data_27236 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27236 _Entry.Title ; Resonance assignment of the central conserved region (domains 8 to 14) of human tropoelastin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-08-27 _Entry.Accession_date 2017-08-27 _Entry.Last_release_date 2017-08-28 _Entry.Original_release_date 2017-08-28 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _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.ORCID _Entry_author.Entry_ID 1 Sean Reichheld . E. . . 27236 2 Simon Sharpe . . . . 27236 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Molecular Medicine Hospital for Sick Children Toronto' . 27236 2 . 'Department of Biochemistry University of Toronto' . 27236 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27236 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 324 27236 '15N chemical shifts' 118 27236 '1H chemical shifts' 374 27236 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 . . 2017-09-27 . original BMRB . 27236 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 27236 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Resonance assignment and spectral density mapping of the central conserved region of tropoelastin ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Sean Reichheld . E. . . 27236 1 2 Simon Sharpe . . . . 27236 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27236 _Assembly.ID 1 _Assembly.Name 'hTE-CCR monomer' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'hTE-CCR monomer' 1 $hTE-CCR A . yes native no no . . . 27236 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_hTE-CCR _Entity.Sf_category entity _Entity.Sf_framecode hTE-CCR _Entity.Entry_ID 27236 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name hTE-CCR _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 ; GAVVPQPGAGVKPGKVPGVG LPGVYPGGVLPGARFPGVGV LPGVPTGAGVKPKAPGVGGA FAGIPGVGPFGGPQPGVPLG YPIKAPKLPGGYGLPYTTGK LPYGYGPGGVAGAAGKAGYP TGT ; _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 123 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 GLY . 27236 1 2 2 ALA . 27236 1 3 3 VAL . 27236 1 4 4 VAL . 27236 1 5 5 PRO . 27236 1 6 6 GLN . 27236 1 7 7 PRO . 27236 1 8 8 GLY . 27236 1 9 9 ALA . 27236 1 10 10 GLY . 27236 1 11 11 VAL . 27236 1 12 12 LYS . 27236 1 13 13 PRO . 27236 1 14 14 GLY . 27236 1 15 15 LYS . 27236 1 16 16 VAL . 27236 1 17 17 PRO . 27236 1 18 18 GLY . 27236 1 19 19 VAL . 27236 1 20 20 GLY . 27236 1 21 21 LEU . 27236 1 22 22 PRO . 27236 1 23 23 GLY . 27236 1 24 24 VAL . 27236 1 25 25 TYR . 27236 1 26 26 PRO . 27236 1 27 27 GLY . 27236 1 28 28 GLY . 27236 1 29 29 VAL . 27236 1 30 30 LEU . 27236 1 31 31 PRO . 27236 1 32 32 GLY . 27236 1 33 33 ALA . 27236 1 34 34 ARG . 27236 1 35 35 PHE . 27236 1 36 36 PRO . 27236 1 37 37 GLY . 27236 1 38 38 VAL . 27236 1 39 39 GLY . 27236 1 40 40 VAL . 27236 1 41 41 LEU . 27236 1 42 42 PRO . 27236 1 43 43 GLY . 27236 1 44 44 VAL . 27236 1 45 45 PRO . 27236 1 46 46 THR . 27236 1 47 47 GLY . 27236 1 48 48 ALA . 27236 1 49 49 GLY . 27236 1 50 50 VAL . 27236 1 51 51 LYS . 27236 1 52 52 PRO . 27236 1 53 53 LYS . 27236 1 54 54 ALA . 27236 1 55 55 PRO . 27236 1 56 56 GLY . 27236 1 57 57 VAL . 27236 1 58 58 GLY . 27236 1 59 59 GLY . 27236 1 60 60 ALA . 27236 1 61 61 PHE . 27236 1 62 62 ALA . 27236 1 63 63 GLY . 27236 1 64 64 ILE . 27236 1 65 65 PRO . 27236 1 66 66 GLY . 27236 1 67 67 VAL . 27236 1 68 68 GLY . 27236 1 69 69 PRO . 27236 1 70 70 PHE . 27236 1 71 71 GLY . 27236 1 72 72 GLY . 27236 1 73 73 PRO . 27236 1 74 74 GLN . 27236 1 75 75 PRO . 27236 1 76 76 GLY . 27236 1 77 77 VAL . 27236 1 78 78 PRO . 27236 1 79 79 LEU . 27236 1 80 80 GLY . 27236 1 81 81 TYR . 27236 1 82 82 PRO . 27236 1 83 83 ILE . 27236 1 84 84 LYS . 27236 1 85 85 ALA . 27236 1 86 86 PRO . 27236 1 87 87 LYS . 27236 1 88 88 LEU . 27236 1 89 89 PRO . 27236 1 90 90 GLY . 27236 1 91 91 GLY . 27236 1 92 92 TYR . 27236 1 93 93 GLY . 27236 1 94 94 LEU . 27236 1 95 95 PRO . 27236 1 96 96 TYR . 27236 1 97 97 THR . 27236 1 98 98 THR . 27236 1 99 99 GLY . 27236 1 100 100 LYS . 27236 1 101 101 LEU . 27236 1 102 102 PRO . 27236 1 103 103 TYR . 27236 1 104 104 GLY . 27236 1 105 105 TYR . 27236 1 106 106 GLY . 27236 1 107 107 PRO . 27236 1 108 108 GLY . 27236 1 109 109 GLY . 27236 1 110 110 VAL . 27236 1 111 111 ALA . 27236 1 112 112 GLY . 27236 1 113 113 ALA . 27236 1 114 114 ALA . 27236 1 115 115 GLY . 27236 1 116 116 LYS . 27236 1 117 117 ALA . 27236 1 118 118 GLY . 27236 1 119 119 TYR . 27236 1 120 120 PRO . 27236 1 121 121 THR . 27236 1 122 122 GLY . 27236 1 123 123 THR . 27236 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 27236 1 . ALA 2 2 27236 1 . VAL 3 3 27236 1 . VAL 4 4 27236 1 . PRO 5 5 27236 1 . GLN 6 6 27236 1 . PRO 7 7 27236 1 . GLY 8 8 27236 1 . ALA 9 9 27236 1 . GLY 10 10 27236 1 . VAL 11 11 27236 1 . LYS 12 12 27236 1 . PRO 13 13 27236 1 . GLY 14 14 27236 1 . LYS 15 15 27236 1 . VAL 16 16 27236 1 . PRO 17 17 27236 1 . GLY 18 18 27236 1 . VAL 19 19 27236 1 . GLY 20 20 27236 1 . LEU 21 21 27236 1 . PRO 22 22 27236 1 . GLY 23 23 27236 1 . VAL 24 24 27236 1 . TYR 25 25 27236 1 . PRO 26 26 27236 1 . GLY 27 27 27236 1 . GLY 28 28 27236 1 . VAL 29 29 27236 1 . LEU 30 30 27236 1 . PRO 31 31 27236 1 . GLY 32 32 27236 1 . ALA 33 33 27236 1 . ARG 34 34 27236 1 . PHE 35 35 27236 1 . PRO 36 36 27236 1 . GLY 37 37 27236 1 . VAL 38 38 27236 1 . GLY 39 39 27236 1 . VAL 40 40 27236 1 . LEU 41 41 27236 1 . PRO 42 42 27236 1 . GLY 43 43 27236 1 . VAL 44 44 27236 1 . PRO 45 45 27236 1 . THR 46 46 27236 1 . GLY 47 47 27236 1 . ALA 48 48 27236 1 . GLY 49 49 27236 1 . VAL 50 50 27236 1 . LYS 51 51 27236 1 . PRO 52 52 27236 1 . LYS 53 53 27236 1 . ALA 54 54 27236 1 . PRO 55 55 27236 1 . GLY 56 56 27236 1 . VAL 57 57 27236 1 . GLY 58 58 27236 1 . GLY 59 59 27236 1 . ALA 60 60 27236 1 . PHE 61 61 27236 1 . ALA 62 62 27236 1 . GLY 63 63 27236 1 . ILE 64 64 27236 1 . PRO 65 65 27236 1 . GLY 66 66 27236 1 . VAL 67 67 27236 1 . GLY 68 68 27236 1 . PRO 69 69 27236 1 . PHE 70 70 27236 1 . GLY 71 71 27236 1 . GLY 72 72 27236 1 . PRO 73 73 27236 1 . GLN 74 74 27236 1 . PRO 75 75 27236 1 . GLY 76 76 27236 1 . VAL 77 77 27236 1 . PRO 78 78 27236 1 . LEU 79 79 27236 1 . GLY 80 80 27236 1 . TYR 81 81 27236 1 . PRO 82 82 27236 1 . ILE 83 83 27236 1 . LYS 84 84 27236 1 . ALA 85 85 27236 1 . PRO 86 86 27236 1 . LYS 87 87 27236 1 . LEU 88 88 27236 1 . PRO 89 89 27236 1 . GLY 90 90 27236 1 . GLY 91 91 27236 1 . TYR 92 92 27236 1 . GLY 93 93 27236 1 . LEU 94 94 27236 1 . PRO 95 95 27236 1 . TYR 96 96 27236 1 . THR 97 97 27236 1 . THR 98 98 27236 1 . GLY 99 99 27236 1 . LYS 100 100 27236 1 . LEU 101 101 27236 1 . PRO 102 102 27236 1 . TYR 103 103 27236 1 . GLY 104 104 27236 1 . TYR 105 105 27236 1 . GLY 106 106 27236 1 . PRO 107 107 27236 1 . GLY 108 108 27236 1 . GLY 109 109 27236 1 . VAL 110 110 27236 1 . ALA 111 111 27236 1 . GLY 112 112 27236 1 . ALA 113 113 27236 1 . ALA 114 114 27236 1 . GLY 115 115 27236 1 . LYS 116 116 27236 1 . ALA 117 117 27236 1 . GLY 118 118 27236 1 . TYR 119 119 27236 1 . PRO 120 120 27236 1 . THR 121 121 27236 1 . GLY 122 122 27236 1 . THR 123 123 27236 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 27236 _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 $hTE-CCR . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27236 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 27236 _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 $hTE-CCR . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pet32b . . . 27236 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27236 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 hTE-CCR '[U-13C; U-15N]' . . 1 $hTE-CCR . . 3.5 . . mM . . . . 27236 1 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 27236 1 3 'sodium chloride' 'natural abundance' . . . . . . 350 . . mM . . . . 27236 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 27236 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 27236 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 27236 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.35 . M 27236 1 pH 7 . pH 27236 1 pressure 1 . atm 27236 1 temperature 273 . K 27236 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27236 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27236 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27236 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27236 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27236 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27236 2 stop_ save_ save_CcpNMR _Software.Sf_category software _Software.Sf_framecode CcpNMR _Software.Entry_ID 27236 _Software.ID 3 _Software.Name CcpNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 27236 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27236 3 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 27236 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 27236 _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 Bruker Avance . 