data_17620 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17620 _Entry.Title ; 1H,15N and 13C Assignment of the D2 domain of the Human Fibroblast Growth Factor Receptor 4 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-05-03 _Entry.Accession_date 2011-05-03 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _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.Entry_ID 1 Bettina Elshorst . . . 17620 2 Krishna Saxena . . . 17620 3 Ulrich Schieborr . . . 17620 4 Harald Schwalbe . . . 17620 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Inst. f. Org. Chem. & Chem. Biol.' . 17620 2 . 'Goethe University Frankfurt' . 17620 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17620 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 343 17620 '15N chemical shifts' 87 17620 '1H chemical shifts' 546 17620 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 2 . . 2014-02-26 2011-05-03 update BMRB 'update entry citation' 17620 1 . . 2011-06-03 2011-05-03 original author 'original release' 17620 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17620 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22752790 _Citation.Full_citation . _Citation.Title '1H, 13C and 15N assignment of D2 domain of human fibroblast growth factor receptor 4.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 7 _Citation.Journal_issue 2 _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 179 _Citation.Page_last 182 _Citation.Year 2013 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Bettina Elshorst . . . 17620 1 2 Krishna Saxena . . . 17620 1 3 Ulrich Schieborr . . . 17620 1 4 Harald Schwalbe . . . 17620 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17620 _Assembly.ID 1 _Assembly.Name 'D2 domain of human fibroblast growth factor receptor 4' _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 'FGFR4 D2' 1 $FGFR4_D2 A . yes native no no . . . 17620 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_FGFR4_D2 _Entity.Sf_category entity _Entity.Sf_framecode FGFR4_D2 _Entity.Entry_ID 17620 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name FGFR4_D2 _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 ; MNRHSYPQQAPYWTHPQRME KKLHAVPAGNTVKFRCPAAG NPTPTIRWLKDGQAFHGENR IGGIRLRHQHWSLVMESVVP SDRGTYTCLVENAVGSIRYN YLLDVLLEHHHHHH ; _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 114 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _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 . MET . 17620 1 2 . ASN . 17620 1 3 . ARG . 17620 1 4 . HIS . 17620 1 5 . SER . 17620 1 6 . TYR . 17620 1 7 . PRO . 17620 1 8 . GLN . 17620 1 9 . GLN . 17620 1 10 . ALA . 17620 1 11 . PRO . 17620 1 12 . TYR . 17620 1 13 . TRP . 17620 1 14 . THR . 17620 1 15 . HIS . 17620 1 16 . PRO . 17620 1 17 . GLN . 17620 1 18 . ARG . 17620 1 19 . MET . 17620 1 20 . GLU . 17620 1 21 . LYS . 17620 1 22 . LYS . 17620 1 23 . LEU . 17620 1 24 . HIS . 17620 1 25 . ALA . 17620 1 26 . VAL . 17620 1 27 . PRO . 17620 1 28 . ALA . 17620 1 29 . GLY . 17620 1 30 . ASN . 17620 1 31 . THR . 17620 1 32 . VAL . 17620 1 33 . LYS . 17620 1 34 . PHE . 17620 1 35 . ARG . 17620 1 36 . CYS . 17620 1 37 . PRO . 17620 1 38 . ALA . 17620 1 39 . ALA . 17620 1 40 . GLY . 17620 1 41 . ASN . 17620 1 42 . PRO . 17620 1 43 . THR . 17620 1 44 . PRO . 17620 1 45 . THR . 17620 1 46 . ILE . 17620 1 47 . ARG . 17620 1 48 . TRP . 17620 1 49 . LEU . 17620 1 50 . LYS . 17620 1 51 . ASP . 17620 1 52 . GLY . 17620 1 53 . GLN . 17620 1 54 . ALA . 17620 1 55 . PHE . 17620 1 56 . HIS . 17620 1 57 . GLY . 17620 1 58 . GLU . 17620 1 59 . ASN . 17620 1 60 . ARG . 17620 1 61 . ILE . 17620 1 62 . GLY . 17620 1 63 . GLY . 17620 1 64 . ILE . 17620 1 65 . ARG . 17620 1 66 . LEU . 17620 1 67 . ARG . 17620 1 68 . HIS . 17620 1 69 . GLN . 17620 1 70 . HIS . 17620 1 71 . TRP . 17620 1 72 . SER . 17620 1 73 . LEU . 17620 1 74 . VAL . 17620 1 75 . MET . 17620 1 76 . GLU . 17620 1 77 . SER . 17620 1 78 . VAL . 17620 1 79 . VAL . 17620 1 80 . PRO . 17620 1 81 . SER . 17620 1 82 . ASP . 17620 1 83 . ARG . 17620 1 84 . GLY . 17620 1 85 . THR . 17620 1 86 . TYR . 17620 1 87 . THR . 17620 1 88 . CYS . 17620 1 89 . LEU . 17620 1 90 . VAL . 17620 1 91 . GLU . 17620 1 92 . ASN . 17620 1 93 . ALA . 17620 1 94 . VAL . 17620 1 95 . GLY . 17620 1 96 . SER . 17620 1 97 . ILE . 17620 1 98 . ARG . 17620 1 99 . TYR . 17620 1 100 . ASN . 17620 1 101 . TYR . 17620 1 102 . LEU . 17620 1 103 . LEU . 17620 1 104 . ASP . 17620 1 105 . VAL . 17620 1 106 . LEU . 17620 1 107 . LEU . 17620 1 108 . GLU . 17620 1 109 . HIS . 17620 1 110 . HIS . 17620 1 111 . HIS . 17620 1 112 . HIS . 17620 1 113 . HIS . 17620 1 114 . HIS . 17620 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 . MET 1 1 17620 1 . ASN 2 2 17620 1 . ARG 3 3 17620 1 . HIS 4 4 17620 1 . SER 5 5 17620 1 . TYR 6 6 17620 1 . PRO 7 7 17620 1 . GLN 8 8 17620 1 . GLN 9 9 17620 1 . ALA 10 10 17620 1 . PRO 11 11 17620 1 . TYR 12 12 17620 1 . TRP 13 13 17620 1 . THR 14 14 17620 1 . HIS 15 15 17620 1 . PRO 16 16 17620 1 . GLN 17 17 17620 1 . ARG 18 18 17620 1 . MET 19 19 17620 1 . GLU 20 20 17620 1 . LYS 21 21 17620 1 . LYS 22 22 17620 1 . LEU 23 23 17620 1 . HIS 24 24 17620 1 . ALA 25 25 17620 1 . VAL 26 26 17620 1 . PRO 27 27 17620 1 . ALA 28 28 17620 1 . GLY 29 29 17620 1 . ASN 30 30 17620 1 . THR 31 31 17620 1 . VAL 32 32 17620 1 . LYS 33 33 17620 1 . PHE 34 34 17620 1 . ARG 35 35 17620 1 . CYS 36 36 17620 1 . PRO 37 37 17620 1 . ALA 38 38 17620 1 . ALA 39 39 17620 1 . GLY 40 40 17620 1 . ASN 41 41 17620 1 . PRO 42 42 17620 1 . THR 43 43 17620 1 . PRO 44 44 17620 1 . THR 45 45 17620 1 . ILE 46 46 17620 1 . ARG 47 47 17620 1 . TRP 48 48 17620 1 . LEU 49 49 17620 1 . LYS 50 50 17620 1 . ASP 51 51 17620 1 . GLY 52 52 17620 1 . GLN 53 53 17620 1 . ALA 54 54 17620 1 . PHE 55 55 17620 1 . HIS 56 56 17620 1 . GLY 57 57 17620 1 . GLU 58 58 17620 1 . ASN 59 59 17620 1 . ARG 60 60 17620 1 . ILE 61 61 17620 1 . GLY 62 62 17620 1 . GLY 63 63 17620 1 . ILE 64 64 17620 1 . ARG 65 65 17620 1 . LEU 66 66 17620 1 . ARG 67 67 17620 1 . HIS 68 68 17620 1 . GLN 69 69 17620 1 . HIS 70 70 17620 1 . TRP 71 71 17620 1 . SER 72 72 17620 1 . LEU 73 73 17620 1 . VAL 74 74 17620 1 . MET 75 75 17620 1 . GLU 76 76 17620 1 . SER 77 77 17620 1 . VAL 78 78 17620 1 . VAL 79 79 17620 1 . PRO 80 80 17620 1 . SER 81 81 17620 1 . ASP 82 82 17620 1 . ARG 83 83 17620 1 . GLY 84 84 17620 1 . THR 85 85 17620 1 . TYR 86 86 17620 1 . THR 87 87 17620 1 . CYS 88 88 17620 1 . LEU 89 89 17620 1 . VAL 90 90 17620 1 . GLU 91 91 17620 1 . ASN 92 92 17620 1 . ALA 93 93 17620 1 . VAL 94 94 17620 1 . GLY 95 95 17620 1 . SER 96 96 17620 1 . ILE 97 97 17620 1 . ARG 98 98 17620 1 . TYR 99 99 17620 1 . ASN 100 100 17620 1 . TYR 101 101 17620 1 . LEU 102 102 17620 1 . LEU 103 103 17620 1 . ASP 104 104 17620 1 . VAL 105 105 17620 1 . LEU 106 106 17620 1 . LEU 107 107 17620 1 . GLU 108 108 17620 1 . HIS 109 109 17620 1 . HIS 110 110 17620 1 . HIS 111 111 17620 1 . HIS 112 112 17620 1 . HIS 113 113 17620 1 . HIS 114 114 17620 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 17620 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $FGFR4_D2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 17620 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 17620 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $FGFR4_D2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . BL21(DE3) . . . . . . 17620 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17620 _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 'FGFR4 D2' '[U-99% 13C; U-99% 15N]' . . 1 $FGFR4_D2 . . 0.7 . . mM . . . . 17620 1 2 BIS-TRIS 'natural abundance' . . . . . . 25 . . mM . . . . 17620 1 3 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 17620 1 4 arginine 'natural abundance' . . . . . . 25 . . mM . . . . 17620 1 5 TSP 'natural abundance' . . . . . . 1 . . mM . . . . 17620 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17620 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17620 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17620 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'FGFR4 D2' '[U-99% 13C; U-99% 15N]' . . 1 $FGFR4_D2 . . 0.7 . . mM . . . . 17620 2 2 BIS-TRIS 'natural abundance' . . . . . . 25 . . mM . . . . 17620 2 3 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 17620 2 4 arginine 'natural abundance' . . . . . . 25 . . mM . . . . 17620 2 5 TSP 'natural abundance' . . . . . . 1 . . mM . . . . 17620 2 6 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17620 2 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 17620 _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' 200 . mM 17620 1 pH 6.0 . pH 17620 1 pressure 1 . atm 17620 1 temperature 298 . K 17620 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 17620 _Software.ID 1 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Rochus Keller' . . 17620 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17620 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17620 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17620 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _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 17620 _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 DRX . 800 . . . 17620 1 2 spectrometer_2 Bruker DRX . 600 . . . 17620 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 17620 _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 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17620 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17620 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17620 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17620 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17620 1 6 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17620 1 7 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17620 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17620 1 9 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17620 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17620 1 11 '2D 1H-13C HMQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17620 1 12 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17620 1 13 '3D CCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17620 1 14 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17620 1 15 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17620 1 16 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17620 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17620 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 17620 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17620 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 17620 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 17620 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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' . . . 