472 1 25 . 1 . 1 4 4 GLY N N 15 110.200 . . . . . . . . 5 G N . 53472 1 26 . 1 . 1 5 5 ALA H H 1 8.073 . . . . . . . . 6 A H . 53472 1 27 . 1 . 1 5 5 ALA HA H 1 4.210 . . . . . . . . 6 A HA . 53472 1 28 . 1 . 1 5 5 ALA HB1 H 1 1.256 . . . . . . . . 6 A HB# . 53472 1 29 . 1 . 1 5 5 ALA HB2 H 1 1.256 . . . . . . . . 6 A HB# . 53472 1 30 . 1 . 1 5 5 ALA HB3 H 1 1.256 . . . . . . . . 6 A HB# . 53472 1 31 . 1 . 1 5 5 ALA C C 13 177.609 . . . . . . . . 6 A C . 53472 1 32 . 1 . 1 5 5 ALA CA C 13 52.243 . . . . . . . . 6 A CA . 53472 1 33 . 1 . 1 5 5 ALA CB C 13 19.437 . . . . . . . . 6 A CB . 53472 1 34 . 1 . 1 5 5 ALA N N 15 123.570 . . . . . . . . 6 A N . 53472 1 35 . 1 . 1 6 6 ILE H H 1 8.351 . . . . . . . . 7 I H . 53472 1 36 . 1 . 1 6 6 ILE HA H 1 4.260 . . . . . . . . 7 I HA . 53472 1 37 . 1 . 1 6 6 ILE HB H 1 1.646 . . . . . . . . 7 I HB . 53472 1 38 . 1 . 1 6 6 ILE HG12 H 1 0.718 . . . . . . . . 7 I HG12 . 53472 1 39 . 1 . 1 6 6 ILE C C 13 174.849 . . . . . . . . 7 I C . 53472 1 40 . 1 . 1 6 6 ILE CA C 13 58.548 . . . . . . . . 7 I CA . 53472 1 41 . 1 . 1 6 6 ILE CB C 13 38.536 . . . . . . . . 7 I CB . 53472 1 42 . 1 . 1 6 6 ILE N N 15 122.258 . . . . . . . . 7 I N . 53472 1 43 . 1 . 1 7 7 PRO HA H 1 4.308 . . . . . . . . 8 P HA . 53472 1 44 . 1 . 1 7 7 PRO C C 13 177.542 . . . . . . . . 8 P C . 53472 1 45 . 1 . 1 7 7 PRO CA C 13 63.673 . . . . . . . . 8 P CA . 53472 1 46 . 1 . 1 7 7 PRO CB C 13 31.923 . . . . . . . . 8 P CB . 53472 1 47 . 1 . 1 7 7 PRO N N 15 141.206 . . . . . . . . 8 P N . 53472 1 48 . 1 . 1 8 8 GLY H H 1 8.643 . . . . . . . . 9 G H . 53472 1 49 . 1 . 1 8 8 GLY HA2 H 1 3.753 . . . . . . . . 9 G HA# . 53472 1 50 . 1 . 1 8 8 GLY HA3 H 1 3.753 . . . . . . . . 9 G HA# . 53472 1 51 . 1 . 1 8 8 GLY C C 13 174.720 . . . . . . . . 9 G C . 53472 1 52 . 1 . 1 8 8 GLY CA C 13 45.316 . . . . . . . . 9 G CA . 53472 1 53 . 1 . 1 8 8 GLY N N 15 110.371 . . . . . . . . 9 G N . 53472 1 54 . 1 . 1 9 9 GLY H H 1 8.298 . . . . . . . . 10 G H . 53472 1 55 . 1 . 1 9 9 GLY HA2 H 1 3.969 . . . . . . . . 10 G HA# . 53472 1 56 . 1 . 1 9 9 GLY HA3 H 1 3.969 . . . . . . . . 10 G HA# . 53472 1 57 . 1 . 1 9 9 GLY C C 13 173.696 . . . . . . . . 10 G C . 53472 1 58 . 1 . 1 9 9 GLY CA C 13 44.966 . . . . . . . . 10 G CA . 53472 1 59 . 1 . 1 9 9 GLY N N 15 108.729 . . . . . . . . 10 G N . 53472 1 60 . 1 . 1 10 10 VAL H H 1 8.144 . . . . . . . . 11 V H . 53472 1 61 . 1 . 1 10 10 VAL HA H 1 4.256 . . . . . . . . 11 V HA . 53472 1 62 . 1 . 1 10 10 VAL HB H 1 1.867 . . . . . . . . 11 V HB . 53472 1 63 . 1 . 1 10 10 VAL HG11 H 1 0.727 . . . . . . . . 11 V HG1# . 53472 1 64 . 1 . 1 10 10 VAL HG12 H 1 0.727 . . . . . . . . 11 V HG1# . 53472 1 65 . 1 . 1 10 10 VAL HG13 H 1 0.727 . . . . . . . . 11 V HG1# . 53472 1 66 . 1 . 1 10 10 VAL C C 13 174.715 . . . . . . . . 11 V C . 53472 1 67 . 1 . 1 10 10 VAL CA C 13 59.797 . . . . . . . . 11 V CA . 53472 1 68 . 1 . 1 10 10 VAL CB C 13 32.718 . . . . . . . . 11 V CB . 53472 1 69 . 1 . 1 10 10 VAL N N 15 120.448 . . . . . . . . 11 V N . 53472 1 70 . 1 . 1 11 11 PRO HA H 1 4.400 . . . . . . . . 12 P HA . 53472 1 71 . 1 . 1 11 11 PRO C C 13 177.542 . . . . . . . . 12 P C . 53472 1 72 . 1 . 1 11 11 PRO CA C 13 63.580 . . . . . . . . 12 P CA . 53472 1 73 . 1 . 1 11 11 PRO CB C 13 31.923 . . . . . . . . 12 P CB . 53472 1 74 . 1 . 1 11 11 PRO CG C 13 27.468 . . . . . . . . 12 P CG . 53472 1 75 . 1 . 1 11 11 PRO CD C 13 51.073 . . . . . . . . 12 P CD . 53472 1 76 . 1 . 1 11 11 PRO N N 15 139.644 . . . . . . . . 12 P N . 53472 1 77 . 1 . 1 12 12 GLY H H 1 8.630 . . . . . . . . 13 G H . 53472 1 78 . 1 . 1 12 12 GLY HA2 H 1 3.744 . . . . . . . . 13 G HA# . 53472 1 79 . 1 . 1 12 12 GLY HA3 H 1 3.744 . . . . . . . . 13 G HA# . 53472 1 80 . 1 . 1 12 12 GLY C C 13 174.704 . . . . . . . . 13 G C . 53472 1 81 . 1 . 1 12 12 GLY CA C 13 45.451 . . . . . . . . 13 G CA . 53472 1 82 . 1 . 1 12 12 GLY N N 15 110.375 . . . . . . . . 13 G N . 53472 1 83 . 1 . 1 13 13 GLY H H 1 8.322 . . . . . . . . 14 G H . 53472 1 84 . 1 . 1 13 13 GLY HA2 H 1 3.970 . . . . . . . . 14 G HA# . 53472 1 85 . 1 . 1 13 13 GLY HA3 H 1 3.970 . . . . . . . . 14 G HA# . 53472 1 86 . 1 . 1 13 13 GLY C C 13 173.699 . . . . . . . . 14 G C . 53472 1 87 . 1 . 1 13 13 GLY CA C 13 45.242 . . . . . . . . 14 G CA . 53472 1 88 . 1 . 1 13 13 GLY N N 15 108.761 . . . . . . . . 14 G N . 53472 1 89 . 1 . 1 14 14 VAL H H 1 7.976 . . . . . . . . 15 V H . 53472 1 90 . 1 . 1 14 14 VAL HA H 1 3.949 . . . . . . . . 15 V HA . 53472 1 91 . 1 . 1 14 14 VAL HB H 1 1.708 . . . . . . . . 15 V HB . 53472 1 92 . 1 . 1 14 14 VAL HG11 H 1 0.549 . . . . . . . . 15 V HG1# . 53472 1 93 . 1 . 1 14 14 VAL HG12 H 1 0.549 . . . . . . . . 15 V HG1# . 53472 1 94 . 1 . 1 14 14 VAL HG13 H 1 0.549 . . . . . . . . 15 V HG1# . 53472 1 95 . 1 . 1 14 14 VAL HG21 H 1 0.705 . . . . . . . . 15 V HG2# . 53472 1 96 . 1 . 1 14 14 VAL HG22 H 1 0.705 . . . . . . . . 15 V HG2# . 53472 1 97 . 1 . 1 14 14 VAL HG23 H 1 0.705 . . . . . . . . 15 V HG2# . 53472 1 98 . 1 . 1 14 14 VAL C C 13 175.275 . . . . . . . . 15 V C . 53472 1 99 . 1 . 1 14 14 VAL CA C 13 62.087 . . . . . . . . 15 V CA . 53472 1 100 . 1 . 1 14 14 VAL CB C 13 33.006 . . . . . . . . 15 V CB . 53472 1 101 . 1 . 1 14 14 VAL N N 15 119.436 . . . . . . . . 15 V N . 53472 1 102 . 1 . 1 15 15 PHE H H 1 8.381 . . . . . . . . 16 F H . 53472 1 103 . 1 . 1 15 15 PHE HA H 1 4.513 . . . . . . . . 16 F HA . 53472 1 104 . 1 . 1 15 15 PHE HB2 H 1 2.747 . . . . . . . . 16 F HB2 . 53472 1 105 . 1 . 1 15 15 PHE C C 13 174.421 . . . . . . . . 16 F C . 53472 1 106 . 1 . 1 15 15 PHE CA C 13 57.359 . . . . . . . . 16 F CA . 53472 1 107 . 1 . 1 15 15 PHE CB C 13 40.087 . . . . . . . . 16 F CB . 53472 1 108 . 1 . 1 15 15 PHE N N 15 124.441 . . . . . . . . 16 F N . 53472 1 109 . 1 . 1 16 16 TYR H H 1 8.112 . . . . . . . . 17 Y H . 53472 1 110 . 1 . 1 16 16 TYR HA H 1 4.573 . . . . . . . . 17 Y HA . 53472 1 111 . 1 . 1 16 16 TYR HB2 H 1 2.777 . . . . . . . . 17 Y HB2 . 53472 1 112 . 1 . 1 16 16 TYR HB3 H 1 2.564 . . . . . . . . 17 Y HB3 . 53472 1 113 . 1 . 1 16 16 TYR C C 13 173.481 . . . . . . . . 17 Y C . 53472 1 114 . 1 . 1 16 16 TYR CA C 13 55.222 . . . . . . . . 17 Y CA . 53472 1 115 . 1 . 1 16 16 TYR CB C 13 38.526 . . . . . . . . 17 Y CB . 53472 1 116 . 1 . 1 16 16 TYR N N 15 124.502 . . . . . . . . 17 Y N . 53472 1 117 . 1 . 1 17 17 PRO HA H 1 4.178 . . . . . . . . 18 P HA . 53472 1 118 . 1 . 1 17 17 PRO C C 13 177.354 . . . . . . . . 18 P C . 53472 1 119 . 1 . 1 17 17 PRO CA C 13 63.491 . . . . . . . . 18 P CA . 53472 1 120 . 1 . 1 17 17 PRO CB C 13 31.882 . . . . . . . . 18 P CB . 53472 1 121 . 1 . 1 17 17 PRO N N 15 136.689 . . . . . . . . 18 P N . 53472 1 122 . 1 . 1 18 18 GLY H H 1 8.171 . . . . . . . . 19 G H . 53472 1 123 . 1 . 1 18 18 GLY HA2 H 1 3.928 . . . . . . . . 19 G HA# . 53472 1 124 . 1 . 1 18 18 GLY HA3 H 1 3.928 . . . . . . . . 19 G HA# . 53472 1 125 . 1 . 1 18 18 GLY C C 13 174.006 . . . . . . . . 19 G C . 53472 1 126 . 1 . 1 18 18 GLY CA C 13 45.242 . . . . . . . . 19 G CA . 53472 1 127 . 1 . 1 18 18 GLY N N 15 109.132 . . . . . . . . 19 G N . 53472 1 128 . 