600 . . . 27236 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 27236 _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 . . . . . . . . . . . . . . . . 27236 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27236 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27236 1 4 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27236 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27236 1 6 '3D NOESY-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27236 1 7 '3D HSQC-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27236 1 8 '3D CBCANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27236 1 9 '3D HNN' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27236 1 10 '3D HN(CO)N' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27236 1 11 '3D HCAN' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27236 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_standard _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode standard _Chem_shift_reference.Entry_ID 27236 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27236 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27236 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27236 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 27236 _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 $standard _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' . . . 27236 1 2 '3D HNCO' . . . 27236 1 3 '3D HNCA' . . . 27236 1 4 '3D HCACO' . . . 27236 1 5 '3D HN(CO)CA' . . . 27236 1 6 '3D NOESY-HSQC' . . . 27236 1 7 '3D HSQC-TOCSY' . . . 27236 1 8 '3D CBCANH' . . . 27236 1 9 '3D HNN' . . . 27236 1 10 '3D HN(CO)N' . . . 27236 1 11 '3D HCAN' . . . 27236 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 HA2 H 1 6.983 0.001 . 1 . 19 . . 1 GLY HA2 . 27236 1 2 . 1 1 1 1 GLY HA3 H 1 6.983 0.001 . 1 . 19 . . 1 GLY HA3 . 27236 1 3 . 1 1 1 1 GLY C C 13 169.743 0.111 . 1 . 76 . . 1 GLY C . 27236 1 4 . 1 1 1 1 GLY CA C 13 43.225 0.061 . 1 . 17 . . 1 GLY CA . 27236 1 5 . 1 1 1 1 GLY N N 15 120.643 . . 1 . 20 . . 1 GLY N . 27236 1 6 . 1 1 2 2 ALA H H 1 8.419 0.005 . 1 . 15 . . 2 ALA H . 27236 1 7 . 1 1 2 2 ALA HA H 1 4.189 0.019 . 1 . 584 . . 2 ALA HA . 27236 1 8 . 1 1 2 2 ALA HB1 H 1 1.168 . . 1 . 800 . . 2 ALA HB1 . 27236 1 9 . 1 1 2 2 ALA HB2 H 1 1.168 . . 1 . 800 . . 2 ALA HB2 . 27236 1 10 . 1 1 2 2 ALA HB3 H 1 1.168 . . 1 . 800 . . 2 ALA HB3 . 27236 1 11 . 1 1 2 2 ALA C C 13 177.676 0.009 . 1 . 75 . . 2 ALA C . 27236 1 12 . 1 1 2 2 ALA CA C 13 52.368 0.031 . 1 . 18 . . 2 ALA CA . 27236 1 13 . 1 1 2 2 ALA CB C 13 19.557 . . 1 . 100 . . 2 ALA CB . 27236 1 14 . 1 1 2 2 ALA N N 15 123.765 0.027 . 1 . 16 . . 2 ALA N . 27236 1 15 . 1 1 3 3 VAL H H 1 8.201 0.001 . 1 . 22 . . 3 VAL H . 27236 1 16 . 1 1 3 3 VAL HA H 1 3.911 0.014 . 1 . 468 . . 3 VAL HA . 27236 1 17 . 1 1 3 3 VAL HB H 1 1.810 . . 1 . 798 . . 3 VAL HB . 27236 1 18 . 1 1 3 3 VAL HG11 H 1 0.721 . . 1 . 799 . . 3 VAL HG11 . 27236 1 19 . 1 1 3 3 VAL HG12 H 1 0.721 . . 1 . 799 . . 3 VAL HG12 . 27236 1 20 . 1 1 3 3 VAL HG13 H 1 0.721 . . 1 . 799 . . 3 VAL HG13 . 27236 1 21 . 1 1 3 3 VAL C C 13 176.162 0.02 . 1 . 77 . . 3 VAL C . 27236 1 22 . 1 1 3 3 VAL CA C 13 62.356 0.091 . 1 . 23 . . 3 VAL CA . 27236 1 23 . 1 1 3 3 VAL CB C 13 32.660 . . 1 . 101 . . 3 VAL CB . 27236 1 24 . 1 1 3 3 VAL N N 15 120.987 0.04 . 1 . 21 . . 3 VAL N . 27236 1 25 . 1 1 4 4 VAL H H 1 8.252 0.004 . 1 . 43 . . 4 VAL H . 27236 1 26 . 1 1 4 4 VAL HA H 1 4.218 . . 1 . 795 . . 4 VAL HA . 27236 1 27 . 1 1 4 4 VAL HB H 1 1.868 . . 1 . 796 . . 4 VAL HB . 27236 1 28 . 1 1 4 4 VAL HG11 H 1 0.760 . . 1 . 797 . . 4 VAL HG11 . 27236 1 29 . 1 1 4 4 VAL HG12 H 1 0.760 . . 1 . 797 . . 4 VAL HG12 . 27236 1 30 . 1 1 4 4 VAL HG13 H 1 0.760 . . 1 . 797 . . 4 VAL HG13 . 27236 1 31 . 1 1 4 4 VAL C C 13 174.323 0.007 . 1 . 78 . . 4 VAL C . 27236 1 32 . 1 1 4 4 VAL CA C 13 59.818 0.019 . 1 . 45 . . 4 VAL CA . 27236 1 33 . 1 1 4 4 VAL CB C 13 32.615 . . 1 . 102 . . 4 VAL CB . 27236 1 34 . 1 1 4 4 VAL N N 15 127.328 0.051 . 1 . 44 . . 4 VAL N . 27236 1 35 . 1 1 5 5 PRO HA H 1 4.218 . . 1 . 610 . . 5 PRO HA . 27236 1 36 . 1 1 5 5 PRO C C 13 176.501 0.012 . 1 . 475 . . 5 PRO C . 27236 1 37 . 1 1 5 5 PRO CA C 13 63.063 0.075 . 1 . 609 . . 5 PRO CA . 27236 1 38 . 1 1 5 5 PRO CB C 13 32.161 . . 1 . 473 . . 5 PRO CB . 27236 1 39 . 1 1 5 5 PRO N N 15 139.579 0.04 . 1 . 608 . . 5 PRO N . 27236 1 40 . 1 1 6 6 GLN H H 1 8.349 0.001 . 1 . 211 . . 6 GLN H . 27236 1 41 . 1 1 6 6 GLN HA H 1 4.418 0.0 . 1 . 582 . . 6 GLN HA . 27236 1 42 . 1 1 6 6 GLN HE21 H 1 7.454 0.003 . 1 . 6 . . 6 GLN HE21 . 27236 1 43 . 1 1 6 6 GLN HE22 H 1 6.776 0.003 . 1 . 7 . . 6 GLN HE22 . 27236 1 44 . 1 1 6 6 GLN C C 13 174.236 0.002 . 1 . 476 . . 6 GLN C . 27236 1 45 . 1 1 6 6 GLN CA C 13 53.495 0.047 . 1 . 474 . . 6 GLN CA . 27236 1 46 . 1 1 6 6 GLN CB C 13 28.987 . . 1 . 472 . . 6 GLN CB . 27236 1 47 . 1 1 6 6 GLN N N 15 121.822 0.026 . 1 . 212 . . 6 GLN N . 27236 1 48 . 1 1 6 6 GLN NE2 N 15 113.523 0.011 . 1 . 5 . . 6 GLN NE2 . 27236 1 49 . 1 1 7 7 PRO HA H 1 4.198 . . 1 . 794 . . 7 PRO HA . 27236 1 50 . 1 1 7 7 PRO C C 13 177.629 0.006 . 1 . 175 . . 7 PRO C . 27236 1 51 . 1 1 7 7 PRO CA C 13 63.597 0.014 . 1 . 173 . . 7 PRO CA . 27236 1 52 . 1 1 7 7 PRO CB C 13 32.082 . . 1 . 176 . . 7 PRO CB . 27236 1 53 . 1 1 7 7 PRO N N 15 137.759 0.043 . 1 . 583 . . 7 PRO N . 27236 1 54 . 1 1 8 8 GLY H H 1 8.426 0.003 . 1 . 172 . . 8 GLY H . 27236 1 55 . 1 1 8 8 GLY HA2 H 1 3.743 0.009 . 1 . 791 . . 8 GLY HA2 . 27236 1 56 . 1 1 8 8 GLY C C 13 174.029 0.001 . 1 . 174 . . 8 GLY C . 27236 1 57 . 1 1 8 8 GLY CA C 13 45.232 0.011 . 1 . 171 . . 8 GLY CA . 27236 1 58 . 1 1 8 8 GLY N N 15 110.071 0.027 . 1 . 165 . . 8 GLY N . 27236 1 59 . 1 1 9 9 ALA H H 1 8.006 0.002 . 1 . 164 . . 9 ALA H . 27236 1 60 . 1 1 9 9 ALA HA H 1 4.115 0.013 . 1 . 792 . . 9 ALA HA . 27236 1 61 . 1 1 9 9 ALA HB1 H 1 1.217 . . 1 . 793 . . 9 ALA HB1 . 27236 1 62 . 1 1 9 9 ALA HB2 H 1 1.217 . . 1 . 793 . . 9 ALA HB2 . 27236 1 63 . 1 1 9 9 ALA HB3 H 1 1.217 . . 1 . 793 . . 9 ALA HB3 . 27236 1 64 . 1 1 9 9 ALA C C 13 178.349 0.007 . 1 . 168 . . 9 ALA C . 27236 1 65 . 1 1 9 9 ALA CA C 13 52.711 0.002 . 1 . 166 . . 9 ALA CA . 27236 1 66 . 1 1 9 9 ALA CB C 13 19.429 . . 1 . 170 . . 9 ALA CB . 27236 1 67 . 1 1 9 9 ALA N N 15 123.595 0.032 . 1 . 141 . . 9 ALA N . 27236 1 68 . 1 1 10 10 GLY H H 1 8.313 0.004 . 1 . 139 . . 10 GLY H . 27236 1 69 . 1 1 10 10 GLY HA2 H 1 3.736 . . 1 . 742 . . 10 GLY HA2 . 27236 1 70 . 1 1 10 10 GLY C C 13 173.888 0.007 . 1 . 169 . . 10 GLY C . 27236 1 71 . 1 1 10 10 GLY CA C 13 45.182 0.003 . 1 . 167 . . 10 GLY CA . 27236 1 72 . 1 1 10 10 GLY N N 15 108.447 0.029 . 1 . 140 . . 10 GLY N . 27236 1 73 . 1 1 11 11 VAL H H 1 7.793 0.002 . 1 . 364 . . 11 VAL H . 27236 1 74 . 1 1 11 11 VAL HA H 1 3.892 . . 1 . 788 . . 11 VAL HA . 27236 1 75 . 1 1 11 11 VAL HB H 1 1.830 . . 1 . 789 . . 11 VAL HB . 27236 1 76 . 1 1 11 11 VAL HG11 H 1 0.700 . . 1 . 790 . . 11 VAL HG11 . 27236 1 77 . 1 1 11 11 VAL HG12 H 1 0.700 . . 1 . 790 . . 11 VAL HG12 . 27236 1 78 . 1 1 11 11 VAL HG13 H 1 0.700 . . 1 . 790 . . 11 VAL HG13 . 27236 1 79 . 1 1 11 11 VAL C C 13 176.112 0.011 . 1 . 367 . . 11 VAL C . 27236 1 80 . 1 1 11 11 VAL CA C 13 62.143 0.006 . 1 . 366 . . 11 VAL CA . 27236 1 81 . 1 1 11 11 VAL CB C 13 32.714 . . 1 . 365 . . 11 VAL CB . 27236 1 82 . 1 1 11 11 VAL N N 15 119.706 0.06 . 1 . 363 . . 11 VAL N . 27236 1 83 . 1 1 12 12 LYS H H 1 8.358 0.003 . 1 . 152 . . 12 LYS H . 27236 1 84 . 1 1 12 12 LYS HA H 1 4.415 0.013 . 1 . 735 . . 12 LYS HA . 27236 1 85 . 1 1 12 12 LYS HB2 H 1 1.546 . . 1 . 736 . . 12 LYS HB2 . 27236 1 86 . 1 1 12 12 LYS HG2 H 1 1.272 . . 1 . 737 . . 12 LYS HG2 . 27236 1 87 . 1 1 12 12 LYS C C 13 174.422 0.002 . 1 . 154 . . 12 LYS C . 27236 1 88 . 1 1 12 12 LYS CA C 13 54.158 0.035 . 1 . 157 . . 12 LYS CA . 27236 1 89 . 1 1 12 12 LYS CB C 13 32.548 . . 1 . 156 . . 12 LYS CB . 27236 1 90 . 1 1 12 12 LYS N N 15 127.455 0.058 . 1 . 153 . . 12 LYS N . 27236 1 91 . 1 1 13 13 PRO HA H 1 4.213 0.023 . 1 . 611 . . 13 PRO HA . 27236 1 92 . 1 1 13 13 PRO C C 13 177.429 0.015 . 1 . 130 . . 13 PRO C . 27236 1 93 . 1 1 13 13 PRO CA C 13 63.381 0.055 . 1 . 612 . . 13 PRO CA . 27236 1 94 . 1 1 13 13 PRO CB C 13 32.152 . . 1 . 484 . . 13 PRO CB . 27236 1 95 . 1 1 13 13 PRO N N 15 136.972 0.003 . 1 . 585 . . 13 PRO N . 27236 1 96 . 1 1 14 14 GLY H H 1 8.320 0.002 . 1 . 129 . . 14 GLY H . 27236 1 97 . 1 1 14 14 GLY HA2 H 1 3.747 0.002 . 1 . 787 . . 14 GLY HA2 . 27236 1 98 . 1 1 14 14 GLY C C 13 173.876 0.051 . 1 . 128 . . 14 GLY C . 