17620 1 2 '3D HNCO' . . . 17620 1 3 '3D HNCA' . . . 17620 1 4 '3D HNCACB' . . . 17620 1 5 '3D CBCA(CO)NH' . . . 17620 1 6 '3D C(CO)NH' . . . 17620 1 7 '3D H(CCO)NH' . . . 17620 1 8 '3D HBHA(CO)NH' . . . 17620 1 9 '3D HNHA' . . . 17620 1 10 '3D 1H-15N NOESY' . . . 17620 1 11 '2D 1H-13C HMQC' . . . 17620 1 12 '3D HCCH-TOCSY' . . . 17620 1 13 '3D CCH-TOCSY' . . . 17620 1 14 '2D 1H-1H TOCSY' . . . 17620 1 15 '2D 1H-1H NOESY' . . . 17620 1 16 '3D 1H-13C NOESY aliphatic' . . . 17620 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 5 5 SER HA H 1 4.373 0.02 . 1 . . . . 5 SER HA . 17620 1 2 . 1 1 5 5 SER HB2 H 1 3.683 0.02 . 2 . . . . 5 SER HB . 17620 1 3 . 1 1 5 5 SER HB3 H 1 3.683 0.02 . 2 . . . . 5 SER HB . 17620 1 4 . 1 1 5 5 SER CA C 13 58.299 0.1 . 1 . . . . 5 SER CA . 17620 1 5 . 1 1 5 5 SER CB C 13 63.909 0.1 . 1 . . . . 5 SER CB . 17620 1 6 . 1 1 6 6 TYR H H 1 8.130 0.02 . 1 . . . . 6 TYR H . 17620 1 7 . 1 1 6 6 TYR HA H 1 4.779 0.02 . 1 . . . . 6 TYR HA . 17620 1 8 . 1 1 6 6 TYR HB2 H 1 3.043 0.02 . 2 . . . . 6 TYR HB2 . 17620 1 9 . 1 1 6 6 TYR HB3 H 1 2.725 0.02 . 2 . . . . 6 TYR HB3 . 17620 1 10 . 1 1 6 6 TYR HD1 H 1 7.088 0.02 . 3 . . . . 6 TYR HD . 17620 1 11 . 1 1 6 6 TYR HD2 H 1 7.088 0.02 . 3 . . . . 6 TYR HD . 17620 1 12 . 1 1 6 6 TYR HE1 H 1 6.741 0.02 . 3 . . . . 6 TYR HE . 17620 1 13 . 1 1 6 6 TYR HE2 H 1 6.741 0.02 . 3 . . . . 6 TYR HE . 17620 1 14 . 1 1 6 6 TYR CA C 13 55.852 0.1 . 1 . . . . 6 TYR CA . 17620 1 15 . 1 1 6 6 TYR CB C 13 38.064 0.1 . 1 . . . . 6 TYR CB . 17620 1 16 . 1 1 6 6 TYR CD1 C 13 133.283 0.1 . 3 . . . . 6 TYR CD1 . 17620 1 17 . 1 1 6 6 TYR CE1 C 13 118.297 0.1 . 3 . . . . 6 TYR CE1 . 17620 1 18 . 1 1 6 6 TYR N N 15 122.566 0.1 . 1 . . . . 6 TYR N . 17620 1 19 . 1 1 7 7 PRO HA H 1 4.378 0.02 . 1 . . . . 7 PRO HA . 17620 1 20 . 1 1 7 7 PRO HB2 H 1 1.857 0.02 . 2 . . . . 7 PRO HB2 . 17620 1 21 . 1 1 7 7 PRO HB3 H 1 1.934 0.02 . 2 . . . . 7 PRO HB3 . 17620 1 22 . 1 1 7 7 PRO HG2 H 1 2.239 0.02 . 2 . . . . 7 PRO HG . 17620 1 23 . 1 1 7 7 PRO HG3 H 1 2.239 0.02 . 2 . . . . 7 PRO HG . 17620 1 24 . 1 1 7 7 PRO HD2 H 1 3.676 0.02 . 2 . . . . 7 PRO HD . 17620 1 25 . 1 1 7 7 PRO HD3 H 1 3.676 0.02 . 2 . . . . 7 PRO HD . 17620 1 26 . 1 1 7 7 PRO CA C 13 63.216 0.1 . 1 . . . . 7 PRO CA . 17620 1 27 . 1 1 7 7 PRO CB C 13 32.059 0.1 . 1 . . . . 7 PRO CB . 17620 1 28 . 1 1 7 7 PRO CG C 13 27.123 0.1 . 1 . . . . 7 PRO CG . 17620 1 29 . 1 1 8 8 GLN H H 1 8.422 0.02 . 1 . . . . 8 GLN H . 17620 1 30 . 1 1 8 8 GLN HA H 1 4.228 0.02 . 1 . . . . 8 GLN HA . 17620 1 31 . 1 1 8 8 GLN HB2 H 1 1.909 0.02 . 2 . . . . 8 GLN HB . 17620 1 32 . 1 1 8 8 GLN HB3 H 1 1.909 0.02 . 2 . . . . 8 GLN HB . 17620 1 33 . 1 1 8 8 GLN HG2 H 1 2.382 0.02 . 2 . . . . 8 GLN HG . 17620 1 34 . 1 1 8 8 GLN HG3 H 1 2.382 0.02 . 2 . . . . 8 GLN HG . 17620 1 35 . 1 1 8 8 GLN C C 13 175.998 0.1 . 1 . . . . 8 GLN C . 17620 1 36 . 1 1 8 8 GLN CA C 13 56.867 0.1 . 1 . . . . 8 GLN CA . 17620 1 37 . 1 1 8 8 GLN CB C 13 29.994 0.1 . 1 . . . . 8 GLN CB . 17620 1 38 . 1 1 8 8 GLN CG C 13 34.813 0.1 . 1 . . . . 8 GLN CG . 17620 1 39 . 1 1 8 8 GLN N N 15 120.779 0.1 . 1 . . . . 8 GLN N . 17620 1 40 . 1 1 9 9 GLN H H 1 9.778 0.02 . 1 . . . . 9 GLN H . 17620 1 41 . 1 1 9 9 GLN HA H 1 4.509 0.02 . 1 . . . . 9 GLN HA . 17620 1 42 . 1 1 9 9 GLN HB2 H 1 1.835 0.02 . 2 . . . . 9 GLN HB . 17620 1 43 . 1 1 9 9 GLN HB3 H 1 1.835 0.02 . 2 . . . . 9 GLN HB . 17620 1 44 . 1 1 9 9 GLN HG2 H 1 2.332 0.02 . 2 . . . . 9 GLN HG . 17620 1 45 . 1 1 9 9 GLN HG3 H 1 2.332 0.02 . 2 . . . . 9 GLN HG . 17620 1 46 . 1 1 9 9 GLN C C 13 175.049 0.1 . 1 . . . . 9 GLN C . 17620 1 47 . 1 1 9 9 GLN CA C 13 55.471 0.1 . 1 . . . . 9 GLN CA . 17620 1 48 . 1 1 9 9 GLN CB C 13 32.895 0.1 . 1 . . . . 9 GLN CB . 17620 1 49 . 1 1 9 9 GLN CG C 13 33.554 0.1 . 1 . . . . 9 GLN CG . 17620 1 50 . 1 1 9 9 GLN N N 15 122.113 0.1 . 1 . . . . 9 GLN N . 17620 1 51 . 1 1 10 10 ALA H H 1 8.879 0.02 . 1 . . . . 10 ALA H . 17620 1 52 . 1 1 10 10 ALA HA H 1 4.257 0.02 . 1 . . . . 10 ALA HA . 17620 1 53 . 1 1 10 10 ALA HB1 H 1 1.242 0.02 . 1 . . . . 10 ALA HB . 17620 1 54 . 1 1 10 10 ALA HB2 H 1 1.242 0.02 . 1 . . . . 10 ALA HB . 17620 1 55 . 1 1 10 10 ALA HB3 H 1 1.242 0.02 . 1 . . . . 10 ALA HB . 17620 1 56 . 1 1 10 10 ALA CA C 13 51.261 0.1 . 1 . . . . 10 ALA CA . 17620 1 57 . 1 1 10 10 ALA CB C 13 16.401 0.1 . 1 . . . . 10 ALA CB . 17620 1 58 . 1 1 10 10 ALA N N 15 130.357 0.1 . 1 . . . . 10 ALA N . 17620 1 59 . 1 1 11 11 PRO HA H 1 4.978 0.02 . 1 . . . . 11 PRO HA . 17620 1 60 . 1 1 11 11 PRO HB2 H 1 1.203 0.02 . 2 . . . . 11 PRO HB2 . 17620 1 61 . 1 1 11 11 PRO HB3 H 1 1.441 0.02 . 2 . . . . 11 PRO HB3 . 17620 1 62 . 1 1 11 11 PRO HG2 H 1 1.295 0.02 . 2 . . . . 11 PRO HG2 . 17620 1 63 . 1 1 11 11 PRO HG3 H 1 1.742 0.02 . 2 . . . . 11 PRO HG3 . 17620 1 64 . 1 1 11 11 PRO HD2 H 1 3.695 0.02 . 2 . . . . 11 PRO HD2 . 17620 1 65 . 1 1 11 11 PRO HD3 H 1 2.818 0.02 . 2 . . . . 11 PRO HD3 . 17620 1 66 . 1 1 11 11 PRO CA C 13 62.222 0.1 . 1 . . . . 11 PRO CA . 17620 1 67 . 1 1 11 11 PRO CB C 13 32.486 0.1 . 1 . . . . 11 PRO CB . 17620 1 68 . 1 1 11 11 PRO CG C 13 28.479 0.1 . 1 . . . . 11 PRO CG . 17620 1 69 . 1 1 12 12 TYR H H 1 7.759 0.02 . 1 . . . . 12 TYR H . 17620 1 70 . 1 1 12 12 TYR HA H 1 4.267 0.02 . 1 . . . . 12 TYR HA . 17620 1 71 . 1 1 12 12 TYR HB2 H 1 2.661 0.02 . 2 . . . . 12 TYR HB . 17620 1 72 . 1 1 12 12 TYR HB3 H 1 2.661 0.02 . 2 . . . . 12 TYR HB . 17620 1 73 . 1 1 12 12 TYR HD1 H 1 6.824 0.02 . 3 . . . . 12 TYR HD . 17620 1 74 . 1 1 12 12 TYR HD2 H 1 6.824 0.02 . 3 . . . . 12 TYR HD . 17620 1 75 . 1 1 12 12 TYR HE1 H 1 6.337 0.02 . 3 . . . . 12 TYR HE . 17620 1 76 . 1 1 12 12 TYR HE2 H 1 6.337 0.02 . 3 . . . . 12 TYR HE . 17620 1 77 . 1 1 12 12 TYR C C 13 173.151 0.1 . 1 . . . . 12 TYR C . 17620 1 78 . 1 1 12 12 TYR CA C 13 54.792 0.1 . 1 . . . . 12 TYR CA . 17620 1 79 . 1 1 12 12 TYR CB C 13 40.330 0.1 . 1 . . . . 12 TYR CB . 17620 1 80 . 1 1 12 12 TYR CD1 C 13 134.548 0.1 . 3 . . . . 12 TYR CD1 . 17620 1 81 . 1 1 12 12 TYR CE1 C 13 117.099 0.1 . 3 . . . . 12 TYR CE1 . 17620 1 82 . 1 1 12 12 TYR N N 15 114.481 0.1 . 1 . . . . 12 TYR N . 17620 1 83 . 1 1 13 13 TRP H H 1 7.632 0.02 . 1 . . . . 13 TRP H . 17620 1 84 . 1 1 13 13 TRP HA H 1 5.242 0.02 . 1 . . . . 13 TRP HA . 17620 1 85 . 1 1 13 13 TRP HB2 H 1 3.404 0.02 . 2 . . . . 13 TRP HB2 . 17620 1 86 . 1 1 13 13 TRP HB3 H 1 2.906 0.02 . 2 . . . . 13 TRP HB3 . 17620 1 87 . 1 1 13 13 TRP C C 13 178.520 0.1 . 1 . . . . 13 TRP C . 17620 1 88 . 1 1 13 13 TRP CA C 13 54.453 0.1 . 1 . . . . 13 TRP CA . 17620 1 89 . 1 1 13 13 TRP CB C 13 30.135 0.1 . 1 . . . . 13 TRP CB . 17620 1 90 . 1 1 13 13 TRP N N 15 117.414 0.1 . 1 . . . . 13 TRP N . 17620 1 91 . 1 1 14 14 THR H H 1 7.758 0.02 . 1 . . . . 14 THR H . 17620 1 92 . 1 1 14 14 THR HA H 1 4.066 0.02 . 1 . . . . 14 THR HA . 17620 1 93 . 1 1 14 14 THR HB H 1 3.944 0.02 . 1 . . . . 14 THR HB . 17620 1 94 . 1 1 14 14 THR HG21 H 1 0.739 0.02 . 1 . . . . 14 THR HG2 . 17620 1 95 . 1 1 14 14 THR HG22 H 1 0.739 0.02 . 1 . . . . 14 THR HG2 . 17620 1 96 . 1 1 14 14 THR HG23 H 1 0.739 0.02 . 1 . . . . 14 THR HG2 . 17620 1 97 . 1 1 14 14 THR C C 13 175.674 0.1 . 1 . . . . 14 THR C . 17620 1 98 . 1 1 14 14 THR CA C 13 62.939 0.1 . 1 . . . . 14 THR CA . 17620 1 99 . 1 1 14 14 THR CB C 13 68.432 0.1 . 1 . . . . 14 THR CB . 17620 1 100 . 1 1 14 14 THR CG2 C 13 22.758 0.1 . 1 . . . . 14 THR CG2 . 17620 1 101 . 1 1 14 14 THR N N 15 113.079 0.1 . 1 . . . . 14 THR N . 17620 1 102 . 1 1 15 15 HIS H H 1 8.546 0.02 . 1 . . . . 15 HIS H . 17620 1 103 . 1 1 15 15 HIS HA H 1 4.922 0.02 . 1 . . . . 15 HIS HA . 17620 1 104 . 1 1 15 15 HIS HB2 H 1 2.885 0.02 . 2 . . . . 15 HIS HB2 . 17620 1 105 . 1 1 15 15 HIS HB3 H 1 2.663 0.02 . 2 . . . . 15 HIS HB3 . 17620 1 106 . 1 1 15 15 HIS CA C 13 55.107 0.1 . 1 . . . . 15 HIS CA . 17620 1 107 . 1 1 15 15 HIS CB C 13 31.126 0.1 . 1 . . . . 15 HIS CB . 17620 1 108 . 1 1 15 15 HIS N N 15 119.423 0.1 . 1 . . . . 15 HIS N . 17620 1 109 . 1 1 16 16 PRO HA H 1 3.935 0.02 . 1 . . . . 16 PRO HA . 17620 1 110 . 1 1 16 16 PRO HB2 H 1 1.989 0.02 . 2 . . . . 16 PRO HB . 17620 1 111 . 1 1 16 16 PRO HB3 H 1 1.989 0.02 . 2 . . . . 16 PRO HB . 17620 1 112 . 1 1 16 16 PRO HG2 H 1 2.212 0.02 . 2 . . . . 16 PRO HG . 17620 1 113 . 1 1 16 16 PRO HG3 H 1 2.212 0.02 . 2 . . . . 16 PRO HG . 17620 1 114 . 1 1 16 16 PRO CA C 13 65.668 0.1 . 1 . . . . 16 PRO CA . 17620 1 115 . 1 1 16 16 PRO CB C 13 30.827 0.1 . 1 . . . . 16 PRO CB . 17620 1 116 . 1 1 16 16 PRO CG C 13 27.764 0.1 . 1 . . . . 16 PRO CG . 17620 1 117 . 1 1 16 16 PRO CD C 13 49.869 0.1 . 1 . . . . 16 PRO CD . 17620 1 118 . 1 1 17 17 GLN H H 1 9.098 0.02 . 1 . . . . 17 GLN H . 17620 1 119 . 1 1 17 17 GLN HA H 1 4.207 0.02 . 1 . . . . 17 GLN HA . 17620 1 120 . 1 1 17 17 GLN HB2 H 1 2.085 0.02 . 2 . . . . 17 GLN HB . 17620 1 121 . 1 1 17 17 GLN HB3 H 1 2.085 0.02 . 2 . . . . 17 GLN HB . 17620 1 122 . 1 1 17 17 GLN HG2 H 1 2.383 0.02 . 2 . . . . 17 GLN HG2 . 17620 1 123 . 1 1 17 17 GLN HG3 H 1 2.548 0.02 . 2 . . . . 17 GLN HG3 . 17620 1 124 . 1 1 17 17 GLN C C 13 178.520 0.1 . 1 . . . . 17 GLN C . 17620 1 125 . 1 1 17 17 GLN CA C 13 58.971 0.1 . 1 . . . . 17 GLN CA . 17620 1 126 . 1 1 17 17 GLN CB C 13 27.267 0.1 . 1 . . . . 17 GLN CB . 17620 1 127 . 1 1 17 17 GLN CG C 13 33.991 0.1 . 1 . . . . 17 GLN CG . 17620 1 128 . 1 1 17 17 GLN N N 15 118.383 0.1 . 1 . . . . 17 GLN N . 17620 1 129 . 1 1 18 18 ARG H H 1 7.688 0.02 . 1 . . . . 18 ARG H . 17620 1 130 . 