1 . 1 19 19 ALA H H 1 8.257 . . . . . . . . 20 A H . 53472 1 129 . 1 . 1 19 19 ALA HA H 1 4.311 . . . . . . . . 20 A HA . 53472 1 130 . 1 . 1 19 19 ALA HB1 H 1 1.412 . . . . . . . . 20 A HB# . 53472 1 131 . 1 . 1 19 19 ALA HB2 H 1 1.412 . . . . . . . . 20 A HB# . 53472 1 132 . 1 . 1 19 19 ALA HB3 H 1 1.412 . . . . . . . . 20 A HB# . 53472 1 133 . 1 . 1 19 19 ALA C C 13 178.327 . . . . . . . . 20 A C . 53472 1 134 . 1 . 1 19 19 ALA CA C 13 52.747 . . . . . . . . 20 A CA . 53472 1 135 . 1 . 1 19 19 ALA CB C 13 19.417 . . . . . . . . 20 A CB . 53472 1 136 . 1 . 1 19 19 ALA N N 15 123.727 . . . . . . . . 20 A N . 53472 1 137 . 1 . 1 20 20 GLY H H 1 8.492 . . . . . . . . 21 G H . 53472 1 138 . 1 . 1 20 20 GLY HA2 H 1 3.842 . . . . . . . . 21 G HA# . 53472 1 139 . 1 . 1 20 20 GLY HA3 H 1 3.842 . . . . . . . . 21 G HA# . 53472 1 140 . 1 . 1 20 20 GLY C C 13 174.425 . . . . . . . . 21 G C . 53472 1 141 . 1 . 1 20 20 GLY CA C 13 45.379 . . . . . . . . 21 G CA . 53472 1 142 . 1 . 1 20 20 GLY N N 15 108.176 . . . . . . . . 21 G N . 53472 1 143 . 1 . 1 21 21 LEU H H 1 8.213 . . . . . . . . 22 L H . 53472 1 144 . 1 . 1 21 21 LEU HA H 1 4.343 . . . . . . . . 22 L HA . 53472 1 145 . 1 . 1 21 21 LEU HB2 H 1 1.437 . . . . . . . . 22 L HB2 . 53472 1 146 . 1 . 1 21 21 LEU C C 13 178.190 . . . . . . . . 22 L C . 53472 1 147 . 1 . 1 21 21 LEU CA C 13 55.334 . . . . . . . . 22 L CA . 53472 1 148 . 1 . 1 21 21 LEU CB C 13 42.219 . . . . . . . . 22 L CB . 53472 1 149 . 1 . 1 21 21 LEU N N 15 121.438 . . . . . . . . 22 L N . 53472 1 150 . 1 . 1 22 22 GLY H H 1 8.558 . . . . . . . . 23 G H . 53472 1 151 . 1 . 1 22 22 GLY HA2 H 1 3.731 . . . . . . . . 23 G HA# . 53472 1 152 . 1 . 1 22 22 GLY HA3 H 1 3.731 . . . . . . . . 23 G HA# . 53472 1 153 . 1 . 1 22 22 GLY C C 13 174.158 . . . . . . . . 23 G C . 53472 1 154 . 1 . 1 22 22 GLY CA C 13 45.528 . . . . . . . . 23 G CA . 53472 1 155 . 1 . 1 22 22 GLY N N 15 109.788 . . . . . . . . 23 G N . 53472 1 156 . 1 . 1 23 23 ALA H H 1 8.213 . . . . . . . . 24 A H . 53472 1 157 . 1 . 1 23 23 ALA HA H 1 4.110 . . . . . . . . 24 A HA . 53472 1 158 . 1 . 1 23 23 ALA HB1 H 1 1.181 . . . . . . . . 24 A HB# . 53472 1 159 . 1 . 1 23 23 ALA HB2 H 1 1.181 . . . . . . . . 24 A HB# . 53472 1 160 . 1 . 1 23 23 ALA HB3 H 1 1.181 . . . . . . . . 24 A HB# . 53472 1 161 . 1 . 1 23 23 ALA C C 13 178.168 . . . . . . . . 24 A C . 53472 1 162 . 1 . 1 23 23 ALA CA C 13 52.670 . . . . . . . . 24 A CA . 53472 1 163 . 1 . 1 23 23 ALA CB C 13 19.424 . . . . . . . . 24 A CB . 53472 1 164 . 1 . 1 23 23 ALA N N 15 123.744 . . . . . . . . 24 A N . 53472 1 165 . 1 . 1 24 24 LEU H H 1 8.329 . . . . . . . . 25 L H . 53472 1 166 . 1 . 1 24 24 LEU HA H 1 4.238 . . . . . . . . 25 L HA . 53472 1 167 . 1 . 1 24 24 LEU HB2 H 1 1.475 . . . . . . . . 25 L HB2 . 53472 1 168 . 1 . 1 24 24 LEU C C 13 178.172 . . . . . . . . 25 L C . 53472 1 169 . 1 . 1 24 24 LEU CA C 13 55.336 . . . . . . . . 25 L CA . 53472 1 170 . 1 . 1 24 24 LEU CB C 13 42.016 . . . . . . . . 25 L CB . 53472 1 171 . 1 . 1 24 24 LEU N N 15 120.805 . . . . . . . . 25 L N . 53472 1 172 . 1 . 1 25 25 GLY H H 1 8.403 . . . . . . . . 26 G H . 53472 1 173 . 1 . 1 25 25 GLY HA2 H 1 3.761 . . . . . . . . 26 G HA# . 53472 1 174 . 1 . 1 25 25 GLY HA3 H 1 3.761 . . . . . . . . 26 G HA# . 53472 1 175 . 1 . 1 25 25 GLY C C 13 174.824 . . . . . . . . 26 G C . 53472 1 176 . 1 . 1 25 25 GLY CA C 13 45.559 . . . . . . . . 26 G CA . 53472 1 177 . 1 . 1 25 25 GLY N N 15 109.405 . . . . . . . . 26 G N . 53472 1 178 . 1 . 1 26 26 GLY H H 1 8.369 . . . . . . . . 27 G H . 53472 1 179 . 1 . 1 26 26 GLY C C 13 174.809 . . . . . . . . 27 G C . 53472 1 180 . 1 . 1 26 26 GLY CA C 13 45.306 . . . . . . . . 27 G CA . 53472 1 181 . 1 . 1 26 26 GLY N N 15 108.764 . . . . . . . . 27 G N . 53472 1 182 . 1 . 1 27 27 GLY H H 1 8.370 . . . . . . . . 28 G H . 53472 1 183 . 1 . 1 27 27 GLY HA2 H 1 3.941 . . . . . . . . 28 G HA# . 53472 1 184 . 1 . 1 27 27 GLY HA3 H 1 3.941 . . . . . . . . 28 G HA# . 53472 1 185 . 1 . 1 27 27 GLY C C 13 173.801 . . . . . . . . 28 G C . 53472 1 186 . 1 . 1 27 27 GLY CA C 13 45.306 . . . . . . . . 28 G CA . 53472 1 187 . 1 . 1 27 27 GLY N N 15 108.950 . . . . . . . . 28 G N . 53472 1 188 . 1 . 1 28 28 ALA H H 1 8.222 . . . . . . . . 29 A H . 53472 1 189 . 1 . 1 28 28 ALA HA H 1 4.117 . . . . . . . . 29 A HA . 53472 1 190 . 1 . 1 28 28 ALA HB1 H 1 1.294 . . . . . . . . 29 A HB# . 53472 1 191 . 1 . 1 28 28 ALA HB2 H 1 1.294 . . . . . . . . 29 A HB# . 53472 1 192 . 1 . 1 28 28 ALA HB3 H 1 1.294 . . . . . . . . 29 A HB# . 53472 1 193 . 1 . 1 28 28 ALA C C 13 177.460 . . . . . . . . 29 A C . 53472 1 194 . 1 . 1 28 28 ALA CA C 13 52.708 . . . . . . . . 29 A CA . 53472 1 195 . 1 . 1 28 28 ALA CB C 13 19.426 . . . . . . . . 29 A CB . 53472 1 196 . 1 . 1 28 28 ALA N N 15 123.534 . . . . . . . . 29 A N . 53472 1 197 . 1 . 1 29 29 LEU H H 1 8.324 . . . . . . . . 30 L H . 53472 1 198 . 1 . 1 29 29 LEU HA H 1 4.366 . . . . . . . . 30 L HA . 53472 1 199 . 1 . 1 29 29 LEU HB2 H 1 1.475 . . . . . . . . 30 L HB2 . 53472 1 200 . 1 . 1 29 29 LEU C C 13 177.669 . . . . . . . . 30 L C . 53472 1 201 . 1 . 1 29 29 LEU CA C 13 54.353 . . . . . . . . 30 L CA . 53472 1 202 . 1 . 1 29 29 LEU CB C 13 43.198 . . . . . . . . 30 L CB . 53472 1 203 . 1 . 1 29 29 LEU CG C 13 24.928 . . . . . . . . 30 L CG . 53472 1 204 . 1 . 1 29 29 LEU N N 15 120.567 . . . . . . . . 30 L N . 53472 1 205 . 1 . 1 30 30 GLY H H 1 8.427 . . . . . . . . 31 G H . 53472 1 206 . 1 . 1 30 30 GLY HA2 H 1 4.052 . . . . . . . . 31 G HA# . 53472 1 207 . 1 . 1 30 30 GLY HA3 H 1 3.804 . . . . . . . . 31 G HA3 . 53472 1 208 . 1 . 1 30 30 GLY C C 13 172.311 . . . . . . . . 31 G C . 53472 1 209 . 1 . 1 30 30 GLY CA C 13 44.660 . . . . . . . . 31 G CA . 53472 1 210 . 1 . 1 30 30 GLY N N 15 109.166 . . . . . . . . 31 G N . 53472 1 211 . 1 . 1 31 31 PRO HA H 1 4.385 . . . . . . . . 32 P HA . 53472 1 212 . 1 . 1 31 31 PRO C C 13 178.077 . . . . . . . . 32 P C . 53472 1 213 . 1 . 1 31 31 PRO CA C 13 63.961 . . . . . . . . 32 P CA . 53472 1 214 . 1 . 1 31 31 PRO CB C 13 31.842 . . . . . . . . 32 P CB . 53472 1 215 . 1 . 1 31 31 PRO CG C 13 27.268 . . . . . . . . 32 P CG . 53472 1 216 . 1 . 1 32 32 GLY H H 1 8.777 . . . . . . . . 33 G H . 53472 1 217 . 1 . 1 32 32 GLY HA2 H 1 3.778 . . . . . . . . 33 G HA# . 53472 1 218 . 1 . 1 32 32 GLY HA3 H 1 3.778 . . . . . . . . 33 G HA# . 53472 1 219 . 1 . 1 32 32 GLY C C 13 174.992 . . . . . . . . 33 G C . 53472 1 220 . 1 . 1 32 32 GLY CA C 13 45.292 . . . . . . . . 33 G CA . 53472 1 221 . 1 . 1 32 32 GLY N N 15 110.197 . . . . . . . . 33 G N . 53472 1 222 . 1 . 1 33 33 GLY H H 1 8.255 . . . . . . . . 34 G H . 53472 1 223 . 1 . 1 33 33 GLY HA2 H 1 3.899 . . . . . . . . 34 G HA# . 53472 1 224 . 1 . 1 33 33 GLY HA3 H 1 3.712 . . . . . . . . 34 G HA3 . 53472 1 225 . 1 . 1 33 33 GLY C C 13 173.522 . . . . . . . . 34 G C . 53472 1 226 . 1 . 1 33 33 GLY CA C 13 45.604 . . . . . . . . 34 G CA . 53472 1 227 . 1 . 1 33 33 GLY N N 15 108.130 . . . . . . . . 34 G N . 53472 1 228 . 1 . 1 34 34 LYS H H 1 7.799 . . . . . . . . 35 K H . 53472 1 229 . 