27236 1 99 . 1 1 14 14 GLY CA C 13 45.002 0.003 . 1 . 52 . . 14 GLY CA . 27236 1 100 . 1 1 14 14 GLY N N 15 109.609 0.064 . 1 . 126 . . 14 GLY N . 27236 1 101 . 1 1 15 15 LYS H H 1 8.049 0.002 . 1 . 50 . . 15 LYS H . 27236 1 102 . 1 1 15 15 LYS HA H 1 4.168 0.011 . 1 . 466 . . 15 LYS HA . 27236 1 103 . 1 1 15 15 LYS HB2 H 1 1.560 . . 1 . 785 . . 15 LYS HB2 . 27236 1 104 . 1 1 15 15 LYS HG2 H 1 1.187 . . 1 . 786 . . 15 LYS HG2 . 27236 1 105 . 1 1 15 15 LYS C C 13 176.520 0.02 . 1 . 127 . . 15 LYS C . 27236 1 106 . 1 1 15 15 LYS CA C 13 56.129 0.031 . 1 . 49 . . 15 LYS CA . 27236 1 107 . 1 1 15 15 LYS CB C 13 33.220 . . 1 . 368 . . 15 LYS CB . 27236 1 108 . 1 1 15 15 LYS N N 15 121.187 0.06 . 1 . 51 . . 15 LYS N . 27236 1 109 . 1 1 16 16 VAL H H 1 8.160 0.001 . 1 . 46 . . 16 VAL H . 27236 1 110 . 1 1 16 16 VAL HA H 1 4.226 0.009 . 1 . 469 . . 16 VAL HA . 27236 1 111 . 1 1 16 16 VAL HB H 1 1.880 . . 1 . 744 . . 16 VAL HB . 27236 1 112 . 1 1 16 16 VAL HG11 H 1 0.753 . . 1 . 745 . . 16 VAL HG11 . 27236 1 113 . 1 1 16 16 VAL HG12 H 1 0.753 . . 1 . 745 . . 16 VAL HG12 . 27236 1 114 . 1 1 16 16 VAL HG13 H 1 0.753 . . 1 . 745 . . 16 VAL HG13 . 27236 1 115 . 1 1 16 16 VAL C C 13 174.540 . . 1 . 560 . . 16 VAL C . 27236 1 116 . 1 1 16 16 VAL CA C 13 59.880 0.038 . 1 . 48 . . 16 VAL CA . 27236 1 117 . 1 1 16 16 VAL CB C 13 32.809 . . 1 . 419 . . 16 VAL CB . 27236 1 118 . 1 1 16 16 VAL N N 15 123.883 0.031 . 1 . 47 . . 16 VAL N . 27236 1 119 . 1 1 17 17 PRO HA H 1 4.224 . . 1 . 827 . . 17 PRO HA . 27236 1 120 . 1 1 17 17 PRO C C 13 177.532 . . 1 . 550 . . 17 PRO C . 27236 1 121 . 1 1 17 17 PRO CA C 13 63.405 . . 1 . 564 . . 17 PRO CA . 27236 1 122 . 1 1 17 17 PRO CB C 13 32.152 . . 1 . 565 . . 17 PRO CB . 27236 1 123 . 1 1 17 17 PRO N N 15 139.555 . . 1 . 593 . . 17 PRO N . 27236 1 124 . 1 1 18 18 GLY H H 1 8.288 0.002 . 1 . 548 . . 18 GLY H . 27236 1 125 . 1 1 18 18 GLY HA2 H 1 3.716 0.011 . 1 . 784 . . 18 GLY HA2 . 27236 1 126 . 1 1 18 18 GLY C C 13 174.047 0.011 . 1 . 260 . . 18 GLY C . 27236 1 127 . 1 1 18 18 GLY CA C 13 45.273 . . 1 . 259 . . 18 GLY CA . 27236 1 128 . 1 1 18 18 GLY N N 15 109.466 0.029 . 1 . 826 . . 18 GLY N . 27236 1 129 . 1 1 19 19 VAL H H 1 7.815 0.003 . 1 . 257 . . 19 VAL H . 27236 1 130 . 1 1 19 19 VAL HA H 1 3.945 0.005 . 1 . 783 . . 19 VAL HA . 27236 1 131 . 1 1 19 19 VAL C C 13 176.602 0.014 . 1 . 251 . . 19 VAL C . 27236 1 132 . 1 1 19 19 VAL CA C 13 62.367 0.004 . 1 . 249 . . 19 VAL CA . 27236 1 133 . 1 1 19 19 VAL CB C 13 32.683 . . 1 . 261 . . 19 VAL CB . 27236 1 134 . 1 1 19 19 VAL N N 15 119.128 0.061 . 1 . 258 . . 19 VAL N . 27236 1 135 . 1 1 20 20 GLY H H 1 8.362 0.003 . 1 . 246 . . 20 GLY H . 27236 1 136 . 1 1 20 20 GLY HA2 H 1 3.730 . . 1 . 722 . . 20 GLY HA2 . 27236 1 137 . 1 1 20 20 GLY C C 13 173.584 0.014 . 1 . 250 . . 20 GLY C . 27236 1 138 . 1 1 20 20 GLY CA C 13 44.991 0.018 . 1 . 248 . . 20 GLY CA . 27236 1 139 . 1 1 20 20 GLY N N 15 112.700 0.023 . 1 . 247 . . 20 GLY N . 27236 1 140 . 1 1 21 21 LEU H H 1 7.986 0.001 . 1 . 252 . . 21 LEU H . 27236 1 141 . 1 1 21 21 LEU HA H 1 4.442 0.01 . 1 . 657 . . 21 LEU HA . 27236 1 142 . 1 1 21 21 LEU HB2 H 1 1.373 . . 1 . 658 . . 21 LEU HB2 . 27236 1 143 . 1 1 21 21 LEU C C 13 175.307 0.021 . 1 . 254 . . 21 LEU C . 27236 1 144 . 1 1 21 21 LEU CA C 13 52.981 0.016 . 1 . 256 . . 21 LEU CA . 27236 1 145 . 1 1 21 21 LEU CB C 13 41.691 0.005 . 1 . 255 . . 21 LEU CB . 27236 1 146 . 1 1 21 21 LEU N N 15 122.992 0.033 . 1 . 253 . . 21 LEU N . 27236 1 147 . 1 1 22 22 PRO HA H 1 4.202 . . 1 . 801 . . 22 PRO HA . 27236 1 148 . 1 1 22 22 PRO C C 13 177.499 . . 1 . 522 . . 22 PRO C . 27236 1 149 . 1 1 22 22 PRO CA C 13 63.357 . . 1 . 561 . . 22 PRO CA . 27236 1 150 . 1 1 22 22 PRO CB C 13 32.091 . . 1 . 562 . . 22 PRO CB . 27236 1 151 . 1 1 22 22 PRO N N 15 136.032 0.067 . 1 . 625 . . 22 PRO N . 27236 1 152 . 1 1 23 23 GLY H H 1 8.271 0.001 . 1 . 520 . . 23 GLY H . 27236 1 153 . 1 1 23 23 GLY HA2 H 1 3.673 . . 1 . 778 . . 23 GLY HA2 . 27236 1 154 . 1 1 23 23 GLY C C 13 173.539 0.025 . 1 . 383 . . 23 GLY C . 27236 1 155 . 1 1 23 23 GLY CA C 13 45.241 . . 1 . 382 . . 23 GLY CA . 27236 1 156 . 1 1 23 23 GLY N N 15 108.991 0.016 . 1 . 521 . . 23 GLY N . 27236 1 157 . 1 1 24 24 VAL H H 1 7.567 0.002 . 1 . 313 . . 24 VAL H . 27236 1 158 . 1 1 24 24 VAL HA H 1 3.856 . . 1 . 777 . . 24 VAL HA . 27236 1 159 . 1 1 24 24 VAL HB H 1 1.740 . . 1 . 776 . . 24 VAL HB . 27236 1 160 . 1 1 24 24 VAL HG11 H 1 0.600 . . 1 . 775 . . 24 VAL HG11 . 27236 1 161 . 1 1 24 24 VAL HG12 H 1 0.600 . . 1 . 775 . . 24 VAL HG12 . 27236 1 162 . 1 1 24 24 VAL HG13 H 1 0.600 . . 1 . 775 . . 24 VAL HG13 . 27236 1 163 . 1 1 24 24 VAL C C 13 175.415 0.008 . 1 . 192 . . 24 VAL C . 27236 1 164 . 1 1 24 24 VAL CA C 13 62.104 0.006 . 1 . 279 . . 24 VAL CA . 27236 1 165 . 1 1 24 24 VAL CB C 13 32.900 . . 1 . 189 . . 24 VAL CB . 27236 1 166 . 1 1 24 24 VAL N N 15 119.253 0.033 . 1 . 314 . . 24 VAL N . 27236 1 167 . 1 1 25 25 TYR H H 1 8.267 0.004 . 1 . 187 . . 25 TYR H . 27236 1 168 . 1 1 25 25 TYR HA H 1 4.671 . . 1 . 780 . . 25 TYR HA . 27236 1 169 . 1 1 25 25 TYR HB2 H 1 2.838 . . 2 . 781 . . 25 TYR HB2 . 27236 1 170 . 1 1 25 25 TYR HB3 H 1 2.604 . . 2 . 782 . . 25 TYR HB3 . 27236 1 171 . 1 1 25 25 TYR C C 13 174.238 0.001 . 1 . 191 . . 25 TYR C . 27236 1 172 . 1 1 25 25 TYR CA C 13 55.607 . . 1 . 278 . . 25 TYR CA . 27236 1 173 . 1 1 25 25 TYR CB C 13 38.389 . . 1 . 190 . . 25 TYR CB . 27236 1 174 . 1 1 25 25 TYR N N 15 125.378 0.072 . 1 . 188 . . 25 TYR N . 27236 1 175 . 1 1 26 26 PRO HA H 1 4.230 . . 1 . 828 . . 26 PRO HA . 27236 1 176 . 1 1 26 26 PRO C C 13 177.454 . . 1 . 547 . . 26 PRO C . 27236 1 177 . 1 1 26 26 PRO CA C 13 63.405 . . 1 . 567 . . 26 PRO CA . 27236 1 178 . 1 1 26 26 PRO CB C 13 32.152 . . 1 . 566 . . 26 PRO CB . 27236 1 179 . 1 1 27 27 GLY H H 1 8.333 0.001 . 1 . 545 . . 27 GLY H . 27236 1 180 . 1 1 27 27 GLY HA2 H 1 3.754 . . 1 . 779 . . 27 GLY HA2 . 27236 1 181 . 1 1 27 27 GLY C C 13 174.593 0.076 . 1 . 408 . . 27 GLY C . 27236 1 182 . 1 1 27 27 GLY CA C 13 45.184 . . 1 . 563 . . 27 GLY CA . 27236 1 183 . 1 1 27 27 GLY N N 15 109.391 0.002 . 1 . 546 . . 27 GLY N . 27236 1 184 . 1 1 28 28 GLY H H 1 8.118 0.001 . 1 . 403 . . 28 GLY H . 27236 1 185 . 1 1 28 28 GLY HA2 H 1 3.750 0.001 . 1 . 771 . . 28 GLY HA2 . 27236 1 186 . 1 1 28 28 GLY C C 13 173.707 0.023 . 1 . 407 . . 28 GLY C . 27236 1 187 . 1 1 28 28 GLY CA C 13 45.277 0.019 . 1 . 400 . . 28 GLY CA . 27236 1 188 . 1 1 28 28 GLY N N 15 108.572 0.027 . 1 . 404 . . 28 GLY N . 27236 1 189 . 1 1 29 29 VAL H H 1 7.671 0.002 . 1 . 311 . . 29 VAL H . 27236 1 190 . 1 1 29 29 VAL HA H 1 3.909 . . 1 . 772 . . 29 VAL HA . 27236 1 191 . 1 1 29 29 VAL HB H 1 1.817 . . 1 . 773 . . 29 VAL HB . 27236 1 192 . 1 1 29 29 VAL HG11 H 1 0.674 . . 1 . 774 . . 29 VAL HG11 . 27236 1 193 . 1 1 29 29 VAL HG12 H 1 0.674 . . 1 . 774 . . 29 VAL HG12 . 27236 1 194 . 1 1 29 29 VAL HG13 H 1 0.674 . . 1 . 774 . . 29 VAL HG13 . 27236 1 195 . 1 1 29 29 VAL C C 13 175.718 0.023 . 1 . 510 . . 29 VAL C . 27236 1 196 . 1 1 29 29 VAL CA C 13 61.886 0.028 . 1 . 399 . . 29 VAL CA . 27236 1 197 . 1 1 29 29 VAL CB C 13 32.973 . . 1 . 439 . . 29 VAL CB . 27236 1 198 . 1 1 29 29 VAL N N 15 119.045 0.044 . 1 . 312 . . 29 VAL N . 27236 1 199 . 1 1 30 30 LEU H H 1 8.225 0.001 . 1 . 271 . . 30 LEU H . 27236 1 200 . 1 1 30 30 LEU HA H 1 4.264 . . 1 . 756 . . 30 LEU HA . 27236 1 201 . 1 1 30 30 LEU HB2 H 1 1.346 . . 1 . 757 . . 30 LEU HB2 . 27236 1 202 . 1 1 30 30 LEU C C 13 175.229 . . 1 . 511 . . 30 LEU C . 27236 1 203 . 1 1 30 30 LEU CA C 13 52.961 . . 1 . 427 . . 30 LEU CA . 27236 1 204 . 1 1 30 30 LEU CB C 13 41.511 . . 1 . 428 . . 30 LEU CB . 27236 1 205 . 1 1 30 30 LEU N N 15 127.729 0.018 . 1 . 272 . . 30 LEU N . 27236 1 206 . 1 1 31 31 PRO HA H 1 4.171 0.019 . 1 . 770 . . 31 PRO HA . 27236 1 207 . 1 1 31 31 PRO C C 13 177.443 . . 1 . 519 . . 31 PRO C . 27236 1 208 . 1 1 31 31 PRO CA C 13 63.405 . . 1 . 568 . . 31 PRO CA . 27236 1 209 . 1 1 31 31 PRO CB C 13 32.152 . . 1 . 570 . . 31 PRO CB . 27236 1 210 . 1 1 31 31 PRO N N 15 135.945 . . 1 . 802 . . 31 PRO N . 27236 1 211 . 1 1 32 32 GLY H H 1 8.316 0.001 . 1 . 291 . . 32 GLY H . 27236 1 212 . 1 1 32 32 GLY HA2 H 1 3.732 . . 1 . 769 . . 32 GLY HA2 . 27236 1 213 . 1 1 32 32 GLY C C 13 173.887 0.004 . 1 . 230 . . 32 GLY C . 27236 1 214 . 1 1 32 32 GLY CA C 13 45.201 . . 1 . 231 . . 32 GLY CA . 27236 1 215 . 1 1 32 32 GLY N N 15 109.230 0.014 . 1 . 292 . . 32 GLY N . 27236 1 216 . 1 1 33 33 ALA H H 1 7.870 0.003 . 1 . 228 . . 33 ALA H . 27236 1 217 . 1 1 33 33 ALA HA H 1 4.063 . . 1 . 767 . . 33 ALA HA . 27236 1 218 . 1 1 33 33 ALA HB1 H 1 1.150 . . 1 . 768 . . 33 ALA HB1 . 27236 1 219 . 1 1 33 33 ALA HB2 H 1 1.150 . . 1 . 768 . . 33 ALA HB2 . 