1 1 18 18 ARG HA H 1 4.317 0.02 . 1 . . . . 18 ARG HA . 17620 1 131 . 1 1 18 18 ARG HB2 H 1 1.713 0.02 . 2 . . . . 18 ARG HB . 17620 1 132 . 1 1 18 18 ARG HB3 H 1 1.713 0.02 . 2 . . . . 18 ARG HB . 17620 1 133 . 1 1 18 18 ARG C C 13 176.275 0.1 . 1 . . . . 18 ARG C . 17620 1 134 . 1 1 18 18 ARG CA C 13 56.806 0.1 . 1 . . . . 18 ARG CA . 17620 1 135 . 1 1 18 18 ARG CB C 13 29.916 0.1 . 1 . . . . 18 ARG CB . 17620 1 136 . 1 1 18 18 ARG N N 15 116.323 0.1 . 1 . . . . 18 ARG N . 17620 1 137 . 1 1 19 19 MET H H 1 8.236 0.02 . 1 . . . . 19 MET H . 17620 1 138 . 1 1 19 19 MET HA H 1 4.093 0.02 . 1 . . . . 19 MET HA . 17620 1 139 . 1 1 19 19 MET C C 13 175.419 0.1 . 1 . . . . 19 MET C . 17620 1 140 . 1 1 19 19 MET CA C 13 53.682 0.1 . 1 . . . . 19 MET CA . 17620 1 141 . 1 1 19 19 MET CB C 13 30.914 0.1 . 1 . . . . 19 MET CB . 17620 1 142 . 1 1 19 19 MET N N 15 119.633 0.1 . 1 . . . . 19 MET N . 17620 1 143 . 1 1 20 20 GLU H H 1 7.786 0.02 . 1 . . . . 20 GLU H . 17620 1 144 . 1 1 20 20 GLU HA H 1 4.676 0.02 . 1 . . . . 20 GLU HA . 17620 1 145 . 1 1 20 20 GLU CA C 13 57.777 0.1 . 1 . . . . 20 GLU CA . 17620 1 146 . 1 1 20 20 GLU N N 15 120.107 0.1 . 1 . . . . 20 GLU N . 17620 1 147 . 1 1 22 22 LYS H H 1 8.111 0.02 . 1 . . . . 22 LYS H . 17620 1 148 . 1 1 22 22 LYS HA H 1 4.583 0.02 . 1 . . . . 22 LYS HA . 17620 1 149 . 1 1 22 22 LYS HB2 H 1 1.773 0.02 . 2 . . . . 22 LYS HB . 17620 1 150 . 1 1 22 22 LYS HB3 H 1 1.773 0.02 . 2 . . . . 22 LYS HB . 17620 1 151 . 1 1 22 22 LYS C C 13 176.160 0.1 . 1 . . . . 22 LYS C . 17620 1 152 . 1 1 22 22 LYS CA C 13 58.262 0.1 . 1 . . . . 22 LYS CA . 17620 1 153 . 1 1 22 22 LYS CB C 13 33.775 0.1 . 1 . . . . 22 LYS CB . 17620 1 154 . 1 1 22 22 LYS CG C 13 24.733 0.1 . 1 . . . . 22 LYS CG . 17620 1 155 . 1 1 22 22 LYS N N 15 126.002 0.1 . 1 . . . . 22 LYS N . 17620 1 156 . 1 1 23 23 LEU H H 1 7.930 0.02 . 1 . . . . 23 LEU H . 17620 1 157 . 1 1 23 23 LEU HA H 1 4.952 0.02 . 1 . . . . 23 LEU HA . 17620 1 158 . 1 1 23 23 LEU HB2 H 1 1.556 0.02 . 2 . . . . 23 LEU HB . 17620 1 159 . 1 1 23 23 LEU HB3 H 1 1.556 0.02 . 2 . . . . 23 LEU HB . 17620 1 160 . 1 1 23 23 LEU HG H 1 1.743 0.02 . 1 . . . . 23 LEU HG . 17620 1 161 . 1 1 23 23 LEU HD11 H 1 0.906 0.02 . 2 . . . . 23 LEU HD . 17620 1 162 . 1 1 23 23 LEU HD12 H 1 0.906 0.02 . 2 . . . . 23 LEU HD . 17620 1 163 . 1 1 23 23 LEU HD13 H 1 0.906 0.02 . 2 . . . . 23 LEU HD . 17620 1 164 . 1 1 23 23 LEU HD21 H 1 0.906 0.02 . 2 . . . . 23 LEU HD . 17620 1 165 . 1 1 23 23 LEU HD22 H 1 0.906 0.02 . 2 . . . . 23 LEU HD . 17620 1 166 . 1 1 23 23 LEU HD23 H 1 0.906 0.02 . 2 . . . . 23 LEU HD . 17620 1 167 . 1 1 23 23 LEU C C 13 175.905 0.1 . 1 . . . . 23 LEU C . 17620 1 168 . 1 1 23 23 LEU CA C 13 55.049 0.1 . 1 . . . . 23 LEU CA . 17620 1 169 . 1 1 23 23 LEU CB C 13 42.958 0.1 . 1 . . . . 23 LEU CB . 17620 1 170 . 1 1 23 23 LEU CG C 13 28.070 0.1 . 1 . . . . 23 LEU CG . 17620 1 171 . 1 1 23 23 LEU CD1 C 13 24.869 0.1 . 2 . . . . 23 LEU CD1 . 17620 1 172 . 1 1 23 23 LEU CD2 C 13 25.210 0.1 . 2 . . . . 23 LEU CD2 . 17620 1 173 . 1 1 23 23 LEU N N 15 121.595 0.1 . 1 . . . . 23 LEU N . 17620 1 174 . 1 1 24 24 HIS H H 1 9.250 0.02 . 1 . . . . 24 HIS H . 17620 1 175 . 1 1 24 24 HIS HA H 1 4.460 0.02 . 1 . . . . 24 HIS HA . 17620 1 176 . 1 1 24 24 HIS HB2 H 1 3.294 0.02 . 2 . . . . 24 HIS HB2 . 17620 1 177 . 1 1 24 24 HIS HB3 H 1 2.796 0.02 . 2 . . . . 24 HIS HB3 . 17620 1 178 . 1 1 24 24 HIS C C 13 172.989 0.1 . 1 . . . . 24 HIS C . 17620 1 179 . 1 1 24 24 HIS CA C 13 55.805 0.1 . 1 . . . . 24 HIS CA . 17620 1 180 . 1 1 24 24 HIS CB C 13 32.330 0.1 . 1 . . . . 24 HIS CB . 17620 1 181 . 1 1 24 24 HIS N N 15 126.521 0.1 . 1 . . . . 24 HIS N . 17620 1 182 . 1 1 25 25 ALA H H 1 8.563 0.02 . 1 . . . . 25 ALA H . 17620 1 183 . 1 1 25 25 ALA HA H 1 5.297 0.02 . 1 . . . . 25 ALA HA . 17620 1 184 . 1 1 25 25 ALA HB1 H 1 1.240 0.02 . 1 . . . . 25 ALA HB . 17620 1 185 . 1 1 25 25 ALA HB2 H 1 1.240 0.02 . 1 . . . . 25 ALA HB . 17620 1 186 . 1 1 25 25 ALA HB3 H 1 1.240 0.02 . 1 . . . . 25 ALA HB . 17620 1 187 . 1 1 25 25 ALA C C 13 176.622 0.1 . 1 . . . . 25 ALA C . 17620 1 188 . 1 1 25 25 ALA CA C 13 50.829 0.1 . 1 . . . . 25 ALA CA . 17620 1 189 . 1 1 25 25 ALA CB C 13 18.955 0.1 . 1 . . . . 25 ALA CB . 17620 1 190 . 1 1 25 25 ALA N N 15 129.410 0.1 . 1 . . . . 25 ALA N . 17620 1 191 . 1 1 26 26 VAL H H 1 8.274 0.02 . 1 . . . . 26 VAL H . 17620 1 192 . 1 1 26 26 VAL HA H 1 4.759 0.02 . 1 . . . . 26 VAL HA . 17620 1 193 . 1 1 26 26 VAL HB H 1 1.848 0.02 . 1 . . . . 26 VAL HB . 17620 1 194 . 1 1 26 26 VAL HG11 H 1 0.835 0.02 . 2 . . . . 26 VAL HG1 . 17620 1 195 . 1 1 26 26 VAL HG12 H 1 0.835 0.02 . 2 . . . . 26 VAL HG1 . 17620 1 196 . 1 1 26 26 VAL HG13 H 1 0.835 0.02 . 2 . . . . 26 VAL HG1 . 17620 1 197 . 1 1 26 26 VAL HG21 H 1 0.722 0.02 . 2 . . . . 26 VAL HG2 . 17620 1 198 . 1 1 26 26 VAL HG22 H 1 0.722 0.02 . 2 . . . . 26 VAL HG2 . 17620 1 199 . 1 1 26 26 VAL HG23 H 1 0.722 0.02 . 2 . . . . 26 VAL HG2 . 17620 1 200 . 1 1 26 26 VAL CA C 13 58.188 0.1 . 1 . . . . 26 VAL CA . 17620 1 201 . 1 1 26 26 VAL CB C 13 35.233 0.1 . 1 . . . . 26 VAL CB . 17620 1 202 . 1 1 26 26 VAL CG1 C 13 21.467 0.1 . 2 . . . . 26 VAL CG1 . 17620 1 203 . 1 1 26 26 VAL CG2 C 13 20.296 0.1 . 2 . . . . 26 VAL CG2 . 17620 1 204 . 1 1 26 26 VAL N N 15 120.713 0.1 . 1 . . . . 26 VAL N . 17620 1 205 . 1 1 27 27 PRO HA H 1 4.527 0.02 . 1 . . . . 27 PRO HA . 17620 1 206 . 1 1 27 27 PRO HB2 H 1 2.193 0.02 . 2 . . . . 27 PRO HB2 . 17620 1 207 . 1 1 27 27 PRO HB3 H 1 1.672 0.02 . 2 . . . . 27 PRO HB3 . 17620 1 208 . 1 1 27 27 PRO HG2 H 1 1.792 0.02 . 2 . . . . 27 PRO HG2 . 17620 1 209 . 1 1 27 27 PRO HG3 H 1 1.981 0.02 . 2 . . . . 27 PRO HG3 . 17620 1 210 . 1 1 27 27 PRO HD2 H 1 3.030 0.02 . 2 . . . . 27 PRO HD2 . 17620 1 211 . 1 1 27 27 PRO HD3 H 1 3.105 0.02 . 2 . . . . 27 PRO HD3 . 17620 1 212 . 1 1 27 27 PRO CA C 13 62.705 0.1 . 1 . . . . 27 PRO CA . 17620 1 213 . 1 1 27 27 PRO CB C 13 31.834 0.1 . 1 . . . . 27 PRO CB . 17620 1 214 . 1 1 27 27 PRO CG C 13 27.750 0.1 . 1 . . . . 27 PRO CG . 17620 1 215 . 1 1 28 28 ALA H H 1 8.128 0.02 . 1 . . . . 28 ALA H . 17620 1 216 . 1 1 28 28 ALA HA H 1 3.813 0.02 . 1 . . . . 28 ALA HA . 17620 1 217 . 1 1 28 28 ALA HB1 H 1 1.283 0.02 . 1 . . . . 28 ALA HB . 17620 1 218 . 1 1 28 28 ALA HB2 H 1 1.283 0.02 . 1 . . . . 28 ALA HB . 17620 1 219 . 1 1 28 28 ALA HB3 H 1 1.283 0.02 . 1 . . . . 28 ALA HB . 17620 1 220 . 1 1 28 28 ALA C C 13 178.543 0.1 . 1 . . . . 28 ALA C . 17620 1 221 . 1 1 28 28 ALA CA C 13 53.530 0.1 . 1 . . . . 28 ALA CA . 17620 1 222 . 1 1 28 28 ALA CB C 13 17.605 0.1 . 1 . . . . 28 ALA CB . 17620 1 223 . 1 1 28 28 ALA N N 15 123.786 0.1 . 1 . . . . 28 ALA N . 17620 1 224 . 1 1 29 29 GLY H H 1 9.649 0.02 . 1 . . . . 29 GLY H . 17620 1 225 . 1 1 29 29 GLY HA2 H 1 4.426 0.02 . 2 . . . . 29 GLY HA2 . 17620 1 226 . 1 1 29 29 GLY HA3 H 1 3.517 0.02 . 2 . . . . 29 GLY HA3 . 17620 1 227 . 1 1 29 29 GLY C C 13 175.188 0.1 . 1 . . . . 29 GLY C . 17620 1 228 . 1 1 29 29 GLY CA C 13 44.964 0.1 . 1 . . . . 29 GLY CA . 17620 1 229 . 1 1 29 29 GLY N N 15 111.166 0.1 . 1 . . . . 29 GLY N . 17620 1 230 . 1 1 30 30 ASN H H 1 7.579 0.02 . 1 . . . . 30 ASN H . 17620 1 231 . 1 1 30 30 ASN HA H 1 4.694 0.02 . 1 . . . . 30 ASN HA . 17620 1 232 . 1 1 30 30 ASN HB2 H 1 2.797 0.02 . 2 . . . . 30 ASN HB2 . 17620 1 233 . 1 1 30 30 ASN HB3 H 1 2.577 0.02 . 2 . . . . 30 ASN HB3 . 17620 1 234 . 1 1 30 30 ASN C C 13 174.007 0.1 . 1 . . . . 30 ASN C . 17620 1 235 . 1 1 30 30 ASN CA C 13 53.226 0.1 . 1 . . . . 30 ASN CA . 17620 1 236 . 1 1 30 30 ASN CB C 13 39.622 0.1 . 1 . . . . 30 ASN CB . 17620 1 237 . 1 1 30 30 ASN N N 15 121.202 0.1 . 1 . . . . 30 ASN N . 17620 1 238 . 1 1 31 31 THR H H 1 8.535 0.02 . 1 . . . . 31 THR H . 17620 1 239 . 1 1 31 31 THR HA H 1 4.954 0.02 . 1 . . . . 31 THR HA . 17620 1 240 . 1 1 31 31 THR HB H 1 3.827 0.02 . 1 . . . . 31 THR HB . 17620 1 241 . 1 1 31 31 THR HG21 H 1 0.862 0.02 . 1 . . . . 31 THR HG2 . 17620 1 242 . 1 1 31 31 THR HG22 H 1 0.862 0.02 . 1 . . . . 31 THR HG2 . 17620 1 243 . 1 1 31 31 THR HG23 H 1 0.862 0.02 . 1 . . . . 31 THR HG2 . 17620 1 244 . 1 1 31 31 THR C C 13 174.054 0.1 . 1 . . . . 31 THR C . 17620 1 245 . 1 1 31 31 THR CA C 13 62.097 0.1 . 1 . . . . 31 THR CA . 17620 1 246 . 1 1 31 31 THR CB C 13 70.912 0.1 . 1 . . . . 31 THR CB . 17620 1 247 . 1 1 31 31 THR CG2 C 13 22.485 0.1 . 1 . . . . 31 THR CG2 . 17620 1 248 . 1 1 31 31 THR N N 15 115.980 0.1 . 1 . . . . 31 THR N . 17620 1 249 . 1 1 32 32 VAL H H 1 8.478 0.02 . 1 . . . . 32 VAL H . 17620 1 250 . 1 1 32 32 VAL HA H 1 4.142 0.02 . 1 . . . . 32 VAL HA . 17620 1 251 . 1 1 32 32 VAL HB H 1 1.267 0.02 . 1 . . . . 32 VAL HB . 17620 1 252 . 1 1 32 32 VAL HG11 H 1 0.336 0.02 . 2 . . . . 32 VAL HG1 . 17620 1 253 . 1 1 32 32 VAL HG12 H 1 0.336 0.02 . 2 . . . . 32 VAL HG1 . 17620 1 254 . 1 1 32 32 VAL HG13 H 1 0.336 0.02 . 2 . . . . 32 VAL HG1 . 17620 1 255 . 1 1 32 32 VAL HG21 H 1 0.109 0.02 . 2 . . . . 32 VAL HG2 . 17620 1 256 . 1 1 32 32 VAL HG22 H 1 0.109 0.02 . 2 . . . . 32 VAL HG2 . 17620 1 257 . 1 1 32 32 VAL HG23 H 1 0.109 0.02 . 2 . . . . 32 VAL HG2 . 17620 1 258 . 1 1 32 32 VAL C C 13 171.461 0.1 . 1 . . . . 32 VAL C . 17620 1 259 . 1 1 32 32 VAL CA C 13 60.235 0.1 . 1 . . . . 32 VAL CA . 17620 1 260 . 1 1 32 32 VAL CB C 13 35.305 0.1 . 1 . . . . 32 VAL CB . 17620 1 261 . 1 1 32 32 VAL CG1 C 13 22.420 0.1 . 2 . . . . 32 VAL CG1 . 17620 1 262 . 1 1 32 32 VAL CG2 C 13 20.953 0.1 . 2 . . . . 32 VAL CG2 . 17620 1 263 . 1 1 32 32 VAL N N 15 125.447 0.1 . 1 . . . . 32 VAL N . 17620 1 264 . 1 1 33 33 LYS H H 1 7.593 0.02 . 1 . . . . 33 LYS H . 17620 1 265 . 1 1 33 33 LYS HA H 1 4.719 0.02 . 1 . . . . 33 LYS HA . 17620 1 266 . 1 1 33 33 LYS HB2 H 1 1.293 0.02 . 2 . . . . 33 LYS HB . 17620 1 267 . 1 1 33 33 LYS HB3 H 1 1.293 0.02 . 2 . . . . 33 LYS HB . 17620 1 268 . 1 1 33 33 LYS HG2 H 1 0.947 0.02 . 2 . . . . 33 LYS HG . 17620 1 269 . 1 1 33 33 LYS HG3 H 1 0.947 0.02 . 2 . . . . 33 LYS HG . 17620 1 270 . 1 1 33 33 LYS C C 13 174.470 0.1 . 1 . . . . 33 LYS C . 17620 1 271 . 1 1 33 33 LYS CA C 13 54.106 0.1 . 1 . . . . 33 LYS CA . 17620 1 272 . 1 1 33 33 LYS CB C 13 34.947 0.1 . 1 . . . . 