1 . 1 34 34 LYS HA H 1 4.467 . . . . . . . . 35 K HA . 53472 1 230 . 1 . 1 34 34 LYS HB2 H 1 1.741 . . . . . . . . 35 K HB2 . 53472 1 231 . 1 . 1 34 34 LYS HG2 H 1 1.231 . . . . . . . . 35 K HG2 . 53472 1 232 . 1 . 1 34 34 LYS C C 13 174.195 . . . . . . . . 35 K C . 53472 1 233 . 1 . 1 34 34 LYS CA C 13 53.888 . . . . . . . . 35 K CA . 53472 1 234 . 1 . 1 34 34 LYS CB C 13 32.436 . . . . . . . . 35 K CB . 53472 1 235 . 1 . 1 34 34 LYS N N 15 121.269 . . . . . . . . 35 K N . 53472 1 236 . 1 . 1 35 35 PRO HA H 1 4.481 . . . . . . . . 36 P HA . 53472 1 237 . 1 . 1 35 35 PRO C C 13 176.933 . . . . . . . . 36 P C . 53472 1 238 . 1 . 1 35 35 PRO CA C 13 62.975 . . . . . . . . 36 P CA . 53472 1 239 . 1 . 1 35 35 PRO CB C 13 31.955 . . . . . . . . 36 P CB . 53472 1 240 . 1 . 1 35 35 PRO N N 15 136.393 . . . . . . . . 36 P N . 53472 1 241 . 1 . 1 36 36 LEU H H 1 8.455 . . . . . . . . 37 L H . 53472 1 242 . 1 . 1 36 36 LEU HA H 1 4.076 . . . . . . . . 37 L HA . 53472 1 243 . 1 . 1 36 36 LEU HB2 H 1 1.357 . . . . . . . . 37 L HB2 . 53472 1 244 . 1 . 1 36 36 LEU HG H 1 0.870 . . . . . . . . 37 L HG . 53472 1 245 . 1 . 1 36 36 LEU C C 13 177.187 . . . . . . . . 37 L C . 53472 1 246 . 1 . 1 36 36 LEU CA C 13 55.225 . . . . . . . . 37 L CA . 53472 1 247 . 1 . 1 36 36 LEU CB C 13 42.450 . . . . . . . . 37 L CB . 53472 1 248 . 1 . 1 36 36 LEU N N 15 123.659 . . . . . . . . 37 L N . 53472 1 249 . 1 . 1 37 37 LYS H H 1 8.379 . . . . . . . . 38 K H . 53472 1 250 . 1 . 1 37 37 LYS HA H 1 4.418 . . . . . . . . 38 K HA . 53472 1 251 . 1 . 1 37 37 LYS HB2 H 1 1.524 . . . . . . . . 38 K HB2 . 53472 1 252 . 1 . 1 37 37 LYS C C 13 174.148 . . . . . . . . 38 K C . 53472 1 253 . 1 . 1 37 37 LYS CA C 13 53.945 . . . . . . . . 38 K CA . 53472 1 254 . 1 . 1 37 37 LYS N N 15 123.353 . . . . . . . . 38 K N . 53472 1 255 . 1 . 1 38 38 PRO HA H 1 4.448 . . . . . . . . 39 P HA . 53472 1 256 . 1 . 1 38 38 PRO C C 13 176.656 . . . . . . . . 39 P C . 53472 1 257 . 1 . 1 38 38 PRO CA C 13 62.828 . . . . . . . . 39 P CA . 53472 1 258 . 1 . 1 38 38 PRO CB C 13 31.981 . . . . . . . . 39 P CB . 53472 1 259 . 1 . 1 38 38 PRO CG C 13 27.247 . . . . . . . . 39 P CG . 53472 1 260 . 1 . 1 38 38 PRO N N 15 136.986 . . . . . . . . 39 P N . 53472 1 261 . 1 . 1 39 39 VAL H H 1 8.407 . . . . . . . . 40 V H . 53472 1 262 . 1 . 1 39 39 VAL HA H 1 4.222 . . . . . . . . 40 V HA . 53472 1 263 . 1 . 1 39 39 VAL HB H 1 1.881 . . . . . . . . 40 V HB . 53472 1 264 . 1 . 1 39 39 VAL HG11 H 1 0.759 . . . . . . . . 40 V HG1# . 53472 1 265 . 1 . 1 39 39 VAL HG12 H 1 0.759 . . . . . . . . 40 V HG1# . 53472 1 266 . 1 . 1 39 39 VAL HG13 H 1 0.759 . . . . . . . . 40 V HG1# . 53472 1 267 . 1 . 1 39 39 VAL C C 13 174.807 . . . . . . . . 40 V C . 53472 1 268 . 1 . 1 39 39 VAL CA C 13 59.765 . . . . . . . . 40 V CA . 53472 1 269 . 1 . 1 39 39 VAL CB C 13 32.282 . . . . . . . . 40 V CB . 53472 1 270 . 1 . 1 39 39 VAL N N 15 122.204 . . . . . . . . 40 V N . 53472 1 271 . 1 . 1 40 40 PRO C C 13 177.542 . . . . . . . . 41 P C . 53472 1 272 . 1 . 1 40 40 PRO CA C 13 63.637 . . . . . . . . 41 P CA . 53472 1 273 . 1 . 1 40 40 PRO CB C 13 32.048 . . . . . . . . 41 P CB . 53472 1 274 . 1 . 1 40 40 PRO CG C 13 27.468 . . . . . . . . 41 P CG . 53472 1 275 . 1 . 1 40 40 PRO CD C 13 51.073 . . . . . . . . 41 P CD . 53472 1 276 . 1 . 1 40 40 PRO N N 15 140.188 . . . . . . . . 41 P N . 53472 1 277 . 1 . 1 41 41 GLY H H 1 8.635 . . . . . . . . 42 G H . 53472 1 278 . 1 . 1 41 41 GLY HA2 H 1 3.744 . . . . . . . . 42 G HA# . 53472 1 279 . 1 . 1 41 41 GLY HA3 H 1 3.744 . . . . . . . . 42 G HA# . 53472 1 280 . 1 . 1 41 41 GLY C C 13 174.725 . . . . . . . . 42 G C . 53472 1 281 . 1 . 1 41 41 GLY CA C 13 45.370 . . . . . . . . 42 G CA . 53472 1 282 . 1 . 1 41 41 GLY N N 15 110.213 . . . . . . . . 42 G N . 53472 1 283 . 1 . 1 42 42 GLY H H 1 8.355 . . . . . . . . 43 G H . 53472 1 284 . 1 . 1 42 42 GLY HA2 H 1 3.747 . . . . . . . . 43 G HA# . 53472 1 285 . 1 . 1 42 42 GLY HA3 H 1 3.747 . . . . . . . . 43 G HA# . 53472 1 286 . 1 . 1 42 42 GLY C C 13 174.291 . . . . . . . . 43 G C . 53472 1 287 . 1 . 1 42 42 GLY CA C 13 44.921 . . . . . . . . 43 G CA . 53472 1 288 . 1 . 1 42 42 GLY N N 15 108.603 . . . . . . . . 43 G N . 53472 1 289 . 1 . 1 43 43 LEU H H 1 8.278 . . . . . . . . 44 L H . 53472 1 290 . 1 . 1 43 43 LEU HA H 1 4.329 . . . . . . . . 44 L HA . 53472 1 291 . 1 . 1 43 43 LEU C C 13 177.565 . . . . . . . . 44 L C . 53472 1 292 . 1 . 1 43 43 LEU CA C 13 55.268 . . . . . . . . 44 L CA . 53472 1 293 . 1 . 1 43 43 LEU CB C 13 42.394 . . . . . . . . 44 L CB . 53472 1 294 . 1 . 1 43 43 LEU CG C 13 24.845 . . . . . . . . 44 L CG . 53472 1 295 . 1 . 1 43 43 LEU N N 15 121.905 . . . . . . . . 44 L N . 53472 1 296 . 1 . 1 44 44 ALA H H 1 8.451 . . . . . . . . 45 A H . 53472 1 297 . 1 . 1 44 44 ALA HA H 1 4.182 . . . . . . . . 45 A HA . 53472 1 298 . 1 . 1 44 44 ALA HB1 H 1 1.190 . . . . . . . . 45 A HB# . 53472 1 299 . 1 . 1 44 44 ALA HB2 H 1 1.190 . . . . . . . . 45 A HB# . 53472 1 300 . 1 . 1 44 44 ALA HB3 H 1 1.190 . . . . . . . . 45 A HB# . 53472 1 301 . 1 . 1 44 44 ALA C C 13 178.392 . . . . . . . . 45 A C . 53472 1 302 . 1 . 1 44 44 ALA CA C 13 52.902 . . . . . . . . 45 A CA . 53472 1 303 . 1 . 1 44 44 ALA CB C 13 19.018 . . . . . . . . 45 A CB . 53472 1 304 . 1 . 1 44 44 ALA N N 15 124.734 . . . . . . . . 45 A N . 53472 1 305 . 1 . 1 45 45 GLY H H 1 8.380 . . . . . . . . 46 G H . 53472 1 306 . 1 . 1 45 45 GLY HA2 H 1 3.726 . . . . . . . . 46 G HA# . 53472 1 307 . 1 . 1 45 45 GLY HA3 H 1 3.726 . . . . . . . . 46 G HA# . 53472 1 308 . 1 . 1 45 45 GLY C C 13 174.154 . . . . . . . . 46 G C . 53472 1 309 . 1 . 1 45 45 GLY CA C 13 45.293 . . . . . . . . 46 G CA . 53472 1 310 . 1 . 1 45 45 GLY N N 15 108.296 . . . . . . . . 46 G N . 53472 1 311 . 1 . 1 46 46 ALA H H 1 8.192 . . . . . . . . 47 A H . 53472 1 312 . 1 . 1 46 46 ALA HA H 1 4.311 . . . . . . . . 47 A HA . 53472 1 313 . 1 . 1 46 46 ALA HB1 H 1 1.187 . . . . . . . . 47 A HB# . 53472 1 314 . 1 . 1 46 46 ALA HB2 H 1 1.187 . . . . . . . . 47 A HB# . 53472 1 315 . 1 . 1 46 46 ALA HB3 H 1 1.187 . . . . . . . . 47 A HB# . 53472 1 316 . 1 . 1 46 46 ALA C C 13 178.342 . . . . . . . . 47 A C . 53472 1 317 . 1 . 1 46 46 ALA CA C 13 52.747 . . . . . . . . 47 A CA . 53472 1 318 . 1 . 1 46 46 ALA CB C 13 19.417 . . . . . . . . 47 A CB . 53472 1 319 . 1 . 1 46 46 ALA N N 15 123.648 . . . . . . . . 47 A N . 53472 1 320 . 1 . 1 47 47 GLY H H 1 8.480 . . . . . . . . 48 G H . 53472 1 321 . 1 . 1 47 47 GLY HA2 H 1 3.842 . . . . . . . . 48 G HA# . 53472 1 322 . 1 . 1 47 47 GLY HA3 H 1 3.842 . . . . . . . . 48 G HA# . 53472 1 323 . 1 . 1 47 47 GLY C C 13 174.461 . . . . . . . . 48 G C . 53472 1 324 . 1 . 1 47 47 GLY CA C 13 45.379 . . . . . . . . 48 G CA . 53472 1 325 . 1 . 1 47 47 GLY N N 15 108.088 . . . . . . . . 48 G N . 53472 1 326 . 1 . 1 48 48 LEU H H 1 8.226 . . . . . . . . 49 L H . 53472 1 327 . 1 . 1 48 48 LEU HA H 1 4.158 . . . . . . . . 49 L HA . 53472 1 328 . 1 . 1 48 48 LEU HB2 H 1 1.473 . . . . . . . . 49 L HB2 . 53472 1 329 . 1 . 1 48 48 LEU C C 13 178.177 . . . . . . . . 49 L C . 