27236 1 220 . 1 1 33 33 ALA HB3 H 1 1.150 . . 1 . 768 . . 33 ALA HB3 . 27236 1 221 . 1 1 33 33 ALA C C 13 177.458 0.02 . 1 . 221 . . 33 ALA C . 27236 1 222 . 1 1 33 33 ALA CA C 13 52.428 . . 1 . 219 . . 33 ALA CA . 27236 1 223 . 1 1 33 33 ALA CB C 13 19.518 0.012 . 1 . 220 . . 33 ALA CB . 27236 1 224 . 1 1 33 33 ALA N N 15 123.457 0.028 . 1 . 229 . . 33 ALA N . 27236 1 225 . 1 1 34 34 ARG H H 1 8.018 0.003 . 1 . 215 . . 34 ARG H . 27236 1 226 . 1 1 34 34 ARG HA H 1 4.020 . . 1 . 764 . . 34 ARG HA . 27236 1 227 . 1 1 34 34 ARG HB2 H 1 1.436 . . 1 . 765 . . 34 ARG HB2 . 27236 1 228 . 1 1 34 34 ARG HG2 H 1 1.266 . . 1 . 763 . . 34 ARG HG2 . 27236 1 229 . 1 1 34 34 ARG HD2 H 1 2.924 . . 1 . 766 . . 34 ARG HD2 . 27236 1 230 . 1 1 34 34 ARG C C 13 175.615 0.004 . 1 . 222 . . 34 ARG C . 27236 1 231 . 1 1 34 34 ARG CA C 13 55.928 0.008 . 1 . 218 . . 34 ARG CA . 27236 1 232 . 1 1 34 34 ARG CB C 13 30.923 . . 1 . 217 . . 34 ARG CB . 27236 1 233 . 1 1 34 34 ARG N N 15 119.808 0.038 . 1 . 216 . . 34 ARG N . 27236 1 234 . 1 1 35 35 PHE H H 1 8.113 0.002 . 1 . 223 . . 35 PHE H . 27236 1 235 . 1 1 35 35 PHE HA H 1 4.704 . . 1 . 700 . . 35 PHE HA . 27236 1 236 . 1 1 35 35 PHE HB2 H 1 2.945 . . 2 . 701 . . 35 PHE HB2 . 27236 1 237 . 1 1 35 35 PHE HB3 H 1 2.737 . . 2 . 702 . . 35 PHE HB3 . 27236 1 238 . 1 1 35 35 PHE C C 13 173.955 . . 1 . 225 . . 35 PHE C . 27236 1 239 . 1 1 35 35 PHE CA C 13 55.420 . . 1 . 226 . . 35 PHE CA . 27236 1 240 . 1 1 35 35 PHE CB C 13 39.140 0.023 . 1 . 227 . . 35 PHE CB . 27236 1 241 . 1 1 35 35 PHE N N 15 121.859 0.071 . 1 . 224 . . 35 PHE N . 27236 1 242 . 1 1 36 36 PRO HA H 1 4.206 . . 1 . 762 . . 36 PRO HA . 27236 1 243 . 1 1 36 36 PRO C C 13 177.288 . . 1 . 518 . . 36 PRO C . 27236 1 244 . 1 1 36 36 PRO CA C 13 63.453 . . 1 . 517 . . 36 PRO CA . 27236 1 245 . 1 1 36 36 PRO CB C 13 32.044 . . 1 . 516 . . 36 PRO CB . 27236 1 246 . 1 1 37 37 GLY H H 1 7.924 0.003 . 1 . 299 . . 37 GLY H . 27236 1 247 . 1 1 37 37 GLY HA2 H 1 3.760 0.002 . 1 . 761 . . 37 GLY HA2 . 27236 1 248 . 1 1 37 37 GLY C C 13 174.047 0.019 . 1 . 373 . . 37 GLY C . 27236 1 249 . 1 1 37 37 GLY CA C 13 45.211 0.022 . 1 . 369 . . 37 GLY CA . 27236 1 250 . 1 1 37 37 GLY N N 15 108.965 0.024 . 1 . 300 . . 37 GLY N . 27236 1 251 . 1 1 38 38 VAL H H 1 7.852 0.004 . 1 . 315 . . 38 VAL H . 27236 1 252 . 1 1 38 38 VAL HA H 1 3.936 . . 1 . 758 . . 38 VAL HA . 27236 1 253 . 1 1 38 38 VAL HB H 1 1.914 . . 1 . 759 . . 38 VAL HB . 27236 1 254 . 1 1 38 38 VAL HG11 H 1 0.757 . . 1 . 760 . . 38 VAL HG11 . 27236 1 255 . 1 1 38 38 VAL HG12 H 1 0.757 . . 1 . 760 . . 38 VAL HG12 . 27236 1 256 . 1 1 38 38 VAL HG13 H 1 0.757 . . 1 . 760 . . 38 VAL HG13 . 27236 1 257 . 1 1 38 38 VAL C C 13 176.714 0.038 . 1 . 372 . . 38 VAL C . 27236 1 258 . 1 1 38 38 VAL CA C 13 62.544 0.018 . 1 . 370 . . 38 VAL CA . 27236 1 259 . 1 1 38 38 VAL CB C 13 32.706 . . 1 . 371 . . 38 VAL CB . 27236 1 260 . 1 1 38 38 VAL N N 15 119.272 0.051 . 1 . 316 . . 38 VAL N . 27236 1 261 . 1 1 39 39 GLY H H 1 8.411 0.003 . 1 . 276 . . 39 GLY H . 27236 1 262 . 1 1 39 39 GLY HA2 H 1 3.748 . . 1 . 721 . . 39 GLY HA2 . 27236 1 263 . 1 1 39 39 GLY C C 13 173.670 0.029 . 1 . 374 . . 39 GLY C . 27236 1 264 . 1 1 39 39 GLY CA C 13 45.174 . . 1 . 375 . . 39 GLY CA . 27236 1 265 . 1 1 39 39 GLY N N 15 112.909 0.049 . 1 . 277 . . 39 GLY N . 27236 1 266 . 1 1 40 40 VAL H H 1 7.787 0.0 . 1 . 385 . . 40 VAL H . 27236 1 267 . 1 1 40 40 VAL HA H 1 3.888 . . 1 . 754 . . 40 VAL HA . 27236 1 268 . 1 1 40 40 VAL C C 13 176.074 . . 1 . 513 . . 40 VAL C . 27236 1 269 . 1 1 40 40 VAL CA C 13 62.117 . . 1 . 514 . . 40 VAL CA . 27236 1 270 . 1 1 40 40 VAL CB C 13 32.623 . . 1 . 515 . . 40 VAL CB . 27236 1 271 . 1 1 40 40 VAL N N 15 119.439 0.007 . 1 . 384 . . 40 VAL N . 27236 1 272 . 1 1 41 41 LEU H H 1 8.265 0.005 . 1 . 264 . . 41 LEU H . 27236 1 273 . 1 1 41 41 LEU HA H 1 4.418 . . 1 . 753 . . 41 LEU HA . 27236 1 274 . 1 1 41 41 LEU HB2 H 1 1.392 . . 1 . 755 . . 41 LEU HB2 . 27236 1 275 . 1 1 41 41 LEU C C 13 175.107 . . 1 . 512 . . 41 LEU C . 27236 1 276 . 1 1 41 41 LEU CA C 13 52.859 . . 1 . 426 . . 41 LEU CA . 27236 1 277 . 1 1 41 41 LEU CB C 13 41.684 . . 1 . 425 . . 41 LEU CB . 27236 1 278 . 1 1 41 41 LEU N N 15 127.774 0.056 . 1 . 265 . . 41 LEU N . 27236 1 279 . 1 1 42 42 PRO HA H 1 4.162 0.014 . 1 . 627 . . 42 PRO HA . 27236 1 280 . 1 1 42 42 PRO C C 13 177.480 0.002 . 1 . 207 . . 42 PRO C . 27236 1 281 . 1 1 42 42 PRO CA C 13 63.488 0.093 . 1 . 208 . . 42 PRO CA . 27236 1 282 . 1 1 42 42 PRO CB C 13 32.091 . . 1 . 209 . . 42 PRO CB . 27236 1 283 . 1 1 42 42 PRO N N 15 135.920 . . 1 . 626 . . 42 PRO N . 27236 1 284 . 1 1 43 43 GLY H H 1 8.270 0.001 . 1 . 205 . . 43 GLY H . 27236 1 285 . 1 1 43 43 GLY HA2 H 1 3.720 . . 1 . 751 . . 43 GLY HA2 . 27236 1 286 . 1 1 43 43 GLY C C 13 173.775 0.039 . 1 . 203 . . 43 GLY C . 27236 1 287 . 1 1 43 43 GLY CA C 13 45.051 . . 1 . 201 . . 43 GLY CA . 27236 1 288 . 1 1 43 43 GLY N N 15 109.430 0.053 . 1 . 206 . . 43 GLY N . 27236 1 289 . 1 1 44 44 VAL H H 1 7.795 0.002 . 1 . 198 . . 44 VAL H . 27236 1 290 . 1 1 44 44 VAL HA H 1 4.238 0.009 . 1 . 471 . . 44 VAL HA . 27236 1 291 . 1 1 44 44 VAL HB H 1 1.880 . . 1 . 749 . . 44 VAL HB . 27236 1 292 . 1 1 44 44 VAL HG11 H 1 0.752 . . 1 . 750 . . 44 VAL HG11 . 27236 1 293 . 1 1 44 44 VAL HG12 H 1 0.752 . . 1 . 750 . . 44 VAL HG12 . 27236 1 294 . 1 1 44 44 VAL HG13 H 1 0.752 . . 1 . 750 . . 44 VAL HG13 . 27236 1 295 . 1 1 44 44 VAL C C 13 174.618 0.005 . 1 . 202 . . 44 VAL C . 27236 1 296 . 1 1 44 44 VAL CA C 13 59.871 0.009 . 1 . 200 . . 44 VAL CA . 27236 1 297 . 1 1 44 44 VAL CB C 13 32.588 . . 1 . 204 . . 44 VAL CB . 27236 1 298 . 1 1 44 44 VAL N N 15 121.050 0.036 . 1 . 199 . . 44 VAL N . 27236 1 299 . 1 1 45 45 PRO HA H 1 4.329 0.004 . 1 . 601 . . 45 PRO HA . 27236 1 300 . 1 1 45 45 PRO C C 13 177.141 . . 1 . 552 . . 45 PRO C . 27236 1 301 . 1 1 45 45 PRO CA C 13 63.244 0.02 . 1 . 602 . . 45 PRO CA . 27236 1 302 . 1 1 45 45 PRO CB C 13 32.004 . . 1 . 485 . . 45 PRO CB . 27236 1 303 . 1 1 45 45 PRO N N 15 139.817 . . 1 . 600 . . 45 PRO N . 27236 1 304 . 1 1 46 46 THR H H 1 8.173 0.011 . 1 . 8 . . 46 THR H . 27236 1 305 . 1 1 46 46 THR HA H 1 4.155 0.042 . 1 . 598 . . 46 THR HA . 27236 1 306 . 1 1 46 46 THR HG21 H 1 1.043 . . 1 . 748 . . 46 THR HG21 . 27236 1 307 . 1 1 46 46 THR HG22 H 1 1.043 . . 1 . 748 . . 46 THR HG22 . 27236 1 308 . 1 1 46 46 THR HG23 H 1 1.043 . . 1 . 748 . . 46 THR HG23 . 27236 1 309 . 1 1 46 46 THR C C 13 175.308 0.012 . 1 . 534 . . 46 THR C . 27236 1 310 . 1 1 46 46 THR CA C 13 62.136 0.021 . 1 . 10 . . 46 THR CA . 27236 1 311 . 1 1 46 46 THR CB C 13 69.982 . . 1 . 488 . . 46 THR CB . 27236 1 312 . 1 1 46 46 THR N N 15 114.579 0.039 . 1 . 9 . . 46 THR N . 27236 1 313 . 1 1 47 47 GLY H H 1 8.317 0.002 . 1 . 68 . . 47 GLY H . 27236 1 314 . 1 1 47 47 GLY HA2 H 1 3.762 . . 1 . 747 . . 47 GLY HA2 . 27236 1 315 . 1 1 47 47 GLY C C 13 174.005 0.009 . 1 . 134 . . 47 GLY C . 27236 1 316 . 1 1 47 47 GLY CA C 13 45.398 0.067 . 1 . 70 . . 47 GLY CA . 27236 1 317 . 1 1 47 47 GLY N N 15 111.455 0.044 . 1 . 69 . . 47 GLY N . 27236 1 318 . 1 1 48 48 ALA H H 1 8.124 0.001 . 1 . 133 . . 48 ALA H . 27236 1 319 . 1 1 48 48 ALA HA H 1 4.149 . . 1 . 743 . . 48 ALA HA . 27236 1 320 . 1 1 48 48 ALA HB1 H 1 1.191 . . 1 . 746 . . 48 ALA HB1 . 27236 1 321 . 1 1 48 48 ALA HB2 H 1 1.191 . . 1 . 746 . . 48 ALA HB2 . 27236 1 322 . 1 1 48 48 ALA HB3 H 1 1.191 . . 1 . 746 . . 48 ALA HB3 . 27236 1 323 . 1 1 48 48 ALA C C 13 178.324 0.011 . 1 . 135 . . 48 ALA C . 27236 1 324 . 1 1 48 48 ALA CA C 13 52.713 . . 1 . 136 . . 48 ALA CA . 27236 1 325 . 1 1 48 48 ALA CB C 13 19.398 . . 1 . 137 . . 48 ALA CB . 27236 1 326 . 1 1 48 48 ALA N N 15 123.909 0.028 . 1 . 132 . . 48 ALA N . 27236 1 327 . 1 1 49 49 GLY H H 1 8.301 0.001 . 1 . 138 . . 49 GLY H . 27236 1 328 . 1 1 49 49 GLY HA2 H 1 3.717 . . 1 . 741 . . 49 GLY HA2 . 27236 1 329 . 1 1 49 49 GLY C C 13 173.872 0.001 . 1 . 143 . . 49 GLY C . 27236 1 330 . 1 1 49 49 GLY CA C 13 45.128 . . 1 . 144 . . 49 GLY CA . 27236 1 331 . 1 1 49 49 GLY N N 15 108.287 0.019 . 1 . 131 . . 49 GLY N . 27236 1 332 . 1 1 50 50 VAL H H 1 7.766 0.005 . 1 . 145 . . 50 VAL H . 27236 1 333 . 1 1 50 50 VAL HA H 1 3.885 . . 1 . 739 . . 50 VAL HA . 27236 1 334 . 1 1 50 50 VAL HB H 1 1.824 . . 1 . 738 . . 50 VAL HB . 27236 1 335 . 1 1 50 50 VAL HG11 H 1 0.680 . . 1 . 740 . . 50 VAL HG11 . 27236 1 336 . 1 1 50 50 VAL HG12 H 1 0.680 . . 1 . 740 . . 50 VAL HG12 . 27236 1 337 . 1 1 50 50 VAL HG13 H 1 0.680 . . 1 . 740 . . 50 VAL HG13 . 27236 1 338 . 1 1 50 50 VAL C C 13 176.064 0.029 . 1 . 147 . . 50 VAL C . 27236 1 339 . 1 1 50 50 VAL CA C 13 62.139 0.004 . 1 . 148 . . 50 VAL CA . 27236 1 340 . 1 1 50 50 VAL CB C 13 32.754 . . 1 . 149 . . 50 VAL CB . 