33 LYS CB . 17620 1 273 . 1 1 33 33 LYS CG C 13 29.841 0.1 . 1 . . . . 33 LYS CG . 17620 1 274 . 1 1 33 33 LYS N N 15 124.067 0.1 . 1 . . . . 33 LYS N . 17620 1 275 . 1 1 34 34 PHE H H 1 8.561 0.02 . 1 . . . . 34 PHE H . 17620 1 276 . 1 1 34 34 PHE HA H 1 4.546 0.02 . 1 . . . . 34 PHE HA . 17620 1 277 . 1 1 34 34 PHE HB2 H 1 2.747 0.02 . 2 . . . . 34 PHE HB2 . 17620 1 278 . 1 1 34 34 PHE HB3 H 1 2.291 0.02 . 2 . . . . 34 PHE HB3 . 17620 1 279 . 1 1 34 34 PHE C C 13 175.650 0.1 . 1 . . . . 34 PHE C . 17620 1 280 . 1 1 34 34 PHE CA C 13 54.015 0.1 . 1 . . . . 34 PHE CA . 17620 1 281 . 1 1 34 34 PHE CB C 13 42.561 0.1 . 1 . . . . 34 PHE CB . 17620 1 282 . 1 1 34 34 PHE N N 15 123.520 0.1 . 1 . . . . 34 PHE N . 17620 1 283 . 1 1 35 35 ARG H H 1 8.311 0.02 . 1 . . . . 35 ARG H . 17620 1 284 . 1 1 35 35 ARG HA H 1 5.335 0.02 . 1 . . . . 35 ARG HA . 17620 1 285 . 1 1 35 35 ARG HB2 H 1 1.626 0.02 . 2 . . . . 35 ARG HB . 17620 1 286 . 1 1 35 35 ARG HB3 H 1 1.626 0.02 . 2 . . . . 35 ARG HB . 17620 1 287 . 1 1 35 35 ARG C C 13 176.206 0.1 . 1 . . . . 35 ARG C . 17620 1 288 . 1 1 35 35 ARG CA C 13 55.229 0.1 . 1 . . . . 35 ARG CA . 17620 1 289 . 1 1 35 35 ARG CB C 13 33.888 0.1 . 1 . . . . 35 ARG CB . 17620 1 290 . 1 1 35 35 ARG CG C 13 40.939 0.1 . 1 . . . . 35 ARG CG . 17620 1 291 . 1 1 35 35 ARG N N 15 118.171 0.1 . 1 . . . . 35 ARG N . 17620 1 292 . 1 1 36 36 CYS H H 1 9.215 0.02 . 1 . . . . 36 CYS H . 17620 1 293 . 1 1 36 36 CYS HA H 1 4.577 0.02 . 1 . . . . 36 CYS HA . 17620 1 294 . 1 1 36 36 CYS HB2 H 1 3.441 0.02 . 2 . . . . 36 CYS HB . 17620 1 295 . 1 1 36 36 CYS HB3 H 1 3.441 0.02 . 2 . . . . 36 CYS HB . 17620 1 296 . 1 1 36 36 CYS CA C 13 53.651 0.1 . 1 . . . . 36 CYS CA . 17620 1 297 . 1 1 36 36 CYS CB C 13 47.327 0.1 . 1 . . . . 36 CYS CB . 17620 1 298 . 1 1 36 36 CYS N N 15 121.927 0.1 . 1 . . . . 36 CYS N . 17620 1 299 . 1 1 38 38 ALA HA H 1 5.003 0.02 . 1 . . . . 38 ALA HA . 17620 1 300 . 1 1 38 38 ALA HB1 H 1 0.525 0.02 . 1 . . . . 38 ALA HB . 17620 1 301 . 1 1 38 38 ALA HB2 H 1 0.525 0.02 . 1 . . . . 38 ALA HB . 17620 1 302 . 1 1 38 38 ALA HB3 H 1 0.525 0.02 . 1 . . . . 38 ALA HB . 17620 1 303 . 1 1 38 38 ALA CA C 13 50.435 0.1 . 1 . . . . 38 ALA CA . 17620 1 304 . 1 1 38 38 ALA CB C 13 24.666 0.1 . 1 . . . . 38 ALA CB . 17620 1 305 . 1 1 39 39 ALA H H 1 7.358 0.02 . 1 . . . . 39 ALA H . 17620 1 306 . 1 1 39 39 ALA HA H 1 4.183 0.02 . 1 . . . . 39 ALA HA . 17620 1 307 . 1 1 39 39 ALA HB1 H 1 0.773 0.02 . 1 . . . . 39 ALA HB . 17620 1 308 . 1 1 39 39 ALA HB2 H 1 0.773 0.02 . 1 . . . . 39 ALA HB . 17620 1 309 . 1 1 39 39 ALA HB3 H 1 0.773 0.02 . 1 . . . . 39 ALA HB . 17620 1 310 . 1 1 39 39 ALA C C 13 174.007 0.1 . 1 . . . . 39 ALA C . 17620 1 311 . 1 1 39 39 ALA CA C 13 50.580 0.1 . 1 . . . . 39 ALA CA . 17620 1 312 . 1 1 39 39 ALA CB C 13 22.136 0.1 . 1 . . . . 39 ALA CB . 17620 1 313 . 1 1 39 39 ALA N N 15 118.096 0.1 . 1 . . . . 39 ALA N . 17620 1 314 . 1 1 40 40 GLY H H 1 7.684 0.02 . 1 . . . . 40 GLY H . 17620 1 315 . 1 1 40 40 GLY HA2 H 1 3.474 0.02 . 2 . . . . 40 GLY HA . 17620 1 316 . 1 1 40 40 GLY HA3 H 1 3.474 0.02 . 2 . . . . 40 GLY HA . 17620 1 317 . 1 1 40 40 GLY C C 13 170.397 0.1 . 1 . . . . 40 GLY C . 17620 1 318 . 1 1 40 40 GLY CA C 13 44.974 0.1 . 1 . . . . 40 GLY CA . 17620 1 319 . 1 1 40 40 GLY N N 15 101.360 0.1 . 1 . . . . 40 GLY N . 17620 1 320 . 1 1 41 41 ASN H H 1 8.134 0.02 . 1 . . . . 41 ASN H . 17620 1 321 . 1 1 41 41 ASN HA H 1 4.908 0.02 . 1 . . . . 41 ASN HA . 17620 1 322 . 1 1 41 41 ASN HB2 H 1 2.861 0.02 . 2 . . . . 41 ASN HB2 . 17620 1 323 . 1 1 41 41 ASN HB3 H 1 2.697 0.02 . 2 . . . . 41 ASN HB3 . 17620 1 324 . 1 1 41 41 ASN CA C 13 50.910 0.1 . 1 . . . . 41 ASN CA . 17620 1 325 . 1 1 41 41 ASN CB C 13 41.250 0.1 . 1 . . . . 41 ASN CB . 17620 1 326 . 1 1 41 41 ASN N N 15 115.113 0.1 . 1 . . . . 41 ASN N . 17620 1 327 . 1 1 42 42 PRO HA H 1 4.883 0.02 . 1 . . . . 42 PRO HA . 17620 1 328 . 1 1 42 42 PRO HB2 H 1 2.587 0.02 . 2 . . . . 42 PRO HB2 . 17620 1 329 . 1 1 42 42 PRO HB3 H 1 2.050 0.02 . 2 . . . . 42 PRO HB3 . 17620 1 330 . 1 1 42 42 PRO HG2 H 1 1.874 0.02 . 2 . . . . 42 PRO HG2 . 17620 1 331 . 1 1 42 42 PRO HG3 H 1 1.991 0.02 . 2 . . . . 42 PRO HG3 . 17620 1 332 . 1 1 42 42 PRO HD2 H 1 3.822 0.02 . 2 . . . . 42 PRO HD . 17620 1 333 . 1 1 42 42 PRO HD3 H 1 3.822 0.02 . 2 . . . . 42 PRO HD . 17620 1 334 . 1 1 42 42 PRO CA C 13 63.083 0.1 . 1 . . . . 42 PRO CA . 17620 1 335 . 1 1 42 42 PRO CB C 13 34.748 0.1 . 1 . . . . 42 PRO CB . 17620 1 336 . 1 1 42 42 PRO CG C 13 26.432 0.1 . 1 . . . . 42 PRO CG . 17620 1 337 . 1 1 42 42 PRO CD C 13 50.408 0.1 . 1 . . . . 42 PRO CD . 17620 1 338 . 1 1 43 43 THR H H 1 8.793 0.02 . 1 . . . . 43 THR H . 17620 1 339 . 1 1 43 43 THR HA H 1 4.663 0.02 . 1 . . . . 43 THR HA . 17620 1 340 . 1 1 43 43 THR HB H 1 4.046 0.02 . 1 . . . . 43 THR HB . 17620 1 341 . 1 1 43 43 THR CA C 13 62.722 0.1 . 1 . . . . 43 THR CA . 17620 1 342 . 1 1 43 43 THR CB C 13 69.992 0.1 . 1 . . . . 43 THR CB . 17620 1 343 . 1 1 43 43 THR N N 15 120.281 0.1 . 1 . . . . 43 THR N . 17620 1 344 . 1 1 44 44 PRO HA H 1 4.719 0.02 . 1 . . . . 44 PRO HA . 17620 1 345 . 1 1 44 44 PRO CA C 13 62.601 0.1 . 1 . . . . 44 PRO CA . 17620 1 346 . 1 1 44 44 PRO CB C 13 34.020 0.1 . 1 . . . . 44 PRO CB . 17620 1 347 . 1 1 45 45 THR H H 1 8.804 0.02 . 1 . . . . 45 THR H . 17620 1 348 . 1 1 45 45 THR HA H 1 4.600 0.02 . 1 . . . . 45 THR HA . 17620 1 349 . 1 1 45 45 THR HB H 1 4.344 0.02 . 1 . . . . 45 THR HB . 17620 1 350 . 1 1 45 45 THR HG21 H 1 1.219 0.02 . 1 . . . . 45 THR HG2 . 17620 1 351 . 1 1 45 45 THR HG22 H 1 1.219 0.02 . 1 . . . . 45 THR HG2 . 17620 1 352 . 1 1 45 45 THR HG23 H 1 1.219 0.02 . 1 . . . . 45 THR HG2 . 17620 1 353 . 1 1 45 45 THR C C 13 173.683 0.1 . 1 . . . . 45 THR C . 17620 1 354 . 1 1 45 45 THR CA C 13 60.416 0.1 . 1 . . . . 45 THR CA . 17620 1 355 . 1 1 45 45 THR CB C 13 71.729 0.1 . 1 . . . . 45 THR CB . 17620 1 356 . 1 1 45 45 THR CG2 C 13 21.727 0.1 . 1 . . . . 45 THR CG2 . 17620 1 357 . 1 1 45 45 THR N N 15 108.671 0.1 . 1 . . . . 45 THR N . 17620 1 358 . 1 1 46 46 ILE H H 1 8.335 0.02 . 1 . . . . 46 ILE H . 17620 1 359 . 1 1 46 46 ILE HA H 1 4.406 0.02 . 1 . . . . 46 ILE HA . 17620 1 360 . 1 1 46 46 ILE HG21 H 1 0.579 0.02 . 1 . . . . 46 ILE HG2 . 17620 1 361 . 1 1 46 46 ILE HG22 H 1 0.579 0.02 . 1 . . . . 46 ILE HG2 . 17620 1 362 . 1 1 46 46 ILE HG23 H 1 0.579 0.02 . 1 . . . . 46 ILE HG2 . 17620 1 363 . 1 1 46 46 ILE HD11 H 1 -0.522 0.02 . 1 . . . . 46 ILE HD1 . 17620 1 364 . 1 1 46 46 ILE HD12 H 1 -0.522 0.02 . 1 . . . . 46 ILE HD1 . 17620 1 365 . 1 1 46 46 ILE HD13 H 1 -0.522 0.02 . 1 . . . . 46 ILE HD1 . 17620 1 366 . 1 1 46 46 ILE C C 13 173.105 0.1 . 1 . . . . 46 ILE C . 17620 1 367 . 1 1 46 46 ILE CA C 13 59.112 0.1 . 1 . . . . 46 ILE CA . 17620 1 368 . 1 1 46 46 ILE CB C 13 41.965 0.1 . 1 . . . . 46 ILE CB . 17620 1 369 . 1 1 46 46 ILE CG1 C 13 24.801 0.1 . 1 . . . . 46 ILE CG1 . 17620 1 370 . 1 1 46 46 ILE CG2 C 13 22.077 0.1 . 1 . . . . 46 ILE CG2 . 17620 1 371 . 1 1 46 46 ILE CD1 C 13 15.265 0.1 . 1 . . . . 46 ILE CD1 . 17620 1 372 . 1 1 46 46 ILE N N 15 116.894 0.1 . 1 . . . . 46 ILE N . 17620 1 373 . 1 1 47 47 ARG H H 1 8.411 0.02 . 1 . . . . 47 ARG H . 17620 1 374 . 1 1 47 47 ARG HA H 1 4.759 0.02 . 1 . . . . 47 ARG HA . 17620 1 375 . 1 1 47 47 ARG HB2 H 1 1.847 0.02 . 2 . . . . 47 ARG HB2 . 17620 1 376 . 1 1 47 47 ARG HB3 H 1 1.847 0.02 . 2 . . . . 47 ARG HB3 . 17620 1 377 . 1 1 47 47 ARG HG2 H 1 1.597 0.02 . 2 . . . . 47 ARG HG2 . 17620 1 378 . 1 1 47 47 ARG HG3 H 1 1.669 0.02 . 2 . . . . 47 ARG HG3 . 17620 1 379 . 1 1 47 47 ARG HD2 H 1 3.077 0.02 . 2 . . . . 47 ARG HD2 . 17620 1 380 . 1 1 47 47 ARG HD3 H 1 3.192 0.02 . 2 . . . . 47 ARG HD3 . 17620 1 381 . 1 1 47 47 ARG CA C 13 54.402 0.1 . 1 . . . . 47 ARG CA . 17620 1 382 . 1 1 47 47 ARG CB C 13 33.324 0.1 . 1 . . . . 47 ARG CB . 17620 1 383 . 1 1 47 47 ARG CG C 13 26.992 0.1 . 1 . . . . 47 ARG CG . 17620 1 384 . 1 1 47 47 ARG CD C 13 43.811 0.1 . 1 . . . . 47 ARG CD . 17620 1 385 . 1 1 47 47 ARG N N 15 125.353 0.1 . 1 . . . . 47 ARG N . 17620 1 386 . 1 1 48 48 TRP H H 1 8.950 0.02 . 1 . . . . 48 TRP H . 17620 1 387 . 1 1 48 48 TRP HA H 1 5.709 0.02 . 1 . . . . 48 TRP HA . 17620 1 388 . 1 1 48 48 TRP HB2 H 1 3.183 0.02 . 2 . . . . 48 TRP HB . 17620 1 389 . 1 1 48 48 TRP HB3 H 1 3.183 0.02 . 2 . . . . 48 TRP HB . 17620 1 390 . 1 1 48 48 TRP C C 13 176.252 0.1 . 1 . . . . 48 TRP C . 17620 1 391 . 1 1 48 48 TRP CA C 13 56.635 0.1 . 1 . . . . 48 TRP CA . 17620 1 392 . 1 1 48 48 TRP CB C 13 31.769 0.1 . 1 . . . . 48 TRP CB . 17620 1 393 . 1 1 48 48 TRP N N 15 118.967 0.1 . 1 . . . . 48 TRP N . 17620 1 394 . 1 1 49 49 LEU H H 1 9.636 0.02 . 1 . . . . 49 LEU H . 17620 1 395 . 1 1 49 49 LEU HA H 1 5.126 0.02 . 1 . . . . 49 LEU HA . 17620 1 396 . 1 1 49 49 LEU HB2 H 1 1.554 0.02 . 2 . . . . 49 LEU HB2 . 17620 1 397 . 1 1 49 49 LEU HB3 H 1 1.101 0.02 . 2 . . . . 49 LEU HB3 . 17620 1 398 . 1 1 49 49 LEU HG H 1 1.394 0.02 . 1 . . . . 49 LEU HG . 17620 1 399 . 1 1 49 49 LEU HD11 H 1 0.666 0.02 . 2 . . . . 49 LEU HD1 . 17620 1 400 . 1 1 49 49 LEU HD12 H 1 0.666 0.02 . 2 . . . . 49 LEU HD1 . 17620 1 401 . 1 1 49 49 LEU HD13 H 1 0.666 0.02 . 2 . . . . 49 LEU HD1 . 17620 1 402 . 1 1 49 49 LEU HD21 H 1 0.579 0.02 . 2 . . . . 49 LEU HD2 . 17620 1 403 . 1 1 49 49 LEU HD22 H 1 0.579 0.02 . 2 . . . . 49 LEU HD2 . 17620 1 404 . 1 1 49 49 LEU HD23 H 1 0.579 0.02 . 2 . . . . 49 LEU HD2 . 17620 1 405 . 1 1 49 49 LEU C C 13 175.998 0.1 . 1 . . . . 49 LEU C . 17620 1 406 . 1 1 49 49 LEU CA C 13 53.299 0.1 . 1 . . . . 49 LEU CA . 17620 1 407 . 1 1 49 49 LEU CB C 13 45.073 0.1 . 1 . . . . 49 LEU CB . 17620 1 408 . 1 1 49 49 LEU CG C 13 27.727 0.1 . 1 . . . . 49 LEU CG . 17620 1 409 . 1 1 49 49 LEU CD1 C 13 25.285 0.1 . 2 . . . . 49 LEU CD1 . 17620 1 410 . 1 1 49 49 LEU CD2 C 13 23.049 0.1 . 2 . . . . 49 LEU CD2 . 17620 1 411 . 1 1 49 49 LEU N N 15 121.537 0.1 . 1 . . . . 49 LEU N . 17620 1 412 . 1 1 50 50 LYS H H 1 8.972 0.02 . 1 . . . . 50 LYS H . 17620 1 413 . 1 1 50 50 LYS HA H 1 4.590 0.02 . 1 . . . . 50 LYS HA . 17620 1 414 . 1 1 50 50 LYS HB2 H 1 1.375 0.02 . 2 . . . . 50 LYS HB2 . 17620 1 415 . 