53472 1 330 . 1 . 1 48 48 LEU CA C 13 55.334 . . . . . . . . 49 L CA . 53472 1 331 . 1 . 1 48 48 LEU CB C 13 42.219 . . . . . . . . 49 L CB . 53472 1 332 . 1 . 1 48 48 LEU N N 15 121.509 . . . . . . . . 49 L N . 53472 1 333 . 1 . 1 49 49 GLY H H 1 8.540 . . . . . . . . 50 G H . 53472 1 334 . 1 . 1 49 49 GLY HA2 H 1 3.681 . . . . . . . . 50 G HA# . 53472 1 335 . 1 . 1 49 49 GLY HA3 H 1 3.681 . . . . . . . . 50 G HA# . 53472 1 336 . 1 . 1 49 49 GLY C C 13 174.106 . . . . . . . . 50 G C . 53472 1 337 . 1 . 1 49 49 GLY CA C 13 45.408 . . . . . . . . 50 G CA . 53472 1 338 . 1 . 1 49 49 GLY N N 15 109.675 . . . . . . . . 50 G N . 53472 1 339 . 1 . 1 50 50 ALA H H 1 8.172 . . . . . . . . 51 A H . 53472 1 340 . 1 . 1 50 50 ALA HA H 1 4.213 . . . . . . . . 51 A HA . 53472 1 341 . 1 . 1 50 50 ALA HB1 H 1 1.193 . . . . . . . . 51 A HB# . 53472 1 342 . 1 . 1 50 50 ALA HB2 H 1 1.193 . . . . . . . . 51 A HB# . 53472 1 343 . 1 . 1 50 50 ALA HB3 H 1 1.193 . . . . . . . . 51 A HB# . 53472 1 344 . 1 . 1 50 50 ALA C C 13 178.317 . . . . . . . . 51 A C . 53472 1 345 . 1 . 1 50 50 ALA CA C 13 52.607 . . . . . . . . 51 A CA . 53472 1 346 . 1 . 1 50 50 ALA CB C 13 19.345 . . . . . . . . 51 A CB . 53472 1 347 . 1 . 1 50 50 ALA N N 15 123.583 . . . . . . . . 51 A N . 53472 1 348 . 1 . 1 51 51 GLY H H 1 8.504 . . . . . . . . 52 G H . 53472 1 349 . 1 . 1 51 51 GLY HA2 H 1 3.948 . . . . . . . . 52 G HA# . 53472 1 350 . 1 . 1 51 51 GLY HA3 H 1 3.948 . . . . . . . . 52 G HA# . 53472 1 351 . 1 . 1 51 51 GLY C C 13 174.412 . . . . . . . . 52 G C . 53472 1 352 . 1 . 1 51 51 GLY CA C 13 45.431 . . . . . . . . 52 G CA . 53472 1 353 . 1 . 1 51 51 GLY N N 15 108.274 . . . . . . . . 52 G N . 53472 1 354 . 1 . 1 52 52 LEU H H 1 8.199 . . . . . . . . 53 L H . 53472 1 355 . 1 . 1 52 52 LEU HA H 1 4.233 . . . . . . . . 53 L HA . 53472 1 356 . 1 . 1 52 52 LEU HB2 H 1 1.404 . . . . . . . . 53 L HB2 . 53472 1 357 . 1 . 1 52 52 LEU C C 13 178.047 . . . . . . . . 53 L C . 53472 1 358 . 1 . 1 52 52 LEU CA C 13 55.398 . . . . . . . . 53 L CA . 53472 1 359 . 1 . 1 52 52 LEU CB C 13 42.152 . . . . . . . . 53 L CB . 53472 1 360 . 1 . 1 52 52 LEU N N 15 121.407 . . . . . . . . 53 L N . 53472 1 361 . 1 . 1 53 53 GLY H H 1 8.489 . . . . . . . . 54 G H . 53472 1 362 . 1 . 1 53 53 GLY HA2 H 1 3.780 . . . . . . . . 54 G HA# . 53472 1 363 . 1 . 1 53 53 GLY HA3 H 1 3.780 . . . . . . . . 54 G HA# . 53472 1 364 . 1 . 1 53 53 GLY C C 13 173.490 . . . . . . . . 54 G C . 53472 1 365 . 1 . 1 53 53 GLY CA C 13 45.239 . . . . . . . . 54 G CA . 53472 1 366 . 1 . 1 53 53 GLY N N 15 109.518 . . . . . . . . 54 G N . 53472 1 367 . 1 . 1 54 54 ALA H H 1 8.026 . . . . . . . . 55 A H . 53472 1 368 . 1 . 1 54 54 ALA HA H 1 4.028 . . . . . . . . 55 A HA . 53472 1 369 . 1 . 1 54 54 ALA HB1 H 1 1.226 . . . . . . . . 55 A HB# . 53472 1 370 . 1 . 1 54 54 ALA HB2 H 1 1.226 . . . . . . . . 55 A HB# . 53472 1 371 . 1 . 1 54 54 ALA HB3 H 1 1.226 . . . . . . . . 55 A HB# . 53472 1 372 . 1 . 1 54 54 ALA C C 13 176.982 . . . . . . . . 55 A C . 53472 1 373 . 1 . 1 54 54 ALA CA C 13 52.307 . . . . . . . . 55 A CA . 53472 1 374 . 1 . 1 54 54 ALA CB C 13 19.522 . . . . . . . . 55 A CB . 53472 1 375 . 1 . 1 54 54 ALA N N 15 123.089 . . . . . . . . 55 A N . 53472 1 376 . 1 . 1 55 55 PHE H H 1 8.247 . . . . . . . . 56 F H . 53472 1 377 . 1 . 1 55 55 PHE HA H 1 4.644 . . . . . . . . 56 F HA . 53472 1 378 . 1 . 1 55 55 PHE HB2 H 1 2.948 . . . . . . . . 56 F HB2 . 53472 1 379 . 1 . 1 55 55 PHE C C 13 173.742 . . . . . . . . 56 F C . 53472 1 380 . 1 . 1 55 55 PHE CA C 13 55.585 . . . . . . . . 56 F CA . 53472 1 381 . 1 . 1 55 55 PHE CB C 13 39.019 . . . . . . . . 56 F CB . 53472 1 382 . 1 . 1 55 55 PHE N N 15 120.146 . . . . . . . . 56 F N . 53472 1 383 . 1 . 1 56 56 PRO HA H 1 4.355 . . . . . . . . 57 P HA . 53472 1 384 . 1 . 1 56 56 PRO C C 13 176.358 . . . . . . . . 57 P C . 53472 1 385 . 1 . 1 56 56 PRO CA C 13 63.052 . . . . . . . . 57 P CA . 53472 1 386 . 1 . 1 56 56 PRO CB C 13 32.045 . . . . . . . . 57 P CB . 53472 1 387 . 1 . 1 56 56 PRO CG C 13 27.000 . . . . . . . . 57 P CG . 53472 1 388 . 1 . 1 57 57 ALA H H 1 8.441 . . . . . . . . 58 A H . 53472 1 389 . 1 . 1 57 57 ALA HA H 1 4.317 . . . . . . . . 58 A HA . 53472 1 390 . 1 . 1 57 57 ALA HB1 H 1 1.390 . . . . . . . . 58 A HB# . 53472 1 391 . 1 . 1 57 57 ALA HB2 H 1 1.390 . . . . . . . . 58 A HB# . 53472 1 392 . 1 . 1 57 57 ALA HB3 H 1 1.390 . . . . . . . . 58 A HB# . 53472 1 393 . 1 . 1 57 57 ALA C C 13 177.762 . . . . . . . . 58 A C . 53472 1 394 . 1 . 1 57 57 ALA CA C 13 52.502 . . . . . . . . 58 A CA . 53472 1 395 . 1 . 1 57 57 ALA CB C 13 19.180 . . . . . . . . 58 A CB . 53472 1 396 . 1 . 1 57 57 ALA N N 15 124.518 . . . . . . . . 58 A N . 53472 1 397 . 1 . 1 58 58 VAL H H 1 8.206 . . . . . . . . 59 V H . 53472 1 398 . 1 . 1 58 58 VAL HA H 1 4.029 . . . . . . . . 59 V HA . 53472 1 399 . 1 . 1 58 58 VAL HB H 1 2.022 . . . . . . . . 59 V HB . 53472 1 400 . 1 . 1 58 58 VAL HG11 H 1 0.893 . . . . . . . . 59 V HG1# . 53472 1 401 . 1 . 1 58 58 VAL HG12 H 1 0.893 . . . . . . . . 59 V HG1# . 53472 1 402 . 1 . 1 58 58 VAL HG13 H 1 0.893 . . . . . . . . 59 V HG1# . 53472 1 403 . 1 . 1 58 58 VAL C C 13 175.978 . . . . . . . . 59 V C . 53472 1 404 . 1 . 1 58 58 VAL CA C 13 62.116 . . . . . . . . 59 V CA . 53472 1 405 . 1 . 1 58 58 VAL CB C 13 32.780 . . . . . . . . 59 V CB . 53472 1 406 . 1 . 1 58 58 VAL CG1 C 13 20.929 . . . . . . . . 59 V CG1 . 53472 1 407 . 1 . 1 58 58 VAL N N 15 119.491 . . . . . . . . 59 V N . 53472 1 408 . 1 . 1 59 59 THR H H 1 8.163 . . . . . . . . 60 T H . 53472 1 409 . 1 . 1 59 59 THR HA H 1 4.091 . . . . . . . . 60 T HA . 53472 1 410 . 1 . 1 59 59 THR C C 13 173.537 . . . . . . . . 60 T C . 53472 1 411 . 1 . 1 59 59 THR CA C 13 61.386 . . . . . . . . 60 T CA . 53472 1 412 . 1 . 1 59 59 THR CB C 13 70.021 . . . . . . . . 60 T CB . 53472 1 413 . 1 . 1 59 59 THR CG2 C 13 21.532 . . . . . . . . 60 T CG2 . 53472 1 414 . 1 . 1 59 59 THR N N 15 118.038 . . . . . . . . 60 T N . 53472 1 415 . 1 . 1 60 60 PHE H H 1 8.365 . . . . . . . . 61 F H . 53472 1 416 . 1 . 1 60 60 PHE HA H 1 4.711 . . . . . . . . 61 F HA . 53472 1 417 . 1 . 1 60 60 PHE HB2 H 1 2.943 . . . . . . . . 61 F HB2 . 53472 1 418 . 1 . 1 60 60 PHE HB3 H 1 2.737 . . . . . . . . 61 F HB3 . 53472 1 419 . 1 . 1 60 60 PHE C C 13 173.981 . . . . . . . . 61 F C . 53472 1 420 . 1 . 1 60 60 PHE CA C 13 55.297 . . . . . . . . 61 F CA . 53472 1 421 . 1 . 1 60 60 PHE CB C 13 39.077 . . . . . . . . 61 F CB . 53472 1 422 . 1 . 1 60 60 PHE N N 15 123.419 . . . . . . . . 61 F N . 53472 1 423 . 1 . 1 61 61 PRO HA H 1 4.393 . . . . . . . . 62 P HA . 53472 1 424 . 1 . 1 61 61 PRO C C 13 177.474 . . . . . . . . 62 P C . 53472 1 425 . 1 . 1 61 61 PRO CA C 13 63.708 . . . . . . . . 62 P CA . 53472 1 426 . 1 . 1 61 61 PRO CB C 13 31.766 . . . . . . . . 62 P CB . 53472 1 427 . 1 . 1 62 62 GLY H H 1 8.256 . . . . . . . . 63 G H . 53472 1 428 . 1 . 1 62 62 GLY HA2 H 1 3.816 . . . . . . . . 63 G HA# . 53472 1 429 . 1 . 1 62 62 GLY HA3 H 1 3.816 . . . . . . . . 63 G HA# . 53472 1 430 . 1 . 1 62 62 GLY C C 13 173.846 . . . . . . . . 