27236 1 341 . 1 1 50 50 VAL N N 15 119.539 0.11 . 1 . 142 . . 50 VAL N . 27236 1 342 . 1 1 51 51 LYS H H 1 8.315 0.005 . 1 . 150 . . 51 LYS H . 27236 1 343 . 1 1 51 51 LYS HA H 1 4.387 . . 1 . 732 . . 51 LYS HA . 27236 1 344 . 1 1 51 51 LYS HB2 H 1 1.546 . . 1 . 733 . . 51 LYS HB2 . 27236 1 345 . 1 1 51 51 LYS HG2 H 1 1.255 . . 1 . 734 . . 51 LYS HG2 . 27236 1 346 . 1 1 51 51 LYS C C 13 174.366 0.001 . 1 . 151 . . 51 LYS C . 27236 1 347 . 1 1 51 51 LYS CA C 13 54.157 . . 1 . 158 . . 51 LYS CA . 27236 1 348 . 1 1 51 51 LYS CB C 13 32.582 . . 1 . 155 . . 51 LYS CB . 27236 1 349 . 1 1 51 51 LYS N N 15 127.449 0.059 . 1 . 146 . . 51 LYS N . 27236 1 350 . 1 1 52 52 PRO HA H 1 4.220 0.015 . 1 . 699 . . 52 PRO HA . 27236 1 351 . 1 1 52 52 PRO C C 13 176.710 0.014 . 1 . 242 . . 52 PRO C . 27236 1 352 . 1 1 52 52 PRO CA C 13 62.862 0.041 . 1 . 241 . . 52 PRO CA . 27236 1 353 . 1 1 52 52 PRO CB C 13 32.667 . . 1 . 489 . . 52 PRO CB . 27236 1 354 . 1 1 52 52 PRO N N 15 137.111 . . 1 . 806 . . 52 PRO N . 27236 1 355 . 1 1 53 53 LYS H H 1 8.285 0.002 . 1 . 239 . . 53 LYS H . 27236 1 356 . 1 1 53 53 LYS HA H 1 4.067 0.014 . 1 . 730 . . 53 LYS HA . 27236 1 357 . 1 1 53 53 LYS HB2 H 1 1.542 . . 1 . 728 . . 53 LYS HB2 . 27236 1 358 . 1 1 53 53 LYS HG2 H 1 1.263 . . 1 . 729 . . 53 LYS HG2 . 27236 1 359 . 1 1 53 53 LYS HE2 H 1 2.827 . . 1 . 731 . . 53 LYS HE2 . 27236 1 360 . 1 1 53 53 LYS C C 13 176.062 0.019 . 1 . 238 . . 53 LYS C . 27236 1 361 . 1 1 53 53 LYS CA C 13 56.128 0.038 . 1 . 237 . . 53 LYS CA . 27236 1 362 . 1 1 53 53 LYS CB C 13 33.151 0.047 . 1 . 243 . . 53 LYS CB . 27236 1 363 . 1 1 53 53 LYS N N 15 122.268 0.041 . 1 . 240 . . 53 LYS N . 27236 1 364 . 1 1 54 54 ALA H H 1 8.231 0.001 . 1 . 232 . . 54 ALA H . 27236 1 365 . 1 1 54 54 ALA HA H 1 4.385 0.018 . 1 . 481 . . 54 ALA HA . 27236 1 366 . 1 1 54 54 ALA HB1 H 1 1.153 . . 1 . 727 . . 54 ALA HB1 . 27236 1 367 . 1 1 54 54 ALA HB2 H 1 1.153 . . 1 . 727 . . 54 ALA HB2 . 27236 1 368 . 1 1 54 54 ALA HB3 H 1 1.153 . . 1 . 727 . . 54 ALA HB3 . 27236 1 369 . 1 1 54 54 ALA C C 13 175.416 . . 1 . 236 . . 54 ALA C . 27236 1 370 . 1 1 54 54 ALA CA C 13 50.458 0.035 . 1 . 235 . . 54 ALA CA . 27236 1 371 . 1 1 54 54 ALA CB C 13 18.228 0.03 . 1 . 234 . . 54 ALA CB . 27236 1 372 . 1 1 54 54 ALA N N 15 127.023 0.032 . 1 . 233 . . 54 ALA N . 27236 1 373 . 1 1 55 55 PRO HA H 1 4.223 . . 1 . 805 . . 55 PRO HA . 27236 1 374 . 1 1 55 55 PRO C C 13 177.482 0.005 . 1 . 99 . . 55 PRO C . 27236 1 375 . 1 1 55 55 PRO CA C 13 63.370 0.0 . 1 . 98 . . 55 PRO CA . 27236 1 376 . 1 1 55 55 PRO CB C 13 32.083 . . 1 . 490 . . 55 PRO CB . 27236 1 377 . 1 1 55 55 PRO N N 15 135.253 0.011 . 1 . 482 . . 55 PRO N . 27236 1 378 . 1 1 56 56 GLY H H 1 8.257 0.003 . 1 . 96 . . 56 GLY H . 27236 1 379 . 1 1 56 56 GLY HA2 H 1 3.720 . . 1 . 726 . . 56 GLY HA2 . 27236 1 380 . 1 1 56 56 GLY C C 13 174.226 0.012 . 1 . 94 . . 56 GLY C . 27236 1 381 . 1 1 56 56 GLY CA C 13 45.150 0.005 . 1 . 95 . . 56 GLY CA . 27236 1 382 . 1 1 56 56 GLY N N 15 109.088 0.039 . 1 . 97 . . 56 GLY N . 27236 1 383 . 1 1 57 57 VAL H H 1 7.881 0.002 . 1 . 335 . . 57 VAL H . 27236 1 384 . 1 1 57 57 VAL HA H 1 3.954 . . 1 . 723 . . 57 VAL HA . 27236 1 385 . 1 1 57 57 VAL HB H 1 1.922 . . 1 . 724 . . 57 VAL HB . 27236 1 386 . 1 1 57 57 VAL HG11 H 1 0.739 . . 1 . 725 . . 57 VAL HG11 . 27236 1 387 . 1 1 57 57 VAL HG12 H 1 0.739 . . 1 . 725 . . 57 VAL HG12 . 27236 1 388 . 1 1 57 57 VAL HG13 H 1 0.739 . . 1 . 725 . . 57 VAL HG13 . 27236 1 389 . 1 1 57 57 VAL C C 13 176.939 0.005 . 1 . 93 . . 57 VAL C . 27236 1 390 . 1 1 57 57 VAL CA C 13 62.494 0.004 . 1 . 92 . . 57 VAL CA . 27236 1 391 . 1 1 57 57 VAL CB C 13 32.627 0.049 . 1 . 491 . . 57 VAL CB . 27236 1 392 . 1 1 57 57 VAL N N 15 119.239 0.034 . 1 . 336 . . 57 VAL N . 27236 1 393 . 1 1 58 58 GLY H H 1 8.457 0.002 . 1 . 90 . . 58 GLY H . 27236 1 394 . 1 1 58 58 GLY HA2 H 1 3.775 . . 1 . 720 . . 58 GLY HA2 . 27236 1 395 . 1 1 58 58 GLY C C 13 174.660 0.006 . 1 . 88 . . 58 GLY C . 27236 1 396 . 1 1 58 58 GLY CA C 13 45.340 0.02 . 1 . 89 . . 58 GLY CA . 27236 1 397 . 1 1 58 58 GLY N N 15 112.727 0.021 . 1 . 91 . . 58 GLY N . 27236 1 398 . 1 1 59 59 GLY H H 1 8.106 0.002 . 1 . 86 . . 59 GLY H . 27236 1 399 . 1 1 59 59 GLY HA2 H 1 3.738 . . 1 . 719 . . 59 GLY HA2 . 27236 1 400 . 1 1 59 59 GLY C C 13 174.000 0.007 . 1 . 84 . . 59 GLY C . 27236 1 401 . 1 1 59 59 GLY CA C 13 45.244 0.02 . 1 . 85 . . 59 GLY CA . 27236 1 402 . 1 1 59 59 GLY N N 15 108.767 0.045 . 1 . 87 . . 59 GLY N . 27236 1 403 . 1 1 60 60 ALA H H 1 8.044 0.003 . 1 . 83 . . 60 ALA H . 27236 1 404 . 1 1 60 60 ALA HA H 1 4.029 0.009 . 1 . 718 . . 60 ALA HA . 27236 1 405 . 1 1 60 60 ALA HB1 H 1 1.040 . . 1 . 717 . . 60 ALA HB1 . 27236 1 406 . 1 1 60 60 ALA HB2 H 1 1.040 . . 1 . 717 . . 60 ALA HB2 . 27236 1 407 . 1 1 60 60 ALA HB3 H 1 1.040 . . 1 . 717 . . 60 ALA HB3 . 27236 1 408 . 1 1 60 60 ALA C C 13 177.566 0.021 . 1 . 81 . . 60 ALA C . 27236 1 409 . 1 1 60 60 ALA CA C 13 52.650 0.017 . 1 . 27 . . 60 ALA CA . 27236 1 410 . 1 1 60 60 ALA CB C 13 19.233 . . 1 . 492 . . 60 ALA CB . 27236 1 411 . 1 1 60 60 ALA N N 15 123.658 0.012 . 1 . 82 . . 60 ALA N . 27236 1 412 . 1 1 61 61 PHE H H 1 8.108 0.001 . 1 . 24 . . 61 PHE H . 27236 1 413 . 1 1 61 61 PHE HA H 1 4.393 0.018 . 1 . 479 . . 61 PHE HA . 27236 1 414 . 1 1 61 61 PHE HB2 H 1 2.914 . . 2 . 715 . . 61 PHE HB2 . 27236 1 415 . 1 1 61 61 PHE HB3 H 1 2.819 . . 2 . 716 . . 61 PHE HB3 . 27236 1 416 . 1 1 61 61 PHE C C 13 175.510 0.014 . 1 . 80 . . 61 PHE C . 27236 1 417 . 1 1 61 61 PHE CA C 13 57.658 0.017 . 1 . 26 . . 61 PHE CA . 27236 1 418 . 1 1 61 61 PHE CB C 13 39.485 . . 1 . 119 . . 61 PHE CB . 27236 1 419 . 1 1 61 61 PHE N N 15 119.304 0.069 . 1 . 25 . . 61 PHE N . 27236 1 420 . 1 1 62 62 ALA H H 1 7.979 0.003 . 1 . 30 . . 62 ALA H . 27236 1 421 . 1 1 62 62 ALA HA H 1 4.098 0.01 . 1 . 588 . . 62 ALA HA . 27236 1 422 . 1 1 62 62 ALA HB1 H 1 1.134 . . 1 . 714 . . 62 ALA HB1 . 27236 1 423 . 1 1 62 62 ALA HB2 H 1 1.134 . . 1 . 714 . . 62 ALA HB2 . 27236 1 424 . 1 1 62 62 ALA HB3 H 1 1.134 . . 1 . 714 . . 62 ALA HB3 . 27236 1 425 . 1 1 62 62 ALA C C 13 177.612 0.009 . 1 . 79 . . 62 ALA C . 27236 1 426 . 1 1 62 62 ALA CA C 13 52.520 0.041 . 1 . 28 . . 62 ALA CA . 27236 1 427 . 1 1 62 62 ALA CB C 13 19.372 0.086 . 1 . 160 . . 62 ALA CB . 27236 1 428 . 1 1 62 62 ALA N N 15 126.006 0.055 . 1 . 29 . . 62 ALA N . 27236 1 429 . 1 1 63 63 GLY H H 1 7.541 0.007 . 1 . 161 . . 63 GLY H . 27236 1 430 . 1 1 63 63 GLY HA2 H 1 3.661 0.012 . 1 . 579 . . 63 GLY HA2 . 27236 1 431 . 1 1 63 63 GLY C C 13 173.433 0.038 . 1 . 162 . . 63 GLY C . 27236 1 432 . 1 1 63 63 GLY CA C 13 45.055 0.03 . 1 . 163 . . 63 GLY CA . 27236 1 433 . 1 1 63 63 GLY N N 15 107.408 0.049 . 1 . 159 . . 63 GLY N . 27236 1 434 . 1 1 64 64 ILE H H 1 7.896 0.001 . 1 . 193 . . 64 ILE H . 27236 1 435 . 1 1 64 64 ILE HA H 1 4.284 0.012 . 1 . 586 . . 64 ILE HA . 27236 1 436 . 1 1 64 64 ILE HB H 1 1.661 . . 1 . 712 . . 64 ILE HB . 27236 1 437 . 1 1 64 64 ILE HG21 H 1 0.736 . . 1 . 713 . . 64 ILE HG21 . 27236 1 438 . 1 1 64 64 ILE HG22 H 1 0.736 . . 1 . 713 . . 64 ILE HG22 . 27236 1 439 . 1 1 64 64 ILE HG23 H 1 0.736 . . 1 . 713 . . 64 ILE HG23 . 27236 1 440 . 1 1 64 64 ILE C C 13 174.641 0.025 . 1 . 195 . . 64 ILE C . 27236 1 441 . 1 1 64 64 ILE CA C 13 58.581 0.017 . 1 . 197 . . 64 ILE CA . 27236 1 442 . 1 1 64 64 ILE CB C 13 38.635 0.019 . 1 . 196 . . 64 ILE CB . 27236 1 443 . 1 1 64 64 ILE N N 15 121.927 0.044 . 1 . 194 . . 64 ILE N . 27236 1 444 . 1 1 65 65 PRO HA H 1 4.202 . . 1 . 623 . . 65 PRO HA . 27236 1 445 . 1 1 65 65 PRO CA C 13 63.553 . . 1 . 624 . . 65 PRO CA . 27236 1 446 . 1 1 65 65 PRO N N 15 140.261 0.004 . 1 . 587 . . 65 PRO N . 27236 1 447 . 1 1 66 66 GLY HA2 H 1 3.793 . . 1 . 696 . . 66 GLY HA2 . 27236 1 448 . 1 1 66 66 GLY C C 13 173.960 0.02 . 1 . 409 . . 66 GLY C . 27236 1 449 . 1 1 66 66 GLY CA C 13 45.320 . . 1 . 411 . . 66 GLY CA . 27236 1 450 . 1 1 67 67 VAL H H 1 7.783 0.003 . 1 . 323 . . 67 VAL H . 27236 1 451 . 1 1 67 67 VAL HA H 1 4.048 . . 1 . 695 . . 67 VAL HA . 27236 1 452 . 1 1 67 67 VAL HB H 1 1.942 . . 1 . 693 . . 67 VAL HB . 27236 1 453 . 1 1 67 67 VAL HG11 H 1 0.749 . . 1 . 694 . . 67 VAL HG11 . 27236 1 454 . 1 1 67 67 VAL HG12 H 1 0.749 . . 1 . 694 . . 67 VAL HG12 . 27236 1 455 . 1 1 67 67 VAL HG13 H 1 0.749 . . 1 . 694 . . 67 VAL HG13 . 27236 1 456 . 1 1 67 67 VAL C C 13 176.373 0.04 . 1 . 410 . . 67 VAL C . 27236 1 457 . 1 1 67 67 VAL CA C 13 62.041 0.0 . 1 . 412 . . 67 VAL CA . 27236 1 458 . 1 1 67 67 VAL CB C 13 33.293 . . 1 . 413 . . 67 VAL CB . 27236 1 459 . 1 1 67 67 VAL N N 15 118.694 0.181 . 1 . 324 . . 67 VAL N . 27236 1 460 . 1 1 68 68 GLY H H 1 8.260 0.002 . 1 . 270 . . 68 GLY H . 27236 1 461 . 1 1 68 68 GLY HA2 H 1 3.890 0.005 . 