1 1 50 50 LYS HB3 H 1 0.647 0.02 . 2 . . . . 50 LYS HB3 . 17620 1 416 . 1 1 50 50 LYS C C 13 177.155 0.1 . 1 . . . . 50 LYS C . 17620 1 417 . 1 1 50 50 LYS CA C 13 54.743 0.1 . 1 . . . . 50 LYS CA . 17620 1 418 . 1 1 50 50 LYS CB C 13 35.278 0.1 . 1 . . . . 50 LYS CB . 17620 1 419 . 1 1 50 50 LYS CG C 13 29.531 0.1 . 1 . . . . 50 LYS CG . 17620 1 420 . 1 1 50 50 LYS N N 15 120.330 0.1 . 1 . . . . 50 LYS N . 17620 1 421 . 1 1 51 51 ASP H H 1 9.796 0.02 . 1 . . . . 51 ASP H . 17620 1 422 . 1 1 51 51 ASP HA H 1 4.139 0.02 . 1 . . . . 51 ASP HA . 17620 1 423 . 1 1 51 51 ASP HB2 H 1 2.722 0.02 . 2 . . . . 51 ASP HB2 . 17620 1 424 . 1 1 51 51 ASP HB3 H 1 2.599 0.02 . 2 . . . . 51 ASP HB3 . 17620 1 425 . 1 1 51 51 ASP C C 13 176.576 0.1 . 1 . . . . 51 ASP C . 17620 1 426 . 1 1 51 51 ASP CA C 13 55.957 0.1 . 1 . . . . 51 ASP CA . 17620 1 427 . 1 1 51 51 ASP CB C 13 39.976 0.1 . 1 . . . . 51 ASP CB . 17620 1 428 . 1 1 51 51 ASP N N 15 130.067 0.1 . 1 . . . . 51 ASP N . 17620 1 429 . 1 1 52 52 GLY H H 1 8.434 0.02 . 1 . . . . 52 GLY H . 17620 1 430 . 1 1 52 52 GLY HA2 H 1 4.120 0.02 . 2 . . . . 52 GLY HA2 . 17620 1 431 . 1 1 52 52 GLY HA3 H 1 3.425 0.02 . 2 . . . . 52 GLY HA3 . 17620 1 432 . 1 1 52 52 GLY C C 13 173.753 0.1 . 1 . . . . 52 GLY C . 17620 1 433 . 1 1 52 52 GLY CA C 13 45.679 0.1 . 1 . . . . 52 GLY CA . 17620 1 434 . 1 1 52 52 GLY N N 15 101.011 0.1 . 1 . . . . 52 GLY N . 17620 1 435 . 1 1 53 53 GLN H H 1 7.797 0.02 . 1 . . . . 53 GLN H . 17620 1 436 . 1 1 53 53 GLN HA H 1 4.645 0.02 . 1 . . . . 53 GLN HA . 17620 1 437 . 1 1 53 53 GLN HB2 H 1 2.293 0.02 . 2 . . . . 53 GLN HB2 . 17620 1 438 . 1 1 53 53 GLN HB3 H 1 1.946 0.02 . 2 . . . . 53 GLN HB3 . 17620 1 439 . 1 1 53 53 GLN C C 13 175.072 0.1 . 1 . . . . 53 GLN C . 17620 1 440 . 1 1 53 53 GLN CA C 13 53.530 0.1 . 1 . . . . 53 GLN CA . 17620 1 441 . 1 1 53 53 GLN CB C 13 31.480 0.1 . 1 . . . . 53 GLN CB . 17620 1 442 . 1 1 53 53 GLN CG C 13 33.675 0.1 . 1 . . . . 53 GLN CG . 17620 1 443 . 1 1 53 53 GLN N N 15 119.199 0.1 . 1 . . . . 53 GLN N . 17620 1 444 . 1 1 54 54 ALA H H 1 8.766 0.02 . 1 . . . . 54 ALA H . 17620 1 445 . 1 1 54 54 ALA HA H 1 4.130 0.02 . 1 . . . . 54 ALA HA . 17620 1 446 . 1 1 54 54 ALA HB1 H 1 1.403 0.02 . 1 . . . . 54 ALA HB . 17620 1 447 . 1 1 54 54 ALA HB2 H 1 1.403 0.02 . 1 . . . . 54 ALA HB . 17620 1 448 . 1 1 54 54 ALA HB3 H 1 1.403 0.02 . 1 . . . . 54 ALA HB . 17620 1 449 . 1 1 54 54 ALA C C 13 177.340 0.1 . 1 . . . . 54 ALA C . 17620 1 450 . 1 1 54 54 ALA CA C 13 54.660 0.1 . 1 . . . . 54 ALA CA . 17620 1 451 . 1 1 54 54 ALA CB C 13 18.667 0.1 . 1 . . . . 54 ALA CB . 17620 1 452 . 1 1 54 54 ALA N N 15 125.078 0.1 . 1 . . . . 54 ALA N . 17620 1 453 . 1 1 55 55 PHE H H 1 8.362 0.02 . 1 . . . . 55 PHE H . 17620 1 454 . 1 1 55 55 PHE HA H 1 4.938 0.02 . 1 . . . . 55 PHE HA . 17620 1 455 . 1 1 55 55 PHE HB2 H 1 2.858 0.02 . 2 . . . . 55 PHE HB2 . 17620 1 456 . 1 1 55 55 PHE HB3 H 1 3.024 0.02 . 2 . . . . 55 PHE HB3 . 17620 1 457 . 1 1 55 55 PHE HD1 H 1 7.228 0.02 . 3 . . . . 55 PHE HD . 17620 1 458 . 1 1 55 55 PHE HD2 H 1 7.228 0.02 . 3 . . . . 55 PHE HD . 17620 1 459 . 1 1 55 55 PHE HE1 H 1 7.345 0.02 . 3 . . . . 55 PHE HE . 17620 1 460 . 1 1 55 55 PHE HE2 H 1 7.345 0.02 . 3 . . . . 55 PHE HE . 17620 1 461 . 1 1 55 55 PHE CA C 13 57.045 0.1 . 1 . . . . 55 PHE CA . 17620 1 462 . 1 1 55 55 PHE CB C 13 41.303 0.1 . 1 . . . . 55 PHE CB . 17620 1 463 . 1 1 55 55 PHE CD1 C 13 131.742 0.1 . 3 . . . . 55 PHE CD1 . 17620 1 464 . 1 1 55 55 PHE CE1 C 13 130.196 0.1 . 3 . . . . 55 PHE CE1 . 17620 1 465 . 1 1 55 55 PHE N N 15 123.307 0.1 . 1 . . . . 55 PHE N . 17620 1 466 . 1 1 57 57 GLY HA2 H 1 3.638 0.02 . 2 . . . . 57 GLY HA2 . 17620 1 467 . 1 1 57 57 GLY HA3 H 1 3.325 0.02 . 2 . . . . 57 GLY HA3 . 17620 1 468 . 1 1 57 57 GLY CA C 13 47.346 0.1 . 1 . . . . 57 GLY CA . 17620 1 469 . 1 1 58 58 GLU H H 1 9.205 0.02 . 1 . . . . 58 GLU H . 17620 1 470 . 1 1 58 58 GLU HA H 1 4.126 0.02 . 1 . . . . 58 GLU HA . 17620 1 471 . 1 1 58 58 GLU HB2 H 1 1.973 0.02 . 2 . . . . 58 GLU HB . 17620 1 472 . 1 1 58 58 GLU HB3 H 1 1.973 0.02 . 2 . . . . 58 GLU HB . 17620 1 473 . 1 1 58 58 GLU HG2 H 1 2.249 0.02 . 2 . . . . 58 GLU HG . 17620 1 474 . 1 1 58 58 GLU HG3 H 1 2.249 0.02 . 2 . . . . 58 GLU HG . 17620 1 475 . 1 1 58 58 GLU C C 13 173.082 0.1 . 1 . . . . 58 GLU C . 17620 1 476 . 1 1 58 58 GLU CA C 13 58.273 0.1 . 1 . . . . 58 GLU CA . 17620 1 477 . 1 1 58 58 GLU CB C 13 28.923 0.1 . 1 . . . . 58 GLU CB . 17620 1 478 . 1 1 58 58 GLU CG C 13 35.898 0.1 . 1 . . . . 58 GLU CG . 17620 1 479 . 1 1 58 58 GLU N N 15 119.410 0.1 . 1 . . . . 58 GLU N . 17620 1 480 . 1 1 59 59 ASN H H 1 8.010 0.02 . 1 . . . . 59 ASN H . 17620 1 481 . 1 1 59 59 ASN HA H 1 4.179 0.02 . 1 . . . . 59 ASN HA . 17620 1 482 . 1 1 59 59 ASN HB2 H 1 2.824 0.02 . 2 . . . . 59 ASN HB . 17620 1 483 . 1 1 59 59 ASN HB3 H 1 2.824 0.02 . 2 . . . . 59 ASN HB . 17620 1 484 . 1 1 59 59 ASN CA C 13 56.381 0.1 . 1 . . . . 59 ASN CA . 17620 1 485 . 1 1 59 59 ASN CB C 13 40.045 0.1 . 1 . . . . 59 ASN CB . 17620 1 486 . 1 1 59 59 ASN N N 15 121.901 0.1 . 1 . . . . 59 ASN N . 17620 1 487 . 1 1 61 61 ILE HA H 1 3.908 0.02 . 1 . . . . 61 ILE HA . 17620 1 488 . 1 1 61 61 ILE HB H 1 1.819 0.02 . 1 . . . . 61 ILE HB . 17620 1 489 . 1 1 61 61 ILE HG12 H 1 1.522 0.02 . 2 . . . . 61 ILE HG1 . 17620 1 490 . 1 1 61 61 ILE HG13 H 1 1.522 0.02 . 2 . . . . 61 ILE HG1 . 17620 1 491 . 1 1 61 61 ILE HG21 H 1 1.214 0.02 . 1 . . . . 61 ILE HG2 . 17620 1 492 . 1 1 61 61 ILE HG22 H 1 1.214 0.02 . 1 . . . . 61 ILE HG2 . 17620 1 493 . 1 1 61 61 ILE HG23 H 1 1.214 0.02 . 1 . . . . 61 ILE HG2 . 17620 1 494 . 1 1 61 61 ILE HD11 H 1 0.837 0.02 . 1 . . . . 61 ILE HD1 . 17620 1 495 . 1 1 61 61 ILE HD12 H 1 0.837 0.02 . 1 . . . . 61 ILE HD1 . 17620 1 496 . 1 1 61 61 ILE HD13 H 1 0.837 0.02 . 1 . . . . 61 ILE HD1 . 17620 1 497 . 1 1 61 61 ILE CA C 13 62.930 0.1 . 1 . . . . 61 ILE CA . 17620 1 498 . 1 1 61 61 ILE CB C 13 37.254 0.1 . 1 . . . . 61 ILE CB . 17620 1 499 . 1 1 61 61 ILE CG1 C 13 27.525 0.1 . 1 . . . . 61 ILE CG1 . 17620 1 500 . 1 1 61 61 ILE CG2 C 13 16.831 0.1 . 1 . . . . 61 ILE CG2 . 17620 1 501 . 1 1 61 61 ILE CD1 C 13 12.532 0.1 . 1 . . . . 61 ILE CD1 . 17620 1 502 . 1 1 62 62 GLY H H 1 8.575 0.02 . 1 . . . . 62 GLY H . 17620 1 503 . 1 1 62 62 GLY HA2 H 1 4.066 0.02 . 2 . . . . 62 GLY HA2 . 17620 1 504 . 1 1 62 62 GLY HA3 H 1 3.701 0.02 . 2 . . . . 62 GLY HA3 . 17620 1 505 . 1 1 62 62 GLY C C 13 175.188 0.1 . 1 . . . . 62 GLY C . 17620 1 506 . 1 1 62 62 GLY CA C 13 45.010 0.1 . 1 . . . . 62 GLY CA . 17620 1 507 . 1 1 62 62 GLY N N 15 113.490 0.1 . 1 . . . . 62 GLY N . 17620 1 508 . 1 1 63 63 GLY H H 1 8.005 0.02 . 1 . . . . 63 GLY H . 17620 1 509 . 1 1 63 63 GLY HA2 H 1 3.935 0.02 . 2 . . . . 63 GLY HA2 . 17620 1 510 . 1 1 63 63 GLY HA3 H 1 4.050 0.02 . 2 . . . . 63 GLY HA3 . 17620 1 511 . 1 1 63 63 GLY CA C 13 45.460 0.1 . 1 . . . . 63 GLY CA . 17620 1 512 . 1 1 63 63 GLY N N 15 107.761 0.1 . 1 . . . . 63 GLY N . 17620 1 513 . 1 1 68 68 HIS H H 1 8.604 0.02 . 1 . . . . 68 HIS H . 17620 1 514 . 1 1 68 68 HIS HA H 1 4.143 0.02 . 1 . . . . 68 HIS HA . 17620 1 515 . 1 1 68 68 HIS C C 13 175.812 0.1 . 1 . . . . 68 HIS C . 17620 1 516 . 1 1 68 68 HIS CA C 13 57.292 0.1 . 1 . . . . 68 HIS CA . 17620 1 517 . 1 1 68 68 HIS CB C 13 29.357 0.1 . 1 . . . . 68 HIS CB . 17620 1 518 . 1 1 68 68 HIS N N 15 121.758 0.1 . 1 . . . . 68 HIS N . 17620 1 519 . 1 1 69 69 GLN H H 1 9.726 0.02 . 1 . . . . 69 GLN H . 17620 1 520 . 1 1 69 69 GLN HA H 1 4.528 0.02 . 1 . . . . 69 GLN HA . 17620 1 521 . 1 1 69 69 GLN CA C 13 55.562 0.1 . 1 . . . . 69 GLN CA . 17620 1 522 . 1 1 69 69 GLN CB C 13 32.630 0.1 . 1 . . . . 69 GLN CB . 17620 1 523 . 1 1 69 69 GLN N N 15 121.449 0.1 . 1 . . . . 69 GLN N . 17620 1 524 . 1 1 72 72 SER H H 1 7.891 0.02 . 1 . . . . 72 SER H . 17620 1 525 . 1 1 72 72 SER HA H 1 5.893 0.02 . 1 . . . . 72 SER HA . 17620 1 526 . 1 1 72 72 SER HB2 H 1 3.560 0.02 . 2 . . . . 72 SER HB2 . 17620 1 527 . 1 1 72 72 SER HB3 H 1 3.639 0.02 . 2 . . . . 72 SER HB3 . 17620 1 528 . 1 1 72 72 SER C C 13 173.012 0.1 . 1 . . . . 72 SER C . 17620 1 529 . 1 1 72 72 SER CA C 13 57.352 0.1 . 1 . . . . 72 SER CA . 17620 1 530 . 1 1 72 72 SER CB C 13 67.917 0.1 . 1 . . . . 72 SER CB . 17620 1 531 . 1 1 72 72 SER N N 15 110.616 0.1 . 1 . . . . 72 SER N . 17620 1 532 . 1 1 73 73 LEU H H 1 8.570 0.02 . 1 . . . . 73 LEU H . 17620 1 533 . 1 1 73 73 LEU HA H 1 4.328 0.02 . 1 . . . . 73 LEU HA . 17620 1 534 . 1 1 73 73 LEU HB2 H 1 1.295 0.02 . 2 . . . . 73 LEU HB . 17620 1 535 . 1 1 73 73 LEU HB3 H 1 1.295 0.02 . 2 . . . . 73 LEU HB . 17620 1 536 . 1 1 73 73 LEU CA C 13 54.441 0.1 . 1 . . . . 73 LEU CA . 17620 1 537 . 1 1 73 73 LEU CB C 13 42.759 0.1 . 1 . . . . 73 LEU CB . 17620 1 538 . 1 1 73 73 LEU N N 15 126.656 0.1 . 1 . . . . 73 LEU N . 17620 1 539 . 1 1 74 74 VAL HA H 1 4.461 0.02 . 1 . . . . 74 VAL HA . 17620 1 540 . 1 1 74 74 VAL HB H 1 1.788 0.02 . 1 . . . . 74 VAL HB . 17620 1 541 . 1 1 74 74 VAL HG11 H 1 0.667 0.02 . 2 . . . . 74 VAL HG1 . 17620 1 542 . 1 1 74 74 VAL HG12 H 1 0.667 0.02 . 2 . . . . 74 VAL HG1 . 17620 1 543 . 1 1 74 74 VAL HG13 H 1 0.667 0.02 . 2 . . . . 74 VAL HG1 . 17620 1 544 . 1 1 74 74 VAL HG21 H 1 0.600 0.02 . 2 . . . . 74 VAL HG2 . 17620 1 545 . 1 1 74 74 VAL HG22 H 1 0.600 0.02 . 2 . . . . 74 VAL HG2 . 17620 1 546 . 1 1 74 74 VAL HG23 H 1 0.600 0.02 . 2 . . . . 74 VAL HG2 . 17620 1 547 . 1 1 74 74 VAL CA C 13 60.929 0.1 . 1 . . . . 74 VAL CA . 17620 1 548 . 1 1 74 74 VAL CB C 13 34.202 0.1 . 1 . . . . 74 VAL CB . 17620 1 549 . 1 1 74 74 VAL CG1 C 13 21.344 0.1 . 2 . . . . 74 VAL CG1 . 17620 1 550 . 1 1 74 74 VAL CG2 C 13 20.909 0.1 . 2 . . . . 74 VAL CG2 . 17620 1 551 . 1 1 75 75 MET H H 1 8.434 0.02 . 1 . . . . 75 MET H . 17620 1 552 . 1 1 75 75 MET HA H 1 4.521 0.02 . 1 . . . . 75 MET HA . 17620 1 553 . 1 1 75 75 MET HB2 H 1 1.416 0.02 . 2 . . . . 75 MET HB . 17620 1 554 . 1 1 75 75 MET HB3 H 1 1.416 0.02 . 2 . . . . 75 MET HB . 17620 1 555 . 1 1 75 75 MET HG2 H 1 3.017 0.02 . 2 . . . . 75 MET HG . 17620 1 556 . 1 1 75 75 MET HG3 H 1 3.017 0.02 . 2 . . . . 75 MET HG . 17620 1 557 . 1 1 75 75 MET C C 13 174.054 0.1 . 