63 G C . 53472 1 431 . 1 . 1 62 62 GLY CA C 13 45.302 . . . . . . . . 63 G CA . 53472 1 432 . 1 . 1 62 62 GLY N N 15 109.476 . . . . . . . . 63 G N . 53472 1 433 . 1 . 1 63 63 ALA H H 1 8.051 . . . . . . . . 64 A H . 53472 1 434 . 1 . 1 63 63 ALA HA H 1 4.271 . . . . . . . . 64 A HA . 53472 1 435 . 1 . 1 63 63 ALA HB1 H 1 1.119 . . . . . . . . 64 A HB# . 53472 1 436 . 1 . 1 63 63 ALA HB2 H 1 1.119 . . . . . . . . 64 A HB# . 53472 1 437 . 1 . 1 63 63 ALA HB3 H 1 1.119 . . . . . . . . 64 A HB# . 53472 1 438 . 1 . 1 63 63 ALA C C 13 177.570 . . . . . . . . 64 A C . 53472 1 439 . 1 . 1 63 63 ALA CA C 13 52.501 . . . . . . . . 64 A CA . 53472 1 440 . 1 . 1 63 63 ALA CB C 13 19.501 . . . . . . . . 64 A CB . 53472 1 441 . 1 . 1 63 63 ALA N N 15 123.245 . . . . . . . . 64 A N . 53472 1 442 . 1 . 1 64 64 LEU H H 1 8.300 . . . . . . . . 65 L H . 53472 1 443 . 1 . 1 64 64 LEU HA H 1 4.137 . . . . . . . . 65 L HA . 53472 1 444 . 1 . 1 64 64 LEU C C 13 177.077 . . . . . . . . 65 L C . 53472 1 445 . 1 . 1 64 64 LEU CA C 13 54.941 . . . . . . . . 65 L CA . 53472 1 446 . 1 . 1 64 64 LEU CB C 13 42.296 . . . . . . . . 65 L CB . 53472 1 447 . 1 . 1 64 64 LEU N N 15 121.324 . . . . . . . . 65 L N . 53472 1 448 . 1 . 1 65 65 VAL H H 1 8.174 . . . . . . . . 66 V H . 53472 1 449 . 1 . 1 65 65 VAL HA H 1 4.201 . . . . . . . . 66 V HA . 53472 1 450 . 1 . 1 65 65 VAL HB H 1 1.883 . . . . . . . . 66 V HB . 53472 1 451 . 1 . 1 65 65 VAL HG11 H 1 0.730 . . . . . . . . 66 V HG1# . 53472 1 452 . 1 . 1 65 65 VAL HG12 H 1 0.730 . . . . . . . . 66 V HG1# . 53472 1 453 . 1 . 1 65 65 VAL HG13 H 1 0.730 . . . . . . . . 66 V HG1# . 53472 1 454 . 1 . 1 65 65 VAL C C 13 174.411 . . . . . . . . 66 V C . 53472 1 455 . 1 . 1 65 65 VAL CA C 13 59.651 . . . . . . . . 66 V CA . 53472 1 456 . 1 . 1 65 65 VAL CB C 13 32.550 . . . . . . . . 66 V CB . 53472 1 457 . 1 . 1 65 65 VAL N N 15 122.701 . . . . . . . . 66 V N . 53472 1 458 . 1 . 1 66 66 PRO HA H 1 4.386 . . . . . . . . 67 P HA . 53472 1 459 . 1 . 1 66 66 PRO C C 13 177.640 . . . . . . . . 67 P C . 53472 1 460 . 1 . 1 66 66 PRO CA C 13 63.548 . . . . . . . . 67 P CA . 53472 1 461 . 1 . 1 66 66 PRO CB C 13 31.973 . . . . . . . . 67 P CB . 53472 1 462 . 1 . 1 66 66 PRO CG C 13 27.572 . . . . . . . . 67 P CG . 53472 1 463 . 1 . 1 67 67 GLY H H 1 8.720 . . . . . . . . 68 G H . 53472 1 464 . 1 . 1 67 67 GLY HA2 H 1 3.774 . . . . . . . . 68 G HA# . 53472 1 465 . 1 . 1 67 67 GLY HA3 H 1 3.774 . . . . . . . . 68 G HA# . 53472 1 466 . 1 . 1 67 67 GLY C C 13 174.834 . . . . . . . . 68 G C . 53472 1 467 . 1 . 1 67 67 GLY CA C 13 45.389 . . . . . . . . 68 G CA . 53472 1 468 . 1 . 1 67 67 GLY N N 15 110.524 . . . . . . . . 68 G N . 53472 1 469 . 1 . 1 68 68 GLY H H 1 8.402 . . . . . . . . 69 G H . 53472 1 470 . 1 . 1 68 68 GLY HA2 H 1 3.804 . . . . . . . . 69 G HA# . 53472 1 471 . 1 . 1 68 68 GLY HA3 H 1 3.804 . . . . . . . . 69 G HA# . 53472 1 472 . 1 . 1 68 68 GLY C C 13 174.300 . . . . . . . . 69 G C . 53472 1 473 . 1 . 1 68 68 GLY CA C 13 45.345 . . . . . . . . 69 G CA . 53472 1 474 . 1 . 1 68 68 GLY N N 15 108.912 . . . . . . . . 69 G N . 53472 1 475 . 1 . 1 69 69 VAL H H 1 8.130 . . . . . . . . 70 V H . 53472 1 476 . 1 . 1 69 69 VAL HA H 1 4.093 . . . . . . . . 70 V HA . 53472 1 477 . 1 . 1 69 69 VAL C C 13 176.463 . . . . . . . . 70 V C . 53472 1 478 . 1 . 1 69 69 VAL CA C 13 62.645 . . . . . . . . 70 V CA . 53472 1 479 . 1 . 1 69 69 VAL CB C 13 32.586 . . . . . . . . 70 V CB . 53472 1 480 . 1 . 1 69 69 VAL CG1 C 13 20.846 . . . . . . . . 70 V CG1 . 53472 1 481 . 1 . 1 69 69 VAL N N 15 119.609 . . . . . . . . 70 V N . 53472 1 482 . 1 . 1 70 70 ALA H H 1 8.535 . . . . . . . . 71 A H . 53472 1 483 . 1 . 1 70 70 ALA HA H 1 4.157 . . . . . . . . 71 A HA . 53472 1 484 . 1 . 1 70 70 ALA HB1 H 1 1.182 . . . . . . . . 71 A HB# . 53472 1 485 . 1 . 1 70 70 ALA HB2 H 1 1.182 . . . . . . . . 71 A HB# . 53472 1 486 . 1 . 1 70 70 ALA HB3 H 1 1.182 . . . . . . . . 71 A HB# . 53472 1 487 . 1 . 1 70 70 ALA C C 13 178.054 . . . . . . . . 71 A C . 53472 1 488 . 1 . 1 70 70 ALA CA C 13 53.073 . . . . . . . . 71 A CA . 53472 1 489 . 1 . 1 70 70 ALA CB C 13 19.004 . . . . . . . . 71 A CB . 53472 1 490 . 1 . 1 70 70 ALA N N 15 127.291 . . . . . . . . 71 A N . 53472 1 491 . 1 . 1 71 71 ASP H H 1 8.300 . . . . . . . . 72 D H . 53472 1 492 . 1 . 1 71 71 ASP HA H 1 4.463 . . . . . . . . 72 D HA . 53472 1 493 . 1 . 1 71 71 ASP HB2 H 1 2.592 . . . . . . . . 72 D HB2 . 53472 1 494 . 1 . 1 71 71 ASP C C 13 176.817 . . . . . . . . 72 D C . 53472 1 495 . 1 . 1 71 71 ASP CA C 13 54.547 . . . . . . . . 72 D CA . 53472 1 496 . 1 . 1 71 71 ASP CB C 13 41.100 . . . . . . . . 72 D CB . 53472 1 497 . 1 . 1 71 71 ASP N N 15 119.912 . . . . . . . . 72 D N . 53472 1 498 . 1 . 1 72 72 ALA H H 1 8.390 . . . . . . . . 73 A H . 53472 1 499 . 1 . 1 72 72 ALA HA H 1 4.058 . . . . . . . . 73 A HA . 53472 1 500 . 1 . 1 72 72 ALA HB1 H 1 1.228 . . . . . . . . 73 A HB# . 53472 1 501 . 1 . 1 72 72 ALA HB2 H 1 1.228 . . . . . . . . 73 A HB# . 53472 1 502 . 1 . 1 72 72 ALA HB3 H 1 1.228 . . . . . . . . 73 A HB# . 53472 1 503 . 1 . 1 72 72 ALA C C 13 178.790 . . . . . . . . 73 A C . 53472 1 504 . 1 . 1 72 72 ALA CA C 13 53.973 . . . . . . . . 73 A CA . 53472 1 505 . 1 . 1 72 72 ALA CB C 13 18.728 . . . . . . . . 73 A CB . 53472 1 506 . 1 . 1 72 72 ALA N N 15 125.388 . . . . . . . . 73 A N . 53472 1 507 . 1 . 1 73 73 ALA H H 1 8.297 . . . . . . . . 74 A H . 53472 1 508 . 1 . 1 73 73 ALA HA H 1 4.201 . . . . . . . . 74 A HA . 53472 1 509 . 1 . 1 73 73 ALA C C 13 178.990 . . . . . . . . 74 A C . 53472 1 510 . 1 . 1 73 73 ALA CA C 13 53.622 . . . . . . . . 74 A CA . 53472 1 511 . 1 . 1 73 73 ALA CB C 13 18.499 . . . . . . . . 74 A CB . 53472 1 512 . 1 . 1 73 73 ALA N N 15 121.882 . . . . . . . . 74 A N . 53472 1 513 . 1 . 1 74 74 ALA H H 1 8.070 . . . . . . . . 75 A H . 53472 1 514 . 1 . 1 74 74 ALA HA H 1 4.085 . . . . . . . . 75 A HA . 53472 1 515 . 1 . 1 74 74 ALA HB1 H 1 1.228 . . . . . . . . 75 A HB# . 53472 1 516 . 1 . 1 74 74 ALA HB2 H 1 1.228 . . . . . . . . 75 A HB# . 53472 1 517 . 1 . 1 74 74 ALA HB3 H 1 1.228 . . . . . . . . 75 A HB# . 53472 1 518 . 1 . 1 74 74 ALA C C 13 179.064 . . . . . . . . 75 A C . 53472 1 519 . 1 . 1 74 74 ALA CA C 13 53.630 . . . . . . . . 75 A CA . 53472 1 520 . 1 . 1 74 74 ALA CB C 13 18.585 . . . . . . . . 75 A CB . 53472 1 521 . 1 . 1 74 74 ALA N N 15 122.261 . . . . . . . . 75 A N . 53472 1 522 . 1 . 1 75 75 ALA H H 1 8.147 . . . . . . . . 76 A H . 53472 1 523 . 1 . 1 75 75 ALA HA H 1 3.985 . . . . . . . . 76 A HA . 53472 1 524 . 1 . 1 75 75 ALA HB1 H 1 1.185 . . . . . . . . 76 A HB# . 53472 1 525 . 1 . 1 75 75 ALA HB2 H 1 1.185 . . . . . . . . 76 A HB# . 53472 1 526 . 1 . 1 75 75 ALA HB3 H 1 1.185 . . . . . . . . 76 A HB# . 53472 1 527 . 1 . 1 75 75 ALA C C 13 178.829 . . . . . . . . 76 A C . 53472 1 528 . 1 . 1 75 75 ALA CA C 13 53.644 . . . . . . . . 76 A CA . 53472 1 529 . 1 . 1 75 75 ALA CB C 13 18.583 . . . . . . . . 76 A CB . 53472 1 530 . 1 . 1 75 75 ALA N N 15 122.215 . . . . . . . . 76 A N . 53472 1 531 . 1 . 1 76 76 TYR H H 1 8.095 . . . . . . . . 