1 . 615 . . 68 GLY HA2 . 27236 1 462 . 1 1 68 68 GLY C C 13 172.315 0.006 . 1 . 414 . . 68 GLY C . 27236 1 463 . 1 1 68 68 GLY CA C 13 44.616 0.041 . 1 . 415 . . 68 GLY CA . 27236 1 464 . 1 1 68 68 GLY N N 15 112.441 0.058 . 1 . 386 . . 68 GLY N . 27236 1 465 . 1 1 69 69 PRO HA H 1 4.143 0.002 . 1 . 620 . . 69 PRO HA . 27236 1 466 . 1 1 69 69 PRO C C 13 177.102 0.016 . 1 . 118 . . 69 PRO C . 27236 1 467 . 1 1 69 69 PRO CA C 13 63.469 0.036 . 1 . 36 . . 69 PRO CA . 27236 1 468 . 1 1 69 69 PRO N N 15 133.862 0.017 . 1 . 614 . . 69 PRO N . 27236 1 469 . 1 1 70 70 PHE H H 1 8.255 0.005 . 1 . 31 . . 70 PHE H . 27236 1 470 . 1 1 70 70 PHE HA H 1 4.452 . . 1 . 709 . . 70 PHE HA . 27236 1 471 . 1 1 70 70 PHE HB2 H 1 3.035 . . 2 . 710 . . 70 PHE HB2 . 27236 1 472 . 1 1 70 70 PHE HB3 H 1 2.831 . . 2 . 711 . . 70 PHE HB3 . 27236 1 473 . 1 1 70 70 PHE C C 13 176.383 0.029 . 1 . 210 . . 70 PHE C . 27236 1 474 . 1 1 70 70 PHE CA C 13 57.707 0.043 . 1 . 33 . . 70 PHE CA . 27236 1 475 . 1 1 70 70 PHE CB C 13 39.019 . . 1 . 493 . . 70 PHE CB . 27236 1 476 . 1 1 70 70 PHE N N 15 119.757 0.082 . 1 . 32 . . 70 PHE N . 27236 1 477 . 1 1 71 71 GLY H H 1 8.009 0.002 . 1 . 34 . . 71 GLY H . 27236 1 478 . 1 1 71 71 GLY HA2 H 1 3.697 . . 1 . 708 . . 71 GLY HA2 . 27236 1 479 . 1 1 71 71 GLY C C 13 174.182 0.007 . 1 . 524 . . 71 GLY C . 27236 1 480 . 1 1 71 71 GLY CA C 13 45.217 0.004 . 1 . 56 . . 71 GLY CA . 27236 1 481 . 1 1 71 71 GLY N N 15 110.330 0.068 . 1 . 35 . . 71 GLY N . 27236 1 482 . 1 1 72 72 GLY H H 1 7.710 0.006 . 1 . 53 . . 72 GLY H . 27236 1 483 . 1 1 72 72 GLY HA3 H 1 3.868 . . 1 . 707 . . 72 GLY HA3 . 27236 1 484 . 1 1 72 72 GLY C C 13 171.322 . . 1 . 523 . . 72 GLY C . 27236 1 485 . 1 1 72 72 GLY CA C 13 44.464 0.054 . 1 . 55 . . 72 GLY CA . 27236 1 486 . 1 1 72 72 GLY N N 15 108.635 0.017 . 1 . 54 . . 72 GLY N . 27236 1 487 . 1 1 73 73 PRO HA H 1 4.321 . . 1 . 621 . . 73 PRO HA . 27236 1 488 . 1 1 73 73 PRO C C 13 176.945 0.02 . 1 . 478 . . 73 PRO C . 27236 1 489 . 1 1 73 73 PRO CA C 13 63.301 0.076 . 1 . 497 . . 73 PRO CA . 27236 1 490 . 1 1 73 73 PRO CB C 13 32.177 . . 1 . 496 . . 73 PRO CB . 27236 1 491 . 1 1 73 73 PRO N N 15 134.243 0.006 . 1 . 618 . . 73 PRO N . 27236 1 492 . 1 1 74 74 GLN H H 1 8.381 0.004 . 1 . 213 . . 74 GLN H . 27236 1 493 . 1 1 74 74 GLN HA H 1 4.390 . . 1 . 703 . . 74 GLN HA . 27236 1 494 . 1 1 74 74 GLN HB2 H 1 1.897 . . 2 . 704 . . 74 GLN HB2 . 27236 1 495 . 1 1 74 74 GLN HB3 H 1 1.667 . . 2 . 705 . . 74 GLN HB3 . 27236 1 496 . 1 1 74 74 GLN HG2 H 1 2.179 . . 1 . 706 . . 74 GLN HG2 . 27236 1 497 . 1 1 74 74 GLN HG3 H 1 2.179 . . 1 . 706 . . 74 GLN HG3 . 27236 1 498 . 1 1 74 74 GLN HE21 H 1 7.338 0.004 . 1 . 123 . . 74 GLN HE21 . 27236 1 499 . 1 1 74 74 GLN HE22 H 1 6.705 0.003 . 1 . 125 . . 74 GLN HE22 . 27236 1 500 . 1 1 74 74 GLN C C 13 173.908 0.006 . 1 . 477 . . 74 GLN C . 27236 1 501 . 1 1 74 74 GLN CA C 13 53.411 . . 1 . 494 . . 74 GLN CA . 27236 1 502 . 1 1 74 74 GLN CB C 13 29.025 . . 1 . 495 . . 74 GLN CB . 27236 1 503 . 1 1 74 74 GLN N N 15 121.895 0.044 . 1 . 214 . . 74 GLN N . 27236 1 504 . 1 1 74 74 GLN NE2 N 15 113.172 0.036 . 1 . 124 . . 74 GLN NE2 . 27236 1 505 . 1 1 75 75 PRO HA H 1 4.188 . . 1 . 752 . . 75 PRO HA . 27236 1 506 . 1 1 75 75 PRO C C 13 177.471 . . 1 . 530 . . 75 PRO C . 27236 1 507 . 1 1 75 75 PRO CA C 13 63.471 . . 1 . 498 . . 75 PRO CA . 27236 1 508 . 1 1 75 75 PRO CB C 13 32.164 . . 1 . 499 . . 75 PRO CB . 27236 1 509 . 1 1 75 75 PRO N N 15 137.338 . . 1 . 825 . . 75 PRO N . 27236 1 510 . 1 1 76 76 GLY H H 1 8.368 0.003 . 1 . 301 . . 76 GLY H . 27236 1 511 . 1 1 76 76 GLY HA2 H 1 3.731 . . 1 . 691 . . 76 GLY HA2 . 27236 1 512 . 1 1 76 76 GLY C C 13 173.805 . . 1 . 529 . . 76 GLY C . 27236 1 513 . 1 1 76 76 GLY CA C 13 45.128 . . 1 . 290 . . 76 GLY CA . 27236 1 514 . 1 1 76 76 GLY N N 15 109.597 0.026 . 1 . 302 . . 76 GLY N . 27236 1 515 . 1 1 77 77 VAL H H 1 7.701 0.006 . 1 . 268 . . 77 VAL H . 27236 1 516 . 1 1 77 77 VAL HA H 1 4.207 . . 1 . 686 . . 77 VAL HA . 27236 1 517 . 1 1 77 77 VAL HB H 1 1.832 . . 1 . 687 . . 77 VAL HB . 27236 1 518 . 1 1 77 77 VAL HG11 H 1 0.711 . . 1 . 688 . . 77 VAL HG11 . 27236 1 519 . 1 1 77 77 VAL HG12 H 1 0.711 . . 1 . 688 . . 77 VAL HG12 . 27236 1 520 . 1 1 77 77 VAL HG13 H 1 0.711 . . 1 . 688 . . 77 VAL HG13 . 27236 1 521 . 1 1 77 77 VAL C C 13 174.351 . . 1 . 556 . . 77 VAL C . 27236 1 522 . 1 1 77 77 VAL CA C 13 59.726 . . 1 . 289 . . 77 VAL CA . 27236 1 523 . 1 1 77 77 VAL CB C 13 32.600 . . 1 . 429 . . 77 VAL CB . 27236 1 524 . 1 1 77 77 VAL N N 15 120.665 0.069 . 1 . 269 . . 77 VAL N . 27236 1 525 . 1 1 78 78 PRO HA H 1 4.169 . . 1 . 698 . . 78 PRO HA . 27236 1 526 . 1 1 78 78 PRO C C 13 176.761 . . 1 . 508 . . 78 PRO C . 27236 1 527 . 1 1 78 78 PRO CA C 13 63.000 . . 1 . 500 . . 78 PRO CA . 27236 1 528 . 1 1 78 78 PRO CB C 13 32.170 . . 1 . 810 . . 78 PRO CB . 27236 1 529 . 1 1 79 79 LEU H H 1 8.203 0.004 . 1 . 390 . . 79 LEU H . 27236 1 530 . 1 1 79 79 LEU HA H 1 4.049 . . 1 . 697 . . 79 LEU HA . 27236 1 531 . 1 1 79 79 LEU C C 13 177.994 0.001 . 1 . 507 . . 79 LEU C . 27236 1 532 . 1 1 79 79 LEU CA C 13 55.587 0.066 . 1 . 433 . . 79 LEU CA . 27236 1 533 . 1 1 79 79 LEU CB C 13 42.255 0.119 . 1 . 431 . . 79 LEU CB . 27236 1 534 . 1 1 79 79 LEU N N 15 122.546 0.022 . 1 . 391 . . 79 LEU N . 27236 1 535 . 1 1 80 80 GLY H H 1 8.203 0.002 . 1 . 328 . . 80 GLY H . 27236 1 536 . 1 1 80 80 GLY HA2 H 1 3.656 . . 1 . 690 . . 80 GLY HA2 . 27236 1 537 . 1 1 80 80 GLY C C 13 173.279 0.006 . 1 . 509 . . 80 GLY C . 27236 1 538 . 1 1 80 80 GLY CA C 13 45.045 0.042 . 1 . 432 . . 80 GLY CA . 27236 1 539 . 1 1 80 80 GLY N N 15 109.336 0.027 . 1 . 329 . . 80 GLY N . 27236 1 540 . 1 1 81 81 TYR H H 1 7.741 0.013 . 1 . 330 . . 81 TYR H . 27236 1 541 . 1 1 81 81 TYR HA H 1 4.633 0.006 . 1 . 604 . . 81 TYR HA . 27236 1 542 . 1 1 81 81 TYR HB2 H 1 2.697 . . 1 . 689 . . 81 TYR HB2 . 27236 1 543 . 1 1 81 81 TYR C C 13 173.915 0.041 . 1 . 349 . . 81 TYR C . 27236 1 544 . 1 1 81 81 TYR CA C 13 55.945 0.038 . 1 . 603 . . 81 TYR CA . 27236 1 545 . 1 1 81 81 TYR CB C 13 40.222 . . 1 . 434 . . 81 TYR CB . 27236 1 546 . 1 1 81 81 TYR N N 15 120.958 0.057 . 1 . 322 . . 81 TYR N . 27236 1 547 . 1 1 82 82 PRO HA H 1 4.232 . . 1 . 803 . . 82 PRO HA . 27236 1 548 . 1 1 82 82 PRO C C 13 176.515 . . 1 . 558 . . 82 PRO C . 27236 1 549 . 1 1 82 82 PRO CA C 13 62.987 . . 1 . 811 . . 82 PRO CA . 27236 1 550 . 1 1 82 82 PRO N N 15 137.589 . . 1 . 605 . . 82 PRO N . 27236 1 551 . 1 1 83 83 ILE H H 1 8.009 0.008 . 1 . 389 . . 83 ILE H . 27236 1 552 . 1 1 83 83 ILE HA H 1 3.937 . . 1 . 683 . . 83 ILE HA . 27236 1 553 . 1 1 83 83 ILE HB H 1 1.596 . . 1 . 684 . . 83 ILE HB . 27236 1 554 . 1 1 83 83 ILE HG21 H 1 0.703 . . 1 . 685 . . 83 ILE HG21 . 27236 1 555 . 1 1 83 83 ILE HG22 H 1 0.703 . . 1 . 685 . . 83 ILE HG22 . 27236 1 556 . 1 1 83 83 ILE HG23 H 1 0.703 . . 1 . 685 . . 83 ILE HG23 . 27236 1 557 . 1 1 83 83 ILE C C 13 176.288 0.014 . 1 . 559 . . 83 ILE C . 27236 1 558 . 1 1 83 83 ILE CA C 13 61.113 0.025 . 1 . 435 . . 83 ILE CA . 27236 1 559 . 1 1 83 83 ILE N N 15 121.328 0.119 . 1 . 388 . . 83 ILE N . 27236 1 560 . 1 1 84 84 LYS H H 1 8.224 0.02 . 1 . 396 . . 84 LYS H . 27236 1 561 . 1 1 84 84 LYS HA H 1 4.120 . . 1 . 680 . . 84 LYS HA . 27236 1 562 . 1 1 84 84 LYS HB2 H 1 1.519 . . 1 . 682 . . 84 LYS HB2 . 27236 1 563 . 1 1 84 84 LYS HG2 H 1 1.210 . . 1 . 681 . . 84 LYS HG2 . 27236 1 564 . 1 1 84 84 LYS C C 13 175.573 0.014 . 1 . 354 . . 84 LYS C . 27236 1 565 . 1 1 84 84 LYS CA C 13 55.851 0.018 . 1 . 355 . . 84 LYS CA . 27236 1 566 . 1 1 84 84 LYS N N 15 125.572 0.065 . 1 . 397 . . 84 LYS N . 27236 1 567 . 1 1 85 85 ALA H H 1 8.172 0.005 . 1 . 244 . . 85 ALA H . 27236 1 568 . 1 1 85 85 ALA HA H 1 4.352 0.014 . 1 . 594 . . 85 ALA HA . 27236 1 569 . 1 1 85 85 ALA HB1 H 1 1.131 . . 1 . 676 . . 85 ALA HB1 . 27236 1 570 . 1 1 85 85 ALA HB2 H 1 1.131 . . 1 . 676 . . 85 ALA HB2 . 27236 1 571 . 1 1 85 85 ALA HB3 H 1 1.131 . . 1 . 676 . . 85 ALA HB3 . 27236 1 572 . 1 1 85 85 ALA C C 13 175.314 0.031 . 1 . 353 . . 85 ALA C . 27236 1 573 . 1 1 85 85 ALA CA C 13 50.481 0.029 . 1 . 595 . . 85 ALA CA . 27236 1 574 . 1 1 85 85 ALA CB C 13 18.257 . . 1 . 506 . . 85 ALA CB . 27236 1 575 . 1 1 85 85 ALA N N 15 127.216 0.069 . 1 . 245 . . 85 ALA N . 27236 1 576 . 1 1 86 86 PRO HA H 1 4.189 . . 1 . 606 . . 86 PRO HA . 27236 1 577 . 1 1 86 86 PRO C C 13 176.526 . . 1 . 538 . . 86 PRO C . 27236 1 578 . 1 1 86 86 PRO CA C 13 62.822 0.022 . 1 . 502 . . 86 PRO CA . 27236 1 579 . 1 1 86 86 PRO CB C 13 32.095 . . 1 . 809 . . 86 PRO CB . 27236 1 580 . 1 1 86 86 PRO N N 15 135.457 . . 1 . 596 . . 86 PRO N . 27236 1 581 . 1 1 87 87 LYS H H 1 8.234 0.004 . 1 . 327 . . 87 LYS H . 27236 1 582 . 