1 . . . . 75 MET C . 17620 1 558 . 1 1 75 75 MET CA C 13 54.500 0.1 . 1 . . . . 75 MET CA . 17620 1 559 . 1 1 75 75 MET CB C 13 35.212 0.1 . 1 . . . . 75 MET CB . 17620 1 560 . 1 1 75 75 MET CG C 13 31.336 0.1 . 1 . . . . 75 MET CG . 17620 1 561 . 1 1 75 75 MET N N 15 124.982 0.1 . 1 . . . . 75 MET N . 17620 1 562 . 1 1 76 76 GLU H H 1 8.521 0.02 . 1 . . . . 76 GLU H . 17620 1 563 . 1 1 76 76 GLU HA H 1 4.364 0.02 . 1 . . . . 76 GLU HA . 17620 1 564 . 1 1 76 76 GLU HB2 H 1 1.773 0.02 . 2 . . . . 76 GLU HB . 17620 1 565 . 1 1 76 76 GLU HB3 H 1 1.773 0.02 . 2 . . . . 76 GLU HB . 17620 1 566 . 1 1 76 76 GLU HG2 H 1 2.068 0.02 . 2 . . . . 76 GLU HG . 17620 1 567 . 1 1 76 76 GLU HG3 H 1 2.068 0.02 . 2 . . . . 76 GLU HG . 17620 1 568 . 1 1 76 76 GLU C C 13 176.854 0.1 . 1 . . . . 76 GLU C . 17620 1 569 . 1 1 76 76 GLU CA C 13 55.987 0.1 . 1 . . . . 76 GLU CA . 17620 1 570 . 1 1 76 76 GLU CB C 13 30.985 0.1 . 1 . . . . 76 GLU CB . 17620 1 571 . 1 1 76 76 GLU CG C 13 36.416 0.1 . 1 . . . . 76 GLU CG . 17620 1 572 . 1 1 76 76 GLU N N 15 121.916 0.1 . 1 . . . . 76 GLU N . 17620 1 573 . 1 1 77 77 SER H H 1 8.145 0.02 . 1 . . . . 77 SER H . 17620 1 574 . 1 1 77 77 SER HA H 1 3.495 0.02 . 1 . . . . 77 SER HA . 17620 1 575 . 1 1 77 77 SER HB2 H 1 3.918 0.02 . 2 . . . . 77 SER HB2 . 17620 1 576 . 1 1 77 77 SER HB3 H 1 3.606 0.02 . 2 . . . . 77 SER HB3 . 17620 1 577 . 1 1 77 77 SER C C 13 174.447 0.1 . 1 . . . . 77 SER C . 17620 1 578 . 1 1 77 77 SER CA C 13 57.536 0.1 . 1 . . . . 77 SER CA . 17620 1 579 . 1 1 77 77 SER CB C 13 61.785 0.1 . 1 . . . . 77 SER CB . 17620 1 580 . 1 1 77 77 SER N N 15 115.711 0.1 . 1 . . . . 77 SER N . 17620 1 581 . 1 1 78 78 VAL H H 1 8.304 0.02 . 1 . . . . 78 VAL H . 17620 1 582 . 1 1 78 78 VAL HA H 1 4.014 0.02 . 1 . . . . 78 VAL HA . 17620 1 583 . 1 1 78 78 VAL HB H 1 2.072 0.02 . 1 . . . . 78 VAL HB . 17620 1 584 . 1 1 78 78 VAL HG11 H 1 0.798 0.02 . 2 . . . . 78 VAL HG1 . 17620 1 585 . 1 1 78 78 VAL HG12 H 1 0.798 0.02 . 2 . . . . 78 VAL HG1 . 17620 1 586 . 1 1 78 78 VAL HG13 H 1 0.798 0.02 . 2 . . . . 78 VAL HG1 . 17620 1 587 . 1 1 78 78 VAL HG21 H 1 0.758 0.02 . 2 . . . . 78 VAL HG2 . 17620 1 588 . 1 1 78 78 VAL HG22 H 1 0.758 0.02 . 2 . . . . 78 VAL HG2 . 17620 1 589 . 1 1 78 78 VAL HG23 H 1 0.758 0.02 . 2 . . . . 78 VAL HG2 . 17620 1 590 . 1 1 78 78 VAL C C 13 176.715 0.1 . 1 . . . . 78 VAL C . 17620 1 591 . 1 1 78 78 VAL CA C 13 63.130 0.1 . 1 . . . . 78 VAL CA . 17620 1 592 . 1 1 78 78 VAL CB C 13 32.684 0.1 . 1 . . . . 78 VAL CB . 17620 1 593 . 1 1 78 78 VAL CG1 C 13 22.513 0.1 . 2 . . . . 78 VAL CG1 . 17620 1 594 . 1 1 78 78 VAL CG2 C 13 20.307 0.1 . 2 . . . . 78 VAL CG2 . 17620 1 595 . 1 1 78 78 VAL N N 15 115.090 0.1 . 1 . . . . 78 VAL N . 17620 1 596 . 1 1 79 79 VAL H H 1 9.101 0.02 . 1 . . . . 79 VAL H . 17620 1 597 . 1 1 79 79 VAL HA H 1 4.791 0.02 . 1 . . . . 79 VAL HA . 17620 1 598 . 1 1 79 79 VAL HB H 1 2.404 0.02 . 1 . . . . 79 VAL HB . 17620 1 599 . 1 1 79 79 VAL HG11 H 1 0.988 0.02 . 2 . . . . 79 VAL HG1 . 17620 1 600 . 1 1 79 79 VAL HG12 H 1 0.988 0.02 . 2 . . . . 79 VAL HG1 . 17620 1 601 . 1 1 79 79 VAL HG13 H 1 0.988 0.02 . 2 . . . . 79 VAL HG1 . 17620 1 602 . 1 1 79 79 VAL HG21 H 1 0.827 0.02 . 2 . . . . 79 VAL HG2 . 17620 1 603 . 1 1 79 79 VAL HG22 H 1 0.827 0.02 . 2 . . . . 79 VAL HG2 . 17620 1 604 . 1 1 79 79 VAL HG23 H 1 0.827 0.02 . 2 . . . . 79 VAL HG2 . 17620 1 605 . 1 1 79 79 VAL CA C 13 58.740 0.1 . 1 . . . . 79 VAL CA . 17620 1 606 . 1 1 79 79 VAL CB C 13 32.896 0.1 . 1 . . . . 79 VAL CB . 17620 1 607 . 1 1 79 79 VAL CG1 C 13 22.615 0.1 . 2 . . . . 79 VAL CG1 . 17620 1 608 . 1 1 79 79 VAL CG2 C 13 19.053 0.1 . 2 . . . . 79 VAL CG2 . 17620 1 609 . 1 1 79 79 VAL N N 15 116.645 0.1 . 1 . . . . 79 VAL N . 17620 1 610 . 1 1 80 80 PRO HA H 1 4.026 0.02 . 1 . . . . 80 PRO HA . 17620 1 611 . 1 1 80 80 PRO HB2 H 1 2.003 0.02 . 2 . . . . 80 PRO HB . 17620 1 612 . 1 1 80 80 PRO HB3 H 1 2.003 0.02 . 2 . . . . 80 PRO HB . 17620 1 613 . 1 1 80 80 PRO HG2 H 1 2.251 0.02 . 2 . . . . 80 PRO HG . 17620 1 614 . 1 1 80 80 PRO HG3 H 1 2.251 0.02 . 2 . . . . 80 PRO HG . 17620 1 615 . 1 1 80 80 PRO HD2 H 1 3.354 0.02 . 2 . . . . 80 PRO HD . 17620 1 616 . 1 1 80 80 PRO HD3 H 1 3.354 0.02 . 2 . . . . 80 PRO HD . 17620 1 617 . 1 1 80 80 PRO CA C 13 67.338 0.1 . 1 . . . . 80 PRO CA . 17620 1 618 . 1 1 80 80 PRO CB C 13 31.267 0.1 . 1 . . . . 80 PRO CB . 17620 1 619 . 1 1 80 80 PRO CG C 13 28.559 0.1 . 1 . . . . 80 PRO CG . 17620 1 620 . 1 1 80 80 PRO CD C 13 51.127 0.1 . 1 . . . . 80 PRO CD . 17620 1 621 . 1 1 81 81 SER H H 1 8.089 0.02 . 1 . . . . 81 SER H . 17620 1 622 . 1 1 81 81 SER HA H 1 4.296 0.02 . 1 . . . . 81 SER HA . 17620 1 623 . 1 1 81 81 SER HB2 H 1 4.132 0.02 . 2 . . . . 81 SER HB2 . 17620 1 624 . 1 1 81 81 SER HB3 H 1 3.877 0.02 . 2 . . . . 81 SER HB3 . 17620 1 625 . 1 1 81 81 SER C C 13 175.697 0.1 . 1 . . . . 81 SER C . 17620 1 626 . 1 1 81 81 SER CA C 13 60.481 0.1 . 1 . . . . 81 SER CA . 17620 1 627 . 1 1 81 81 SER CB C 13 62.589 0.1 . 1 . . . . 81 SER CB . 17620 1 628 . 1 1 81 81 SER N N 15 109.245 0.1 . 1 . . . . 81 SER N . 17620 1 629 . 1 1 82 82 ASP H H 1 8.716 0.02 . 1 . . . . 82 ASP H . 17620 1 630 . 1 1 82 82 ASP HA H 1 4.632 0.02 . 1 . . . . 82 ASP HA . 17620 1 631 . 1 1 82 82 ASP HB2 H 1 2.882 0.02 . 2 . . . . 82 ASP HB2 . 17620 1 632 . 1 1 82 82 ASP HB3 H 1 2.562 0.02 . 2 . . . . 82 ASP HB3 . 17620 1 633 . 1 1 82 82 ASP C C 13 177.270 0.1 . 1 . . . . 82 ASP C . 17620 1 634 . 1 1 82 82 ASP CA C 13 55.805 0.1 . 1 . . . . 82 ASP CA . 17620 1 635 . 1 1 82 82 ASP CB C 13 42.029 0.1 . 1 . . . . 82 ASP CB . 17620 1 636 . 1 1 82 82 ASP N N 15 119.716 0.1 . 1 . . . . 82 ASP N . 17620 1 637 . 1 1 83 83 ARG H H 1 7.763 0.02 . 1 . . . . 83 ARG H . 17620 1 638 . 1 1 83 83 ARG HA H 1 4.078 0.02 . 1 . . . . 83 ARG HA . 17620 1 639 . 1 1 83 83 ARG HB2 H 1 2.192 0.02 . 2 . . . . 83 ARG HB2 . 17620 1 640 . 1 1 83 83 ARG HB3 H 1 1.934 0.02 . 2 . . . . 83 ARG HB3 . 17620 1 641 . 1 1 83 83 ARG C C 13 174.933 0.1 . 1 . . . . 83 ARG C . 17620 1 642 . 1 1 83 83 ARG CA C 13 57.898 0.1 . 1 . . . . 83 ARG CA . 17620 1 643 . 1 1 83 83 ARG CB C 13 30.560 0.1 . 1 . . . . 83 ARG CB . 17620 1 644 . 1 1 83 83 ARG CG C 13 26.657 0.1 . 1 . . . . 83 ARG CG . 17620 1 645 . 1 1 83 83 ARG N N 15 120.362 0.1 . 1 . . . . 83 ARG N . 17620 1 646 . 1 1 84 84 GLY H H 1 8.465 0.02 . 1 . . . . 84 GLY H . 17620 1 647 . 1 1 84 84 GLY HA2 H 1 4.388 0.02 . 2 . . . . 84 GLY HA2 . 17620 1 648 . 1 1 84 84 GLY HA3 H 1 3.998 0.02 . 2 . . . . 84 GLY HA3 . 17620 1 649 . 1 1 84 84 GLY C C 13 171.762 0.1 . 1 . . . . 84 GLY C . 17620 1 650 . 1 1 84 84 GLY CA C 13 45.297 0.1 . 1 . . . . 84 GLY CA . 17620 1 651 . 1 1 84 84 GLY N N 15 108.389 0.1 . 1 . . . . 84 GLY N . 17620 1 652 . 1 1 85 85 THR H H 1 8.631 0.02 . 1 . . . . 85 THR H . 17620 1 653 . 1 1 85 85 THR HA H 1 4.998 0.02 . 1 . . . . 85 THR HA . 17620 1 654 . 1 1 85 85 THR HB H 1 3.907 0.02 . 1 . . . . 85 THR HB . 17620 1 655 . 1 1 85 85 THR HG21 H 1 0.946 0.02 . 1 . . . . 85 THR HG2 . 17620 1 656 . 1 1 85 85 THR HG22 H 1 0.946 0.02 . 1 . . . . 85 THR HG2 . 17620 1 657 . 1 1 85 85 THR HG23 H 1 0.946 0.02 . 1 . . . . 85 THR HG2 . 17620 1 658 . 1 1 85 85 THR C C 13 174.470 0.1 . 1 . . . . 85 THR C . 17620 1 659 . 1 1 85 85 THR CA C 13 62.051 0.1 . 1 . . . . 85 THR CA . 17620 1 660 . 1 1 85 85 THR CB C 13 69.829 0.1 . 1 . . . . 85 THR CB . 17620 1 661 . 1 1 85 85 THR CG2 C 13 21.243 0.1 . 1 . . . . 85 THR CG2 . 17620 1 662 . 1 1 85 85 THR N N 15 116.778 0.1 . 1 . . . . 85 THR N . 17620 1 663 . 1 1 86 86 TYR H H 1 9.797 0.02 . 1 . . . . 86 TYR H . 17620 1 664 . 1 1 86 86 TYR HA H 1 5.255 0.02 . 1 . . . . 86 TYR HA . 17620 1 665 . 1 1 86 86 TYR HB2 H 1 2.412 0.02 . 2 . . . . 86 TYR HB2 . 17620 1 666 . 1 1 86 86 TYR HB3 H 1 2.601 0.02 . 2 . . . . 86 TYR HB3 . 17620 1 667 . 1 1 86 86 TYR HD1 H 1 6.618 0.02 . 3 . . . . 86 TYR HD . 17620 1 668 . 1 1 86 86 TYR HD2 H 1 6.618 0.02 . 3 . . . . 86 TYR HD . 17620 1 669 . 1 1 86 86 TYR C C 13 174.979 0.1 . 1 . . . . 86 TYR C . 17620 1 670 . 1 1 86 86 TYR CA C 13 57.397 0.1 . 1 . . . . 86 TYR CA . 17620 1 671 . 1 1 86 86 TYR CB C 13 40.310 0.1 . 1 . . . . 86 TYR CB . 17620 1 672 . 1 1 86 86 TYR N N 15 130.267 0.1 . 1 . . . . 86 TYR N . 17620 1 673 . 1 1 87 87 THR H H 1 9.223 0.02 . 1 . . . . 87 THR H . 17620 1 674 . 1 1 87 87 THR HA H 1 5.728 0.02 . 1 . . . . 87 THR HA . 17620 1 675 . 1 1 87 87 THR HB H 1 3.604 0.02 . 1 . . . . 87 THR HB . 17620 1 676 . 1 1 87 87 THR HG21 H 1 1.006 0.02 . 1 . . . . 87 THR HG2 . 17620 1 677 . 1 1 87 87 THR HG22 H 1 1.006 0.02 . 1 . . . . 87 THR HG2 . 17620 1 678 . 1 1 87 87 THR HG23 H 1 1.006 0.02 . 1 . . . . 87 THR HG2 . 17620 1 679 . 1 1 87 87 THR C C 13 174.308 0.1 . 1 . . . . 87 THR C . 17620 1 680 . 1 1 87 87 THR CA C 13 60.529 0.1 . 1 . . . . 87 THR CA . 17620 1 681 . 1 1 87 87 THR CB C 13 72.824 0.1 . 1 . . . . 87 THR CB . 17620 1 682 . 1 1 87 87 THR CG2 C 13 21.243 0.1 . 1 . . . . 87 THR CG2 . 17620 1 683 . 1 1 87 87 THR N N 15 120.485 0.1 . 1 . . . . 87 THR N . 17620 1 684 . 1 1 88 88 CYS H H 1 8.889 0.02 . 1 . . . . 88 CYS H . 17620 1 685 . 1 1 88 88 CYS HA H 1 4.431 0.02 . 1 . . . . 88 CYS HA . 17620 1 686 . 1 1 88 88 CYS HB2 H 1 2.494 0.02 . 2 . . . . 88 CYS HB2 . 17620 1 687 . 1 1 88 88 CYS HB3 H 1 1.256 0.02 . 2 . . . . 88 CYS HB3 . 17620 1 688 . 1 1 88 88 CYS C C 13 171.924 0.1 . 1 . . . . 88 CYS C . 17620 1 689 . 1 1 88 88 CYS CA C 13 53.150 0.1 . 1 . . . . 88 CYS CA . 17620 1 690 . 1 1 88 88 CYS CB C 13 43.020 0.1 . 1 . . . . 88 CYS CB . 17620 1 691 . 1 1 88 88 CYS N N 15 122.035 0.1 . 1 . . . . 88 CYS N . 17620 1 692 . 1 1 89 89 LEU H H 1 8.880 0.02 . 1 . . . . 89 LEU H . 17620 1 693 . 1 1 89 89 LEU HA H 1 4.645 0.02 . 1 . . . . 89 LEU HA . 17620 1 694 . 1 1 89 89 LEU HB2 H 1 1.391 0.02 . 2 . . . . 89 LEU HB2 . 17620 1 695 . 1 1 89 89 LEU HB3 H 1 1.009 0.02 . 2 . . . . 89 LEU HB3 . 17620 1 696 . 1 1 89 89 LEU C C 13 175.234 0.1 . 1 . . . . 89 LEU C . 17620 1 697 . 1 1 89 89 LEU CA C 13 54.150 0.1 . 1 . . . . 89 LEU CA . 17620 1 698 . 1 1 89 89 LEU CB C 13 43.728 0.1 . 1 . . . . 89 LEU CB . 17620 1 699 . 1 1 89 89 LEU CG C 13 27.326 0.1 . 1 . . . . 89 LEU CG . 