77 Y H . 53472 1 532 . 1 . 1 76 76 TYR HA H 1 4.296 . . . . . . . . 77 Y HA . 53472 1 533 . 1 . 1 76 76 TYR HB2 H 1 2.868 . . . . . . . . 77 Y HB2 . 53472 1 534 . 1 . 1 76 76 TYR C C 13 176.560 . . . . . . . . 77 Y C . 53472 1 535 . 1 . 1 76 76 TYR CA C 13 59.368 . . . . . . . . 77 Y CA . 53472 1 536 . 1 . 1 76 76 TYR CB C 13 38.348 . . . . . . . . 77 Y CB . 53472 1 537 . 1 . 1 76 76 TYR N N 15 119.777 . . . . . . . . 77 Y N . 53472 1 538 . 1 . 1 77 77 LYS H H 1 8.009 . . . . . . . . 78 K H . 53472 1 539 . 1 . 1 77 77 LYS HA H 1 3.854 . . . . . . . . 78 K HA . 53472 1 540 . 1 . 1 77 77 LYS C C 13 177.163 . . . . . . . . 78 K C . 53472 1 541 . 1 . 1 77 77 LYS CA C 13 57.539 . . . . . . . . 78 K CA . 53472 1 542 . 1 . 1 77 77 LYS CB C 13 32.905 . . . . . . . . 78 K CB . 53472 1 543 . 1 . 1 77 77 LYS CG C 13 24.917 . . . . . . . . 78 K CG . 53472 1 544 . 1 . 1 77 77 LYS N N 15 121.975 . . . . . . . . 78 K N . 53472 1 545 . 1 . 1 78 78 ALA H H 1 8.098 . . . . . . . . 79 A H . 53472 1 546 . 1 . 1 78 78 ALA HA H 1 3.999 . . . . . . . . 79 A HA . 53472 1 547 . 1 . 1 78 78 ALA C C 13 178.412 . . . . . . . . 79 A C . 53472 1 548 . 1 . 1 78 78 ALA CA C 13 53.176 . . . . . . . . 79 A CA . 53472 1 549 . 1 . 1 78 78 ALA CB C 13 18.743 . . . . . . . . 79 A CB . 53472 1 550 . 1 . 1 78 78 ALA N N 15 123.566 . . . . . . . . 79 A N . 53472 1 551 . 1 . 1 79 79 ALA H H 1 8.111 . . . . . . . . 80 A H . 53472 1 552 . 1 . 1 79 79 ALA HA H 1 4.017 . . . . . . . . 80 A HA . 53472 1 553 . 1 . 1 79 79 ALA HB1 H 1 1.208 . . . . . . . . 80 A HB# . 53472 1 554 . 1 . 1 79 79 ALA HB2 H 1 1.208 . . . . . . . . 80 A HB# . 53472 1 555 . 1 . 1 79 79 ALA HB3 H 1 1.208 . . . . . . . . 80 A HB# . 53472 1 556 . 1 . 1 79 79 ALA C C 13 178.611 . . . . . . . . 80 A C . 53472 1 557 . 1 . 1 79 79 ALA CA C 13 53.008 . . . . . . . . 80 A CA . 53472 1 558 . 1 . 1 79 79 ALA CB C 13 18.911 . . . . . . . . 80 A CB . 53472 1 559 . 1 . 1 79 79 ALA N N 15 122.574 . . . . . . . . 80 A N . 53472 1 560 . 1 . 1 80 80 LYS H H 1 8.128 . . . . . . . . 81 K H . 53472 1 561 . 1 . 1 80 80 LYS HA H 1 3.981 . . . . . . . . 81 K HA . 53472 1 562 . 1 . 1 80 80 LYS C C 13 176.956 . . . . . . . . 81 K C . 53472 1 563 . 1 . 1 80 80 LYS CA C 13 56.655 . . . . . . . . 81 K CA . 53472 1 564 . 1 . 1 80 80 LYS CB C 13 32.584 . . . . . . . . 81 K CB . 53472 1 565 . 1 . 1 80 80 LYS CG C 13 24.493 . . . . . . . . 81 K CG . 53472 1 566 . 1 . 1 80 80 LYS N N 15 119.886 . . . . . . . . 81 K N . 53472 1 567 . 1 . 1 81 81 ALA H H 1 8.178 . . . . . . . . 82 A H . 53472 1 568 . 1 . 1 81 81 ALA HA H 1 4.270 . . . . . . . . 82 A HA . 53472 1 569 . 1 . 1 81 81 ALA HB1 H 1 1.204 . . . . . . . . 82 A HB# . 53472 1 570 . 1 . 1 81 81 ALA HB2 H 1 1.204 . . . . . . . . 82 A HB# . 53472 1 571 . 1 . 1 81 81 ALA HB3 H 1 1.204 . . . . . . . . 82 A HB# . 53472 1 572 . 1 . 1 81 81 ALA C C 13 178.549 . . . . . . . . 82 A C . 53472 1 573 . 1 . 1 81 81 ALA CA C 13 52.957 . . . . . . . . 82 A CA . 53472 1 574 . 1 . 1 81 81 ALA CB C 13 19.041 . . . . . . . . 82 A CB . 53472 1 575 . 1 . 1 81 81 ALA N N 15 124.223 . . . . . . . . 82 A N . 53472 1 576 . 1 . 1 82 82 GLY H H 1 8.330 . . . . . . . . 83 G H . 53472 1 577 . 1 . 1 82 82 GLY HA2 H 1 3.748 . . . . . . . . 83 G HA# . 53472 1 578 . 1 . 1 82 82 GLY HA3 H 1 3.748 . . . . . . . . 83 G HA# . 53472 1 579 . 1 . 1 82 82 GLY C C 13 174.148 . . . . . . . . 83 G C . 53472 1 580 . 1 . 1 82 82 GLY CA C 13 45.149 . . . . . . . . 83 G CA . 53472 1 581 . 1 . 1 82 82 GLY N N 15 108.047 . . . . . . . . 83 G N . 53472 1 582 . 1 . 1 83 83 ALA H H 1 8.163 . . . . . . . . 84 A H . 53472 1 583 . 1 . 1 83 83 ALA HA H 1 4.324 . . . . . . . . 84 A HA . 53472 1 584 . 1 . 1 83 83 ALA C C 13 178.323 . . . . . . . . 84 A C . 53472 1 585 . 1 . 1 83 83 ALA CA C 13 52.743 . . . . . . . . 84 A CA . 53472 1 586 . 1 . 1 83 83 ALA CB C 13 19.417 . . . . . . . . 84 A CB . 53472 1 587 . 1 . 1 83 83 ALA N N 15 123.734 . . . . . . . . 84 A N . 53472 1 588 . 1 . 1 84 84 GLY H H 1 8.468 . . . . . . . . 85 G H . 53472 1 589 . 1 . 1 84 84 GLY HA2 H 1 3.954 . . . . . . . . 85 G HA# . 53472 1 590 . 1 . 1 84 84 GLY HA3 H 1 3.954 . . . . . . . . 85 G HA# . 53472 1 591 . 1 . 1 84 84 GLY C C 13 174.470 . . . . . . . . 85 G C . 53472 1 592 . 1 . 1 84 84 GLY CA C 13 45.235 . . . . . . . . 85 G CA . 53472 1 593 . 1 . 1 84 84 GLY N N 15 108.135 . . . . . . . . 85 G N . 53472 1 594 . 1 . 1 85 85 LEU H H 1 8.236 . . . . . . . . 86 L H . 53472 1 595 . 1 . 1 85 85 LEU HA H 1 4.258 . . . . . . . . 86 L HA . 53472 1 596 . 1 . 1 85 85 LEU C C 13 178.196 . . . . . . . . 86 L C . 53472 1 597 . 1 . 1 85 85 LEU CA C 13 55.358 . . . . . . . . 86 L CA . 53472 1 598 . 1 . 1 85 85 LEU CB C 13 42.305 . . . . . . . . 86 L CB . 53472 1 599 . 1 . 1 85 85 LEU N N 15 121.615 . . . . . . . . 86 L N . 53472 1 600 . 1 . 1 86 86 GLY H H 1 8.601 . . . . . . . . 87 G H . 53472 1 601 . 1 . 1 86 86 GLY HA2 H 1 3.854 . . . . . . . . 87 G HA# . 53472 1 602 . 1 . 1 86 86 GLY HA3 H 1 3.854 . . . . . . . . 87 G HA# . 53472 1 603 . 1 . 1 86 86 GLY C C 13 174.631 . . . . . . . . 87 G C . 53472 1 604 . 1 . 1 86 86 GLY CA C 13 45.338 . . . . . . . . 87 G CA . 53472 1 605 . 1 . 1 86 86 GLY N N 15 109.708 . . . . . . . . 87 G N . 53472 1 606 . 1 . 1 87 87 GLY H H 1 8.283 . . . . . . . . 88 G H . 53472 1 607 . 1 . 1 87 87 GLY HA2 H 1 3.754 . . . . . . . . 88 G HA# . 53472 1 608 . 1 . 1 87 87 GLY HA3 H 1 3.754 . . . . . . . . 88 G HA# . 53472 1 609 . 1 . 1 87 87 GLY C C 13 173.713 . . . . . . . . 88 G C . 53472 1 610 . 1 . 1 87 87 GLY CA C 13 45.089 . . . . . . . . 88 G CA . 53472 1 611 . 1 . 1 87 87 GLY N N 15 108.642 . . . . . . . . 88 G N . 53472 1 612 . 1 . 1 88 88 VAL H H 1 8.133 . . . . . . . . 89 V H . 53472 1 613 . 1 . 1 88 88 VAL HA H 1 4.233 . . . . . . . . 89 V HA . 53472 1 614 . 1 . 1 88 88 VAL HB H 1 1.874 . . . . . . . . 89 V HB . 53472 1 615 . 1 . 1 88 88 VAL C C 13 174.633 . . . . . . . . 89 V C . 53472 1 616 . 1 . 1 88 88 VAL CA C 13 59.885 . . . . . . . . 89 V CA . 53472 1 617 . 1 . 1 88 88 VAL CB C 13 32.622 . . . . . . . . 89 V CB . 53472 1 618 . 1 . 1 88 88 VAL N N 15 121.275 . . . . . . . . 89 V N . 53472 1 619 . 1 . 1 89 89 PRO HA H 1 4.389 . . . . . . . . 90 P HA . 53472 1 620 . 1 . 1 89 89 PRO C C 13 177.509 . . . . . . . . 90 P C . 53472 1 621 . 1 . 1 89 89 PRO CA C 13 63.496 . . . . . . . . 90 P CA . 53472 1 622 . 1 . 1 89 89 PRO CB C 13 32.070 . . . . . . . . 90 P CB . 53472 1 623 . 1 . 1 89 89 PRO CG C 13 27.358 . . . . . . . . 90 P CG . 53472 1 624 . 1 . 1 89 89 PRO N N 15 140.174 . . . . . . . . 90 P N . 53472 1 625 . 1 . 1 90 90 GLY H H 1 8.522 . . . . . . . . 91 G H . 53472 1 626 . 1 . 1 90 90 GLY HA2 H 1 3.883 . . . . . . . . 91 G HA# . 53472 1 627 . 1 . 1 90 90 GLY HA3 H 1 3.883 . . . . . . . . 91 G HA# . 53472 1 628 . 1 . 1 90 90 GLY C C 13 174.340 . . . . . . . . 91 G C . 53472 1 629 . 1 . 1 90 90 GLY CA C 13 45.290 . . . . . . . . 91 G CA . 53472 1 630 . 1 . 1 90 90 GLY N N 15 109.562 . . . . . . . . 91 G N . 53472 1 631 . 1 . 1 91 91 VAL H H 1 8.119 . . . . . . . . 92 V H . 53472 1 632 . 1 . 1 91 91 VAL HA H 1 4.054 . . . . . . . . 