1 1 87 87 LYS HA H 1 4.062 . . 1 . 677 . . 87 LYS HA . 27236 1 583 . 1 1 87 87 LYS HB2 H 1 1.523 . . 1 . 678 . . 87 LYS HB2 . 27236 1 584 . 1 1 87 87 LYS HG2 H 1 1.212 . . 1 . 679 . . 87 LYS HG2 . 27236 1 585 . 1 1 87 87 LYS C C 13 176.385 0.015 . 1 . 539 . . 87 LYS C . 27236 1 586 . 1 1 87 87 LYS CA C 13 56.126 0.0 . 1 . 501 . . 87 LYS CA . 27236 1 587 . 1 1 87 87 LYS CB C 13 33.093 0.14 . 1 . 807 . . 87 LYS CB . 27236 1 588 . 1 1 87 87 LYS N N 15 121.754 0.052 . 1 . 808 . . 87 LYS N . 27236 1 589 . 1 1 88 88 LEU H H 1 8.132 0.003 . 1 . 392 . . 88 LEU H . 27236 1 590 . 1 1 88 88 LEU HA H 1 4.305 . . 1 . 674 . . 88 LEU HA . 27236 1 591 . 1 1 88 88 LEU HB2 H 1 1.359 . . 1 . 675 . . 88 LEU HB2 . 27236 1 592 . 1 1 88 88 LEU C C 13 175.257 . . 1 . 541 . . 88 LEU C . 27236 1 593 . 1 1 88 88 LEU CA C 13 52.870 . . 1 . 812 . . 88 LEU CA . 27236 1 594 . 1 1 88 88 LEU CB C 13 41.761 . . 1 . 813 . . 88 LEU CB . 27236 1 595 . 1 1 88 88 LEU N N 15 124.765 0.047 . 1 . 393 . . 88 LEU N . 27236 1 596 . 1 1 89 89 PRO C C 13 177.623 . . 1 . 544 . . 89 PRO C . 27236 1 597 . 1 1 89 89 PRO CA C 13 63.792 . . 1 . 503 . . 89 PRO CA . 27236 1 598 . 1 1 89 89 PRO CB C 13 31.834 . . 1 . 814 . . 89 PRO CB . 27236 1 599 . 1 1 90 90 GLY H H 1 8.137 0.003 . 1 . 307 . . 90 GLY H . 27236 1 600 . 1 1 90 90 GLY HA2 H 1 3.753 . . 1 . 673 . . 90 GLY HA2 . 27236 1 601 . 1 1 90 90 GLY C C 13 174.694 0.01 . 1 . 528 . . 90 GLY C . 27236 1 602 . 1 1 90 90 GLY CA C 13 45.421 0.023 . 1 . 424 . . 90 GLY CA . 27236 1 603 . 1 1 90 90 GLY N N 15 109.874 0.019 . 1 . 308 . . 90 GLY N . 27236 1 604 . 1 1 91 91 GLY H H 1 8.056 0.002 . 1 . 401 . . 91 GLY H . 27236 1 605 . 1 1 91 91 GLY HA2 H 1 3.692 . . 1 . 672 . . 91 GLY HA2 . 27236 1 606 . 1 1 91 91 GLY C C 13 173.899 0.001 . 1 . 527 . . 91 GLY C . 27236 1 607 . 1 1 91 91 GLY CA C 13 45.254 0.01 . 1 . 422 . . 91 GLY CA . 27236 1 608 . 1 1 91 91 GLY N N 15 108.593 0.034 . 1 . 402 . . 91 GLY N . 27236 1 609 . 1 1 92 92 TYR H H 1 7.924 0.003 . 1 . 317 . . 92 TYR H . 27236 1 610 . 1 1 92 92 TYR HA H 1 4.341 . . 1 . 670 . . 92 TYR HA . 27236 1 611 . 1 1 92 92 TYR HB2 H 1 2.796 . . 1 . 671 . . 92 TYR HB2 . 27236 1 612 . 1 1 92 92 TYR C C 13 176.286 0.012 . 1 . 377 . . 92 TYR C . 27236 1 613 . 1 1 92 92 TYR CA C 13 58.286 0.083 . 1 . 421 . . 92 TYR CA . 27236 1 614 . 1 1 92 92 TYR CB C 13 38.848 . . 1 . 423 . . 92 TYR CB . 27236 1 615 . 1 1 92 92 TYR N N 15 119.685 0.035 . 1 . 318 . . 92 TYR N . 27236 1 616 . 1 1 93 93 GLY H H 1 8.206 0.003 . 1 . 325 . . 93 GLY H . 27236 1 617 . 1 1 93 93 GLY HA2 H 1 3.659 . . 1 . 669 . . 93 GLY HA2 . 27236 1 618 . 1 1 93 93 GLY C C 13 173.524 0.024 . 1 . 352 . . 93 GLY C . 27236 1 619 . 1 1 93 93 GLY CA C 13 45.089 0.048 . 1 . 351 . . 93 GLY CA . 27236 1 620 . 1 1 93 93 GLY N N 15 110.453 0.054 . 1 . 326 . . 93 GLY N . 27236 1 621 . 1 1 94 94 LEU H H 1 7.815 0.003 . 1 . 297 . . 94 LEU H . 27236 1 622 . 1 1 94 94 LEU HA H 1 4.373 . . 1 . 667 . . 94 LEU HA . 27236 1 623 . 1 1 94 94 LEU HB2 H 1 1.366 . . 1 . 668 . . 94 LEU HB2 . 27236 1 624 . 1 1 94 94 LEU C C 13 175.518 . . 1 . 505 . . 94 LEU C . 27236 1 625 . 1 1 94 94 LEU CA C 13 53.098 0.0 . 1 . 350 . . 94 LEU CA . 27236 1 626 . 1 1 94 94 LEU CB C 13 41.612 . . 1 . 420 . . 94 LEU CB . 27236 1 627 . 1 1 94 94 LEU N N 15 122.403 0.05 . 1 . 298 . . 94 LEU N . 27236 1 628 . 1 1 95 95 PRO CA C 13 62.185 . . 1 . 815 . . 95 PRO CA . 27236 1 629 . 1 1 95 95 PRO CB C 13 32.753 . . 1 . 816 . . 95 PRO CB . 27236 1 630 . 1 1 96 96 TYR H H 1 7.741 0.0 . 1 . 437 . . 96 TYR H . 27236 1 631 . 1 1 96 96 TYR HA H 1 4.336 . . 1 . 665 . . 96 TYR HA . 27236 1 632 . 1 1 96 96 TYR HB2 H 1 2.729 . . 1 . 666 . . 96 TYR HB2 . 27236 1 633 . 1 1 96 96 TYR C C 13 175.954 0.041 . 1 . 122 . . 96 TYR C . 27236 1 634 . 1 1 96 96 TYR CA C 13 57.875 . . 1 . 60 . . 96 TYR CA . 27236 1 635 . 1 1 96 96 TYR CB C 13 38.787 . . 1 . 436 . . 96 TYR CB . 27236 1 636 . 1 1 96 96 TYR N N 15 119.640 0.007 . 1 . 438 . . 96 TYR N . 27236 1 637 . 1 1 97 97 THR H H 1 7.872 0.002 . 1 . 57 . . 97 THR H . 27236 1 638 . 1 1 97 97 THR HA H 1 4.187 . . 1 . 664 . . 97 THR HA . 27236 1 639 . 1 1 97 97 THR C C 13 174.290 . . 1 . 121 . . 97 THR C . 27236 1 640 . 1 1 97 97 THR CA C 13 61.461 0.012 . 1 . 59 . . 97 THR CA . 27236 1 641 . 1 1 97 97 THR N N 15 115.550 0.095 . 1 . 58 . . 97 THR N . 27236 1 642 . 1 1 98 98 THR H H 1 7.944 0.003 . 1 . 61 . . 98 THR H . 27236 1 643 . 1 1 98 98 THR HA H 1 4.110 . . 1 . 663 . . 98 THR HA . 27236 1 644 . 1 1 98 98 THR C C 13 175.078 0.01 . 1 . 120 . . 98 THR C . 27236 1 645 . 1 1 98 98 THR CA C 13 62.114 0.015 . 1 . 63 . . 98 THR CA . 27236 1 646 . 1 1 98 98 THR CB C 13 70.163 . . 1 . 275 . . 98 THR CB . 27236 1 647 . 1 1 98 98 THR N N 15 115.413 0.078 . 1 . 62 . . 98 THR N . 27236 1 648 . 1 1 99 99 GLY H H 1 8.214 0.004 . 1 . 273 . . 99 GLY H . 27236 1 649 . 1 1 99 99 GLY HA2 H 1 3.761 . . 1 . 662 . . 99 GLY HA2 . 27236 1 650 . 1 1 99 99 GLY C C 13 173.704 0.008 . 1 . 536 . . 99 GLY C . 27236 1 651 . 1 1 99 99 GLY CA C 13 45.258 0.001 . 1 . 360 . . 99 GLY CA . 27236 1 652 . 1 1 99 99 GLY N N 15 111.197 0.038 . 1 . 274 . . 99 GLY N . 27236 1 653 . 1 1 100 100 LYS H H 1 7.967 0.002 . 1 . 337 . . 100 LYS H . 27236 1 654 . 1 1 100 100 LYS HA H 1 4.112 . . 1 . 661 . . 100 LYS HA . 27236 1 655 . 1 1 100 100 LYS HB2 H 1 1.511 . . 1 . 659 . . 100 LYS HB2 . 27236 1 656 . 1 1 100 100 LYS HG2 H 1 1.189 . . 1 . 660 . . 100 LYS HG2 . 27236 1 657 . 1 1 100 100 LYS C C 13 176.339 0.002 . 1 . 537 . . 100 LYS C . 27236 1 658 . 1 1 100 100 LYS CA C 13 55.974 . . 1 . 574 . . 100 LYS CA . 27236 1 659 . 1 1 100 100 LYS CB C 13 33.148 0.151 . 1 . 575 . . 100 LYS CB . 27236 1 660 . 1 1 100 100 LYS N N 15 120.676 0.033 . 1 . 338 . . 100 LYS N . 27236 1 661 . 1 1 101 101 LEU H H 1 8.154 0.002 . 1 . 394 . . 101 LEU H . 27236 1 662 . 1 1 101 101 LEU HA H 1 4.416 . . 1 . 655 . . 101 LEU HA . 27236 1 663 . 1 1 101 101 LEU HB2 H 1 1.357 . . 1 . 656 . . 101 LEU HB2 . 27236 1 664 . 1 1 101 101 LEU C C 13 175.262 . . 1 . 540 . . 101 LEU C . 27236 1 665 . 1 1 101 101 LEU CA C 13 52.770 . . 1 . 818 . . 101 LEU CA . 27236 1 666 . 1 1 101 101 LEU CB C 13 41.710 . . 1 . 817 . . 101 LEU CB . 27236 1 667 . 1 1 101 101 LEU N N 15 125.120 0.025 . 1 . 395 . . 101 LEU N . 27236 1 668 . 1 1 102 102 PRO HA H 1 4.195 . . 1 . 613 . . 102 PRO HA . 27236 1 669 . 1 1 102 102 PRO C C 13 176.215 . . 1 . 823 . . 102 PRO C . 27236 1 670 . 1 1 102 102 PRO CA C 13 62.986 0.109 . 1 . 819 . . 102 PRO CA . 27236 1 671 . 1 1 102 102 PRO CB C 13 31.744 . . 1 . 820 . . 102 PRO CB . 27236 1 672 . 1 1 103 103 TYR H H 1 8.012 0.003 . 1 . 357 . . 103 TYR H . 27236 1 673 . 1 1 103 103 TYR HA H 1 4.404 . . 1 . 654 . . 103 TYR HA . 27236 1 674 . 1 1 103 103 TYR HB2 H 1 2.796 . . 1 . 653 . . 103 TYR HB2 . 27236 1 675 . 1 1 103 103 TYR C C 13 176.328 0.059 . 1 . 356 . . 103 TYR C . 27236 1 676 . 1 1 103 103 TYR CA C 13 58.513 . . 1 . 359 . . 103 TYR CA . 27236 1 677 . 1 1 103 103 TYR CB C 13 38.643 . . 1 . 824 . . 103 TYR CB . 27236 1 678 . 1 1 103 103 TYR N N 15 120.218 0.06 . 1 . 358 . . 103 TYR N . 27236 1 679 . 1 1 104 104 GLY H H 1 8.020 0.005 . 1 . 295 . . 104 GLY H . 27236 1 680 . 1 1 104 104 GLY HA2 H 1 3.425 . . 2 . 651 . . 104 GLY HA2 . 27236 1 681 . 1 1 104 104 GLY HA3 H 1 3.637 . . 2 . 652 . . 104 GLY HA3 . 27236 1 682 . 1 1 104 104 GLY C C 13 173.595 0.009 . 1 . 535 . . 104 GLY C . 27236 1 683 . 1 1 104 104 GLY CA C 13 45.098 . . 1 . 381 . . 104 GLY CA . 27236 1 684 . 1 1 104 104 GLY N N 15 111.215 0.058 . 1 . 296 . . 104 GLY N . 27236 1 685 . 1 1 105 105 TYR H H 1 7.733 0.001 . 1 . 341 . . 105 TYR H . 27236 1 686 . 1 1 105 105 TYR HA H 1 4.336 . . 1 . 649 . . 105 TYR HA . 27236 1 687 . 1 1 105 105 TYR HB2 H 1 2.729 . . 1 . 650 . . 105 TYR HB2 . 27236 1 688 . 1 1 105 105 TYR C C 13 175.949 0.008 . 1 . 418 . . 105 TYR C . 27236 1 689 . 1 1 105 105 TYR CA C 13 58.071 0.034 . 1 . 417 . . 105 TYR CA . 27236 1 690 . 1 1 105 105 TYR CB C 13 39.286 . . 1 . 430 . . 105 TYR CB . 27236 1 691 . 1 1 105 105 TYR N N 15 119.477 0.048 . 1 . 342 . . 105 TYR N . 27236 1 692 . 1 1 106 106 GLY H H 1 8.081 0.003 . 1 . 303 . . 106 GLY H . 27236 1 693 . 1 1 106 106 GLY HA2 H 1 3.849 0.006 . 1 . 617 . . 106 GLY HA2 . 27236 1 694 . 1 1 106 106 GLY C C 13 171.889 . . 1 . 543 . . 106 GLY C . 27236 1 695 . 1 1 106 106 GLY CA C 13 44.584 0.008 . 1 . 416 . . 106 GLY CA . 27236 1 696 . 1 1 106 106 GLY N N 15 110.231 0.037 . 1 . 304 . . 106 GLY N . 27236 1 697 . 1 1 107 107 PRO HA H 1 4.210 . . 1 . 622 . . 107 PRO HA . 27236 1 698 . 1 1 107 107 PRO C C 13 177.906 . . 1 . 531 . . 107 PRO C . 27236 1 699 . 1 1 107 107 PRO CA C 13 63.797 0.003 . 1 . 573 . . 107 PRO CA . 27236 1 700 . 1 1 107 107 PRO CB C 13 32.011 . . 1 . 821 . . 107 PRO CB . 27236 1 701 . 