17620 1 700 . 1 1 89 89 LEU CD1 C 13 24.786 0.1 . 2 . . . . 89 LEU CD1 . 17620 1 701 . 1 1 89 89 LEU CD2 C 13 24.251 0.1 . 2 . . . . 89 LEU CD2 . 17620 1 702 . 1 1 89 89 LEU N N 15 125.955 0.1 . 1 . . . . 89 LEU N . 17620 1 703 . 1 1 90 90 VAL H H 1 8.909 0.02 . 1 . . . . 90 VAL H . 17620 1 704 . 1 1 90 90 VAL HA H 1 5.236 0.02 . 1 . . . . 90 VAL HA . 17620 1 705 . 1 1 90 90 VAL HB H 1 1.727 0.02 . 1 . . . . 90 VAL HB . 17620 1 706 . 1 1 90 90 VAL HG11 H 1 1.000 0.02 . 2 . . . . 90 VAL HG1 . 17620 1 707 . 1 1 90 90 VAL HG12 H 1 1.000 0.02 . 2 . . . . 90 VAL HG1 . 17620 1 708 . 1 1 90 90 VAL HG13 H 1 1.000 0.02 . 2 . . . . 90 VAL HG1 . 17620 1 709 . 1 1 90 90 VAL HG21 H 1 0.563 0.02 . 2 . . . . 90 VAL HG2 . 17620 1 710 . 1 1 90 90 VAL HG22 H 1 0.563 0.02 . 2 . . . . 90 VAL HG2 . 17620 1 711 . 1 1 90 90 VAL HG23 H 1 0.563 0.02 . 2 . . . . 90 VAL HG2 . 17620 1 712 . 1 1 90 90 VAL C C 13 175.512 0.1 . 1 . . . . 90 VAL C . 17620 1 713 . 1 1 90 90 VAL CA C 13 61.628 0.1 . 1 . . . . 90 VAL CA . 17620 1 714 . 1 1 90 90 VAL CB C 13 32.967 0.1 . 1 . . . . 90 VAL CB . 17620 1 715 . 1 1 90 90 VAL CG1 C 13 20.777 0.1 . 2 . . . . 90 VAL CG1 . 17620 1 716 . 1 1 90 90 VAL CG2 C 13 22.535 0.1 . 2 . . . . 90 VAL CG2 . 17620 1 717 . 1 1 90 90 VAL N N 15 129.676 0.1 . 1 . . . . 90 VAL N . 17620 1 718 . 1 1 91 91 GLU H H 1 8.202 0.02 . 1 . . . . 91 GLU H . 17620 1 719 . 1 1 91 91 GLU HA H 1 5.132 0.02 . 1 . . . . 91 GLU HA . 17620 1 720 . 1 1 91 91 GLU HB2 H 1 1.784 0.02 . 2 . . . . 91 GLU HB2 . 17620 1 721 . 1 1 91 91 GLU HB3 H 1 1.894 0.02 . 2 . . . . 91 GLU HB3 . 17620 1 722 . 1 1 91 91 GLU HG2 H 1 2.033 0.02 . 2 . . . . 91 GLU HG2 . 17620 1 723 . 1 1 91 91 GLU HG3 H 1 1.948 0.02 . 2 . . . . 91 GLU HG3 . 17620 1 724 . 1 1 91 91 GLU C C 13 175.049 0.1 . 1 . . . . 91 GLU C . 17620 1 725 . 1 1 91 91 GLU CA C 13 55.215 0.1 . 1 . . . . 91 GLU CA . 17620 1 726 . 1 1 91 91 GLU CB C 13 35.543 0.1 . 1 . . . . 91 GLU CB . 17620 1 727 . 1 1 91 91 GLU CG C 13 36.570 0.1 . 1 . . . . 91 GLU CG . 17620 1 728 . 1 1 91 91 GLU N N 15 123.105 0.1 . 1 . . . . 91 GLU N . 17620 1 729 . 1 1 92 92 ASN H H 1 8.872 0.02 . 1 . . . . 92 ASN H . 17620 1 730 . 1 1 92 92 ASN HA H 1 4.702 0.02 . 1 . . . . 92 ASN HA . 17620 1 731 . 1 1 92 92 ASN HB2 H 1 2.545 0.02 . 2 . . . . 92 ASN HB2 . 17620 1 732 . 1 1 92 92 ASN HB3 H 1 3.025 0.02 . 2 . . . . 92 ASN HB3 . 17620 1 733 . 1 1 92 92 ASN C C 13 176.252 0.1 . 1 . . . . 92 ASN C . 17620 1 734 . 1 1 92 92 ASN CA C 13 52.003 0.1 . 1 . . . . 92 ASN CA . 17620 1 735 . 1 1 92 92 ASN CB C 13 41.516 0.1 . 1 . . . . 92 ASN CB . 17620 1 736 . 1 1 92 92 ASN N N 15 118.869 0.1 . 1 . . . . 92 ASN N . 17620 1 737 . 1 1 93 93 ALA H H 1 8.089 0.02 . 1 . . . . 93 ALA H . 17620 1 738 . 1 1 93 93 ALA HA H 1 3.996 0.02 . 1 . . . . 93 ALA HA . 17620 1 739 . 1 1 93 93 ALA HB1 H 1 1.320 0.02 . 1 . . . . 93 ALA HB . 17620 1 740 . 1 1 93 93 ALA HB2 H 1 1.320 0.02 . 1 . . . . 93 ALA HB . 17620 1 741 . 1 1 93 93 ALA HB3 H 1 1.320 0.02 . 1 . . . . 93 ALA HB . 17620 1 742 . 1 1 93 93 ALA C C 13 178.266 0.1 . 1 . . . . 93 ALA C . 17620 1 743 . 1 1 93 93 ALA CA C 13 54.644 0.1 . 1 . . . . 93 ALA CA . 17620 1 744 . 1 1 93 93 ALA CB C 13 19.588 0.1 . 1 . . . . 93 ALA CB . 17620 1 745 . 1 1 93 93 ALA N N 15 115.943 0.1 . 1 . . . . 93 ALA N . 17620 1 746 . 1 1 94 94 VAL H H 1 7.550 0.02 . 1 . . . . 94 VAL H . 17620 1 747 . 1 1 94 94 VAL HA H 1 4.110 0.02 . 1 . . . . 94 VAL HA . 17620 1 748 . 1 1 94 94 VAL HB H 1 2.080 0.02 . 1 . . . . 94 VAL HB . 17620 1 749 . 1 1 94 94 VAL HG11 H 1 0.884 0.02 . 2 . . . . 94 VAL HG1 . 17620 1 750 . 1 1 94 94 VAL HG12 H 1 0.884 0.02 . 2 . . . . 94 VAL HG1 . 17620 1 751 . 1 1 94 94 VAL HG13 H 1 0.884 0.02 . 2 . . . . 94 VAL HG1 . 17620 1 752 . 1 1 94 94 VAL HG21 H 1 0.716 0.02 . 2 . . . . 94 VAL HG2 . 17620 1 753 . 1 1 94 94 VAL HG22 H 1 0.716 0.02 . 2 . . . . 94 VAL HG2 . 17620 1 754 . 1 1 94 94 VAL HG23 H 1 0.716 0.02 . 2 . . . . 94 VAL HG2 . 17620 1 755 . 1 1 94 94 VAL C C 13 176.599 0.1 . 1 . . . . 94 VAL C . 17620 1 756 . 1 1 94 94 VAL CA C 13 62.100 0.1 . 1 . . . . 94 VAL CA . 17620 1 757 . 1 1 94 94 VAL CB C 13 32.836 0.1 . 1 . . . . 94 VAL CB . 17620 1 758 . 1 1 94 94 VAL CG1 C 13 22.179 0.1 . 2 . . . . 94 VAL CG1 . 17620 1 759 . 1 1 94 94 VAL CG2 C 13 20.976 0.1 . 2 . . . . 94 VAL CG2 . 17620 1 760 . 1 1 94 94 VAL N N 15 111.359 0.1 . 1 . . . . 94 VAL N . 17620 1 761 . 1 1 95 95 GLY H H 1 7.701 0.02 . 1 . . . . 95 GLY H . 17620 1 762 . 1 1 95 95 GLY HA2 H 1 4.123 0.02 . 2 . . . . 95 GLY HA . 17620 1 763 . 1 1 95 95 GLY HA3 H 1 4.123 0.02 . 2 . . . . 95 GLY HA . 17620 1 764 . 1 1 95 95 GLY C C 13 170.119 0.1 . 1 . . . . 95 GLY C . 17620 1 765 . 1 1 95 95 GLY CA C 13 46.381 0.1 . 1 . . . . 95 GLY CA . 17620 1 766 . 1 1 95 95 GLY N N 15 106.542 0.1 . 1 . . . . 95 GLY N . 17620 1 767 . 1 1 96 96 SER H H 1 8.105 0.02 . 1 . . . . 96 SER H . 17620 1 768 . 1 1 96 96 SER HA H 1 5.400 0.02 . 1 . . . . 96 SER HA . 17620 1 769 . 1 1 96 96 SER HB2 H 1 3.643 0.02 . 2 . . . . 96 SER HB2 . 17620 1 770 . 1 1 96 96 SER HB3 H 1 3.734 0.02 . 2 . . . . 96 SER HB3 . 17620 1 771 . 1 1 96 96 SER C C 13 173.267 0.1 . 1 . . . . 96 SER C . 17620 1 772 . 1 1 96 96 SER CA C 13 56.635 0.1 . 1 . . . . 96 SER CA . 17620 1 773 . 1 1 96 96 SER CB C 13 66.877 0.1 . 1 . . . . 96 SER CB . 17620 1 774 . 1 1 96 96 SER N N 15 111.183 0.1 . 1 . . . . 96 SER N . 17620 1 775 . 1 1 97 97 ILE H H 1 8.988 0.02 . 1 . . . . 97 ILE H . 17620 1 776 . 1 1 97 97 ILE HA H 1 4.564 0.02 . 1 . . . . 97 ILE HA . 17620 1 777 . 1 1 97 97 ILE HB H 1 1.507 0.02 . 1 . . . . 97 ILE HB . 17620 1 778 . 1 1 97 97 ILE HG12 H 1 0.664 0.02 . 2 . . . . 97 ILE HG1 . 17620 1 779 . 1 1 97 97 ILE HG13 H 1 0.664 0.02 . 2 . . . . 97 ILE HG1 . 17620 1 780 . 1 1 97 97 ILE HG21 H 1 0.373 0.02 . 1 . . . . 97 ILE HG2 . 17620 1 781 . 1 1 97 97 ILE HG22 H 1 0.373 0.02 . 1 . . . . 97 ILE HG2 . 17620 1 782 . 1 1 97 97 ILE HG23 H 1 0.373 0.02 . 1 . . . . 97 ILE HG2 . 17620 1 783 . 1 1 97 97 ILE HD11 H 1 -1.070 0.02 . 1 . . . . 97 ILE HD1 . 17620 1 784 . 1 1 97 97 ILE HD12 H 1 -1.070 0.02 . 1 . . . . 97 ILE HD1 . 17620 1 785 . 1 1 97 97 ILE HD13 H 1 -1.070 0.02 . 1 . . . . 97 ILE HD1 . 17620 1 786 . 1 1 97 97 ILE C C 13 173.174 0.1 . 1 . . . . 97 ILE C . 17620 1 787 . 1 1 97 97 ILE CA C 13 61.054 0.1 . 1 . . . . 97 ILE CA . 17620 1 788 . 1 1 97 97 ILE CB C 13 42.097 0.1 . 1 . . . . 97 ILE CB . 17620 1 789 . 1 1 97 97 ILE CG1 C 13 25.922 0.1 . 1 . . . . 97 ILE CG1 . 17620 1 790 . 1 1 97 97 ILE CG2 C 13 17.366 0.1 . 1 . . . . 97 ILE CG2 . 17620 1 791 . 1 1 97 97 ILE CD1 C 13 10.014 0.1 . 1 . . . . 97 ILE CD1 . 17620 1 792 . 1 1 97 97 ILE N N 15 118.423 0.1 . 1 . . . . 97 ILE N . 17620 1 793 . 1 1 98 98 ARG H H 1 8.308 0.02 . 1 . . . . 98 ARG H . 17620 1 794 . 1 1 98 98 ARG HA H 1 5.820 0.02 . 1 . . . . 98 ARG HA . 17620 1 795 . 1 1 98 98 ARG HB2 H 1 1.758 0.02 . 2 . . . . 98 ARG HB2 . 17620 1 796 . 1 1 98 98 ARG HB3 H 1 1.526 0.02 . 2 . . . . 98 ARG HB3 . 17620 1 797 . 1 1 98 98 ARG HG2 H 1 1.365 0.02 . 2 . . . . 98 ARG HG . 17620 1 798 . 1 1 98 98 ARG HG3 H 1 1.365 0.02 . 2 . . . . 98 ARG HG . 17620 1 799 . 1 1 98 98 ARG HD2 H 1 2.932 0.02 . 2 . . . . 98 ARG HD2 . 17620 1 800 . 1 1 98 98 ARG HD3 H 1 3.065 0.02 . 2 . . . . 98 ARG HD3 . 17620 1 801 . 1 1 98 98 ARG C C 13 175.026 0.1 . 1 . . . . 98 ARG C . 17620 1 802 . 1 1 98 98 ARG CA C 13 54.418 0.1 . 1 . . . . 98 ARG CA . 17620 1 803 . 1 1 98 98 ARG CB C 13 35.091 0.1 . 1 . . . . 98 ARG CB . 17620 1 804 . 1 1 98 98 ARG CG C 13 25.693 0.1 . 1 . . . . 98 ARG CG . 17620 1 805 . 1 1 98 98 ARG CD C 13 43.967 0.1 . 1 . . . . 98 ARG CD . 17620 1 806 . 1 1 98 98 ARG N N 15 116.861 0.1 . 1 . . . . 98 ARG N . 17620 1 807 . 1 1 99 99 TYR H H 1 8.286 0.02 . 1 . . . . 99 TYR H . 17620 1 808 . 1 1 99 99 TYR HA H 1 4.430 0.02 . 1 . . . . 99 TYR HA . 17620 1 809 . 1 1 99 99 TYR HB2 H 1 2.522 0.02 . 2 . . . . 99 TYR HB2 . 17620 1 810 . 1 1 99 99 TYR HB3 H 1 2.613 0.02 . 2 . . . . 99 TYR HB3 . 17620 1 811 . 1 1 99 99 TYR C C 13 172.572 0.1 . 1 . . . . 99 TYR C . 17620 1 812 . 1 1 99 99 TYR CA C 13 58.512 0.1 . 1 . . . . 99 TYR CA . 17620 1 813 . 1 1 99 99 TYR CB C 13 44.860 0.1 . 1 . . . . 99 TYR CB . 17620 1 814 . 1 1 99 99 TYR N N 15 123.271 0.1 . 1 . . . . 99 TYR N . 17620 1 815 . 1 1 100 100 ASN H H 1 6.953 0.02 . 1 . . . . 100 ASN H . 17620 1 816 . 1 1 100 100 ASN HA H 1 5.399 0.02 . 1 . . . . 100 ASN HA . 17620 1 817 . 1 1 100 100 ASN HB2 H 1 2.358 0.02 . 2 . . . . 100 ASN HB2 . 17620 1 818 . 1 1 100 100 ASN HB3 H 1 2.064 0.02 . 2 . . . . 100 ASN HB3 . 17620 1 819 . 1 1 100 100 ASN C C 13 173.290 0.1 . 1 . . . . 100 ASN C . 17620 1 820 . 1 1 100 100 ASN CA C 13 51.782 0.1 . 1 . . . . 100 ASN CA . 17620 1 821 . 1 1 100 100 ASN CB C 13 41.501 0.1 . 1 . . . . 100 ASN CB . 17620 1 822 . 1 1 100 100 ASN N N 15 120.286 0.1 . 1 . . . . 100 ASN N . 17620 1 823 . 1 1 101 101 TYR H H 1 9.412 0.02 . 1 . . . . 101 TYR H . 17620 1 824 . 1 1 101 101 TYR HA H 1 4.946 0.02 . 1 . . . . 101 TYR HA . 17620 1 825 . 1 1 101 101 TYR HB2 H 1 2.400 0.02 . 2 . . . . 101 TYR HB2 . 17620 1 826 . 1 1 101 101 TYR HB3 H 1 2.049 0.02 . 2 . . . . 101 TYR HB3 . 17620 1 827 . 1 1 101 101 TYR HD1 H 1 7.238 0.02 . 3 . . . . 101 TYR HD . 17620 1 828 . 1 1 101 101 TYR HD2 H 1 7.238 0.02 . 3 . . . . 101 TYR HD . 17620 1 829 . 1 1 101 101 TYR C C 13 174.817 0.1 . 1 . . . . 101 TYR C . 17620 1 830 . 1 1 101 101 TYR CA C 13 57.575 0.1 . 1 . . . . 101 TYR CA . 17620 1 831 . 1 1 101 101 TYR CB C 13 42.099 0.1 . 1 . . . . 101 TYR CB . 17620 1 832 . 1 1 101 101 TYR N N 15 120.103 0.1 . 1 . . . . 101 TYR N . 17620 1 833 . 1 1 102 102 LEU H H 1 8.891 0.02 . 1 . . . . 102 LEU H . 17620 1 834 . 1 1 102 102 LEU HA H 1 5.036 0.02 . 1 . . . . 102 LEU HA . 17620 1 835 . 1 1 102 102 LEU HB2 H 1 1.734 0.02 . 2 . . . . 102 LEU HB2 . 17620 1 836 . 1 1 102 102 LEU HB3 H 1 1.585 0.02 . 2 . . . . 102 LEU HB3 . 17620 1 837 . 1 1 102 102 LEU HG H 1 1.545 0.02 . 1 . . . . 102 LEU HG . 17620 1 838 . 1 1 102 102 LEU HD11 H 1 0.817 0.02 . 2 . . . . 102 LEU HD . 17620 1 839 . 1 1 102 102 LEU HD12 H 1 0.817 0.02 . 2 . . . . 102 LEU HD . 17620 1 840 . 1 1 102 102 LEU HD13 H 1 0.817 0.02 . 2 . . . . 102 LEU HD . 