92 V HA . 53472 1 633 . 1 . 1 91 91 VAL HB H 1 1.910 . . . . . . . . 92 V HB . 53472 1 634 . 1 . 1 91 91 VAL HG11 H 1 0.742 . . . . . . . . 92 V HG1# . 53472 1 635 . 1 . 1 91 91 VAL HG12 H 1 0.742 . . . . . . . . 92 V HG1# . 53472 1 636 . 1 . 1 91 91 VAL HG13 H 1 0.742 . . . . . . . . 92 V HG1# . 53472 1 637 . 1 . 1 91 91 VAL C C 13 176.978 . . . . . . . . 92 V C . 53472 1 638 . 1 . 1 91 91 VAL CA C 13 62.459 . . . . . . . . 92 V CA . 53472 1 639 . 1 . 1 91 91 VAL CB C 13 32.510 . . . . . . . . 92 V CB . 53472 1 640 . 1 . 1 91 91 VAL CG1 C 13 20.804 . . . . . . . . 92 V CG1 . 53472 1 641 . 1 . 1 91 91 VAL N N 15 119.430 . . . . . . . . 92 V N . 53472 1 642 . 1 . 1 92 92 GLY H H 1 8.686 . . . . . . . . 93 G H . 53472 1 643 . 1 . 1 92 92 GLY HA2 H 1 3.977 . . . . . . . . 93 G HA# . 53472 1 644 . 1 . 1 92 92 GLY HA3 H 1 3.977 . . . . . . . . 93 G HA# . 53472 1 645 . 1 . 1 92 92 GLY C C 13 174.670 . . . . . . . . 93 G C . 53472 1 646 . 1 . 1 92 92 GLY CA C 13 45.451 . . . . . . . . 93 G CA . 53472 1 647 . 1 . 1 92 92 GLY N N 15 112.792 . . . . . . . . 93 G N . 53472 1 648 . 1 . 1 93 93 GLY H H 1 8.342 . . . . . . . . 94 G H . 53472 1 649 . 1 . 1 93 93 GLY HA2 H 1 3.867 . . . . . . . . 94 G HA# . 53472 1 650 . 1 . 1 93 93 GLY HA3 H 1 3.867 . . . . . . . . 94 G HA# . 53472 1 651 . 1 . 1 93 93 GLY C C 13 174.319 . . . . . . . . 94 G C . 53472 1 652 . 1 . 1 93 93 GLY CA C 13 45.368 . . . . . . . . 94 G CA . 53472 1 653 . 1 . 1 93 93 GLY N N 15 108.782 . . . . . . . . 94 G N . 53472 1 654 . 1 . 1 94 94 LEU H H 1 8.287 . . . . . . . . 95 L H . 53472 1 655 . 1 . 1 94 94 LEU HA H 1 4.242 . . . . . . . . 95 L HA . 53472 1 656 . 1 . 1 94 94 LEU HB2 H 1 1.435 . . . . . . . . 95 L HB2 . 53472 1 657 . 1 . 1 94 94 LEU C C 13 178.115 . . . . . . . . 95 L C . 53472 1 658 . 1 . 1 94 94 LEU CA C 13 55.411 . . . . . . . . 95 L CA . 53472 1 659 . 1 . 1 94 94 LEU CB C 13 42.353 . . . . . . . . 95 L CB . 53472 1 660 . 1 . 1 94 94 LEU N N 15 121.543 . . . . . . . . 95 L N . 53472 1 661 . 1 . 1 95 95 GLY H H 1 8.571 . . . . . . . . 96 G H . 53472 1 662 . 1 . 1 95 95 GLY HA2 H 1 3.955 . . . . . . . . 96 G HA# . 53472 1 663 . 1 . 1 95 95 GLY HA3 H 1 3.955 . . . . . . . . 96 G HA# . 53472 1 664 . 1 . 1 95 95 GLY C C 13 174.247 . . . . . . . . 96 G C . 53472 1 665 . 1 . 1 95 95 GLY CA C 13 45.402 . . . . . . . . 96 G CA . 53472 1 666 . 1 . 1 95 95 GLY N N 15 109.903 . . . . . . . . 96 G N . 53472 1 667 . 1 . 1 96 96 VAL H H 1 8.056 . . . . . . . . 97 V H . 53472 1 668 . 1 . 1 96 96 VAL HA H 1 4.177 . . . . . . . . 97 V HA . 53472 1 669 . 1 . 1 96 96 VAL HB H 1 1.892 . . . . . . . . 97 V HB . 53472 1 670 . 1 . 1 96 96 VAL HG11 H 1 0.722 . . . . . . . . 97 V HG1# . 53472 1 671 . 1 . 1 96 96 VAL HG12 H 1 0.722 . . . . . . . . 97 V HG1# . 53472 1 672 . 1 . 1 96 96 VAL HG13 H 1 0.722 . . . . . . . . 97 V HG1# . 53472 1 673 . 1 . 1 96 96 VAL C C 13 176.494 . . . . . . . . 97 V C . 53472 1 674 . 1 . 1 96 96 VAL CA C 13 62.274 . . . . . . . . 97 V CA . 53472 1 675 . 1 . 1 96 96 VAL CB C 13 32.781 . . . . . . . . 97 V CB . 53472 1 676 . 1 . 1 96 96 VAL CG1 C 13 20.716 . . . . . . . . 97 V CG1 . 53472 1 677 . 1 . 1 96 96 VAL N N 15 119.188 . . . . . . . . 97 V N . 53472 1 678 . 1 . 1 97 97 SER H H 1 8.530 . . . . . . . . 98 S H . 53472 1 679 . 1 . 1 97 97 SER HA H 1 4.321 . . . . . . . . 98 S HA . 53472 1 680 . 1 . 1 97 97 SER HB2 H 1 3.899 . . . . . . . . 98 S HB2 . 53472 1 681 . 1 . 1 97 97 SER C C 13 174.432 . . . . . . . . 98 S C . 53472 1 682 . 1 . 1 97 97 SER CA C 13 58.339 . . . . . . . . 98 S CA . 53472 1 683 . 1 . 1 97 97 SER CB C 13 63.814 . . . . . . . . 98 S CB . 53472 1 684 . 1 . 1 97 97 SER N N 15 119.776 . . . . . . . . 98 S N . 53472 1 685 . 1 . 1 98 98 ALA H H 1 8.487 . . . . . . . . 99 A H . 53472 1 686 . 1 . 1 98 98 ALA HA H 1 4.175 . . . . . . . . 99 A HA . 53472 1 687 . 1 . 1 98 98 ALA HB1 H 1 1.205 . . . . . . . . 99 A HB# . 53472 1 688 . 1 . 1 98 98 ALA HB2 H 1 1.205 . . . . . . . . 99 A HB# . 53472 1 689 . 1 . 1 98 98 ALA HB3 H 1 1.205 . . . . . . . . 99 A HB# . 53472 1 690 . 1 . 1 98 98 ALA C C 13 178.197 . . . . . . . . 99 A C . 53472 1 691 . 1 . 1 98 98 ALA CA C 13 52.887 . . . . . . . . 99 A CA . 53472 1 692 . 1 . 1 98 98 ALA CB C 13 19.118 . . . . . . . . 99 A CB . 53472 1 693 . 1 . 1 98 98 ALA N N 15 126.627 . . . . . . . . 99 A N . 53472 1 694 . 1 . 1 99 99 GLY H H 1 8.411 . . . . . . . . 100 G H . 53472 1 695 . 1 . 1 99 99 GLY HA2 H 1 3.833 . . . . . . . . 100 G HA# . 53472 1 696 . 1 . 1 99 99 GLY HA3 H 1 3.833 . . . . . . . . 100 G HA# . 53472 1 697 . 1 . 1 99 99 GLY C C 13 173.687 . . . . . . . . 100 G C . 53472 1 698 . 1 . 1 99 99 GLY CA C 13 45.106 . . . . . . . . 100 G CA . 53472 1 699 . 1 . 1 99 99 GLY N N 15 108.227 . . . . . . . . 100 G N . 53472 1 700 . 1 . 1 100 100 ALA H H 1 8.114 . . . . . . . . 101 A H . 53472 1 701 . 1 . 1 100 100 ALA HA H 1 4.232 . . . . . . . . 101 A HA . 53472 1 702 . 1 . 1 100 100 ALA HB1 H 1 1.169 . . . . . . . . 101 A HB# . 53472 1 703 . 1 . 1 100 100 ALA HB2 H 1 1.169 . . . . . . . . 101 A HB# . 53472 1 704 . 1 . 1 100 100 ALA HB3 H 1 1.169 . . . . . . . . 101 A HB# . 53472 1 705 . 1 . 1 100 100 ALA C C 13 177.602 . . . . . . . . 101 A C . 53472 1 706 . 1 . 1 100 100 ALA CA C 13 52.254 . . . . . . . . 101 A CA . 53472 1 707 . 1 . 1 100 100 ALA CB C 13 19.482 . . . . . . . . 101 A CB . 53472 1 708 . 1 . 1 100 100 ALA N N 15 123.782 . . . . . . . . 101 A N . 53472 1 709 . 1 . 1 101 101 VAL H H 1 8.262 . . . . . . . . 102 V H . 53472 1 710 . 1 . 1 101 101 VAL HA H 1 4.106 . . . . . . . . 102 V HA . 53472 1 711 . 1 . 1 101 101 VAL HB H 1 1.815 . . . . . . . . 102 V HB . 53472 1 712 . 1 . 1 101 101 VAL HG11 H 1 0.704 . . . . . . . . 102 V HG1# . 53472 1 713 . 1 . 1 101 101 VAL HG12 H 1 0.704 . . . . . . . . 102 V HG1# . 53472 1 714 . 1 . 1 101 101 VAL HG13 H 1 0.704 . . . . . . . . 102 V HG1# . 53472 1 715 . 1 . 1 101 101 VAL C C 13 176.149 . . . . . . . . 102 V C . 53472 1 716 . 1 . 1 101 101 VAL CA C 13 62.267 . . . . . . . . 102 V CA . 53472 1 717 . 1 . 1 101 101 VAL CB C 13 32.598 . . . . . . . . 102 V CB . 53472 1 718 . 1 . 1 101 101 VAL CG1 C 13 20.925 . . . . . . . . 102 V CG1 . 53472 1 719 . 1 . 1 101 101 VAL N N 15 120.530 . . . . . . . . 102 V N . 53472 1 720 . 1 . 1 102 102 VAL H H 1 8.427 . . . . . . . . 103 V H . 53472 1 721 . 1 . 1 102 102 VAL HA H 1 4.229 . . . . . . . . 103 V HA . 53472 1 722 . 1 . 1 102 102 VAL HB H 1 1.865 . . . . . . . . 103 V HB . 53472 1 723 . 1 . 1 102 102 VAL HG11 H 1 0.754 . . . . . . . . 103 V HG1# . 53472 1 724 . 1 . 1 102 102 VAL HG12 H 1 0.754 . . . . . . . . 103 V HG1# . 53472 1 725 . 1 . 1 102 102 VAL HG13 H 1 0.754 . . . . . . . . 103 V HG1# . 53472 1 726 . 1 . 1 102 102 VAL C C 13 174.325 . . . . . . . . 103 V C . 53472 1 727 . 1 . 1 102 102 VAL CA C 13 59.784 . . . . . . . . 103 V CA . 53472 1 728 . 1 . 1 102 102 VAL CB C 13 32.590 . . . . . . . . 103 V CB . 53472 1 729 . 1 . 1 102 102 VAL N N 15 127.131 . . . . . . . . 103 V N . 53472 1 730 . 1 . 1 103 103 PRO HA H 1 4.404 . . . . . . . . 104 P HA . 53472 1 731 . 1 . 1 103 103 PRO C C 13 176.528 . . . . . . . . 