1 1 107 107 PRO N N 15 134.462 0.05 . 1 . 616 . . 107 PRO N . 27236 1 702 . 1 1 108 108 GLY H H 1 8.477 0.002 . 1 . 333 . . 108 GLY H . 27236 1 703 . 1 1 108 108 GLY HA2 H 1 3.736 . . 1 . 648 . . 108 GLY HA2 . 27236 1 704 . 1 1 108 108 GLY C C 13 174.800 0.013 . 1 . 526 . . 108 GLY C . 27236 1 705 . 1 1 108 108 GLY CA C 13 45.316 0.017 . 1 . 572 . . 108 GLY CA . 27236 1 706 . 1 1 108 108 GLY N N 15 109.674 0.026 . 1 . 334 . . 108 GLY N . 27236 1 707 . 1 1 109 109 GLY H H 1 8.005 0.003 . 1 . 405 . . 109 GLY H . 27236 1 708 . 1 1 109 109 GLY HA2 H 1 3.715 . . 1 . 647 . . 109 GLY HA2 . 27236 1 709 . 1 1 109 109 GLY C C 13 174.137 0.014 . 1 . 525 . . 109 GLY C . 27236 1 710 . 1 1 109 109 GLY CA C 13 45.015 . . 1 . 571 . . 109 GLY CA . 27236 1 711 . 1 1 109 109 GLY N N 15 108.586 0.007 . 1 . 406 . . 109 GLY N . 27236 1 712 . 1 1 110 110 VAL H H 1 7.801 0.001 . 1 . 553 . . 110 VAL H . 27236 1 713 . 1 1 110 110 VAL HA H 1 3.823 . . 1 . 644 . . 110 VAL HA . 27236 1 714 . 1 1 110 110 VAL HB H 1 1.819 . . 1 . 645 . . 110 VAL HB . 27236 1 715 . 1 1 110 110 VAL HG11 H 1 0.700 . . 1 . 646 . . 110 VAL HG11 . 27236 1 716 . 1 1 110 110 VAL HG12 H 1 0.700 . . 1 . 646 . . 110 VAL HG12 . 27236 1 717 . 1 1 110 110 VAL HG13 H 1 0.700 . . 1 . 646 . . 110 VAL HG13 . 27236 1 718 . 1 1 110 110 VAL C C 13 176.118 0.042 . 1 . 398 . . 110 VAL C . 27236 1 719 . 1 1 110 110 VAL CA C 13 62.247 . . 1 . 376 . . 110 VAL CA . 27236 1 720 . 1 1 110 110 VAL CB C 13 32.623 . . 1 . 576 . . 110 VAL CB . 27236 1 721 . 1 1 110 110 VAL N N 15 119.270 0.005 . 1 . 554 . . 110 VAL N . 27236 1 722 . 1 1 111 111 ALA H H 1 8.283 0.001 . 1 . 184 . . 111 ALA H . 27236 1 723 . 1 1 111 111 ALA HA H 1 4.046 0.018 . 1 . 589 . . 111 ALA HA . 27236 1 724 . 1 1 111 111 ALA HB1 H 1 1.144 . . 1 . 643 . . 111 ALA HB1 . 27236 1 725 . 1 1 111 111 ALA HB2 H 1 1.144 . . 1 . 643 . . 111 ALA HB2 . 27236 1 726 . 1 1 111 111 ALA HB3 H 1 1.144 . . 1 . 643 . . 111 ALA HB3 . 27236 1 727 . 1 1 111 111 ALA C C 13 178.365 0.011 . 1 . 185 . . 111 ALA C . 27236 1 728 . 1 1 111 111 ALA CA C 13 52.894 0.007 . 1 . 590 . . 111 ALA CA . 27236 1 729 . 1 1 111 111 ALA CB C 13 19.006 . . 1 . 186 . . 111 ALA CB . 27236 1 730 . 1 1 111 111 ALA N N 15 127.370 0.063 . 1 . 183 . . 111 ALA N . 27236 1 731 . 1 1 112 112 GLY H H 1 8.088 0.002 . 1 . 182 . . 112 GLY H . 27236 1 732 . 1 1 112 112 GLY HA2 H 1 3.715 . . 1 . 642 . . 112 GLY HA2 . 27236 1 733 . 1 1 112 112 GLY C C 13 174.059 0.004 . 1 . 115 . . 112 GLY C . 27236 1 734 . 1 1 112 112 GLY CA C 13 45.281 . . 1 . 117 . . 112 GLY CA . 27236 1 735 . 1 1 112 112 GLY N N 15 108.482 0.064 . 1 . 181 . . 112 GLY N . 27236 1 736 . 1 1 113 113 ALA H H 1 7.926 0.004 . 1 . 114 . . 113 ALA H . 27236 1 737 . 1 1 113 113 ALA HA H 1 4.080 . . 1 . 641 . . 113 ALA HA . 27236 1 738 . 1 1 113 113 ALA HB1 H 1 1.140 . . 1 . 640 . . 113 ALA HB1 . 27236 1 739 . 1 1 113 113 ALA HB2 H 1 1.140 . . 1 . 640 . . 113 ALA HB2 . 27236 1 740 . 1 1 113 113 ALA HB3 H 1 1.140 . . 1 . 640 . . 113 ALA HB3 . 27236 1 741 . 1 1 113 113 ALA C C 13 177.774 0.008 . 1 . 112 . . 113 ALA C . 27236 1 742 . 1 1 113 113 ALA CA C 13 52.690 0.001 . 1 . 3 . . 113 ALA CA . 27236 1 743 . 1 1 113 113 ALA CB C 13 19.377 . . 1 . 116 . . 113 ALA CB . 27236 1 744 . 1 1 113 113 ALA N N 15 123.727 0.03 . 1 . 113 . . 113 ALA N . 27236 1 745 . 1 1 114 114 ALA H H 1 8.140 0.002 . 1 . 1 . . 114 ALA H . 27236 1 746 . 1 1 114 114 ALA HA H 1 4.057 0.014 . 1 . 480 . . 114 ALA HA . 27236 1 747 . 1 1 114 114 ALA HB1 H 1 1.169 . . 1 . 639 . . 114 ALA HB1 . 27236 1 748 . 1 1 114 114 ALA HB2 H 1 1.169 . . 1 . 639 . . 114 ALA HB2 . 27236 1 749 . 1 1 114 114 ALA HB3 H 1 1.169 . . 1 . 639 . . 114 ALA HB3 . 27236 1 750 . 1 1 114 114 ALA C C 13 178.402 0.023 . 1 . 110 . . 114 ALA C . 27236 1 751 . 1 1 114 114 ALA CA C 13 52.843 0.023 . 1 . 4 . . 114 ALA CA . 27236 1 752 . 1 1 114 114 ALA CB C 13 19.072 . . 1 . 111 . . 114 ALA CB . 27236 1 753 . 1 1 114 114 ALA N N 15 122.758 0.04 . 1 . 2 . . 114 ALA N . 27236 1 754 . 1 1 115 115 GLY H H 1 8.096 0.001 . 1 . 109 . . 115 GLY H . 27236 1 755 . 1 1 115 115 GLY HA2 H 1 3.704 . . 1 . 638 . . 115 GLY HA2 . 27236 1 756 . 1 1 115 115 GLY C C 13 174.261 0.018 . 1 . 107 . . 115 GLY C . 27236 1 757 . 1 1 115 115 GLY CA C 13 45.319 . . 1 . 42 . . 115 GLY CA . 27236 1 758 . 1 1 115 115 GLY N N 15 107.881 0.034 . 1 . 108 . . 115 GLY N . 27236 1 759 . 1 1 116 116 LYS H H 1 7.947 0.002 . 1 . 41 . . 116 LYS H . 27236 1 760 . 1 1 116 116 LYS HA H 1 4.102 0.006 . 1 . 465 . . 116 LYS HA . 27236 1 761 . 1 1 116 116 LYS HB2 H 1 1.540 . . 1 . 636 . . 116 LYS HB2 . 27236 1 762 . 1 1 116 116 LYS HG2 H 1 1.199 . . 1 . 637 . . 116 LYS HG2 . 27236 1 763 . 1 1 116 116 LYS C C 13 176.509 0.026 . 1 . 106 . . 116 LYS C . 27236 1 764 . 1 1 116 116 LYS CA C 13 56.226 0.02 . 1 . 39 . . 116 LYS CA . 27236 1 765 . 1 1 116 116 LYS CB C 13 33.130 0.012 . 1 . 103 . . 116 LYS CB . 27236 1 766 . 1 1 116 116 LYS N N 15 120.901 0.029 . 1 . 40 . . 116 LYS N . 27236 1 767 . 1 1 117 117 ALA H H 1 8.174 0.003 . 1 . 37 . . 117 ALA H . 27236 1 768 . 1 1 117 117 ALA HA H 1 4.079 0.015 . 1 . 591 . . 117 ALA HA . 27236 1 769 . 1 1 117 117 ALA HB1 H 1 1.155 . . 1 . 635 . . 117 ALA HB1 . 27236 1 770 . 1 1 117 117 ALA HB2 H 1 1.155 . . 1 . 635 . . 117 ALA HB2 . 27236 1 771 . 1 1 117 117 ALA HB3 H 1 1.155 . . 1 . 635 . . 117 ALA HB3 . 27236 1 772 . 1 1 117 117 ALA C C 13 178.071 0.029 . 1 . 105 . . 117 ALA C . 27236 1 773 . 1 1 117 117 ALA CA C 13 52.849 0.029 . 1 . 592 . . 117 ALA CA . 27236 1 774 . 1 1 117 117 ALA CB C 13 19.152 . . 1 . 104 . . 117 ALA CB . 27236 1 775 . 1 1 117 117 ALA N N 15 124.910 0.047 . 1 . 38 . . 117 ALA N . 27236 1 776 . 1 1 118 118 GLY H H 1 8.111 0.001 . 1 . 178 . . 118 GLY H . 27236 1 777 . 1 1 118 118 GLY HA2 H 1 3.664 . . 1 . 634 . . 118 GLY HA2 . 27236 1 778 . 1 1 118 118 GLY C C 13 173.428 0.02 . 1 . 180 . . 118 GLY C . 27236 1 779 . 1 1 118 118 GLY CA C 13 44.962 0.019 . 1 . 179 . . 118 GLY CA . 27236 1 780 . 1 1 118 118 GLY N N 15 107.879 0.03 . 1 . 177 . . 118 GLY N . 27236 1 781 . 1 1 119 119 TYR H H 1 7.819 0.001 . 1 . 286 . . 119 TYR H . 27236 1 782 . 1 1 119 119 TYR HA H 1 4.593 0.007 . 1 . 580 . . 119 TYR HA . 27236 1 783 . 1 1 119 119 TYR HB2 H 1 2.648 . . 2 . 632 . . 119 TYR HB2 . 27236 1 784 . 1 1 119 119 TYR HB3 H 1 2.856 . . 2 . 633 . . 119 TYR HB3 . 27236 1 785 . 1 1 119 119 TYR C C 13 174.080 . . 1 . 557 . . 119 TYR C . 27236 1 786 . 1 1 119 119 TYR CA C 13 55.979 0.025 . 1 . 288 . . 119 TYR CA . 27236 1 787 . 1 1 119 119 TYR CB C 13 38.199 . . 1 . 504 . . 119 TYR CB . 27236 1 788 . 1 1 119 119 TYR N N 15 120.897 0.03 . 1 . 287 . . 119 TYR N . 27236 1 789 . 1 1 120 120 PRO HA H 1 4.344 0.001 . 1 . 599 . . 120 PRO HA . 27236 1 790 . 1 1 120 120 PRO C C 13 177.131 . . 1 . 551 . . 120 PRO C . 27236 1 791 . 1 1 120 120 PRO CA C 13 63.246 0.011 . 1 . 14 . . 120 PRO CA . 27236 1 792 . 1 1 120 120 PRO CB C 13 32.135 . . 1 . 486 . . 120 PRO CB . 27236 1 793 . 1 1 120 120 PRO N N 15 137.513 0.073 . 1 . 581 . . 120 PRO N . 27236 1 794 . 1 1 121 121 THR H H 1 8.175 0.016 . 1 . 11 . . 121 THR H . 27236 1 795 . 1 1 121 121 THR HA H 1 4.146 0.002 . 1 . 597 . . 121 THR HA . 27236 1 796 . 1 1 121 121 THR HG21 H 1 1.063 . . 1 . 631 . . 121 THR HG21 . 27236 1 797 . 1 1 121 121 THR HG22 H 1 1.063 . . 1 . 631 . . 121 THR HG22 . 27236 1 798 . 1 1 121 121 THR HG23 H 1 1.063 . . 1 . 631 . . 121 THR HG23 . 27236 1 799 . 1 1 121 121 THR C C 13 175.286 0.044 . 1 . 533 . . 121 THR C . 27236 1 800 . 1 1 121 121 THR CA C 13 62.052 0.038 . 1 . 13 . . 121 THR CA . 27236 1 801 . 1 1 121 121 THR CB C 13 70.092 . . 1 . 487 . . 121 THR CB . 27236 1 802 . 1 1 121 121 THR N N 15 114.583 0.069 . 1 . 12 . . 121 THR N . 27236 1 803 . 1 1 122 122 GLY H H 1 8.326 0.003 . 1 . 66 . . 122 GLY H . 27236 1 804 . 1 1 122 122 GLY HA2 H 1 3.843 0.011 . 1 . 483 . . 122 GLY HA2 . 27236 1 805 . 1 1 122 122 GLY C C 13 173.655 0.003 . 1 . 532 . . 122 GLY C . 27236 1 806 . 1 1 122 122 GLY CA C 13 45.464 0.042 . 1 . 71 . . 122 GLY CA . 27236 1 807 . 1 1 122 122 GLY N N 15 111.687 0.052 . 1 . 67 . . 122 GLY N . 27236 1 808 . 1 1 123 123 THR H H 1 7.605 0.004 . 1 . 72 . . 123 THR H . 27236 1 809 . 1 1 123 123 THR HA H 1 3.979 . . 1 . 629 . . 123 THR HA . 27236 1 810 . 1 1 123 123 THR HG21 H 1 0.950 . . 1 . 630 . . 123 THR HG21 . 27236 1 811 . 1 1 123 123 THR HG22 H 1 0.950 . . 1 . 630 . . 123 THR HG22 . 27236 1 812 . 1 1 123 123 THR HG23 H 1 0.950 . . 1 . 630 . . 123 THR HG23 . 27236 1 813 . 1 1 123 123 THR C C 13 179.388 . . 1 . 555 . . 123 THR C . 27236 1 814 . 1 1 123 123 THR CA C 13 63.277 . . 1 . 74 . . 123 THR CA . 27236 1 815 . 1 1 123 123 THR CB C 13 70.771 . . 1 . 822 . . 123 THR CB . 27236 1 816 . 1 1 123 123 THR N N 15 118.538 0.026 . 1 . 73 . . 123 THR N . 27236 1 stop_ save_