17620 1 841 . 1 1 102 102 LEU HD21 H 1 0.817 0.02 . 2 . . . . 102 LEU HD . 17620 1 842 . 1 1 102 102 LEU HD22 H 1 0.817 0.02 . 2 . . . . 102 LEU HD . 17620 1 843 . 1 1 102 102 LEU HD23 H 1 0.817 0.02 . 2 . . . . 102 LEU HD . 17620 1 844 . 1 1 102 102 LEU C C 13 174.956 0.1 . 1 . . . . 102 LEU C . 17620 1 845 . 1 1 102 102 LEU CA C 13 54.750 0.1 . 1 . . . . 102 LEU CA . 17620 1 846 . 1 1 102 102 LEU CB C 13 44.697 0.1 . 1 . . . . 102 LEU CB . 17620 1 847 . 1 1 102 102 LEU CG C 13 28.216 0.1 . 1 . . . . 102 LEU CG . 17620 1 848 . 1 1 102 102 LEU CD1 C 13 24.852 0.1 . 2 . . . . 102 LEU CD1 . 17620 1 849 . 1 1 102 102 LEU CD2 C 13 24.385 0.1 . 2 . . . . 102 LEU CD2 . 17620 1 850 . 1 1 102 102 LEU N N 15 123.452 0.1 . 1 . . . . 102 LEU N . 17620 1 851 . 1 1 103 103 LEU H H 1 9.105 0.02 . 1 . . . . 103 LEU H . 17620 1 852 . 1 1 103 103 LEU HA H 1 5.484 0.02 . 1 . . . . 103 LEU HA . 17620 1 853 . 1 1 103 103 LEU HB2 H 1 2.429 0.02 . 2 . . . . 103 LEU HB2 . 17620 1 854 . 1 1 103 103 LEU HB3 H 1 1.432 0.02 . 2 . . . . 103 LEU HB3 . 17620 1 855 . 1 1 103 103 LEU HG H 1 1.294 0.02 . 1 . . . . 103 LEU HG . 17620 1 856 . 1 1 103 103 LEU HD11 H 1 0.955 0.02 . 2 . . . . 103 LEU HD1 . 17620 1 857 . 1 1 103 103 LEU HD12 H 1 0.955 0.02 . 2 . . . . 103 LEU HD1 . 17620 1 858 . 1 1 103 103 LEU HD13 H 1 0.955 0.02 . 2 . . . . 103 LEU HD1 . 17620 1 859 . 1 1 103 103 LEU HD21 H 1 0.687 0.02 . 2 . . . . 103 LEU HD2 . 17620 1 860 . 1 1 103 103 LEU HD22 H 1 0.687 0.02 . 2 . . . . 103 LEU HD2 . 17620 1 861 . 1 1 103 103 LEU HD23 H 1 0.687 0.02 . 2 . . . . 103 LEU HD2 . 17620 1 862 . 1 1 103 103 LEU C C 13 175.535 0.1 . 1 . . . . 103 LEU C . 17620 1 863 . 1 1 103 103 LEU CA C 13 53.871 0.1 . 1 . . . . 103 LEU CA . 17620 1 864 . 1 1 103 103 LEU CB C 13 45.357 0.1 . 1 . . . . 103 LEU CB . 17620 1 865 . 1 1 103 103 LEU CG C 13 28.281 0.1 . 1 . . . . 103 LEU CG . 17620 1 866 . 1 1 103 103 LEU CD1 C 13 26.510 0.1 . 2 . . . . 103 LEU CD1 . 17620 1 867 . 1 1 103 103 LEU CD2 C 13 24.623 0.1 . 2 . . . . 103 LEU CD2 . 17620 1 868 . 1 1 103 103 LEU N N 15 125.152 0.1 . 1 . . . . 103 LEU N . 17620 1 869 . 1 1 104 104 ASP H H 1 9.284 0.02 . 1 . . . . 104 ASP H . 17620 1 870 . 1 1 104 104 ASP HA H 1 5.027 0.02 . 1 . . . . 104 ASP HA . 17620 1 871 . 1 1 104 104 ASP HB2 H 1 2.454 0.02 . 2 . . . . 104 ASP HB2 . 17620 1 872 . 1 1 104 104 ASP HB3 H 1 2.563 0.02 . 2 . . . . 104 ASP HB3 . 17620 1 873 . 1 1 104 104 ASP C C 13 174.771 0.1 . 1 . . . . 104 ASP C . 17620 1 874 . 1 1 104 104 ASP CA C 13 52.989 0.1 . 1 . . . . 104 ASP CA . 17620 1 875 . 1 1 104 104 ASP CB C 13 43.728 0.1 . 1 . . . . 104 ASP CB . 17620 1 876 . 1 1 104 104 ASP N N 15 128.940 0.1 . 1 . . . . 104 ASP N . 17620 1 877 . 1 1 105 105 VAL H H 1 7.441 0.02 . 1 . . . . 105 VAL H . 17620 1 878 . 1 1 105 105 VAL HA H 1 4.798 0.02 . 1 . . . . 105 VAL HA . 17620 1 879 . 1 1 105 105 VAL HB H 1 1.727 0.02 . 1 . . . . 105 VAL HB . 17620 1 880 . 1 1 105 105 VAL HG11 H 1 0.699 0.02 . 2 . . . . 105 VAL HG1 . 17620 1 881 . 1 1 105 105 VAL HG12 H 1 0.699 0.02 . 2 . . . . 105 VAL HG1 . 17620 1 882 . 1 1 105 105 VAL HG13 H 1 0.699 0.02 . 2 . . . . 105 VAL HG1 . 17620 1 883 . 1 1 105 105 VAL HG21 H 1 0.582 0.02 . 2 . . . . 105 VAL HG2 . 17620 1 884 . 1 1 105 105 VAL HG22 H 1 0.582 0.02 . 2 . . . . 105 VAL HG2 . 17620 1 885 . 1 1 105 105 VAL HG23 H 1 0.582 0.02 . 2 . . . . 105 VAL HG2 . 17620 1 886 . 1 1 105 105 VAL C C 13 175.373 0.1 . 1 . . . . 105 VAL C . 17620 1 887 . 1 1 105 105 VAL CA C 13 61.127 0.1 . 1 . . . . 105 VAL CA . 17620 1 888 . 1 1 105 105 VAL CB C 13 33.822 0.1 . 1 . . . . 105 VAL CB . 17620 1 889 . 1 1 105 105 VAL CG1 C 13 20.257 0.1 . 2 . . . . 105 VAL CG1 . 17620 1 890 . 1 1 105 105 VAL CG2 C 13 19.973 0.1 . 2 . . . . 105 VAL CG2 . 17620 1 891 . 1 1 105 105 VAL N N 15 122.381 0.1 . 1 . . . . 105 VAL N . 17620 1 892 . 1 1 106 106 LEU H H 1 8.444 0.02 . 1 . . . . 106 LEU H . 17620 1 893 . 1 1 106 106 LEU HA H 1 4.348 0.02 . 1 . . . . 106 LEU HA . 17620 1 894 . 1 1 106 106 LEU HB2 H 1 1.298 0.02 . 2 . . . . 106 LEU HB . 17620 1 895 . 1 1 106 106 LEU HB3 H 1 1.298 0.02 . 2 . . . . 106 LEU HB . 17620 1 896 . 1 1 106 106 LEU HG H 1 1.417 0.02 . 1 . . . . 106 LEU HG . 17620 1 897 . 1 1 106 106 LEU HD11 H 1 0.636 0.02 . 2 . . . . 106 LEU HD . 17620 1 898 . 1 1 106 106 LEU HD12 H 1 0.636 0.02 . 2 . . . . 106 LEU HD . 17620 1 899 . 1 1 106 106 LEU HD13 H 1 0.636 0.02 . 2 . . . . 106 LEU HD . 17620 1 900 . 1 1 106 106 LEU HD21 H 1 0.636 0.02 . 2 . . . . 106 LEU HD . 17620 1 901 . 1 1 106 106 LEU HD22 H 1 0.636 0.02 . 2 . . . . 106 LEU HD . 17620 1 902 . 1 1 106 106 LEU HD23 H 1 0.636 0.02 . 2 . . . . 106 LEU HD . 17620 1 903 . 1 1 106 106 LEU C C 13 176.854 0.1 . 1 . . . . 106 LEU C . 17620 1 904 . 1 1 106 106 LEU CA C 13 54.210 0.1 . 1 . . . . 106 LEU CA . 17620 1 905 . 1 1 106 106 LEU CB C 13 43.091 0.1 . 1 . . . . 106 LEU CB . 17620 1 906 . 1 1 106 106 LEU CG C 13 26.791 0.1 . 1 . . . . 106 LEU CG . 17620 1 907 . 1 1 106 106 LEU CD1 C 13 24.919 0.1 . 2 . . . . 106 LEU CD1 . 17620 1 908 . 1 1 106 106 LEU CD2 C 13 22.446 0.1 . 2 . . . . 106 LEU CD2 . 17620 1 909 . 1 1 106 106 LEU N N 15 128.231 0.1 . 1 . . . . 106 LEU N . 17620 1 910 . 1 1 107 107 LEU H H 1 8.442 0.02 . 1 . . . . 107 LEU H . 17620 1 911 . 1 1 107 107 LEU HA H 1 4.407 0.02 . 1 . . . . 107 LEU HA . 17620 1 912 . 1 1 107 107 LEU HB2 H 1 1.502 0.02 . 2 . . . . 107 LEU HB . 17620 1 913 . 1 1 107 107 LEU HB3 H 1 1.502 0.02 . 2 . . . . 107 LEU HB . 17620 1 914 . 1 1 107 107 LEU HG H 1 1.584 0.02 . 1 . . . . 107 LEU HG . 17620 1 915 . 1 1 107 107 LEU HD11 H 1 0.875 0.02 . 2 . . . . 107 LEU HD1 . 17620 1 916 . 1 1 107 107 LEU HD12 H 1 0.875 0.02 . 2 . . . . 107 LEU HD1 . 17620 1 917 . 1 1 107 107 LEU HD13 H 1 0.875 0.02 . 2 . . . . 107 LEU HD1 . 17620 1 918 . 1 1 107 107 LEU HD21 H 1 0.801 0.02 . 2 . . . . 107 LEU HD2 . 17620 1 919 . 1 1 107 107 LEU HD22 H 1 0.801 0.02 . 2 . . . . 107 LEU HD2 . 17620 1 920 . 1 1 107 107 LEU HD23 H 1 0.801 0.02 . 2 . . . . 107 LEU HD2 . 17620 1 921 . 1 1 107 107 LEU C C 13 177.247 0.1 . 1 . . . . 107 LEU C . 17620 1 922 . 1 1 107 107 LEU CA C 13 54.671 0.1 . 1 . . . . 107 LEU CA . 17620 1 923 . 1 1 107 107 LEU CB C 13 42.892 0.1 . 1 . . . . 107 LEU CB . 17620 1 924 . 1 1 107 107 LEU CG C 13 27.259 0.1 . 1 . . . . 107 LEU CG . 17620 1 925 . 1 1 107 107 LEU CD1 C 13 24.518 0.1 . 2 . . . . 107 LEU CD1 . 17620 1 926 . 1 1 107 107 LEU CD2 C 13 23.582 0.1 . 2 . . . . 107 LEU CD2 . 17620 1 927 . 1 1 107 107 LEU N N 15 123.596 0.1 . 1 . . . . 107 LEU N . 17620 1 928 . 1 1 108 108 GLU H H 1 8.325 0.02 . 1 . . . . 108 GLU H . 17620 1 929 . 1 1 108 108 GLU HA H 1 4.281 0.02 . 1 . . . . 108 GLU HA . 17620 1 930 . 1 1 108 108 GLU HB2 H 1 1.820 0.02 . 2 . . . . 108 GLU HB . 17620 1 931 . 1 1 108 108 GLU HB3 H 1 1.820 0.02 . 2 . . . . 108 GLU HB . 17620 1 932 . 1 1 108 108 GLU HG2 H 1 1.952 0.02 . 2 . . . . 108 GLU HG . 17620 1 933 . 1 1 108 108 GLU HG3 H 1 1.952 0.02 . 2 . . . . 108 GLU HG . 17620 1 934 . 1 1 108 108 GLU C C 13 176.414 0.1 . 1 . . . . 108 GLU C . 17620 1 935 . 1 1 108 108 GLU CA C 13 56.837 0.1 . 1 . . . . 108 GLU CA . 17620 1 936 . 1 1 108 108 GLU CB C 13 30.379 0.1 . 1 . . . . 108 GLU CB . 17620 1 937 . 1 1 108 108 GLU CG C 13 43.367 0.1 . 1 . . . . 108 GLU CG . 17620 1 938 . 1 1 108 108 GLU N N 15 121.290 0.1 . 1 . . . . 108 GLU N . 17620 1 939 . 1 1 109 109 HIS H H 1 7.331 0.02 . 1 . . . . 109 HIS H . 17620 1 940 . 1 1 109 109 HIS HA H 1 4.744 0.02 . 1 . . . . 109 HIS HA . 17620 1 941 . 1 1 109 109 HIS HB2 H 1 1.364 0.02 . 2 . . . . 109 HIS HB2 . 17620 1 942 . 1 1 109 109 HIS HB3 H 1 1.833 0.02 . 2 . . . . 109 HIS HB3 . 17620 1 943 . 1 1 109 109 HIS C C 13 176.275 0.1 . 1 . . . . 109 HIS C . 17620 1 944 . 1 1 109 109 HIS CA C 13 55.227 0.1 . 1 . . . . 109 HIS CA . 17620 1 945 . 1 1 109 109 HIS CB C 13 33.623 0.1 . 1 . . . . 109 HIS CB . 17620 1 946 . 1 1 109 109 HIS N N 15 117.105 0.1 . 1 . . . . 109 HIS N . 17620 1 947 . 1 1 110 110 HIS H H 1 7.332 0.02 . 1 . . . . 110 HIS H . 17620 1 948 . 1 1 110 110 HIS HA H 1 3.097 0.02 . 1 . . . . 110 HIS HA . 17620 1 949 . 1 1 110 110 HIS HB2 H 1 2.031 0.02 . 2 . . . . 110 HIS HB . 17620 1 950 . 1 1 110 110 HIS HB3 H 1 2.031 0.02 . 2 . . . . 110 HIS HB . 17620 1 951 . 1 1 110 110 HIS C C 13 176.993 0.1 . 1 . . . . 110 HIS C . 17620 1 952 . 1 1 110 110 HIS CA C 13 59.385 0.1 . 1 . . . . 110 HIS CA . 17620 1 953 . 1 1 110 110 HIS CB C 13 30.631 0.1 . 1 . . . . 110 HIS CB . 17620 1 954 . 1 1 110 110 HIS N N 15 119.894 0.1 . 1 . . . . 110 HIS N . 17620 1 955 . 1 1 111 111 HIS H H 1 8.180 0.02 . 1 . . . . 111 HIS H . 17620 1 956 . 1 1 111 111 HIS HA H 1 4.369 0.02 . 1 . . . . 111 HIS HA . 17620 1 957 . 1 1 111 111 HIS HB2 H 1 1.857 0.02 . 2 . . . . 111 HIS HB2 . 17620 1 958 . 1 1 111 111 HIS HB3 H 1 1.658 0.02 . 2 . . . . 111 HIS HB3 . 17620 1 959 . 1 1 111 111 HIS CA C 13 56.594 0.1 . 1 . . . . 111 HIS CA . 17620 1 960 . 1 1 111 111 HIS CB C 13 31.268 0.1 . 1 . . . . 111 HIS CB . 17620 1 961 . 1 1 111 111 HIS N N 15 120.215 0.1 . 1 . . . . 111 HIS N . 17620 1 962 . 1 1 112 112 HIS H H 1 8.422 0.02 . 1 . . . . 112 HIS H . 17620 1 963 . 1 1 112 112 HIS HA H 1 4.492 0.02 . 1 . . . . 112 HIS HA . 17620 1 964 . 1 1 112 112 HIS HB2 H 1 3.050 0.02 . 2 . . . . 112 HIS HB . 17620 1 965 . 1 1 112 112 HIS HB3 H 1 3.050 0.02 . 2 . . . . 112 HIS HB . 17620 1 966 . 1 1 112 112 HIS C C 13 174.424 0.1 . 1 . . . . 112 HIS C . 17620 1 967 . 1 1 112 112 HIS CA C 13 56.017 0.1 . 1 . . . . 112 HIS CA . 17620 1 968 . 1 1 112 112 HIS CB C 13 29.187 0.1 . 1 . . . . 112 HIS CB . 17620 1 969 . 1 1 112 112 HIS N N 15 119.747 0.1 . 1 . . . . 112 HIS N . 17620 1 970 . 1 1 113 113 HIS H H 1 8.170 0.02 . 1 . . . . 113 HIS H . 17620 1 971 . 1 1 113 113 HIS HA H 1 4.361 0.02 . 1 . . . . 113 HIS HA . 17620 1 972 . 1 1 113 113 HIS HB2 H 1 3.158 0.02 . 2 . . . . 113 HIS HB2 . 17620 1 973 . 1 1 113 113 HIS HB3 H 1 3.014 0.02 . 2 . . . . 113 HIS HB3 . 17620 1 974 . 1 1 113 113 HIS CA C 13 57.828 0.1 . 1 . . . . 113 HIS CA . 17620 1 975 . 1 1 113 113 HIS CB C 13 30.631 0.1 . 1 . . . . 113 HIS CB . 17620 1 976 . 1 1 113 113 HIS N N 15 125.021 0.1 . 1 . . . . 113 HIS N . 17620 1 stop_ save_