104 P C . 53472 1 732 . 1 . 1 103 103 PRO CA C 13 62.899 . . . . . . . . 104 P CA . 53472 1 733 . 1 . 1 103 103 PRO CB C 13 32.058 . . . . . . . . 104 P CB . 53472 1 734 . 1 . 1 103 103 PRO CG C 13 27.374 . . . . . . . . 104 P CG . 53472 1 735 . 1 . 1 104 104 GLN H H 1 8.572 . . . . . . . . 105 Q H . 53472 1 736 . 1 . 1 104 104 GLN HA H 1 4.403 . . . . . . . . 105 Q HA . 53472 1 737 . 1 . 1 104 104 GLN HB2 H 1 1.714 . . . . . . . . 105 Q HB2 . 53472 1 738 . 1 . 1 104 104 GLN HB3 H 1 1.913 . . . . . . . . 105 Q HB3 . 53472 1 739 . 1 . 1 104 104 GLN HG2 H 1 2.236 . . . . . . . . 105 Q HG2 . 53472 1 740 . 1 . 1 104 104 GLN HE21 H 1 7.667 . . . . . . . . 105 Q HE21 . 53472 1 741 . 1 . 1 104 104 GLN HE22 H 1 6.993 . . . . . . . . 105 Q HE22 . 53472 1 742 . 1 . 1 104 104 GLN C C 13 174.255 . . . . . . . . 105 Q C . 53472 1 743 . 1 . 1 104 104 GLN CA C 13 53.432 . . . . . . . . 105 Q CA . 53472 1 744 . 1 . 1 104 104 GLN CB C 13 28.947 . . . . . . . . 105 Q CB . 53472 1 745 . 1 . 1 104 104 GLN N N 15 121.884 . . . . . . . . 105 Q N . 53472 1 746 . 1 . 1 104 104 GLN NE2 N 15 113.632 . . . . . . . . 105 Q NE2 . 53472 1 747 . 1 . 1 105 105 PRO HA H 1 4.400 . . . . . . . . 106 P HA . 53472 1 748 . 1 . 1 105 105 PRO C C 13 177.611 . . . . . . . . 106 P C . 53472 1 749 . 1 . 1 105 105 PRO CA C 13 63.619 . . . . . . . . 106 P CA . 53472 1 750 . 1 . 1 105 105 PRO CB C 13 31.923 . . . . . . . . 106 P CB . 53472 1 751 . 1 . 1 105 105 PRO CG C 13 27.468 . . . . . . . . 106 P CG . 53472 1 752 . 1 . 1 105 105 PRO CD C 13 51.073 . . . . . . . . 106 P CD . 53472 1 753 . 1 . 1 105 105 PRO N N 15 137.719 . . . . . . . . 106 P N . 53472 1 754 . 1 . 1 106 106 GLY H H 1 8.650 . . . . . . . . 107 G H . 53472 1 755 . 1 . 1 106 106 GLY HA2 H 1 3.849 . . . . . . . . 107 G HA# . 53472 1 756 . 1 . 1 106 106 GLY HA3 H 1 3.849 . . . . . . . . 107 G HA# . 53472 1 757 . 1 . 1 106 106 GLY C C 13 174.053 . . . . . . . . 107 G C . 53472 1 758 . 1 . 1 106 106 GLY CA C 13 45.370 . . . . . . . . 107 G CA . 53472 1 759 . 1 . 1 106 106 GLY N N 15 110.211 . . . . . . . . 107 G N . 53472 1 760 . 1 . 1 107 107 ALA H H 1 8.235 . . . . . . . . 108 A H . 53472 1 761 . 1 . 1 107 107 ALA HA H 1 4.223 . . . . . . . . 108 A HA . 53472 1 762 . 1 . 1 107 107 ALA HB1 H 1 1.199 . . . . . . . . 108 A HB# . 53472 1 763 . 1 . 1 107 107 ALA HB2 H 1 1.199 . . . . . . . . 108 A HB# . 53472 1 764 . 1 . 1 107 107 ALA HB3 H 1 1.199 . . . . . . . . 108 A HB# . 53472 1 765 . 1 . 1 107 107 ALA C C 13 178.369 . . . . . . . . 108 A C . 53472 1 766 . 1 . 1 107 107 ALA CA C 13 52.739 . . . . . . . . 108 A CA . 53472 1 767 . 1 . 1 107 107 ALA CB C 13 19.413 . . . . . . . . 108 A CB . 53472 1 768 . 1 . 1 107 107 ALA N N 15 123.688 . . . . . . . . 108 A N . 53472 1 769 . 1 . 1 108 108 GLY H H 1 8.537 . . . . . . . . 109 G H . 53472 1 770 . 1 . 1 108 108 GLY HA2 H 1 3.956 . . . . . . . . 109 G HA# . 53472 1 771 . 1 . 1 108 108 GLY HA3 H 1 3.956 . . . . . . . . 109 G HA# . 53472 1 772 . 1 . 1 108 108 GLY C C 13 173.928 . . . . . . . . 109 G C . 53472 1 773 . 1 . 1 108 108 GLY CA C 13 45.227 . . . . . . . . 109 G CA . 53472 1 774 . 1 . 1 108 108 GLY N N 15 108.548 . . . . . . . . 109 G N . 53472 1 775 . 1 . 1 109 109 VAL H H 1 8.011 . . . . . . . . 110 V H . 53472 1 776 . 1 . 1 109 109 VAL HA H 1 4.004 . . . . . . . . 110 V HA . 53472 1 777 . 1 . 1 109 109 VAL HB H 1 1.834 . . . . . . . . 110 V HB . 53472 1 778 . 1 . 1 109 109 VAL HG11 H 1 0.923 . . . . . . . . 110 V HG1# . 53472 1 779 . 1 . 1 109 109 VAL HG12 H 1 0.923 . . . . . . . . 110 V HG1# . 53472 1 780 . 1 . 1 109 109 VAL HG13 H 1 0.923 . . . . . . . . 110 V HG1# . 53472 1 781 . 1 . 1 109 109 VAL C C 13 176.149 . . . . . . . . 110 V C . 53472 1 782 . 1 . 1 109 109 VAL CA C 13 62.137 . . . . . . . . 110 V CA . 53472 1 783 . 1 . 1 109 109 VAL CB C 13 32.706 . . . . . . . . 110 V CB . 53472 1 784 . 1 . 1 109 109 VAL CG1 C 13 20.856 . . . . . . . . 110 V CG1 . 53472 1 785 . 1 . 1 109 109 VAL N N 15 119.834 . . . . . . . . 110 V N . 53472 1 786 . 1 . 1 110 110 LYS H H 1 8.593 . . . . . . . . 111 K H . 53472 1 787 . 1 . 1 110 110 LYS HA H 1 4.422 . . . . . . . . 111 K HA . 53472 1 788 . 1 . 1 110 110 LYS HB2 H 1 1.765 . . . . . . . . 111 K HB2 . 53472 1 789 . 1 . 1 110 110 LYS HG2 H 1 1.272 . . . . . . . . 111 K HG2 . 53472 1 790 . 1 . 1 110 110 LYS C C 13 174.443 . . . . . . . . 111 K C . 53472 1 791 . 1 . 1 110 110 LYS CA C 13 54.178 . . . . . . . . 111 K CA . 53472 1 792 . 1 . 1 110 110 LYS CB C 13 32.536 . . . . . . . . 111 K CB . 53472 1 793 . 1 . 1 110 110 LYS N N 15 127.592 . . . . . . . . 111 K N . 53472 1 794 . 1 . 1 111 111 PRO HA H 1 4.340 . . . . . . . . 112 P HA . 53472 1 795 . 1 . 1 111 111 PRO C C 13 177.457 . . . . . . . . 112 P C . 53472 1 796 . 1 . 1 111 111 PRO CA C 13 63.338 . . . . . . . . 112 P CA . 53472 1 797 . 1 . 1 111 111 PRO CB C 13 32.048 . . . . . . . . 112 P CB . 53472 1 798 . 1 . 1 111 111 PRO CG C 13 27.114 . . . . . . . . 112 P CG . 53472 1 799 . 1 . 1 111 111 PRO N N 15 136.986 . . . . . . . . 112 P N . 53472 1 800 . 1 . 1 112 112 GLY H H 1 8.552 . . . . . . . . 113 G H . 53472 1 801 . 1 . 1 112 112 GLY HA2 H 1 3.949 . . . . . . . . 113 G HA# . 53472 1 802 . 1 . 1 112 112 GLY HA3 H 1 3.949 . . . . . . . . 113 G HA# . 53472 1 803 . 1 . 1 112 112 GLY C C 13 173.838 . . . . . . . . 113 G C . 53472 1 804 . 1 . 1 112 112 GLY CA C 13 45.070 . . . . . . . . 113 G CA . 53472 1 805 . 1 . 1 112 112 GLY N N 15 109.648 . . . . . . . . 113 G N . 53472 1 806 . 1 . 1 113 113 LYS H H 1 8.252 . . . . . . . . 114 K H . 53472 1 807 . 1 . 1 113 113 LYS HA H 1 4.212 . . . . . . . . 114 K HA . 53472 1 808 . 1 . 1 113 113 LYS HB2 H 1 1.563 . . . . . . . . 114 K HB2 . 53472 1 809 . 1 . 1 113 113 LYS HG2 H 1 1.185 . . . . . . . . 114 K HG2 . 53472 1 810 . 1 . 1 113 113 LYS C C 13 176.449 . . . . . . . . 114 K C . 53472 1 811 . 1 . 1 113 113 LYS CA C 13 56.138 . . . . . . . . 114 K CA . 53472 1 812 . 1 . 1 113 113 LYS CB C 13 33.167 . . . . . . . . 114 K CB . 53472 1 813 . 1 . 1 113 113 LYS CG C 13 24.694 . . . . . . . . 114 K CG . 53472 1 814 . 1 . 1 113 113 LYS N N 15 121.329 . . . . . . . . 114 K N . 53472 1 815 . 1 . 1 114 114 VAL H H 1 8.329 . . . . . . . . 115 V H . 53472 1 816 . 1 . 1 114 114 VAL HA H 1 4.234 . . . . . . . . 115 V HA . 53472 1 817 . 1 . 1 114 114 VAL HB H 1 1.921 . . . . . . . . 115 V HB . 53472 1 818 . 1 . 1 114 114 VAL HG11 H 1 0.781 . . . . . . . . 115 V HG1# . 53472 1 819 . 1 . 1 114 114 VAL HG12 H 1 0.781 . . . . . . . . 115 V HG1# . 53472 1 820 . 1 . 1 114 114 VAL HG13 H 1 0.781 . . . . . . . . 115 V HG1# . 53472 1 821 . 1 . 1 114 114 VAL C C 13 173.857 . . . . . . . . 115 V C . 53472 1 822 . 1 . 1 114 114 VAL CA C 13 59.856 . . . . . . . . 115 V CA . 53472 1 823 . 1 . 1 114 114 VAL CB C 13 32.738 . . . . . . . . 115 V CB . 53472 1 824 . 1 . 1 114 114 VAL N N 15 124.294 . . . . . . . . 115 V N . 53472 1 825 . 1 . 1 115 115 PRO HA H 1 4.022 . . . . . . . . 116 P HA . 53472 1 826 . 1 . 1 115 115 PRO CA C 13 64.789 . . . . . . . . 116 P CA . 53472 1 827 . 1 . 1 115 115 PRO N N 15 144.173 . . . . . . . . 116 P N . 53472 1 stop_ save_